diff --git a/MCdata/124d_MC b/MCdata/124d_MC
new file mode 100644
index 0000000000000000000000000000000000000000..f841ad838986ec8f5aeca0155a672739130ec2df
--- /dev/null
+++ b/MCdata/124d_MC
@@ -0,0 +1,45 @@
+Residue conformations -------------------------------------------
+A1 : G C1p_exo anti
+A2 : T O4p_endo anti
+A3 : C O4p_endo anti
+A4 : A C1p_exo anti
+A5 : C O4p_endo anti
+A6 : A C1p_exo anti
+A7 : T C1p_exo anti
+A8 : G O4p_endo anti
+B9 : C C3p_endo anti
+B10 : A C3p_endo anti
+B11 : U C3p_endo anti
+B12 : G C3p_endo anti
+B13 : U C2p_exo anti
+B14 : G C3p_endo anti
+B15 : A C3p_endo anti
+B16 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+B9-B10 : adjacent_5p upward 
+B10-B11 : adjacent_5p upward 
+B12-B13 : adjacent_5p upward 
+B14-B15 : adjacent_5p upward 
+B15-B16 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-B14 : outward 
+A6-B12 : outward 
+A8-B10 : outward 
+Number of stackings = 14
+Number of adjacent stackings = 11
+Number of non adjacent stackings = 3
+Base-pairs ------------------------------------------------------
+A1-B16 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-B15 : T-A Ww/Ww pairing antiparallel cis 
+A3-B14 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-B13 : A-U Ww/Ww pairing antiparallel cis XX 
+A5-B12 : C-G Ww/Ww pairing antiparallel cis XIX 
+A6-B11 : A-U Ww/Ww pairing antiparallel cis XX 
+A7-B10 : T-A Ww/Ww pairing antiparallel cis 
+A8-B9 : G-C Ww/Ww pairing antiparallel cis XIX 
diff --git a/MCdata/157d_MC b/MCdata/157d_MC
new file mode 100644
index 0000000000000000000000000000000000000000..40f19fffbf3225fb4ac69e3f371e1ac2171879ba
--- /dev/null
+++ b/MCdata/157d_MC
@@ -0,0 +1,162 @@
+Residue conformations -------------------------------------------
+A1 : C C3p_endo anti
+A2 : G C3p_endo anti
+A3 : C C3p_endo anti
+A4 : G C3p_endo anti
+A5 : A C4p_exo anti
+A6 : A C3p_endo anti
+A7 : U C3p_endo anti
+A8 : U C2p_exo anti
+A9 : A C3p_endo anti
+A10 : G C3p_endo anti
+A11 : C C3p_endo anti
+A12 : G C3p_endo anti
+B13 : C C2p_exo anti
+B14 : G C3p_endo anti
+B15 : C C2p_exo anti
+B16 : G C3p_endo anti
+B17 : A C3p_endo anti
+B18 : A C2p_exo anti
+B19 : U C4p_exo anti
+B20 : U C3p_endo anti
+B21 : A C3p_endo anti
+B22 : G C3p_endo anti
+B23 : C C3p_endo anti
+B24 : G C3p_endo anti
+A25 : HOH
+A26 : HOH
+A31 : HOH
+A33 : HOH
+A42 : HOH
+A43 : HOH
+A44 : HOH
+A45 : HOH
+A46 : HOH
+A47 : HOH
+A48 : HOH
+A49 : HOH
+A50 : HOH
+A51 : HOH
+A52 : HOH
+A53 : HOH
+A56 : HOH
+A61 : HOH
+A62 : HOH
+A70 : HOH
+A75 : HOH
+A76 : HOH
+A77 : HOH
+A78 : HOH
+A80 : HOH
+A81 : HOH
+A82 : HOH
+A83 : HOH
+A84 : HOH
+A85 : HOH
+A86 : HOH
+A87 : HOH
+A88 : HOH
+A89 : HOH
+A91 : HOH
+A94 : HOH
+A96 : HOH
+A98 : HOH
+A99 : HOH
+A100 : HOH
+A103 : HOH
+A104 : HOH
+A105 : HOH
+A106 : HOH
+A107 : HOH
+A111 : HOH
+A112 : HOH
+A113 : HOH
+A114 : HOH
+A116 : HOH
+A117 : HOH
+A120 : HOH
+A121 : HOH
+B27 : HOH
+B28 : HOH
+B29 : HOH
+B30 : HOH
+B32 : HOH
+B34 : HOH
+B35 : HOH
+B36 : HOH
+B37 : HOH
+B38 : HOH
+B39 : HOH
+B40 : HOH
+B41 : HOH
+B54 : HOH
+B55 : HOH
+B57 : HOH
+B58 : HOH
+B59 : HOH
+B60 : HOH
+B63 : HOH
+B64 : HOH
+B65 : HOH
+B66 : HOH
+B67 : HOH
+B68 : HOH
+B69 : HOH
+B71 : HOH
+B72 : HOH
+B73 : HOH
+B74 : HOH
+B79 : HOH
+B90 : HOH
+B92 : HOH
+B93 : HOH
+B95 : HOH
+B97 : HOH
+B101 : HOH
+B102 : HOH
+B108 : HOH
+B109 : HOH
+B110 : HOH
+B115 : HOH
+B118 : HOH
+B119 : HOH
+Adjacent stackings ----------------------------------------------
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+B14-B15 : adjacent_5p upward 
+B15-B16 : adjacent_5p upward 
+B16-B17 : adjacent_5p upward 
+B17-B18 : adjacent_5p upward 
+B18-B19 : adjacent_5p upward 
+B19-B20 : adjacent_5p upward 
+B20-B21 : adjacent_5p upward 
+B21-B22 : adjacent_5p upward 
+B22-B23 : adjacent_5p upward 
+B23-B24 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A2-B24 : outward 
+A12-B14 : outward 
+Number of stackings = 22
+Number of adjacent stackings = 20
+Number of non adjacent stackings = 2
+Base-pairs ------------------------------------------------------
+A1-B24 : C-G Ww/Ww pairing antiparallel cis XIX 
+A2-B23 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-B22 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-B21 : G-A Ww/Ww pairing antiparallel cis VIII 
+A5-B20 : A-U Ww/Ww pairing antiparallel cis XX 
+A6-B19 : A-U Ww/Ww pairing antiparallel cis XX 
+A7-B18 : U-A Ww/Ww pairing antiparallel cis XX 
+A8-B17 : U-A Ww/Ww pairing antiparallel cis XX 
+A9-B16 : A-G Ww/Ww pairing antiparallel cis VIII 
+A10-B15 : G-C Ww/Ww pairing antiparallel cis XIX 
+A11-B14 : C-G Ww/Ww pairing antiparallel cis XIX 
+A12-B13 : G-C Ww/Ww pairing antiparallel cis XIX 
diff --git a/MCdata/165d_MC b/MCdata/165d_MC
new file mode 100644
index 0000000000000000000000000000000000000000..1f11523fe7c32ecd0ca67872e030d2dc2bcc5f8f
--- /dev/null
+++ b/MCdata/165d_MC
@@ -0,0 +1,103 @@
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : C C3p_endo anti
+A3 : U C3p_endo anti
+A4 : U C3p_endo anti
+A5 : C C3p_endo anti
+A6 : G C3p_endo anti
+A7 : G C3p_endo anti
+A8 : C C3p_endo anti
+A9 : BRU
+B10 : G C3p_endo anti
+B11 : C C3p_endo anti
+B12 : U C3p_endo anti
+B13 : U C2p_exo anti
+B14 : C C3p_endo anti
+B15 : G C3p_endo anti
+B16 : G C3p_endo anti
+B17 : C C3p_endo anti
+B18 : BRU
+A19 : RHD
+A20 : RHD
+A22 : RHD
+B21 : RHD
+A23 : HOH
+A25 : HOH
+A26 : HOH
+A27 : HOH
+A28 : HOH
+A29 : HOH
+A30 : HOH
+A31 : HOH
+A33 : HOH
+A35 : HOH
+A36 : HOH
+A37 : HOH
+A38 : HOH
+A41 : HOH
+A43 : HOH
+A47 : HOH
+A48 : HOH
+A51 : HOH
+A53 : HOH
+A54 : HOH
+A56 : HOH
+A57 : HOH
+A59 : HOH
+A60 : HOH
+A61 : HOH
+A63 : HOH
+A64 : HOH
+A65 : HOH
+A66 : HOH
+A73 : HOH
+A74 : HOH
+B24 : HOH
+B32 : HOH
+B34 : HOH
+B39 : HOH
+B40 : HOH
+B42 : HOH
+B44 : HOH
+B45 : HOH
+B46 : HOH
+B49 : HOH
+B50 : HOH
+B52 : HOH
+B55 : HOH
+B58 : HOH
+B62 : HOH
+B67 : HOH
+B68 : HOH
+B69 : HOH
+B70 : HOH
+B71 : HOH
+B72 : HOH
+B75 : HOH
+B76 : HOH
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+B10-B11 : adjacent_5p upward 
+B11-B12 : adjacent_5p upward 
+B13-B14 : adjacent_5p upward 
+B14-B15 : adjacent_5p upward 
+B15-B16 : adjacent_5p upward 
+B16-B17 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 12
+Number of adjacent stackings = 12
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A1-B17 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-B16 : C-G Ww/Ww pairing antiparallel cis XIX 
+A3-B15 : U-G Ws/Ww pairing antiparallel cis XXVIII 
+A4-B14 : U-C Wh/Wh pairing antiparallel cis one_hbond 
+A5-B13 : C-U Wh/Wh pairing antiparallel cis one_hbond 
+A6-B12 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+A7-B11 : G-C Ww/Ww pairing antiparallel cis XIX 
+A8-B10 : C-G Ww/Ww pairing antiparallel cis XIX 
diff --git a/MCdata/176d_MC b/MCdata/176d_MC
new file mode 100644
index 0000000000000000000000000000000000000000..53aaf008b2a59b09423466df8ec74ee3bec3e4ef
--- /dev/null
+++ b/MCdata/176d_MC
@@ -0,0 +1,239 @@
+Residue conformations -------------------------------------------
+A1 : GPN
+A2 : APN
+A3 : APN
+A4 : CPN
+A5 : TPN
+A6 : CPN
+B7 : G C2p_exo anti
+B8 : A C2p_exo anti
+B9 : G C3p_endo anti
+B10 : U C3p_endo anti
+B11 : U C3p_endo anti
+B12 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+B7-B8 : adjacent_5p upward 
+B8-B9 : adjacent_5p upward 
+B9-B10 : adjacent_5p upward 
+B11-B12 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 4
+Number of adjacent stackings = 4
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A1-B12 : GPN-C pairing parallel one_hbond 
+Residue conformations -------------------------------------------
+A1 : GPN
+A2 : APN
+A3 : APN
+A4 : CPN
+A5 : TPN
+A6 : CPN
+B7 : G C2p_exo anti
+B8 : A C3p_endo anti
+B9 : G C3p_endo anti
+B10 : U C3p_endo anti
+B11 : U C3p_endo anti
+B12 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+B7-B8 : adjacent_5p upward 
+B8-B9 : adjacent_5p upward 
+B9-B10 : adjacent_5p upward 
+B11-B12 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 4
+Number of adjacent stackings = 4
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A1-B12 : GPN-C pairing parallel one_hbond 
+Residue conformations -------------------------------------------
+A1 : GPN
+A2 : APN
+A3 : APN
+A4 : CPN
+A5 : TPN
+A6 : CPN
+B7 : G C2p_exo anti
+B8 : A C3p_endo anti
+B9 : G C3p_endo anti
+B10 : U C3p_endo anti
+B11 : U C3p_endo anti
+B12 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+B7-B8 : adjacent_5p upward 
+B8-B9 : adjacent_5p upward 
+B9-B10 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 3
+Number of adjacent stackings = 3
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A1-B12 : GPN-C pairing parallel one_hbond 
+Residue conformations -------------------------------------------
+A1 : GPN
+A2 : APN
+A3 : APN
+A4 : CPN
+A5 : TPN
+A6 : CPN
+B7 : G C2p_exo anti
+B8 : A C3p_endo anti
+B9 : G C2p_exo anti
+B10 : U C3p_endo anti
+B11 : U C3p_endo anti
+B12 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+B7-B8 : adjacent_5p upward 
+B8-B9 : adjacent_5p upward 
+B9-B10 : adjacent_5p upward 
+B11-B12 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 4
+Number of adjacent stackings = 4
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A1-B12 : GPN-C pairing parallel one_hbond 
+Residue conformations -------------------------------------------
+A1 : GPN
+A2 : APN
+A3 : APN
+A4 : CPN
+A5 : TPN
+A6 : CPN
+B7 : G C2p_exo anti
+B8 : A C3p_endo anti
+B9 : G C2p_exo anti
+B10 : U C3p_endo anti
+B11 : U C3p_endo anti
+B12 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+B7-B8 : adjacent_5p upward 
+B8-B9 : adjacent_5p upward 
+B9-B10 : adjacent_5p upward 
+B10-B11 : adjacent_5p upward 
+B11-B12 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 5
+Number of adjacent stackings = 5
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A1-B12 : GPN-C pairing parallel one_hbond 
+Residue conformations -------------------------------------------
+A1 : GPN
+A2 : APN
+A3 : APN
+A4 : CPN
+A5 : TPN
+A6 : CPN
+B7 : G C2p_exo anti
+B8 : A C3p_endo anti
+B9 : G C2p_exo anti
+B10 : U C3p_endo anti
+B11 : U C3p_endo anti
+B12 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+B7-B8 : adjacent_5p upward 
+B8-B9 : adjacent_5p upward 
+B9-B10 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 3
+Number of adjacent stackings = 3
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A1-B12 : GPN-C pairing parallel one_hbond 
+Residue conformations -------------------------------------------
+A1 : GPN
+A2 : APN
+A3 : APN
+A4 : CPN
+A5 : TPN
+A6 : CPN
+B7 : G C2p_exo anti
+B8 : A C3p_endo anti
+B9 : G C3p_endo anti
+B10 : U C3p_endo anti
+B11 : U C3p_endo anti
+B12 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+B7-B8 : adjacent_5p upward 
+B8-B9 : adjacent_5p upward 
+B9-B10 : adjacent_5p upward 
+B11-B12 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 4
+Number of adjacent stackings = 4
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A1-B12 : GPN-C pairing parallel one_hbond 
+Residue conformations -------------------------------------------
+A1 : GPN
+A2 : APN
+A3 : APN
+A4 : CPN
+A5 : TPN
+A6 : CPN
+B7 : G C2p_exo anti
+B8 : A C3p_endo anti
+B9 : G C2p_exo anti
+B10 : U C3p_endo anti
+B11 : U C3p_endo anti
+B12 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+B7-B8 : adjacent_5p upward 
+B8-B9 : adjacent_5p upward 
+B9-B10 : adjacent_5p upward 
+B10-B11 : adjacent_5p upward 
+B11-B12 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 5
+Number of adjacent stackings = 5
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A1-B12 : GPN-C pairing parallel one_hbond 
+Residue conformations -------------------------------------------
+A1 : GPN
+A2 : APN
+A3 : APN
+A4 : CPN
+A5 : TPN
+A6 : CPN
+B7 : G C2p_exo anti
+B8 : A C3p_endo anti
+B9 : G C3p_endo anti
+B10 : U C3p_endo anti
+B11 : U C3p_endo anti
+B12 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+B7-B8 : adjacent_5p upward 
+B8-B9 : adjacent_5p upward 
+B9-B10 : adjacent_5p upward 
+B11-B12 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 4
+Number of adjacent stackings = 4
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A1-B12 : GPN-C pairing parallel one_hbond 
+Residue conformations -------------------------------------------
+A1 : GPN
+A2 : APN
+A3 : APN
+A4 : CPN
+A5 : TPN
+A6 : CPN
+B7 : G C2p_exo anti
+B8 : A C2p_exo anti
+B9 : G C3p_endo anti
+B10 : U C3p_endo anti
+B11 : U C3p_endo anti
+B12 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+B7-B8 : adjacent_5p upward 
+B8-B9 : adjacent_5p upward 
+B9-B10 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 3
+Number of adjacent stackings = 3
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A1-B12 : GPN-C pairing parallel one_hbond 
diff --git a/MCdata/17ra_MC b/MCdata/17ra_MC
new file mode 100644
index 0000000000000000000000000000000000000000..3653fe4dd70e4c1c6a825769dbee4cb8f7879747
--- /dev/null
+++ b/MCdata/17ra_MC
@@ -0,0 +1,571 @@
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : C C3p_endo anti
+A4 : G C3p_endo anti
+A5 : U C3p_endo anti
+A6 : A O4p_endo anti
+A7 : A C3p_endo anti
+A8 : G C3p_endo anti
+A9 : G C3p_endo anti
+A10 : A C3p_endo anti
+A11 : U C3p_exo anti
+A12 : U C3p_exo anti
+A13 : A C3p_exo anti
+A14 : C C3p_endo anti
+A15 : C C3p_endo anti
+A16 : U C3p_endo anti
+A17 : A C3p_endo anti
+A18 : U C3p_endo anti
+A19 : G C3p_endo anti
+A20 : C C3p_endo anti
+A21 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-A19 : outward 
+A6-A17 : outward 
+A9-A15 : outward 
+Number of stackings = 12
+Number of adjacent stackings = 9
+Number of non adjacent stackings = 3
+Base-pairs ------------------------------------------------------
+A1-A21 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A20 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A19 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-A18 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+A5-A17 : U-A Ww/Ww pairing antiparallel cis XX 
+A8-A15 : G-C Ww/Ww pairing antiparallel cis XIX 
+A9-A14 : G-C Ww/Ww pairing antiparallel cis 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : C C3p_endo anti
+A4 : G C3p_endo anti
+A5 : U C3p_endo anti
+A6 : A C4p_exo anti
+A7 : A C3p_endo anti
+A8 : G C3p_endo anti
+A9 : G C3p_endo anti
+A10 : A C3p_endo anti
+A11 : U C3p_exo anti
+A12 : U C3p_exo anti
+A13 : A C3p_exo anti
+A14 : C C3p_endo anti
+A15 : C C3p_endo anti
+A16 : U C3p_endo anti
+A17 : A C3p_endo anti
+A18 : U C3p_endo anti
+A19 : G C3p_endo anti
+A20 : C C3p_endo anti
+A21 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-A19 : outward 
+A6-A17 : outward 
+A9-A15 : outward 
+Number of stackings = 11
+Number of adjacent stackings = 8
+Number of non adjacent stackings = 3
+Base-pairs ------------------------------------------------------
+A1-A21 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A20 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A19 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-A18 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+A5-A17 : U-A Ww/Ww pairing antiparallel cis XX 
+A8-A15 : G-C Ww/Ww pairing antiparallel cis XIX 
+A9-A14 : G-C Ww/Ww pairing antiparallel cis XIX 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : C C3p_endo anti
+A4 : G C3p_endo anti
+A5 : U C3p_endo anti
+A6 : A C4p_exo anti
+A7 : A C3p_endo anti
+A8 : G C3p_endo anti
+A9 : G C3p_endo anti
+A10 : A C3p_endo anti
+A11 : U C3p_exo anti
+A12 : U C3p_exo anti
+A13 : A C3p_exo anti
+A14 : C C3p_endo anti
+A15 : C C3p_endo anti
+A16 : U C3p_endo anti
+A17 : A C3p_endo anti
+A18 : U C3p_endo anti
+A19 : G C3p_endo anti
+A20 : C C3p_endo anti
+A21 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-A19 : outward 
+A6-A17 : outward 
+A9-A15 : outward 
+Number of stackings = 12
+Number of adjacent stackings = 9
+Number of non adjacent stackings = 3
+Base-pairs ------------------------------------------------------
+A1-A21 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A20 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A19 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-A18 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+A5-A17 : U-A Ww/Ww pairing antiparallel cis XX 
+A8-A15 : G-C Ww/Ww pairing antiparallel cis XIX 
+A9-A14 : G-C Ww/Ww pairing antiparallel cis XIX 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : C C3p_endo anti
+A4 : G C3p_endo anti
+A5 : U C3p_endo anti
+A6 : A C4p_exo anti
+A7 : A C3p_endo anti
+A8 : G C3p_endo anti
+A9 : G C3p_endo anti
+A10 : A C3p_endo anti
+A11 : U C3p_exo anti
+A12 : U C3p_exo anti
+A13 : A C3p_exo anti
+A14 : C C3p_endo anti
+A15 : C C3p_endo anti
+A16 : U C3p_endo anti
+A17 : A C3p_endo anti
+A18 : U C3p_endo anti
+A19 : G C3p_endo anti
+A20 : C C3p_endo anti
+A21 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-A19 : outward 
+A6-A17 : outward 
+Number of stackings = 13
+Number of adjacent stackings = 11
+Number of non adjacent stackings = 2
+Base-pairs ------------------------------------------------------
+A1-A21 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A20 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A19 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-A18 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+A5-A17 : U-A Ww/Ww pairing antiparallel cis XX 
+A8-A15 : G-C Ww/Ww pairing antiparallel cis XIX 
+A9-A14 : G-C Ww/Ww pairing antiparallel cis 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : C C3p_endo anti
+A4 : G C3p_endo anti
+A5 : U C3p_endo anti
+A6 : A O4p_endo anti
+A7 : A C3p_endo anti
+A8 : G C3p_endo anti
+A9 : G C3p_endo anti
+A10 : A C3p_endo anti
+A11 : U C3p_exo anti
+A12 : U C3p_exo anti
+A13 : A C3p_exo anti
+A14 : C C3p_endo anti
+A15 : C C3p_endo anti
+A16 : U C3p_endo anti
+A17 : A C3p_endo anti
+A18 : U C3p_endo anti
+A19 : G C3p_endo anti
+A20 : C C3p_endo anti
+A21 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-A19 : outward 
+A6-A17 : outward 
+A9-A15 : outward 
+Number of stackings = 13
+Number of adjacent stackings = 10
+Number of non adjacent stackings = 3
+Base-pairs ------------------------------------------------------
+A1-A21 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A20 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A19 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-A18 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+A5-A17 : U-A Ww/Ww pairing antiparallel cis XX 
+A8-A15 : G-C Ww/Ww pairing antiparallel cis XIX 
+A9-A14 : G-C Ww/Ww pairing antiparallel cis 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : C C3p_endo anti
+A4 : G C3p_endo anti
+A5 : U C3p_endo anti
+A6 : A O4p_endo anti
+A7 : A C3p_endo anti
+A8 : G C3p_endo anti
+A9 : G C3p_endo anti
+A10 : A C3p_endo anti
+A11 : U C3p_exo anti
+A12 : U C3p_exo anti
+A13 : A C3p_exo anti
+A14 : C C3p_endo anti
+A15 : C C3p_endo anti
+A16 : U C3p_endo anti
+A17 : A C3p_endo anti
+A18 : U C3p_endo anti
+A19 : G C3p_endo anti
+A20 : C C3p_endo anti
+A21 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-A19 : outward 
+A6-A17 : outward 
+Number of stackings = 11
+Number of adjacent stackings = 9
+Number of non adjacent stackings = 2
+Base-pairs ------------------------------------------------------
+A1-A21 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A20 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A19 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-A18 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+A5-A17 : U-A Ww/Ww pairing antiparallel cis XX 
+A8-A15 : G-C Ww/Ww pairing antiparallel cis XIX 
+A9-A14 : G-C Ww/Ww pairing antiparallel cis 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : C C3p_endo anti
+A4 : G C3p_endo anti
+A5 : U C3p_endo anti
+A6 : A C3p_endo anti
+A7 : A C3p_endo anti
+A8 : G C3p_endo anti
+A9 : G C3p_endo anti
+A10 : A C3p_endo anti
+A11 : U C3p_exo anti
+A12 : U C3p_exo anti
+A13 : A C3p_exo anti
+A14 : C C3p_endo anti
+A15 : C C3p_endo anti
+A16 : U C3p_endo anti
+A17 : A C3p_endo anti
+A18 : U C3p_endo anti
+A19 : G C3p_endo anti
+A20 : C C3p_endo anti
+A21 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-A19 : outward 
+A6-A17 : outward 
+Number of stackings = 12
+Number of adjacent stackings = 10
+Number of non adjacent stackings = 2
+Base-pairs ------------------------------------------------------
+A1-A21 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A20 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A19 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-A18 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+A5-A17 : U-A Ww/Ww pairing antiparallel cis XX 
+A6-A16 : A-U Ww/Ww pairing antiparallel cis XX 
+A8-A15 : G-C Ww/Ww pairing antiparallel cis XIX 
+A9-A14 : G-C Ww/Ww pairing antiparallel cis XIX 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : C C3p_endo anti
+A4 : G C3p_endo anti
+A5 : U C3p_endo anti
+A6 : A C3p_endo anti
+A7 : A C3p_endo anti
+A8 : G C3p_endo anti
+A9 : G C3p_endo anti
+A10 : A C3p_endo anti
+A11 : U C3p_exo anti
+A12 : U C3p_exo anti
+A13 : A C3p_exo anti
+A14 : C C3p_endo anti
+A15 : C C3p_endo anti
+A16 : U C3p_endo anti
+A17 : A C3p_endo anti
+A18 : U C3p_endo anti
+A19 : G C3p_endo anti
+A20 : C C3p_endo anti
+A21 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-A19 : outward 
+A6-A17 : outward 
+Number of stackings = 13
+Number of adjacent stackings = 11
+Number of non adjacent stackings = 2
+Base-pairs ------------------------------------------------------
+A1-A21 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A20 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A19 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-A18 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+A5-A17 : U-A Ww/Ww pairing antiparallel cis XX 
+A6-A16 : A-U Ww/Ww pairing antiparallel cis XX 
+A8-A15 : G-C Ww/Ww pairing antiparallel cis XIX 
+A9-A14 : G-C Ww/Ww pairing antiparallel cis 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : C C3p_endo anti
+A4 : G C3p_endo anti
+A5 : U C3p_endo anti
+A6 : A C3p_endo anti
+A7 : A C3p_endo anti
+A8 : G C3p_endo anti
+A9 : G C3p_endo anti
+A10 : A C3p_endo anti
+A11 : U C3p_exo anti
+A12 : U C3p_exo anti
+A13 : A C3p_exo anti
+A14 : C C3p_endo anti
+A15 : C C3p_endo anti
+A16 : U C3p_endo anti
+A17 : A C3p_endo anti
+A18 : U C3p_endo anti
+A19 : G C3p_endo anti
+A20 : C C3p_endo anti
+A21 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-A19 : outward 
+A6-A17 : outward 
+Number of stackings = 12
+Number of adjacent stackings = 10
+Number of non adjacent stackings = 2
+Base-pairs ------------------------------------------------------
+A1-A21 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A20 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A19 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-A18 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+A5-A17 : U-A Ww/Ww pairing antiparallel cis XX 
+A6-A16 : A-U Ww/Ww pairing antiparallel cis XX 
+A8-A15 : G-C Ww/Ww pairing antiparallel cis XIX 
+A9-A14 : G-C Ww/Ww pairing antiparallel cis 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : C C3p_endo anti
+A4 : G C3p_endo anti
+A5 : U C3p_endo anti
+A6 : A C3p_endo anti
+A7 : A C3p_endo anti
+A8 : G C3p_endo anti
+A9 : G C3p_endo anti
+A10 : A C3p_endo anti
+A11 : U C3p_exo anti
+A12 : U C3p_exo anti
+A13 : A C3p_exo anti
+A14 : C C3p_endo anti
+A15 : C C3p_endo anti
+A16 : U C3p_endo anti
+A17 : A C3p_endo anti
+A18 : U C3p_endo anti
+A19 : G C3p_endo anti
+A20 : C C3p_endo anti
+A21 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-A19 : outward 
+A6-A17 : outward 
+Number of stackings = 12
+Number of adjacent stackings = 10
+Number of non adjacent stackings = 2
+Base-pairs ------------------------------------------------------
+A1-A21 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A20 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A19 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-A18 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+A5-A17 : U-A Ww/Ww pairing antiparallel cis XX 
+A6-A16 : A-U Ww/Ww pairing antiparallel cis XX 
+A8-A15 : G-C Ww/Ww pairing antiparallel cis XIX 
+A9-A14 : G-C Ww/Ww pairing antiparallel cis 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : C C3p_endo anti
+A4 : G C3p_endo anti
+A5 : U C3p_endo anti
+A6 : A C3p_endo anti
+A7 : A C3p_endo anti
+A8 : G C3p_endo anti
+A9 : G C3p_endo anti
+A10 : A C3p_endo anti
+A11 : U C3p_exo anti
+A12 : U C3p_exo anti
+A13 : A C3p_exo anti
+A14 : C C3p_endo anti
+A15 : C C3p_endo anti
+A16 : U C3p_endo anti
+A17 : A C3p_endo anti
+A18 : U C3p_endo anti
+A19 : G C3p_endo anti
+A20 : C C3p_endo anti
+A21 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-A19 : outward 
+A6-A17 : outward 
+Number of stackings = 12
+Number of adjacent stackings = 10
+Number of non adjacent stackings = 2
+Base-pairs ------------------------------------------------------
+A1-A21 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A20 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A19 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-A18 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+A5-A17 : U-A Ww/Ww pairing antiparallel cis XX 
+A6-A16 : A-U Ww/Ww pairing antiparallel cis XX 
+A8-A15 : G-C Ww/Ww pairing antiparallel cis XIX 
+A9-A14 : G-C Ww/Ww pairing antiparallel cis 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : C C3p_endo anti
+A4 : G C3p_endo anti
+A5 : U C3p_endo anti
+A6 : A C3p_endo anti
+A7 : A C3p_endo anti
+A8 : G C3p_endo anti
+A9 : G C3p_endo anti
+A10 : A C3p_endo anti
+A11 : U C3p_exo anti
+A12 : U C3p_exo anti
+A13 : A C3p_exo anti
+A14 : C C3p_endo anti
+A15 : C C3p_endo anti
+A16 : U C3p_endo anti
+A17 : A C3p_endo anti
+A18 : U C3p_endo anti
+A19 : G C3p_endo anti
+A20 : C C3p_endo anti
+A21 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-A19 : outward 
+A6-A17 : outward 
+Number of stackings = 12
+Number of adjacent stackings = 10
+Number of non adjacent stackings = 2
+Base-pairs ------------------------------------------------------
+A1-A21 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A20 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A19 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-A18 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+A5-A17 : U-A Ww/Ww pairing antiparallel cis XX 
+A6-A16 : A-U Ww/Ww pairing antiparallel cis XX 
+A8-A15 : G-C Ww/Ww pairing antiparallel cis XIX 
+A9-A14 : G-C Ww/Ww pairing antiparallel cis XIX 
diff --git a/MCdata/1a1t_MC b/MCdata/1a1t_MC
new file mode 100644
index 0000000000000000000000000000000000000000..9904d7d6fab8775c47ce93e61809444fb3cc470f
--- /dev/null
+++ b/MCdata/1a1t_MC
@@ -0,0 +1,2627 @@
+Residue conformations -------------------------------------------
+B201 : G C2p_exo anti
+B202 : G C2p_exo anti
+B203 : A C3p_endo anti
+B204 : C O4p_exo anti
+B205 : U C3p_endo anti
+B206 : A C3p_endo anti
+B207 : G C3p_endo anti
+B208 : C O4p_exo anti
+B209 : G O4p_exo anti
+B210 : G C4p_endo anti
+B211 : A C2p_endo anti
+B212 : G O4p_endo anti
+B213 : G C2p_exo anti
+B214 : C C2p_exo anti
+B215 : U C4p_exo anti
+B216 : A C4p_exo anti
+B217 : G C4p_exo anti
+B218 : U C3p_endo anti
+B219 : C C3p_endo anti
+B220 : C C3p_endo anti
+A1 : MET
+A2 : GLN
+A3 : LYS
+A4 : GLY
+A5 : ASN
+A6 : PHE
+A7 : ARG
+A8 : ASN
+A9 : GLN
+A10 : ARG
+A11 : LYS
+A12 : THR
+A13 : VAL
+A14 : LYS
+A15 : CYS
+A16 : PHE
+A17 : ASN
+A18 : CYS
+A19 : GLY
+A20 : LYS
+A21 : GLU
+A22 : GLY
+A23 : HIS
+A24 : ILE
+A25 : ALA
+A26 : LYS
+A27 : ASN
+A28 : CYS
+A29 : ARG
+A30 : ALA
+A31 : PRO
+A32 : ARG
+A33 : LYS
+A34 : LYS
+A35 : GLY
+A36 : CYS
+A37 : TRP
+A38 : LYS
+A39 : CYS
+A40 : GLY
+A41 : LYS
+A42 : GLU
+A43 : GLY
+A44 : HIS
+A45 : GLN
+A46 : MET
+A47 : LYS
+A48 : ASP
+A49 : CYS
+A50 : THR
+A51 : GLU
+A52 : ARG
+A53 : GLN
+A54 : ALA
+A55 : ASN
+A56 : ZN
+A57 : ZN
+Adjacent stackings ----------------------------------------------
+B201-B202 : adjacent_5p upward 
+B202-B203 : adjacent_5p upward 
+B203-B204 : adjacent_5p upward 
+B204-B205 : adjacent_5p upward 
+B205-B206 : adjacent_5p upward 
+B206-B207 : adjacent_5p upward 
+B207-B208 : adjacent_5p upward 
+B213-B214 : adjacent_5p upward 
+B214-B215 : adjacent_5p upward 
+B216-B217 : adjacent_5p upward 
+B217-B218 : adjacent_5p upward 
+B218-B219 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 12
+Number of adjacent stackings = 12
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A32-B211 : ARG-A pairing one_hbond 
+A46-B210 : MET-G pairing one_hbond 
+B201-B220 : G-C Ww/Ww pairing antiparallel cis XIX 
+B202-B219 : G-C Ww/Ww pairing antiparallel cis XIX 
+B203-B218 : A-U Ww/Ww pairing antiparallel cis XX 
+B204-B217 : C-G Ww/Ww pairing antiparallel cis XIX 
+B205-B216 : U-A Ww/Ww pairing antiparallel cis XX 
+B206-B215 : A-U Ww/Ww pairing antiparallel cis XX 
+B207-B214 : G-C Ww/Ww pairing antiparallel cis 
+B208-B213 : C-G Ww/Ww pairing antiparallel cis XIX 
+Residue conformations -------------------------------------------
+B201 : G C3p_endo anti
+B202 : G C3p_endo anti
+B203 : A C3p_endo anti
+B204 : C C3p_endo anti
+B205 : U C4p_exo anti
+B206 : A C4p_exo anti
+B207 : G C4p_exo anti
+B208 : C C3p_endo anti
+B209 : G C3p_endo anti
+B210 : G C4p_endo anti
+B211 : A C2p_endo anti
+B212 : G C3p_endo anti
+B213 : G C2p_exo anti
+B214 : C C2p_exo anti
+B215 : U C4p_endo anti
+B216 : A C4p_exo anti
+B217 : G C4p_exo anti
+B218 : U C4p_exo anti
+B219 : C C3p_endo anti
+B220 : C C3p_endo anti
+A1 : MET
+A2 : GLN
+A3 : LYS
+A4 : GLY
+A5 : ASN
+A6 : PHE
+A7 : ARG
+A8 : ASN
+A9 : GLN
+A10 : ARG
+A11 : LYS
+A12 : THR
+A13 : VAL
+A14 : LYS
+A15 : CYS
+A16 : PHE
+A17 : ASN
+A18 : CYS
+A19 : GLY
+A20 : LYS
+A21 : GLU
+A22 : GLY
+A23 : HIS
+A24 : ILE
+A25 : ALA
+A26 : LYS
+A27 : ASN
+A28 : CYS
+A29 : ARG
+A30 : ALA
+A31 : PRO
+A32 : ARG
+A33 : LYS
+A34 : LYS
+A35 : GLY
+A36 : CYS
+A37 : TRP
+A38 : LYS
+A39 : CYS
+A40 : GLY
+A41 : LYS
+A42 : GLU
+A43 : GLY
+A44 : HIS
+A45 : GLN
+A46 : MET
+A47 : LYS
+A48 : ASP
+A49 : CYS
+A50 : THR
+A51 : GLU
+A52 : ARG
+A53 : GLN
+A54 : ALA
+A55 : ASN
+A56 : ZN
+A57 : ZN
+Adjacent stackings ----------------------------------------------
+B202-B203 : adjacent_5p upward 
+B203-B204 : adjacent_5p upward 
+B204-B205 : adjacent_5p upward 
+B206-B207 : adjacent_5p upward 
+B207-B208 : adjacent_5p upward 
+B208-B209 : adjacent_5p upward 
+B213-B214 : adjacent_5p upward 
+B214-B215 : adjacent_5p upward 
+B216-B217 : adjacent_5p upward 
+B217-B218 : adjacent_5p upward 
+B218-B219 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+B209-B213 : outward 
+Number of stackings = 12
+Number of adjacent stackings = 11
+Number of non adjacent stackings = 1
+Base-pairs ------------------------------------------------------
+A32-B211 : ARG-A pairing one_hbond 
+B201-B220 : G-C Ww/Ww pairing antiparallel cis XIX 
+B202-B219 : G-C Ww/Ww pairing antiparallel cis XIX 
+B203-B218 : A-U Ww/Ww pairing antiparallel cis XX 
+B204-B217 : C-G Ww/Ww pairing antiparallel cis 
+B205-B216 : U-A Ww/Ww pairing antiparallel cis XX 
+B206-B215 : A-U Ww/Ww pairing antiparallel cis XX 
+B207-B214 : G-C Ww/Ww pairing antiparallel cis XIX 
+B208-B213 : C-G Ww/Ww pairing antiparallel cis one_hbond 
+B209-B212 : G-G Bs/O2P pairing 
+Residue conformations -------------------------------------------
+B201 : G C3p_endo anti
+B202 : G C3p_endo anti
+B203 : A C4p_exo anti
+B204 : C C3p_endo anti
+B205 : U C4p_exo anti
+B206 : A C4p_exo anti
+B207 : G C4p_exo anti
+B208 : C C3p_endo anti
+B209 : G C2p_exo anti
+B210 : G C4p_endo anti
+B211 : A C2p_endo anti
+B212 : G C4p_exo anti
+B213 : G C1p_endo anti
+B214 : C C2p_exo anti
+B215 : U O4p_exo anti
+B216 : A C4p_exo anti
+B217 : G C3p_endo anti
+B218 : U C3p_endo anti
+B219 : C C3p_endo anti
+B220 : C C3p_endo anti
+A1 : MET
+A2 : GLN
+A3 : LYS
+A4 : GLY
+A5 : ASN
+A6 : PHE
+A7 : ARG
+A8 : ASN
+A9 : GLN
+A10 : ARG
+A11 : LYS
+A12 : THR
+A13 : VAL
+A14 : LYS
+A15 : CYS
+A16 : PHE
+A17 : ASN
+A18 : CYS
+A19 : GLY
+A20 : LYS
+A21 : GLU
+A22 : GLY
+A23 : HIS
+A24 : ILE
+A25 : ALA
+A26 : LYS
+A27 : ASN
+A28 : CYS
+A29 : ARG
+A30 : ALA
+A31 : PRO
+A32 : ARG
+A33 : LYS
+A34 : LYS
+A35 : GLY
+A36 : CYS
+A37 : TRP
+A38 : LYS
+A39 : CYS
+A40 : GLY
+A41 : LYS
+A42 : GLU
+A43 : GLY
+A44 : HIS
+A45 : GLN
+A46 : MET
+A47 : LYS
+A48 : ASP
+A49 : CYS
+A50 : THR
+A51 : GLU
+A52 : ARG
+A53 : GLN
+A54 : ALA
+A55 : ASN
+A56 : ZN
+A57 : ZN
+Adjacent stackings ----------------------------------------------
+B203-B204 : adjacent_5p upward 
+B204-B205 : adjacent_5p upward 
+B205-B206 : adjacent_5p upward 
+B206-B207 : adjacent_5p upward 
+B207-B208 : adjacent_5p upward 
+B213-B214 : adjacent_5p upward 
+B214-B215 : adjacent_5p upward 
+B216-B217 : adjacent_5p upward 
+B217-B218 : adjacent_5p upward 
+B218-B219 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+B209-B213 : outward 
+Number of stackings = 11
+Number of adjacent stackings = 10
+Number of non adjacent stackings = 1
+Base-pairs ------------------------------------------------------
+A32-B211 : ARG-A pairing one_hbond 
+B201-B220 : G-C Ww/Ww pairing antiparallel cis XIX 
+B202-B219 : G-C Ww/Ww pairing antiparallel cis XIX 
+B203-B218 : A-U Ww/Ww pairing antiparallel cis XX 
+B204-B217 : C-G Ww/Ww pairing antiparallel cis XIX 
+B205-B216 : U-A Ww/Ww pairing antiparallel cis XX 
+B206-B215 : A-U Ww/Ww pairing antiparallel cis XX 
+B207-B214 : G-C Ww/Ww pairing antiparallel cis XIX 
+B208-B213 : C-G Ww/Ww pairing antiparallel cis XIX 
+Residue conformations -------------------------------------------
+B201 : G C3p_endo anti
+B202 : G C3p_endo anti
+B203 : A C3p_endo anti
+B204 : C O4p_exo anti
+B205 : U C2p_exo anti
+B206 : A C3p_endo anti
+B207 : G C4p_exo anti
+B208 : C C4p_exo anti
+B209 : G C3p_endo anti
+B210 : G C4p_endo anti
+B211 : A C2p_endo anti
+B212 : G C4p_exo anti
+B213 : G C1p_endo anti
+B214 : C C2p_exo anti
+B215 : U C4p_exo anti
+B216 : A C4p_exo anti
+B217 : G C4p_exo anti
+B218 : U C4p_exo anti
+B219 : C C3p_endo anti
+B220 : C C3p_endo anti
+A1 : MET
+A2 : GLN
+A3 : LYS
+A4 : GLY
+A5 : ASN
+A6 : PHE
+A7 : ARG
+A8 : ASN
+A9 : GLN
+A10 : ARG
+A11 : LYS
+A12 : THR
+A13 : VAL
+A14 : LYS
+A15 : CYS
+A16 : PHE
+A17 : ASN
+A18 : CYS
+A19 : GLY
+A20 : LYS
+A21 : GLU
+A22 : GLY
+A23 : HIS
+A24 : ILE
+A25 : ALA
+A26 : LYS
+A27 : ASN
+A28 : CYS
+A29 : ARG
+A30 : ALA
+A31 : PRO
+A32 : ARG
+A33 : LYS
+A34 : LYS
+A35 : GLY
+A36 : CYS
+A37 : TRP
+A38 : LYS
+A39 : CYS
+A40 : GLY
+A41 : LYS
+A42 : GLU
+A43 : GLY
+A44 : HIS
+A45 : GLN
+A46 : MET
+A47 : LYS
+A48 : ASP
+A49 : CYS
+A50 : THR
+A51 : GLU
+A52 : ARG
+A53 : GLN
+A54 : ALA
+A55 : ASN
+A56 : ZN
+A57 : ZN
+Adjacent stackings ----------------------------------------------
+B201-B202 : adjacent_5p upward 
+B203-B204 : adjacent_5p upward 
+B204-B205 : adjacent_5p upward 
+B206-B207 : adjacent_5p upward 
+B208-B209 : adjacent_5p upward 
+B213-B214 : adjacent_5p upward 
+B214-B215 : adjacent_5p upward 
+B216-B217 : adjacent_5p upward 
+B217-B218 : adjacent_5p upward 
+B218-B219 : adjacent_5p upward 
+B219-B220 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+B206-B216 : outward 
+Number of stackings = 12
+Number of adjacent stackings = 11
+Number of non adjacent stackings = 1
+Base-pairs ------------------------------------------------------
+A32-B211 : ARG-A pairing one_hbond 
+B201-B220 : G-C Ww/Ww pairing antiparallel cis XIX 
+B202-B219 : G-C Ww/Ww pairing antiparallel cis XIX 
+B203-B218 : A-U Ww/Ww pairing antiparallel cis XX 
+B204-B217 : C-G Ww/Ww pairing antiparallel cis XIX 
+B205-B216 : U-A Ww/Ww pairing antiparallel cis XX 
+B206-B215 : A-U Ww/Ww pairing antiparallel cis XX 
+B207-B214 : G-C Ww/Ww pairing antiparallel cis XIX 
+B208-B213 : C-G Ww/Ww pairing antiparallel cis XIX 
+Residue conformations -------------------------------------------
+B201 : G C3p_endo anti
+B202 : G C3p_endo anti
+B203 : A C4p_exo anti
+B204 : C C4p_exo anti
+B205 : U C4p_exo anti
+B206 : A C4p_exo anti
+B207 : G C4p_exo anti
+B208 : C C4p_exo anti
+B209 : G C4p_exo anti
+B210 : G C4p_endo anti
+B211 : A C3p_exo anti
+B212 : G C1p_exo anti
+B213 : G C2p_exo anti
+B214 : C C2p_exo anti
+B215 : U C2p_exo anti
+B216 : A C4p_exo anti
+B217 : G C4p_exo anti
+B218 : U C3p_endo anti
+B219 : C C3p_endo anti
+B220 : C C3p_endo anti
+A1 : MET
+A2 : GLN
+A3 : LYS
+A4 : GLY
+A5 : ASN
+A6 : PHE
+A7 : ARG
+A8 : ASN
+A9 : GLN
+A10 : ARG
+A11 : LYS
+A12 : THR
+A13 : VAL
+A14 : LYS
+A15 : CYS
+A16 : PHE
+A17 : ASN
+A18 : CYS
+A19 : GLY
+A20 : LYS
+A21 : GLU
+A22 : GLY
+A23 : HIS
+A24 : ILE
+A25 : ALA
+A26 : LYS
+A27 : ASN
+A28 : CYS
+A29 : ARG
+A30 : ALA
+A31 : PRO
+A32 : ARG
+A33 : LYS
+A34 : LYS
+A35 : GLY
+A36 : CYS
+A37 : TRP
+A38 : LYS
+A39 : CYS
+A40 : GLY
+A41 : LYS
+A42 : GLU
+A43 : GLY
+A44 : HIS
+A45 : GLN
+A46 : MET
+A47 : LYS
+A48 : ASP
+A49 : CYS
+A50 : THR
+A51 : GLU
+A52 : ARG
+A53 : GLN
+A54 : ALA
+A55 : ASN
+A56 : ZN
+A57 : ZN
+Adjacent stackings ----------------------------------------------
+B201-B202 : adjacent_5p upward 
+B202-B203 : adjacent_5p upward 
+B203-B204 : adjacent_5p upward 
+B204-B205 : adjacent_5p upward 
+B205-B206 : adjacent_5p upward 
+B206-B207 : adjacent_5p upward 
+B207-B208 : adjacent_5p upward pairing 
+B208-B209 : adjacent_5p upward 
+B213-B214 : adjacent_5p upward 
+B214-B215 : adjacent_5p upward 
+B216-B217 : adjacent_5p upward 
+B217-B218 : adjacent_5p upward 
+B218-B219 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 13
+Number of adjacent stackings = 13
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A32-B211 : ARG-A pairing one_hbond 
+A46-B210 : MET-G pairing one_hbond 
+B201-B220 : G-C Ww/Ww pairing antiparallel cis XIX 
+B202-B219 : G-C Ww/Ww pairing antiparallel cis XIX 
+B203-B218 : A-U Ww/Ww pairing antiparallel cis XX 
+B204-B217 : C-G Ww/Ww pairing antiparallel cis 
+B205-B216 : U-A Ww/Ww pairing antiparallel cis XX 
+B206-B215 : A-U Ww/Ww pairing antiparallel cis XX 
+B207-B208 : G-C O2'/Hh adjacent_5p upward pairing 
+B207-B214 : G-C Ww/Ww pairing antiparallel cis XIX 
+B208-B213 : C-G Ww/Ww pairing antiparallel cis 
+Residue conformations -------------------------------------------
+B201 : G C3p_endo anti
+B202 : G C3p_endo anti
+B203 : A C3p_endo anti
+B204 : C C3p_endo anti
+B205 : U C4p_exo anti
+B206 : A C3p_endo anti
+B207 : G C4p_exo anti
+B208 : C C4p_exo anti
+B209 : G C3p_endo anti
+B210 : G C4p_endo anti
+B211 : A C2p_endo anti
+B212 : G O4p_endo anti
+B213 : G C2p_exo anti
+B214 : C C2p_exo anti
+B215 : U C4p_exo anti
+B216 : A C4p_exo anti
+B217 : G C4p_exo anti
+B218 : U C4p_exo anti
+B219 : C C3p_endo anti
+B220 : C C3p_endo anti
+A1 : MET
+A2 : GLN
+A3 : LYS
+A4 : GLY
+A5 : ASN
+A6 : PHE
+A7 : ARG
+A8 : ASN
+A9 : GLN
+A10 : ARG
+A11 : LYS
+A12 : THR
+A13 : VAL
+A14 : LYS
+A15 : CYS
+A16 : PHE
+A17 : ASN
+A18 : CYS
+A19 : GLY
+A20 : LYS
+A21 : GLU
+A22 : GLY
+A23 : HIS
+A24 : ILE
+A25 : ALA
+A26 : LYS
+A27 : ASN
+A28 : CYS
+A29 : ARG
+A30 : ALA
+A31 : PRO
+A32 : ARG
+A33 : LYS
+A34 : LYS
+A35 : GLY
+A36 : CYS
+A37 : TRP
+A38 : LYS
+A39 : CYS
+A40 : GLY
+A41 : LYS
+A42 : GLU
+A43 : GLY
+A44 : HIS
+A45 : GLN
+A46 : MET
+A47 : LYS
+A48 : ASP
+A49 : CYS
+A50 : THR
+A51 : GLU
+A52 : ARG
+A53 : GLN
+A54 : ALA
+A55 : ASN
+A56 : ZN
+A57 : ZN
+Adjacent stackings ----------------------------------------------
+B203-B204 : adjacent_5p upward 
+B204-B205 : adjacent_5p upward 
+B205-B206 : adjacent_5p upward 
+B206-B207 : adjacent_5p upward 
+B207-B208 : adjacent_5p upward 
+B208-B209 : adjacent_5p upward 
+B213-B214 : adjacent_5p upward 
+B214-B215 : adjacent_5p upward 
+B216-B217 : adjacent_5p upward 
+B217-B218 : adjacent_5p upward 
+B218-B219 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 11
+Number of adjacent stackings = 11
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A32-B211 : ARG-A pairing one_hbond 
+A46-B210 : MET-G pairing one_hbond 
+B201-B220 : G-C Ww/Ww pairing antiparallel cis XIX 
+B202-B219 : G-C Ww/Ww pairing antiparallel cis XIX 
+B203-B218 : A-U Ww/Ww pairing antiparallel cis XX 
+B204-B217 : C-G Ww/Ww pairing antiparallel cis 
+B205-B216 : U-A Ww/Ww pairing antiparallel cis XX 
+B206-B215 : A-U Ww/Ww pairing antiparallel cis XX 
+B207-B214 : G-C Ww/Ww pairing antiparallel cis 
+B208-B213 : C-G Ww/Ww pairing antiparallel cis XIX 
+Residue conformations -------------------------------------------
+B201 : G C3p_endo anti
+B202 : G C3p_endo anti
+B203 : A C3p_endo anti
+B204 : C C3p_endo anti
+B205 : U C4p_exo anti
+B206 : A C3p_endo anti
+B207 : G C3p_endo anti
+B208 : C O4p_exo anti
+B209 : G C2p_exo anti
+B210 : G C4p_endo anti
+B211 : A C2p_endo anti
+B212 : G C4p_exo anti
+B213 : G C2p_exo anti
+B214 : C C3p_endo anti
+B215 : U C3p_endo anti
+B216 : A C4p_exo anti
+B217 : G C4p_exo anti
+B218 : U C4p_exo anti
+B219 : C C4p_exo anti
+B220 : C C3p_endo anti
+A1 : MET
+A2 : GLN
+A3 : LYS
+A4 : GLY
+A5 : ASN
+A6 : PHE
+A7 : ARG
+A8 : ASN
+A9 : GLN
+A10 : ARG
+A11 : LYS
+A12 : THR
+A13 : VAL
+A14 : LYS
+A15 : CYS
+A16 : PHE
+A17 : ASN
+A18 : CYS
+A19 : GLY
+A20 : LYS
+A21 : GLU
+A22 : GLY
+A23 : HIS
+A24 : ILE
+A25 : ALA
+A26 : LYS
+A27 : ASN
+A28 : CYS
+A29 : ARG
+A30 : ALA
+A31 : PRO
+A32 : ARG
+A33 : LYS
+A34 : LYS
+A35 : GLY
+A36 : CYS
+A37 : TRP
+A38 : LYS
+A39 : CYS
+A40 : GLY
+A41 : LYS
+A42 : GLU
+A43 : GLY
+A44 : HIS
+A45 : GLN
+A46 : MET
+A47 : LYS
+A48 : ASP
+A49 : CYS
+A50 : THR
+A51 : GLU
+A52 : ARG
+A53 : GLN
+A54 : ALA
+A55 : ASN
+A56 : ZN
+A57 : ZN
+Adjacent stackings ----------------------------------------------
+B202-B203 : adjacent_5p upward 
+B203-B204 : adjacent_5p upward 
+B204-B205 : adjacent_5p upward 
+B206-B207 : adjacent_5p upward 
+B207-B208 : adjacent_5p upward 
+B213-B214 : adjacent_5p upward 
+B214-B215 : adjacent_5p upward 
+B216-B217 : adjacent_5p upward 
+B217-B218 : adjacent_5p upward 
+B218-B219 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 10
+Number of adjacent stackings = 10
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A32-B211 : ARG-A pairing one_hbond 
+A46-B210 : MET-G pairing one_hbond 
+B201-B220 : G-C Ww/Ww pairing antiparallel cis XIX 
+B202-B219 : G-C Ww/Ww pairing antiparallel cis XIX 
+B203-B218 : A-U Ww/Ww pairing antiparallel cis XX 
+B204-B217 : C-G Ww/Ww pairing antiparallel cis 
+B205-B216 : U-A Ww/Ww pairing antiparallel cis XX 
+B206-B215 : A-U Ww/Ww pairing antiparallel cis XX 
+B207-B214 : G-C Ww/Ww pairing antiparallel cis XIX 
+B208-B213 : C-G Ww/Ww pairing antiparallel cis XIX 
+Residue conformations -------------------------------------------
+B201 : G C3p_endo anti
+B202 : G C3p_endo anti
+B203 : A C3p_endo anti
+B204 : C C3p_endo anti
+B205 : U C4p_exo anti
+B206 : A C4p_exo anti
+B207 : G C4p_exo anti
+B208 : C C4p_exo anti
+B209 : G C2p_exo anti
+B210 : G O4p_exo anti
+B211 : A C2p_endo anti
+B212 : G C3p_endo anti
+B213 : G C2p_exo anti
+B214 : C C3p_endo anti
+B215 : U C4p_exo anti
+B216 : A C4p_exo anti
+B217 : G C4p_exo anti
+B218 : U C3p_endo anti
+B219 : C C3p_endo anti
+B220 : C C3p_endo anti
+A1 : MET
+A2 : GLN
+A3 : LYS
+A4 : GLY
+A5 : ASN
+A6 : PHE
+A7 : ARG
+A8 : ASN
+A9 : GLN
+A10 : ARG
+A11 : LYS
+A12 : THR
+A13 : VAL
+A14 : LYS
+A15 : CYS
+A16 : PHE
+A17 : ASN
+A18 : CYS
+A19 : GLY
+A20 : LYS
+A21 : GLU
+A22 : GLY
+A23 : HIS
+A24 : ILE
+A25 : ALA
+A26 : LYS
+A27 : ASN
+A28 : CYS
+A29 : ARG
+A30 : ALA
+A31 : PRO
+A32 : ARG
+A33 : LYS
+A34 : LYS
+A35 : GLY
+A36 : CYS
+A37 : TRP
+A38 : LYS
+A39 : CYS
+A40 : GLY
+A41 : LYS
+A42 : GLU
+A43 : GLY
+A44 : HIS
+A45 : GLN
+A46 : MET
+A47 : LYS
+A48 : ASP
+A49 : CYS
+A50 : THR
+A51 : GLU
+A52 : ARG
+A53 : GLN
+A54 : ALA
+A55 : ASN
+A56 : ZN
+A57 : ZN
+Adjacent stackings ----------------------------------------------
+B201-B202 : adjacent_5p upward 
+B203-B204 : adjacent_5p upward 
+B204-B205 : adjacent_5p upward 
+B206-B207 : adjacent_5p upward 
+B207-B208 : adjacent_5p upward 
+B208-B209 : adjacent_5p upward 
+B213-B214 : adjacent_5p upward 
+B214-B215 : adjacent_5p upward 
+B216-B217 : adjacent_5p upward 
+B217-B218 : adjacent_5p upward 
+B218-B219 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 11
+Number of adjacent stackings = 11
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A32-B211 : ARG-A pairing one_hbond 
+A46-B210 : MET-G pairing one_hbond 
+B201-B220 : G-C Ww/Ww pairing antiparallel cis XIX 
+B202-B219 : G-C Ww/Ww pairing antiparallel cis XIX 
+B203-B218 : A-U Ww/Ww pairing antiparallel cis XX 
+B204-B217 : C-G Ww/Ww pairing antiparallel cis XIX 
+B205-B216 : U-A Ww/Ww pairing antiparallel cis XX 
+B206-B215 : A-U Ww/Ww pairing antiparallel cis XX 
+B207-B214 : G-C Ww/Ww pairing antiparallel cis XIX 
+B208-B213 : C-G Wh/Wh pairing antiparallel cis one_hbond 
+Residue conformations -------------------------------------------
+B201 : G C4p_exo syn
+B202 : G C2p_exo anti
+B203 : A C4p_exo anti
+B204 : C C4p_exo anti
+B205 : U C3p_endo anti
+B206 : A C4p_exo anti
+B207 : G C3p_endo anti
+B208 : C O4p_exo anti
+B209 : G C2p_exo anti
+B210 : G C4p_endo anti
+B211 : A C2p_endo anti
+B212 : G C4p_exo anti
+B213 : G O4p_exo anti
+B214 : C C2p_exo anti
+B215 : U C4p_exo anti
+B216 : A C4p_exo anti
+B217 : G C4p_exo anti
+B218 : U C4p_exo anti
+B219 : C C3p_endo anti
+B220 : C C1p_endo anti
+A1 : MET
+A2 : GLN
+A3 : LYS
+A4 : GLY
+A5 : ASN
+A6 : PHE
+A7 : ARG
+A8 : ASN
+A9 : GLN
+A10 : ARG
+A11 : LYS
+A12 : THR
+A13 : VAL
+A14 : LYS
+A15 : CYS
+A16 : PHE
+A17 : ASN
+A18 : CYS
+A19 : GLY
+A20 : LYS
+A21 : GLU
+A22 : GLY
+A23 : HIS
+A24 : ILE
+A25 : ALA
+A26 : LYS
+A27 : ASN
+A28 : CYS
+A29 : ARG
+A30 : ALA
+A31 : PRO
+A32 : ARG
+A33 : LYS
+A34 : LYS
+A35 : GLY
+A36 : CYS
+A37 : TRP
+A38 : LYS
+A39 : CYS
+A40 : GLY
+A41 : LYS
+A42 : GLU
+A43 : GLY
+A44 : HIS
+A45 : GLN
+A46 : MET
+A47 : LYS
+A48 : ASP
+A49 : CYS
+A50 : THR
+A51 : GLU
+A52 : ARG
+A53 : GLN
+A54 : ALA
+A55 : ASN
+A56 : ZN
+A57 : ZN
+Adjacent stackings ----------------------------------------------
+B202-B203 : adjacent_5p upward 
+B203-B204 : adjacent_5p upward 
+B204-B205 : adjacent_5p upward 
+B206-B207 : adjacent_5p upward 
+B207-B208 : adjacent_5p upward 
+B208-B209 : adjacent_5p upward 
+B213-B214 : adjacent_5p upward 
+B214-B215 : adjacent_5p upward 
+B216-B217 : adjacent_5p upward 
+B217-B218 : adjacent_5p upward 
+B218-B219 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 11
+Number of adjacent stackings = 11
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A32-B211 : ARG-A pairing one_hbond 
+A46-B210 : MET-G pairing one_hbond 
+B201-B220 : G-C Ww/Ww pairing antiparallel cis XIX 
+B202-B219 : G-C Ww/Ww pairing antiparallel cis XIX 
+B203-B218 : A-U Ww/Ww pairing antiparallel cis XX 
+B204-B217 : C-G Ww/Ww pairing antiparallel cis XIX 
+B205-B216 : U-A Ww/Ww pairing antiparallel cis XX 
+B206-B215 : A-U Ww/Ww pairing antiparallel cis XX 
+B207-B214 : G-C Ww/Ww pairing antiparallel cis XIX 
+B208-B213 : C-G Ww/Ww pairing antiparallel cis XIX 
+Residue conformations -------------------------------------------
+B201 : G C3p_endo anti
+B202 : G C3p_endo anti
+B203 : A C3p_endo anti
+B204 : C C3p_endo anti
+B205 : U C3p_endo anti
+B206 : A C4p_exo anti
+B207 : G C4p_exo anti
+B208 : C O4p_exo anti
+B209 : G C1p_endo anti
+B210 : G C4p_endo anti
+B211 : A C2p_endo anti
+B212 : G C3p_endo anti
+B213 : G C2p_exo anti
+B214 : C C2p_exo anti
+B215 : U C3p_endo anti
+B216 : A C4p_exo anti
+B217 : G C4p_exo anti
+B218 : U C4p_exo anti
+B219 : C C4p_exo anti
+B220 : C C3p_endo anti
+A1 : MET
+A2 : GLN
+A3 : LYS
+A4 : GLY
+A5 : ASN
+A6 : PHE
+A7 : ARG
+A8 : ASN
+A9 : GLN
+A10 : ARG
+A11 : LYS
+A12 : THR
+A13 : VAL
+A14 : LYS
+A15 : CYS
+A16 : PHE
+A17 : ASN
+A18 : CYS
+A19 : GLY
+A20 : LYS
+A21 : GLU
+A22 : GLY
+A23 : HIS
+A24 : ILE
+A25 : ALA
+A26 : LYS
+A27 : ASN
+A28 : CYS
+A29 : ARG
+A30 : ALA
+A31 : PRO
+A32 : ARG
+A33 : LYS
+A34 : LYS
+A35 : GLY
+A36 : CYS
+A37 : TRP
+A38 : LYS
+A39 : CYS
+A40 : GLY
+A41 : LYS
+A42 : GLU
+A43 : GLY
+A44 : HIS
+A45 : GLN
+A46 : MET
+A47 : LYS
+A48 : ASP
+A49 : CYS
+A50 : THR
+A51 : GLU
+A52 : ARG
+A53 : GLN
+A54 : ALA
+A55 : ASN
+A56 : ZN
+A57 : ZN
+Adjacent stackings ----------------------------------------------
+B201-B202 : adjacent_5p upward 
+B202-B203 : adjacent_5p upward 
+B203-B204 : adjacent_5p upward 
+B206-B207 : adjacent_5p upward 
+B207-B208 : adjacent_5p upward 
+B213-B214 : adjacent_5p upward 
+B214-B215 : adjacent_5p upward 
+B216-B217 : adjacent_5p upward 
+B217-B218 : adjacent_5p upward 
+B218-B219 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 10
+Number of adjacent stackings = 10
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A32-B211 : ARG-A pairing one_hbond 
+A46-B210 : MET-G pairing one_hbond 
+B201-B220 : G-C Ww/Ww pairing antiparallel cis XIX 
+B202-B219 : G-C Ww/Ww pairing antiparallel cis XIX 
+B203-B218 : A-U Ww/Ww pairing antiparallel cis XX 
+B204-B217 : C-G Ww/Ww pairing antiparallel cis 
+B205-B216 : U-A Ww/Ww pairing antiparallel cis XX 
+B206-B215 : A-U Ww/Ww pairing antiparallel cis XX 
+B207-B214 : G-C Ww/Ww pairing antiparallel cis XIX 
+B208-B213 : C-G Ww/Ww pairing antiparallel cis 
+B209-B212 : G-G Bs/O2P pairing 
+Residue conformations -------------------------------------------
+B201 : G C3p_endo anti
+B202 : G C3p_endo anti
+B203 : A C3p_endo anti
+B204 : C C3p_endo anti
+B205 : U O4p_exo anti
+B206 : A C4p_exo anti
+B207 : G C3p_endo anti
+B208 : C C4p_exo anti
+B209 : G C2p_exo anti
+B210 : G C4p_endo anti
+B211 : A C3p_exo anti
+B212 : G O4p_endo anti
+B213 : G C2p_exo anti
+B214 : C C3p_endo anti
+B215 : U C3p_endo anti
+B216 : A C4p_exo anti
+B217 : G C4p_exo anti
+B218 : U C4p_exo anti
+B219 : C C4p_exo anti
+B220 : C C3p_endo anti
+A1 : MET
+A2 : GLN
+A3 : LYS
+A4 : GLY
+A5 : ASN
+A6 : PHE
+A7 : ARG
+A8 : ASN
+A9 : GLN
+A10 : ARG
+A11 : LYS
+A12 : THR
+A13 : VAL
+A14 : LYS
+A15 : CYS
+A16 : PHE
+A17 : ASN
+A18 : CYS
+A19 : GLY
+A20 : LYS
+A21 : GLU
+A22 : GLY
+A23 : HIS
+A24 : ILE
+A25 : ALA
+A26 : LYS
+A27 : ASN
+A28 : CYS
+A29 : ARG
+A30 : ALA
+A31 : PRO
+A32 : ARG
+A33 : LYS
+A34 : LYS
+A35 : GLY
+A36 : CYS
+A37 : TRP
+A38 : LYS
+A39 : CYS
+A40 : GLY
+A41 : LYS
+A42 : GLU
+A43 : GLY
+A44 : HIS
+A45 : GLN
+A46 : MET
+A47 : LYS
+A48 : ASP
+A49 : CYS
+A50 : THR
+A51 : GLU
+A52 : ARG
+A53 : GLN
+A54 : ALA
+A55 : ASN
+A56 : ZN
+A57 : ZN
+Adjacent stackings ----------------------------------------------
+B201-B202 : adjacent_5p upward 
+B202-B203 : adjacent_5p upward 
+B203-B204 : adjacent_5p upward 
+B204-B205 : adjacent_5p upward 
+B206-B207 : adjacent_5p upward 
+B207-B208 : adjacent_5p upward 
+B208-B209 : adjacent_5p upward 
+B213-B214 : adjacent_5p upward 
+B214-B215 : adjacent_5p upward 
+B216-B217 : adjacent_5p upward 
+B217-B218 : adjacent_5p upward 
+B218-B219 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 12
+Number of adjacent stackings = 12
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A32-B211 : ARG-A pairing one_hbond 
+B201-B220 : G-C Ww/Ww pairing antiparallel cis XIX 
+B202-B219 : G-C Ww/Ww pairing antiparallel cis XIX 
+B203-B218 : A-U Ww/Ww pairing antiparallel cis XX 
+B204-B217 : C-G Ww/Ww pairing antiparallel cis XIX 
+B205-B216 : U-A Ww/Ww pairing antiparallel cis XX 
+B206-B215 : A-U Ww/Ww pairing antiparallel cis XX 
+B207-B214 : G-C Ww/Ww pairing antiparallel cis XIX 
+B208-B213 : C-G Ww/Ww pairing antiparallel cis XIX 
+Residue conformations -------------------------------------------
+B201 : G C3p_endo anti
+B202 : G C3p_endo anti
+B203 : A C4p_exo anti
+B204 : C C3p_endo anti
+B205 : U C4p_exo anti
+B206 : A C3p_endo anti
+B207 : G C3p_endo anti
+B208 : C C2p_exo anti
+B209 : G O4p_exo anti
+B210 : G C4p_endo anti
+B211 : A C2p_endo anti
+B212 : G C4p_exo anti
+B213 : G C2p_exo anti
+B214 : C C2p_exo anti
+B215 : U C1p_endo anti
+B216 : A C4p_exo anti
+B217 : G C3p_endo anti
+B218 : U C4p_exo anti
+B219 : C C4p_exo anti
+B220 : C C3p_endo anti
+A1 : MET
+A2 : GLN
+A3 : LYS
+A4 : GLY
+A5 : ASN
+A6 : PHE
+A7 : ARG
+A8 : ASN
+A9 : GLN
+A10 : ARG
+A11 : LYS
+A12 : THR
+A13 : VAL
+A14 : LYS
+A15 : CYS
+A16 : PHE
+A17 : ASN
+A18 : CYS
+A19 : GLY
+A20 : LYS
+A21 : GLU
+A22 : GLY
+A23 : HIS
+A24 : ILE
+A25 : ALA
+A26 : LYS
+A27 : ASN
+A28 : CYS
+A29 : ARG
+A30 : ALA
+A31 : PRO
+A32 : ARG
+A33 : LYS
+A34 : LYS
+A35 : GLY
+A36 : CYS
+A37 : TRP
+A38 : LYS
+A39 : CYS
+A40 : GLY
+A41 : LYS
+A42 : GLU
+A43 : GLY
+A44 : HIS
+A45 : GLN
+A46 : MET
+A47 : LYS
+A48 : ASP
+A49 : CYS
+A50 : THR
+A51 : GLU
+A52 : ARG
+A53 : GLN
+A54 : ALA
+A55 : ASN
+A56 : ZN
+A57 : ZN
+Adjacent stackings ----------------------------------------------
+B201-B202 : adjacent_5p upward 
+B202-B203 : adjacent_5p upward 
+B203-B204 : adjacent_5p upward 
+B204-B205 : adjacent_5p upward 
+B206-B207 : adjacent_5p upward 
+B207-B208 : adjacent_5p upward 
+B208-B209 : adjacent_5p upward 
+B213-B214 : adjacent_5p upward 
+B214-B215 : adjacent_5p upward 
+B216-B217 : adjacent_5p upward 
+B217-B218 : adjacent_5p upward 
+B218-B219 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 12
+Number of adjacent stackings = 12
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A32-B211 : ARG-A pairing one_hbond 
+A46-B210 : MET-G pairing one_hbond 
+B201-B220 : G-C Ww/Ww pairing antiparallel cis XIX 
+B202-B219 : G-C Ww/Ww pairing antiparallel cis XIX 
+B203-B218 : A-U Ww/Ww pairing antiparallel cis XX 
+B204-B217 : C-G Ww/Ww pairing antiparallel cis XIX 
+B205-B216 : U-A Ww/Ww pairing antiparallel cis XX 
+B206-B215 : A-U Ww/Ww pairing antiparallel cis XX 
+B207-B214 : G-C Ww/Ww pairing antiparallel cis XIX 
+B208-B213 : C-G Ww/Ww pairing antiparallel cis 
+B209-B212 : G-G Bs/O2P pairing 
+Residue conformations -------------------------------------------
+B201 : G C3p_endo anti
+B202 : G C3p_endo anti
+B203 : A C3p_endo anti
+B204 : C C3p_endo anti
+B205 : U C3p_endo anti
+B206 : A C3p_endo anti
+B207 : G C3p_endo anti
+B208 : C O4p_exo anti
+B209 : G C1p_endo anti
+B210 : G C4p_endo anti
+B211 : A C2p_endo anti
+B212 : G C4p_exo anti
+B213 : G C2p_exo anti
+B214 : C C3p_endo anti
+B215 : U C4p_exo anti
+B216 : A C4p_exo anti
+B217 : G C4p_exo anti
+B218 : U C3p_endo anti
+B219 : C C2p_exo anti
+B220 : C C3p_endo anti
+A1 : MET
+A2 : GLN
+A3 : LYS
+A4 : GLY
+A5 : ASN
+A6 : PHE
+A7 : ARG
+A8 : ASN
+A9 : GLN
+A10 : ARG
+A11 : LYS
+A12 : THR
+A13 : VAL
+A14 : LYS
+A15 : CYS
+A16 : PHE
+A17 : ASN
+A18 : CYS
+A19 : GLY
+A20 : LYS
+A21 : GLU
+A22 : GLY
+A23 : HIS
+A24 : ILE
+A25 : ALA
+A26 : LYS
+A27 : ASN
+A28 : CYS
+A29 : ARG
+A30 : ALA
+A31 : PRO
+A32 : ARG
+A33 : LYS
+A34 : LYS
+A35 : GLY
+A36 : CYS
+A37 : TRP
+A38 : LYS
+A39 : CYS
+A40 : GLY
+A41 : LYS
+A42 : GLU
+A43 : GLY
+A44 : HIS
+A45 : GLN
+A46 : MET
+A47 : LYS
+A48 : ASP
+A49 : CYS
+A50 : THR
+A51 : GLU
+A52 : ARG
+A53 : GLN
+A54 : ALA
+A55 : ASN
+A56 : ZN
+A57 : ZN
+Adjacent stackings ----------------------------------------------
+B202-B203 : adjacent_5p upward 
+B203-B204 : adjacent_5p upward 
+B204-B205 : adjacent_5p upward 
+B206-B207 : adjacent_5p upward 
+B207-B208 : adjacent_5p upward 
+B208-B209 : adjacent_5p upward 
+B213-B214 : adjacent_5p upward 
+B214-B215 : adjacent_5p upward 
+B216-B217 : adjacent_5p upward 
+B217-B218 : adjacent_5p upward 
+B218-B219 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 11
+Number of adjacent stackings = 11
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A32-B211 : ARG-A pairing one_hbond 
+B201-B220 : G-C Ww/Ww pairing antiparallel cis XIX 
+B202-B219 : G-C Ww/Ww pairing antiparallel cis XIX 
+B203-B218 : A-U Ww/Ww pairing antiparallel cis XX 
+B204-B217 : C-G Ww/Ww pairing antiparallel cis 
+B205-B216 : U-A Ww/Ww pairing antiparallel cis XX 
+B206-B215 : A-U Ww/Ww pairing antiparallel cis XX 
+B207-B214 : G-C Ww/Ww pairing antiparallel cis XIX 
+B208-B213 : C-G Ww/Ww pairing antiparallel cis XIX 
+B209-B212 : G-G Wh/Sw pairing parallel cis one_hbond 114 
+Residue conformations -------------------------------------------
+B201 : G C3p_endo anti
+B202 : G C3p_endo anti
+B203 : A C3p_endo anti
+B204 : C O4p_exo anti
+B205 : U C3p_endo anti
+B206 : A C4p_exo anti
+B207 : G C4p_exo anti
+B208 : C C4p_exo anti
+B209 : G C3p_endo anti
+B210 : G C4p_endo anti
+B211 : A C2p_endo anti
+B212 : G C4p_exo anti
+B213 : G C1p_endo anti
+B214 : C C3p_endo anti
+B215 : U C2p_exo anti
+B216 : A C4p_exo anti
+B217 : G C4p_exo anti
+B218 : U C4p_exo anti
+B219 : C C4p_exo anti
+B220 : C C4p_exo anti
+A1 : MET
+A2 : GLN
+A3 : LYS
+A4 : GLY
+A5 : ASN
+A6 : PHE
+A7 : ARG
+A8 : ASN
+A9 : GLN
+A10 : ARG
+A11 : LYS
+A12 : THR
+A13 : VAL
+A14 : LYS
+A15 : CYS
+A16 : PHE
+A17 : ASN
+A18 : CYS
+A19 : GLY
+A20 : LYS
+A21 : GLU
+A22 : GLY
+A23 : HIS
+A24 : ILE
+A25 : ALA
+A26 : LYS
+A27 : ASN
+A28 : CYS
+A29 : ARG
+A30 : ALA
+A31 : PRO
+A32 : ARG
+A33 : LYS
+A34 : LYS
+A35 : GLY
+A36 : CYS
+A37 : TRP
+A38 : LYS
+A39 : CYS
+A40 : GLY
+A41 : LYS
+A42 : GLU
+A43 : GLY
+A44 : HIS
+A45 : GLN
+A46 : MET
+A47 : LYS
+A48 : ASP
+A49 : CYS
+A50 : THR
+A51 : GLU
+A52 : ARG
+A53 : GLN
+A54 : ALA
+A55 : ASN
+A56 : ZN
+A57 : ZN
+Adjacent stackings ----------------------------------------------
+B202-B203 : adjacent_5p upward 
+B203-B204 : adjacent_5p upward 
+B205-B206 : adjacent_5p upward 
+B206-B207 : adjacent_5p upward 
+B207-B208 : adjacent_5p upward 
+B208-B209 : adjacent_5p upward 
+B213-B214 : adjacent_5p upward 
+B214-B215 : adjacent_5p upward 
+B216-B217 : adjacent_5p upward 
+B217-B218 : adjacent_5p upward 
+B218-B219 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 11
+Number of adjacent stackings = 11
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A32-B211 : ARG-A pairing one_hbond 
+A46-B210 : MET-G pairing one_hbond 
+B201-B220 : G-C Ww/Ww pairing antiparallel cis XIX 
+B202-B219 : G-C Ww/Ww pairing antiparallel cis XIX 
+B203-B218 : A-U Ww/Ww pairing antiparallel cis XX 
+B204-B217 : C-G Ww/Ww pairing antiparallel cis XIX 
+B205-B216 : U-A Ww/Ww pairing antiparallel cis XX 
+B206-B215 : A-U Ww/Ww pairing antiparallel cis XX 
+B207-B214 : G-C Ww/Ww pairing antiparallel cis XIX 
+B208-B213 : C-G Ww/Ww pairing antiparallel cis XIX 
+Residue conformations -------------------------------------------
+B201 : G C3p_endo anti
+B202 : G C3p_endo anti
+B203 : A C3p_endo anti
+B204 : C C4p_exo anti
+B205 : U C4p_exo anti
+B206 : A C3p_endo anti
+B207 : G C3p_endo anti
+B208 : C C1p_endo anti
+B209 : G C4p_exo anti
+B210 : G C4p_endo anti
+B211 : A C3p_exo anti
+B212 : G C4p_exo anti
+B213 : G C2p_exo anti
+B214 : C C2p_exo anti
+B215 : U C4p_endo anti
+B216 : A C4p_exo anti
+B217 : G C3p_endo anti
+B218 : U C3p_endo anti
+B219 : C C4p_endo anti
+B220 : C C4p_exo anti
+A1 : MET
+A2 : GLN
+A3 : LYS
+A4 : GLY
+A5 : ASN
+A6 : PHE
+A7 : ARG
+A8 : ASN
+A9 : GLN
+A10 : ARG
+A11 : LYS
+A12 : THR
+A13 : VAL
+A14 : LYS
+A15 : CYS
+A16 : PHE
+A17 : ASN
+A18 : CYS
+A19 : GLY
+A20 : LYS
+A21 : GLU
+A22 : GLY
+A23 : HIS
+A24 : ILE
+A25 : ALA
+A26 : LYS
+A27 : ASN
+A28 : CYS
+A29 : ARG
+A30 : ALA
+A31 : PRO
+A32 : ARG
+A33 : LYS
+A34 : LYS
+A35 : GLY
+A36 : CYS
+A37 : TRP
+A38 : LYS
+A39 : CYS
+A40 : GLY
+A41 : LYS
+A42 : GLU
+A43 : GLY
+A44 : HIS
+A45 : GLN
+A46 : MET
+A47 : LYS
+A48 : ASP
+A49 : CYS
+A50 : THR
+A51 : GLU
+A52 : ARG
+A53 : GLN
+A54 : ALA
+A55 : ASN
+A56 : ZN
+A57 : ZN
+Adjacent stackings ----------------------------------------------
+B201-B202 : adjacent_5p upward 
+B202-B203 : adjacent_5p upward 
+B203-B204 : adjacent_5p upward 
+B204-B205 : adjacent_5p upward 
+B206-B207 : adjacent_5p upward 
+B207-B208 : adjacent_5p upward 
+B213-B214 : adjacent_5p upward 
+B214-B215 : adjacent_5p upward 
+B216-B217 : adjacent_5p upward 
+B217-B218 : adjacent_5p upward 
+B218-B219 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 11
+Number of adjacent stackings = 11
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A32-B211 : ARG-A pairing one_hbond 
+A46-B210 : MET-G pairing 
+B201-B220 : G-C Ww/Ww pairing antiparallel cis XIX 
+B202-B219 : G-C Ww/Ww pairing antiparallel cis XIX 
+B203-B218 : A-U Ww/Ww pairing antiparallel cis XX 
+B204-B217 : C-G Ww/Ww pairing antiparallel cis 
+B205-B216 : U-A Ww/Ww pairing antiparallel cis XX 
+B206-B215 : A-U Ww/Ww pairing antiparallel cis XX 
+B207-B214 : G-C Ww/Ww pairing antiparallel cis XIX 
+B208-B213 : C-G Ww/Ww pairing antiparallel cis XIX 
+B209-B212 : G-G Hw/Sw pairing antiparallel trans one_hbond 112 
+Residue conformations -------------------------------------------
+B201 : G C3p_endo anti
+B202 : G C3p_endo anti
+B203 : A C2p_exo anti
+B204 : C C3p_endo anti
+B205 : U C3p_endo anti
+B206 : A C4p_exo anti
+B207 : G C4p_exo anti
+B208 : C C4p_exo anti
+B209 : G C3p_endo anti
+B210 : G C4p_endo anti
+B211 : A C1p_exo anti
+B212 : G O4p_endo anti
+B213 : G C2p_exo anti
+B214 : C C3p_endo anti
+B215 : U C4p_endo anti
+B216 : A C4p_exo anti
+B217 : G C4p_exo anti
+B218 : U C3p_endo anti
+B219 : C C2p_exo anti
+B220 : C C4p_endo anti
+A1 : MET
+A2 : GLN
+A3 : LYS
+A4 : GLY
+A5 : ASN
+A6 : PHE
+A7 : ARG
+A8 : ASN
+A9 : GLN
+A10 : ARG
+A11 : LYS
+A12 : THR
+A13 : VAL
+A14 : LYS
+A15 : CYS
+A16 : PHE
+A17 : ASN
+A18 : CYS
+A19 : GLY
+A20 : LYS
+A21 : GLU
+A22 : GLY
+A23 : HIS
+A24 : ILE
+A25 : ALA
+A26 : LYS
+A27 : ASN
+A28 : CYS
+A29 : ARG
+A30 : ALA
+A31 : PRO
+A32 : ARG
+A33 : LYS
+A34 : LYS
+A35 : GLY
+A36 : CYS
+A37 : TRP
+A38 : LYS
+A39 : CYS
+A40 : GLY
+A41 : LYS
+A42 : GLU
+A43 : GLY
+A44 : HIS
+A45 : GLN
+A46 : MET
+A47 : LYS
+A48 : ASP
+A49 : CYS
+A50 : THR
+A51 : GLU
+A52 : ARG
+A53 : GLN
+A54 : ALA
+A55 : ASN
+A56 : ZN
+A57 : ZN
+Adjacent stackings ----------------------------------------------
+B201-B202 : adjacent_5p upward 
+B202-B203 : adjacent_5p upward 
+B203-B204 : adjacent_5p upward 
+B204-B205 : adjacent_5p upward 
+B205-B206 : adjacent_5p upward 
+B206-B207 : adjacent_5p upward 
+B207-B208 : adjacent_5p upward 
+B208-B209 : adjacent_5p upward 
+B213-B214 : adjacent_5p upward 
+B214-B215 : adjacent_5p upward 
+B216-B217 : adjacent_5p upward 
+B217-B218 : adjacent_5p upward 
+B218-B219 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 13
+Number of adjacent stackings = 13
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A32-B211 : ARG-A pairing one_hbond 
+B201-B220 : G-C Ww/Ww pairing antiparallel cis XIX 
+B202-B219 : G-C Ww/Ww pairing antiparallel cis XIX 
+B203-B218 : A-U Ww/Ww pairing antiparallel cis XX 
+B204-B217 : C-G Ww/Ww pairing antiparallel cis 
+B205-B216 : U-A Ww/Ww pairing antiparallel cis XX 
+B206-B215 : A-U Ww/Ww pairing antiparallel cis XX 
+B207-B214 : G-C Ww/Ww pairing antiparallel cis XIX 
+B208-B213 : C-G Ww/Ww pairing antiparallel cis XIX 
+Residue conformations -------------------------------------------
+B201 : G C3p_endo anti
+B202 : G C3p_endo anti
+B203 : A C3p_endo anti
+B204 : C C3p_endo anti
+B205 : U C4p_exo anti
+B206 : A C4p_exo anti
+B207 : G C4p_exo anti
+B208 : C C4p_exo anti
+B209 : G C4p_exo anti
+B210 : G C4p_endo anti
+B211 : A C2p_endo anti
+B212 : G C4p_exo anti
+B213 : G C2p_exo anti
+B214 : C C2p_exo anti
+B215 : U O4p_exo anti
+B216 : A C4p_exo anti
+B217 : G C4p_exo anti
+B218 : U C4p_exo anti
+B219 : C C4p_exo anti
+B220 : C C3p_endo anti
+A1 : MET
+A2 : GLN
+A3 : LYS
+A4 : GLY
+A5 : ASN
+A6 : PHE
+A7 : ARG
+A8 : ASN
+A9 : GLN
+A10 : ARG
+A11 : LYS
+A12 : THR
+A13 : VAL
+A14 : LYS
+A15 : CYS
+A16 : PHE
+A17 : ASN
+A18 : CYS
+A19 : GLY
+A20 : LYS
+A21 : GLU
+A22 : GLY
+A23 : HIS
+A24 : ILE
+A25 : ALA
+A26 : LYS
+A27 : ASN
+A28 : CYS
+A29 : ARG
+A30 : ALA
+A31 : PRO
+A32 : ARG
+A33 : LYS
+A34 : LYS
+A35 : GLY
+A36 : CYS
+A37 : TRP
+A38 : LYS
+A39 : CYS
+A40 : GLY
+A41 : LYS
+A42 : GLU
+A43 : GLY
+A44 : HIS
+A45 : GLN
+A46 : MET
+A47 : LYS
+A48 : ASP
+A49 : CYS
+A50 : THR
+A51 : GLU
+A52 : ARG
+A53 : GLN
+A54 : ALA
+A55 : ASN
+A56 : ZN
+A57 : ZN
+Adjacent stackings ----------------------------------------------
+B201-B202 : adjacent_5p upward 
+B202-B203 : adjacent_5p upward 
+B203-B204 : adjacent_5p upward 
+B204-B205 : adjacent_5p upward 
+B205-B206 : adjacent_5p upward 
+B206-B207 : adjacent_5p upward 
+B208-B209 : adjacent_5p upward 
+B213-B214 : adjacent_5p upward 
+B214-B215 : adjacent_5p upward 
+B216-B217 : adjacent_5p upward 
+B217-B218 : adjacent_5p upward 
+B218-B219 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 12
+Number of adjacent stackings = 12
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A32-B211 : ARG-A pairing one_hbond 
+A46-B210 : MET-G pairing one_hbond 
+B201-B220 : G-C Ww/Ww pairing antiparallel cis XIX 
+B202-B219 : G-C Ww/Ww pairing antiparallel cis XIX 
+B203-B218 : A-U Ww/Ww pairing antiparallel cis XX 
+B204-B217 : C-G Ww/Ww pairing antiparallel cis 
+B205-B216 : U-A Ww/Ww pairing antiparallel cis XX 
+B206-B215 : A-U Ww/Ww pairing antiparallel cis XX 
+B207-B214 : G-C Ww/Ww pairing antiparallel cis XIX 
+B208-B213 : C-G Ww/Ww pairing antiparallel cis XIX 
+Residue conformations -------------------------------------------
+B201 : G C3p_endo anti
+B202 : G C3p_endo anti
+B203 : A C3p_endo anti
+B204 : C C3p_endo anti
+B205 : U C4p_exo anti
+B206 : A C3p_endo anti
+B207 : G C3p_endo anti
+B208 : C C1p_endo anti
+B209 : G O4p_exo anti
+B210 : G C4p_endo anti
+B211 : A C2p_endo anti
+B212 : G O4p_endo anti
+B213 : G C2p_exo anti
+B214 : C C3p_endo anti
+B215 : U C4p_exo anti
+B216 : A C4p_exo anti
+B217 : G C4p_exo anti
+B218 : U C3p_endo anti
+B219 : C C4p_endo anti
+B220 : C C4p_exo anti
+A1 : MET
+A2 : GLN
+A3 : LYS
+A4 : GLY
+A5 : ASN
+A6 : PHE
+A7 : ARG
+A8 : ASN
+A9 : GLN
+A10 : ARG
+A11 : LYS
+A12 : THR
+A13 : VAL
+A14 : LYS
+A15 : CYS
+A16 : PHE
+A17 : ASN
+A18 : CYS
+A19 : GLY
+A20 : LYS
+A21 : GLU
+A22 : GLY
+A23 : HIS
+A24 : ILE
+A25 : ALA
+A26 : LYS
+A27 : ASN
+A28 : CYS
+A29 : ARG
+A30 : ALA
+A31 : PRO
+A32 : ARG
+A33 : LYS
+A34 : LYS
+A35 : GLY
+A36 : CYS
+A37 : TRP
+A38 : LYS
+A39 : CYS
+A40 : GLY
+A41 : LYS
+A42 : GLU
+A43 : GLY
+A44 : HIS
+A45 : GLN
+A46 : MET
+A47 : LYS
+A48 : ASP
+A49 : CYS
+A50 : THR
+A51 : GLU
+A52 : ARG
+A53 : GLN
+A54 : ALA
+A55 : ASN
+A56 : ZN
+A57 : ZN
+Adjacent stackings ----------------------------------------------
+B201-B202 : adjacent_5p upward 
+B202-B203 : adjacent_5p upward 
+B203-B204 : adjacent_5p upward 
+B205-B206 : adjacent_5p upward 
+B206-B207 : adjacent_5p upward 
+B207-B208 : adjacent_5p upward 
+B208-B209 : adjacent_5p upward 
+B213-B214 : adjacent_5p upward 
+B214-B215 : adjacent_5p upward 
+B216-B217 : adjacent_5p upward 
+B217-B218 : adjacent_5p upward 
+B218-B219 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 12
+Number of adjacent stackings = 12
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A32-B211 : ARG-A pairing one_hbond 
+B201-B220 : G-C Ww/Ww pairing antiparallel cis XIX 
+B202-B219 : G-C Ww/Ww pairing antiparallel cis XIX 
+B203-B218 : A-U Ww/Ww pairing antiparallel cis XX 
+B204-B217 : C-G Ww/Ww pairing antiparallel cis XIX 
+B205-B216 : U-A Ww/Ww pairing antiparallel cis XX 
+B206-B215 : A-U Ww/Ww pairing antiparallel cis XX 
+B207-B214 : G-C Ww/Ww pairing antiparallel cis XIX 
+B208-B213 : C-G Ww/Ww pairing antiparallel cis XIX 
+B209-B212 : G-G Bs/O2P pairing 
+Residue conformations -------------------------------------------
+B201 : G C3p_endo anti
+B202 : G C3p_endo anti
+B203 : A C3p_endo anti
+B204 : C C3p_endo anti
+B205 : U C3p_endo anti
+B206 : A C3p_endo anti
+B207 : G C4p_exo anti
+B208 : C O4p_exo anti
+B209 : G O4p_exo anti
+B210 : G C4p_endo anti
+B211 : A C2p_endo anti
+B212 : G C3p_endo anti
+B213 : G C2p_exo anti
+B214 : C C3p_endo anti
+B215 : U C3p_endo anti
+B216 : A C4p_exo anti
+B217 : G C4p_exo anti
+B218 : U C4p_exo anti
+B219 : C C3p_endo anti
+B220 : C C4p_endo anti
+A1 : MET
+A2 : GLN
+A3 : LYS
+A4 : GLY
+A5 : ASN
+A6 : PHE
+A7 : ARG
+A8 : ASN
+A9 : GLN
+A10 : ARG
+A11 : LYS
+A12 : THR
+A13 : VAL
+A14 : LYS
+A15 : CYS
+A16 : PHE
+A17 : ASN
+A18 : CYS
+A19 : GLY
+A20 : LYS
+A21 : GLU
+A22 : GLY
+A23 : HIS
+A24 : ILE
+A25 : ALA
+A26 : LYS
+A27 : ASN
+A28 : CYS
+A29 : ARG
+A30 : ALA
+A31 : PRO
+A32 : ARG
+A33 : LYS
+A34 : LYS
+A35 : GLY
+A36 : CYS
+A37 : TRP
+A38 : LYS
+A39 : CYS
+A40 : GLY
+A41 : LYS
+A42 : GLU
+A43 : GLY
+A44 : HIS
+A45 : GLN
+A46 : MET
+A47 : LYS
+A48 : ASP
+A49 : CYS
+A50 : THR
+A51 : GLU
+A52 : ARG
+A53 : GLN
+A54 : ALA
+A55 : ASN
+A56 : ZN
+A57 : ZN
+Adjacent stackings ----------------------------------------------
+B201-B202 : adjacent_5p upward 
+B202-B203 : adjacent_5p upward 
+B203-B204 : adjacent_5p upward 
+B204-B205 : adjacent_5p upward 
+B206-B207 : adjacent_5p upward 
+B207-B208 : adjacent_5p upward 
+B213-B214 : adjacent_5p upward 
+B214-B215 : adjacent_5p upward 
+B216-B217 : adjacent_5p upward 
+B217-B218 : adjacent_5p upward 
+B218-B219 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 11
+Number of adjacent stackings = 11
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A32-B211 : ARG-A pairing one_hbond 
+A46-B210 : MET-G pairing one_hbond 
+B201-B220 : G-C Ww/Ww pairing antiparallel cis XIX 
+B202-B219 : G-C Ww/Ww pairing antiparallel cis XIX 
+B203-B218 : A-U Ww/Ww pairing antiparallel cis XX 
+B204-B217 : C-G Ww/Ww pairing antiparallel cis XIX 
+B205-B216 : U-A Ww/Ww pairing antiparallel cis XX 
+B206-B215 : A-U Ww/Ww pairing antiparallel cis XX 
+B207-B214 : G-C Ww/Ww pairing antiparallel cis XIX 
+B208-B213 : C-G Ww/Ww pairing antiparallel cis 
+Residue conformations -------------------------------------------
+B201 : G C3p_endo anti
+B202 : G C3p_endo anti
+B203 : A C3p_endo anti
+B204 : C C3p_endo anti
+B205 : U C4p_exo anti
+B206 : A C4p_exo anti
+B207 : G C4p_exo anti
+B208 : C C3p_endo anti
+B209 : G C3p_endo anti
+B210 : G O4p_exo anti
+B211 : A C2p_endo anti
+B212 : G C4p_exo anti
+B213 : G C1p_endo anti
+B214 : C C3p_endo anti
+B215 : U C4p_endo anti
+B216 : A C4p_exo anti
+B217 : G C3p_endo anti
+B218 : U C3p_endo anti
+B219 : C C3p_endo anti
+B220 : C C3p_endo anti
+A1 : MET
+A2 : GLN
+A3 : LYS
+A4 : GLY
+A5 : ASN
+A6 : PHE
+A7 : ARG
+A8 : ASN
+A9 : GLN
+A10 : ARG
+A11 : LYS
+A12 : THR
+A13 : VAL
+A14 : LYS
+A15 : CYS
+A16 : PHE
+A17 : ASN
+A18 : CYS
+A19 : GLY
+A20 : LYS
+A21 : GLU
+A22 : GLY
+A23 : HIS
+A24 : ILE
+A25 : ALA
+A26 : LYS
+A27 : ASN
+A28 : CYS
+A29 : ARG
+A30 : ALA
+A31 : PRO
+A32 : ARG
+A33 : LYS
+A34 : LYS
+A35 : GLY
+A36 : CYS
+A37 : TRP
+A38 : LYS
+A39 : CYS
+A40 : GLY
+A41 : LYS
+A42 : GLU
+A43 : GLY
+A44 : HIS
+A45 : GLN
+A46 : MET
+A47 : LYS
+A48 : ASP
+A49 : CYS
+A50 : THR
+A51 : GLU
+A52 : ARG
+A53 : GLN
+A54 : ALA
+A55 : ASN
+A56 : ZN
+A57 : ZN
+Adjacent stackings ----------------------------------------------
+B203-B204 : adjacent_5p upward 
+B206-B207 : adjacent_5p upward 
+B207-B208 : adjacent_5p upward 
+B208-B209 : adjacent_5p upward 
+B213-B214 : adjacent_5p upward 
+B214-B215 : adjacent_5p upward 
+B216-B217 : adjacent_5p upward 
+B217-B218 : adjacent_5p upward 
+B218-B219 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+B206-B216 : outward 
+Number of stackings = 10
+Number of adjacent stackings = 9
+Number of non adjacent stackings = 1
+Base-pairs ------------------------------------------------------
+A32-B211 : ARG-A pairing one_hbond 
+A46-B210 : MET-G pairing one_hbond 
+B201-B219 : G-C Hw/Wh pairing antiparallel cis one_hbond 122 
+B201-B220 : G-C Ww/Ww pairing antiparallel cis XIX 
+B202-B219 : G-C Ww/Ww pairing antiparallel cis XIX 
+B203-B218 : A-U Ww/Ww pairing antiparallel cis XX 
+B204-B217 : C-G Ww/Ww pairing antiparallel cis 
+B205-B216 : U-A Ww/Ww pairing antiparallel cis XX 
+B206-B215 : A-U Ww/Ww pairing antiparallel cis XX 
+B207-B214 : G-C Ww/Ww pairing antiparallel cis XIX 
+B208-B213 : C-G Ww/Ww pairing antiparallel cis XIX 
+Residue conformations -------------------------------------------
+B201 : G C3p_endo anti
+B202 : G C3p_endo anti
+B203 : A C3p_endo anti
+B204 : C C3p_endo anti
+B205 : U C3p_endo anti
+B206 : A C4p_exo anti
+B207 : G C3p_endo anti
+B208 : C O4p_exo anti
+B209 : G C3p_endo anti
+B210 : G C4p_endo anti
+B211 : A C2p_endo anti
+B212 : G O4p_endo anti
+B213 : G C2p_exo anti
+B214 : C C2p_exo anti
+B215 : U C2p_exo anti
+B216 : A C4p_exo anti
+B217 : G C4p_exo anti
+B218 : U C4p_exo anti
+B219 : C C4p_exo anti
+B220 : C C4p_exo anti
+A1 : MET
+A2 : GLN
+A3 : LYS
+A4 : GLY
+A5 : ASN
+A6 : PHE
+A7 : ARG
+A8 : ASN
+A9 : GLN
+A10 : ARG
+A11 : LYS
+A12 : THR
+A13 : VAL
+A14 : LYS
+A15 : CYS
+A16 : PHE
+A17 : ASN
+A18 : CYS
+A19 : GLY
+A20 : LYS
+A21 : GLU
+A22 : GLY
+A23 : HIS
+A24 : ILE
+A25 : ALA
+A26 : LYS
+A27 : ASN
+A28 : CYS
+A29 : ARG
+A30 : ALA
+A31 : PRO
+A32 : ARG
+A33 : LYS
+A34 : LYS
+A35 : GLY
+A36 : CYS
+A37 : TRP
+A38 : LYS
+A39 : CYS
+A40 : GLY
+A41 : LYS
+A42 : GLU
+A43 : GLY
+A44 : HIS
+A45 : GLN
+A46 : MET
+A47 : LYS
+A48 : ASP
+A49 : CYS
+A50 : THR
+A51 : GLU
+A52 : ARG
+A53 : GLN
+A54 : ALA
+A55 : ASN
+A56 : ZN
+A57 : ZN
+Adjacent stackings ----------------------------------------------
+B202-B203 : adjacent_5p upward 
+B203-B204 : adjacent_5p upward 
+B204-B205 : adjacent_5p upward 
+B206-B207 : adjacent_5p upward 
+B207-B208 : adjacent_5p upward 
+B208-B209 : adjacent_5p upward 
+B213-B214 : adjacent_5p upward 
+B214-B215 : adjacent_5p upward 
+B216-B217 : adjacent_5p upward 
+B217-B218 : adjacent_5p upward 
+B218-B219 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 11
+Number of adjacent stackings = 11
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A32-B211 : ARG-A pairing one_hbond 
+A46-B210 : MET-G pairing one_hbond 
+B201-B220 : G-C Ww/Ww pairing antiparallel cis XIX 
+B202-B219 : G-C Ww/Ww pairing antiparallel cis XIX 
+B203-B218 : A-U Ww/Ww pairing antiparallel cis XX 
+B204-B217 : C-G Ww/Ww pairing antiparallel cis XIX 
+B205-B216 : U-A Ww/Ww pairing antiparallel cis XX 
+B206-B215 : A-U Ww/Ww pairing antiparallel cis XX 
+B207-B214 : G-C Ww/Ww pairing antiparallel cis XIX 
+B208-B213 : C-G Ww/Ww pairing antiparallel cis XIX 
+Residue conformations -------------------------------------------
+B201 : G C3p_endo anti
+B202 : G C3p_endo anti
+B203 : A C3p_endo anti
+B204 : C C3p_endo anti
+B205 : U C4p_exo anti
+B206 : A C4p_exo anti
+B207 : G C3p_endo anti
+B208 : C C3p_endo anti
+B209 : G C4p_exo anti
+B210 : G C4p_endo anti
+B211 : A C2p_endo anti
+B212 : G O4p_endo anti
+B213 : G O4p_exo anti
+B214 : C C2p_exo anti
+B215 : U O4p_exo anti
+B216 : A C4p_exo anti
+B217 : G C3p_endo anti
+B218 : U C4p_exo anti
+B219 : C C3p_endo anti
+B220 : C C3p_endo anti
+A1 : MET
+A2 : GLN
+A3 : LYS
+A4 : GLY
+A5 : ASN
+A6 : PHE
+A7 : ARG
+A8 : ASN
+A9 : GLN
+A10 : ARG
+A11 : LYS
+A12 : THR
+A13 : VAL
+A14 : LYS
+A15 : CYS
+A16 : PHE
+A17 : ASN
+A18 : CYS
+A19 : GLY
+A20 : LYS
+A21 : GLU
+A22 : GLY
+A23 : HIS
+A24 : ILE
+A25 : ALA
+A26 : LYS
+A27 : ASN
+A28 : CYS
+A29 : ARG
+A30 : ALA
+A31 : PRO
+A32 : ARG
+A33 : LYS
+A34 : LYS
+A35 : GLY
+A36 : CYS
+A37 : TRP
+A38 : LYS
+A39 : CYS
+A40 : GLY
+A41 : LYS
+A42 : GLU
+A43 : GLY
+A44 : HIS
+A45 : GLN
+A46 : MET
+A47 : LYS
+A48 : ASP
+A49 : CYS
+A50 : THR
+A51 : GLU
+A52 : ARG
+A53 : GLN
+A54 : ALA
+A55 : ASN
+A56 : ZN
+A57 : ZN
+Adjacent stackings ----------------------------------------------
+B203-B204 : adjacent_5p upward 
+B206-B207 : adjacent_5p upward 
+B208-B209 : adjacent_5p upward 
+B213-B214 : adjacent_5p upward 
+B214-B215 : adjacent_5p upward 
+B216-B217 : adjacent_5p upward 
+B218-B219 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 7
+Number of adjacent stackings = 7
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A32-B211 : ARG-A pairing one_hbond 
+A46-B210 : MET-G pairing one_hbond 
+B201-B220 : G-C Ww/Ww pairing antiparallel cis XIX 
+B202-B219 : G-C Ww/Ww pairing antiparallel cis XIX 
+B203-B218 : A-U Ww/Ww pairing antiparallel cis XX 
+B204-B217 : C-G Ww/Ww pairing antiparallel cis XIX 
+B205-B216 : U-A Ww/Ww pairing antiparallel cis XX 
+B206-B215 : A-U Ww/Ww pairing antiparallel cis XX 
+B207-B214 : G-C Ww/Ww pairing antiparallel cis XIX 
+B208-B213 : C-G Ww/Ww pairing antiparallel cis XIX 
+Residue conformations -------------------------------------------
+B201 : G C3p_endo anti
+B202 : G C3p_endo anti
+B203 : A C3p_endo anti
+B204 : C C3p_endo anti
+B205 : U C4p_exo anti
+B206 : A C3p_endo anti
+B207 : G C4p_exo anti
+B208 : C C4p_exo anti
+B209 : G C4p_exo anti
+B210 : G C4p_endo anti
+B211 : A C3p_exo anti
+B212 : G O4p_endo anti
+B213 : G C2p_exo anti
+B214 : C C3p_endo anti
+B215 : U C3p_endo anti
+B216 : A C4p_exo anti
+B217 : G C3p_endo anti
+B218 : U C4p_exo anti
+B219 : C C4p_exo anti
+B220 : C C3p_endo anti
+A1 : MET
+A2 : GLN
+A3 : LYS
+A4 : GLY
+A5 : ASN
+A6 : PHE
+A7 : ARG
+A8 : ASN
+A9 : GLN
+A10 : ARG
+A11 : LYS
+A12 : THR
+A13 : VAL
+A14 : LYS
+A15 : CYS
+A16 : PHE
+A17 : ASN
+A18 : CYS
+A19 : GLY
+A20 : LYS
+A21 : GLU
+A22 : GLY
+A23 : HIS
+A24 : ILE
+A25 : ALA
+A26 : LYS
+A27 : ASN
+A28 : CYS
+A29 : ARG
+A30 : ALA
+A31 : PRO
+A32 : ARG
+A33 : LYS
+A34 : LYS
+A35 : GLY
+A36 : CYS
+A37 : TRP
+A38 : LYS
+A39 : CYS
+A40 : GLY
+A41 : LYS
+A42 : GLU
+A43 : GLY
+A44 : HIS
+A45 : GLN
+A46 : MET
+A47 : LYS
+A48 : ASP
+A49 : CYS
+A50 : THR
+A51 : GLU
+A52 : ARG
+A53 : GLN
+A54 : ALA
+A55 : ASN
+A56 : ZN
+A57 : ZN
+Adjacent stackings ----------------------------------------------
+B202-B203 : adjacent_5p upward 
+B203-B204 : adjacent_5p upward 
+B206-B207 : adjacent_5p upward 
+B207-B208 : adjacent_5p upward 
+B213-B214 : adjacent_5p upward 
+B214-B215 : adjacent_5p upward 
+B216-B217 : adjacent_5p upward 
+B217-B218 : adjacent_5p upward 
+B218-B219 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 9
+Number of adjacent stackings = 9
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A32-B211 : ARG-A pairing one_hbond 
+B201-B220 : G-C Ww/Ww pairing antiparallel cis XIX 
+B202-B219 : G-C Ww/Ww pairing antiparallel cis XIX 
+B203-B218 : A-U Ww/Ww pairing antiparallel cis XX 
+B204-B217 : C-G Ww/Ww pairing antiparallel cis XIX 
+B205-B216 : U-A Ww/Ww pairing antiparallel cis XX 
+B206-B215 : A-U Ww/Ww pairing antiparallel cis XX 
+B207-B214 : G-C Ww/Ww pairing antiparallel cis XIX 
+B208-B213 : C-G Ww/Ww pairing antiparallel cis XIX 
+Residue conformations -------------------------------------------
+B201 : G C3p_endo anti
+B202 : G C3p_endo anti
+B203 : A C3p_endo anti
+B204 : C C3p_endo anti
+B205 : U C4p_exo anti
+B206 : A C4p_exo anti
+B207 : G C4p_exo anti
+B208 : C C4p_exo anti
+B209 : G C2p_exo anti
+B210 : G C4p_endo anti
+B211 : A C2p_endo anti
+B212 : G C3p_exo anti
+B213 : G C2p_exo anti
+B214 : C C3p_endo anti
+B215 : U C4p_exo anti
+B216 : A C4p_exo anti
+B217 : G C4p_exo anti
+B218 : U C4p_exo anti
+B219 : C C3p_endo anti
+B220 : C C3p_endo anti
+A1 : MET
+A2 : GLN
+A3 : LYS
+A4 : GLY
+A5 : ASN
+A6 : PHE
+A7 : ARG
+A8 : ASN
+A9 : GLN
+A10 : ARG
+A11 : LYS
+A12 : THR
+A13 : VAL
+A14 : LYS
+A15 : CYS
+A16 : PHE
+A17 : ASN
+A18 : CYS
+A19 : GLY
+A20 : LYS
+A21 : GLU
+A22 : GLY
+A23 : HIS
+A24 : ILE
+A25 : ALA
+A26 : LYS
+A27 : ASN
+A28 : CYS
+A29 : ARG
+A30 : ALA
+A31 : PRO
+A32 : ARG
+A33 : LYS
+A34 : LYS
+A35 : GLY
+A36 : CYS
+A37 : TRP
+A38 : LYS
+A39 : CYS
+A40 : GLY
+A41 : LYS
+A42 : GLU
+A43 : GLY
+A44 : HIS
+A45 : GLN
+A46 : MET
+A47 : LYS
+A48 : ASP
+A49 : CYS
+A50 : THR
+A51 : GLU
+A52 : ARG
+A53 : GLN
+A54 : ALA
+A55 : ASN
+A56 : ZN
+A57 : ZN
+Adjacent stackings ----------------------------------------------
+B202-B203 : adjacent_5p upward 
+B203-B204 : adjacent_5p upward 
+B204-B205 : adjacent_5p upward 
+B206-B207 : adjacent_5p upward 
+B207-B208 : adjacent_5p upward 
+B208-B209 : adjacent_5p upward 
+B213-B214 : adjacent_5p upward 
+B214-B215 : adjacent_5p upward 
+B216-B217 : adjacent_5p upward 
+B217-B218 : adjacent_5p upward 
+B218-B219 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 11
+Number of adjacent stackings = 11
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A32-B211 : ARG-A pairing one_hbond 
+A46-B210 : MET-G pairing one_hbond 
+B201-B220 : G-C Ww/Ww pairing antiparallel cis XIX 
+B202-B219 : G-C Ww/Ww pairing antiparallel cis XIX 
+B203-B218 : A-U Ww/Ww pairing antiparallel cis XX 
+B204-B217 : C-G Ww/Ww pairing antiparallel cis XIX 
+B205-B216 : U-A Ww/Ww pairing antiparallel cis XX 
+B206-B215 : A-U Ww/Ww pairing antiparallel cis XX 
+B207-B214 : G-C Ww/Ww pairing antiparallel cis XIX 
+B208-B213 : C-G Ww/Ww pairing antiparallel cis XIX 
+Residue conformations -------------------------------------------
+B201 : G C3p_endo anti
+B202 : G C3p_endo anti
+B203 : A C3p_endo anti
+B204 : C C3p_endo anti
+B205 : U C3p_endo anti
+B206 : A C4p_exo anti
+B207 : G C4p_exo anti
+B208 : C C4p_exo anti
+B209 : G C2p_exo anti
+B210 : G O4p_exo anti
+B211 : A C2p_endo anti
+B212 : G O4p_endo anti
+B213 : G C2p_exo anti
+B214 : C C3p_endo anti
+B215 : U C4p_exo anti
+B216 : A C4p_exo anti
+B217 : G C4p_exo anti
+B218 : U C3p_endo anti
+B219 : C C3p_endo anti
+B220 : C C3p_endo anti
+A1 : MET
+A2 : GLN
+A3 : LYS
+A4 : GLY
+A5 : ASN
+A6 : PHE
+A7 : ARG
+A8 : ASN
+A9 : GLN
+A10 : ARG
+A11 : LYS
+A12 : THR
+A13 : VAL
+A14 : LYS
+A15 : CYS
+A16 : PHE
+A17 : ASN
+A18 : CYS
+A19 : GLY
+A20 : LYS
+A21 : GLU
+A22 : GLY
+A23 : HIS
+A24 : ILE
+A25 : ALA
+A26 : LYS
+A27 : ASN
+A28 : CYS
+A29 : ARG
+A30 : ALA
+A31 : PRO
+A32 : ARG
+A33 : LYS
+A34 : LYS
+A35 : GLY
+A36 : CYS
+A37 : TRP
+A38 : LYS
+A39 : CYS
+A40 : GLY
+A41 : LYS
+A42 : GLU
+A43 : GLY
+A44 : HIS
+A45 : GLN
+A46 : MET
+A47 : LYS
+A48 : ASP
+A49 : CYS
+A50 : THR
+A51 : GLU
+A52 : ARG
+A53 : GLN
+A54 : ALA
+A55 : ASN
+A56 : ZN
+A57 : ZN
+Adjacent stackings ----------------------------------------------
+B203-B204 : adjacent_5p upward 
+B204-B205 : adjacent_5p upward 
+B206-B207 : adjacent_5p upward 
+B207-B208 : adjacent_5p upward pairing 
+B208-B209 : adjacent_5p upward 
+B213-B214 : adjacent_5p upward 
+B214-B215 : adjacent_5p upward 
+B216-B217 : adjacent_5p upward 
+B217-B218 : adjacent_5p upward 
+B218-B219 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 10
+Number of adjacent stackings = 10
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A32-B211 : ARG-A pairing one_hbond 
+A46-B210 : MET-G pairing one_hbond 
+B201-B220 : G-C Ww/Ww pairing antiparallel cis XIX 
+B202-B219 : G-C Ww/Ww pairing antiparallel cis XIX 
+B203-B218 : A-U Ww/Ww pairing antiparallel cis XX 
+B204-B217 : C-G Ww/Ww pairing antiparallel cis XIX 
+B205-B216 : U-A Ww/Ww pairing antiparallel cis XX 
+B206-B215 : A-U Ww/Ww pairing antiparallel cis XX 
+B207-B208 : G-C O2'/Hh adjacent_5p upward pairing 
+B207-B214 : G-C Ww/Ww pairing antiparallel cis XIX 
+B208-B213 : C-G Ww/Ww pairing antiparallel cis one_hbond 
diff --git a/MCdata/1a34_MC b/MCdata/1a34_MC
new file mode 100644
index 0000000000000000000000000000000000000000..3130011119aa29260726c264869b0852bfeceb81
--- /dev/null
+++ b/MCdata/1a34_MC
@@ -0,0 +1,365 @@
+Residue conformations -------------------------------------------
+A13 : THR
+A14 : GLY
+A15 : ASP
+A16 : ASN
+A17 : SER
+A18 : ASN
+A19 : VAL
+A20 : VAL
+A21 : THR
+A22 : MET
+A23 : ILE
+A24 : ARG
+A25 : ALA
+A26 : GLY
+A27 : SER
+A28 : TYR
+A29 : PRO
+A30 : LYS
+A31 : VAL
+A32 : ASN
+A33 : PRO
+A34 : THR
+A35 : PRO
+A36 : THR
+A37 : TRP
+A38 : VAL
+A39 : ARG
+A40 : ALA
+A41 : ILE
+A42 : PRO
+A43 : PHE
+A44 : GLU
+A45 : VAL
+A46 : SER
+A47 : VAL
+A48 : GLN
+A49 : SER
+A50 : GLY
+A51 : ILE
+A52 : ALA
+A53 : PHE
+A54 : LYS
+A55 : VAL
+A56 : PRO
+A57 : VAL
+A58 : GLY
+A59 : SER
+A60 : LEU
+A61 : PHE
+A62 : SER
+A63 : ALA
+A64 : ASN
+A65 : PHE
+A66 : ARG
+A67 : THR
+A68 : ASP
+A69 : SER
+A70 : PHE
+A71 : THR
+A72 : SER
+A73 : VAL
+A74 : THR
+A75 : VAL
+A76 : MET
+A77 : SER
+A78 : VAL
+A79 : ARG
+A80 : ALA
+A81 : TRP
+A82 : THR
+A83 : GLN
+A84 : LEU
+A85 : THR
+A86 : PRO
+A87 : PRO
+A88 : VAL
+A89 : ASN
+A90 : GLU
+A91 : TYR
+A92 : SER
+A93 : PHE
+A94 : VAL
+A95 : ARG
+A96 : LEU
+A97 : LYS
+A98 : PRO
+A99 : LEU
+A100 : PHE
+A101 : LYS
+A102 : THR
+A103 : GLY
+A104 : ASP
+A105 : SER
+A106 : THR
+A107 : GLU
+A108 : GLU
+A109 : PHE
+A110 : GLU
+A111 : GLY
+A112 : ARG
+A113 : ALA
+A114 : SER
+A115 : ASN
+A116 : ILE
+A117 : ASN
+A118 : THR
+A119 : ARG
+A120 : ALA
+A121 : SER
+A122 : VAL
+A123 : GLY
+A124 : TYR
+A125 : ARG
+A126 : ILE
+A127 : PRO
+A128 : THR
+A129 : ASN
+A130 : LEU
+A131 : ARG
+A132 : GLN
+A133 : ASN
+A134 : THR
+A135 : VAL
+A136 : ALA
+A137 : ALA
+A138 : ASP
+A139 : ASN
+A140 : VAL
+A141 : CYS
+A142 : GLU
+A143 : VAL
+A144 : ARG
+A145 : SER
+A146 : ASN
+A147 : CYS
+A148 : ARG
+A149 : GLN
+A150 : VAL
+A151 : ALA
+A152 : LEU
+A153 : VAL
+A154 : ILE
+A155 : SER
+A156 : CYS
+A157 : CYS
+A158 : PHE
+A159 : ASN
+B1 : A C3p_endo anti
+B2 : A C3p_endo anti
+B3 : A C3p_endo anti
+B4 : A C3p_endo anti
+B5 : A C3p_endo anti
+B6 : A C3p_endo anti
+B7 : A C3p_endo anti
+B8 : A C3p_endo anti
+B9 : A C3p_endo anti
+B10 : A C3p_endo anti
+C1 : U C2p_exo anti
+C2 : U C3p_endo anti
+C3 : U C3p_endo anti
+C4 : U C3p_endo anti
+C5 : U C3p_endo anti
+C6 : U C3p_endo anti
+C7 : U C3p_endo anti
+C8 : U C3p_endo anti
+C9 : U C3p_endo anti
+C10 : U C3p_endo anti
+A3001 : SO4
+B11 : U C2p_endo unknown
+A2001 : HOH
+A2002 : HOH
+A2003 : HOH
+A2004 : HOH
+A2005 : HOH
+A2006 : HOH
+A2007 : HOH
+A2008 : HOH
+A2009 : HOH
+A2010 : HOH
+A2011 : HOH
+A2012 : HOH
+A2013 : HOH
+A2014 : HOH
+A2015 : HOH
+A2016 : HOH
+A2017 : HOH
+A2018 : HOH
+A2019 : HOH
+A2020 : HOH
+A2021 : HOH
+A2022 : HOH
+A2023 : HOH
+A2024 : HOH
+A2101 : HOH
+A2102 : HOH
+A2103 : HOH
+A2104 : HOH
+A2105 : HOH
+A2106 : HOH
+A2107 : HOH
+A2108 : HOH
+A2109 : HOH
+A2110 : HOH
+A2111 : HOH
+A2112 : HOH
+A2113 : HOH
+A2114 : HOH
+A2115 : HOH
+A2116 : HOH
+A2117 : HOH
+A2118 : HOH
+A2119 : HOH
+A2120 : HOH
+A2121 : HOH
+A2122 : HOH
+A2123 : HOH
+A2124 : HOH
+A2125 : HOH
+A2126 : HOH
+A2127 : HOH
+A2128 : HOH
+A2129 : HOH
+A2130 : HOH
+A2131 : HOH
+A2132 : HOH
+A2133 : HOH
+A2134 : HOH
+A2135 : HOH
+A2136 : HOH
+A2137 : HOH
+A2138 : HOH
+A2139 : HOH
+A2140 : HOH
+A2141 : HOH
+A2142 : HOH
+A2143 : HOH
+A2144 : HOH
+A2145 : HOH
+A2146 : HOH
+A2147 : HOH
+A2148 : HOH
+A2149 : HOH
+A2150 : HOH
+A2151 : HOH
+A2152 : HOH
+A2153 : HOH
+A2154 : HOH
+A2155 : HOH
+A2156 : HOH
+A2157 : HOH
+A2158 : HOH
+A2159 : HOH
+A2160 : HOH
+A2161 : HOH
+A2162 : HOH
+A2163 : HOH
+A2164 : HOH
+A2165 : HOH
+A2166 : HOH
+A2167 : HOH
+A2168 : HOH
+A2169 : HOH
+A2170 : HOH
+A2171 : HOH
+A2172 : HOH
+A2173 : HOH
+A2174 : HOH
+A2175 : HOH
+A2176 : HOH
+A2177 : HOH
+A2178 : HOH
+A2179 : HOH
+A2180 : HOH
+A2181 : HOH
+A2182 : HOH
+A2183 : HOH
+A2184 : HOH
+A2185 : HOH
+A2186 : HOH
+A2187 : HOH
+A2188 : HOH
+A2189 : HOH
+A2190 : HOH
+A2191 : HOH
+A2192 : HOH
+A2193 : HOH
+A2194 : HOH
+A2195 : HOH
+A2196 : HOH
+A2197 : HOH
+A2198 : HOH
+A2199 : HOH
+A2207 : HOH
+A2301 : HOH
+A2302 : HOH
+A2303 : HOH
+A2304 : HOH
+A2305 : HOH
+A2306 : HOH
+A2401 : HOH
+A2402 : HOH
+A2403 : HOH
+A2404 : HOH
+A2405 : HOH
+A2501 : HOH
+A2502 : HOH
+A2503 : HOH
+A2504 : HOH
+A2505 : HOH
+A2506 : HOH
+A2507 : HOH
+A2508 : HOH
+A2509 : HOH
+A2601 : HOH
+A2606 : HOH
+A2607 : HOH
+A2701 : HOH
+A2901 : HOH
+B2201 : HOH
+B2202 : HOH
+B2203 : HOH
+B2204 : HOH
+B2210 : HOH
+B2211 : HOH
+B2602 : HOH
+B2603 : HOH
+B2604 : HOH
+B2605 : HOH
+B2801 : HOH
+C2205 : HOH
+C2206 : HOH
+C2208 : HOH
+C2209 : HOH
+C2212 : HOH
+C2608 : HOH
+C2609 : HOH
+C2610 : HOH
+Adjacent stackings ----------------------------------------------
+B1-B2 : adjacent_5p upward 
+B2-B3 : adjacent_5p upward 
+B3-B4 : adjacent_5p upward 
+B4-B5 : adjacent_5p upward 
+B5-B6 : adjacent_5p upward 
+B6-B7 : adjacent_5p upward 
+B7-B8 : adjacent_5p upward 
+B8-B9 : adjacent_5p upward 
+C1-C2 : adjacent_5p upward 
+C4-C5 : adjacent_5p upward 
+C5-C6 : adjacent_5p upward 
+C6-C7 : adjacent_5p upward 
+C7-C8 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 13
+Number of adjacent stackings = 13
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+B1-C9 : A-U Ww/Ww pairing antiparallel cis XX 
+B3-C7 : A-U Ww/Ww pairing antiparallel cis XX 
+B4-C6 : A-U Ww/Ww pairing antiparallel cis XX 
+B5-C5 : A-U Ww/Ww pairing antiparallel cis XX 
+B6-C4 : A-U Ww/Ww pairing antiparallel cis XX 
+B7-C3 : A-U Ww/Ww pairing antiparallel cis XX 
+B8-C2 : A-U Ww/Ww pairing antiparallel cis XX 
+B9-C1 : A-U Ww/Ww pairing antiparallel cis XX 
diff --git a/MCdata/1a3m_MC b/MCdata/1a3m_MC
new file mode 100644
index 0000000000000000000000000000000000000000..6471fc9f49d8a7fb05c7c7fd6e696526f22c02b0
--- /dev/null
+++ b/MCdata/1a3m_MC
@@ -0,0 +1,1385 @@
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : C C3p_endo anti
+A4 : G C3p_endo anti
+A5 : U C3p_endo anti
+A6 : C C3p_endo anti
+A7 : A C3p_endo anti
+A8 : C C3p_endo anti
+A9 : A C3p_endo anti
+A10 : C C3p_endo anti
+A11 : C C3p_endo anti
+A12 : U C3p_endo anti
+A13 : U C1p_exo anti
+A14 : C C2p_endo anti
+B15 : G C3p_endo syn
+B16 : G C3p_endo anti
+B17 : G C3p_endo anti
+B18 : U C3p_endo anti
+B19 : G C4p_exo anti
+B20 : A C3p_endo anti
+B21 : A C2p_exo anti
+B22 : G C2p_exo anti
+B23 : U C3p_endo anti
+B24 : C C3p_endo anti
+B25 : G C3p_endo anti
+B26 : C C1p_exo anti
+B27 : C O4p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+B15-B16 : adjacent_5p outward 
+B16-B17 : adjacent_5p upward 
+B17-B18 : adjacent_5p upward 
+B18-B19 : adjacent_5p upward 
+B20-B21 : adjacent_5p upward 
+B21-B22 : adjacent_5p upward 
+B22-B23 : adjacent_5p upward 
+B23-B24 : adjacent_5p upward 
+B24-B25 : adjacent_5p upward 
+B25-B26 : adjacent_5p upward 
+B26-B27 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-B25 : outward 
+A9-B19 : outward 
+A12-A14 : upward 
+Number of stackings = 24
+Number of adjacent stackings = 21
+Number of non adjacent stackings = 3
+Base-pairs ------------------------------------------------------
+A1-B27 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-B26 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-B25 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-B24 : G-C Ww/Ww pairing antiparallel cis XIX 
+A6-B22 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-B19 : C-G Ww/Ww pairing antiparallel cis XIX 
+A9-B18 : A-U Ww/Ww pairing antiparallel cis XX 
+A10-B17 : C-G Ww/Ww pairing antiparallel cis XIX 
+A11-B16 : C-G Ww/Ww pairing antiparallel cis XIX 
+A12-B15 : U-G Bs/Ww pairing parallel trans 87 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : C C3p_endo anti
+A4 : G C3p_endo anti
+A5 : U C3p_endo anti
+A6 : C C3p_endo anti
+A7 : A C3p_endo anti
+A8 : C C3p_endo anti
+A9 : A C3p_endo anti
+A10 : C C3p_endo anti
+A11 : C C3p_endo anti
+A12 : U C3p_endo anti
+A13 : U C1p_exo anti
+A14 : C C2p_endo anti
+B15 : G C3p_endo syn
+B16 : G C3p_endo anti
+B17 : G C3p_endo anti
+B18 : U C3p_endo anti
+B19 : G C4p_exo anti
+B20 : A C3p_endo anti
+B21 : A C2p_exo anti
+B22 : G C3p_endo anti
+B23 : U C3p_endo anti
+B24 : C C3p_endo anti
+B25 : G C3p_endo anti
+B26 : C C1p_exo anti
+B27 : C O4p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+B15-B16 : adjacent_5p outward 
+B16-B17 : adjacent_5p upward 
+B17-B18 : adjacent_5p upward 
+B18-B19 : adjacent_5p upward 
+B20-B21 : adjacent_5p upward 
+B21-B22 : adjacent_5p upward 
+B22-B23 : adjacent_5p upward 
+B23-B24 : adjacent_5p upward 
+B24-B25 : adjacent_5p upward 
+B25-B26 : adjacent_5p upward 
+B26-B27 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-B25 : outward 
+A7-B22 : outward 
+A9-B19 : outward 
+A12-A14 : upward 
+Number of stackings = 26
+Number of adjacent stackings = 22
+Number of non adjacent stackings = 4
+Base-pairs ------------------------------------------------------
+A1-B27 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-B26 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-B25 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-B24 : G-C Ww/Ww pairing antiparallel cis XIX 
+A6-B22 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-B19 : C-G Ww/Ww pairing antiparallel cis XIX 
+A9-B18 : A-U Ww/Ww pairing antiparallel cis XX 
+A10-B17 : C-G Ww/Ww pairing antiparallel cis XIX 
+A11-B16 : C-G Ww/Ww pairing antiparallel cis XIX 
+A12-B15 : U-G Bs/Ww pairing parallel trans 87 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : C C3p_endo anti
+A4 : G C3p_endo anti
+A5 : U C3p_endo anti
+A6 : C C3p_endo anti
+A7 : A C3p_endo anti
+A8 : C C3p_endo anti
+A9 : A C3p_endo anti
+A10 : C C3p_endo anti
+A11 : C C3p_endo anti
+A12 : U C3p_endo anti
+A13 : U C1p_exo anti
+A14 : C C2p_endo anti
+B15 : G C3p_endo syn
+B16 : G C2p_exo anti
+B17 : G C3p_endo anti
+B18 : U C3p_endo anti
+B19 : G C3p_endo anti
+B20 : A C4p_exo anti
+B21 : A C2p_endo anti
+B22 : G C3p_endo anti
+B23 : U C3p_endo anti
+B24 : C C3p_endo anti
+B25 : G C3p_endo anti
+B26 : C C1p_exo anti
+B27 : C O4p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+B15-B16 : adjacent_5p outward 
+B16-B17 : adjacent_5p upward 
+B17-B18 : adjacent_5p upward 
+B18-B19 : adjacent_5p upward 
+B20-B21 : adjacent_5p upward 
+B21-B22 : adjacent_5p upward 
+B22-B23 : adjacent_5p upward 
+B23-B24 : adjacent_5p upward 
+B24-B25 : adjacent_5p upward 
+B25-B26 : adjacent_5p upward 
+B26-B27 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-B25 : outward 
+A9-B19 : outward 
+A12-A14 : upward 
+Number of stackings = 25
+Number of adjacent stackings = 22
+Number of non adjacent stackings = 3
+Base-pairs ------------------------------------------------------
+A1-B27 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-B26 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-B25 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-B24 : G-C Ww/Ww pairing antiparallel cis XIX 
+A6-B22 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-B19 : C-G Ww/Ww pairing antiparallel cis XIX 
+A9-B18 : A-U Ww/Ww pairing antiparallel cis XX 
+A10-B17 : C-G Ww/Ww pairing antiparallel cis XIX 
+A11-B16 : C-G Ww/Ww pairing antiparallel cis XIX 
+A12-B15 : U-G Bs/Ww pairing parallel trans 87 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : C C3p_endo anti
+A4 : G C3p_endo anti
+A5 : U C3p_endo anti
+A6 : C C3p_endo anti
+A7 : A C3p_endo anti
+A8 : C C3p_endo anti
+A9 : A C3p_endo anti
+A10 : C C3p_endo anti
+A11 : C C3p_endo anti
+A12 : U C3p_endo anti
+A13 : U C1p_exo anti
+A14 : C C2p_endo anti
+B15 : G C3p_endo syn
+B16 : G C3p_endo anti
+B17 : G C3p_endo anti
+B18 : U C3p_endo anti
+B19 : G C2p_exo anti
+B20 : A C3p_endo anti
+B21 : A C3p_exo anti
+B22 : G C3p_endo anti
+B23 : U C3p_endo anti
+B24 : C C3p_endo anti
+B25 : G C3p_endo anti
+B26 : C C1p_exo anti
+B27 : C O4p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+B15-B16 : adjacent_5p outward 
+B16-B17 : adjacent_5p upward 
+B17-B18 : adjacent_5p upward 
+B18-B19 : adjacent_5p upward 
+B20-B21 : adjacent_5p upward 
+B22-B23 : adjacent_5p upward 
+B23-B24 : adjacent_5p upward 
+B24-B25 : adjacent_5p upward 
+B25-B26 : adjacent_5p upward 
+B26-B27 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-B25 : outward 
+A7-B22 : outward 
+A9-B19 : outward 
+A12-A14 : upward 
+Number of stackings = 24
+Number of adjacent stackings = 20
+Number of non adjacent stackings = 4
+Base-pairs ------------------------------------------------------
+A1-B27 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-B26 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-B25 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-B24 : G-C Ww/Ww pairing antiparallel cis XIX 
+A6-B22 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-B19 : C-G Ww/Ww pairing antiparallel cis XIX 
+A9-B18 : A-U Ww/Ww pairing antiparallel cis XX 
+A10-B17 : C-G Ww/Ww pairing antiparallel cis XIX 
+A11-B16 : C-G Ww/Ww pairing antiparallel cis XIX 
+A12-B15 : U-G Bs/Ww pairing parallel trans 87 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : C C3p_endo anti
+A4 : G C3p_endo anti
+A5 : U C3p_endo anti
+A6 : C C3p_endo anti
+A7 : A C3p_endo anti
+A8 : C C3p_endo anti
+A9 : A C3p_endo anti
+A10 : C C3p_endo anti
+A11 : C C3p_endo anti
+A12 : U C3p_endo anti
+A13 : U C1p_exo anti
+A14 : C C2p_endo anti
+B15 : G C3p_endo syn
+B16 : G C3p_endo anti
+B17 : G C3p_endo anti
+B18 : U C3p_endo anti
+B19 : G C3p_endo anti
+B20 : A C4p_exo anti
+B21 : A C3p_endo anti
+B22 : G C2p_exo anti
+B23 : U C3p_endo anti
+B24 : C C3p_endo anti
+B25 : G C3p_endo anti
+B26 : C C1p_exo anti
+B27 : C O4p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+B15-B16 : adjacent_5p outward 
+B16-B17 : adjacent_5p upward 
+B17-B18 : adjacent_5p upward 
+B18-B19 : adjacent_5p upward 
+B21-B22 : adjacent_5p upward 
+B22-B23 : adjacent_5p upward 
+B23-B24 : adjacent_5p upward 
+B24-B25 : adjacent_5p upward 
+B25-B26 : adjacent_5p upward 
+B26-B27 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-B25 : outward 
+A7-B22 : outward 
+A9-B19 : outward 
+A12-A14 : upward 
+Number of stackings = 24
+Number of adjacent stackings = 20
+Number of non adjacent stackings = 4
+Base-pairs ------------------------------------------------------
+A1-B27 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-B26 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-B25 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-B24 : G-C Ww/Ww pairing antiparallel cis XIX 
+A6-B22 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-B19 : C-G Ww/Ww pairing antiparallel cis XIX 
+A9-B18 : A-U Ww/Ww pairing antiparallel cis XX 
+A10-B17 : C-G Ww/Ww pairing antiparallel cis XIX 
+A11-B16 : C-G Ww/Ww pairing antiparallel cis XIX 
+A12-B15 : U-G Bs/Ww pairing parallel trans 87 
+B20-B21 : A-A O2'/C8 adjacent_5p pairing 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : C C3p_endo anti
+A4 : G C3p_endo anti
+A5 : U C3p_endo anti
+A6 : C C3p_endo anti
+A7 : A C3p_endo anti
+A8 : C C3p_endo anti
+A9 : A C3p_endo anti
+A10 : C C3p_endo anti
+A11 : C C3p_endo anti
+A12 : U C3p_endo anti
+A13 : U C1p_exo anti
+A14 : C C2p_endo anti
+B15 : G C3p_endo syn
+B16 : G C3p_endo anti
+B17 : G C3p_endo anti
+B18 : U C3p_endo anti
+B19 : G C2p_exo anti
+B20 : A C3p_endo anti
+B21 : A C2p_endo anti
+B22 : G C3p_endo anti
+B23 : U C3p_endo anti
+B24 : C C3p_endo anti
+B25 : G C3p_endo anti
+B26 : C C1p_exo anti
+B27 : C O4p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+B15-B16 : adjacent_5p outward 
+B16-B17 : adjacent_5p upward 
+B17-B18 : adjacent_5p upward 
+B18-B19 : adjacent_5p upward 
+B20-B21 : adjacent_5p upward 
+B21-B22 : adjacent_5p upward 
+B22-B23 : adjacent_5p upward 
+B23-B24 : adjacent_5p upward 
+B24-B25 : adjacent_5p upward 
+B25-B26 : adjacent_5p upward 
+B26-B27 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-B25 : outward 
+A7-B22 : outward 
+A9-B19 : outward 
+A12-A14 : upward 
+Number of stackings = 26
+Number of adjacent stackings = 22
+Number of non adjacent stackings = 4
+Base-pairs ------------------------------------------------------
+A1-B27 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-B26 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-B25 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-B24 : G-C Ww/Ww pairing antiparallel cis XIX 
+A6-B22 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-B19 : C-G Ww/Ww pairing antiparallel cis XIX 
+A9-B18 : A-U Ww/Ww pairing antiparallel cis XX 
+A10-B17 : C-G Ww/Ww pairing antiparallel cis XIX 
+A11-B16 : C-G Ww/Ww pairing antiparallel cis XIX 
+A12-B15 : U-G Bs/Ww pairing parallel trans 87 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : C C3p_endo anti
+A4 : G C3p_endo anti
+A5 : U C3p_endo anti
+A6 : C C3p_endo anti
+A7 : A C3p_endo anti
+A8 : C C3p_endo anti
+A9 : A C3p_endo anti
+A10 : C C3p_endo anti
+A11 : C C3p_endo anti
+A12 : U C3p_endo anti
+A13 : U C1p_exo anti
+A14 : C C2p_endo anti
+B15 : G C3p_endo syn
+B16 : G C3p_endo anti
+B17 : G C3p_endo anti
+B18 : U C3p_endo anti
+B19 : G C2p_exo anti
+B20 : A C3p_endo anti
+B21 : A C2p_exo anti
+B22 : G C3p_endo anti
+B23 : U C3p_endo anti
+B24 : C C3p_endo anti
+B25 : G C3p_endo anti
+B26 : C C1p_exo anti
+B27 : C O4p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+B15-B16 : adjacent_5p outward 
+B16-B17 : adjacent_5p upward 
+B17-B18 : adjacent_5p upward 
+B18-B19 : adjacent_5p upward 
+B20-B21 : adjacent_5p upward 
+B21-B22 : adjacent_5p upward 
+B22-B23 : adjacent_5p upward 
+B23-B24 : adjacent_5p upward 
+B24-B25 : adjacent_5p upward 
+B25-B26 : adjacent_5p upward 
+B26-B27 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-B25 : outward 
+A7-B22 : outward 
+A9-B19 : outward 
+A12-A14 : upward 
+Number of stackings = 26
+Number of adjacent stackings = 22
+Number of non adjacent stackings = 4
+Base-pairs ------------------------------------------------------
+A1-B27 : G-C Ww/Ww pairing antiparallel cis 
+A2-B26 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-B25 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-B24 : G-C Ww/Ww pairing antiparallel cis XIX 
+A6-B22 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-B19 : C-G Ww/Ww pairing antiparallel cis XIX 
+A9-B18 : A-U Ww/Ww pairing antiparallel cis XX 
+A10-B17 : C-G Ww/Ww pairing antiparallel cis XIX 
+A11-B16 : C-G Ww/Ww pairing antiparallel cis XIX 
+A12-B15 : U-G Bs/Ww pairing parallel trans 87 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : C C3p_endo anti
+A4 : G C3p_endo anti
+A5 : U C3p_endo anti
+A6 : C C3p_endo anti
+A7 : A C3p_endo anti
+A8 : C C3p_endo anti
+A9 : A C3p_endo anti
+A10 : C C3p_endo anti
+A11 : C C3p_endo anti
+A12 : U C3p_endo anti
+A13 : U C1p_exo anti
+A14 : C C2p_endo anti
+B15 : G C3p_endo syn
+B16 : G C3p_endo anti
+B17 : G C3p_endo anti
+B18 : U C3p_endo anti
+B19 : G C2p_exo anti
+B20 : A C3p_endo anti
+B21 : A C2p_exo anti
+B22 : G C3p_endo anti
+B23 : U C3p_endo anti
+B24 : C C3p_endo anti
+B25 : G C3p_endo anti
+B26 : C C1p_exo anti
+B27 : C O4p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+B15-B16 : adjacent_5p outward 
+B16-B17 : adjacent_5p upward 
+B17-B18 : adjacent_5p upward 
+B18-B19 : adjacent_5p upward 
+B20-B21 : adjacent_5p upward 
+B21-B22 : adjacent_5p upward 
+B22-B23 : adjacent_5p upward 
+B23-B24 : adjacent_5p upward 
+B24-B25 : adjacent_5p upward 
+B25-B26 : adjacent_5p upward 
+B26-B27 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-B25 : outward 
+A7-B22 : outward 
+A9-B19 : outward 
+A12-A14 : upward 
+Number of stackings = 26
+Number of adjacent stackings = 22
+Number of non adjacent stackings = 4
+Base-pairs ------------------------------------------------------
+A1-B27 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-B26 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-B25 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-B24 : G-C Ww/Ww pairing antiparallel cis XIX 
+A6-B22 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-B19 : C-G Ww/Ww pairing antiparallel cis XIX 
+A9-B18 : A-U Ww/Ww pairing antiparallel cis XX 
+A10-B17 : C-G Ww/Ww pairing antiparallel cis XIX 
+A11-B16 : C-G Ww/Ww pairing antiparallel cis XIX 
+A12-B15 : U-G Bs/Ww pairing parallel trans 87 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : C C3p_endo anti
+A4 : G C3p_endo anti
+A5 : U C3p_endo anti
+A6 : C C3p_endo anti
+A7 : A C3p_endo anti
+A8 : C C3p_endo anti
+A9 : A C3p_endo anti
+A10 : C C3p_endo anti
+A11 : C C3p_endo anti
+A12 : U C3p_endo anti
+A13 : U C1p_exo anti
+A14 : C C2p_endo anti
+B15 : G C3p_endo syn
+B16 : G C3p_endo anti
+B17 : G C3p_endo anti
+B18 : U C3p_endo anti
+B19 : G C2p_exo anti
+B20 : A C3p_endo anti
+B21 : A C3p_endo anti
+B22 : G C3p_endo anti
+B23 : U C3p_endo anti
+B24 : C C3p_endo anti
+B25 : G C3p_endo anti
+B26 : C C1p_exo anti
+B27 : C O4p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+B15-B16 : adjacent_5p outward 
+B16-B17 : adjacent_5p upward 
+B17-B18 : adjacent_5p upward 
+B18-B19 : adjacent_5p upward 
+B20-B21 : adjacent_5p upward 
+B22-B23 : adjacent_5p upward 
+B23-B24 : adjacent_5p upward 
+B24-B25 : adjacent_5p upward 
+B25-B26 : adjacent_5p upward 
+B26-B27 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-B25 : outward 
+A7-B22 : outward 
+A9-B19 : outward 
+A12-A14 : upward 
+Number of stackings = 24
+Number of adjacent stackings = 20
+Number of non adjacent stackings = 4
+Base-pairs ------------------------------------------------------
+A1-B27 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-B26 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-B25 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-B24 : G-C Ww/Ww pairing antiparallel cis XIX 
+A6-B22 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-B19 : C-G Ww/Ww pairing antiparallel cis XIX 
+A9-B18 : A-U Ww/Ww pairing antiparallel cis XX 
+A10-B17 : C-G Ww/Ww pairing antiparallel cis XIX 
+A11-B16 : C-G Ww/Ww pairing antiparallel cis XIX 
+A12-B15 : U-G Bs/Ww pairing parallel trans 87 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : C C3p_endo anti
+A4 : G C3p_endo anti
+A5 : U C3p_endo anti
+A6 : C C3p_endo anti
+A7 : A C3p_endo anti
+A8 : C C3p_endo anti
+A9 : A C3p_endo anti
+A10 : C C3p_endo anti
+A11 : C C3p_endo anti
+A12 : U C3p_endo anti
+A13 : U C1p_exo anti
+A14 : C C2p_endo anti
+B15 : G C3p_endo syn
+B16 : G C3p_endo anti
+B17 : G C3p_endo anti
+B18 : U C3p_endo anti
+B19 : G C3p_endo anti
+B20 : A C3p_endo anti
+B21 : A C2p_exo anti
+B22 : G C2p_exo anti
+B23 : U C3p_endo anti
+B24 : C C3p_endo anti
+B25 : G C3p_endo anti
+B26 : C C1p_exo anti
+B27 : C O4p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+B15-B16 : adjacent_5p outward 
+B16-B17 : adjacent_5p upward 
+B17-B18 : adjacent_5p upward 
+B18-B19 : adjacent_5p upward 
+B20-B21 : adjacent_5p upward 
+B21-B22 : adjacent_5p upward 
+B22-B23 : adjacent_5p upward 
+B23-B24 : adjacent_5p upward 
+B24-B25 : adjacent_5p upward 
+B25-B26 : adjacent_5p upward 
+B26-B27 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-B25 : outward 
+A7-B22 : outward 
+A9-B19 : outward 
+A12-A14 : upward 
+Number of stackings = 25
+Number of adjacent stackings = 21
+Number of non adjacent stackings = 4
+Base-pairs ------------------------------------------------------
+A1-B27 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-B26 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-B25 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-B24 : G-C Ww/Ww pairing antiparallel cis XIX 
+A6-B22 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-B19 : C-G Ww/Ww pairing antiparallel cis XIX 
+A9-B18 : A-U Ww/Ww pairing antiparallel cis XX 
+A10-B17 : C-G Ww/Ww pairing antiparallel cis XIX 
+A11-B16 : C-G Ww/Ww pairing antiparallel cis XIX 
+A12-B15 : U-G Bs/Ww pairing parallel trans 87 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : C C3p_endo anti
+A4 : G C3p_endo anti
+A5 : U C3p_endo anti
+A6 : C C3p_endo anti
+A7 : A C3p_endo anti
+A8 : C C3p_endo anti
+A9 : A C3p_endo anti
+A10 : C C3p_endo anti
+A11 : C C3p_endo anti
+A12 : U C3p_endo anti
+A13 : U C1p_exo anti
+A14 : C C2p_endo anti
+B15 : G C3p_endo syn
+B16 : G C3p_endo anti
+B17 : G C3p_endo anti
+B18 : U C3p_endo anti
+B19 : G C2p_exo anti
+B20 : A C3p_endo anti
+B21 : A C2p_endo anti
+B22 : G C3p_endo anti
+B23 : U C3p_endo anti
+B24 : C C3p_endo anti
+B25 : G C3p_endo anti
+B26 : C C1p_exo anti
+B27 : C O4p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+B15-B16 : adjacent_5p outward 
+B16-B17 : adjacent_5p upward 
+B17-B18 : adjacent_5p upward 
+B18-B19 : adjacent_5p upward 
+B20-B21 : adjacent_5p upward 
+B21-B22 : adjacent_5p upward 
+B22-B23 : adjacent_5p upward 
+B23-B24 : adjacent_5p upward 
+B24-B25 : adjacent_5p upward 
+B25-B26 : adjacent_5p upward 
+B26-B27 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-B25 : outward 
+A7-B22 : outward 
+A9-B19 : outward 
+A12-A14 : upward 
+Number of stackings = 26
+Number of adjacent stackings = 22
+Number of non adjacent stackings = 4
+Base-pairs ------------------------------------------------------
+A1-B27 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-B26 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-B25 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-B24 : G-C Ww/Ww pairing antiparallel cis XIX 
+A6-B22 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-B19 : C-G Ww/Ww pairing antiparallel cis XIX 
+A9-B18 : A-U Ww/Ww pairing antiparallel cis XX 
+A10-B17 : C-G Ww/Ww pairing antiparallel cis XIX 
+A11-B16 : C-G Ww/Ww pairing antiparallel cis XIX 
+A12-B15 : U-G Bs/Ww pairing parallel trans 87 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : C C3p_endo anti
+A4 : G C3p_endo anti
+A5 : U C3p_endo anti
+A6 : C C3p_endo anti
+A7 : A C3p_endo anti
+A8 : C C3p_endo anti
+A9 : A C3p_endo anti
+A10 : C C3p_endo anti
+A11 : C C3p_endo anti
+A12 : U C3p_endo anti
+A13 : U C1p_exo anti
+A14 : C C2p_endo anti
+B15 : G C3p_endo syn
+B16 : G C3p_endo anti
+B17 : G C3p_endo anti
+B18 : U C3p_endo anti
+B19 : G C3p_endo anti
+B20 : A O4p_endo anti
+B21 : A C2p_endo anti
+B22 : G C3p_endo anti
+B23 : U C3p_endo anti
+B24 : C C3p_endo anti
+B25 : G C3p_endo anti
+B26 : C C1p_exo anti
+B27 : C O4p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+B15-B16 : adjacent_5p outward 
+B16-B17 : adjacent_5p upward 
+B17-B18 : adjacent_5p upward 
+B18-B19 : adjacent_5p upward 
+B20-B21 : adjacent_5p upward 
+B21-B22 : adjacent_5p upward 
+B22-B23 : adjacent_5p upward 
+B23-B24 : adjacent_5p upward 
+B24-B25 : adjacent_5p upward 
+B25-B26 : adjacent_5p upward 
+B26-B27 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-B25 : outward 
+A9-B19 : outward 
+A12-A14 : upward 
+Number of stackings = 25
+Number of adjacent stackings = 22
+Number of non adjacent stackings = 3
+Base-pairs ------------------------------------------------------
+A1-B27 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-B26 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-B25 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-B24 : G-C Ww/Ww pairing antiparallel cis XIX 
+A6-B22 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-B19 : C-G Ww/Ww pairing antiparallel cis XIX 
+A9-B18 : A-U Ww/Ww pairing antiparallel cis XX 
+A10-B17 : C-G Ww/Ww pairing antiparallel cis 
+A11-B16 : C-G Ww/Ww pairing antiparallel cis XIX 
+A12-B15 : U-G Bs/Ww pairing parallel trans 87 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : C C3p_endo anti
+A4 : G C3p_endo anti
+A5 : U C3p_endo anti
+A6 : C C3p_endo anti
+A7 : A C3p_endo anti
+A8 : C C3p_endo anti
+A9 : A C3p_endo anti
+A10 : C C3p_endo anti
+A11 : C C3p_endo anti
+A12 : U C3p_endo anti
+A13 : U C1p_exo anti
+A14 : C C2p_endo anti
+B15 : G C3p_endo syn
+B16 : G C2p_exo anti
+B17 : G C3p_endo anti
+B18 : U C3p_endo anti
+B19 : G C4p_exo anti
+B20 : A C3p_endo anti
+B21 : A C3p_endo anti
+B22 : G C3p_endo anti
+B23 : U C3p_endo anti
+B24 : C C3p_endo anti
+B25 : G C3p_endo anti
+B26 : C C1p_exo anti
+B27 : C O4p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+B15-B16 : adjacent_5p outward 
+B16-B17 : adjacent_5p upward 
+B17-B18 : adjacent_5p upward 
+B18-B19 : adjacent_5p upward 
+B20-B21 : adjacent_5p upward 
+B21-B22 : adjacent_5p upward 
+B22-B23 : adjacent_5p upward 
+B23-B24 : adjacent_5p upward 
+B24-B25 : adjacent_5p upward 
+B25-B26 : adjacent_5p upward 
+B26-B27 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-B25 : outward 
+A7-B22 : outward 
+A9-B19 : outward 
+A12-A14 : upward 
+Number of stackings = 25
+Number of adjacent stackings = 21
+Number of non adjacent stackings = 4
+Base-pairs ------------------------------------------------------
+A1-B27 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-B26 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-B25 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-B24 : G-C Ww/Ww pairing antiparallel cis XIX 
+A6-B22 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-B19 : C-G Ww/Ww pairing antiparallel cis XIX 
+A9-B18 : A-U Ww/Ww pairing antiparallel cis XX 
+A10-B17 : C-G Ww/Ww pairing antiparallel cis XIX 
+A11-B16 : C-G Ww/Ww pairing antiparallel cis XIX 
+A12-B15 : U-G Bs/Ww pairing parallel trans 87 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : C C3p_endo anti
+A4 : G C3p_endo anti
+A5 : U C3p_endo anti
+A6 : C C3p_endo anti
+A7 : A C3p_endo anti
+A8 : C C3p_endo anti
+A9 : A C3p_endo anti
+A10 : C C3p_endo anti
+A11 : C C3p_endo anti
+A12 : U C3p_endo anti
+A13 : U C1p_exo anti
+A14 : C C2p_endo anti
+B15 : G C3p_endo syn
+B16 : G C3p_endo anti
+B17 : G C3p_endo anti
+B18 : U C3p_endo anti
+B19 : G C4p_exo anti
+B20 : A C3p_endo anti
+B21 : A C3p_endo anti
+B22 : G C3p_endo anti
+B23 : U C3p_endo anti
+B24 : C C3p_endo anti
+B25 : G C3p_endo anti
+B26 : C C1p_exo anti
+B27 : C O4p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+B15-B16 : adjacent_5p outward 
+B16-B17 : adjacent_5p upward 
+B17-B18 : adjacent_5p upward 
+B18-B19 : adjacent_5p upward 
+B20-B21 : adjacent_5p upward 
+B21-B22 : adjacent_5p upward 
+B22-B23 : adjacent_5p upward 
+B23-B24 : adjacent_5p upward 
+B24-B25 : adjacent_5p upward 
+B25-B26 : adjacent_5p upward 
+B26-B27 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-B25 : outward 
+A7-B22 : outward 
+A9-B19 : outward 
+A12-A14 : upward 
+Number of stackings = 25
+Number of adjacent stackings = 21
+Number of non adjacent stackings = 4
+Base-pairs ------------------------------------------------------
+A1-B27 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-B26 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-B25 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-B24 : G-C Ww/Ww pairing antiparallel cis XIX 
+A6-B22 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-B19 : C-G Ww/Ww pairing antiparallel cis XIX 
+A9-B18 : A-U Ww/Ww pairing antiparallel cis XX 
+A10-B17 : C-G Ww/Ww pairing antiparallel cis XIX 
+A11-B16 : C-G Ww/Ww pairing antiparallel cis XIX 
+A12-B15 : U-G Bs/Ww pairing parallel trans 87 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : C C3p_endo anti
+A4 : G C3p_endo anti
+A5 : U C3p_endo anti
+A6 : C C3p_endo anti
+A7 : A C3p_endo anti
+A8 : C C3p_endo anti
+A9 : A C3p_endo anti
+A10 : C C3p_endo anti
+A11 : C C3p_endo anti
+A12 : U C3p_endo anti
+A13 : U C1p_exo anti
+A14 : C C2p_endo anti
+B15 : G C3p_endo syn
+B16 : G C3p_endo anti
+B17 : G C3p_endo anti
+B18 : U C3p_endo anti
+B19 : G C3p_endo anti
+B20 : A C3p_endo anti
+B21 : A C2p_exo anti
+B22 : G C2p_exo anti
+B23 : U C3p_endo anti
+B24 : C C3p_endo anti
+B25 : G C3p_endo anti
+B26 : C C1p_exo anti
+B27 : C O4p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+B15-B16 : adjacent_5p outward 
+B16-B17 : adjacent_5p upward 
+B17-B18 : adjacent_5p upward 
+B18-B19 : adjacent_5p upward 
+B20-B21 : adjacent_5p upward 
+B21-B22 : adjacent_5p upward 
+B22-B23 : adjacent_5p upward 
+B23-B24 : adjacent_5p upward 
+B24-B25 : adjacent_5p upward 
+B25-B26 : adjacent_5p upward 
+B26-B27 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-B25 : outward 
+A7-B22 : outward 
+A9-B19 : outward 
+A12-A14 : upward 
+Number of stackings = 26
+Number of adjacent stackings = 22
+Number of non adjacent stackings = 4
+Base-pairs ------------------------------------------------------
+A1-B27 : G-C Ww/Ww pairing antiparallel cis 
+A2-B26 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-B25 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-B24 : G-C Ww/Ww pairing antiparallel cis XIX 
+A6-B22 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-B19 : C-G Ww/Ww pairing antiparallel cis XIX 
+A9-B18 : A-U Ww/Ww pairing antiparallel cis XX 
+A10-B17 : C-G Ww/Ww pairing antiparallel cis XIX 
+A11-B16 : C-G Ww/Ww pairing antiparallel cis XIX 
+A12-B15 : U-G Bs/Ww pairing parallel trans 87 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : C C3p_endo anti
+A4 : G C3p_endo anti
+A5 : U C3p_endo anti
+A6 : C C3p_endo anti
+A7 : A C3p_endo anti
+A8 : C C3p_endo anti
+A9 : A C3p_endo anti
+A10 : C C3p_endo anti
+A11 : C C3p_endo anti
+A12 : U C3p_endo anti
+A13 : U C1p_exo anti
+A14 : C C2p_endo anti
+B15 : G C3p_endo syn
+B16 : G C3p_endo anti
+B17 : G C3p_endo anti
+B18 : U C3p_endo anti
+B19 : G C2p_exo anti
+B20 : A C3p_endo anti
+B21 : A C2p_endo anti
+B22 : G C3p_endo anti
+B23 : U C3p_endo anti
+B24 : C C3p_endo anti
+B25 : G C3p_endo anti
+B26 : C C1p_exo anti
+B27 : C O4p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+B15-B16 : adjacent_5p outward 
+B16-B17 : adjacent_5p upward 
+B17-B18 : adjacent_5p upward 
+B18-B19 : adjacent_5p upward 
+B20-B21 : adjacent_5p upward 
+B21-B22 : adjacent_5p upward 
+B22-B23 : adjacent_5p upward 
+B23-B24 : adjacent_5p upward 
+B24-B25 : adjacent_5p upward 
+B25-B26 : adjacent_5p upward 
+B26-B27 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-B25 : outward 
+A7-B22 : outward 
+A9-B19 : outward 
+A12-A14 : upward 
+Number of stackings = 26
+Number of adjacent stackings = 22
+Number of non adjacent stackings = 4
+Base-pairs ------------------------------------------------------
+A1-B27 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-B26 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-B25 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-B24 : G-C Ww/Ww pairing antiparallel cis XIX 
+A6-B22 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-B19 : C-G Ww/Ww pairing antiparallel cis XIX 
+A9-B18 : A-U Ww/Ww pairing antiparallel cis XX 
+A10-B17 : C-G Ww/Ww pairing antiparallel cis XIX 
+A11-B16 : C-G Ww/Ww pairing antiparallel cis XIX 
+A12-B15 : U-G Bs/Ww pairing parallel trans 87 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : C C3p_endo anti
+A4 : G C3p_endo anti
+A5 : U C3p_endo anti
+A6 : C C3p_endo anti
+A7 : A C3p_endo anti
+A8 : C C3p_endo anti
+A9 : A C3p_endo anti
+A10 : C C3p_endo anti
+A11 : C C3p_endo anti
+A12 : U C3p_endo anti
+A13 : U C1p_exo anti
+A14 : C C2p_endo anti
+B15 : G C3p_endo syn
+B16 : G C3p_endo anti
+B17 : G C3p_endo anti
+B18 : U C3p_endo anti
+B19 : G C2p_exo anti
+B20 : A C3p_endo anti
+B21 : A C2p_exo anti
+B22 : G C3p_endo anti
+B23 : U C3p_endo anti
+B24 : C C3p_endo anti
+B25 : G C3p_endo anti
+B26 : C C1p_exo anti
+B27 : C O4p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+B15-B16 : adjacent_5p outward 
+B16-B17 : adjacent_5p upward 
+B17-B18 : adjacent_5p upward 
+B18-B19 : adjacent_5p upward 
+B20-B21 : adjacent_5p upward 
+B21-B22 : adjacent_5p upward 
+B22-B23 : adjacent_5p upward 
+B23-B24 : adjacent_5p upward 
+B24-B25 : adjacent_5p upward 
+B25-B26 : adjacent_5p upward 
+B26-B27 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-B25 : outward 
+A7-B22 : outward 
+A9-B19 : outward 
+A12-A14 : upward 
+Number of stackings = 26
+Number of adjacent stackings = 22
+Number of non adjacent stackings = 4
+Base-pairs ------------------------------------------------------
+A1-B27 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-B26 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-B25 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-B24 : G-C Ww/Ww pairing antiparallel cis 
+A6-B22 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-B19 : C-G Ww/Ww pairing antiparallel cis XIX 
+A9-B18 : A-U Ww/Ww pairing antiparallel cis XX 
+A10-B17 : C-G Ww/Ww pairing antiparallel cis XIX 
+A11-B16 : C-G Ww/Ww pairing antiparallel cis XIX 
+A12-B15 : U-G Bs/Ww pairing parallel trans 87 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : C C3p_endo anti
+A4 : G C3p_endo anti
+A5 : U C3p_endo anti
+A6 : C C3p_endo anti
+A7 : A C3p_endo anti
+A8 : C C3p_endo anti
+A9 : A C3p_endo anti
+A10 : C C3p_endo anti
+A11 : C C3p_endo anti
+A12 : U C3p_endo anti
+A13 : U C1p_exo anti
+A14 : C C2p_endo anti
+B15 : G C3p_endo syn
+B16 : G C3p_endo anti
+B17 : G C3p_endo anti
+B18 : U C3p_endo anti
+B19 : G C2p_exo anti
+B20 : A C3p_endo anti
+B21 : A C2p_endo anti
+B22 : G C3p_endo anti
+B23 : U C3p_endo anti
+B24 : C C3p_endo anti
+B25 : G C3p_endo anti
+B26 : C C1p_exo anti
+B27 : C O4p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+B15-B16 : adjacent_5p outward 
+B16-B17 : adjacent_5p upward 
+B17-B18 : adjacent_5p upward 
+B18-B19 : adjacent_5p upward 
+B20-B21 : adjacent_5p upward 
+B21-B22 : adjacent_5p upward 
+B22-B23 : adjacent_5p upward 
+B23-B24 : adjacent_5p upward 
+B24-B25 : adjacent_5p upward 
+B25-B26 : adjacent_5p upward 
+B26-B27 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-B25 : outward 
+A7-B22 : outward 
+A9-B19 : outward 
+A12-A14 : upward 
+Number of stackings = 26
+Number of adjacent stackings = 22
+Number of non adjacent stackings = 4
+Base-pairs ------------------------------------------------------
+A1-B27 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-B26 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-B25 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-B24 : G-C Ww/Ww pairing antiparallel cis XIX 
+A6-B22 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-B19 : C-G Ww/Ww pairing antiparallel cis XIX 
+A9-B18 : A-U Ww/Ww pairing antiparallel cis XX 
+A10-B17 : C-G Ww/Ww pairing antiparallel cis XIX 
+A11-B16 : C-G Ww/Ww pairing antiparallel cis XIX 
+A12-B15 : U-G Bs/Ww pairing parallel trans 87 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : C C3p_endo anti
+A4 : G C3p_endo anti
+A5 : U C3p_endo anti
+A6 : C C3p_endo anti
+A7 : A C3p_endo anti
+A8 : C C3p_endo anti
+A9 : A C3p_endo anti
+A10 : C C3p_endo anti
+A11 : C C3p_endo anti
+A12 : U C3p_endo anti
+A13 : U C1p_exo anti
+A14 : C C2p_endo anti
+B15 : G C3p_endo syn
+B16 : G C3p_endo anti
+B17 : G C3p_endo anti
+B18 : U C3p_endo anti
+B19 : G C2p_exo anti
+B20 : A C3p_endo anti
+B21 : A C2p_exo anti
+B22 : G C3p_endo anti
+B23 : U C3p_endo anti
+B24 : C C3p_endo anti
+B25 : G C3p_endo anti
+B26 : C C1p_exo anti
+B27 : C O4p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+B15-B16 : adjacent_5p outward 
+B16-B17 : adjacent_5p upward 
+B17-B18 : adjacent_5p upward 
+B18-B19 : adjacent_5p upward 
+B20-B21 : adjacent_5p upward 
+B21-B22 : adjacent_5p upward 
+B22-B23 : adjacent_5p upward 
+B23-B24 : adjacent_5p upward 
+B24-B25 : adjacent_5p upward 
+B25-B26 : adjacent_5p upward 
+B26-B27 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-B25 : outward 
+A7-B22 : outward 
+A9-B19 : outward 
+A12-A14 : upward 
+Number of stackings = 25
+Number of adjacent stackings = 21
+Number of non adjacent stackings = 4
+Base-pairs ------------------------------------------------------
+A1-B27 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-B26 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-B25 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-B24 : G-C Ww/Ww pairing antiparallel cis XIX 
+A6-B22 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-B19 : C-G Ww/Ww pairing antiparallel cis XIX 
+A9-B18 : A-U Ww/Ww pairing antiparallel cis XX 
+A10-B17 : C-G Ww/Ww pairing antiparallel cis XIX 
+A11-B16 : C-G Ww/Ww pairing antiparallel cis XIX 
+A12-B15 : U-G Bs/Ww pairing parallel trans 87 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : C C3p_endo anti
+A4 : G C3p_endo anti
+A5 : U C3p_endo anti
+A6 : C C3p_endo anti
+A7 : A C3p_endo anti
+A8 : C C3p_endo anti
+A9 : A C3p_endo anti
+A10 : C C3p_endo anti
+A11 : C C3p_endo anti
+A12 : U C3p_endo anti
+A13 : U C1p_exo anti
+A14 : C C2p_endo anti
+B15 : G C3p_endo syn
+B16 : G C3p_endo anti
+B17 : G C3p_endo anti
+B18 : U C3p_endo anti
+B19 : G C3p_endo anti
+B20 : A C4p_exo anti
+B21 : A C4p_exo anti
+B22 : G C2p_exo anti
+B23 : U C3p_endo anti
+B24 : C C3p_endo anti
+B25 : G C3p_endo anti
+B26 : C C1p_exo anti
+B27 : C O4p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+B15-B16 : adjacent_5p outward 
+B16-B17 : adjacent_5p upward 
+B17-B18 : adjacent_5p upward 
+B18-B19 : adjacent_5p upward 
+B22-B23 : adjacent_5p upward 
+B23-B24 : adjacent_5p upward 
+B24-B25 : adjacent_5p upward 
+B25-B26 : adjacent_5p upward 
+B26-B27 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-B25 : outward 
+A7-B22 : outward 
+A9-B19 : outward 
+A12-A14 : upward 
+Number of stackings = 24
+Number of adjacent stackings = 20
+Number of non adjacent stackings = 4
+Base-pairs ------------------------------------------------------
+A1-B27 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-B26 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-B25 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-B24 : G-C Ww/Ww pairing antiparallel cis XIX 
+A6-B22 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-B19 : C-G Ww/Ww pairing antiparallel cis XIX 
+A9-B18 : A-U Ww/Ww pairing antiparallel cis XX 
+A10-B17 : C-G Ww/Ww pairing antiparallel cis XIX 
+A11-B16 : C-G Ww/Ww pairing antiparallel cis XIX 
+A12-B15 : U-G Bs/Ww pairing parallel trans 87 
diff --git a/MCdata/1a4d_MC b/MCdata/1a4d_MC
new file mode 100644
index 0000000000000000000000000000000000000000..c5ce1d35abf3e16b5636af86840dcaa592df122e
--- /dev/null
+++ b/MCdata/1a4d_MC
@@ -0,0 +1,101 @@
+Residue conformations -------------------------------------------
+A68 : G C3p_endo anti
+A69 : G C3p_endo anti
+A70 : C C3p_endo anti
+A71 : C C3p_endo anti
+A72 : G C3p_endo anti
+A73 : A C2p_exo anti
+A74 : U C3p_endo anti
+A75 : G C3p_endo anti
+A76 : G C3p_endo anti
+A77 : U C3p_endo anti
+A78 : A C3p_endo anti
+A79 : G C3p_endo anti
+A80 : U C3p_endo anti
+A81 : G C3p_endo anti
+A82 : U C3p_endo anti
+A83 : G C3p_endo anti
+A84 : G C3p_endo anti
+A85 : G C3p_endo anti
+A86 : G C3p_endo anti
+A87 : U C4p_exo anti
+A88 : C C2p_endo anti
+B89 : U C3p_endo anti
+B90 : C C2p_exo anti
+B91 : C C3p_endo anti
+B92 : C C3p_endo anti
+B93 : C C3p_endo anti
+B94 : A C3p_endo anti
+B95 : U C3p_endo anti
+B96 : G C3p_endo anti
+B97 : C C3p_endo anti
+B98 : G C3p_endo anti
+B99 : A C2p_exo anti
+B100 : G C3p_endo anti
+B101 : A C2p_exo anti
+B102 : G C3p_endo anti
+B103 : U C3p_endo anti
+B104 : A C3p_endo anti
+B105 : G C3p_endo anti
+B106 : G C3p_endo anti
+B107 : C C3p_endo anti
+B108 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A68-A69 : adjacent_5p upward 
+A69-A70 : adjacent_5p upward 
+A71-A72 : adjacent_5p upward 
+A73-A74 : adjacent_5p upward 
+A74-A75 : adjacent_5p upward 
+A75-A76 : adjacent_5p upward 
+A76-A77 : adjacent_5p upward 
+A77-A78 : adjacent_5p upward 
+A78-A79 : adjacent_5p upward 
+A79-A80 : adjacent_5p upward 
+A81-A82 : adjacent_5p upward 
+A82-A83 : adjacent_5p upward 
+A83-A84 : adjacent_5p upward 
+A84-A85 : adjacent_5p upward 
+A85-A86 : adjacent_5p upward 
+B93-B94 : adjacent_5p upward 
+B94-B95 : adjacent_5p upward 
+B96-B97 : adjacent_5p upward 
+B97-B98 : adjacent_5p upward 
+B99-B100 : adjacent_5p upward 
+B100-B101 : adjacent_5p upward 
+B101-B102 : adjacent_5p upward 
+B102-B103 : adjacent_5p upward 
+B103-B104 : adjacent_5p upward 
+B104-B105 : adjacent_5p upward 
+B105-B106 : adjacent_5p upward 
+B106-B107 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A73-B104 : outward 
+A78-B99 : outward 
+A81-B96 : outward 
+A83-B94 : outward 
+Number of stackings = 31
+Number of adjacent stackings = 27
+Number of non adjacent stackings = 4
+Base-pairs ------------------------------------------------------
+A68-B108 : G-C Ww/Ww pairing antiparallel cis XIX 
+A69-B107 : G-C Ww/Ww pairing antiparallel cis XIX 
+A70-B106 : C-G Ww/Ww pairing antiparallel cis XIX 
+A71-B105 : C-G Ww/Ww pairing antiparallel cis XIX 
+A72-B102 : G-G Hh/O2P pairing 
+A72-B103 : G-U Ww/O2P Bs/O2P pairing 
+A72-B104 : G-A Ss/Hh pairing antiparallel trans XI 
+A73-B103 : A-U Hh/Ws pairing antiparallel trans XXIV 
+A74-B102 : U-G Hh/Ww pairing antiparallel trans one_hbond 91 
+A75-B101 : G-A Hw/Wh pairing antiparallel cis one_hbond 64 
+A76-B100 : G-G Ww/Bh pairing antiparallel trans 115 
+A77-B99 : U-A Ws/Hh pairing antiparallel trans XXIV 
+A78-B98 : A-G Hh/Ss Bh/O2' pairing antiparallel trans XI 
+A79-B97 : G-C Ww/Ww pairing antiparallel cis XIX 
+A80-B96 : U-G Ws/Ww pairing antiparallel cis XXVIII 
+A81-B95 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+A82-B94 : U-A Ww/Ww pairing antiparallel cis XX 
+A83-B93 : G-C Ww/Ww pairing antiparallel cis XIX 
+A84-B92 : G-C Ww/Ww pairing antiparallel cis XIX 
+A85-B91 : G-C Ww/Ww pairing antiparallel cis XIX 
+A86-B90 : G-C Bs/Ww pairing antiparallel cis 128 
+B89-B90 : U-C O2P/Ww O2P/Bh adjacent_5p pairing 
diff --git a/MCdata/1a4t_MC b/MCdata/1a4t_MC
new file mode 100644
index 0000000000000000000000000000000000000000..878eae5e404eeb242fb10e4dca1fc01af744b404
--- /dev/null
+++ b/MCdata/1a4t_MC
@@ -0,0 +1,1186 @@
+Residue conformations -------------------------------------------
+A4 : G C4p_exo anti
+A5 : C C2p_exo anti
+A6 : G C2p_exo anti
+A7 : C C3p_endo anti
+A8 : U C2p_exo anti
+A9 : G C3p_endo anti
+A10 : A C2p_endo anti
+A11 : C C1p_exo anti
+A12 : A C3p_endo anti
+A13 : A C3p_endo anti
+A14 : A C2p_exo anti
+A15 : G C2p_exo anti
+A16 : C C3p_endo anti
+A17 : G C2p_exo anti
+A18 : C C3p_endo anti
+B1 : ASN
+B2 : ALA
+B3 : LYS
+B4 : THR
+B5 : ARG
+B6 : ARG
+B7 : HIS
+B8 : GLU
+B9 : ARG
+B10 : ARG
+B11 : ARG
+B12 : LYS
+B13 : LEU
+B14 : ALA
+B15 : ILE
+B16 : GLU
+B17 : ARG
+B18 : ASP
+B19 : THR
+Adjacent stackings ----------------------------------------------
+A4-A5 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A6-A17 : outward 
+A10-A12 : upward 
+Number of stackings = 10
+Number of adjacent stackings = 8
+Number of non adjacent stackings = 2
+Base-pairs ------------------------------------------------------
+A4-A18 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-A17 : C-G Ww/Ww pairing antiparallel cis XIX 
+A6-A16 : G-C Ww/Ww pairing antiparallel cis XIX 
+A7-A15 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-A14 : U-A Ww/Ww pairing antiparallel cis XX 
+A9-A12 : G-A O2'/Hh Ww/O2P pairing 
+A9-A13 : G-A Bs/Hh Bs/O2P pairing antiparallel trans one_hbond 
+A9-B6 : G-ARG pairing one_hbond 
+A15-B3 : G-LYS pairing one_hbond 
+Residue conformations -------------------------------------------
+A4 : G C3p_endo anti
+A5 : C C3p_endo anti
+A6 : G C2p_exo anti
+A7 : C C3p_endo anti
+A8 : U C2p_exo anti
+A9 : G C3p_endo anti
+A10 : A C1p_exo anti
+A11 : C C1p_exo anti
+A12 : A C3p_endo anti
+A13 : A C3p_endo anti
+A14 : A C2p_exo anti
+A15 : G C2p_exo anti
+A16 : C C3p_endo anti
+A17 : G C3p_endo anti
+A18 : C C3p_endo anti
+B1 : ASN
+B2 : ALA
+B3 : LYS
+B4 : THR
+B5 : ARG
+B6 : ARG
+B7 : HIS
+B8 : GLU
+B9 : ARG
+B10 : ARG
+B11 : ARG
+B12 : LYS
+B13 : LEU
+B14 : ALA
+B15 : ILE
+B16 : GLU
+B17 : ARG
+B18 : ASP
+B19 : THR
+Adjacent stackings ----------------------------------------------
+A4-A5 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A6-A17 : outward 
+A10-A12 : upward 
+Number of stackings = 10
+Number of adjacent stackings = 8
+Number of non adjacent stackings = 2
+Base-pairs ------------------------------------------------------
+A4-A18 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-A17 : C-G Ww/Ww pairing antiparallel cis XIX 
+A6-A16 : G-C Ww/Ww pairing antiparallel cis XIX 
+A7-A15 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-A14 : U-A Ww/Ww pairing antiparallel cis XX 
+A9-A12 : G-A O2'/Hh pairing 
+A9-A13 : G-A Bs/O2P pairing 
+A9-B6 : G-ARG pairing one_hbond 
+A14-B3 : A-LYS pairing one_hbond 
+Residue conformations -------------------------------------------
+A4 : G C4p_exo anti
+A5 : C C3p_endo anti
+A6 : G C2p_exo anti
+A7 : C C3p_endo anti
+A8 : U C2p_exo anti
+A9 : G C3p_endo anti
+A10 : A O4p_endo anti
+A11 : C C1p_exo anti
+A12 : A C3p_endo anti
+A13 : A C3p_endo anti
+A14 : A C2p_exo anti
+A15 : G C2p_exo anti
+A16 : C C3p_endo anti
+A17 : G C3p_endo anti
+A18 : C C3p_endo anti
+B1 : ASN
+B2 : ALA
+B3 : LYS
+B4 : THR
+B5 : ARG
+B6 : ARG
+B7 : HIS
+B8 : GLU
+B9 : ARG
+B10 : ARG
+B11 : ARG
+B12 : LYS
+B13 : LEU
+B14 : ALA
+B15 : ILE
+B16 : GLU
+B17 : ARG
+B18 : ASP
+B19 : THR
+Adjacent stackings ----------------------------------------------
+A4-A5 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A6-A17 : outward 
+A10-A12 : upward 
+Number of stackings = 10
+Number of adjacent stackings = 8
+Number of non adjacent stackings = 2
+Base-pairs ------------------------------------------------------
+A4-A18 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-A17 : C-G Ww/Ww pairing antiparallel cis XIX 
+A6-A16 : G-C Ww/Ww pairing antiparallel cis XIX 
+A7-A15 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-A14 : U-A Ww/Ww pairing antiparallel cis XX 
+A9-A12 : G-A O2'/Hh pairing 
+A9-A13 : G-A Bs/O2P pairing 
+A9-B6 : G-ARG pairing one_hbond 
+A14-B3 : A-LYS pairing one_hbond 
+Residue conformations -------------------------------------------
+A4 : G C4p_exo anti
+A5 : C C3p_endo anti
+A6 : G C2p_exo anti
+A7 : C C3p_endo anti
+A8 : U C2p_exo anti
+A9 : G C3p_endo anti
+A10 : A C1p_exo anti
+A11 : C C1p_exo anti
+A12 : A C3p_endo anti
+A13 : A C3p_endo anti
+A14 : A C2p_exo anti
+A15 : G C2p_exo anti
+A16 : C C3p_endo anti
+A17 : G C3p_endo anti
+A18 : C C3p_endo anti
+B1 : ASN
+B2 : ALA
+B3 : LYS
+B4 : THR
+B5 : ARG
+B6 : ARG
+B7 : HIS
+B8 : GLU
+B9 : ARG
+B10 : ARG
+B11 : ARG
+B12 : LYS
+B13 : LEU
+B14 : ALA
+B15 : ILE
+B16 : GLU
+B17 : ARG
+B18 : ASP
+B19 : THR
+Adjacent stackings ----------------------------------------------
+A4-A5 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A6-A17 : outward 
+A10-A12 : upward 
+Number of stackings = 10
+Number of adjacent stackings = 8
+Number of non adjacent stackings = 2
+Base-pairs ------------------------------------------------------
+A4-A18 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-A17 : C-G Ww/Ww pairing antiparallel cis XIX 
+A6-A16 : G-C Ww/Ww pairing antiparallel cis XIX 
+A7-A15 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-A14 : U-A Ww/Ww pairing antiparallel cis XX 
+A9-A12 : G-A O2'/Hh Ww/O2P pairing 
+A9-A13 : G-A Bs/Hh Ws/O2P pairing antiparallel trans one_hbond 
+A9-B6 : G-ARG pairing one_hbond 
+A15-B3 : G-LYS pairing 
+Residue conformations -------------------------------------------
+A4 : G C3p_endo anti
+A5 : C C2p_exo anti
+A6 : G C2p_exo anti
+A7 : C C3p_endo anti
+A8 : U C2p_exo anti
+A9 : G C3p_endo anti
+A10 : A C3p_exo anti
+A11 : C C2p_endo anti
+A12 : A C3p_endo anti
+A13 : A C3p_endo anti
+A14 : A C2p_exo anti
+A15 : G C2p_exo anti
+A16 : C C3p_endo anti
+A17 : G C2p_exo anti
+A18 : C C3p_endo anti
+B1 : ASN
+B2 : ALA
+B3 : LYS
+B4 : THR
+B5 : ARG
+B6 : ARG
+B7 : HIS
+B8 : GLU
+B9 : ARG
+B10 : ARG
+B11 : ARG
+B12 : LYS
+B13 : LEU
+B14 : ALA
+B15 : ILE
+B16 : GLU
+B17 : ARG
+B18 : ASP
+B19 : THR
+Adjacent stackings ----------------------------------------------
+A4-A5 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A6-A17 : outward 
+A10-A12 : upward 
+Number of stackings = 9
+Number of adjacent stackings = 7
+Number of non adjacent stackings = 2
+Base-pairs ------------------------------------------------------
+A4-A18 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-A17 : C-G Ww/Ww pairing antiparallel cis XIX 
+A6-A16 : G-C Ww/Ww pairing antiparallel cis XIX 
+A7-A15 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-A14 : U-A Ww/Ww pairing antiparallel cis XX 
+A9-A12 : G-A O2'/Hh Bs/O2P pairing 
+A9-A13 : G-A Bs/O2P pairing 
+A9-B6 : G-ARG pairing one_hbond 
+A15-B3 : G-LYS pairing one_hbond 
+Residue conformations -------------------------------------------
+A4 : G C4p_exo anti
+A5 : C C3p_endo anti
+A6 : G C2p_exo anti
+A7 : C C3p_endo anti
+A8 : U C3p_endo anti
+A9 : G C3p_endo anti
+A10 : A O4p_endo anti
+A11 : C C1p_exo anti
+A12 : A C3p_endo anti
+A13 : A C2p_exo anti
+A14 : A C2p_exo anti
+A15 : G C2p_exo anti
+A16 : C C2p_exo anti
+A17 : G C3p_endo anti
+A18 : C C3p_endo anti
+B1 : ASN
+B2 : ALA
+B3 : LYS
+B4 : THR
+B5 : ARG
+B6 : ARG
+B7 : HIS
+B8 : GLU
+B9 : ARG
+B10 : ARG
+B11 : ARG
+B12 : LYS
+B13 : LEU
+B14 : ALA
+B15 : ILE
+B16 : GLU
+B17 : ARG
+B18 : ASP
+B19 : THR
+Adjacent stackings ----------------------------------------------
+A4-A5 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A6-A17 : outward 
+A10-A12 : upward 
+Number of stackings = 10
+Number of adjacent stackings = 8
+Number of non adjacent stackings = 2
+Base-pairs ------------------------------------------------------
+A4-A18 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-A17 : C-G Ww/Ww pairing antiparallel cis XIX 
+A6-A16 : G-C Ww/Ww pairing antiparallel cis XIX 
+A7-A15 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-A14 : U-A Ww/Ww pairing antiparallel cis XX 
+A9-A12 : G-A O2'/Hh pairing 
+A9-A13 : G-A Bs/O2P pairing 
+A9-B6 : G-ARG pairing one_hbond 
+A14-B3 : A-LYS pairing one_hbond 
+Residue conformations -------------------------------------------
+A4 : G C4p_exo anti
+A5 : C C3p_endo anti
+A6 : G C2p_exo anti
+A7 : C C3p_endo anti
+A8 : U C3p_endo anti
+A9 : G C3p_endo anti
+A10 : A C1p_exo anti
+A11 : C C1p_exo anti
+A12 : A C3p_endo anti
+A13 : A C3p_endo anti
+A14 : A C2p_exo anti
+A15 : G C2p_exo anti
+A16 : C C2p_exo anti
+A17 : G C3p_endo anti
+A18 : C C3p_endo anti
+B1 : ASN
+B2 : ALA
+B3 : LYS
+B4 : THR
+B5 : ARG
+B6 : ARG
+B7 : HIS
+B8 : GLU
+B9 : ARG
+B10 : ARG
+B11 : ARG
+B12 : LYS
+B13 : LEU
+B14 : ALA
+B15 : ILE
+B16 : GLU
+B17 : ARG
+B18 : ASP
+B19 : THR
+Adjacent stackings ----------------------------------------------
+A4-A5 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A6-A17 : outward 
+A10-A12 : upward 
+Number of stackings = 10
+Number of adjacent stackings = 8
+Number of non adjacent stackings = 2
+Base-pairs ------------------------------------------------------
+A4-A18 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-A17 : C-G Ww/Ww pairing antiparallel cis XIX 
+A6-A16 : G-C Ww/Ww pairing antiparallel cis XIX 
+A7-A15 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-A14 : U-A Ww/Ww pairing antiparallel cis XX 
+A9-A13 : G-A Bs/Hh pairing antiparallel trans one_hbond 
+A9-B6 : G-ARG pairing one_hbond 
+Residue conformations -------------------------------------------
+A4 : G C4p_exo anti
+A5 : C C3p_endo anti
+A6 : G C2p_exo anti
+A7 : C C3p_endo anti
+A8 : U C3p_endo anti
+A9 : G C3p_endo anti
+A10 : A C1p_exo anti
+A11 : C C1p_exo anti
+A12 : A C2p_exo anti
+A13 : A C3p_endo anti
+A14 : A C2p_exo anti
+A15 : G C2p_exo anti
+A16 : C C3p_endo anti
+A17 : G C3p_endo anti
+A18 : C C3p_endo anti
+B1 : ASN
+B2 : ALA
+B3 : LYS
+B4 : THR
+B5 : ARG
+B6 : ARG
+B7 : HIS
+B8 : GLU
+B9 : ARG
+B10 : ARG
+B11 : ARG
+B12 : LYS
+B13 : LEU
+B14 : ALA
+B15 : ILE
+B16 : GLU
+B17 : ARG
+B18 : ASP
+B19 : THR
+Adjacent stackings ----------------------------------------------
+A4-A5 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A6-A17 : outward 
+A10-A12 : upward 
+Number of stackings = 10
+Number of adjacent stackings = 8
+Number of non adjacent stackings = 2
+Base-pairs ------------------------------------------------------
+A4-A18 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-A17 : C-G Ww/Ww pairing antiparallel cis XIX 
+A6-A16 : G-C Ww/Ww pairing antiparallel cis XIX 
+A7-A15 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-A14 : U-A Ww/Ww pairing antiparallel cis XX 
+A9-A12 : G-A O2'/Hh pairing 
+A9-A13 : G-A Bs/Hh Ws/O2P pairing antiparallel trans one_hbond 
+Residue conformations -------------------------------------------
+A4 : G C4p_exo anti
+A5 : C C3p_endo anti
+A6 : G C2p_exo anti
+A7 : C C3p_endo anti
+A8 : U C2p_exo anti
+A9 : G C3p_endo anti
+A10 : A C1p_exo anti
+A11 : C C1p_exo anti
+A12 : A C3p_endo anti
+A13 : A C3p_endo anti
+A14 : A C2p_exo anti
+A15 : G C2p_exo anti
+A16 : C C2p_exo anti
+A17 : G C3p_endo anti
+A18 : C C3p_endo anti
+B1 : ASN
+B2 : ALA
+B3 : LYS
+B4 : THR
+B5 : ARG
+B6 : ARG
+B7 : HIS
+B8 : GLU
+B9 : ARG
+B10 : ARG
+B11 : ARG
+B12 : LYS
+B13 : LEU
+B14 : ALA
+B15 : ILE
+B16 : GLU
+B17 : ARG
+B18 : ASP
+B19 : THR
+Adjacent stackings ----------------------------------------------
+A4-A5 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A6-A17 : outward 
+A10-A12 : upward 
+Number of stackings = 10
+Number of adjacent stackings = 8
+Number of non adjacent stackings = 2
+Base-pairs ------------------------------------------------------
+A4-A18 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-A17 : C-G Ww/Ww pairing antiparallel cis XIX 
+A6-A16 : G-C Ww/Ww pairing antiparallel cis XIX 
+A7-A15 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-A14 : U-A Ww/Ww pairing antiparallel cis XX 
+A9-A12 : G-A Ww/O2P pairing 
+A9-A13 : G-A Ws/O2P pairing 
+A9-B6 : G-ARG pairing one_hbond 
+Residue conformations -------------------------------------------
+A4 : G C4p_exo anti
+A5 : C C3p_endo anti
+A6 : G C2p_exo anti
+A7 : C C3p_endo anti
+A8 : U C3p_endo anti
+A9 : G C3p_endo anti
+A10 : A C2p_endo anti
+A11 : C C1p_exo anti
+A12 : A C3p_endo anti
+A13 : A C3p_endo anti
+A14 : A C2p_exo anti
+A15 : G C2p_exo anti
+A16 : C C3p_endo anti
+A17 : G C2p_exo anti
+A18 : C C3p_endo anti
+B1 : ASN
+B2 : ALA
+B3 : LYS
+B4 : THR
+B5 : ARG
+B6 : ARG
+B7 : HIS
+B8 : GLU
+B9 : ARG
+B10 : ARG
+B11 : ARG
+B12 : LYS
+B13 : LEU
+B14 : ALA
+B15 : ILE
+B16 : GLU
+B17 : ARG
+B18 : ASP
+B19 : THR
+Adjacent stackings ----------------------------------------------
+A4-A5 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A6-A17 : outward 
+A10-A12 : upward 
+Number of stackings = 10
+Number of adjacent stackings = 8
+Number of non adjacent stackings = 2
+Base-pairs ------------------------------------------------------
+A4-A18 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-A17 : C-G Ww/Ww pairing antiparallel cis XIX 
+A6-A16 : G-C Ww/Ww pairing antiparallel cis XIX 
+A7-A15 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-A14 : U-A Ww/Ww pairing antiparallel cis XX 
+A9-A12 : G-A O2'/Hh pairing 
+A9-A13 : G-A Ws/O2P pairing 
+A9-B6 : G-ARG pairing one_hbond 
+Residue conformations -------------------------------------------
+A4 : G C4p_exo anti
+A5 : C C2p_exo anti
+A6 : G C2p_exo anti
+A7 : C C3p_endo anti
+A8 : U C3p_endo anti
+A9 : G C3p_endo anti
+A10 : A C2p_endo anti
+A11 : C C1p_exo anti
+A12 : A C3p_endo anti
+A13 : A C3p_endo anti
+A14 : A C2p_exo anti
+A15 : G C2p_exo anti
+A16 : C C2p_exo anti
+A17 : G C3p_endo anti
+A18 : C C3p_endo anti
+B1 : ASN
+B2 : ALA
+B3 : LYS
+B4 : THR
+B5 : ARG
+B6 : ARG
+B7 : HIS
+B8 : GLU
+B9 : ARG
+B10 : ARG
+B11 : ARG
+B12 : LYS
+B13 : LEU
+B14 : ALA
+B15 : ILE
+B16 : GLU
+B17 : ARG
+B18 : ASP
+B19 : THR
+Adjacent stackings ----------------------------------------------
+A4-A5 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A6-A17 : outward 
+A10-A12 : upward 
+Number of stackings = 10
+Number of adjacent stackings = 8
+Number of non adjacent stackings = 2
+Base-pairs ------------------------------------------------------
+A4-A18 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-A17 : C-G Ww/Ww pairing antiparallel cis XIX 
+A6-A16 : G-C Ww/Ww pairing antiparallel cis XIX 
+A7-A15 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-A14 : U-A Ww/Ww pairing antiparallel cis XX 
+A9-A12 : G-A O2'/Hh Ww/O2P pairing 
+A9-A13 : G-A Bs/O2P pairing 
+A9-B6 : G-ARG pairing one_hbond 
+Residue conformations -------------------------------------------
+A4 : G C4p_exo anti
+A5 : C C3p_endo anti
+A6 : G C2p_exo anti
+A7 : C C3p_endo anti
+A8 : U C3p_endo anti
+A9 : G C3p_endo anti
+A10 : A O4p_endo anti
+A11 : C C1p_exo anti
+A12 : A C3p_endo anti
+A13 : A C3p_endo anti
+A14 : A C2p_exo anti
+A15 : G C2p_exo anti
+A16 : C C3p_endo anti
+A17 : G C3p_endo anti
+A18 : C C3p_endo anti
+B1 : ASN
+B2 : ALA
+B3 : LYS
+B4 : THR
+B5 : ARG
+B6 : ARG
+B7 : HIS
+B8 : GLU
+B9 : ARG
+B10 : ARG
+B11 : ARG
+B12 : LYS
+B13 : LEU
+B14 : ALA
+B15 : ILE
+B16 : GLU
+B17 : ARG
+B18 : ASP
+B19 : THR
+Adjacent stackings ----------------------------------------------
+A4-A5 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A6-A17 : outward 
+A10-A12 : upward 
+Number of stackings = 10
+Number of adjacent stackings = 8
+Number of non adjacent stackings = 2
+Base-pairs ------------------------------------------------------
+A4-A18 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-A17 : C-G Ww/Ww pairing antiparallel cis XIX 
+A6-A16 : G-C Ww/Ww pairing antiparallel cis XIX 
+A7-A15 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-A14 : U-A Ww/Ww pairing antiparallel cis XX 
+A9-A12 : G-A Ww/O2P pairing 
+A9-A13 : G-A Ws/O2P pairing 
+A9-B6 : G-ARG pairing one_hbond 
+A14-B3 : A-LYS pairing one_hbond 
+Residue conformations -------------------------------------------
+A4 : G C4p_exo anti
+A5 : C C3p_endo anti
+A6 : G C2p_exo anti
+A7 : C C3p_endo anti
+A8 : U C3p_endo anti
+A9 : G C3p_endo anti
+A10 : A C2p_endo anti
+A11 : C C1p_exo anti
+A12 : A C3p_endo anti
+A13 : A C3p_endo anti
+A14 : A C2p_exo anti
+A15 : G C2p_exo anti
+A16 : C C3p_endo anti
+A17 : G C2p_exo anti
+A18 : C C3p_endo anti
+B1 : ASN
+B2 : ALA
+B3 : LYS
+B4 : THR
+B5 : ARG
+B6 : ARG
+B7 : HIS
+B8 : GLU
+B9 : ARG
+B10 : ARG
+B11 : ARG
+B12 : LYS
+B13 : LEU
+B14 : ALA
+B15 : ILE
+B16 : GLU
+B17 : ARG
+B18 : ASP
+B19 : THR
+Adjacent stackings ----------------------------------------------
+A4-A5 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A6-A17 : outward 
+A10-A12 : upward 
+Number of stackings = 10
+Number of adjacent stackings = 8
+Number of non adjacent stackings = 2
+Base-pairs ------------------------------------------------------
+A4-A18 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-A17 : C-G Ww/Ww pairing antiparallel cis XIX 
+A6-A16 : G-C Ww/Ww pairing antiparallel cis XIX 
+A7-A15 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-A14 : U-A Ww/Ww pairing antiparallel cis XX 
+A9-A13 : G-A Bs/Hh Ws/O2P pairing antiparallel trans one_hbond 
+A9-B6 : G-ARG pairing one_hbond 
+Residue conformations -------------------------------------------
+A4 : G C4p_exo anti
+A5 : C C3p_endo anti
+A6 : G C2p_exo anti
+A7 : C C3p_endo anti
+A8 : U C2p_exo anti
+A9 : G C3p_endo anti
+A10 : A O4p_endo anti
+A11 : C C1p_exo anti
+A12 : A C3p_endo anti
+A13 : A C3p_endo anti
+A14 : A C2p_exo anti
+A15 : G C2p_exo anti
+A16 : C C3p_endo anti
+A17 : G C2p_exo anti
+A18 : C C3p_endo anti
+B1 : ASN
+B2 : ALA
+B3 : LYS
+B4 : THR
+B5 : ARG
+B6 : ARG
+B7 : HIS
+B8 : GLU
+B9 : ARG
+B10 : ARG
+B11 : ARG
+B12 : LYS
+B13 : LEU
+B14 : ALA
+B15 : ILE
+B16 : GLU
+B17 : ARG
+B18 : ASP
+B19 : THR
+Adjacent stackings ----------------------------------------------
+A4-A5 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A6-A17 : outward 
+A10-A12 : upward 
+Number of stackings = 10
+Number of adjacent stackings = 8
+Number of non adjacent stackings = 2
+Base-pairs ------------------------------------------------------
+A4-A18 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-A17 : C-G Ww/Ww pairing antiparallel cis XIX 
+A6-A16 : G-C Ww/Ww pairing antiparallel cis XIX 
+A7-A15 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-A14 : U-A Ww/Ww pairing antiparallel cis XX 
+A9-A12 : G-A O2'/Hh Ww/O2P pairing 
+A9-A13 : G-A Bs/O2P pairing 
+A9-B6 : G-ARG pairing one_hbond 
+A14-B3 : A-LYS pairing one_hbond 
+Residue conformations -------------------------------------------
+A4 : G C4p_exo anti
+A5 : C C3p_endo anti
+A6 : G C2p_exo anti
+A7 : C C3p_endo anti
+A8 : U C3p_endo anti
+A9 : G C3p_endo anti
+A10 : A O4p_endo anti
+A11 : C C1p_exo anti
+A12 : A C3p_endo anti
+A13 : A C3p_endo anti
+A14 : A C2p_exo anti
+A15 : G C2p_exo anti
+A16 : C C3p_endo anti
+A17 : G C3p_endo anti
+A18 : C C3p_endo anti
+B1 : ASN
+B2 : ALA
+B3 : LYS
+B4 : THR
+B5 : ARG
+B6 : ARG
+B7 : HIS
+B8 : GLU
+B9 : ARG
+B10 : ARG
+B11 : ARG
+B12 : LYS
+B13 : LEU
+B14 : ALA
+B15 : ILE
+B16 : GLU
+B17 : ARG
+B18 : ASP
+B19 : THR
+Adjacent stackings ----------------------------------------------
+A4-A5 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A6-A17 : outward 
+A10-A12 : upward 
+Number of stackings = 10
+Number of adjacent stackings = 8
+Number of non adjacent stackings = 2
+Base-pairs ------------------------------------------------------
+A4-A18 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-A17 : C-G Ww/Ww pairing antiparallel cis XIX 
+A6-A16 : G-C Ww/Ww pairing antiparallel cis XIX 
+A7-A15 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-A14 : U-A Ww/Ww pairing antiparallel cis XX 
+A9-A12 : G-A O2'/Hh Bs/O2P pairing 
+A9-A13 : G-A Bs/O2P pairing 
+A9-B6 : G-ARG pairing one_hbond 
+Residue conformations -------------------------------------------
+A4 : G C4p_exo anti
+A5 : C C3p_endo anti
+A6 : G C2p_exo anti
+A7 : C C3p_endo anti
+A8 : U C3p_endo anti
+A9 : G C3p_endo anti
+A10 : A O4p_endo anti
+A11 : C C1p_exo anti
+A12 : A C3p_endo anti
+A13 : A C3p_endo anti
+A14 : A C2p_exo anti
+A15 : G C2p_exo anti
+A16 : C C3p_endo anti
+A17 : G C2p_exo anti
+A18 : C C3p_endo anti
+B1 : ASN
+B2 : ALA
+B3 : LYS
+B4 : THR
+B5 : ARG
+B6 : ARG
+B7 : HIS
+B8 : GLU
+B9 : ARG
+B10 : ARG
+B11 : ARG
+B12 : LYS
+B13 : LEU
+B14 : ALA
+B15 : ILE
+B16 : GLU
+B17 : ARG
+B18 : ASP
+B19 : THR
+Adjacent stackings ----------------------------------------------
+A4-A5 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A6-A17 : outward 
+A10-A12 : upward 
+Number of stackings = 10
+Number of adjacent stackings = 8
+Number of non adjacent stackings = 2
+Base-pairs ------------------------------------------------------
+A4-A18 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-A17 : C-G Ww/Ww pairing antiparallel cis XIX 
+A6-A16 : G-C Ww/Ww pairing antiparallel cis XIX 
+A7-A15 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-A14 : U-A Ww/Ww pairing antiparallel cis XX 
+A9-A12 : G-A O2'/Hh pairing 
+A9-A13 : G-A Bs/O2P pairing 
+A9-B6 : G-ARG pairing one_hbond 
+A14-B3 : A-LYS pairing one_hbond 
+Residue conformations -------------------------------------------
+A4 : G C4p_exo anti
+A5 : C C3p_endo anti
+A6 : G C2p_exo anti
+A7 : C C3p_endo anti
+A8 : U C3p_endo anti
+A9 : G C3p_endo anti
+A10 : A C1p_exo anti
+A11 : C C1p_exo anti
+A12 : A C2p_exo anti
+A13 : A C3p_endo anti
+A14 : A C2p_exo anti
+A15 : G C2p_exo anti
+A16 : C C3p_endo anti
+A17 : G C3p_endo anti
+A18 : C C3p_endo anti
+B1 : ASN
+B2 : ALA
+B3 : LYS
+B4 : THR
+B5 : ARG
+B6 : ARG
+B7 : HIS
+B8 : GLU
+B9 : ARG
+B10 : ARG
+B11 : ARG
+B12 : LYS
+B13 : LEU
+B14 : ALA
+B15 : ILE
+B16 : GLU
+B17 : ARG
+B18 : ASP
+B19 : THR
+Adjacent stackings ----------------------------------------------
+A4-A5 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A6-A17 : outward 
+A10-A12 : upward 
+Number of stackings = 10
+Number of adjacent stackings = 8
+Number of non adjacent stackings = 2
+Base-pairs ------------------------------------------------------
+A4-A18 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-A17 : C-G Ww/Ww pairing antiparallel cis XIX 
+A6-A16 : G-C Ww/Ww pairing antiparallel cis XIX 
+A7-A15 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-A14 : U-A Ww/Ww pairing antiparallel cis XX 
+A9-A12 : G-A O2'/Hh pairing 
+A9-A13 : G-A Bs/Hh pairing antiparallel trans one_hbond 
+A9-B6 : G-ARG pairing one_hbond 
+A14-B3 : A-LYS pairing one_hbond 
+Residue conformations -------------------------------------------
+A4 : G C3p_endo anti
+A5 : C C3p_endo anti
+A6 : G C2p_exo anti
+A7 : C C3p_endo anti
+A8 : U C2p_exo anti
+A9 : G C3p_endo anti
+A10 : A C1p_exo anti
+A11 : C C1p_exo anti
+A12 : A C3p_endo anti
+A13 : A C3p_endo anti
+A14 : A C2p_exo anti
+A15 : G C2p_exo anti
+A16 : C C2p_exo anti
+A17 : G C3p_endo anti
+A18 : C C3p_endo anti
+B1 : ASN
+B2 : ALA
+B3 : LYS
+B4 : THR
+B5 : ARG
+B6 : ARG
+B7 : HIS
+B8 : GLU
+B9 : ARG
+B10 : ARG
+B11 : ARG
+B12 : LYS
+B13 : LEU
+B14 : ALA
+B15 : ILE
+B16 : GLU
+B17 : ARG
+B18 : ASP
+B19 : THR
+Adjacent stackings ----------------------------------------------
+A4-A5 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A6-A17 : outward 
+A10-A12 : upward 
+Number of stackings = 10
+Number of adjacent stackings = 8
+Number of non adjacent stackings = 2
+Base-pairs ------------------------------------------------------
+A4-A18 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-A17 : C-G Ww/Ww pairing antiparallel cis XIX 
+A6-A16 : G-C Ww/Ww pairing antiparallel cis XIX 
+A7-A15 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-A14 : U-A Ww/Ww pairing antiparallel cis XX 
+A9-A12 : G-A Ww/O2P pairing 
+A9-A13 : G-A Bs/Hh Ws/O2P pairing antiparallel trans one_hbond 
+Residue conformations -------------------------------------------
+A4 : G C4p_exo anti
+A5 : C C3p_endo anti
+A6 : G C2p_exo anti
+A7 : C C3p_endo anti
+A8 : U C2p_exo anti
+A9 : G C3p_endo anti
+A10 : A O4p_endo anti
+A11 : C C1p_exo anti
+A12 : A C3p_endo anti
+A13 : A C3p_endo anti
+A14 : A C2p_exo anti
+A15 : G C2p_exo anti
+A16 : C C3p_endo anti
+A17 : G C2p_exo anti
+A18 : C C3p_endo anti
+B1 : ASN
+B2 : ALA
+B3 : LYS
+B4 : THR
+B5 : ARG
+B6 : ARG
+B7 : HIS
+B8 : GLU
+B9 : ARG
+B10 : ARG
+B11 : ARG
+B12 : LYS
+B13 : LEU
+B14 : ALA
+B15 : ILE
+B16 : GLU
+B17 : ARG
+B18 : ASP
+B19 : THR
+Adjacent stackings ----------------------------------------------
+A4-A5 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A6-A17 : outward 
+A10-A12 : upward 
+Number of stackings = 10
+Number of adjacent stackings = 8
+Number of non adjacent stackings = 2
+Base-pairs ------------------------------------------------------
+A4-A18 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-A17 : C-G Ww/Ww pairing antiparallel cis XIX 
+A6-A16 : G-C Ww/Ww pairing antiparallel cis XIX 
+A7-A15 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-A14 : U-A Ww/Ww pairing antiparallel cis XX 
+A9-A12 : G-A O2'/Hh Ww/O2P pairing 
+A9-A13 : G-A Ws/O2P pairing 
+A9-B6 : G-ARG pairing one_hbond 
+A15-B3 : G-LYS pairing one_hbond 
+Residue conformations -------------------------------------------
+A4 : G C4p_exo anti
+A5 : C C2p_exo anti
+A6 : G C2p_exo anti
+A7 : C C3p_endo anti
+A8 : U C2p_exo anti
+A9 : G C3p_endo anti
+A10 : A O4p_endo anti
+A11 : C C1p_exo anti
+A12 : A C3p_endo anti
+A13 : A C3p_endo anti
+A14 : A C2p_exo anti
+A15 : G C2p_exo anti
+A16 : C C2p_exo anti
+A17 : G C3p_endo anti
+A18 : C C3p_endo anti
+B1 : ASN
+B2 : ALA
+B3 : LYS
+B4 : THR
+B5 : ARG
+B6 : ARG
+B7 : HIS
+B8 : GLU
+B9 : ARG
+B10 : ARG
+B11 : ARG
+B12 : LYS
+B13 : LEU
+B14 : ALA
+B15 : ILE
+B16 : GLU
+B17 : ARG
+B18 : ASP
+B19 : THR
+Adjacent stackings ----------------------------------------------
+A4-A5 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A6-A17 : outward 
+A10-A12 : upward 
+Number of stackings = 10
+Number of adjacent stackings = 8
+Number of non adjacent stackings = 2
+Base-pairs ------------------------------------------------------
+A4-A18 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-A17 : C-G Ww/Ww pairing antiparallel cis XIX 
+A6-A16 : G-C Ww/Ww pairing antiparallel cis XIX 
+A7-A15 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-A14 : U-A Ww/Ww pairing antiparallel cis XX 
+A9-A12 : G-A O2'/Hh pairing 
+A9-A13 : G-A Bs/O2P pairing 
+A9-B6 : G-ARG pairing one_hbond 
diff --git a/MCdata/1a51_MC b/MCdata/1a51_MC
new file mode 100644
index 0000000000000000000000000000000000000000..d38ae2ef91028b71ceb3bd37e9d7241f0ba6d989
--- /dev/null
+++ b/MCdata/1a51_MC
@@ -0,0 +1,897 @@
+Residue conformations -------------------------------------------
+A68 : G C3p_endo anti
+A69 : G C3p_endo anti
+A70 : C C3p_endo anti
+A71 : C C3p_endo anti
+A72 : G C3p_endo anti
+A73 : A C2p_exo anti
+A74 : U C3p_endo anti
+A75 : G C3p_endo anti
+A76 : G C3p_endo anti
+A77 : U C3p_endo anti
+A78 : A C3p_endo anti
+A79 : G C3p_endo anti
+A80 : U C3p_endo anti
+A81 : G C3p_endo anti
+A82 : U C3p_endo anti
+A83 : G C3p_endo anti
+A84 : G C3p_endo anti
+A85 : G C3p_endo anti
+A86 : G C3p_endo anti
+A87 : U C4p_exo anti
+A88 : C C2p_endo anti
+A89 : U C3p_endo anti
+A90 : C C2p_exo anti
+A91 : C C3p_endo anti
+A92 : C C3p_endo anti
+A93 : C C3p_endo anti
+A94 : A C3p_endo anti
+A95 : U C3p_endo anti
+A96 : G C3p_endo anti
+A97 : C C3p_endo anti
+A98 : G C3p_endo anti
+A99 : A C2p_exo anti
+A100 : G C3p_endo anti
+A101 : A C2p_exo anti
+A102 : G C3p_endo anti
+A103 : U C3p_endo anti
+A104 : A C3p_endo anti
+A105 : G C3p_endo anti
+A106 : G C3p_endo anti
+A107 : C C3p_endo anti
+A108 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A68-A69 : adjacent_5p upward 
+A69-A70 : adjacent_5p upward 
+A71-A72 : adjacent_5p upward 
+A73-A74 : adjacent_5p upward 
+A74-A75 : adjacent_5p upward 
+A75-A76 : adjacent_5p upward 
+A76-A77 : adjacent_5p upward 
+A77-A78 : adjacent_5p upward 
+A78-A79 : adjacent_5p upward 
+A79-A80 : adjacent_5p upward 
+A81-A82 : adjacent_5p upward 
+A82-A83 : adjacent_5p upward 
+A83-A84 : adjacent_5p upward 
+A84-A85 : adjacent_5p upward 
+A85-A86 : adjacent_5p upward 
+A93-A94 : adjacent_5p upward 
+A94-A95 : adjacent_5p upward 
+A96-A97 : adjacent_5p upward 
+A97-A98 : adjacent_5p upward 
+A99-A100 : adjacent_5p upward 
+A100-A101 : adjacent_5p upward 
+A101-A102 : adjacent_5p upward 
+A102-A103 : adjacent_5p upward 
+A103-A104 : adjacent_5p upward 
+A104-A105 : adjacent_5p upward 
+A105-A106 : adjacent_5p upward 
+A106-A107 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A73-A104 : outward 
+A78-A99 : outward 
+A81-A96 : outward 
+A83-A94 : outward 
+Number of stackings = 31
+Number of adjacent stackings = 27
+Number of non adjacent stackings = 4
+Base-pairs ------------------------------------------------------
+A68-A108 : G-C Ww/Ww pairing antiparallel cis XIX 
+A69-A107 : G-C Ww/Ww pairing antiparallel cis XIX 
+A70-A106 : C-G Ww/Ww pairing antiparallel cis XIX 
+A71-A105 : C-G Ww/Ww pairing antiparallel cis XIX 
+A72-A102 : G-G Hh/O2P pairing 
+A72-A103 : G-U Ww/O2P Bs/O2P pairing 
+A72-A104 : G-A Ss/Hh pairing antiparallel trans XI 
+A73-A103 : A-U Hh/Ws pairing antiparallel trans XXIV 
+A74-A102 : U-G Hh/Ww pairing antiparallel trans one_hbond 91 
+A75-A101 : G-A Hw/Wh pairing antiparallel cis one_hbond 64 
+A76-A100 : G-G Ww/Bh pairing antiparallel trans 115 
+A77-A99 : U-A Ws/Hh pairing antiparallel trans XXIV 
+A78-A98 : A-G Hh/Ss Bh/O2' pairing antiparallel trans XI 
+A79-A97 : G-C Ww/Ww pairing antiparallel cis XIX 
+A80-A96 : U-G Ws/Ww pairing antiparallel cis XXVIII 
+A81-A95 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+A82-A94 : U-A Ww/Ww pairing antiparallel cis XX 
+A83-A93 : G-C Ww/Ww pairing antiparallel cis XIX 
+A84-A92 : G-C Ww/Ww pairing antiparallel cis XIX 
+A85-A91 : G-C Ww/Ww pairing antiparallel cis XIX 
+A86-A90 : G-C Bs/Ww pairing antiparallel cis 128 
+A89-A90 : U-C O2P/Ww O2P/Bh adjacent_5p pairing 
+Residue conformations -------------------------------------------
+A68 : G C2p_exo anti
+A69 : G C3p_endo anti
+A70 : C C3p_endo anti
+A71 : C C3p_endo anti
+A72 : G C3p_endo anti
+A73 : A C2p_exo anti
+A74 : U C3p_endo anti
+A75 : G C3p_endo anti
+A76 : G C3p_endo anti
+A77 : U C3p_endo anti
+A78 : A C3p_endo anti
+A79 : G C3p_endo anti
+A80 : U C3p_endo anti
+A81 : G C3p_endo anti
+A82 : U C3p_endo anti
+A83 : G C3p_endo anti
+A84 : G C3p_endo anti
+A85 : G C3p_endo anti
+A86 : G C3p_endo anti
+A87 : U C4p_exo anti
+A88 : C C2p_endo anti
+A89 : U C4p_exo anti
+A90 : C C2p_exo anti
+A91 : C C3p_endo anti
+A92 : C C3p_endo anti
+A93 : C C3p_endo anti
+A94 : A C3p_endo anti
+A95 : U C3p_endo anti
+A96 : G C3p_endo anti
+A97 : C C3p_endo anti
+A98 : G C3p_endo anti
+A99 : A C2p_exo anti
+A100 : G C3p_endo anti
+A101 : A C3p_endo anti
+A102 : G C3p_endo anti
+A103 : U C3p_endo anti
+A104 : A C3p_endo anti
+A105 : G C3p_endo anti
+A106 : G C3p_endo anti
+A107 : C C3p_endo anti
+A108 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A68-A69 : adjacent_5p upward 
+A69-A70 : adjacent_5p upward 
+A70-A71 : adjacent_5p upward 
+A71-A72 : adjacent_5p upward 
+A73-A74 : adjacent_5p upward 
+A74-A75 : adjacent_5p upward 
+A75-A76 : adjacent_5p upward 
+A76-A77 : adjacent_5p upward 
+A77-A78 : adjacent_5p upward 
+A78-A79 : adjacent_5p upward 
+A79-A80 : adjacent_5p upward 
+A81-A82 : adjacent_5p upward 
+A82-A83 : adjacent_5p upward 
+A83-A84 : adjacent_5p upward 
+A84-A85 : adjacent_5p upward 
+A85-A86 : adjacent_5p upward 
+A91-A92 : adjacent_5p upward 
+A93-A94 : adjacent_5p upward 
+A94-A95 : adjacent_5p upward 
+A96-A97 : adjacent_5p upward 
+A97-A98 : adjacent_5p upward 
+A99-A100 : adjacent_5p upward 
+A100-A101 : adjacent_5p upward 
+A101-A102 : adjacent_5p upward 
+A102-A103 : adjacent_5p upward 
+A103-A104 : adjacent_5p upward 
+A104-A105 : adjacent_5p upward 
+A105-A106 : adjacent_5p upward 
+A106-A107 : adjacent_5p upward 
+A107-A108 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A73-A104 : outward 
+A78-A99 : outward 
+A81-A96 : outward 
+A83-A94 : outward 
+Number of stackings = 34
+Number of adjacent stackings = 30
+Number of non adjacent stackings = 4
+Base-pairs ------------------------------------------------------
+A68-A108 : G-C Ww/Ww pairing antiparallel cis XIX 
+A69-A107 : G-C Ww/Ww pairing antiparallel cis XIX 
+A70-A106 : C-G Ww/Ww pairing antiparallel cis XIX 
+A71-A105 : C-G Ww/Ww pairing antiparallel cis XIX 
+A72-A104 : G-A Ss/Hh O2'/Bh pairing antiparallel trans XI 
+A73-A103 : A-U Hh/Ws pairing antiparallel trans XXIV 
+A74-A102 : U-G Bh/Ww pairing antiparallel trans 91 
+A76-A100 : G-G Ww/Bh pairing antiparallel trans 115 
+A77-A99 : U-A Ws/Hh pairing antiparallel trans XXIV 
+A78-A98 : A-G Hh/Ss Bh/O2' pairing antiparallel trans XI 
+A79-A97 : G-C Ww/Ww pairing antiparallel cis XIX 
+A80-A96 : U-G Ws/Ww pairing antiparallel cis XXVIII 
+A81-A95 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+A82-A94 : U-A Ww/Ww pairing antiparallel cis XX 
+A83-A93 : G-C Ww/Ww pairing antiparallel cis XIX 
+A84-A92 : G-C Ww/Ww pairing antiparallel cis XIX 
+A85-A91 : G-C Ww/Ww pairing antiparallel cis XIX 
+A86-A90 : G-C Bs/Ww pairing antiparallel cis 128 
+A89-A90 : U-C O2P/Ww adjacent_5p pairing 
+Residue conformations -------------------------------------------
+A68 : G C3p_endo anti
+A69 : G C3p_endo anti
+A70 : C C3p_endo anti
+A71 : C C3p_endo anti
+A72 : G C3p_endo anti
+A73 : A C2p_exo anti
+A74 : U C3p_endo anti
+A75 : G C3p_endo anti
+A76 : G C3p_endo anti
+A77 : U C3p_endo anti
+A78 : A C3p_endo anti
+A79 : G C3p_endo anti
+A80 : U C3p_endo anti
+A81 : G C3p_endo anti
+A82 : U C3p_endo anti
+A83 : G C3p_endo anti
+A84 : G C3p_endo anti
+A85 : G C3p_endo anti
+A86 : G C3p_endo anti
+A87 : U C4p_exo anti
+A88 : C C2p_endo anti
+A89 : U C4p_exo anti
+A90 : C C2p_exo anti
+A91 : C C3p_endo anti
+A92 : C C3p_endo anti
+A93 : C C3p_endo anti
+A94 : A C3p_endo anti
+A95 : U C3p_endo anti
+A96 : G C3p_endo anti
+A97 : C C3p_endo anti
+A98 : G C3p_endo anti
+A99 : A C2p_exo anti
+A100 : G C3p_endo anti
+A101 : A C3p_endo anti
+A102 : G C3p_endo anti
+A103 : U C3p_endo anti
+A104 : A C3p_endo anti
+A105 : G C3p_endo anti
+A106 : G C3p_endo anti
+A107 : C C3p_endo anti
+A108 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A68-A69 : adjacent_5p upward 
+A69-A70 : adjacent_5p upward 
+A71-A72 : adjacent_5p upward 
+A73-A74 : adjacent_5p upward 
+A74-A75 : adjacent_5p upward 
+A75-A76 : adjacent_5p upward 
+A76-A77 : adjacent_5p upward 
+A77-A78 : adjacent_5p upward 
+A78-A79 : adjacent_5p upward 
+A79-A80 : adjacent_5p upward 
+A81-A82 : adjacent_5p upward 
+A83-A84 : adjacent_5p upward 
+A84-A85 : adjacent_5p upward 
+A85-A86 : adjacent_5p upward 
+A91-A92 : adjacent_5p upward 
+A94-A95 : adjacent_5p upward 
+A96-A97 : adjacent_5p upward 
+A97-A98 : adjacent_5p upward 
+A99-A100 : adjacent_5p upward 
+A100-A101 : adjacent_5p upward 
+A101-A102 : adjacent_5p upward 
+A102-A103 : adjacent_5p upward 
+A103-A104 : adjacent_5p upward 
+A104-A105 : adjacent_5p upward 
+A105-A106 : adjacent_5p upward 
+A106-A107 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A73-A104 : outward 
+A78-A99 : outward 
+A81-A96 : outward 
+A83-A94 : outward 
+Number of stackings = 30
+Number of adjacent stackings = 26
+Number of non adjacent stackings = 4
+Base-pairs ------------------------------------------------------
+A68-A108 : G-C Ww/Ww pairing antiparallel cis XIX 
+A69-A107 : G-C Ww/Ww pairing antiparallel cis XIX 
+A70-A106 : C-G Ww/Ww pairing antiparallel cis XIX 
+A71-A105 : C-G Ww/Ww pairing antiparallel cis XIX 
+A72-A104 : G-A Ss/Hh O2'/Bh pairing antiparallel trans XI 
+A73-A103 : A-U Hh/Ws pairing antiparallel trans XXIV 
+A74-A102 : U-G Bh/Ww pairing antiparallel trans 91 
+A76-A100 : G-G Ww/Bh pairing antiparallel trans 115 
+A77-A99 : U-A Ws/Hh pairing antiparallel trans XXIV 
+A78-A98 : A-G Hh/Ss Bh/O2' pairing antiparallel trans XI 
+A79-A97 : G-C Ww/Ww pairing antiparallel cis XIX 
+A80-A96 : U-G Ws/Ww pairing antiparallel cis XXVIII 
+A81-A95 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+A82-A94 : U-A Ww/Ww pairing antiparallel cis XX 
+A83-A93 : G-C Ww/Ww pairing antiparallel cis XIX 
+A84-A92 : G-C Ww/Ww pairing antiparallel cis XIX 
+A85-A91 : G-C Ww/Ww pairing antiparallel cis XIX 
+A86-A90 : G-C Bs/Ww pairing antiparallel cis 128 
+A89-A90 : U-C O2P/Ww O2P/Bh adjacent_5p pairing 
+Residue conformations -------------------------------------------
+A68 : G C2p_exo anti
+A69 : G C3p_endo anti
+A70 : C C3p_endo anti
+A71 : C C3p_endo anti
+A72 : G C3p_endo anti
+A73 : A C2p_exo anti
+A74 : U C3p_endo anti
+A75 : G C3p_endo anti
+A76 : G C3p_endo anti
+A77 : U C3p_endo anti
+A78 : A C3p_endo anti
+A79 : G C3p_endo anti
+A80 : U C3p_endo anti
+A81 : G C3p_endo anti
+A82 : U C3p_endo anti
+A83 : G C3p_endo anti
+A84 : G C3p_endo anti
+A85 : G C3p_endo anti
+A86 : G C3p_endo anti
+A87 : U C4p_exo anti
+A88 : C C2p_endo anti
+A89 : U C4p_exo anti
+A90 : C C2p_exo anti
+A91 : C C3p_endo anti
+A92 : C C3p_endo anti
+A93 : C C3p_endo anti
+A94 : A C3p_endo anti
+A95 : U C3p_endo anti
+A96 : G C3p_endo anti
+A97 : C C3p_endo anti
+A98 : G C3p_endo anti
+A99 : A C3p_endo anti
+A100 : G C3p_endo anti
+A101 : A C3p_endo anti
+A102 : G C3p_endo anti
+A103 : U C3p_endo anti
+A104 : A C3p_endo anti
+A105 : G C3p_endo anti
+A106 : G C3p_endo anti
+A107 : C C3p_endo anti
+A108 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A68-A69 : adjacent_5p upward 
+A69-A70 : adjacent_5p upward 
+A70-A71 : adjacent_5p upward 
+A71-A72 : adjacent_5p upward 
+A73-A74 : adjacent_5p upward 
+A74-A75 : adjacent_5p upward 
+A75-A76 : adjacent_5p upward 
+A76-A77 : adjacent_5p upward 
+A78-A79 : adjacent_5p upward 
+A79-A80 : adjacent_5p upward 
+A81-A82 : adjacent_5p upward 
+A83-A84 : adjacent_5p upward 
+A84-A85 : adjacent_5p upward 
+A85-A86 : adjacent_5p upward 
+A91-A92 : adjacent_5p upward 
+A93-A94 : adjacent_5p upward 
+A94-A95 : adjacent_5p upward 
+A96-A97 : adjacent_5p upward 
+A97-A98 : adjacent_5p upward 
+A99-A100 : adjacent_5p upward 
+A100-A101 : adjacent_5p upward 
+A101-A102 : adjacent_5p upward 
+A102-A103 : adjacent_5p upward 
+A103-A104 : adjacent_5p upward 
+A104-A105 : adjacent_5p upward 
+A105-A106 : adjacent_5p upward 
+A106-A107 : adjacent_5p upward 
+A107-A108 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A73-A104 : outward 
+A78-A99 : outward 
+A81-A96 : outward 
+A83-A94 : outward 
+Number of stackings = 32
+Number of adjacent stackings = 28
+Number of non adjacent stackings = 4
+Base-pairs ------------------------------------------------------
+A68-A108 : G-C Ww/Ww pairing antiparallel cis XIX 
+A69-A107 : G-C Ww/Ww pairing antiparallel cis XIX 
+A70-A106 : C-G Ww/Ww pairing antiparallel cis XIX 
+A71-A105 : C-G Ww/Ww pairing antiparallel cis XIX 
+A72-A104 : G-A Ss/Hh O2'/Bh pairing antiparallel trans XI 
+A73-A103 : A-U Hh/Ws pairing antiparallel trans XXIV 
+A74-A102 : U-G Bh/Ww pairing antiparallel trans 91 
+A75-A101 : G-A Hw/Wh pairing antiparallel cis one_hbond 64 
+A76-A100 : G-G Ww/Bh pairing antiparallel trans 115 
+A77-A99 : U-A Ws/Hh pairing antiparallel trans XXIV 
+A78-A98 : A-G Hh/Ss Bh/O2' pairing antiparallel trans XI 
+A79-A97 : G-C Ww/Ww pairing antiparallel cis XIX 
+A80-A96 : U-G Ws/Ww pairing antiparallel cis XXVIII 
+A81-A95 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+A82-A94 : U-A Ww/Ww pairing antiparallel cis XX 
+A83-A93 : G-C Ww/Ww pairing antiparallel cis XIX 
+A84-A92 : G-C Ww/Ww pairing antiparallel cis XIX 
+A85-A91 : G-C Ww/Ww pairing antiparallel cis XIX 
+A86-A90 : G-C Bs/Ww pairing antiparallel cis 128 
+A89-A90 : U-C O2P/Ww adjacent_5p pairing 
+Residue conformations -------------------------------------------
+A68 : G C2p_exo anti
+A69 : G C3p_endo anti
+A70 : C C3p_endo anti
+A71 : C C3p_endo anti
+A72 : G C3p_endo anti
+A73 : A C2p_exo anti
+A74 : U C3p_endo anti
+A75 : G C3p_endo anti
+A76 : G C3p_endo anti
+A77 : U C3p_endo anti
+A78 : A C3p_endo anti
+A79 : G C3p_endo anti
+A80 : U C3p_endo anti
+A81 : G C3p_endo anti
+A82 : U C3p_endo anti
+A83 : G C3p_endo anti
+A84 : G C3p_endo anti
+A85 : G C3p_endo anti
+A86 : G C3p_endo anti
+A87 : U C4p_exo anti
+A88 : C C2p_endo anti
+A89 : U C4p_exo anti
+A90 : C C2p_exo anti
+A91 : C C3p_endo anti
+A92 : C C3p_endo anti
+A93 : C C3p_endo anti
+A94 : A C3p_endo anti
+A95 : U C3p_endo anti
+A96 : G C3p_endo anti
+A97 : C C3p_endo anti
+A98 : G C2p_exo anti
+A99 : A C3p_endo anti
+A100 : G C3p_endo anti
+A101 : A C3p_endo anti
+A102 : G C3p_endo anti
+A103 : U C3p_endo anti
+A104 : A C3p_endo anti
+A105 : G C3p_endo anti
+A106 : G C3p_endo anti
+A107 : C C3p_endo anti
+A108 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A68-A69 : adjacent_5p upward 
+A69-A70 : adjacent_5p upward 
+A70-A71 : adjacent_5p upward 
+A71-A72 : adjacent_5p upward 
+A73-A74 : adjacent_5p upward 
+A74-A75 : adjacent_5p upward 
+A75-A76 : adjacent_5p upward 
+A76-A77 : adjacent_5p upward 
+A77-A78 : adjacent_5p upward 
+A78-A79 : adjacent_5p upward 
+A79-A80 : adjacent_5p upward 
+A81-A82 : adjacent_5p upward 
+A83-A84 : adjacent_5p upward 
+A84-A85 : adjacent_5p upward 
+A85-A86 : adjacent_5p upward 
+A93-A94 : adjacent_5p upward 
+A94-A95 : adjacent_5p upward 
+A96-A97 : adjacent_5p upward 
+A97-A98 : adjacent_5p upward 
+A99-A100 : adjacent_5p upward 
+A100-A101 : adjacent_5p upward 
+A101-A102 : adjacent_5p upward 
+A102-A103 : adjacent_5p upward 
+A103-A104 : adjacent_5p upward 
+A104-A105 : adjacent_5p upward 
+A105-A106 : adjacent_5p upward 
+A106-A107 : adjacent_5p upward 
+A107-A108 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A73-A104 : outward 
+A78-A99 : outward 
+A81-A96 : outward 
+A83-A94 : outward 
+Number of stackings = 32
+Number of adjacent stackings = 28
+Number of non adjacent stackings = 4
+Base-pairs ------------------------------------------------------
+A68-A108 : G-C Ww/Ww pairing antiparallel cis XIX 
+A69-A107 : G-C Ww/Ww pairing antiparallel cis XIX 
+A70-A106 : C-G Ww/Ww pairing antiparallel cis XIX 
+A71-A105 : C-G Ww/Ww pairing antiparallel cis XIX 
+A72-A104 : G-A Ss/Hh O2'/Bh pairing antiparallel trans XI 
+A73-A103 : A-U Hh/Ws pairing antiparallel trans XXIV 
+A74-A102 : U-G Bh/Ww pairing antiparallel trans 91 
+A76-A100 : G-G Ww/Bh pairing antiparallel trans 115 
+A77-A98 : U-G O2P/Ww pairing 
+A77-A99 : U-A Ws/Hh pairing antiparallel trans XXIV 
+A78-A98 : A-G Hh/Ss pairing antiparallel trans XI 
+A79-A97 : G-C Ww/Ww pairing antiparallel cis XIX 
+A80-A96 : U-G Ws/Ww pairing antiparallel cis XXVIII 
+A81-A95 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+A82-A94 : U-A Ww/Ww pairing antiparallel cis XX 
+A83-A93 : G-C Ww/Ww pairing antiparallel cis XIX 
+A84-A92 : G-C Ww/Ww pairing antiparallel cis XIX 
+A85-A91 : G-C Ww/Ww pairing antiparallel cis XIX 
+A86-A90 : G-C Bs/Ww pairing antiparallel cis 128 
+A89-A90 : U-C O2P/Ww O2P/Bh adjacent_5p pairing 
+Residue conformations -------------------------------------------
+A68 : G C3p_endo anti
+A69 : G C3p_endo anti
+A70 : C C3p_endo anti
+A71 : C C3p_endo anti
+A72 : G C3p_endo anti
+A73 : A C3p_endo anti
+A74 : U C3p_endo anti
+A75 : G C3p_endo anti
+A76 : G C3p_endo anti
+A77 : U C3p_endo anti
+A78 : A C3p_endo anti
+A79 : G C3p_endo anti
+A80 : U C3p_endo anti
+A81 : G C3p_endo anti
+A82 : U C3p_endo anti
+A83 : G C3p_endo anti
+A84 : G C3p_endo anti
+A85 : G C3p_endo anti
+A86 : G C3p_endo anti
+A87 : U C4p_exo anti
+A88 : C C2p_endo anti
+A89 : U C4p_exo anti
+A90 : C C2p_exo anti
+A91 : C C3p_endo anti
+A92 : C C3p_endo anti
+A93 : C C3p_endo anti
+A94 : A C3p_endo anti
+A95 : U C3p_endo anti
+A96 : G C3p_endo anti
+A97 : C C3p_endo anti
+A98 : G C2p_exo anti
+A99 : A C3p_endo anti
+A100 : G C3p_endo anti
+A101 : A C3p_endo anti
+A102 : G C3p_endo anti
+A103 : U C3p_endo anti
+A104 : A C3p_endo anti
+A105 : G C3p_endo anti
+A106 : G C3p_endo anti
+A107 : C C3p_endo anti
+A108 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A68-A69 : adjacent_5p upward 
+A69-A70 : adjacent_5p upward 
+A71-A72 : adjacent_5p upward 
+A73-A74 : adjacent_5p upward 
+A74-A75 : adjacent_5p upward 
+A75-A76 : adjacent_5p upward 
+A76-A77 : adjacent_5p upward 
+A77-A78 : adjacent_5p upward 
+A78-A79 : adjacent_5p upward 
+A79-A80 : adjacent_5p upward 
+A81-A82 : adjacent_5p upward 
+A83-A84 : adjacent_5p upward 
+A84-A85 : adjacent_5p upward 
+A85-A86 : adjacent_5p upward 
+A90-A91 : adjacent_5p upward 
+A91-A92 : adjacent_5p upward 
+A94-A95 : adjacent_5p upward 
+A96-A97 : adjacent_5p upward 
+A97-A98 : adjacent_5p upward 
+A99-A100 : adjacent_5p upward 
+A100-A101 : adjacent_5p upward 
+A101-A102 : adjacent_5p upward 
+A102-A103 : adjacent_5p upward 
+A103-A104 : adjacent_5p upward 
+A104-A105 : adjacent_5p upward 
+A105-A106 : adjacent_5p upward 
+A106-A107 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A73-A104 : outward 
+A78-A99 : outward 
+A81-A96 : outward 
+A83-A94 : outward 
+Number of stackings = 31
+Number of adjacent stackings = 27
+Number of non adjacent stackings = 4
+Base-pairs ------------------------------------------------------
+A68-A108 : G-C Ww/Ww pairing antiparallel cis XIX 
+A69-A107 : G-C Ww/Ww pairing antiparallel cis XIX 
+A70-A106 : C-G Ww/Ww pairing antiparallel cis XIX 
+A71-A105 : C-G Ww/Ww pairing antiparallel cis XIX 
+A72-A104 : G-A Ss/Hh pairing antiparallel trans XI 
+A73-A103 : A-U Hh/Ws pairing antiparallel trans XXIV 
+A74-A102 : U-G Bh/Ww pairing antiparallel trans 91 
+A75-A101 : G-A Wh/Wh pairing antiparallel cis one_hbond 
+A76-A100 : G-G Ww/Bh pairing antiparallel trans 115 
+A77-A98 : U-G O2P/Ww O2P/Bs pairing 
+A77-A99 : U-A Ws/Hh pairing antiparallel trans XXIV 
+A78-A98 : A-G Hh/Ss pairing antiparallel trans XI 
+A79-A97 : G-C Ww/Ww pairing antiparallel cis XIX 
+A80-A96 : U-G Ws/Ww pairing antiparallel cis XXVIII 
+A81-A95 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+A82-A94 : U-A Ww/Ww pairing antiparallel cis XX 
+A83-A93 : G-C Ww/Ww pairing antiparallel cis XIX 
+A84-A92 : G-C Ww/Ww pairing antiparallel cis XIX 
+A85-A91 : G-C Ww/Ww pairing antiparallel cis XIX 
+A86-A90 : G-C Bs/Ww pairing antiparallel cis one_hbond 128 
+A89-A90 : U-C O2P/Ww adjacent_5p pairing 
+Residue conformations -------------------------------------------
+A68 : G C2p_exo anti
+A69 : G C3p_endo anti
+A70 : C C3p_endo anti
+A71 : C C3p_endo anti
+A72 : G C3p_endo anti
+A73 : A C2p_exo anti
+A74 : U C3p_endo anti
+A75 : G C3p_endo anti
+A76 : G C3p_endo anti
+A77 : U C3p_endo anti
+A78 : A C3p_endo anti
+A79 : G C3p_endo anti
+A80 : U C3p_endo anti
+A81 : G C3p_endo anti
+A82 : U C3p_endo anti
+A83 : G C3p_endo anti
+A84 : G C3p_endo anti
+A85 : G C3p_endo anti
+A86 : G C3p_endo anti
+A87 : U C4p_exo anti
+A88 : C C2p_endo anti
+A89 : U C4p_exo anti
+A90 : C C2p_exo anti
+A91 : C C3p_endo anti
+A92 : C C3p_endo anti
+A93 : C C3p_endo anti
+A94 : A C3p_endo anti
+A95 : U C3p_endo anti
+A96 : G C3p_endo anti
+A97 : C C3p_endo anti
+A98 : G C3p_endo anti
+A99 : A C2p_exo anti
+A100 : G C3p_endo anti
+A101 : A C3p_endo anti
+A102 : G C3p_endo anti
+A103 : U C3p_endo anti
+A104 : A C3p_endo anti
+A105 : G C3p_endo anti
+A106 : G C3p_endo anti
+A107 : C C3p_endo anti
+A108 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A68-A69 : adjacent_5p upward 
+A69-A70 : adjacent_5p upward 
+A70-A71 : adjacent_5p upward 
+A71-A72 : adjacent_5p upward 
+A73-A74 : adjacent_5p upward 
+A74-A75 : adjacent_5p upward 
+A75-A76 : adjacent_5p upward 
+A76-A77 : adjacent_5p upward 
+A77-A78 : adjacent_5p upward 
+A78-A79 : adjacent_5p upward 
+A79-A80 : adjacent_5p upward 
+A81-A82 : adjacent_5p upward 
+A83-A84 : adjacent_5p upward 
+A84-A85 : adjacent_5p upward 
+A85-A86 : adjacent_5p upward 
+A91-A92 : adjacent_5p upward 
+A93-A94 : adjacent_5p upward 
+A94-A95 : adjacent_5p upward 
+A96-A97 : adjacent_5p upward 
+A97-A98 : adjacent_5p upward 
+A99-A100 : adjacent_5p upward 
+A100-A101 : adjacent_5p upward 
+A101-A102 : adjacent_5p upward 
+A102-A103 : adjacent_5p upward 
+A103-A104 : adjacent_5p upward 
+A104-A105 : adjacent_5p upward 
+A105-A106 : adjacent_5p upward 
+A106-A107 : adjacent_5p upward 
+A107-A108 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A73-A104 : outward 
+A78-A99 : outward 
+A81-A96 : outward 
+A83-A94 : outward 
+Number of stackings = 33
+Number of adjacent stackings = 29
+Number of non adjacent stackings = 4
+Base-pairs ------------------------------------------------------
+A68-A108 : G-C Ww/Ww pairing antiparallel cis XIX 
+A69-A107 : G-C Ww/Ww pairing antiparallel cis XIX 
+A70-A106 : C-G Ww/Ww pairing antiparallel cis XIX 
+A71-A105 : C-G Ww/Ww pairing antiparallel cis XIX 
+A72-A104 : G-A Ss/Hh O2'/Bh pairing antiparallel trans XI 
+A73-A103 : A-U Hh/Ws pairing antiparallel trans XXIV 
+A74-A102 : U-G Bh/Ww pairing antiparallel trans 91 
+A76-A100 : G-G Ww/Bh pairing antiparallel trans 115 
+A77-A99 : U-A Ws/Hh pairing antiparallel trans XXIV 
+A78-A98 : A-G Hh/Ss Bh/O2' pairing antiparallel trans XI 
+A79-A97 : G-C Ww/Ww pairing antiparallel cis XIX 
+A80-A96 : U-G Ws/Ww pairing antiparallel cis XXVIII 
+A81-A95 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+A82-A94 : U-A Ww/Ww pairing antiparallel cis XX 
+A83-A93 : G-C Ww/Ww pairing antiparallel cis XIX 
+A84-A92 : G-C Ww/Ww pairing antiparallel cis XIX 
+A85-A91 : G-C Ww/Ww pairing antiparallel cis XIX 
+A86-A90 : G-C Bs/Ww pairing antiparallel cis 128 
+A89-A90 : U-C O2P/Ww adjacent_5p pairing 
+Residue conformations -------------------------------------------
+A68 : G C3p_endo anti
+A69 : G C3p_endo anti
+A70 : C C3p_endo anti
+A71 : C C3p_endo anti
+A72 : G C3p_endo anti
+A73 : A C2p_exo anti
+A74 : U C3p_endo anti
+A75 : G C3p_endo anti
+A76 : G C3p_endo anti
+A77 : U C3p_endo anti
+A78 : A C3p_endo anti
+A79 : G C3p_endo anti
+A80 : U C3p_endo anti
+A81 : G C3p_endo anti
+A82 : U C3p_endo anti
+A83 : G C3p_endo anti
+A84 : G C3p_endo anti
+A85 : G C3p_endo anti
+A86 : G C3p_endo anti
+A87 : U C4p_exo anti
+A88 : C C2p_endo anti
+A89 : U C4p_exo anti
+A90 : C C2p_exo anti
+A91 : C C3p_endo anti
+A92 : C C3p_endo anti
+A93 : C C3p_endo anti
+A94 : A C3p_endo anti
+A95 : U C3p_endo anti
+A96 : G C3p_endo anti
+A97 : C C3p_endo anti
+A98 : G C3p_endo anti
+A99 : A C3p_endo anti
+A100 : G C3p_endo anti
+A101 : A C3p_endo anti
+A102 : G C3p_endo anti
+A103 : U C3p_endo anti
+A104 : A C3p_endo anti
+A105 : G C3p_endo anti
+A106 : G C3p_endo anti
+A107 : C C3p_endo anti
+A108 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A68-A69 : adjacent_5p upward 
+A69-A70 : adjacent_5p upward 
+A70-A71 : adjacent_5p upward 
+A71-A72 : adjacent_5p upward 
+A73-A74 : adjacent_5p upward 
+A74-A75 : adjacent_5p upward 
+A75-A76 : adjacent_5p upward 
+A76-A77 : adjacent_5p upward 
+A78-A79 : adjacent_5p upward 
+A79-A80 : adjacent_5p upward 
+A81-A82 : adjacent_5p upward 
+A83-A84 : adjacent_5p upward 
+A84-A85 : adjacent_5p upward 
+A85-A86 : adjacent_5p upward 
+A90-A91 : adjacent_5p upward 
+A91-A92 : adjacent_5p upward 
+A93-A94 : adjacent_5p upward 
+A94-A95 : adjacent_5p upward 
+A96-A97 : adjacent_5p upward 
+A97-A98 : adjacent_5p upward 
+A99-A100 : adjacent_5p upward 
+A100-A101 : adjacent_5p upward 
+A101-A102 : adjacent_5p upward 
+A102-A103 : adjacent_5p upward 
+A103-A104 : adjacent_5p upward 
+A104-A105 : adjacent_5p upward 
+A105-A106 : adjacent_5p upward 
+A106-A107 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A73-A104 : outward 
+A78-A99 : outward 
+A81-A96 : outward 
+A83-A94 : outward 
+Number of stackings = 32
+Number of adjacent stackings = 28
+Number of non adjacent stackings = 4
+Base-pairs ------------------------------------------------------
+A68-A108 : G-C Ww/Ww pairing antiparallel cis XIX 
+A69-A107 : G-C Ww/Ww pairing antiparallel cis XIX 
+A70-A106 : C-G Ww/Ww pairing antiparallel cis XIX 
+A71-A105 : C-G Ww/Ww pairing antiparallel cis XIX 
+A72-A104 : G-A Ss/Hh O2'/Bh pairing antiparallel trans XI 
+A73-A103 : A-U Hh/Ws pairing antiparallel trans XXIV 
+A74-A102 : U-G Bh/Ww pairing antiparallel trans 91 
+A76-A100 : G-G Ww/Bh pairing antiparallel trans 115 
+A77-A99 : U-A Ws/Hh pairing antiparallel trans XXIV 
+A78-A98 : A-G Hh/Ss Bh/O2' pairing antiparallel trans XI 
+A79-A97 : G-C Ww/Ww pairing antiparallel cis XIX 
+A80-A96 : U-G Ws/Ww pairing antiparallel cis XXVIII 
+A81-A95 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+A82-A94 : U-A Ww/Ww pairing antiparallel cis XX 
+A83-A93 : G-C Ww/Ww pairing antiparallel cis XIX 
+A84-A92 : G-C Ww/Ww pairing antiparallel cis XIX 
+A85-A91 : G-C Ww/Ww pairing antiparallel cis XIX 
+A86-A90 : G-C Bs/Ww pairing antiparallel cis 128 
+A89-A90 : U-C O2P/Ww adjacent_5p pairing 
+Residue conformations -------------------------------------------
+A68 : G C3p_endo anti
+A69 : G C3p_endo anti
+A70 : C C3p_endo anti
+A71 : C C3p_endo anti
+A72 : G C3p_endo anti
+A73 : A C2p_exo anti
+A74 : U C3p_endo anti
+A75 : G C3p_endo anti
+A76 : G C3p_endo anti
+A77 : U C3p_endo anti
+A78 : A C3p_endo anti
+A79 : G C3p_endo anti
+A80 : U C3p_endo anti
+A81 : G C3p_endo anti
+A82 : U C3p_endo anti
+A83 : G C3p_endo anti
+A84 : G C3p_endo anti
+A85 : G C3p_endo anti
+A86 : G C3p_endo anti
+A87 : U C4p_exo anti
+A88 : C C2p_endo anti
+A89 : U C4p_exo anti
+A90 : C C2p_exo anti
+A91 : C C3p_endo anti
+A92 : C C3p_endo anti
+A93 : C C3p_endo anti
+A94 : A C3p_endo anti
+A95 : U C3p_endo anti
+A96 : G C3p_endo anti
+A97 : C C3p_endo anti
+A98 : G C3p_endo anti
+A99 : A C3p_endo anti
+A100 : G C3p_endo anti
+A101 : A C3p_endo anti
+A102 : G C3p_endo anti
+A103 : U C3p_endo anti
+A104 : A C3p_endo anti
+A105 : G C3p_endo anti
+A106 : G C3p_endo anti
+A107 : C C3p_endo anti
+A108 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A68-A69 : adjacent_5p upward 
+A69-A70 : adjacent_5p upward 
+A70-A71 : adjacent_5p upward 
+A71-A72 : adjacent_5p upward 
+A73-A74 : adjacent_5p upward 
+A74-A75 : adjacent_5p upward 
+A75-A76 : adjacent_5p upward 
+A76-A77 : adjacent_5p upward 
+A77-A78 : adjacent_5p upward 
+A78-A79 : adjacent_5p upward 
+A79-A80 : adjacent_5p upward 
+A81-A82 : adjacent_5p upward 
+A83-A84 : adjacent_5p upward 
+A84-A85 : adjacent_5p upward 
+A85-A86 : adjacent_5p upward 
+A91-A92 : adjacent_5p upward 
+A94-A95 : adjacent_5p upward 
+A96-A97 : adjacent_5p upward 
+A97-A98 : adjacent_5p upward 
+A99-A100 : adjacent_5p upward 
+A100-A101 : adjacent_5p upward 
+A101-A102 : adjacent_5p upward 
+A102-A103 : adjacent_5p upward 
+A103-A104 : adjacent_5p upward 
+A104-A105 : adjacent_5p upward 
+A105-A106 : adjacent_5p upward 
+A106-A107 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A73-A104 : outward 
+A78-A99 : outward 
+A81-A96 : outward 
+A83-A94 : outward 
+Number of stackings = 31
+Number of adjacent stackings = 27
+Number of non adjacent stackings = 4
+Base-pairs ------------------------------------------------------
+A68-A108 : G-C Ww/Ww pairing antiparallel cis XIX 
+A69-A107 : G-C Ww/Ww pairing antiparallel cis XIX 
+A70-A106 : C-G Ww/Ww pairing antiparallel cis XIX 
+A71-A105 : C-G Ww/Ww pairing antiparallel cis XIX 
+A72-A104 : G-A Ss/Hh O2'/Bh pairing antiparallel trans XI 
+A73-A103 : A-U Hh/Ws pairing antiparallel trans XXIV 
+A74-A102 : U-G Bh/Ww pairing antiparallel trans 91 
+A75-A101 : G-A Hw/Wh pairing antiparallel cis one_hbond 64 
+A76-A100 : G-G Ww/Bh pairing antiparallel trans 115 
+A77-A99 : U-A Ws/Hh pairing antiparallel trans XXIV 
+A78-A98 : A-G Hh/Ss pairing antiparallel trans XI 
+A79-A97 : G-C Ww/Ww pairing antiparallel cis XIX 
+A80-A96 : U-G Ws/Ww pairing antiparallel cis XXVIII 
+A81-A95 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+A82-A94 : U-A Ww/Ww pairing antiparallel cis XX 
+A83-A93 : G-C Ww/Ww pairing antiparallel cis XIX 
+A84-A92 : G-C Ww/Ww pairing antiparallel cis XIX 
+A85-A91 : G-C Ww/Ww pairing antiparallel cis XIX 
+A86-A90 : G-C Bs/Ww pairing antiparallel cis 128 
+A89-A90 : U-C O2P/Ww adjacent_5p pairing 
diff --git a/MCdata/1a60_MC b/MCdata/1a60_MC
new file mode 100644
index 0000000000000000000000000000000000000000..8700dc0c5361ce33624b88c85595c252899080b3
--- /dev/null
+++ b/MCdata/1a60_MC
@@ -0,0 +1,2298 @@
+Residue conformations -------------------------------------------
+A1 : G C2p_exo anti
+A2 : G C4p_exo anti
+A3 : G C3p_endo anti
+A4 : A C2p_exo anti
+A5 : G C3p_endo anti
+A6 : C C3p_endo anti
+A7 : U C3p_endo anti
+A8 : C C2p_endo anti
+A9 : A C3p_endo anti
+A10 : A C3p_endo anti
+A11 : C C3p_endo anti
+A12 : U C3p_endo anti
+A13 : C C2p_exo anti
+A14 : U C3p_endo anti
+A15 : C C3p_endo anti
+A16 : C C3p_endo anti
+A17 : C C3p_endo anti
+A18 : C C3p_endo anti
+A19 : C C3p_endo anti
+A20 : C C3p_endo anti
+A21 : C C3p_endo anti
+A22 : U C2p_endo anti
+A23 : U C3p_endo anti
+A24 : U C2p_exo anti
+A25 : U C3p_endo anti
+A26 : C C3p_endo anti
+A27 : C C3p_endo anti
+A28 : G C3p_endo anti
+A29 : A C3p_endo anti
+A30 : G C3p_endo anti
+A31 : G C2p_exo anti
+A32 : G C2p_exo anti
+A33 : U C2p_endo anti
+A34 : C C3p_endo anti
+A35 : A C2p_endo anti
+A36 : U C3p_endo anti
+A37 : C C3p_endo anti
+A38 : G C3p_endo anti
+A39 : G C4p_exo anti
+A40 : A C2p_exo anti
+A41 : A C3p_endo anti
+A42 : C C3p_endo anti
+A43 : C C3p_endo anti
+A44 : A O4p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+A25-A26 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+A28-A29 : adjacent_5p upward 
+A29-A30 : adjacent_5p upward 
+A30-A31 : adjacent_5p upward 
+A31-A32 : adjacent_5p upward 
+A36-A37 : adjacent_5p upward 
+A38-A39 : adjacent_5p upward 
+A39-A40 : adjacent_5p upward pairing 
+A40-A41 : adjacent_5p upward 
+A41-A42 : adjacent_5p upward 
+A42-A43 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A28-A38 : outward 
+Number of stackings = 24
+Number of adjacent stackings = 23
+Number of non adjacent stackings = 1
+Base-pairs ------------------------------------------------------
+A1-A17 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A16 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A15 : G-C Ww/Ww pairing antiparallel cis XIX 
+A4-A14 : A-U Ww/Ww pairing antiparallel cis XX 
+A5-A13 : G-C Ww/Ww pairing antiparallel cis XIX 
+A6-A11 : C-C Ww/Wh pairing antiparallel cis one_hbond 131 
+A18-A32 : C-G Ww/Ww pairing antiparallel cis XIX 
+A19-A31 : C-G Ww/Ww pairing antiparallel cis XIX 
+A20-A30 : C-G Ww/Ww pairing antiparallel cis XIX 
+A20-A35 : C-A Ws/Bs pairing parallel cis one_hbond 
+A21-A37 : C-C Ss/Hw O2'/Bh pairing parallel cis one_hbond 
+A22-A24 : U-U Hh/O2P pairing 
+A24-A41 : U-A Ww/Ww pairing antiparallel cis one_hbond 
+A25-A40 : U-A Ww/Ww pairing antiparallel cis XX 
+A26-A39 : C-G Ww/Ww pairing antiparallel cis XIX 
+A27-A38 : C-G Ww/Ww pairing antiparallel cis XIX 
+A28-A37 : G-C Ww/Ww pairing antiparallel cis XIX 
+A29-A36 : A-U Ww/Ww pairing antiparallel cis XX 
+A30-A35 : G-A Bs/Ww pairing antiparallel cis one_hbond 
+A39-A40 : G-A O2'/Hh adjacent_5p upward pairing 
+Residue conformations -------------------------------------------
+A1 : G C2p_exo anti
+A2 : G C4p_exo anti
+A3 : G C3p_endo anti
+A4 : A C2p_exo anti
+A5 : G C3p_endo anti
+A6 : C C3p_endo anti
+A7 : U C3p_endo anti
+A8 : C C3p_endo anti
+A9 : A C3p_endo anti
+A10 : A C3p_endo anti
+A11 : C C3p_endo anti
+A12 : U C3p_endo anti
+A13 : C C2p_exo anti
+A14 : U C3p_endo anti
+A15 : C C3p_endo anti
+A16 : C C3p_endo anti
+A17 : C C3p_endo anti
+A18 : C C3p_endo anti
+A19 : C C3p_endo anti
+A20 : C C3p_endo anti
+A21 : C C4p_exo anti
+A22 : U C2p_endo anti
+A23 : U C3p_endo anti
+A24 : U C3p_endo anti
+A25 : U C3p_endo anti
+A26 : C C3p_endo anti
+A27 : C C3p_endo anti
+A28 : G C3p_endo anti
+A29 : A C3p_endo anti
+A30 : G C3p_endo anti
+A31 : G C4p_exo anti
+A32 : G C3p_endo anti
+A33 : U C2p_endo anti
+A34 : C C3p_endo anti
+A35 : A C2p_endo anti
+A36 : U C3p_endo anti
+A37 : C C4p_exo anti
+A38 : G C3p_endo anti
+A39 : G C4p_exo anti
+A40 : A C2p_exo anti
+A41 : A C3p_endo anti
+A42 : C C3p_endo anti
+A43 : C C3p_endo anti
+A44 : A O4p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A23-A24 : adjacent_5p upward 
+A25-A26 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+A28-A29 : adjacent_5p upward 
+A29-A30 : adjacent_5p upward 
+A30-A31 : adjacent_5p upward 
+A31-A32 : adjacent_5p upward 
+A36-A37 : adjacent_5p upward 
+A38-A39 : adjacent_5p upward 
+A39-A40 : adjacent_5p upward pairing 
+A40-A41 : adjacent_5p upward 
+A41-A42 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A28-A38 : outward 
+Number of stackings = 24
+Number of adjacent stackings = 23
+Number of non adjacent stackings = 1
+Base-pairs ------------------------------------------------------
+A1-A17 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A16 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A15 : G-C Ww/Ww pairing antiparallel cis XIX 
+A4-A14 : A-U Ww/Ww pairing antiparallel cis XX 
+A5-A13 : G-C Ww/Ww pairing antiparallel cis XIX 
+A7-A9 : U-A Hh/O2P pairing 
+A18-A32 : C-G Ww/Ww pairing antiparallel cis XIX 
+A19-A31 : C-G Ww/Ww pairing antiparallel cis XIX 
+A20-A30 : C-G Ww/Ww pairing antiparallel cis XIX 
+A21-A27 : C-C Ws/Hh pairing parallel trans one_hbond 
+A25-A40 : U-A Ww/Ww pairing antiparallel cis XX 
+A26-A39 : C-G Ww/Ww pairing antiparallel cis XIX 
+A27-A38 : C-G Ww/Ww pairing antiparallel cis XIX 
+A28-A37 : G-C Ww/Ww pairing antiparallel cis XIX 
+A29-A36 : A-U Ww/Ww pairing antiparallel cis XX 
+A30-A35 : G-A Ws/Ww pairing antiparallel cis one_hbond 
+A31-A35 : G-A Ss/Wh O2'/Bh pairing parallel trans one_hbond 
+A39-A40 : G-A O2'/Hh adjacent_5p upward pairing 
+Residue conformations -------------------------------------------
+A1 : G C1p_exo anti
+A2 : G C3p_endo anti
+A3 : G C3p_endo anti
+A4 : A C3p_endo anti
+A5 : G C3p_endo anti
+A6 : C C3p_endo anti
+A7 : U C3p_endo anti
+A8 : C C1p_exo anti
+A9 : A C3p_endo anti
+A10 : A C3p_endo anti
+A11 : C C3p_endo anti
+A12 : U C3p_endo anti
+A13 : C C2p_exo anti
+A14 : U C3p_endo anti
+A15 : C C3p_endo anti
+A16 : C C3p_endo anti
+A17 : C C3p_endo anti
+A18 : C C4p_exo anti
+A19 : C C3p_endo anti
+A20 : C C3p_endo anti
+A21 : C C3p_endo anti
+A22 : U C2p_endo anti
+A23 : U C3p_endo anti
+A24 : U C3p_endo anti
+A25 : U C3p_endo anti
+A26 : C C3p_endo anti
+A27 : C C3p_endo anti
+A28 : G C3p_endo anti
+A29 : A C3p_endo anti
+A30 : G C3p_endo anti
+A31 : G C3p_endo anti
+A32 : G C4p_exo anti
+A33 : U C2p_endo anti
+A34 : C C3p_endo anti
+A35 : A C2p_endo anti
+A36 : U C3p_endo anti
+A37 : C C4p_exo anti
+A38 : G C3p_endo anti
+A39 : G C3p_endo anti
+A40 : A C3p_endo anti
+A41 : A C3p_endo anti
+A42 : C C3p_endo anti
+A43 : C C3p_endo anti
+A44 : A O4p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward pairing 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A24-A25 : adjacent_5p upward 
+A25-A26 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+A28-A29 : adjacent_5p upward 
+A29-A30 : adjacent_5p upward 
+A30-A31 : adjacent_5p upward 
+A31-A32 : adjacent_5p upward 
+A36-A37 : adjacent_5p upward 
+A38-A39 : adjacent_5p upward 
+A39-A40 : adjacent_5p upward 
+A40-A41 : adjacent_5p upward 
+A42-A43 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A28-A38 : outward 
+Number of stackings = 26
+Number of adjacent stackings = 25
+Number of non adjacent stackings = 1
+Base-pairs ------------------------------------------------------
+A1-A2 : G-G O2'/Hh adjacent_5p upward pairing 
+A1-A17 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A16 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A15 : G-C Ww/Ww pairing antiparallel cis XIX 
+A4-A14 : A-U Ww/Ww pairing antiparallel cis XX 
+A5-A13 : G-C Ww/Ww pairing antiparallel cis XIX 
+A6-A10 : C-A Ws/Hw pairing antiparallel trans one_hbond 
+A7-A9 : U-A Hh/O2P pairing 
+A7-A10 : U-A Ww/O2P pairing 
+A18-A32 : C-G Ww/Ww pairing antiparallel cis XIX 
+A19-A31 : C-G Ww/Ww pairing antiparallel cis XIX 
+A20-A30 : C-G Ww/Ww pairing antiparallel cis XIX 
+A20-A35 : C-A Ws/Bs pairing parallel cis one_hbond 
+A21-A37 : C-C Ss/Hw O2'/Bh pairing parallel cis one_hbond 
+A22-A24 : U-U Hh/O2P pairing 
+A25-A40 : U-A Ww/Ww pairing antiparallel cis XX 
+A26-A39 : C-G Ww/Ww pairing antiparallel cis XIX 
+A27-A38 : C-G Ww/Ww pairing antiparallel cis XIX 
+A28-A37 : G-C Ww/Ww pairing antiparallel cis XIX 
+A29-A36 : A-U Ww/Ww pairing antiparallel cis XX 
+A32-A34 : G-C O2P/Bh pairing 
+A32-A35 : G-A O2'/Bh pairing 
+Residue conformations -------------------------------------------
+A1 : G C1p_exo anti
+A2 : G C3p_endo anti
+A3 : G C3p_endo anti
+A4 : A C3p_endo anti
+A5 : G C3p_endo anti
+A6 : C C3p_endo anti
+A7 : U C3p_endo anti
+A8 : C C1p_exo anti
+A9 : A C3p_endo anti
+A10 : A C3p_endo anti
+A11 : C C3p_endo anti
+A12 : U C3p_endo anti
+A13 : C C2p_exo anti
+A14 : U C3p_endo anti
+A15 : C C3p_endo anti
+A16 : C C3p_endo anti
+A17 : C C3p_endo anti
+A18 : C C3p_endo anti
+A19 : C C3p_endo anti
+A20 : C C3p_endo anti
+A21 : C C3p_endo anti
+A22 : U C2p_endo anti
+A23 : U C3p_endo anti
+A24 : U C3p_endo anti
+A25 : U C3p_endo anti
+A26 : C C3p_endo anti
+A27 : C C3p_endo anti
+A28 : G C3p_endo anti
+A29 : A C3p_endo anti
+A30 : G C3p_endo anti
+A31 : G C3p_endo anti
+A32 : G C4p_exo anti
+A33 : U C2p_endo anti
+A34 : C C3p_endo anti
+A35 : A C2p_endo anti
+A36 : U C3p_endo anti
+A37 : C C4p_exo anti
+A38 : G C3p_endo anti
+A39 : G C3p_endo anti
+A40 : A C3p_endo anti
+A41 : A C3p_endo anti
+A42 : C C3p_endo anti
+A43 : C C3p_endo anti
+A44 : A O4p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward pairing 
+A2-A3 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A25-A26 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+A27-A28 : adjacent_5p upward 
+A28-A29 : adjacent_5p upward 
+A29-A30 : adjacent_5p upward 
+A30-A31 : adjacent_5p upward 
+A31-A32 : adjacent_5p upward 
+A36-A37 : adjacent_5p upward 
+A38-A39 : adjacent_5p upward 
+A39-A40 : adjacent_5p upward 
+A40-A41 : adjacent_5p upward 
+A41-A42 : adjacent_5p upward 
+A42-A43 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A28-A38 : outward 
+Number of stackings = 26
+Number of adjacent stackings = 25
+Number of non adjacent stackings = 1
+Base-pairs ------------------------------------------------------
+A1-A2 : G-G O2'/Hh O2'/C8 adjacent_5p upward pairing 
+A1-A17 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A16 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A15 : G-C Ww/Ww pairing antiparallel cis XIX 
+A4-A14 : A-U Ww/Ww pairing antiparallel cis XX 
+A5-A13 : G-C Ww/Ww pairing antiparallel cis XIX 
+A6-A11 : C-C Ww/Bh pairing antiparallel trans one_hbond 
+A7-A9 : U-A Hh/O2P pairing 
+A18-A32 : C-G Ww/Ww pairing antiparallel cis XIX 
+A19-A31 : C-G Ww/Ww pairing antiparallel cis XIX 
+A20-A30 : C-G Ww/Ww pairing antiparallel cis XIX 
+A20-A35 : C-A Ws/Bs pairing parallel cis one_hbond 
+A21-A37 : C-C Ss/Hw O2'/Bh pairing parallel cis one_hbond 
+A25-A40 : U-A Ww/Ww pairing antiparallel cis XX 
+A26-A39 : C-G Ww/Ww pairing antiparallel cis XIX 
+A27-A38 : C-G Ww/Ww pairing antiparallel cis XIX 
+A28-A37 : G-C Ww/Ww pairing antiparallel cis XIX 
+A29-A36 : A-U Ww/Ww pairing antiparallel cis XX 
+A32-A34 : G-C O2P/Bh pairing 
+A32-A35 : G-A O2'/Bh pairing 
+Residue conformations -------------------------------------------
+A1 : G O4p_endo anti
+A2 : G C3p_endo anti
+A3 : G C3p_endo anti
+A4 : A C2p_exo anti
+A5 : G C3p_endo anti
+A6 : C C3p_endo anti
+A7 : U C3p_endo anti
+A8 : C C4p_exo anti
+A9 : A C3p_endo anti
+A10 : A C3p_endo anti
+A11 : C C3p_endo anti
+A12 : U C3p_endo anti
+A13 : C C2p_exo anti
+A14 : U C3p_endo anti
+A15 : C C3p_endo anti
+A16 : C C3p_endo anti
+A17 : C C3p_endo anti
+A18 : C C3p_endo anti
+A19 : C C3p_endo anti
+A20 : C C3p_endo anti
+A21 : C C3p_endo anti
+A22 : U C2p_endo anti
+A23 : U C3p_endo anti
+A24 : U C3p_endo anti
+A25 : U C3p_endo anti
+A26 : C C4p_exo anti
+A27 : C C3p_endo anti
+A28 : G C3p_endo anti
+A29 : A C3p_endo anti
+A30 : G C3p_endo anti
+A31 : G C3p_endo anti
+A32 : G C2p_exo anti
+A33 : U C2p_endo anti
+A34 : C C3p_endo anti
+A35 : A C1p_exo anti
+A36 : U C3p_endo anti
+A37 : C C3p_endo anti
+A38 : G C3p_endo anti
+A39 : G C4p_exo anti
+A40 : A C3p_endo anti
+A41 : A C3p_endo anti
+A42 : C C3p_endo anti
+A43 : C C3p_endo anti
+A44 : A O4p_endo anti
+Adjacent stackings ----------------------------------------------
+A2-A3 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+A23-A24 : adjacent_5p upward 
+A25-A26 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+A27-A28 : adjacent_5p upward 
+A28-A29 : adjacent_5p upward 
+A29-A30 : adjacent_5p upward 
+A30-A31 : adjacent_5p upward 
+A31-A32 : adjacent_5p upward 
+A36-A37 : adjacent_5p upward 
+A38-A39 : adjacent_5p upward 
+A40-A41 : adjacent_5p upward 
+A41-A42 : adjacent_5p upward 
+A42-A43 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A28-A38 : outward 
+Number of stackings = 27
+Number of adjacent stackings = 26
+Number of non adjacent stackings = 1
+Base-pairs ------------------------------------------------------
+A1-A2 : G-G O2'/Hh adjacent_5p pairing 
+A1-A17 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A16 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A15 : G-C Ww/Ww pairing antiparallel cis XIX 
+A4-A14 : A-U Ww/Ww pairing antiparallel cis XX 
+A5-A13 : G-C Ww/Ww pairing antiparallel cis XIX 
+A6-A11 : C-C Ww/Wh pairing antiparallel cis one_hbond 131 
+A7-A9 : U-A Hh/O2P pairing 
+A18-A32 : C-G Ww/Ww pairing antiparallel cis XIX 
+A19-A31 : C-G Ww/Ww pairing antiparallel cis XIX 
+A20-A30 : C-G Ww/Ww pairing antiparallel cis XIX 
+A20-A35 : C-A O2'/Ss pairing 
+A21-A37 : C-C Ss/Hw O2'/Bh pairing parallel cis one_hbond 
+A22-A24 : U-U Hh/O2P pairing 
+A22-A25 : U-U Ww/O2P pairing 
+A24-A41 : U-A Ws/Wh pairing antiparallel cis one_hbond 46 
+A25-A40 : U-A Ww/Ww pairing antiparallel cis XX 
+A26-A39 : C-G Ww/Ww pairing antiparallel cis XIX 
+A27-A38 : C-G Ww/Ww pairing antiparallel cis XIX 
+A28-A37 : G-C Ww/Ww pairing antiparallel cis XIX 
+A29-A36 : A-U Ww/Ww pairing antiparallel cis XX 
+A30-A35 : G-A Ws/Ww pairing antiparallel cis one_hbond 
+A39-A40 : G-A O2'/Hh adjacent_5p pairing 
+A43-A44 : C-A O2'/Hh adjacent_5p pairing 
+Residue conformations -------------------------------------------
+A1 : G C1p_exo anti
+A2 : G C3p_endo anti
+A3 : G C4p_exo anti
+A4 : A C2p_exo anti
+A5 : G C3p_endo anti
+A6 : C C3p_endo anti
+A7 : U C3p_endo anti
+A8 : C C2p_endo anti
+A9 : A C3p_endo anti
+A10 : A C3p_endo anti
+A11 : C C3p_endo anti
+A12 : U C3p_endo anti
+A13 : C C2p_exo anti
+A14 : U C3p_endo anti
+A15 : C C3p_endo anti
+A16 : C C3p_endo anti
+A17 : C C3p_endo anti
+A18 : C C3p_endo anti
+A19 : C C3p_endo anti
+A20 : C C3p_endo anti
+A21 : C C3p_endo anti
+A22 : U C2p_endo anti
+A23 : U C3p_endo anti
+A24 : U C3p_endo anti
+A25 : U C3p_endo anti
+A26 : C C3p_endo anti
+A27 : C C3p_endo anti
+A28 : G C3p_endo anti
+A29 : A C3p_endo anti
+A30 : G C3p_endo anti
+A31 : G C2p_exo anti
+A32 : G C4p_exo anti
+A33 : U C2p_endo anti
+A34 : C C3p_endo anti
+A35 : A C1p_exo anti
+A36 : U C3p_endo anti
+A37 : C C3p_endo anti
+A38 : G C3p_endo anti
+A39 : G C3p_endo anti
+A40 : A C3p_endo anti
+A41 : A C3p_endo anti
+A42 : C C3p_endo anti
+A43 : C C3p_endo anti
+A44 : A O4p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward pairing 
+A2-A3 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A25-A26 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+A27-A28 : adjacent_5p upward 
+A28-A29 : adjacent_5p upward 
+A29-A30 : adjacent_5p upward 
+A30-A31 : adjacent_5p upward 
+A31-A32 : adjacent_5p upward 
+A36-A37 : adjacent_5p upward 
+A38-A39 : adjacent_5p upward 
+A39-A40 : adjacent_5p upward 
+A41-A42 : adjacent_5p upward 
+A42-A43 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A28-A38 : outward 
+Number of stackings = 24
+Number of adjacent stackings = 23
+Number of non adjacent stackings = 1
+Base-pairs ------------------------------------------------------
+A1-A2 : G-G O2'/Hh adjacent_5p upward pairing 
+A1-A17 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A16 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A4 : G-A O2'/Hh adjacent_5p pairing 
+A3-A15 : G-C Ww/Ww pairing antiparallel cis XIX 
+A4-A14 : A-U Ww/Ww pairing antiparallel cis XX 
+A5-A13 : G-C Ww/Ww pairing antiparallel cis XIX 
+A6-A11 : C-C Ww/Bh pairing antiparallel trans 137 
+A7-A9 : U-A Hh/O2P pairing 
+A18-A32 : C-G Ww/Ww pairing antiparallel cis XIX 
+A19-A31 : C-G Ww/Ww pairing antiparallel cis XIX 
+A20-A30 : C-G Ww/Ww pairing antiparallel cis XIX 
+A20-A35 : C-A Ws/Bs pairing parallel cis one_hbond 
+A21-A37 : C-C Ss/Hw pairing parallel cis one_hbond 
+A25-A40 : U-A Ww/Ww pairing antiparallel cis XX 
+A26-A39 : C-G Ww/Ww pairing antiparallel cis XIX 
+A27-A38 : C-G Ww/Ww pairing antiparallel cis XIX 
+A28-A37 : G-C Ww/Ww pairing antiparallel cis XIX 
+A29-A36 : A-U Ww/Ww pairing antiparallel cis XX 
+A32-A35 : G-A O2'/Bh pairing 
+Residue conformations -------------------------------------------
+A1 : G C2p_exo anti
+A2 : G C4p_exo anti
+A3 : G C3p_endo anti
+A4 : A C3p_endo anti
+A5 : G C3p_endo anti
+A6 : C C3p_endo anti
+A7 : U C3p_endo anti
+A8 : C O4p_endo anti
+A9 : A C3p_endo anti
+A10 : A C3p_endo anti
+A11 : C C3p_endo anti
+A12 : U C3p_endo anti
+A13 : C C2p_exo anti
+A14 : U C3p_endo anti
+A15 : C C3p_endo anti
+A16 : C C3p_endo anti
+A17 : C C3p_endo anti
+A18 : C C3p_endo anti
+A19 : C C3p_endo anti
+A20 : C C3p_endo anti
+A21 : C C3p_endo anti
+A22 : U C2p_endo anti
+A23 : U C3p_endo anti
+A24 : U C3p_endo anti
+A25 : U C3p_endo anti
+A26 : C C4p_exo anti
+A27 : C C3p_endo anti
+A28 : G C3p_endo anti
+A29 : A C3p_endo anti
+A30 : G C3p_endo anti
+A31 : G C3p_endo anti
+A32 : G C4p_exo anti
+A33 : U C2p_endo anti
+A34 : C C3p_endo anti
+A35 : A C2p_endo anti
+A36 : U C3p_endo anti
+A37 : C C4p_exo anti
+A38 : G C3p_endo anti
+A39 : G C4p_exo anti
+A40 : A C2p_exo anti
+A41 : A C3p_endo anti
+A42 : C C3p_endo anti
+A43 : C C3p_endo anti
+A44 : A O4p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A24-A25 : adjacent_5p upward 
+A25-A26 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+A27-A28 : adjacent_5p upward 
+A28-A29 : adjacent_5p upward 
+A29-A30 : adjacent_5p upward 
+A30-A31 : adjacent_5p upward 
+A31-A32 : adjacent_5p upward 
+A36-A37 : adjacent_5p upward 
+A38-A39 : adjacent_5p upward 
+A40-A41 : adjacent_5p upward 
+A41-A42 : adjacent_5p upward 
+A42-A43 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A28-A38 : outward 
+Number of stackings = 24
+Number of adjacent stackings = 23
+Number of non adjacent stackings = 1
+Base-pairs ------------------------------------------------------
+A1-A17 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A16 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A15 : G-C Ww/Ww pairing antiparallel cis XIX 
+A4-A14 : A-U Ww/Ww pairing antiparallel cis XX 
+A5-A13 : G-C Ww/Ww pairing antiparallel cis XIX 
+A6-A11 : C-C Ww/Wh pairing antiparallel cis one_hbond 131 
+A7-A9 : U-A Hh/O2P pairing 
+A18-A32 : C-G Ww/Ww pairing antiparallel cis XIX 
+A19-A31 : C-G Ww/Ww pairing antiparallel cis XIX 
+A20-A30 : C-G Ww/Ww pairing antiparallel cis XIX 
+A20-A35 : C-A Ws/Bs pairing parallel cis one_hbond 
+A21-A37 : C-C Ss/Hw pairing parallel cis one_hbond 
+A22-A24 : U-U Hh/O2P pairing 
+A24-A41 : U-A Ws/Wh pairing antiparallel trans one_hbond 46 
+A25-A40 : U-A Ww/Ww pairing antiparallel cis XX 
+A26-A39 : C-G Ww/Ww pairing antiparallel cis XIX 
+A27-A38 : C-G Ww/Ww pairing antiparallel cis XIX 
+A28-A37 : G-C Ww/Ww pairing antiparallel cis XIX 
+A29-A36 : A-U Ww/Ww pairing antiparallel cis XX 
+A32-A35 : G-A O2'/Bh pairing 
+A39-A40 : G-A O2'/Hh adjacent_5p pairing 
+Residue conformations -------------------------------------------
+A1 : G C1p_exo anti
+A2 : G C3p_endo anti
+A3 : G C3p_endo anti
+A4 : A C3p_endo anti
+A5 : G C3p_endo anti
+A6 : C C3p_endo anti
+A7 : U C3p_endo anti
+A8 : C C1p_exo anti
+A9 : A C3p_endo anti
+A10 : A C3p_endo anti
+A11 : C C3p_endo anti
+A12 : U C3p_endo anti
+A13 : C C2p_exo anti
+A14 : U C3p_endo anti
+A15 : C C3p_endo anti
+A16 : C C3p_endo anti
+A17 : C C3p_endo anti
+A18 : C C3p_endo anti
+A19 : C C3p_endo anti
+A20 : C C3p_endo anti
+A21 : C C3p_endo anti
+A22 : U C2p_endo anti
+A23 : U C3p_endo anti
+A24 : U C2p_exo anti
+A25 : U C3p_endo anti
+A26 : C C3p_endo anti
+A27 : C C3p_endo anti
+A28 : G C3p_endo anti
+A29 : A C3p_endo anti
+A30 : G C3p_endo anti
+A31 : G C3p_endo anti
+A32 : G C4p_exo anti
+A33 : U C2p_endo anti
+A34 : C C2p_exo anti
+A35 : A C1p_exo anti
+A36 : U C3p_endo anti
+A37 : C C3p_endo anti
+A38 : G C3p_endo anti
+A39 : G C4p_exo anti
+A40 : A C3p_endo anti
+A41 : A C3p_endo anti
+A42 : C C3p_endo anti
+A43 : C C3p_endo anti
+A44 : A O4p_endo anti
+Adjacent stackings ----------------------------------------------
+A2-A3 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+A25-A26 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+A28-A29 : adjacent_5p upward 
+A29-A30 : adjacent_5p upward 
+A30-A31 : adjacent_5p upward 
+A31-A32 : adjacent_5p upward 
+A36-A37 : adjacent_5p upward 
+A38-A39 : adjacent_5p upward 
+A40-A41 : adjacent_5p upward 
+A41-A42 : adjacent_5p upward 
+A42-A43 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A28-A38 : outward 
+Number of stackings = 25
+Number of adjacent stackings = 24
+Number of non adjacent stackings = 1
+Base-pairs ------------------------------------------------------
+A1-A2 : G-G O2'/Hh adjacent_5p pairing 
+A1-A17 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A16 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A15 : G-C Ww/Ww pairing antiparallel cis XIX 
+A4-A14 : A-U Ww/Ww pairing antiparallel cis XX 
+A5-A13 : G-C Ww/Ww pairing antiparallel cis XIX 
+A6-A11 : C-C Ww/Bh pairing antiparallel cis one_hbond 131 
+A7-A9 : U-A Hh/O2P pairing 
+A18-A32 : C-G Ww/Ww pairing antiparallel cis XIX 
+A19-A31 : C-G Ww/Ww pairing antiparallel cis XIX 
+A20-A30 : C-G Ww/Ww pairing antiparallel cis XIX 
+A20-A35 : C-A Ws/Bs pairing parallel cis one_hbond 
+A21-A37 : C-C Ss/Hw O2'/Bh pairing parallel cis one_hbond 
+A22-A24 : U-U Hh/O2P pairing 
+A24-A41 : U-A Ws/Wh pairing antiparallel trans one_hbond 46 
+A25-A40 : U-A Ww/Ww pairing antiparallel cis XX 
+A26-A39 : C-G Ww/Ww pairing antiparallel cis XIX 
+A27-A38 : C-G Ww/Ww pairing antiparallel cis XIX 
+A28-A37 : G-C Ww/Ww pairing antiparallel cis XIX 
+A29-A36 : A-U Ww/Ww pairing antiparallel cis XX 
+A30-A35 : G-A Ws/Ww pairing antiparallel cis one_hbond 
+A32-A35 : G-A O2'/Bh pairing 
+A39-A40 : G-A O2'/Hh adjacent_5p pairing 
+Residue conformations -------------------------------------------
+A1 : G C1p_exo anti
+A2 : G C3p_endo anti
+A3 : G C4p_exo anti
+A4 : A C2p_exo anti
+A5 : G C3p_endo anti
+A6 : C C3p_endo anti
+A7 : U C3p_endo anti
+A8 : C C2p_endo anti
+A9 : A C3p_endo anti
+A10 : A C3p_endo anti
+A11 : C C3p_endo anti
+A12 : U C3p_endo anti
+A13 : C C2p_exo anti
+A14 : U C3p_endo anti
+A15 : C C3p_endo anti
+A16 : C C3p_endo anti
+A17 : C C3p_endo anti
+A18 : C C3p_endo anti
+A19 : C C3p_endo anti
+A20 : C C3p_endo anti
+A21 : C C3p_endo anti
+A22 : U C2p_endo anti
+A23 : U C3p_endo anti
+A24 : U C2p_exo anti
+A25 : U C3p_endo anti
+A26 : C C3p_endo anti
+A27 : C C3p_endo anti
+A28 : G C3p_endo anti
+A29 : A C3p_endo anti
+A30 : G C2p_exo anti
+A31 : G C3p_endo anti
+A32 : G C4p_exo anti
+A33 : U C2p_endo anti
+A34 : C C3p_endo anti
+A35 : A C1p_exo anti
+A36 : U C3p_endo anti
+A37 : C C4p_exo anti
+A38 : G C3p_endo anti
+A39 : G C3p_endo anti
+A40 : A C3p_endo anti
+A41 : A C3p_endo anti
+A42 : C C3p_endo anti
+A43 : C C3p_endo anti
+A44 : A O4p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward pairing 
+A2-A3 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A25-A26 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+A28-A29 : adjacent_5p upward 
+A29-A30 : adjacent_5p upward 
+A30-A31 : adjacent_5p upward 
+A31-A32 : adjacent_5p upward 
+A36-A37 : adjacent_5p upward 
+A38-A39 : adjacent_5p upward 
+A39-A40 : adjacent_5p upward 
+A40-A41 : adjacent_5p upward 
+A42-A43 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A28-A38 : outward 
+Number of stackings = 23
+Number of adjacent stackings = 22
+Number of non adjacent stackings = 1
+Base-pairs ------------------------------------------------------
+A1-A2 : G-G O2'/Hh adjacent_5p upward pairing 
+A1-A17 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A16 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A4 : G-A O2'/Hh adjacent_5p pairing 
+A3-A15 : G-C Ww/Ww pairing antiparallel cis XIX 
+A4-A14 : A-U Ww/Ww pairing antiparallel cis XX 
+A5-A13 : G-C Ww/Ww pairing antiparallel cis XIX 
+A6-A11 : C-C Ww/Wh pairing antiparallel cis one_hbond 131 
+A7-A9 : U-A Hh/O2P pairing 
+A18-A32 : C-G Ww/Ww pairing antiparallel cis XIX 
+A19-A31 : C-G Ww/Ww pairing antiparallel cis XIX 
+A20-A30 : C-G Ww/Ww pairing antiparallel cis XIX 
+A20-A35 : C-A Ws/Bs pairing parallel cis one_hbond 
+A21-A37 : C-C Ss/Bh O2'/Bh pairing parallel trans one_hbond 
+A25-A40 : U-A Ww/Ww pairing antiparallel cis XX 
+A26-A39 : C-G Ww/Ww pairing antiparallel cis XIX 
+A27-A38 : C-G Ww/Ww pairing antiparallel cis XIX 
+A28-A37 : G-C Ww/Ww pairing antiparallel cis XIX 
+A29-A36 : A-U Ww/Ww pairing antiparallel cis XX 
+A32-A35 : G-A O2'/Bh pairing 
+A43-A44 : C-A O2'/Hh adjacent_5p pairing 
+Residue conformations -------------------------------------------
+A1 : G C1p_exo anti
+A2 : G C3p_endo anti
+A3 : G C4p_exo anti
+A4 : A C2p_exo anti
+A5 : G C3p_endo anti
+A6 : C C3p_endo anti
+A7 : U C3p_endo anti
+A8 : C C4p_exo anti
+A9 : A C3p_endo anti
+A10 : A C3p_endo anti
+A11 : C C3p_endo anti
+A12 : U C3p_endo anti
+A13 : C C2p_exo anti
+A14 : U C3p_endo anti
+A15 : C C3p_endo anti
+A16 : C C3p_endo anti
+A17 : C C3p_endo anti
+A18 : C C3p_endo anti
+A19 : C C3p_endo anti
+A20 : C C3p_endo anti
+A21 : C C3p_endo anti
+A22 : U C2p_endo anti
+A23 : U C3p_endo anti
+A24 : U C3p_endo anti
+A25 : U C3p_endo anti
+A26 : C C3p_endo anti
+A27 : C C3p_endo anti
+A28 : G C3p_endo anti
+A29 : A C3p_endo anti
+A30 : G C3p_endo anti
+A31 : G C3p_endo anti
+A32 : G C4p_exo anti
+A33 : U C2p_endo anti
+A34 : C C3p_endo anti
+A35 : A C2p_endo anti
+A36 : U C3p_endo anti
+A37 : C C4p_exo anti
+A38 : G C2p_exo anti
+A39 : G C3p_endo anti
+A40 : A C2p_exo anti
+A41 : A C3p_endo anti
+A42 : C C3p_endo anti
+A43 : C C3p_endo anti
+A44 : A O4p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward pairing 
+A2-A3 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A23-A24 : adjacent_5p upward 
+A24-A25 : adjacent_5p upward 
+A25-A26 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+A28-A29 : adjacent_5p upward 
+A29-A30 : adjacent_5p upward 
+A30-A31 : adjacent_5p upward 
+A31-A32 : adjacent_5p upward 
+A36-A37 : adjacent_5p upward 
+A38-A39 : adjacent_5p upward 
+A39-A40 : adjacent_5p upward 
+A40-A41 : adjacent_5p upward 
+A41-A42 : adjacent_5p upward 
+A42-A43 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 25
+Number of adjacent stackings = 25
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A1-A2 : G-G O2'/Hh adjacent_5p upward pairing 
+A1-A17 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A16 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A4 : G-A O2'/Hh adjacent_5p pairing 
+A3-A15 : G-C Ww/Ww pairing antiparallel cis XIX 
+A4-A14 : A-U Ww/Ww pairing antiparallel cis XX 
+A5-A13 : G-C Ww/Ww pairing antiparallel cis XIX 
+A6-A11 : C-C Ww/Bh pairing antiparallel cis 137 
+A7-A9 : U-A Hh/O2P pairing 
+A18-A32 : C-G Ww/Ww pairing antiparallel cis XIX 
+A19-A31 : C-G Ww/Ww pairing antiparallel cis XIX 
+A20-A30 : C-G Ww/Ww pairing antiparallel cis XIX 
+A20-A35 : C-A Ws/Bs pairing parallel cis one_hbond 
+A21-A37 : C-C Ss/Bh O2'/Bh pairing parallel trans one_hbond 
+A24-A41 : U-A Ww/Ww pairing antiparallel cis XX 
+A25-A40 : U-A Ww/Ww pairing antiparallel cis XX 
+A26-A39 : C-G Ww/Ww pairing antiparallel cis XIX 
+A27-A38 : C-G Ww/Ww pairing antiparallel cis XIX 
+A28-A37 : G-C Ww/Ww pairing antiparallel cis XIX 
+A29-A36 : A-U Ww/Ww pairing antiparallel cis XX 
+A32-A35 : G-A O2'/Bh pairing 
+Residue conformations -------------------------------------------
+A1 : G O4p_endo anti
+A2 : G C3p_endo anti
+A3 : G C3p_endo anti
+A4 : A C2p_exo anti
+A5 : G C3p_endo anti
+A6 : C C3p_endo anti
+A7 : U C3p_endo anti
+A8 : C C1p_exo anti
+A9 : A C3p_endo anti
+A10 : A C3p_endo anti
+A11 : C C3p_endo anti
+A12 : U C3p_endo anti
+A13 : C C2p_exo anti
+A14 : U C3p_endo anti
+A15 : C C3p_endo anti
+A16 : C C3p_endo anti
+A17 : C C3p_endo anti
+A18 : C C3p_endo anti
+A19 : C C3p_endo anti
+A20 : C C4p_exo anti
+A21 : C C3p_endo anti
+A22 : U C2p_endo anti
+A23 : U C3p_endo anti
+A24 : U C3p_endo anti
+A25 : U C3p_endo anti
+A26 : C C3p_endo anti
+A27 : C C3p_endo anti
+A28 : G C3p_endo anti
+A29 : A C3p_endo anti
+A30 : G C3p_endo anti
+A31 : G C2p_exo anti
+A32 : G C4p_exo anti
+A33 : U C2p_endo anti
+A34 : C C3p_endo anti
+A35 : A C2p_endo anti
+A36 : U C3p_endo anti
+A37 : C C4p_exo anti
+A38 : G C3p_endo anti
+A39 : G C3p_endo anti
+A40 : A C3p_endo anti
+A41 : A C3p_endo anti
+A42 : C C3p_endo anti
+A43 : C C3p_endo anti
+A44 : A O4p_endo anti
+Adjacent stackings ----------------------------------------------
+A2-A3 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+A24-A25 : adjacent_5p upward 
+A25-A26 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+A28-A29 : adjacent_5p upward 
+A29-A30 : adjacent_5p upward 
+A30-A31 : adjacent_5p upward 
+A31-A32 : adjacent_5p upward 
+A36-A37 : adjacent_5p upward 
+A38-A39 : adjacent_5p upward 
+A39-A40 : adjacent_5p upward 
+A40-A41 : adjacent_5p upward 
+A42-A43 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A28-A38 : outward 
+Number of stackings = 25
+Number of adjacent stackings = 24
+Number of non adjacent stackings = 1
+Base-pairs ------------------------------------------------------
+A1-A2 : G-G O2'/Hh adjacent_5p pairing 
+A1-A17 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A16 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A15 : G-C Ww/Ww pairing antiparallel cis XIX 
+A4-A14 : A-U Ww/Ww pairing antiparallel cis XX 
+A5-A13 : G-C Ww/Ww pairing antiparallel cis XIX 
+A6-A11 : C-C Ww/Bh pairing antiparallel trans one_hbond 
+A7-A9 : U-A Hh/O2P pairing 
+A18-A32 : C-G Ww/Ww pairing antiparallel cis XIX 
+A19-A31 : C-G Ww/Ww pairing antiparallel cis XIX 
+A20-A30 : C-G Ww/Ww pairing antiparallel cis XIX 
+A20-A35 : C-A Ws/Bs pairing parallel cis one_hbond 
+A21-A37 : C-C Ss/Hw pairing parallel cis one_hbond 
+A22-A24 : U-U Hh/O2P pairing 
+A24-A41 : U-A Ww/Ww pairing antiparallel cis one_hbond 
+A25-A40 : U-A Ww/Ww pairing antiparallel cis XX 
+A26-A39 : C-G Ww/Ww pairing antiparallel cis XIX 
+A27-A38 : C-G Ww/Ww pairing antiparallel cis XIX 
+A28-A37 : G-C Ww/Ww pairing antiparallel cis XIX 
+A29-A36 : A-U Ww/Ww pairing antiparallel cis XX 
+A32-A35 : G-A O2'/Bh pairing 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C4p_exo anti
+A3 : G C4p_exo anti
+A4 : A C3p_endo anti
+A5 : G C3p_endo anti
+A6 : C C3p_endo anti
+A7 : U C3p_endo anti
+A8 : C C3p_endo anti
+A9 : A C3p_endo anti
+A10 : A C3p_endo anti
+A11 : C C3p_endo anti
+A12 : U C3p_endo anti
+A13 : C C2p_exo anti
+A14 : U C3p_endo anti
+A15 : C C3p_endo anti
+A16 : C C3p_endo anti
+A17 : C C3p_endo anti
+A18 : C C3p_endo anti
+A19 : C C3p_endo anti
+A20 : C C3p_endo anti
+A21 : C C4p_exo anti
+A22 : U C2p_endo anti
+A23 : U C3p_endo anti
+A24 : U C4p_exo anti
+A25 : U C3p_endo anti
+A26 : C C3p_endo anti
+A27 : C C3p_endo anti
+A28 : G C3p_endo anti
+A29 : A C3p_endo anti
+A30 : G C3p_endo anti
+A31 : G C4p_exo anti
+A32 : G C3p_endo anti
+A33 : U C2p_endo anti
+A34 : C C3p_endo anti
+A35 : A C2p_endo anti
+A36 : U C3p_endo anti
+A37 : C C3p_endo anti
+A38 : G C3p_endo anti
+A39 : G C4p_exo anti
+A40 : A C2p_exo anti
+A41 : A C3p_endo anti
+A42 : C C3p_endo anti
+A43 : C C3p_endo anti
+A44 : A O4p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A23-A24 : adjacent_5p upward 
+A25-A26 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+A27-A28 : adjacent_5p upward 
+A28-A29 : adjacent_5p upward 
+A29-A30 : adjacent_5p upward 
+A30-A31 : adjacent_5p upward 
+A36-A37 : adjacent_5p upward 
+A38-A39 : adjacent_5p upward 
+A40-A41 : adjacent_5p upward 
+A41-A42 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A28-A38 : outward 
+Number of stackings = 22
+Number of adjacent stackings = 21
+Number of non adjacent stackings = 1
+Base-pairs ------------------------------------------------------
+A1-A17 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A3 : G-G O2'/C8 adjacent_5p pairing 
+A2-A16 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A15 : G-C Ww/Ww pairing antiparallel cis XIX 
+A4-A14 : A-U Ww/Ww pairing antiparallel cis XX 
+A5-A13 : G-C Ww/Ww pairing antiparallel cis XIX 
+A7-A9 : U-A Hh/O2P Ww/O2P pairing 
+A18-A32 : C-G Ww/Ww pairing antiparallel cis XIX 
+A19-A31 : C-G Ww/Ww pairing antiparallel cis XIX 
+A20-A30 : C-G Ww/Ww pairing antiparallel cis XIX 
+A21-A37 : C-C O2'/Bh pairing 
+A24-A41 : U-A Ww/Ww pairing antiparallel cis XX 
+A25-A40 : U-A Ww/Ww pairing antiparallel cis XX 
+A26-A39 : C-G Ww/Ww pairing antiparallel cis XIX 
+A27-A38 : C-G Ww/Ww pairing antiparallel cis XIX 
+A28-A37 : G-C Ww/Ww pairing antiparallel cis XIX 
+A29-A36 : A-U Ww/Ww pairing antiparallel cis XX 
+A39-A40 : G-A O2'/Hh adjacent_5p pairing 
+Residue conformations -------------------------------------------
+A1 : G O4p_endo anti
+A2 : G C3p_endo anti
+A3 : G C3p_endo anti
+A4 : A C3p_endo anti
+A5 : G C3p_endo anti
+A6 : C C3p_endo anti
+A7 : U C3p_endo anti
+A8 : C O4p_endo anti
+A9 : A C3p_endo anti
+A10 : A C3p_endo anti
+A11 : C C2p_exo anti
+A12 : U C3p_endo anti
+A13 : C C2p_exo anti
+A14 : U C3p_endo anti
+A15 : C C3p_endo anti
+A16 : C C3p_endo anti
+A17 : C C3p_endo anti
+A18 : C C3p_endo anti
+A19 : C C3p_endo anti
+A20 : C C3p_endo anti
+A21 : C C3p_endo anti
+A22 : U C2p_endo anti
+A23 : U C3p_endo anti
+A24 : U C3p_endo anti
+A25 : U C3p_endo anti
+A26 : C C4p_exo anti
+A27 : C C3p_endo anti
+A28 : G C3p_endo anti
+A29 : A C3p_endo anti
+A30 : G C3p_endo anti
+A31 : G C2p_exo anti
+A32 : G C4p_exo anti
+A33 : U C2p_endo anti
+A34 : C C3p_endo anti
+A35 : A C2p_endo anti
+A36 : U C3p_endo anti
+A37 : C C4p_exo anti
+A38 : G C3p_endo anti
+A39 : G C4p_exo anti
+A40 : A C2p_exo anti
+A41 : A C3p_endo anti
+A42 : C C3p_endo anti
+A43 : C C3p_endo anti
+A44 : A O4p_endo anti
+Adjacent stackings ----------------------------------------------
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+A23-A24 : adjacent_5p upward 
+A25-A26 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+A28-A29 : adjacent_5p upward 
+A29-A30 : adjacent_5p upward 
+A30-A31 : adjacent_5p upward 
+A31-A32 : adjacent_5p upward 
+A36-A37 : adjacent_5p upward 
+A38-A39 : adjacent_5p upward 
+A40-A41 : adjacent_5p upward 
+A41-A42 : adjacent_5p upward 
+A42-A43 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A28-A38 : outward 
+Number of stackings = 22
+Number of adjacent stackings = 21
+Number of non adjacent stackings = 1
+Base-pairs ------------------------------------------------------
+A1-A2 : G-G O2'/Hh adjacent_5p pairing 
+A1-A17 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A16 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A15 : G-C Ww/Ww pairing antiparallel cis XIX 
+A4-A14 : A-U Ww/Ww pairing antiparallel cis XX 
+A5-A13 : G-C Ww/Ww pairing antiparallel cis XIX 
+A6-A10 : C-A Bh/O2P Bh/O2P pairing 
+A7-A9 : U-A Hh/O2P pairing 
+A7-A10 : U-A Ww/O2P pairing 
+A8-A9 : C-A O2'/Hh adjacent_5p pairing 
+A18-A32 : C-G Ww/Ww pairing antiparallel cis XIX 
+A19-A31 : C-G Ww/Ww pairing antiparallel cis XIX 
+A20-A30 : C-G Ww/Ww pairing antiparallel cis XIX 
+A20-A35 : C-A Ws/Bs pairing parallel cis one_hbond 
+A21-A37 : C-C Ss/Hw pairing parallel cis one_hbond 
+A25-A40 : U-A Ww/Ww pairing antiparallel cis XX 
+A26-A39 : C-G Ww/Ww pairing antiparallel cis XIX 
+A27-A38 : C-G Ww/Ww pairing antiparallel cis XIX 
+A28-A37 : G-C Ww/Ww pairing antiparallel cis XIX 
+A29-A36 : A-U Ww/Ww pairing antiparallel cis XX 
+A30-A35 : G-A Ws/Ww pairing antiparallel cis one_hbond 
+A39-A40 : G-A O2'/Hh adjacent_5p pairing 
+A43-A44 : C-A O2'/Hh adjacent_5p pairing 
+Residue conformations -------------------------------------------
+A1 : G O4p_endo anti
+A2 : G C3p_endo anti
+A3 : G C3p_endo anti
+A4 : A C3p_endo anti
+A5 : G C3p_endo anti
+A6 : C C3p_endo anti
+A7 : U C3p_endo anti
+A8 : C C1p_exo anti
+A9 : A C3p_endo anti
+A10 : A C3p_endo anti
+A11 : C C3p_endo anti
+A12 : U C3p_endo anti
+A13 : C C2p_exo anti
+A14 : U C3p_endo anti
+A15 : C C3p_endo anti
+A16 : C C3p_endo anti
+A17 : C C3p_endo anti
+A18 : C C3p_endo anti
+A19 : C C3p_endo anti
+A20 : C C3p_endo anti
+A21 : C C3p_endo anti
+A22 : U C2p_endo anti
+A23 : U C3p_endo anti
+A24 : U C3p_endo anti
+A25 : U C3p_endo anti
+A26 : C C3p_endo anti
+A27 : C C3p_endo anti
+A28 : G C2p_exo anti
+A29 : A C3p_endo anti
+A30 : G C3p_endo anti
+A31 : G C4p_exo anti
+A32 : G C3p_endo anti
+A33 : U C2p_endo anti
+A34 : C C3p_endo anti
+A35 : A C1p_exo anti
+A36 : U C3p_endo anti
+A37 : C C3p_endo anti
+A38 : G C2p_exo anti
+A39 : G C3p_endo anti
+A40 : A C3p_endo anti
+A41 : A C3p_endo anti
+A42 : C C3p_endo anti
+A43 : C C3p_endo anti
+A44 : A O4p_endo anti
+Adjacent stackings ----------------------------------------------
+A2-A3 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A24-A25 : adjacent_5p upward 
+A25-A26 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+A28-A29 : adjacent_5p upward 
+A29-A30 : adjacent_5p upward 
+A30-A31 : adjacent_5p upward 
+A36-A37 : adjacent_5p upward 
+A38-A39 : adjacent_5p upward 
+A39-A40 : adjacent_5p upward 
+A40-A41 : adjacent_5p upward 
+A42-A43 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A28-A38 : outward 
+Number of stackings = 23
+Number of adjacent stackings = 22
+Number of non adjacent stackings = 1
+Base-pairs ------------------------------------------------------
+A1-A2 : G-G O2'/Hh adjacent_5p pairing 
+A1-A17 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A16 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A15 : G-C Ww/Ww pairing antiparallel cis XIX 
+A4-A14 : A-U Ww/Ww pairing antiparallel cis XX 
+A5-A13 : G-C Ww/Ww pairing antiparallel cis XIX 
+A7-A9 : U-A Hh/O2P pairing 
+A18-A32 : C-G Ww/Ww pairing antiparallel cis XIX 
+A19-A31 : C-G Ww/Ww pairing antiparallel cis XIX 
+A20-A30 : C-G Ww/Ww pairing antiparallel cis XIX 
+A20-A35 : C-A Ws/Bs O2'/Ss pairing parallel cis one_hbond 
+A21-A27 : C-C Ws/Wh pairing antiparallel trans one_hbond 137 
+A24-A41 : U-A Ww/Ww pairing antiparallel cis XX 
+A25-A40 : U-A Ww/Ww pairing antiparallel cis XX 
+A26-A39 : C-G Ww/Ww pairing antiparallel cis XIX 
+A27-A38 : C-G Ww/Ww pairing antiparallel cis XIX 
+A28-A37 : G-C Ww/Ww pairing antiparallel cis XIX 
+A29-A36 : A-U Ww/Ww pairing antiparallel cis XX 
+A30-A35 : G-A Ws/Ww pairing antiparallel cis one_hbond 
+A32-A34 : G-C O2P/Bh pairing 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C2p_exo anti
+A3 : G C3p_endo anti
+A4 : A C2p_exo anti
+A5 : G C3p_endo anti
+A6 : C C3p_endo anti
+A7 : U C3p_endo anti
+A8 : C C1p_exo anti
+A9 : A C3p_endo anti
+A10 : A C3p_endo anti
+A11 : C C2p_exo anti
+A12 : U C3p_endo anti
+A13 : C C2p_exo anti
+A14 : U C3p_endo anti
+A15 : C C3p_endo anti
+A16 : C C4p_exo anti
+A17 : C C3p_endo anti
+A18 : C C3p_endo anti
+A19 : C C3p_endo anti
+A20 : C C3p_endo anti
+A21 : C C3p_endo anti
+A22 : U C2p_endo anti
+A23 : U C3p_endo anti
+A24 : U C3p_endo anti
+A25 : U C3p_endo anti
+A26 : C C3p_endo anti
+A27 : C C3p_endo anti
+A28 : G C3p_endo anti
+A29 : A C3p_endo anti
+A30 : G C3p_endo anti
+A31 : G C3p_endo anti
+A32 : G C4p_exo anti
+A33 : U C2p_endo anti
+A34 : C C3p_endo anti
+A35 : A C2p_endo anti
+A36 : U C3p_endo anti
+A37 : C C4p_exo anti
+A38 : G C3p_endo anti
+A39 : G C3p_endo anti
+A40 : A C3p_endo anti
+A41 : A C3p_endo anti
+A42 : C C3p_endo anti
+A43 : C C3p_endo anti
+A44 : A O4p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward pairing 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward pairing 
+A19-A20 : adjacent_5p upward 
+A24-A25 : adjacent_5p upward 
+A25-A26 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+A27-A28 : adjacent_5p upward 
+A28-A29 : adjacent_5p upward 
+A29-A30 : adjacent_5p upward 
+A30-A31 : adjacent_5p upward 
+A31-A32 : adjacent_5p upward 
+A36-A37 : adjacent_5p upward 
+A38-A39 : adjacent_5p upward 
+A39-A40 : adjacent_5p upward 
+A40-A41 : adjacent_5p upward 
+A41-A42 : adjacent_5p upward 
+A42-A43 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A28-A38 : outward 
+Number of stackings = 24
+Number of adjacent stackings = 23
+Number of non adjacent stackings = 1
+Base-pairs ------------------------------------------------------
+A1-A2 : G-G O2'/Hh O2'/C8 adjacent_5p upward pairing 
+A1-A17 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A16 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A15 : G-C Ww/Ww pairing antiparallel cis XIX 
+A4-A14 : A-U Ww/Ww pairing antiparallel cis XX 
+A5-A13 : G-C Ww/Ww pairing antiparallel cis XIX 
+A7-A10 : U-A Ww/O2P pairing 
+A16-A17 : C-C O2'/Hh adjacent_5p pairing 
+A17-A18 : C-C O2P/Bh adjacent_5p upward pairing 
+A18-A32 : C-G Ww/Ww pairing antiparallel cis XIX 
+A19-A31 : C-G Ww/Ww pairing antiparallel cis XIX 
+A20-A30 : C-G Ww/Ww pairing antiparallel cis XIX 
+A20-A35 : C-A Ws/Bs pairing parallel cis one_hbond 
+A21-A22 : C-U O2'/Hh adjacent_5p pairing 
+A21-A37 : C-C Ss/Hw O2'/Bh pairing parallel cis one_hbond 
+A24-A41 : U-A Ww/Ww pairing antiparallel cis one_hbond 
+A25-A40 : U-A Ww/Ww pairing antiparallel cis XX 
+A26-A39 : C-G Ww/Ww pairing antiparallel cis XIX 
+A27-A38 : C-G Ww/Ww pairing antiparallel cis XIX 
+A28-A37 : G-C Ww/Ww pairing antiparallel cis XIX 
+A29-A36 : A-U Ww/Ww pairing antiparallel cis XX 
+Residue conformations -------------------------------------------
+A1 : G C1p_exo anti
+A2 : G C3p_endo anti
+A3 : G C3p_endo anti
+A4 : A C3p_endo anti
+A5 : G C3p_endo anti
+A6 : C C3p_endo anti
+A7 : U C3p_endo anti
+A8 : C C2p_endo anti
+A9 : A C3p_endo anti
+A10 : A C3p_endo anti
+A11 : C C3p_endo anti
+A12 : U C3p_endo anti
+A13 : C C2p_exo anti
+A14 : U C3p_endo anti
+A15 : C C3p_endo anti
+A16 : C C3p_endo anti
+A17 : C C3p_endo anti
+A18 : C C4p_exo anti
+A19 : C C3p_endo anti
+A20 : C C3p_endo anti
+A21 : C C3p_endo anti
+A22 : U C2p_endo anti
+A23 : U C3p_endo anti
+A24 : U C3p_endo anti
+A25 : U C3p_endo anti
+A26 : C C4p_exo anti
+A27 : C C3p_endo anti
+A28 : G C3p_endo anti
+A29 : A C3p_endo anti
+A30 : G C3p_endo anti
+A31 : G C3p_endo anti
+A32 : G C4p_exo anti
+A33 : U C2p_endo anti
+A34 : C C3p_endo anti
+A35 : A C2p_endo anti
+A36 : U C3p_endo anti
+A37 : C C4p_exo anti
+A38 : G C3p_endo anti
+A39 : G C4p_exo anti
+A40 : A C2p_exo anti
+A41 : A C3p_endo anti
+A42 : C C3p_endo anti
+A43 : C C3p_endo anti
+A44 : A O4p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward pairing 
+A2-A3 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A25-A26 : adjacent_5p upward 
+A28-A29 : adjacent_5p upward 
+A29-A30 : adjacent_5p upward 
+A30-A31 : adjacent_5p upward 
+A31-A32 : adjacent_5p upward 
+A36-A37 : adjacent_5p upward 
+A38-A39 : adjacent_5p upward 
+A40-A41 : adjacent_5p upward 
+A41-A42 : adjacent_5p upward 
+A42-A43 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A28-A38 : outward 
+Number of stackings = 21
+Number of adjacent stackings = 20
+Number of non adjacent stackings = 1
+Base-pairs ------------------------------------------------------
+A1-A2 : G-G O2'/Hh adjacent_5p upward pairing 
+A1-A17 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A16 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A15 : G-C Ww/Ww pairing antiparallel cis XIX 
+A4-A14 : A-U Ww/Ww pairing antiparallel cis XX 
+A5-A13 : G-C Ww/Ww pairing antiparallel cis XIX 
+A6-A11 : C-C Ww/Wh pairing antiparallel cis one_hbond 131 
+A7-A9 : U-A Hh/O2P pairing 
+A18-A32 : C-G Ww/Ww pairing antiparallel cis XIX 
+A19-A31 : C-G Ww/Ww pairing antiparallel cis XIX 
+A20-A30 : C-G Ww/Ww pairing antiparallel cis XIX 
+A20-A35 : C-A Ws/Bs pairing parallel cis one_hbond 
+A21-A37 : C-C Ss/Hw pairing parallel cis one_hbond 
+A22-A24 : U-U Hh/O2P pairing 
+A24-A41 : U-A Ww/Ww pairing antiparallel cis one_hbond 
+A25-A40 : U-A Ww/Ww pairing antiparallel cis XX 
+A26-A39 : C-G Ww/Ww pairing antiparallel cis XIX 
+A27-A38 : C-G Ww/Ww pairing antiparallel cis XIX 
+A28-A37 : G-C Ww/Ww pairing antiparallel cis XIX 
+A29-A36 : A-U Ww/Ww pairing antiparallel cis XX 
+A32-A34 : G-C O2P/Bh pairing 
+A32-A35 : G-A O2'/Bh pairing 
+A39-A40 : G-A O2'/Hh adjacent_5p pairing 
+A43-A44 : C-A O2'/Hh adjacent_5p pairing 
+Residue conformations -------------------------------------------
+A1 : G C2p_exo anti
+A2 : G C3p_endo anti
+A3 : G C3p_endo anti
+A4 : A C3p_endo anti
+A5 : G C3p_endo anti
+A6 : C C3p_endo anti
+A7 : U C3p_endo anti
+A8 : C C1p_exo anti
+A9 : A C3p_endo anti
+A10 : A C3p_endo anti
+A11 : C C3p_endo anti
+A12 : U C3p_endo anti
+A13 : C C2p_exo anti
+A14 : U C3p_endo anti
+A15 : C C3p_endo anti
+A16 : C C3p_endo anti
+A17 : C C3p_endo anti
+A18 : C C3p_endo anti
+A19 : C C3p_endo anti
+A20 : C C3p_endo anti
+A21 : C C3p_endo anti
+A22 : U C2p_endo anti
+A23 : U C3p_endo anti
+A24 : U C2p_exo anti
+A25 : U C3p_endo anti
+A26 : C C4p_exo anti
+A27 : C C4p_exo anti
+A28 : G C3p_endo anti
+A29 : A C3p_endo anti
+A30 : G C2p_exo anti
+A31 : G C3p_endo anti
+A32 : G C4p_exo anti
+A33 : U C2p_endo anti
+A34 : C C3p_endo anti
+A35 : A C1p_exo anti
+A36 : U C3p_endo anti
+A37 : C C3p_endo anti
+A38 : G C3p_endo anti
+A39 : G C3p_endo anti
+A40 : A C3p_endo anti
+A41 : A C3p_endo anti
+A42 : C C3p_endo anti
+A43 : C C3p_endo anti
+A44 : A O4p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A25-A26 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+A28-A29 : adjacent_5p upward 
+A29-A30 : adjacent_5p upward 
+A30-A31 : adjacent_5p upward 
+A31-A32 : adjacent_5p upward 
+A36-A37 : adjacent_5p upward 
+A38-A39 : adjacent_5p upward 
+A39-A40 : adjacent_5p upward 
+A40-A41 : adjacent_5p upward 
+A41-A42 : adjacent_5p upward 
+A42-A43 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A28-A38 : outward 
+Number of stackings = 24
+Number of adjacent stackings = 23
+Number of non adjacent stackings = 1
+Base-pairs ------------------------------------------------------
+A1-A17 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A16 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A15 : G-C Ww/Ww pairing antiparallel cis XIX 
+A4-A14 : A-U Ww/Ww pairing antiparallel cis XX 
+A5-A13 : G-C Ww/Ww pairing antiparallel cis XIX 
+A6-A10 : C-A Ws/Hw pairing antiparallel trans one_hbond 
+A7-A9 : U-A Hh/O2P pairing 
+A18-A32 : C-G Ww/Ww pairing antiparallel cis XIX 
+A19-A31 : C-G Ww/Ww pairing antiparallel cis XIX 
+A20-A30 : C-G Ww/Ww pairing antiparallel cis XIX 
+A20-A35 : C-A Ws/Bs pairing parallel cis one_hbond 
+A25-A40 : U-A Ww/Ww pairing antiparallel cis XX 
+A26-A39 : C-G Ww/Ww pairing antiparallel cis XIX 
+A27-A38 : C-G Ww/Ww pairing antiparallel cis XIX 
+A28-A37 : G-C Ww/Ww pairing antiparallel cis XIX 
+A29-A36 : A-U Ww/Ww pairing antiparallel cis XX 
+A32-A35 : G-A O2'/Bh pairing 
+Residue conformations -------------------------------------------
+A1 : G C2p_exo anti
+A2 : G C4p_exo anti
+A3 : G C3p_endo anti
+A4 : A C2p_exo anti
+A5 : G C3p_endo anti
+A6 : C C3p_endo anti
+A7 : U C3p_endo anti
+A8 : C O4p_endo anti
+A9 : A C3p_endo anti
+A10 : A C3p_endo anti
+A11 : C C3p_endo anti
+A12 : U C3p_endo anti
+A13 : C C2p_exo anti
+A14 : U C3p_endo anti
+A15 : C C3p_endo anti
+A16 : C C3p_endo anti
+A17 : C C3p_endo anti
+A18 : C C3p_endo anti
+A19 : C C2p_exo anti
+A20 : C C3p_endo anti
+A21 : C C3p_endo anti
+A22 : U C2p_endo anti
+A23 : U C3p_endo anti
+A24 : U C3p_endo anti
+A25 : U C3p_endo anti
+A26 : C C3p_endo anti
+A27 : C C3p_endo anti
+A28 : G C3p_endo anti
+A29 : A C3p_endo anti
+A30 : G C3p_endo anti
+A31 : G C2p_exo anti
+A32 : G C3p_endo anti
+A33 : U C2p_endo anti
+A34 : C C3p_endo anti
+A35 : A C2p_endo anti
+A36 : U C3p_endo anti
+A37 : C C3p_endo anti
+A38 : G C3p_endo anti
+A39 : G C4p_exo anti
+A40 : A C2p_exo anti
+A41 : A C3p_endo anti
+A42 : C C3p_endo anti
+A43 : C C3p_endo anti
+A44 : A O4p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+A24-A25 : adjacent_5p upward 
+A25-A26 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+A27-A28 : adjacent_5p upward 
+A28-A29 : adjacent_5p upward 
+A29-A30 : adjacent_5p upward 
+A30-A31 : adjacent_5p upward 
+A31-A32 : adjacent_5p upward 
+A36-A37 : adjacent_5p upward 
+A38-A39 : adjacent_5p upward 
+A39-A40 : adjacent_5p upward pairing 
+A40-A41 : adjacent_5p upward 
+A41-A42 : adjacent_5p upward 
+A42-A43 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A28-A38 : outward 
+Number of stackings = 28
+Number of adjacent stackings = 27
+Number of non adjacent stackings = 1
+Base-pairs ------------------------------------------------------
+A1-A17 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A16 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A15 : G-C Ww/Ww pairing antiparallel cis XIX 
+A4-A14 : A-U Ww/Ww pairing antiparallel cis XX 
+A5-A13 : G-C Ww/Ww pairing antiparallel cis XIX 
+A6-A11 : C-C Ww/Bh pairing antiparallel trans 137 
+A7-A9 : U-A Hh/O2P pairing 
+A18-A32 : C-G Ww/Ww pairing antiparallel cis XIX 
+A19-A31 : C-G Ww/Ww pairing antiparallel cis XIX 
+A19-A35 : C-A Ws/Wh pairing parallel trans one_hbond 79 
+A20-A30 : C-G Ww/Ww pairing antiparallel cis XIX 
+A20-A35 : C-A Ws/Bs O2'/Ss pairing parallel cis one_hbond 
+A21-A37 : C-C Ss/Hw O2'/Bh pairing parallel cis one_hbond 
+A22-A36 : U-U Ww/O2P pairing 
+A24-A41 : U-A Ws/Wh pairing antiparallel trans one_hbond 46 
+A25-A40 : U-A Ww/Ww pairing antiparallel cis XX 
+A26-A39 : C-G Ww/Ww pairing antiparallel cis XIX 
+A27-A38 : C-G Ww/Ww pairing antiparallel cis XIX 
+A28-A37 : G-C Ww/Ww pairing antiparallel cis XIX 
+A29-A36 : A-U Ww/Ww pairing antiparallel cis XX 
+A39-A40 : G-A O2'/Hh adjacent_5p upward pairing 
+Residue conformations -------------------------------------------
+A1 : G C2p_exo anti
+A2 : G C4p_exo anti
+A3 : G C3p_endo anti
+A4 : A C2p_exo anti
+A5 : G C3p_endo anti
+A6 : C C3p_endo anti
+A7 : U C3p_endo anti
+A8 : C C1p_exo anti
+A9 : A C3p_endo anti
+A10 : A C2p_exo anti
+A11 : C C3p_endo anti
+A12 : U C3p_endo anti
+A13 : C C2p_exo anti
+A14 : U C3p_endo anti
+A15 : C C3p_endo anti
+A16 : C C3p_endo anti
+A17 : C C3p_endo anti
+A18 : C C3p_endo anti
+A19 : C C3p_endo anti
+A20 : C C3p_endo anti
+A21 : C C3p_endo anti
+A22 : U C2p_endo anti
+A23 : U C3p_endo anti
+A24 : U C3p_endo anti
+A25 : U C3p_endo anti
+A26 : C C3p_endo anti
+A27 : C C3p_endo anti
+A28 : G C3p_endo anti
+A29 : A C3p_endo anti
+A30 : G C3p_endo anti
+A31 : G C3p_endo anti
+A32 : G C3p_endo anti
+A33 : U C3p_exo anti
+A34 : C C3p_endo anti
+A35 : A C2p_endo anti
+A36 : U C3p_endo anti
+A37 : C C3p_endo anti
+A38 : G C3p_endo anti
+A39 : G C3p_endo anti
+A40 : A C3p_endo anti
+A41 : A C3p_endo anti
+A42 : C C3p_endo anti
+A43 : C C3p_endo anti
+A44 : A O4p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+A25-A26 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+A27-A28 : adjacent_5p upward 
+A28-A29 : adjacent_5p upward 
+A29-A30 : adjacent_5p upward 
+A30-A31 : adjacent_5p upward 
+A31-A32 : adjacent_5p upward 
+A36-A37 : adjacent_5p upward 
+A38-A39 : adjacent_5p upward 
+A39-A40 : adjacent_5p upward 
+A41-A42 : adjacent_5p upward 
+A42-A43 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 21
+Number of adjacent stackings = 21
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A1-A17 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A16 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A15 : G-C Ww/Ww pairing antiparallel cis XIX 
+A4-A14 : A-U Ww/Ww pairing antiparallel cis XX 
+A5-A13 : G-C Ww/Ww pairing antiparallel cis XIX 
+A6-A10 : C-A Ws/Wh pairing antiparallel trans one_hbond 78 
+A7-A9 : U-A Hh/O2P pairing 
+A7-A10 : U-A Ww/O2P pairing 
+A18-A32 : C-G Ww/Ww pairing antiparallel cis XIX 
+A19-A31 : C-G Ww/Ww pairing antiparallel cis XIX 
+A20-A30 : C-G Ww/Ww pairing antiparallel cis XIX 
+A20-A35 : C-A Ws/Bs pairing parallel cis one_hbond 
+A21-A27 : C-C Ws/Hw pairing antiparallel trans one_hbond 
+A21-A37 : C-C Ss/Hw O2'/Bh pairing parallel cis one_hbond 
+A25-A40 : U-A Ww/Ww pairing antiparallel cis XX 
+A26-A39 : C-G Ww/Ww pairing antiparallel cis XIX 
+A27-A38 : C-G Ww/Ww pairing antiparallel cis XIX 
+A28-A37 : G-C Ww/Ww pairing antiparallel cis XIX 
+A29-A36 : A-U Ww/Ww pairing antiparallel cis XX 
+A30-A35 : G-A Ws/Ww pairing antiparallel cis one_hbond 
+A43-A44 : C-A O2'/Hh adjacent_5p pairing 
+Residue conformations -------------------------------------------
+A1 : G C2p_exo anti
+A2 : G C4p_exo anti
+A3 : G C4p_exo anti
+A4 : A C2p_exo anti
+A5 : G C3p_endo anti
+A6 : C C3p_endo anti
+A7 : U C3p_endo anti
+A8 : C C1p_exo anti
+A9 : A C3p_endo anti
+A10 : A C3p_endo anti
+A11 : C C3p_endo anti
+A12 : U C3p_endo anti
+A13 : C C2p_exo anti
+A14 : U C3p_endo anti
+A15 : C C3p_endo anti
+A16 : C C3p_endo anti
+A17 : C C3p_endo anti
+A18 : C C3p_endo anti
+A19 : C C3p_endo anti
+A20 : C C3p_endo anti
+A21 : C C4p_exo anti
+A22 : U C2p_endo anti
+A23 : U C3p_endo anti
+A24 : U C3p_endo anti
+A25 : U C3p_endo anti
+A26 : C C3p_endo anti
+A27 : C C3p_endo anti
+A28 : G C3p_endo anti
+A29 : A C3p_endo anti
+A30 : G C3p_endo anti
+A31 : G C2p_exo anti
+A32 : G C3p_endo anti
+A33 : U C3p_exo anti
+A34 : C C3p_endo anti
+A35 : A C2p_endo anti
+A36 : U C3p_endo anti
+A37 : C C3p_endo anti
+A38 : G C3p_endo anti
+A39 : G C3p_endo anti
+A40 : A C3p_endo anti
+A41 : A C3p_endo anti
+A42 : C C3p_endo anti
+A43 : C C3p_endo anti
+A44 : A O4p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+A23-A24 : adjacent_5p upward 
+A25-A26 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+A27-A28 : adjacent_5p upward 
+A28-A29 : adjacent_5p upward 
+A29-A30 : adjacent_5p upward 
+A30-A31 : adjacent_5p upward 
+A31-A32 : adjacent_5p upward 
+A36-A37 : adjacent_5p upward 
+A38-A39 : adjacent_5p upward 
+A39-A40 : adjacent_5p upward 
+A41-A42 : adjacent_5p upward 
+A42-A43 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 25
+Number of adjacent stackings = 25
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A1-A17 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A16 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A4 : G-A O2'/Hh adjacent_5p pairing 
+A3-A15 : G-C Ww/Ww pairing antiparallel cis XIX 
+A4-A14 : A-U Ww/Ww pairing antiparallel cis XX 
+A5-A13 : G-C Ww/Ww pairing antiparallel cis XIX 
+A6-A11 : C-C Ww/Hw pairing antiparallel trans one_hbond 
+A7-A9 : U-A Hh/O2P pairing 
+A18-A32 : C-G Ww/Ww pairing antiparallel cis XIX 
+A19-A31 : C-G Ww/Ww pairing antiparallel cis XIX 
+A19-A35 : C-A Ws/Wh pairing parallel trans one_hbond 79 
+A20-A30 : C-G Ww/Ww pairing antiparallel cis XIX 
+A20-A35 : C-A Bs/Bs pairing parallel cis one_hbond 
+A21-A27 : C-C O2'/Bh pairing 
+A21-A37 : C-C O2'/Bh pairing 
+A22-A37 : U-C O2P/Bh pairing 
+A23-A26 : U-C O2P/Bh pairing 
+A25-A40 : U-A Ww/Ww pairing antiparallel cis XX 
+A26-A39 : C-G Ww/Ww pairing antiparallel cis XIX 
+A27-A38 : C-G Ww/Ww pairing antiparallel cis XIX 
+A28-A37 : G-C Ww/Ww pairing antiparallel cis XIX 
+A29-A36 : A-U Ww/Ww pairing antiparallel cis XX 
+A43-A44 : C-A O2'/Hh adjacent_5p pairing 
+Residue conformations -------------------------------------------
+A1 : G C2p_exo anti
+A2 : G C4p_exo anti
+A3 : G C3p_endo anti
+A4 : A C3p_endo anti
+A5 : G C3p_endo anti
+A6 : C C3p_endo anti
+A7 : U C3p_endo anti
+A8 : C C3p_endo anti
+A9 : A C3p_endo anti
+A10 : A C3p_endo anti
+A11 : C C3p_endo anti
+A12 : U C3p_endo anti
+A13 : C C2p_exo anti
+A14 : U C3p_endo anti
+A15 : C C3p_endo anti
+A16 : C C3p_endo anti
+A17 : C C3p_endo anti
+A18 : C C3p_endo anti
+A19 : C C3p_endo anti
+A20 : C C3p_endo anti
+A21 : C C4p_exo anti
+A22 : U C2p_endo anti
+A23 : U C3p_endo anti
+A24 : U C3p_endo anti
+A25 : U C3p_endo anti
+A26 : C C4p_exo anti
+A27 : C C3p_endo anti
+A28 : G C3p_endo anti
+A29 : A C3p_endo anti
+A30 : G C3p_endo anti
+A31 : G C3p_endo anti
+A32 : G C3p_endo anti
+A33 : U C2p_endo anti
+A34 : C C3p_endo anti
+A35 : A C2p_endo anti
+A36 : U C3p_endo anti
+A37 : C C3p_endo anti
+A38 : G C3p_endo anti
+A39 : G C4p_exo anti
+A40 : A C2p_exo anti
+A41 : A C3p_endo anti
+A42 : C C3p_endo anti
+A43 : C C3p_endo anti
+A44 : A O4p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A25-A26 : adjacent_5p upward 
+A27-A28 : adjacent_5p upward 
+A28-A29 : adjacent_5p upward 
+A29-A30 : adjacent_5p upward 
+A30-A31 : adjacent_5p upward 
+A36-A37 : adjacent_5p upward 
+A38-A39 : adjacent_5p upward 
+A40-A41 : adjacent_5p upward 
+A41-A42 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A28-A38 : outward 
+Number of stackings = 20
+Number of adjacent stackings = 19
+Number of non adjacent stackings = 1
+Base-pairs ------------------------------------------------------
+A1-A17 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A16 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A15 : G-C Ww/Ww pairing antiparallel cis XIX 
+A4-A14 : A-U Ww/Ww pairing antiparallel cis XX 
+A5-A13 : G-C Ww/Ww pairing antiparallel cis XIX 
+A6-A11 : C-C Ww/Wh pairing antiparallel cis one_hbond 131 
+A18-A32 : C-G Ww/Ww pairing antiparallel cis XIX 
+A19-A31 : C-G Ww/Ww pairing antiparallel cis XIX 
+A20-A30 : C-G Ww/Ww pairing antiparallel cis XIX 
+A21-A37 : C-C O2'/Bh pairing 
+A25-A40 : U-A Ww/Ww pairing antiparallel cis XX 
+A26-A39 : C-G Ww/Ww pairing antiparallel cis XIX 
+A27-A38 : C-G Ww/Ww pairing antiparallel cis XIX 
+A28-A37 : G-C Ww/Ww pairing antiparallel cis XIX 
+A29-A36 : A-U Ww/Ww pairing antiparallel cis XX 
+A30-A35 : G-A Bs/Ww pairing antiparallel cis one_hbond 
+A31-A35 : G-A Ss/Wh pairing antiparallel trans one_hbond 63 
+A35-A36 : A-U O2'/Hh adjacent_5p pairing 
+A39-A40 : G-A O2'/Hh adjacent_5p pairing 
+A43-A44 : C-A O2'/Hh adjacent_5p pairing 
+Residue conformations -------------------------------------------
+A1 : G C2p_exo anti
+A2 : G C4p_exo anti
+A3 : G C3p_endo anti
+A4 : A C2p_exo anti
+A5 : G C3p_endo anti
+A6 : C C3p_endo anti
+A7 : U C3p_endo anti
+A8 : C C2p_endo anti
+A9 : A C3p_endo anti
+A10 : A C3p_endo anti
+A11 : C C3p_endo anti
+A12 : U C3p_endo anti
+A13 : C C2p_exo anti
+A14 : U C3p_endo anti
+A15 : C C3p_endo anti
+A16 : C C3p_endo anti
+A17 : C C3p_endo anti
+A18 : C C3p_endo anti
+A19 : C C2p_exo anti
+A20 : C C3p_endo anti
+A21 : C C4p_exo anti
+A22 : U C2p_endo anti
+A23 : U C3p_endo anti
+A24 : U C3p_endo anti
+A25 : U C3p_endo anti
+A26 : C C3p_endo anti
+A27 : C C3p_endo anti
+A28 : G C3p_endo anti
+A29 : A C3p_endo anti
+A30 : G C3p_endo anti
+A31 : G C2p_exo anti
+A32 : G C2p_exo anti
+A33 : U C3p_exo anti
+A34 : C C2p_exo anti
+A35 : A C2p_endo anti
+A36 : U C3p_endo anti
+A37 : C C3p_endo anti
+A38 : G C3p_endo anti
+A39 : G C3p_endo anti
+A40 : A C3p_endo anti
+A41 : A C3p_endo anti
+A42 : C C3p_endo anti
+A43 : C C3p_endo anti
+A44 : A O4p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+A23-A24 : adjacent_5p upward 
+A25-A26 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+A27-A28 : adjacent_5p upward 
+A28-A29 : adjacent_5p upward 
+A29-A30 : adjacent_5p upward 
+A30-A31 : adjacent_5p upward 
+A31-A32 : adjacent_5p upward 
+A36-A37 : adjacent_5p upward 
+A38-A39 : adjacent_5p upward 
+A39-A40 : adjacent_5p upward 
+A41-A42 : adjacent_5p upward 
+A42-A43 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 23
+Number of adjacent stackings = 23
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A1-A17 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A16 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A15 : G-C Ww/Ww pairing antiparallel cis XIX 
+A4-A14 : A-U Ww/Ww pairing antiparallel cis XX 
+A5-A13 : G-C Ww/Ww pairing antiparallel cis XIX 
+A6-A11 : C-C Ww/Wh pairing antiparallel cis one_hbond 131 
+A18-A32 : C-G Ww/Ww pairing antiparallel cis XIX 
+A19-A31 : C-G Ww/Ww pairing antiparallel cis XIX 
+A20-A30 : C-G Ww/Ww pairing antiparallel cis XIX 
+A20-A35 : C-A Ws/Bs pairing parallel cis one_hbond 
+A21-A27 : C-C O2'/Bh pairing 
+A21-A37 : C-C O2'/Bh pairing 
+A24-A25 : U-U Hh/Hw adjacent_5p pairing parallel cis one_hbond 
+A25-A40 : U-A Ww/Ww pairing antiparallel cis XX 
+A26-A39 : C-G Ww/Ww pairing antiparallel cis XIX 
+A27-A38 : C-G Ww/Ww pairing antiparallel cis XIX 
+A28-A37 : G-C Ww/Ww pairing antiparallel cis XIX 
+A29-A36 : A-U Ww/Ww pairing antiparallel cis XX 
+A30-A35 : G-A Bs/Ww pairing antiparallel cis one_hbond 
+A34-A35 : C-A O2P/Hh adjacent_5p pairing 
+A35-A36 : A-U O2'/Hh adjacent_5p pairing 
+A43-A44 : C-A O2'/Hh adjacent_5p pairing 
+Residue conformations -------------------------------------------
+A1 : G C2p_exo anti
+A2 : G C4p_exo anti
+A3 : G C3p_endo anti
+A4 : A C3p_endo anti
+A5 : G C3p_endo anti
+A6 : C C3p_endo anti
+A7 : U C3p_endo anti
+A8 : C C3p_endo anti
+A9 : A C3p_endo anti
+A10 : A C3p_endo anti
+A11 : C C3p_endo anti
+A12 : U C3p_endo anti
+A13 : C C3p_endo anti
+A14 : U C3p_endo anti
+A15 : C C3p_endo anti
+A16 : C C3p_endo anti
+A17 : C C3p_endo anti
+A18 : C C3p_endo anti
+A19 : C C3p_endo anti
+A20 : C C3p_endo anti
+A21 : C C4p_exo anti
+A22 : U C2p_endo anti
+A23 : U C3p_endo anti
+A24 : U C3p_endo anti
+A25 : U C3p_endo anti
+A26 : C C3p_endo anti
+A27 : C C3p_endo anti
+A28 : G C3p_endo anti
+A29 : A C3p_endo anti
+A30 : G C3p_endo anti
+A31 : G C3p_endo anti
+A32 : G C3p_endo anti
+A33 : U C2p_endo anti
+A34 : C C3p_endo anti
+A35 : A C2p_endo anti
+A36 : U C3p_endo anti
+A37 : C C4p_exo anti
+A38 : G C3p_endo anti
+A39 : G C4p_exo anti
+A40 : A C2p_exo anti
+A41 : A C3p_endo anti
+A42 : C C3p_endo anti
+A43 : C C3p_endo anti
+A44 : A O4p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A23-A24 : adjacent_5p upward 
+A25-A26 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+A28-A29 : adjacent_5p upward 
+A29-A30 : adjacent_5p upward 
+A30-A31 : adjacent_5p upward 
+A31-A32 : adjacent_5p upward 
+A36-A37 : adjacent_5p upward 
+A38-A39 : adjacent_5p upward 
+A39-A40 : adjacent_5p upward pairing 
+A40-A41 : adjacent_5p upward 
+A41-A42 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A28-A38 : outward 
+Number of stackings = 23
+Number of adjacent stackings = 22
+Number of non adjacent stackings = 1
+Base-pairs ------------------------------------------------------
+A1-A17 : G-C Ww/Ww pairing antiparallel cis XIX 
+A1-A18 : G-C Bs/O2' pairing 
+A2-A16 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A15 : G-C Ww/Ww pairing antiparallel cis XIX 
+A4-A14 : A-U Ww/Ww pairing antiparallel cis XX 
+A5-A13 : G-C Ww/Ww pairing antiparallel cis XIX 
+A6-A11 : C-C Ww/Bh pairing antiparallel trans 137 
+A18-A32 : C-G Ww/Ww pairing antiparallel cis XIX 
+A19-A31 : C-G Ww/Ww pairing antiparallel cis XIX 
+A20-A30 : C-G Ww/Ww pairing antiparallel cis XIX 
+A21-A37 : C-C Ss/Hw O2'/Bh pairing parallel cis one_hbond 
+A25-A40 : U-A Ww/Ww pairing antiparallel cis XX 
+A26-A39 : C-G Ww/Ww pairing antiparallel cis XIX 
+A27-A38 : C-G Ww/Ww pairing antiparallel cis XIX 
+A28-A37 : G-C Ww/Ww pairing antiparallel cis XIX 
+A29-A36 : A-U Ww/Ww pairing antiparallel cis XX 
+A30-A35 : G-A Bs/Ww pairing parallel cis one_hbond 56 
+A31-A35 : G-A Ss/Wh O2'/Bh pairing parallel trans one_hbond 
+A39-A40 : G-A O2'/Hh adjacent_5p upward pairing 
+Residue conformations -------------------------------------------
+A1 : G C2p_exo anti
+A2 : G C4p_exo anti
+A3 : G C3p_endo anti
+A4 : A C3p_endo anti
+A5 : G C3p_endo anti
+A6 : C C3p_endo anti
+A7 : U C3p_endo anti
+A8 : C O4p_endo anti
+A9 : A C3p_endo anti
+A10 : A C3p_endo anti
+A11 : C C3p_endo anti
+A12 : U C3p_endo anti
+A13 : C C2p_exo anti
+A14 : U C3p_endo anti
+A15 : C C3p_endo anti
+A16 : C C3p_endo anti
+A17 : C C3p_endo anti
+A18 : C C3p_endo anti
+A19 : C C3p_endo anti
+A20 : C C3p_endo anti
+A21 : C C3p_endo anti
+A22 : U C2p_endo anti
+A23 : U C3p_endo anti
+A24 : U C3p_endo anti
+A25 : U C3p_endo anti
+A26 : C C3p_endo anti
+A27 : C C3p_endo anti
+A28 : G C3p_endo anti
+A29 : A C3p_endo anti
+A30 : G C3p_endo anti
+A31 : G C2p_exo anti
+A32 : G C3p_endo anti
+A33 : U C2p_endo anti
+A34 : C C3p_endo anti
+A35 : A C2p_endo anti
+A36 : U C3p_endo anti
+A37 : C C3p_endo anti
+A38 : G C3p_endo anti
+A39 : G C3p_endo anti
+A40 : A C3p_endo anti
+A41 : A C3p_endo anti
+A42 : C C3p_endo anti
+A43 : C C3p_endo anti
+A44 : A O4p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+A25-A26 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+A27-A28 : adjacent_5p upward 
+A28-A29 : adjacent_5p upward 
+A29-A30 : adjacent_5p upward 
+A30-A31 : adjacent_5p upward 
+A31-A32 : adjacent_5p upward 
+A36-A37 : adjacent_5p upward 
+A38-A39 : adjacent_5p upward 
+A39-A40 : adjacent_5p upward 
+A41-A42 : adjacent_5p upward 
+A42-A43 : adjacent_5p upward 
+A43-A44 : adjacent_5p inward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 25
+Number of adjacent stackings = 25
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A1-A17 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A16 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A15 : G-C Ww/Ww pairing antiparallel cis XIX 
+A4-A14 : A-U Ww/Ww pairing antiparallel cis XX 
+A5-A13 : G-C Ww/Ww pairing antiparallel cis XIX 
+A7-A9 : U-A Hh/O2P pairing 
+A7-A10 : U-A Ww/O2P pairing 
+A18-A32 : C-G Ww/Ww pairing antiparallel cis XIX 
+A19-A31 : C-G Ww/Ww pairing antiparallel cis XIX 
+A19-A35 : C-A Ws/Wh pairing parallel trans one_hbond 79 
+A20-A30 : C-G Ww/Ww pairing antiparallel cis XIX 
+A20-A35 : C-A Bs/Bs O2'/Ss pairing parallel cis one_hbond 
+A21-A37 : C-C Ss/Hw O2'/Bh pairing parallel trans one_hbond 
+A22-A24 : U-U Hh/O2P pairing 
+A24-A25 : U-U Hh/Hw adjacent_5p pairing parallel cis one_hbond 
+A25-A40 : U-A Ww/Ww pairing antiparallel cis XX 
+A26-A39 : C-G Ww/Ww pairing antiparallel cis XIX 
+A27-A38 : C-G Ww/Ww pairing antiparallel cis XIX 
+A28-A37 : G-C Ww/Ww pairing antiparallel cis XIX 
+A29-A36 : A-U Ww/Ww pairing antiparallel cis XX 
diff --git a/MCdata/1a9l_MC b/MCdata/1a9l_MC
new file mode 100644
index 0000000000000000000000000000000000000000..8ddd8e65f90ad600e3da499137b6f83eb3036dfe
--- /dev/null
+++ b/MCdata/1a9l_MC
@@ -0,0 +1,1086 @@
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : G C3p_endo anti
+A4 : U C3p_endo anti
+A5 : G C3p_endo anti
+A6 : A C2p_endo anti
+A7 : C C3p_endo anti
+A8 : U C3p_endo anti
+A9 : C C3p_endo anti
+A10 : C C3p_endo anti
+A11 : A C2p_exo anti
+A12 : G C1p_exo anti
+A13 : A C2p_endo anti
+A14 : G C3p_endo anti
+A15 : G C3p_endo anti
+A16 : U C3p_endo anti
+A17 : C C3p_endo anti
+A18 : G C3p_endo anti
+A19 : A C4p_exo anti
+A20 : G C3p_endo anti
+A21 : A C2p_exo anti
+A22 : G C3p_endo anti
+A23 : A C3p_endo anti
+A24 : C C3p_endo anti
+A25 : C C3p_exo anti
+A26 : G C2p_exo anti
+A27 : G C2p_exo anti
+A28 : A C3p_endo anti
+A29 : G C3p_endo anti
+A30 : A C3p_endo anti
+A31 : U C4p_exo anti
+A32 : A C2p_endo anti
+A33 : U C3p_endo anti
+A34 : C C3p_endo anti
+A35 : A C3p_endo anti
+A36 : C C3p_endo anti
+A37 : C C3p_endo anti
+A38 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward pairing 
+A20-A21 : adjacent_5p upward 
+A22-A23 : adjacent_5p upward 
+A23-A24 : adjacent_5p upward 
+A24-A25 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+A27-A28 : adjacent_5p upward 
+A28-A29 : adjacent_5p upward 
+A29-A30 : adjacent_5p upward 
+A30-A31 : adjacent_5p upward 
+A32-A33 : adjacent_5p upward 
+A34-A35 : adjacent_5p upward 
+A35-A36 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A5-A35 : outward 
+A11-A26 : outward 
+A18-A22 : outward 
+Number of stackings = 26
+Number of adjacent stackings = 23
+Number of non adjacent stackings = 3
+Base-pairs ------------------------------------------------------
+A1-A38 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A37 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A36 : G-C Ww/Ww pairing antiparallel cis XIX 
+A4-A35 : U-A Ww/Ww pairing antiparallel cis XX 
+A5-A34 : G-C Ww/Ww pairing antiparallel cis XIX 
+A6-A33 : A-U Ww/Ww pairing antiparallel cis XX 
+A7-A29 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-A28 : U-A Ww/Ww pairing antiparallel cis XX 
+A9-A27 : C-G Ww/Ww pairing antiparallel cis XIX 
+A10-A26 : C-G Ww/Ww pairing antiparallel cis XIX 
+A11-A12 : A-G O2'/C8 adjacent_5p pairing 
+A13-A14 : A-G O2'/Hh adjacent_5p pairing 
+A13-A26 : A-G Ww/O2' pairing 
+A14-A25 : G-C Ww/Ww pairing antiparallel cis XIX 
+A14-A26 : G-G Bs/O2' pairing 
+A15-A24 : G-C Ww/Ww pairing antiparallel cis XIX 
+A16-A23 : U-A Ww/Ww pairing antiparallel cis XX 
+A17-A22 : C-G Ww/Ww pairing antiparallel cis XIX 
+A18-A20 : G-G O2'/Hh pairing 
+A19-A20 : A-G O2P/Hh adjacent_5p upward pairing 
+A31-A32 : U-A O2'/C8 adjacent_5p pairing 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : G C3p_endo anti
+A4 : U C3p_endo anti
+A5 : G C3p_endo anti
+A6 : A C2p_endo anti
+A7 : C C3p_endo anti
+A8 : U C3p_endo anti
+A9 : C C3p_endo anti
+A10 : C C3p_endo anti
+A11 : A C3p_endo anti
+A12 : G C1p_exo syn
+A13 : A C2p_endo anti
+A14 : G C2p_exo anti
+A15 : G C3p_endo anti
+A16 : U C3p_endo anti
+A17 : C C3p_endo anti
+A18 : G C3p_endo anti
+A19 : A C4p_exo anti
+A20 : G C3p_endo anti
+A21 : A C2p_exo anti
+A22 : G C3p_endo anti
+A23 : A C3p_endo anti
+A24 : C C3p_endo anti
+A25 : C C3p_exo anti
+A26 : G C2p_exo anti
+A27 : G C3p_endo anti
+A28 : A C3p_endo anti
+A29 : G C3p_endo anti
+A30 : A C3p_endo anti
+A31 : U C3p_exo anti
+A32 : A C4p_exo anti
+A33 : U C3p_endo anti
+A34 : C C3p_endo anti
+A35 : A C3p_endo anti
+A36 : C C3p_endo anti
+A37 : C C3p_endo anti
+A38 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward pairing 
+A20-A21 : adjacent_5p upward 
+A22-A23 : adjacent_5p upward 
+A23-A24 : adjacent_5p upward 
+A24-A25 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+A27-A28 : adjacent_5p upward 
+A28-A29 : adjacent_5p upward 
+A29-A30 : adjacent_5p upward 
+A32-A33 : adjacent_5p upward 
+A33-A34 : adjacent_5p upward 
+A34-A35 : adjacent_5p upward 
+A35-A36 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A5-A35 : outward 
+A10-A27 : outward 
+A18-A22 : outward 
+Number of stackings = 25
+Number of adjacent stackings = 22
+Number of non adjacent stackings = 3
+Base-pairs ------------------------------------------------------
+A1-A38 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A37 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A36 : G-C Ww/Ww pairing antiparallel cis XIX 
+A4-A35 : U-A Ww/Ww pairing antiparallel cis XX 
+A5-A34 : G-C Ww/Ww pairing antiparallel cis XIX 
+A6-A33 : A-U Ww/Ww pairing antiparallel cis XX 
+A7-A29 : C-G Ww/Ww pairing antiparallel cis XIX 
+A7-A32 : C-A Ss/Wh O2'/Ww pairing parallel trans one_hbond 76 
+A8-A28 : U-A Ww/Ww pairing antiparallel cis XX 
+A9-A27 : C-G Ww/Ww pairing antiparallel cis XIX 
+A10-A26 : C-G Ww/Ww pairing antiparallel cis XIX 
+A12-A13 : G-A O2'/Ss adjacent_5p pairing 
+A13-A14 : A-G O2'/Hh adjacent_5p pairing 
+A13-A26 : A-G Ww/O2' pairing 
+A14-A25 : G-C Ww/Ww pairing antiparallel cis XIX 
+A14-A26 : G-G Bs/O2' pairing 
+A15-A24 : G-C Ww/Ww pairing antiparallel cis XIX 
+A16-A23 : U-A Ww/Ww pairing antiparallel cis XX 
+A17-A22 : C-G Ww/Ww pairing antiparallel cis XIX 
+A18-A20 : G-G O2'/Hh pairing 
+A19-A20 : A-G O2P/Hh adjacent_5p upward pairing 
+A30-A31 : A-U O2'/Hh adjacent_5p pairing 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : G C3p_endo anti
+A4 : U C3p_endo anti
+A5 : G C3p_endo anti
+A6 : A C2p_endo anti
+A7 : C C3p_endo anti
+A8 : U C3p_endo anti
+A9 : C C3p_endo anti
+A10 : C C3p_endo anti
+A11 : A C2p_exo anti
+A12 : G C1p_exo anti
+A13 : A C2p_endo anti
+A14 : G C3p_endo anti
+A15 : G C3p_endo anti
+A16 : U C3p_endo anti
+A17 : C C3p_endo anti
+A18 : G C4p_exo anti
+A19 : A C3p_exo anti
+A20 : G C3p_endo anti
+A21 : A C3p_endo anti
+A22 : G C3p_endo anti
+A23 : A C3p_endo anti
+A24 : C C3p_endo anti
+A25 : C C3p_endo anti
+A26 : G C4p_endo anti
+A27 : G C3p_endo anti
+A28 : A C3p_endo anti
+A29 : G C3p_endo anti
+A30 : A C3p_endo anti
+A31 : U C3p_endo anti
+A32 : A C2p_endo syn
+A33 : U C3p_endo anti
+A34 : C C3p_endo anti
+A35 : A C3p_endo anti
+A36 : C C3p_endo anti
+A37 : C C3p_endo anti
+A38 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward pairing 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A20-A21 : adjacent_5p outward 
+A22-A23 : adjacent_5p upward 
+A23-A24 : adjacent_5p upward 
+A24-A25 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+A27-A28 : adjacent_5p upward 
+A28-A29 : adjacent_5p upward 
+A29-A30 : adjacent_5p upward 
+A32-A33 : adjacent_5p upward 
+A35-A36 : adjacent_5p upward 
+A37-A38 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A5-A35 : outward 
+A9-A28 : outward 
+A11-A26 : outward 
+A18-A22 : outward 
+Number of stackings = 24
+Number of adjacent stackings = 20
+Number of non adjacent stackings = 4
+Base-pairs ------------------------------------------------------
+A1-A38 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A37 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A36 : G-C Ww/Ww pairing antiparallel cis XIX 
+A4-A35 : U-A Ww/Ww pairing antiparallel cis XX 
+A5-A34 : G-C Ww/Ww pairing antiparallel cis XIX 
+A6-A33 : A-U Ww/Ww pairing antiparallel cis XX 
+A7-A29 : C-G Ww/Ww pairing antiparallel cis XIX 
+A7-A32 : C-A O2'/Ww pairing 
+A8-A28 : U-A Ww/Ww pairing antiparallel cis XX 
+A9-A27 : C-G Ww/Ww pairing antiparallel cis XIX 
+A10-A26 : C-G Ww/Ww pairing antiparallel cis XIX 
+A12-A13 : G-A O2'/Ss adjacent_5p pairing 
+A12-A14 : G-G Ww/O2' pairing 
+A13-A14 : A-G O2'/Hh adjacent_5p upward pairing 
+A13-A26 : A-G Wh/Ss Ww/O2' pairing parallel cis one_hbond 
+A14-A25 : G-C Ww/Ww pairing antiparallel cis XIX 
+A14-A26 : G-G Ws/O2' pairing 
+A14-A27 : G-G Ws/O2P pairing 
+A15-A24 : G-C Ww/Ww pairing antiparallel cis XIX 
+A16-A23 : U-A Ww/Ww pairing antiparallel cis XX 
+A17-A22 : C-G Ww/Ww pairing antiparallel cis XIX 
+A18-A20 : G-G O2'/Hh pairing 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : G C3p_endo anti
+A4 : U C3p_endo anti
+A5 : G C3p_endo anti
+A6 : A C2p_endo anti
+A7 : C C3p_endo anti
+A8 : U C3p_endo anti
+A9 : C C3p_endo anti
+A10 : C C3p_endo anti
+A11 : A C2p_exo anti
+A12 : G C1p_exo anti
+A13 : A C2p_endo anti
+A14 : G C3p_endo anti
+A15 : G C3p_endo anti
+A16 : U C3p_endo anti
+A17 : C C3p_endo anti
+A18 : G C3p_exo anti
+A19 : A C4p_exo anti
+A20 : G C4p_exo anti
+A21 : A C3p_endo anti
+A22 : G C3p_endo anti
+A23 : A C3p_endo anti
+A24 : C C3p_endo anti
+A25 : C C3p_exo anti
+A26 : G C2p_exo anti
+A27 : G C2p_exo anti
+A28 : A C3p_endo anti
+A29 : G C3p_endo anti
+A30 : A C3p_endo anti
+A31 : U C3p_endo anti
+A32 : A C4p_exo anti
+A33 : U C3p_endo anti
+A34 : C C3p_endo anti
+A35 : A C3p_endo anti
+A36 : C C3p_endo anti
+A37 : C C3p_endo anti
+A38 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A22-A23 : adjacent_5p upward 
+A23-A24 : adjacent_5p upward 
+A24-A25 : adjacent_5p upward 
+A27-A28 : adjacent_5p upward 
+A28-A29 : adjacent_5p upward 
+A29-A30 : adjacent_5p upward 
+A32-A33 : adjacent_5p upward 
+A34-A35 : adjacent_5p upward 
+A35-A36 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A5-A35 : outward 
+A8-A29 : outward 
+A9-A28 : outward 
+A11-A26 : outward 
+A18-A22 : outward 
+Number of stackings = 24
+Number of adjacent stackings = 19
+Number of non adjacent stackings = 5
+Base-pairs ------------------------------------------------------
+A1-A38 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A37 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A36 : G-C Ww/Ww pairing antiparallel cis XIX 
+A4-A35 : U-A Ww/Ww pairing antiparallel cis XX 
+A5-A34 : G-C Ww/Ww pairing antiparallel cis XIX 
+A6-A33 : A-U Ww/Ww pairing antiparallel cis XX 
+A7-A29 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-A28 : U-A Ww/Ww pairing antiparallel cis XX 
+A9-A27 : C-G Ww/Ww pairing antiparallel cis XIX 
+A10-A26 : C-G Ww/Ww pairing antiparallel cis XIX 
+A13-A14 : A-G O2'/Hh adjacent_5p pairing 
+A13-A26 : A-G Wh/Ss Ww/O2' pairing parallel trans one_hbond 
+A14-A25 : G-C Ww/Ww pairing antiparallel cis XIX 
+A14-A26 : G-G Bs/O2' pairing 
+A15-A24 : G-C Ww/Ww pairing antiparallel cis XIX 
+A16-A23 : U-A Ww/Ww pairing antiparallel cis XX 
+A17-A22 : C-G Ww/Ww pairing antiparallel cis XIX 
+A18-A21 : G-A O2'/Bh pairing 
+A20-A21 : G-A O2'/C8 adjacent_5p pairing 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : G C3p_endo anti
+A4 : U C3p_endo anti
+A5 : G C3p_endo anti
+A6 : A C2p_endo anti
+A7 : C C3p_endo anti
+A8 : U C3p_endo anti
+A9 : C C3p_endo anti
+A10 : C C3p_endo anti
+A11 : A C3p_endo anti
+A12 : G C1p_exo anti
+A13 : A C3p_exo anti
+A14 : G C3p_endo anti
+A15 : G C3p_endo anti
+A16 : U C3p_endo anti
+A17 : C C3p_endo anti
+A18 : G C4p_exo anti
+A19 : A C3p_endo anti
+A20 : G C2p_exo anti
+A21 : A C3p_endo anti
+A22 : G C3p_endo anti
+A23 : A C3p_endo anti
+A24 : C C3p_endo anti
+A25 : C C3p_exo anti
+A26 : G C2p_exo anti
+A27 : G C2p_exo anti
+A28 : A C3p_endo anti
+A29 : G C3p_endo anti
+A30 : A C3p_endo anti
+A31 : U C3p_endo anti
+A32 : A C4p_exo anti
+A33 : U C3p_endo anti
+A34 : C C3p_endo anti
+A35 : A C3p_endo anti
+A36 : C C3p_endo anti
+A37 : C C3p_endo anti
+A38 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A20-A21 : adjacent_5p outward 
+A22-A23 : adjacent_5p upward 
+A23-A24 : adjacent_5p upward 
+A24-A25 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+A27-A28 : adjacent_5p upward 
+A28-A29 : adjacent_5p upward 
+A29-A30 : adjacent_5p upward 
+A32-A33 : adjacent_5p upward 
+A34-A35 : adjacent_5p upward 
+A35-A36 : adjacent_5p upward 
+A36-A37 : adjacent_5p upward 
+A37-A38 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A5-A35 : outward 
+A11-A26 : outward 
+A18-A20 : upward pairing 
+A18-A22 : outward 
+Number of stackings = 28
+Number of adjacent stackings = 24
+Number of non adjacent stackings = 4
+Base-pairs ------------------------------------------------------
+A1-A38 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A37 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A36 : G-C Ww/Ww pairing antiparallel cis XIX 
+A4-A35 : U-A Ww/Ww pairing antiparallel cis XX 
+A5-A34 : G-C Ww/Ww pairing antiparallel cis XIX 
+A6-A33 : A-U Ww/Ww pairing antiparallel cis XX 
+A7-A29 : C-G Ww/Ww pairing antiparallel cis XIX 
+A7-A32 : C-A O2'/Ww pairing 
+A8-A28 : U-A Ww/Ww pairing antiparallel cis XX 
+A9-A27 : C-G Ww/Ww pairing antiparallel cis XIX 
+A10-A26 : C-G Ww/Ww pairing antiparallel cis XIX 
+A13-A14 : A-G O2'/Hh adjacent_5p pairing 
+A13-A26 : A-G Ww/O2' pairing 
+A14-A25 : G-C Ww/Ww pairing antiparallel cis XIX 
+A14-A26 : G-G Bs/O2' pairing 
+A15-A24 : G-C Ww/Ww pairing antiparallel cis XIX 
+A16-A23 : U-A Ww/Ww pairing antiparallel cis XX 
+A17-A22 : C-G Ww/Ww pairing antiparallel cis XIX 
+A18-A20 : G-G O2'/Hh upward pairing 
+A19-A20 : A-G O2P/Hh adjacent_5p pairing 
+A31-A32 : U-A O2'/C8 adjacent_5p pairing 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : G C3p_endo anti
+A4 : U C3p_endo anti
+A5 : G C3p_endo anti
+A6 : A C2p_endo anti
+A7 : C C3p_endo anti
+A8 : U C3p_endo anti
+A9 : C C3p_endo anti
+A10 : C C3p_endo anti
+A11 : A C3p_endo anti
+A12 : G C1p_exo anti
+A13 : A C3p_exo anti
+A14 : G C3p_endo anti
+A15 : G C3p_endo anti
+A16 : U C3p_endo anti
+A17 : C C3p_endo anti
+A18 : G C3p_endo anti
+A19 : A C3p_endo anti
+A20 : G C3p_endo anti
+A21 : A C2p_exo anti
+A22 : G C3p_endo anti
+A23 : A C3p_endo anti
+A24 : C C3p_endo anti
+A25 : C C3p_exo anti
+A26 : G C3p_endo anti
+A27 : G C3p_endo anti
+A28 : A C3p_endo anti
+A29 : G C3p_endo anti
+A30 : A C3p_endo anti
+A31 : U C2p_endo anti
+A32 : A C3p_exo anti
+A33 : U C3p_endo anti
+A34 : C C3p_endo anti
+A35 : A C3p_endo anti
+A36 : C C3p_endo anti
+A37 : C C3p_endo anti
+A38 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+A22-A23 : adjacent_5p upward 
+A23-A24 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+A27-A28 : adjacent_5p upward 
+A28-A29 : adjacent_5p upward 
+A29-A30 : adjacent_5p upward 
+A32-A33 : adjacent_5p upward 
+A34-A35 : adjacent_5p upward 
+A35-A36 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A5-A35 : outward 
+A8-A29 : outward 
+A9-A28 : outward 
+A18-A22 : outward 
+Number of stackings = 25
+Number of adjacent stackings = 21
+Number of non adjacent stackings = 4
+Base-pairs ------------------------------------------------------
+A1-A38 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A37 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A36 : G-C Ww/Ww pairing antiparallel cis XIX 
+A4-A35 : U-A Ww/Ww pairing antiparallel cis XX 
+A5-A34 : G-C Ww/Ww pairing antiparallel cis XIX 
+A6-A33 : A-U Ww/Ww pairing antiparallel cis XX 
+A7-A29 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-A28 : U-A Ww/Ww pairing antiparallel cis XX 
+A9-A27 : C-G Ww/Ww pairing antiparallel cis XIX 
+A10-A26 : C-G Ww/Ww pairing antiparallel cis XIX 
+A13-A14 : A-G O2'/Hh adjacent_5p pairing 
+A14-A25 : G-C Ww/Ww pairing antiparallel cis XIX 
+A14-A26 : G-G Bs/O2' pairing 
+A15-A24 : G-C Ww/Ww pairing antiparallel cis XIX 
+A16-A23 : U-A Ww/Ww pairing antiparallel cis XX 
+A17-A22 : C-G Ww/Ww pairing antiparallel cis XIX 
+A18-A20 : G-G O2'/Hh pairing 
+A30-A31 : A-U O2'/Hh adjacent_5p pairing 
+A31-A32 : U-A O2'/C8 adjacent_5p pairing 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : G C3p_endo anti
+A4 : U C3p_endo anti
+A5 : G C3p_endo anti
+A6 : A C2p_endo anti
+A7 : C C3p_endo anti
+A8 : U C3p_endo anti
+A9 : C C3p_endo anti
+A10 : C C3p_endo anti
+A11 : A C2p_exo anti
+A12 : G C3p_exo syn
+A13 : A C2p_endo anti
+A14 : G C2p_exo anti
+A15 : G C3p_endo anti
+A16 : U C3p_endo anti
+A17 : C C3p_endo anti
+A18 : G C3p_endo anti
+A19 : A C3p_endo anti
+A20 : G C3p_endo anti
+A21 : A C2p_exo anti
+A22 : G C3p_endo anti
+A23 : A C3p_endo anti
+A24 : C C3p_endo anti
+A25 : C C3p_exo anti
+A26 : G C2p_exo anti
+A27 : G C2p_exo anti
+A28 : A C3p_endo anti
+A29 : G C3p_endo anti
+A30 : A C3p_endo anti
+A31 : U C2p_endo anti
+A32 : A C3p_exo anti
+A33 : U C3p_endo anti
+A34 : C C3p_endo anti
+A35 : A C3p_endo anti
+A36 : C C3p_endo anti
+A37 : C C3p_endo anti
+A38 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+A22-A23 : adjacent_5p upward 
+A23-A24 : adjacent_5p upward 
+A27-A28 : adjacent_5p upward 
+A28-A29 : adjacent_5p upward 
+A29-A30 : adjacent_5p upward 
+A32-A33 : adjacent_5p upward 
+A33-A34 : adjacent_5p upward 
+A34-A35 : adjacent_5p upward 
+A35-A36 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A5-A35 : outward 
+A8-A29 : outward 
+A18-A22 : outward 
+Number of stackings = 26
+Number of adjacent stackings = 23
+Number of non adjacent stackings = 3
+Base-pairs ------------------------------------------------------
+A1-A38 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A37 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A36 : G-C Ww/Ww pairing antiparallel cis XIX 
+A4-A35 : U-A Ww/Ww pairing antiparallel cis XX 
+A5-A34 : G-C Ww/Ww pairing antiparallel cis XIX 
+A6-A33 : A-U Ww/Ww pairing antiparallel cis XX 
+A7-A29 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-A28 : U-A Ww/Ww pairing antiparallel cis XX 
+A9-A27 : C-G Ww/Ww pairing antiparallel cis XIX 
+A10-A26 : C-G Ww/Ww pairing antiparallel cis XIX 
+A12-A13 : G-A O2'/Ss adjacent_5p pairing 
+A13-A14 : A-G O2'/Hh adjacent_5p pairing 
+A14-A25 : G-C Ww/Ww pairing antiparallel cis XIX 
+A14-A26 : G-G Bs/O2' pairing 
+A15-A24 : G-C Ww/Ww pairing antiparallel cis XIX 
+A16-A23 : U-A Ww/Ww pairing antiparallel cis XX 
+A17-A22 : C-G Ww/Ww pairing antiparallel cis XIX 
+A18-A20 : G-G O2'/Hh pairing 
+A30-A31 : A-U O2'/Hh adjacent_5p pairing 
+A31-A32 : U-A O2'/C8 adjacent_5p pairing 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : G C3p_endo anti
+A4 : U C3p_endo anti
+A5 : G C3p_endo anti
+A6 : A C2p_endo anti
+A7 : C C3p_endo anti
+A8 : U C3p_endo anti
+A9 : C C3p_endo anti
+A10 : C C3p_endo anti
+A11 : A C3p_endo anti
+A12 : G C1p_exo anti
+A13 : A C3p_exo anti
+A14 : G C3p_endo anti
+A15 : G C3p_endo anti
+A16 : U C3p_endo anti
+A17 : C C3p_endo anti
+A18 : G C4p_exo anti
+A19 : A C3p_endo anti
+A20 : G C2p_exo anti
+A21 : A C3p_endo anti
+A22 : G C3p_endo anti
+A23 : A C3p_endo anti
+A24 : C C3p_endo anti
+A25 : C C3p_exo anti
+A26 : G C2p_exo anti
+A27 : G C3p_endo anti
+A28 : A C3p_endo anti
+A29 : G C3p_endo anti
+A30 : A C3p_endo anti
+A31 : U C3p_endo anti
+A32 : A C4p_exo anti
+A33 : U C3p_endo anti
+A34 : C C3p_endo anti
+A35 : A C3p_endo anti
+A36 : C C3p_endo anti
+A37 : C C3p_endo anti
+A38 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A22-A23 : adjacent_5p upward 
+A23-A24 : adjacent_5p upward 
+A24-A25 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+A27-A28 : adjacent_5p upward 
+A28-A29 : adjacent_5p upward 
+A29-A30 : adjacent_5p upward 
+A32-A33 : adjacent_5p upward 
+A33-A34 : adjacent_5p upward 
+A35-A36 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A5-A35 : outward 
+A9-A28 : outward 
+A11-A26 : outward 
+A18-A20 : upward pairing 
+A18-A22 : outward 
+Number of stackings = 24
+Number of adjacent stackings = 19
+Number of non adjacent stackings = 5
+Base-pairs ------------------------------------------------------
+A1-A38 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A37 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A36 : G-C Ww/Ww pairing antiparallel cis XIX 
+A4-A35 : U-A Ww/Ww pairing antiparallel cis XX 
+A5-A34 : G-C Ww/Ww pairing antiparallel cis XIX 
+A6-A33 : A-U Ww/Ww pairing antiparallel cis XX 
+A7-A29 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-A28 : U-A Ww/Ww pairing antiparallel cis XX 
+A9-A27 : C-G Ww/Ww pairing antiparallel cis XIX 
+A10-A26 : C-G Ww/Ww pairing antiparallel cis XIX 
+A12-A14 : G-G Hh/O2' pairing 
+A13-A14 : A-G O2'/Hh adjacent_5p pairing 
+A14-A25 : G-C Ww/Ww pairing antiparallel cis XIX 
+A14-A26 : G-G Bs/O2' pairing 
+A15-A24 : G-C Ww/Ww pairing antiparallel cis XIX 
+A16-A23 : U-A Ww/Ww pairing antiparallel cis XX 
+A17-A22 : C-G Ww/Ww pairing antiparallel cis XIX 
+A18-A20 : G-G O2'/Hh upward pairing 
+A19-A20 : A-G O2P/Hh adjacent_5p pairing 
+A31-A32 : U-A O2'/C8 adjacent_5p pairing 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : G C3p_endo anti
+A4 : U C3p_endo anti
+A5 : G C3p_endo anti
+A6 : A C2p_endo anti
+A7 : C C3p_endo anti
+A8 : U C3p_endo anti
+A9 : C C3p_endo anti
+A10 : C C3p_endo anti
+A11 : A C2p_exo anti
+A12 : G C1p_exo syn
+A13 : A C3p_exo anti
+A14 : G C3p_endo anti
+A15 : G C3p_endo anti
+A16 : U C3p_endo anti
+A17 : C C3p_endo anti
+A18 : G C4p_exo anti
+A19 : A C4p_exo anti
+A20 : G C3p_endo anti
+A21 : A C3p_endo anti
+A22 : G C3p_endo anti
+A23 : A C3p_endo anti
+A24 : C C3p_endo anti
+A25 : C C3p_exo anti
+A26 : G C3p_endo anti
+A27 : G C3p_endo anti
+A28 : A C3p_endo anti
+A29 : G C3p_endo anti
+A30 : A C3p_endo anti
+A31 : U C3p_endo anti
+A32 : A C3p_exo syn
+A33 : U C3p_endo anti
+A34 : C C3p_endo anti
+A35 : A C3p_endo anti
+A36 : C C3p_endo anti
+A37 : C C3p_endo anti
+A38 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward pairing 
+A20-A21 : adjacent_5p upward 
+A22-A23 : adjacent_5p upward 
+A23-A24 : adjacent_5p upward 
+A24-A25 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+A27-A28 : adjacent_5p upward 
+A28-A29 : adjacent_5p upward 
+A29-A30 : adjacent_5p upward 
+A32-A33 : adjacent_5p upward 
+A34-A35 : adjacent_5p upward 
+A35-A36 : adjacent_5p upward 
+A36-A37 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A5-A35 : outward 
+A9-A28 : outward 
+A11-A26 : outward 
+A18-A22 : outward 
+Number of stackings = 25
+Number of adjacent stackings = 21
+Number of non adjacent stackings = 4
+Base-pairs ------------------------------------------------------
+A1-A38 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A37 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A36 : G-C Ww/Ww pairing antiparallel cis XIX 
+A4-A35 : U-A Ww/Ww pairing antiparallel cis XX 
+A5-A34 : G-C Ww/Ww pairing antiparallel cis XIX 
+A6-A33 : A-U Ww/Ww pairing antiparallel cis XX 
+A7-A29 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-A28 : U-A Ww/Ww pairing antiparallel cis XX 
+A9-A27 : C-G Ww/Ww pairing antiparallel cis XIX 
+A10-A26 : C-G Ww/Ww pairing antiparallel cis XIX 
+A12-A14 : G-G Hh/O2' pairing 
+A13-A14 : A-G O2'/Hh adjacent_5p pairing 
+A13-A26 : A-G Wh/Ss pairing parallel trans one_hbond 
+A14-A25 : G-C Ww/Ww pairing antiparallel cis XIX 
+A15-A24 : G-C Ww/Ww pairing antiparallel cis XIX 
+A16-A23 : U-A Ww/Ww pairing antiparallel cis XX 
+A17-A22 : C-G Ww/Ww pairing antiparallel cis XIX 
+A18-A20 : G-G O2'/Hh pairing 
+A19-A20 : A-G O2P/Hh adjacent_5p upward pairing 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : G C3p_endo anti
+A4 : U C3p_endo anti
+A5 : G C3p_endo anti
+A6 : A C2p_endo anti
+A7 : C C3p_endo anti
+A8 : U C3p_endo anti
+A9 : C C3p_endo anti
+A10 : C C3p_endo anti
+A11 : A C2p_exo anti
+A12 : G C1p_exo anti
+A13 : A C2p_endo anti
+A14 : G C3p_endo anti
+A15 : G C3p_endo anti
+A16 : U C3p_endo anti
+A17 : C C3p_endo anti
+A18 : G C3p_endo anti
+A19 : A C3p_endo anti
+A20 : G C3p_endo anti
+A21 : A C3p_endo anti
+A22 : G C3p_endo anti
+A23 : A C3p_endo anti
+A24 : C C3p_endo anti
+A25 : C C3p_exo anti
+A26 : G C2p_exo anti
+A27 : G C2p_exo anti
+A28 : A C3p_endo anti
+A29 : G C3p_endo anti
+A30 : A C3p_endo anti
+A31 : U C4p_exo anti
+A32 : A C4p_exo anti
+A33 : U C3p_endo anti
+A34 : C C3p_endo anti
+A35 : A C3p_endo anti
+A36 : C C3p_endo anti
+A37 : C C3p_endo anti
+A38 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+A22-A23 : adjacent_5p upward 
+A23-A24 : adjacent_5p upward 
+A24-A25 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+A27-A28 : adjacent_5p upward 
+A28-A29 : adjacent_5p upward 
+A29-A30 : adjacent_5p upward 
+A31-A32 : adjacent_5p upward 
+A32-A33 : adjacent_5p upward 
+A33-A34 : adjacent_5p upward 
+A35-A36 : adjacent_5p upward 
+A36-A37 : adjacent_5p upward 
+A37-A38 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A5-A35 : outward 
+A11-A26 : outward 
+A18-A22 : outward 
+Number of stackings = 28
+Number of adjacent stackings = 25
+Number of non adjacent stackings = 3
+Base-pairs ------------------------------------------------------
+A1-A38 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A37 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A36 : G-C Ww/Ww pairing antiparallel cis XIX 
+A4-A35 : U-A Ww/Ww pairing antiparallel cis XX 
+A5-A34 : G-C Ww/Ww pairing antiparallel cis XIX 
+A6-A33 : A-U Ww/Ww pairing antiparallel cis XX 
+A7-A29 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-A28 : U-A Ww/Ww pairing antiparallel cis XX 
+A9-A27 : C-G Ww/Ww pairing antiparallel cis XIX 
+A10-A26 : C-G Ww/Ww pairing antiparallel cis XIX 
+A12-A27 : G-G Hh/O2' pairing 
+A13-A14 : A-G O2'/Hh adjacent_5p pairing 
+A13-A26 : A-G Ww/O2' pairing 
+A14-A25 : G-C Ww/Ww pairing antiparallel cis XIX 
+A14-A26 : G-G Bs/O2' pairing 
+A15-A24 : G-C Ww/Ww pairing antiparallel cis XIX 
+A16-A23 : U-A Ww/Ww pairing antiparallel cis XX 
+A17-A22 : C-G Ww/Ww pairing antiparallel cis XIX 
+A18-A20 : G-G O2'/Hh pairing 
+A30-A32 : A-A O2'/Hh pairing 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : G C3p_endo anti
+A4 : U C3p_endo anti
+A5 : G C3p_endo anti
+A6 : A C2p_endo anti
+A7 : C C3p_endo anti
+A8 : U C3p_endo anti
+A9 : C C3p_endo anti
+A10 : C C3p_endo anti
+A11 : A C2p_exo anti
+A12 : G C1p_exo anti
+A13 : A C2p_endo anti
+A14 : G C3p_endo anti
+A15 : G C3p_endo anti
+A16 : U C3p_endo anti
+A17 : C C3p_endo anti
+A18 : G C3p_endo anti
+A19 : A C3p_endo anti
+A20 : G C3p_endo anti
+A21 : A C2p_exo anti
+A22 : G C3p_endo anti
+A23 : A C3p_endo anti
+A24 : C C3p_endo anti
+A25 : C C3p_exo anti
+A26 : G C2p_exo anti
+A27 : G C2p_exo anti
+A28 : A C3p_endo anti
+A29 : G C3p_endo anti
+A30 : A C3p_endo anti
+A31 : U C3p_endo anti
+A32 : A C3p_exo syn
+A33 : U C3p_endo anti
+A34 : C C3p_endo anti
+A35 : A C3p_endo anti
+A36 : C C3p_endo anti
+A37 : C C3p_endo anti
+A38 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+A22-A23 : adjacent_5p upward 
+A23-A24 : adjacent_5p upward 
+A24-A25 : adjacent_5p upward 
+A27-A28 : adjacent_5p upward 
+A28-A29 : adjacent_5p upward 
+A29-A30 : adjacent_5p upward 
+A32-A33 : adjacent_5p upward 
+A33-A34 : adjacent_5p upward 
+A34-A35 : adjacent_5p upward 
+A35-A36 : adjacent_5p upward 
+A37-A38 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A5-A35 : outward 
+A7-A30 : outward 
+A9-A28 : outward 
+A11-A26 : outward 
+A18-A22 : outward 
+Number of stackings = 27
+Number of adjacent stackings = 22
+Number of non adjacent stackings = 5
+Base-pairs ------------------------------------------------------
+A1-A38 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A37 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A36 : G-C Ww/Ww pairing antiparallel cis XIX 
+A4-A35 : U-A Ww/Ww pairing antiparallel cis XX 
+A5-A34 : G-C Ww/Ww pairing antiparallel cis XIX 
+A6-A33 : A-U Ww/Ww pairing antiparallel cis XX 
+A7-A29 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-A28 : U-A Ww/Ww pairing antiparallel cis XX 
+A9-A27 : C-G Ww/Ww pairing antiparallel cis XIX 
+A10-A26 : C-G Ww/Ww pairing antiparallel cis XIX 
+A13-A14 : A-G O2'/Hh adjacent_5p pairing 
+A13-A26 : A-G Ww/O2' pairing 
+A14-A25 : G-C Ww/Ww pairing antiparallel cis XIX 
+A14-A26 : G-G Bs/O2' pairing 
+A15-A24 : G-C Ww/Ww pairing antiparallel cis XIX 
+A16-A23 : U-A Ww/Ww pairing antiparallel cis XX 
+A17-A22 : C-G Ww/Ww pairing antiparallel cis XIX 
+A18-A20 : G-G O2'/Hh pairing 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : G C3p_endo anti
+A4 : U C3p_endo anti
+A5 : G C3p_endo anti
+A6 : A C2p_endo anti
+A7 : C C3p_endo anti
+A8 : U C3p_endo anti
+A9 : C C3p_endo anti
+A10 : C C3p_endo anti
+A11 : A C3p_endo anti
+A12 : G C1p_exo syn
+A13 : A C2p_endo anti
+A14 : G C2p_exo anti
+A15 : G C3p_endo anti
+A16 : U C3p_endo anti
+A17 : C C3p_endo anti
+A18 : G C3p_endo anti
+A19 : A C3p_endo anti
+A20 : G C3p_endo anti
+A21 : A C3p_endo anti
+A22 : G C3p_endo anti
+A23 : A C3p_endo anti
+A24 : C C3p_endo anti
+A25 : C C3p_exo anti
+A26 : G C2p_exo anti
+A27 : G C3p_endo anti
+A28 : A C3p_endo anti
+A29 : G C3p_endo anti
+A30 : A C3p_endo anti
+A31 : U C4p_exo anti
+A32 : A C4p_exo anti
+A33 : U C3p_endo anti
+A34 : C C3p_endo anti
+A35 : A C3p_endo anti
+A36 : C C3p_endo anti
+A37 : C C3p_endo anti
+A38 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+A22-A23 : adjacent_5p upward 
+A23-A24 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+A27-A28 : adjacent_5p upward 
+A28-A29 : adjacent_5p upward 
+A29-A30 : adjacent_5p upward 
+A31-A32 : adjacent_5p upward 
+A32-A33 : adjacent_5p upward 
+A33-A34 : adjacent_5p upward 
+A35-A36 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A5-A35 : outward 
+A7-A30 : outward 
+A18-A22 : outward 
+Number of stackings = 24
+Number of adjacent stackings = 21
+Number of non adjacent stackings = 3
+Base-pairs ------------------------------------------------------
+A1-A38 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A37 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A36 : G-C Ww/Ww pairing antiparallel cis XIX 
+A4-A35 : U-A Ww/Ww pairing antiparallel cis XX 
+A5-A34 : G-C Ww/Ww pairing antiparallel cis XIX 
+A6-A33 : A-U Ww/Ww pairing antiparallel cis XX 
+A7-A29 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-A28 : U-A Ww/Ww pairing antiparallel cis XX 
+A9-A27 : C-G Ww/Ww pairing antiparallel cis XIX 
+A10-A26 : C-G Ww/Ww pairing antiparallel cis XIX 
+A12-A13 : G-A O2'/Ss adjacent_5p pairing 
+A13-A14 : A-G O2'/Hh adjacent_5p pairing 
+A13-A26 : A-G Ww/O2' pairing 
+A14-A25 : G-C Ww/Ww pairing antiparallel cis XIX 
+A14-A26 : G-G Bs/O2' pairing 
+A15-A24 : G-C Ww/Ww pairing antiparallel cis XIX 
+A16-A23 : U-A Ww/Ww pairing antiparallel cis XX 
+A17-A22 : C-G Ww/Ww pairing antiparallel cis XIX 
+A18-A20 : G-G O2'/Hh pairing 
diff --git a/MCdata/1a9n_MC b/MCdata/1a9n_MC
new file mode 100644
index 0000000000000000000000000000000000000000..fb219792900a1ac3c9a47590547b012d61899d81
--- /dev/null
+++ b/MCdata/1a9n_MC
@@ -0,0 +1,621 @@
+Residue conformations -------------------------------------------
+Q0 : C C3p_endo anti
+Q1 : C C3p_endo anti
+Q2 : U C1p_endo anti
+Q3 : G C2p_exo anti
+Q4 : G C3p_endo anti
+Q5 : U C3p_endo anti
+Q6 : A C3p_endo anti
+Q7 : U C3p_endo anti
+Q8 : U C2p_endo anti
+Q9 : G C3p_endo anti
+Q10 : C C3p_exo anti
+Q11 : A C3p_endo anti
+Q12 : G C2p_endo syn
+Q13 : U C2p_endo anti
+Q14 : A C1p_endo anti
+Q15 : C C3p_endo anti
+Q16 : C C1p_exo anti
+Q17 : U C3p_endo anti
+Q18 : C C3p_endo anti
+Q19 : C C3p_endo anti
+Q20 : A C3p_endo anti
+Q21 : G C3p_endo anti
+Q22 : G C3p_endo anti
+Q23 : U C2p_exo anti
+R0 : C C3p_endo anti
+R1 : C C3p_endo anti
+R2 : U C1p_endo anti
+R3 : G C2p_exo anti
+R4 : G C3p_endo anti
+R5 : U C3p_endo anti
+R6 : A C3p_endo anti
+R7 : U C3p_endo anti
+R8 : U C2p_endo anti
+R9 : G C3p_endo anti
+R10 : C C3p_exo anti
+R11 : A C3p_endo anti
+R12 : G C1p_exo syn
+R13 : U C2p_endo anti
+R14 : A C1p_endo anti
+R15 : C C3p_endo anti
+R16 : C C2p_endo anti
+R17 : U C3p_endo anti
+R18 : C C3p_endo anti
+R19 : C C3p_endo anti
+R20 : A C3p_endo anti
+R21 : G C3p_endo anti
+R22 : G C3p_endo anti
+R23 : U C1p_endo anti
+A2 : VAL
+A3 : LYS
+A4 : LEU
+A5 : THR
+A6 : ALA
+A7 : GLU
+A8 : LEU
+A9 : ILE
+A10 : GLU
+A11 : GLN
+A12 : ALA
+A13 : ALA
+A14 : GLN
+A15 : TYR
+A16 : THR
+A17 : ASN
+A18 : ALA
+A19 : VAL
+A20 : ARG
+A21 : ASP
+A22 : ARG
+A23 : GLU
+A24 : LEU
+A25 : ASP
+A26 : LEU
+A27 : ARG
+A28 : GLY
+A29 : TYR
+A30 : LYS
+A31 : ILE
+A32 : PRO
+A33 : VAL
+A34 : ILE
+A35 : GLU
+A36 : ASN
+A37 : LEU
+A38 : GLY
+A39 : ALA
+A40 : THR
+A41 : LEU
+A42 : ASP
+A43 : GLN
+A44 : PHE
+A45 : ASP
+A46 : ALA
+A47 : ILE
+A48 : ASP
+A49 : PHE
+A50 : SER
+A51 : ASP
+A52 : ASN
+A53 : GLU
+A54 : ILE
+A55 : ARG
+A56 : LYS
+A57 : LEU
+A58 : ASP
+A59 : GLY
+A60 : PHE
+A61 : PRO
+A62 : LEU
+A63 : LEU
+A64 : ARG
+A65 : ARG
+A66 : LEU
+A67 : LYS
+A68 : THR
+A69 : LEU
+A70 : LEU
+A71 : VAL
+A72 : ASN
+A73 : ASN
+A74 : ASN
+A75 : ARG
+A76 : ILE
+A77 : CYS
+A78 : ARG
+A79 : ILE
+A80 : GLY
+A81 : GLU
+A82 : GLY
+A83 : LEU
+A84 : ASP
+A85 : GLN
+A86 : ALA
+A87 : LEU
+A88 : PRO
+A89 : ASP
+A90 : LEU
+A91 : THR
+A92 : GLU
+A93 : LEU
+A94 : ILE
+A95 : LEU
+A96 : THR
+A97 : ASN
+A98 : ASN
+A99 : SER
+A100 : LEU
+A101 : VAL
+A102 : GLU
+A103 : LEU
+A104 : GLY
+A105 : ASP
+A106 : LEU
+A107 : ASP
+A108 : PRO
+A109 : LEU
+A110 : ALA
+A111 : SER
+A112 : LEU
+A113 : LYS
+A114 : SER
+A115 : LEU
+A116 : THR
+A117 : TYR
+A118 : LEU
+A119 : CYS
+A120 : ILE
+A121 : LEU
+A122 : ARG
+A123 : ASN
+A124 : PRO
+A125 : VAL
+A126 : THR
+A127 : ASN
+A128 : LYS
+A129 : LYS
+A130 : HIS
+A131 : TYR
+A132 : ARG
+A133 : LEU
+A134 : TYR
+A135 : VAL
+A136 : ILE
+A137 : TYR
+A138 : LYS
+A139 : VAL
+A140 : PRO
+A141 : GLN
+A142 : VAL
+A143 : ARG
+A144 : VAL
+A145 : LEU
+A146 : ASP
+A147 : PHE
+A148 : GLN
+A149 : LYS
+A150 : VAL
+A151 : LYS
+A152 : LEU
+A153 : LYS
+A154 : GLU
+A155 : ARG
+A156 : GLN
+A157 : GLU
+A158 : ALA
+A159 : GLU
+A160 : LYS
+A161 : MET
+A162 : PHE
+A163 : LYS
+C2 : VAL
+C3 : LYS
+C4 : LEU
+C5 : THR
+C6 : ALA
+C7 : GLU
+C8 : LEU
+C9 : ILE
+C10 : GLU
+C11 : GLN
+C12 : ALA
+C13 : ALA
+C14 : GLN
+C15 : TYR
+C16 : THR
+C17 : ASN
+C18 : ALA
+C19 : VAL
+C20 : ARG
+C21 : ASP
+C22 : ARG
+C23 : GLU
+C24 : LEU
+C25 : ASP
+C26 : LEU
+C27 : ARG
+C28 : GLY
+C29 : TYR
+C30 : LYS
+C31 : ILE
+C32 : PRO
+C33 : VAL
+C34 : ILE
+C35 : GLU
+C36 : ASN
+C37 : LEU
+C38 : GLY
+C39 : ALA
+C40 : THR
+C41 : LEU
+C42 : ASP
+C43 : GLN
+C44 : PHE
+C45 : ASP
+C46 : ALA
+C47 : ILE
+C48 : ASP
+C49 : PHE
+C50 : SER
+C51 : ASP
+C52 : ASN
+C53 : GLU
+C54 : ILE
+C55 : ARG
+C56 : LYS
+C57 : LEU
+C58 : ASP
+C59 : GLY
+C60 : PHE
+C61 : PRO
+C62 : LEU
+C63 : LEU
+C64 : ARG
+C65 : ARG
+C66 : LEU
+C67 : LYS
+C68 : THR
+C69 : LEU
+C70 : LEU
+C71 : VAL
+C72 : ASN
+C73 : ASN
+C74 : ASN
+C75 : ARG
+C76 : ILE
+C77 : CYS
+C78 : ARG
+C79 : ILE
+C80 : GLY
+C81 : GLU
+C82 : GLY
+C83 : LEU
+C84 : ASP
+C85 : GLN
+C86 : ALA
+C87 : LEU
+C88 : PRO
+C89 : ASP
+C90 : LEU
+C91 : THR
+C92 : GLU
+C93 : LEU
+C94 : ILE
+C95 : LEU
+C96 : THR
+C97 : ASN
+C98 : ASN
+C99 : SER
+C100 : LEU
+C101 : VAL
+C102 : GLU
+C103 : LEU
+C104 : GLY
+C105 : ASP
+C106 : LEU
+C107 : ASP
+C108 : PRO
+C109 : LEU
+C110 : ALA
+C111 : SER
+C112 : LEU
+C113 : LYS
+C114 : SER
+C115 : LEU
+C116 : THR
+C117 : TYR
+C118 : LEU
+C119 : CYS
+C120 : ILE
+C121 : LEU
+C122 : ARG
+C123 : ASN
+C124 : PRO
+C125 : VAL
+C126 : THR
+C127 : ASN
+C128 : LYS
+C129 : LYS
+C130 : HIS
+C131 : TYR
+C132 : ARG
+C133 : LEU
+C134 : TYR
+C135 : VAL
+C136 : ILE
+C137 : TYR
+C138 : LYS
+C139 : VAL
+C140 : PRO
+C141 : GLN
+C142 : VAL
+C143 : ARG
+C144 : VAL
+C145 : LEU
+C146 : ASP
+C147 : PHE
+C148 : GLN
+C149 : LYS
+C150 : VAL
+C151 : LYS
+C152 : LEU
+C153 : LYS
+C154 : GLU
+C155 : ARG
+C156 : GLN
+C157 : GLU
+C158 : ALA
+C159 : GLU
+C160 : LYS
+C161 : MET
+C162 : PHE
+C163 : LYS
+C164 : GLY
+C165 : LYS
+C166 : ARG
+C167 : GLY
+C168 : ALA
+C169 : GLN
+C170 : LEU
+C171 : ALA
+C172 : LYS
+C173 : ASP
+C174 : ILE
+C175 : ALA
+B6 : ILE
+B7 : ARG
+B8 : PRO
+B9 : ASN
+B10 : HIS
+B11 : THR
+B12 : ILE
+B13 : TYR
+B14 : ILE
+B15 : ASN
+B16 : ASN
+B17 : MET
+B18 : ASN
+B19 : ASP
+B20 : LYS
+B21 : ILE
+B22 : LYS
+B23 : LYS
+B24 : GLU
+B25 : GLU
+B26 : LEU
+B27 : LYS
+B28 : ARG
+B29 : SER
+B30 : LEU
+B31 : TYR
+B32 : ALA
+B33 : LEU
+B34 : PHE
+B35 : SER
+B36 : GLN
+B37 : PHE
+B38 : GLY
+B39 : HIS
+B40 : VAL
+B41 : VAL
+B42 : ASP
+B43 : ILE
+B44 : VAL
+B45 : ALA
+B46 : LEU
+B47 : LYS
+B48 : THR
+B49 : MET
+B50 : LYS
+B51 : MET
+B52 : ARG
+B53 : GLY
+B54 : GLN
+B55 : ALA
+B56 : PHE
+B57 : VAL
+B58 : ILE
+B59 : PHE
+B60 : LYS
+B61 : GLU
+B62 : LEU
+B63 : GLY
+B64 : SER
+B65 : SER
+B66 : THR
+B67 : ASN
+B68 : ALA
+B69 : LEU
+B70 : ARG
+B71 : GLN
+B72 : LEU
+B73 : GLN
+B74 : GLY
+B75 : PHE
+B76 : PRO
+B77 : PHE
+B78 : TYR
+B79 : GLY
+B80 : LYS
+B81 : PRO
+B82 : MET
+B83 : ARG
+B84 : ILE
+B85 : GLN
+B86 : TYR
+B87 : ALA
+B88 : LYS
+B89 : THR
+B90 : ASP
+B91 : SER
+B92 : ASP
+B93 : ILE
+B94 : ILE
+B95 : SER
+B96 : LYS
+B97 : MET
+B98 : ARG
+B99 : GLY
+D6 : ILE
+D7 : ARG
+D8 : PRO
+D9 : ASN
+D10 : HIS
+D11 : THR
+D12 : ILE
+D13 : TYR
+D14 : ILE
+D15 : ASN
+D16 : ASN
+D17 : MET
+D18 : ASN
+D19 : ASP
+D20 : LYS
+D21 : ILE
+D22 : LYS
+D23 : LYS
+D24 : GLU
+D25 : GLU
+D26 : LEU
+D27 : LYS
+D28 : ARG
+D29 : SER
+D30 : LEU
+D31 : TYR
+D32 : ALA
+D33 : LEU
+D34 : PHE
+D35 : SER
+D36 : GLN
+D37 : PHE
+D38 : GLY
+D39 : HIS
+D40 : VAL
+D41 : VAL
+D42 : ASP
+D43 : ILE
+D44 : VAL
+D45 : ALA
+D46 : LEU
+D47 : LYS
+D48 : THR
+D49 : MET
+D50 : LYS
+D51 : MET
+D52 : ARG
+D53 : GLY
+D54 : GLN
+D55 : ALA
+D56 : PHE
+D57 : VAL
+D58 : ILE
+D59 : PHE
+D60 : LYS
+D61 : GLU
+D62 : LEU
+D63 : GLY
+D64 : SER
+D65 : SER
+D66 : THR
+D67 : ASN
+D68 : ALA
+D69 : LEU
+D70 : ARG
+D71 : GLN
+D72 : LEU
+D73 : GLN
+D74 : GLY
+D75 : PHE
+D76 : PRO
+D77 : PHE
+D78 : TYR
+D79 : GLY
+D80 : LYS
+D81 : PRO
+D82 : MET
+D83 : ARG
+D84 : ILE
+D85 : GLN
+D86 : TYR
+D87 : ALA
+D88 : LYS
+D89 : THR
+D90 : ASP
+D91 : SER
+D92 : ASP
+D93 : ILE
+D94 : ILE
+D95 : SER
+D96 : LYS
+D97 : MET
+D98 : ARG
+Adjacent stackings ----------------------------------------------
+Q0-Q1 : adjacent_5p upward 
+Q1-Q2 : adjacent_5p upward 
+Q3-Q4 : adjacent_5p upward 
+Q4-Q5 : adjacent_5p upward 
+Q6-Q7 : adjacent_5p upward 
+Q11-Q12 : adjacent_5p inward 
+Q14-Q15 : adjacent_5p upward 
+Q15-Q16 : adjacent_5p upward 
+Q17-Q18 : adjacent_5p upward 
+Q19-Q20 : adjacent_5p upward 
+Q20-Q21 : adjacent_5p upward 
+Q21-Q22 : adjacent_5p upward 
+Q22-Q23 : adjacent_5p upward 
+R0-R1 : adjacent_5p upward 
+R1-R2 : adjacent_5p upward 
+R2-R3 : adjacent_5p upward 
+R3-R4 : adjacent_5p upward 
+R4-R5 : adjacent_5p upward 
+R6-R7 : adjacent_5p upward 
+R11-R12 : adjacent_5p inward 
+R14-R15 : adjacent_5p upward 
+R15-R16 : adjacent_5p upward 
+R17-R18 : adjacent_5p upward 
+R19-R20 : adjacent_5p upward 
+R20-R21 : adjacent_5p upward 
+R21-R22 : adjacent_5p upward 
+R22-R23 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Q3-Q20 : outward 
+Q6-Q17 : outward 
+R3-R20 : outward 
+R6-R17 : outward 
+Number of stackings = 31
+Number of adjacent stackings = 27
+Number of non adjacent stackings = 4
+Base-pairs ------------------------------------------------------
+Q0-Q22 : C-G Ww/Ww pairing antiparallel cis XIX 
+Q1-Q21 : C-G Ww/Ww pairing antiparallel cis XIX 
+Q2-Q20 : U-A Ww/Ww pairing antiparallel cis XX 
+Q3-Q19 : G-C Ww/Ww pairing antiparallel cis XIX 
+Q4-Q18 : G-C Ww/Ww pairing antiparallel cis XIX 
+Q5-Q17 : U-U Ws/Ww pairing antiparallel cis XVI 
+R0-R22 : C-G Ww/Ww pairing antiparallel cis XIX 
+R1-R21 : C-G Ww/Ww pairing antiparallel cis XIX 
+R2-R20 : U-A Ww/Ww pairing antiparallel cis XX 
+R3-R19 : G-C Ww/Ww pairing antiparallel cis XIX 
+R4-R18 : G-C Ww/Ww pairing antiparallel cis XIX 
+R5-R17 : U-U Ws/Ww pairing antiparallel cis XVI 
diff --git a/MCdata/1ac3_MC b/MCdata/1ac3_MC
new file mode 100644
index 0000000000000000000000000000000000000000..edd00a909d1e32d031dc4befcb1564a91a157aaa
--- /dev/null
+++ b/MCdata/1ac3_MC
@@ -0,0 +1,497 @@
+Residue conformations -------------------------------------------
+A1 : C O4p_endo anti
+A2 : G C1p_exo anti
+A3 : C O4p_endo anti
+A4 : G O4p_endo anti
+A5 : T O4p_endo anti
+A6 : TSP
+A7 : TCP
+A8 : T O4p_endo anti
+A9 : G O4p_endo anti
+A10 : C O4p_endo anti
+A11 : G O4p_endo anti
+A12 : C O4p_endo anti
+B13 : G C4p_exo anti
+B14 : C C3p_endo anti
+B15 : G C3p_endo anti
+B16 : C C3p_endo anti
+B17 : A C3p_endo anti
+B18 : A C3p_endo anti
+B19 : A C3p_endo anti
+B20 : A C3p_endo anti
+B21 : C C3p_endo anti
+B22 : G C3p_endo anti
+B23 : C C3p_endo anti
+B24 : G O4p_endo anti
+Adjacent stackings ----------------------------------------------
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+B13-B14 : adjacent_5p upward 
+B14-B15 : adjacent_5p upward 
+B15-B16 : adjacent_5p upward 
+B16-B17 : adjacent_5p upward 
+B17-B18 : adjacent_5p upward 
+B18-B19 : adjacent_5p upward 
+B19-B20 : adjacent_5p upward 
+B20-B21 : adjacent_5p upward 
+B21-B22 : adjacent_5p upward 
+B22-B23 : adjacent_5p upward 
+B23-B24 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A2-B24 : outward 
+A4-B22 : outward 
+A9-B17 : outward 
+A11-B15 : outward 
+Number of stackings = 21
+Number of adjacent stackings = 17
+Number of non adjacent stackings = 4
+Base-pairs ------------------------------------------------------
+A1-B24 : C-G Ww/Ww pairing antiparallel cis XIX 
+A2-B23 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-B22 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-B21 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-B20 : T-A Ww/Ww pairing antiparallel cis 
+A8-B17 : T-A Ww/Ww pairing antiparallel cis 
+A9-B16 : G-C Ww/Ww pairing antiparallel cis XIX 
+A10-B15 : C-G Ww/Ww pairing antiparallel cis XIX 
+A11-B14 : G-C Ww/Ww pairing antiparallel cis XIX 
+A12-B13 : C-G Ww/Ww pairing antiparallel cis XIX 
+Residue conformations -------------------------------------------
+A1 : C O4p_endo anti
+A2 : G C1p_exo anti
+A3 : C O4p_endo anti
+A4 : G O4p_endo anti
+A5 : T O4p_endo anti
+A6 : TSP
+A7 : TCP
+A8 : T O4p_endo anti
+A9 : G O4p_endo anti
+A10 : C O4p_endo anti
+A11 : G O4p_endo anti
+A12 : C O4p_endo anti
+B13 : G C4p_exo anti
+B14 : C C3p_endo anti
+B15 : G C3p_endo anti
+B16 : C C3p_endo anti
+B17 : A C3p_endo anti
+B18 : A C3p_endo anti
+B19 : A C3p_endo anti
+B20 : A C3p_endo anti
+B21 : C C3p_endo anti
+B22 : G C3p_endo anti
+B23 : C C3p_endo anti
+B24 : G C4p_exo anti
+Adjacent stackings ----------------------------------------------
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+B13-B14 : adjacent_5p upward 
+B14-B15 : adjacent_5p upward 
+B15-B16 : adjacent_5p upward 
+B16-B17 : adjacent_5p upward 
+B17-B18 : adjacent_5p upward 
+B18-B19 : adjacent_5p upward 
+B19-B20 : adjacent_5p upward 
+B20-B21 : adjacent_5p upward 
+B21-B22 : adjacent_5p upward 
+B22-B23 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A2-B24 : outward 
+A4-B22 : outward 
+A9-B17 : outward 
+A11-B15 : outward 
+Number of stackings = 21
+Number of adjacent stackings = 17
+Number of non adjacent stackings = 4
+Base-pairs ------------------------------------------------------
+A1-B24 : C-G Ww/Ww pairing antiparallel cis XIX 
+A2-B23 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-B22 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-B21 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-B20 : T-A Ww/Ww pairing antiparallel cis 
+A8-B17 : T-A Ww/Ww pairing antiparallel cis 
+A9-B16 : G-C Ww/Ww pairing antiparallel cis XIX 
+A10-B15 : C-G Ww/Ww pairing antiparallel cis XIX 
+A11-B14 : G-C Ww/Ww pairing antiparallel cis XIX 
+A12-B13 : C-G Ww/Ww pairing antiparallel cis XIX 
+Residue conformations -------------------------------------------
+A1 : C O4p_endo anti
+A2 : G C1p_exo anti
+A3 : C O4p_endo anti
+A4 : G O4p_endo anti
+A5 : T O4p_endo anti
+A6 : TSP
+A7 : TCP
+A8 : T O4p_endo anti
+A9 : G O4p_endo anti
+A10 : C O4p_endo anti
+A11 : G O4p_endo anti
+A12 : C O4p_endo anti
+B13 : G C4p_exo anti
+B14 : C C3p_endo anti
+B15 : G C3p_endo anti
+B16 : C C3p_endo anti
+B17 : A C3p_endo anti
+B18 : A C3p_endo anti
+B19 : A C3p_endo anti
+B20 : A C3p_endo anti
+B21 : C C3p_endo anti
+B22 : G C3p_endo anti
+B23 : C C3p_endo anti
+B24 : G C4p_exo anti
+Adjacent stackings ----------------------------------------------
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+B13-B14 : adjacent_5p upward 
+B14-B15 : adjacent_5p upward 
+B15-B16 : adjacent_5p upward 
+B16-B17 : adjacent_5p upward 
+B17-B18 : adjacent_5p upward 
+B18-B19 : adjacent_5p upward 
+B19-B20 : adjacent_5p upward 
+B20-B21 : adjacent_5p upward 
+B21-B22 : adjacent_5p upward 
+B22-B23 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A2-B24 : outward 
+A4-B22 : outward 
+A9-B17 : outward 
+A11-B15 : outward 
+Number of stackings = 21
+Number of adjacent stackings = 17
+Number of non adjacent stackings = 4
+Base-pairs ------------------------------------------------------
+A1-B24 : C-G Ww/Ww pairing antiparallel cis XIX 
+A2-B23 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-B22 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-B21 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-B20 : T-A Ww/Ww pairing antiparallel cis 
+A8-B17 : T-A Ww/Ww pairing antiparallel cis 
+A9-B16 : G-C Ww/Ww pairing antiparallel cis XIX 
+A10-B15 : C-G Ww/Ww pairing antiparallel cis XIX 
+A11-B14 : G-C Ww/Ww pairing antiparallel cis XIX 
+A12-B13 : C-G Ww/Ww pairing antiparallel cis XIX 
+Residue conformations -------------------------------------------
+A1 : C O4p_endo anti
+A2 : G C1p_exo anti
+A3 : C O4p_endo anti
+A4 : G O4p_endo anti
+A5 : T O4p_endo anti
+A6 : TSP
+A7 : TCP
+A8 : T O4p_endo anti
+A9 : G O4p_endo anti
+A10 : C O4p_endo anti
+A11 : G O4p_endo anti
+A12 : C O4p_endo anti
+B13 : G C4p_exo anti
+B14 : C C3p_endo anti
+B15 : G C3p_endo anti
+B16 : C C3p_endo anti
+B17 : A C3p_endo anti
+B18 : A C3p_endo anti
+B19 : A C3p_endo anti
+B20 : A C3p_endo anti
+B21 : C C3p_endo anti
+B22 : G C3p_endo anti
+B23 : C C3p_endo anti
+B24 : G C4p_exo anti
+Adjacent stackings ----------------------------------------------
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+B13-B14 : adjacent_5p upward 
+B14-B15 : adjacent_5p upward 
+B15-B16 : adjacent_5p upward 
+B16-B17 : adjacent_5p upward 
+B17-B18 : adjacent_5p upward 
+B18-B19 : adjacent_5p upward 
+B19-B20 : adjacent_5p upward 
+B20-B21 : adjacent_5p upward 
+B21-B22 : adjacent_5p upward 
+B22-B23 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A2-B24 : outward 
+A4-B22 : outward 
+A9-B17 : outward 
+A11-B15 : outward 
+Number of stackings = 21
+Number of adjacent stackings = 17
+Number of non adjacent stackings = 4
+Base-pairs ------------------------------------------------------
+A1-B24 : C-G Ww/Ww pairing antiparallel cis XIX 
+A2-B23 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-B22 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-B21 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-B20 : T-A Ww/Ww pairing antiparallel cis 
+A8-B17 : T-A Ww/Ww pairing antiparallel cis 
+A9-B16 : G-C Ww/Ww pairing antiparallel cis XIX 
+A10-B15 : C-G Ww/Ww pairing antiparallel cis XIX 
+A11-B14 : G-C Ww/Ww pairing antiparallel cis XIX 
+A12-B13 : C-G Ww/Ww pairing antiparallel cis XIX 
+Residue conformations -------------------------------------------
+A1 : C O4p_endo anti
+A2 : G C1p_exo anti
+A3 : C O4p_endo anti
+A4 : G O4p_endo anti
+A5 : T O4p_endo anti
+A6 : TSP
+A7 : TCP
+A8 : T O4p_endo anti
+A9 : G O4p_endo anti
+A10 : C O4p_endo anti
+A11 : G O4p_endo anti
+A12 : C O4p_endo anti
+B13 : G C4p_exo anti
+B14 : C C3p_endo anti
+B15 : G C3p_endo anti
+B16 : C C3p_endo anti
+B17 : A C3p_endo anti
+B18 : A C3p_endo anti
+B19 : A C3p_endo anti
+B20 : A C3p_endo anti
+B21 : C C3p_endo anti
+B22 : G C3p_endo anti
+B23 : C C3p_endo anti
+B24 : G C4p_exo anti
+Adjacent stackings ----------------------------------------------
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+B13-B14 : adjacent_5p upward 
+B14-B15 : adjacent_5p upward 
+B15-B16 : adjacent_5p upward 
+B16-B17 : adjacent_5p upward 
+B17-B18 : adjacent_5p upward 
+B18-B19 : adjacent_5p upward 
+B19-B20 : adjacent_5p upward 
+B20-B21 : adjacent_5p upward 
+B21-B22 : adjacent_5p upward 
+B22-B23 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A2-B24 : outward 
+A4-B22 : outward 
+A9-B17 : outward 
+A11-B15 : outward 
+Number of stackings = 21
+Number of adjacent stackings = 17
+Number of non adjacent stackings = 4
+Base-pairs ------------------------------------------------------
+A1-B24 : C-G Ww/Ww pairing antiparallel cis XIX 
+A2-B23 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-B22 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-B21 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-B20 : T-A Ww/Ww pairing antiparallel cis 
+A8-B17 : T-A Ww/Ww pairing antiparallel cis 
+A9-B16 : G-C Ww/Ww pairing antiparallel cis XIX 
+A10-B15 : C-G Ww/Ww pairing antiparallel cis XIX 
+A11-B14 : G-C Ww/Ww pairing antiparallel cis XIX 
+A12-B13 : C-G Ww/Ww pairing antiparallel cis XIX 
+Residue conformations -------------------------------------------
+A1 : C O4p_endo anti
+A2 : G C1p_exo anti
+A3 : C O4p_endo anti
+A4 : G O4p_endo anti
+A5 : T O4p_endo anti
+A6 : TSP
+A7 : TCP
+A8 : T O4p_endo anti
+A9 : G O4p_endo anti
+A10 : C O4p_endo anti
+A11 : G O4p_endo anti
+A12 : C O4p_endo anti
+B13 : G C4p_exo anti
+B14 : C C3p_endo anti
+B15 : G C3p_endo anti
+B16 : C C3p_endo anti
+B17 : A C3p_endo anti
+B18 : A C3p_endo anti
+B19 : A C3p_endo anti
+B20 : A C3p_endo anti
+B21 : C C3p_endo anti
+B22 : G C3p_endo anti
+B23 : C C3p_endo anti
+B24 : G C4p_exo anti
+Adjacent stackings ----------------------------------------------
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+B13-B14 : adjacent_5p upward 
+B14-B15 : adjacent_5p upward 
+B15-B16 : adjacent_5p upward 
+B16-B17 : adjacent_5p upward 
+B17-B18 : adjacent_5p upward 
+B18-B19 : adjacent_5p upward 
+B19-B20 : adjacent_5p upward 
+B20-B21 : adjacent_5p upward 
+B21-B22 : adjacent_5p upward 
+B22-B23 : adjacent_5p upward 
+B23-B24 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A2-B24 : outward 
+A4-B22 : outward 
+A9-B17 : outward 
+A11-B15 : outward 
+Number of stackings = 21
+Number of adjacent stackings = 17
+Number of non adjacent stackings = 4
+Base-pairs ------------------------------------------------------
+A1-B24 : C-G Ww/Ww pairing antiparallel cis XIX 
+A2-B23 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-B22 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-B21 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-B20 : T-A Ww/Ww pairing antiparallel cis 
+A8-B17 : T-A Ww/Ww pairing antiparallel cis 
+A9-B16 : G-C Ww/Ww pairing antiparallel cis XIX 
+A10-B15 : C-G Ww/Ww pairing antiparallel cis XIX 
+A11-B14 : G-C Ww/Ww pairing antiparallel cis XIX 
+A12-B13 : C-G Ww/Ww pairing antiparallel cis XIX 
+Residue conformations -------------------------------------------
+A1 : C O4p_endo anti
+A2 : G C1p_exo anti
+A3 : C O4p_endo anti
+A4 : G O4p_endo anti
+A5 : T O4p_endo anti
+A6 : TSP
+A7 : TCP
+A8 : T O4p_endo anti
+A9 : G O4p_endo anti
+A10 : C O4p_endo anti
+A11 : G O4p_endo anti
+A12 : C O4p_endo anti
+B13 : G C4p_exo anti
+B14 : C C3p_endo anti
+B15 : G C3p_endo anti
+B16 : C C3p_endo anti
+B17 : A C3p_endo anti
+B18 : A C3p_endo anti
+B19 : A C3p_endo anti
+B20 : A C3p_endo anti
+B21 : C C3p_endo anti
+B22 : G C3p_endo anti
+B23 : C C3p_endo anti
+B24 : G C4p_exo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+B13-B14 : adjacent_5p upward 
+B14-B15 : adjacent_5p upward 
+B15-B16 : adjacent_5p upward 
+B16-B17 : adjacent_5p upward 
+B17-B18 : adjacent_5p upward 
+B18-B19 : adjacent_5p upward 
+B19-B20 : adjacent_5p upward 
+B20-B21 : adjacent_5p upward 
+B21-B22 : adjacent_5p upward 
+B22-B23 : adjacent_5p upward 
+B23-B24 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A2-B24 : outward 
+A4-B22 : outward 
+A9-B17 : outward 
+A11-B15 : outward 
+Number of stackings = 22
+Number of adjacent stackings = 18
+Number of non adjacent stackings = 4
+Base-pairs ------------------------------------------------------
+A1-B24 : C-G Ww/Ww pairing antiparallel cis XIX 
+A2-B23 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-B22 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-B21 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-B20 : T-A Ww/Ww pairing antiparallel cis 
+A8-B17 : T-A Ww/Ww pairing antiparallel cis 
+A9-B16 : G-C Ww/Ww pairing antiparallel cis XIX 
+A10-B15 : C-G Ww/Ww pairing antiparallel cis XIX 
+A11-B14 : G-C Ww/Ww pairing antiparallel cis XIX 
+A12-B13 : C-G Ww/Ww pairing antiparallel cis XIX 
+Residue conformations -------------------------------------------
+A1 : C O4p_endo anti
+A2 : G C1p_exo anti
+A3 : C O4p_endo anti
+A4 : G O4p_endo anti
+A5 : T O4p_endo anti
+A6 : TSP
+A7 : TCP
+A8 : T O4p_endo anti
+A9 : G O4p_endo anti
+A10 : C O4p_endo anti
+A11 : G O4p_endo anti
+A12 : C O4p_endo anti
+B13 : G C4p_exo anti
+B14 : C C3p_endo anti
+B15 : G C3p_endo anti
+B16 : C C3p_endo anti
+B17 : A C3p_endo anti
+B18 : A C3p_endo anti
+B19 : A C3p_endo anti
+B20 : A C3p_endo anti
+B21 : C C3p_endo anti
+B22 : G C3p_endo anti
+B23 : C C3p_endo anti
+B24 : G C4p_exo anti
+Adjacent stackings ----------------------------------------------
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+B13-B14 : adjacent_5p upward 
+B14-B15 : adjacent_5p upward 
+B15-B16 : adjacent_5p upward 
+B16-B17 : adjacent_5p upward 
+B17-B18 : adjacent_5p upward 
+B18-B19 : adjacent_5p upward 
+B19-B20 : adjacent_5p upward 
+B20-B21 : adjacent_5p upward 
+B21-B22 : adjacent_5p upward 
+B22-B23 : adjacent_5p upward 
+B23-B24 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A2-B24 : outward 
+A4-B22 : outward 
+A9-B17 : outward 
+A11-B15 : outward 
+Number of stackings = 21
+Number of adjacent stackings = 17
+Number of non adjacent stackings = 4
+Base-pairs ------------------------------------------------------
+A1-B24 : C-G Ww/Ww pairing antiparallel cis XIX 
+A2-B23 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-B22 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-B21 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-B20 : T-A Ww/Ww pairing antiparallel cis 
+A8-B17 : T-A Ww/Ww pairing antiparallel cis 
+A9-B16 : G-C Ww/Ww pairing antiparallel cis XIX 
+A10-B15 : C-G Ww/Ww pairing antiparallel cis XIX 
+A11-B14 : G-C Ww/Ww pairing antiparallel cis XIX 
+A12-B13 : C-G Ww/Ww pairing antiparallel cis XIX 
diff --git a/MCdata/1afx_MC b/MCdata/1afx_MC
new file mode 100644
index 0000000000000000000000000000000000000000..5f1e1c3eaca93cb7f22981f2798d39f06150ef93
--- /dev/null
+++ b/MCdata/1afx_MC
@@ -0,0 +1,459 @@
+Residue conformations -------------------------------------------
+A1 : G O4p_exo anti
+A2 : G C3p_endo anti
+A3 : U C3p_endo anti
+A4 : G C4p_exo anti
+A5 : U C3p_endo anti
+A6 : G C4p_exo syn
+A7 : A C3p_exo syn
+A8 : A C2p_endo syn
+A9 : C C3p_endo anti
+A10 : A C2p_exo anti
+A11 : C C3p_endo anti
+A12 : C C4p_exo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p inward 
+A7-A8 : adjacent_5p upward pairing 
+A8-A9 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 9
+Number of adjacent stackings = 9
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A1-A12 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A11 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A10 : U-A Ww/Ww pairing antiparallel cis XX 
+A4-A9 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-A8 : U-A O2'/Bh pairing 
+A6-A7 : G-A O2P/Bh O2P/Hh adjacent_5p pairing 
+A7-A8 : A-A O2'/Hh O2'/C8 adjacent_5p upward pairing 
+A9-A10 : C-A O2'/C8 adjacent_5p pairing 
+Residue conformations -------------------------------------------
+A1 : G O4p_exo anti
+A2 : G C3p_endo anti
+A3 : U C3p_endo anti
+A4 : G C3p_endo anti
+A5 : U C3p_endo anti
+A6 : G C3p_endo syn
+A7 : A C3p_exo syn
+A8 : A C2p_endo syn
+A9 : C C4p_exo anti
+A10 : A C3p_endo anti
+A11 : C C3p_endo anti
+A12 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p inward 
+A7-A8 : adjacent_5p upward pairing 
+A8-A9 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 9
+Number of adjacent stackings = 9
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A1-A12 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A11 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A10 : U-A Ww/Ww pairing antiparallel cis XX 
+A4-A9 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-A8 : U-A O2'/Ww O2'/Bh pairing 
+A6-A7 : G-A O2P/Bh adjacent_5p pairing 
+A7-A8 : A-A O2'/Hh O2'/C8 adjacent_5p upward pairing 
+Residue conformations -------------------------------------------
+A1 : G O4p_exo anti
+A2 : G C3p_endo anti
+A3 : U C3p_endo anti
+A4 : G C3p_endo anti
+A5 : U C3p_endo anti
+A6 : G C3p_endo syn
+A7 : A C3p_exo syn
+A8 : A C2p_endo syn
+A9 : C C4p_exo anti
+A10 : A C3p_endo anti
+A11 : C C3p_endo anti
+A12 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p inward 
+A8-A9 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 8
+Number of adjacent stackings = 8
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A1-A12 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A11 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A10 : U-A Ww/Ww pairing antiparallel cis XX 
+A4-A9 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-A8 : U-A Ss/Wh O2'/Ww O2'/Bh pairing antiparallel cis one_hbond 
+A6-A7 : G-A O2P/Bh adjacent_5p pairing 
+A7-A8 : A-A O2'/Hh O2'/C8 adjacent_5p pairing 
+A9-A10 : C-A O2'/C8 adjacent_5p pairing 
+Residue conformations -------------------------------------------
+A1 : G O4p_exo anti
+A2 : G C3p_endo anti
+A3 : U C3p_endo anti
+A4 : G C3p_endo anti
+A5 : U C3p_endo anti
+A6 : G C3p_endo syn
+A7 : A C3p_exo syn
+A8 : A C2p_endo syn
+A9 : C C4p_exo anti
+A10 : A C3p_endo anti
+A11 : C C3p_endo anti
+A12 : C C4p_exo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p inward 
+A7-A8 : adjacent_5p upward pairing 
+A8-A9 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 9
+Number of adjacent stackings = 9
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A1-A12 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A11 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A10 : U-A Ww/Ww pairing antiparallel cis XX 
+A4-A9 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-A8 : U-A O2'/Bh pairing 
+A6-A7 : G-A O2P/Bh adjacent_5p pairing 
+A7-A8 : A-A O2'/Hh O2'/C8 adjacent_5p upward pairing 
+A9-A10 : C-A O2'/C8 adjacent_5p pairing 
+Residue conformations -------------------------------------------
+A1 : G O4p_exo anti
+A2 : G C3p_endo anti
+A3 : U C2p_exo anti
+A4 : G C4p_exo anti
+A5 : U C3p_endo anti
+A6 : G C3p_endo syn
+A7 : A C3p_exo syn
+A8 : A C2p_endo syn
+A9 : C C4p_exo anti
+A10 : A C3p_endo anti
+A11 : C C3p_endo anti
+A12 : C O4p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p inward 
+A8-A9 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 6
+Number of adjacent stackings = 6
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A1-A12 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A11 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A10 : U-A Ww/Ww pairing antiparallel cis XX 
+A4-A9 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-A8 : U-A O2'/Ww O2'/Bh pairing 
+A6-A7 : G-A O2P/Bh adjacent_5p pairing 
+A7-A8 : A-A O2'/Hh O2'/C8 adjacent_5p pairing 
+A9-A10 : C-A O2'/C8 adjacent_5p pairing 
+Residue conformations -------------------------------------------
+A1 : G O4p_exo anti
+A2 : G C3p_endo anti
+A3 : U C3p_endo anti
+A4 : G C3p_endo anti
+A5 : U C3p_endo anti
+A6 : G C3p_endo syn
+A7 : A C3p_exo syn
+A8 : A C2p_endo syn
+A9 : C C4p_exo anti
+A10 : A C2p_exo anti
+A11 : C C3p_endo anti
+A12 : C C4p_exo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p inward 
+A8-A9 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 8
+Number of adjacent stackings = 8
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A1-A12 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A11 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A10 : U-A Ww/Ww pairing antiparallel cis XX 
+A4-A9 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-A8 : U-A O2'/Ww O2'/Bh pairing 
+A6-A7 : G-A O2P/Bh adjacent_5p pairing 
+A7-A8 : A-A O2'/Hh O2'/C8 adjacent_5p pairing 
+A9-A10 : C-A O2'/C8 adjacent_5p pairing 
+Residue conformations -------------------------------------------
+A1 : G O4p_exo anti
+A2 : G C3p_endo anti
+A3 : U C2p_exo anti
+A4 : G C4p_exo anti
+A5 : U C3p_endo anti
+A6 : G C3p_endo syn
+A7 : A C3p_exo syn
+A8 : A C2p_endo syn
+A9 : C C3p_endo anti
+A10 : A C2p_exo anti
+A11 : C C3p_endo anti
+A12 : C C4p_exo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p inward 
+A7-A8 : adjacent_5p upward pairing 
+A8-A9 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 9
+Number of adjacent stackings = 9
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A1-A12 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A11 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A10 : U-A Ww/Ww pairing antiparallel cis XX 
+A4-A9 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-A8 : U-A O2'/Bh pairing 
+A6-A7 : G-A O2P/Bh O2P/Hh adjacent_5p pairing 
+A7-A8 : A-A O2'/Hh O2'/C8 adjacent_5p upward pairing 
+A9-A10 : C-A O2'/C8 adjacent_5p pairing 
+Residue conformations -------------------------------------------
+A1 : G O4p_exo anti
+A2 : G C3p_endo anti
+A3 : U C3p_endo anti
+A4 : G C3p_endo anti
+A5 : U C3p_endo anti
+A6 : G C3p_endo syn
+A7 : A C3p_exo syn
+A8 : A C2p_endo syn
+A9 : C C3p_endo anti
+A10 : A C2p_exo anti
+A11 : C C3p_endo anti
+A12 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p inward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 9
+Number of adjacent stackings = 9
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A1-A12 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A11 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A10 : U-A Ww/Ww pairing antiparallel cis XX 
+A4-A9 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-A7 : U-A O2'/Hh pairing 
+A5-A8 : U-A Ss/Wh O2'/Ww pairing antiparallel cis one_hbond 
+A7-A8 : A-A O2'/Hh O2'/C8 adjacent_5p pairing 
+Residue conformations -------------------------------------------
+A1 : G O4p_exo anti
+A2 : G C3p_endo anti
+A3 : U C3p_endo anti
+A4 : G C4p_exo anti
+A5 : U C3p_endo anti
+A6 : G C3p_endo syn
+A7 : A C3p_exo syn
+A8 : A C2p_endo syn
+A9 : C C4p_exo anti
+A10 : A C3p_endo anti
+A11 : C C3p_endo anti
+A12 : C C4p_exo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 7
+Number of adjacent stackings = 7
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A1-A12 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A11 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A10 : U-A Ww/Ww pairing antiparallel cis XX 
+A4-A9 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-A7 : U-A O2'/Hh pairing 
+A5-A8 : U-A Bs/Wh O2'/Ww pairing antiparallel cis one_hbond 46 
+A6-A7 : G-A O2P/Hh adjacent_5p pairing 
+A7-A8 : A-A O2'/Hh O2'/C8 adjacent_5p pairing 
+A9-A10 : C-A O2'/C8 adjacent_5p pairing 
+Residue conformations -------------------------------------------
+A1 : G O4p_exo anti
+A2 : G C3p_endo anti
+A3 : U C3p_endo anti
+A4 : G C4p_exo anti
+A5 : U C3p_endo anti
+A6 : G C3p_endo syn
+A7 : A C2p_endo syn
+A8 : A C2p_endo syn
+A9 : C C4p_exo anti
+A10 : A C3p_endo anti
+A11 : C C3p_endo anti
+A12 : C C4p_exo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 7
+Number of adjacent stackings = 7
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A1-A12 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A11 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A10 : U-A Ww/Ww pairing antiparallel cis XX 
+A4-A9 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-A7 : U-A O2'/Hh pairing 
+A5-A8 : U-A Bs/Wh O2'/Ww pairing antiparallel cis one_hbond 46 
+A6-A7 : G-A O2P/Hh adjacent_5p pairing 
+A7-A8 : A-A O2'/Hh O2'/C8 adjacent_5p pairing 
+A9-A10 : C-A O2'/C8 adjacent_5p pairing 
+Residue conformations -------------------------------------------
+A1 : G O4p_exo anti
+A2 : G C3p_endo anti
+A3 : U C3p_endo anti
+A4 : G C4p_exo anti
+A5 : U C3p_endo anti
+A6 : G O4p_endo syn
+A7 : A C3p_exo syn
+A8 : A C2p_endo syn
+A9 : C C4p_exo anti
+A10 : A C2p_exo anti
+A11 : C C3p_endo anti
+A12 : C C4p_exo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p inward pairing 
+A7-A8 : adjacent_5p upward pairing 
+A8-A9 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 9
+Number of adjacent stackings = 9
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A1-A12 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A11 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A10 : U-A Ww/Ww pairing antiparallel cis XX 
+A4-A9 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-A6 : U-G O2P/Ww adjacent_5p inward pairing 
+A5-A7 : U-A O2'/Hh pairing 
+A5-A8 : U-A Ss/Wh O2'/Ww pairing antiparallel cis one_hbond 
+A6-A7 : G-A O2P/Bh O2P/Hh adjacent_5p pairing 
+A7-A8 : A-A O2'/Hh O2'/C8 adjacent_5p upward pairing 
+A9-A10 : C-A O2'/C8 adjacent_5p pairing 
+Residue conformations -------------------------------------------
+A1 : G O4p_exo anti
+A2 : G C3p_endo anti
+A3 : U C3p_endo anti
+A4 : G C3p_endo anti
+A5 : U C3p_endo anti
+A6 : G C3p_endo syn
+A7 : A C3p_exo syn
+A8 : A C3p_exo anti
+A9 : C C4p_exo anti
+A10 : A C3p_endo anti
+A11 : C C3p_endo anti
+A12 : C O4p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p inward pairing 
+A7-A8 : adjacent_5p upward pairing 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward pairing 
+A10-A11 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 8
+Number of adjacent stackings = 8
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A1-A12 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A11 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A10 : U-A Ww/Ww pairing antiparallel cis XX 
+A4-A9 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-A6 : U-G O2'/C8 adjacent_5p inward pairing 
+A5-A8 : U-A O2'/Ww O2'/Bh pairing 
+A7-A8 : A-A O2'/Hh O2'/C8 adjacent_5p upward pairing 
+A7-A9 : A-C Ss/O2P pairing 
+A9-A10 : C-A O2'/C8 adjacent_5p upward pairing 
+Residue conformations -------------------------------------------
+A1 : G O4p_exo anti
+A2 : G C3p_endo anti
+A3 : U C3p_endo anti
+A4 : G C3p_endo anti
+A5 : U C3p_endo anti
+A6 : G C3p_endo syn
+A7 : A C3p_exo syn
+A8 : A C2p_endo syn
+A9 : C C4p_exo anti
+A10 : A C3p_endo anti
+A11 : C C3p_endo anti
+A12 : C C4p_exo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p inward 
+A8-A9 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 7
+Number of adjacent stackings = 7
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A1-A12 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A11 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A10 : U-A Ww/Ww pairing antiparallel cis XX 
+A4-A9 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-A8 : U-A Ss/Wh O2'/Ww O2'/Bh pairing antiparallel cis one_hbond 
+A6-A7 : G-A O2P/Bh adjacent_5p pairing 
+A7-A8 : A-A O2'/Hh O2'/C8 adjacent_5p pairing 
+A9-A10 : C-A O2'/C8 adjacent_5p pairing 
diff --git a/MCdata/1ajf_MC b/MCdata/1ajf_MC
new file mode 100644
index 0000000000000000000000000000000000000000..996f642010258afd5b7d9d326603b815c4b0344c
--- /dev/null
+++ b/MCdata/1ajf_MC
@@ -0,0 +1,52 @@
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : A C3p_endo anti
+A3 : C C3p_endo anti
+A4 : A C3p_endo anti
+A5 : G C3p_endo anti
+A6 : G C3p_endo anti
+A7 : G C3p_endo anti
+A8 : G C3p_endo anti
+A9 : A C3p_endo anti
+A10 : A C3p_endo anti
+A11 : A C3p_endo anti
+A12 : C C3p_endo anti
+A13 : U C3p_endo anti
+A14 : U C3p_endo anti
+A15 : U C3p_endo anti
+A16 : G C3p_endo anti
+A17 : U C3p_endo anti
+A18 : C C3p_endo anti
+A19 : NCO
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-A16 : outward 
+Number of stackings = 17
+Number of adjacent stackings = 16
+Number of non adjacent stackings = 1
+Base-pairs ------------------------------------------------------
+A1-A18 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A17 : A-U Ww/Ww pairing antiparallel cis XX 
+A3-A16 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-A15 : A-U Ww/Ww pairing antiparallel cis XX 
+A5-A14 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+A6-A13 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+A7-A12 : G-C Ww/Ww pairing antiparallel cis XIX 
+A8-A10 : G-A Ss/O2P pairing 
+A8-A11 : G-A Ss/Hh O2'/Bh Bs/O2P pairing antiparallel trans XI 
diff --git a/MCdata/1ajl_MC b/MCdata/1ajl_MC
new file mode 100644
index 0000000000000000000000000000000000000000..43e17ea89c187827b9a0203c0d4a16c3601973a9
--- /dev/null
+++ b/MCdata/1ajl_MC
@@ -0,0 +1,48 @@
+Residue conformations -------------------------------------------
+A2 : G C3p_endo anti
+A3 : G C3p_endo anti
+A4 : U C3p_endo anti
+A5 : A C3p_endo anti
+A6 : A O4p_endo anti
+A7 : U C2p_endo anti
+A8 : A C2p_endo anti
+A9 : A O4p_endo anti
+A10 : G C3p_endo anti
+A11 : C C3p_endo anti
+A12 : U C3p_endo anti
+A13 : C C3p_endo anti
+B18 : G C3p_endo anti
+B19 : A C3p_endo anti
+B20 : G C3p_endo anti
+B21 : U C3p_endo anti
+B22 : A C3p_endo anti
+B23 : C C3p_endo anti
+B24 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A3-A4 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+B18-B19 : adjacent_5p upward 
+B19-B20 : adjacent_5p upward 
+B20-B21 : adjacent_5p upward 
+B22-B23 : adjacent_5p upward pairing 
+B23-B24 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A5-B22 : outward 
+Number of stackings = 11
+Number of adjacent stackings = 10
+Number of non adjacent stackings = 1
+Base-pairs ------------------------------------------------------
+A2-B21 : G-U Hh/O2P pairing 
+A2-B24 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-B23 : G-C Ww/Ww pairing antiparallel cis XIX 
+A4-B22 : U-A Ws/Wh pairing antiparallel cis one_hbond 46 
+A6-A9 : A-A O2'/Bh pairing 
+A7-A8 : U-A O2P/Bh adjacent_5p pairing 
+A10-B21 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+A11-B20 : C-G Ww/Ww pairing antiparallel cis 
+A12-B19 : U-A Ww/Ww pairing antiparallel cis XX 
+A13-B18 : C-G Ww/Ww pairing antiparallel cis XIX 
+B22-B23 : A-C O2P/Bh adjacent_5p upward pairing 
diff --git a/MCdata/1ajt_MC b/MCdata/1ajt_MC
new file mode 100644
index 0000000000000000000000000000000000000000..aa0fa26c8482373463d2b870dd07d593f27203ad
--- /dev/null
+++ b/MCdata/1ajt_MC
@@ -0,0 +1,46 @@
+Residue conformations -------------------------------------------
+A2 : G C3p_endo anti
+A3 : G C3p_endo anti
+A4 : U C3p_endo anti
+A5 : A C3p_endo anti
+A6 : A C3p_exo anti
+A7 : U C2p_endo anti
+A8 : A C2p_endo anti
+A9 : A O4p_endo anti
+A10 : G C3p_endo anti
+A11 : C C2p_exo anti
+A12 : U C3p_endo anti
+A13 : C C3p_endo anti
+B18 : G C3p_endo anti
+B19 : A C3p_endo anti
+B20 : G C3p_endo anti
+B21 : U C3p_endo anti
+B22 : A C3p_endo anti
+B23 : C C3p_endo anti
+B24 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A3-A4 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward pairing 
+A12-A13 : adjacent_5p upward 
+B18-B19 : adjacent_5p upward 
+B19-B20 : adjacent_5p upward 
+B20-B21 : adjacent_5p upward 
+B22-B23 : adjacent_5p upward pairing 
+B23-B24 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 10
+Number of adjacent stackings = 10
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A2-B24 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-B23 : G-C Ww/Ww pairing antiparallel cis 
+A4-B22 : U-A Ws/Wh pairing antiparallel cis one_hbond 46 
+A7-A8 : U-A O2P/Bh O2P/Hh adjacent_5p pairing 
+A9-A10 : A-G O2'/C8 adjacent_5p upward pairing 
+A10-B21 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+A11-B20 : C-G Ww/Ww pairing antiparallel cis XIX 
+A12-B19 : U-A Ww/Ww pairing antiparallel cis XX 
+A13-B18 : C-G Ww/Ww pairing antiparallel cis XIX 
+B22-B23 : A-C O2P/Bh adjacent_5p upward pairing 
diff --git a/MCdata/1aju_MC b/MCdata/1aju_MC
new file mode 100644
index 0000000000000000000000000000000000000000..3f5c9d4c1077f2b9e5f10a4deecacab947c1696e
--- /dev/null
+++ b/MCdata/1aju_MC
@@ -0,0 +1,1409 @@
+Residue conformations -------------------------------------------
+A16 : G C3p_endo anti
+A17 : G C2p_exo anti
+A18 : C C3p_endo anti
+A19 : C C2p_exo anti
+A20 : A C3p_endo anti
+A21 : G C3p_endo anti
+A22 : A C3p_endo anti
+A23 : U C2p_endo anti
+A25 : U C2p_endo anti
+A26 : G C3p_endo anti
+A27 : A C3p_endo anti
+A28 : G C3p_endo anti
+A29 : C C3p_endo anti
+A30 : C C2p_endo anti
+A31 : U C2p_endo anti
+A32 : G C2p_endo anti
+A33 : G C2p_endo anti
+A34 : G C2p_endo syn
+A35 : A C3p_exo anti
+A36 : G C2p_exo anti
+A37 : C C3p_endo anti
+A38 : U C3p_endo anti
+A39 : C C3p_endo anti
+A40 : U C3p_endo anti
+A41 : C C3p_endo anti
+A42 : U C3p_endo anti
+A43 : G C3p_endo anti
+A44 : G C3p_endo anti
+A45 : C C3p_endo anti
+A46 : C C3p_endo anti
+A47 : ARG
+Adjacent stackings ----------------------------------------------
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+A21-A22 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+A27-A28 : adjacent_5p upward 
+A28-A29 : adjacent_5p upward 
+A29-A30 : adjacent_5p upward 
+A36-A37 : adjacent_5p upward 
+A38-A39 : adjacent_5p upward 
+A39-A40 : adjacent_5p upward 
+A41-A42 : adjacent_5p upward 
+A42-A43 : adjacent_5p upward 
+A43-A44 : adjacent_5p upward 
+A44-A45 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A20-A43 : outward 
+A30-A34 : inward pairing 
+A30-A36 : outward 
+Number of stackings = 19
+Number of adjacent stackings = 16
+Number of non adjacent stackings = 3
+Base-pairs ------------------------------------------------------
+A16-A46 : G-C Ww/Ww pairing antiparallel cis XIX 
+A17-A45 : G-C Ww/Ww pairing antiparallel cis XIX 
+A18-A44 : C-G Ww/Ww pairing antiparallel cis 
+A19-A43 : C-G Ww/Ww pairing antiparallel cis XIX 
+A20-A42 : A-U Ww/Ww pairing antiparallel cis XX 
+A21-A41 : G-C Ww/Ww pairing antiparallel cis XIX 
+A22-A25 : A-U O2'/Hh pairing 
+A22-A40 : A-U Ww/Ww pairing antiparallel cis one_hbond 
+A26-A39 : G-C Ww/Ww pairing antiparallel cis XIX 
+A27-A38 : A-U Ww/Ww pairing antiparallel cis XX 
+A28-A37 : G-C Ww/Ww pairing antiparallel cis XIX 
+A29-A36 : C-G Ww/Ww pairing antiparallel cis XIX 
+A30-A34 : C-G O2'/Ss O2'/C8 inward pairing 
+A34-A35 : G-A O2'/C8 adjacent_5p pairing 
+A38-A47 : U-ARG pairing one_hbond 
+Residue conformations -------------------------------------------
+A16 : G C3p_endo anti
+A17 : G C2p_exo anti
+A18 : C C3p_endo anti
+A19 : C C3p_endo anti
+A20 : A C3p_endo anti
+A21 : G C2p_exo anti
+A22 : A C3p_endo anti
+A23 : U C2p_endo anti
+A25 : U C2p_endo anti
+A26 : G C3p_endo anti
+A27 : A C3p_endo anti
+A28 : G C3p_endo anti
+A29 : C C3p_endo anti
+A30 : C C2p_endo anti
+A31 : U C2p_endo anti
+A32 : G C2p_endo anti
+A33 : G C2p_endo anti
+A34 : G C2p_endo syn
+A35 : A C2p_endo anti
+A36 : G C3p_endo anti
+A37 : C C3p_endo anti
+A38 : U C3p_endo anti
+A39 : C C3p_endo anti
+A40 : U C3p_endo anti
+A41 : C C3p_endo anti
+A42 : U C3p_endo anti
+A43 : G C3p_endo anti
+A44 : G C3p_endo anti
+A45 : C C3p_endo anti
+A46 : C C3p_endo anti
+A47 : ARG
+Adjacent stackings ----------------------------------------------
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+A21-A22 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+A27-A28 : adjacent_5p upward 
+A28-A29 : adjacent_5p upward 
+A29-A30 : adjacent_5p upward 
+A36-A37 : adjacent_5p upward 
+A38-A39 : adjacent_5p upward 
+A39-A40 : adjacent_5p upward 
+A43-A44 : adjacent_5p upward 
+A44-A45 : adjacent_5p upward 
+A45-A46 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A20-A43 : outward 
+A21-A42 : outward 
+Number of stackings = 17
+Number of adjacent stackings = 15
+Number of non adjacent stackings = 2
+Base-pairs ------------------------------------------------------
+A16-A46 : G-C Ww/Ww pairing antiparallel cis XIX 
+A17-A45 : G-C Ww/Ww pairing antiparallel cis XIX 
+A18-A44 : C-G Ww/Ww pairing antiparallel cis XIX 
+A19-A43 : C-G Ww/Ww pairing antiparallel cis XIX 
+A20-A42 : A-U Ww/Ww pairing antiparallel cis XX 
+A21-A41 : G-C Ww/Ww pairing antiparallel cis XIX 
+A22-A40 : A-U Ww/Ww pairing antiparallel cis XX 
+A23-A27 : U-A Ws/Hh pairing parallel cis one_hbond 
+A25-A42 : U-U Hh/O2' pairing 
+A26-A39 : G-C Ww/Ww pairing antiparallel cis XIX 
+A27-A38 : A-U Ww/Ww pairing antiparallel cis XX 
+A28-A37 : G-C Ww/Ww pairing antiparallel cis XIX 
+A29-A36 : C-G Ww/Ww pairing antiparallel cis XIX 
+A31-A34 : U-G O2P/Bs pairing 
+Residue conformations -------------------------------------------
+A16 : G C3p_endo anti
+A17 : G C3p_endo anti
+A18 : C C3p_endo anti
+A19 : C C2p_exo anti
+A20 : A C3p_endo anti
+A21 : G C3p_endo anti
+A22 : A C3p_endo anti
+A23 : U C2p_endo anti
+A25 : U C2p_endo anti
+A26 : G C3p_endo anti
+A27 : A C3p_endo anti
+A28 : G C3p_endo anti
+A29 : C C3p_endo anti
+A30 : C C2p_endo anti
+A31 : U C2p_endo anti
+A32 : G C2p_endo anti
+A33 : G C2p_endo anti
+A34 : G C2p_endo syn
+A35 : A C3p_endo anti
+A36 : G C3p_endo anti
+A37 : C C3p_endo anti
+A38 : U C3p_endo anti
+A39 : C C3p_endo anti
+A40 : U C3p_endo anti
+A41 : C C3p_endo anti
+A42 : U C3p_endo anti
+A43 : G C2p_exo anti
+A44 : G C3p_endo anti
+A45 : C C3p_endo anti
+A46 : C C3p_endo anti
+A47 : ARG
+Adjacent stackings ----------------------------------------------
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+A21-A22 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+A27-A28 : adjacent_5p upward 
+A28-A29 : adjacent_5p upward 
+A29-A30 : adjacent_5p upward 
+A36-A37 : adjacent_5p upward 
+A37-A38 : adjacent_5p upward 
+A38-A39 : adjacent_5p upward 
+A39-A40 : adjacent_5p upward 
+A43-A44 : adjacent_5p upward 
+A44-A45 : adjacent_5p upward 
+A45-A46 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A19-A44 : outward 
+A20-A43 : outward 
+A30-A36 : outward 
+Number of stackings = 19
+Number of adjacent stackings = 16
+Number of non adjacent stackings = 3
+Base-pairs ------------------------------------------------------
+A16-A46 : G-C Ww/Ww pairing antiparallel cis 
+A17-A45 : G-C Ww/Ww pairing antiparallel cis XIX 
+A18-A44 : C-G Ww/Ww pairing antiparallel cis XIX 
+A19-A43 : C-G Ww/Ww pairing antiparallel cis XIX 
+A20-A42 : A-U Ww/Ww pairing antiparallel cis one_hbond 
+A21-A25 : G-U O2'/Hh Ss/O2' pairing 
+A21-A26 : G-G Bs/O2P pairing 
+A21-A41 : G-C Ww/Ww pairing antiparallel cis XIX 
+A22-A40 : A-U Ww/Ww pairing antiparallel cis XX 
+A26-A39 : G-C Ww/Ww pairing antiparallel cis 
+A27-A38 : A-U Ww/Ww pairing antiparallel cis XX 
+A28-A37 : G-C Ww/Ww pairing antiparallel cis XIX 
+A29-A36 : C-G Ww/Ww pairing antiparallel cis XIX 
+A31-A34 : U-G O2P/Hh pairing 
+A32-A34 : G-G O2'/Ww pairing 
+A33-A34 : G-G O2'/Bs O2P/Ss adjacent_5p pairing 
+A34-A35 : G-A O2P/Bh adjacent_5p pairing 
+Residue conformations -------------------------------------------
+A16 : G C3p_endo anti
+A17 : G C3p_endo anti
+A18 : C C3p_endo anti
+A19 : C C3p_endo anti
+A20 : A C3p_endo anti
+A21 : G C3p_endo anti
+A22 : A C3p_endo anti
+A23 : U C2p_endo anti
+A25 : U C2p_endo anti
+A26 : G C2p_exo anti
+A27 : A C2p_exo anti
+A28 : G C3p_endo anti
+A29 : C C3p_endo anti
+A30 : C C2p_endo anti
+A31 : U C2p_endo anti
+A32 : G C2p_endo anti
+A33 : G C2p_endo anti
+A34 : G C2p_endo syn
+A35 : A C2p_endo anti
+A36 : G C3p_endo anti
+A37 : C C3p_endo anti
+A38 : U C3p_endo anti
+A39 : C C3p_endo anti
+A40 : U C3p_endo anti
+A41 : C C3p_endo anti
+A42 : U C3p_endo anti
+A43 : G C3p_endo anti
+A44 : G C3p_endo anti
+A45 : C C3p_endo anti
+A46 : C C3p_endo anti
+A47 : ARG
+Adjacent stackings ----------------------------------------------
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+A21-A22 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+A27-A28 : adjacent_5p upward 
+A28-A29 : adjacent_5p upward 
+A29-A30 : adjacent_5p upward 
+A36-A37 : adjacent_5p upward 
+A37-A38 : adjacent_5p upward 
+A38-A39 : adjacent_5p upward 
+A39-A40 : adjacent_5p upward 
+A43-A44 : adjacent_5p upward 
+A44-A45 : adjacent_5p upward 
+A45-A46 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A20-A43 : outward 
+Number of stackings = 16
+Number of adjacent stackings = 15
+Number of non adjacent stackings = 1
+Base-pairs ------------------------------------------------------
+A17-A45 : G-C Ww/Ww pairing antiparallel cis XIX 
+A18-A44 : C-G Ww/Ww pairing antiparallel cis XIX 
+A19-A43 : C-G Ww/Ww pairing antiparallel cis XIX 
+A20-A42 : A-U Ww/Ww pairing antiparallel cis XX 
+A21-A41 : G-C Ww/Ww pairing antiparallel cis XIX 
+A22-A40 : A-U Ww/Ww pairing antiparallel cis XX 
+A26-A39 : G-C Ww/Ww pairing antiparallel cis XIX 
+A27-A38 : A-U Ww/Ww pairing antiparallel cis XX 
+A28-A37 : G-C Ww/Ww pairing antiparallel cis XIX 
+A29-A36 : C-G Ww/Ww pairing antiparallel cis one_hbond 
+A30-A34 : C-G O2'/Hh pairing 
+A31-A34 : U-G O2P/Ww pairing 
+A32-A33 : G-G O2'/Hh adjacent_5p pairing 
+A32-A34 : G-G O2'/Ww O2'/Bs pairing 
+A34-A36 : G-G O2'/Hh O2'/C8 pairing 
+Residue conformations -------------------------------------------
+A16 : G C3p_endo anti
+A17 : G C3p_endo anti
+A18 : C C2p_exo anti
+A19 : C C3p_endo anti
+A20 : A C3p_endo anti
+A21 : G C2p_exo anti
+A22 : A C3p_endo anti
+A23 : U C2p_endo anti
+A25 : U C2p_endo anti
+A26 : G C3p_endo anti
+A27 : A C3p_endo anti
+A28 : G C3p_endo anti
+A29 : C C3p_endo anti
+A30 : C C2p_endo anti
+A31 : U C2p_endo anti
+A32 : G C2p_endo anti
+A33 : G C2p_endo anti
+A34 : G C2p_endo syn
+A35 : A C2p_endo anti
+A36 : G C3p_endo anti
+A37 : C C3p_endo anti
+A38 : U C3p_endo anti
+A39 : C C3p_endo anti
+A40 : U C3p_endo anti
+A41 : C C3p_endo anti
+A42 : U C3p_endo anti
+A43 : G C3p_endo anti
+A44 : G C3p_endo anti
+A45 : C C3p_endo anti
+A46 : C C3p_endo anti
+A47 : ARG
+Adjacent stackings ----------------------------------------------
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+A21-A22 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+A27-A28 : adjacent_5p upward 
+A28-A29 : adjacent_5p upward 
+A36-A37 : adjacent_5p upward 
+A38-A39 : adjacent_5p upward 
+A39-A40 : adjacent_5p upward 
+A40-A41 : adjacent_5p upward 
+A42-A43 : adjacent_5p upward 
+A43-A44 : adjacent_5p upward 
+A44-A45 : adjacent_5p upward 
+A45-A46 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A20-A43 : outward 
+A21-A42 : outward 
+A30-A36 : outward 
+Number of stackings = 20
+Number of adjacent stackings = 17
+Number of non adjacent stackings = 3
+Base-pairs ------------------------------------------------------
+A16-A46 : G-C Ww/Ww pairing antiparallel cis XIX 
+A17-A45 : G-C Ww/Ww pairing antiparallel cis XIX 
+A18-A44 : C-G Ww/Ww pairing antiparallel cis XIX 
+A19-A43 : C-G Ww/Ww pairing antiparallel cis XIX 
+A20-A42 : A-U Ww/Ww pairing antiparallel cis XX 
+A21-A41 : G-C Ww/Ww pairing antiparallel cis XIX 
+A22-A40 : A-U Ww/Ww pairing antiparallel cis XX 
+A23-A27 : U-A Ww/Hh pairing parallel cis one_hbond 
+A26-A39 : G-C Ww/Ww pairing antiparallel cis XIX 
+A26-A40 : G-U Bs/O2' pairing 
+A27-A38 : A-U Ww/Ww pairing antiparallel cis XX 
+A28-A37 : G-C Ww/Ww pairing antiparallel cis XIX 
+A29-A36 : C-G Ww/Ww pairing antiparallel cis XIX 
+A30-A34 : C-G O2'/Ww pairing 
+A32-A33 : G-G Sw/Hh adjacent_5p pairing parallel cis one_hbond 109 
+A33-A34 : G-G O2P/Bs adjacent_5p pairing 
+Residue conformations -------------------------------------------
+A16 : G C3p_endo anti
+A17 : G C2p_exo anti
+A18 : C C3p_endo anti
+A19 : C C2p_exo anti
+A20 : A C3p_endo anti
+A21 : G C3p_endo anti
+A22 : A C3p_endo anti
+A23 : U C2p_endo anti
+A25 : U C2p_endo anti
+A26 : G C3p_endo anti
+A27 : A C3p_endo anti
+A28 : G C3p_endo anti
+A29 : C C3p_endo anti
+A30 : C C2p_endo anti
+A31 : U C2p_endo anti
+A32 : G C2p_endo anti
+A33 : G C2p_endo anti
+A34 : G C2p_endo anti
+A35 : A C2p_endo anti
+A36 : G C2p_exo anti
+A37 : C C3p_endo anti
+A38 : U C3p_endo anti
+A39 : C C3p_endo anti
+A40 : U C3p_endo anti
+A41 : C C3p_endo anti
+A42 : U C2p_exo anti
+A43 : G C3p_endo anti
+A44 : G C3p_endo anti
+A45 : C C3p_endo anti
+A46 : C C3p_endo anti
+A47 : ARG
+Adjacent stackings ----------------------------------------------
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+A21-A22 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+A27-A28 : adjacent_5p upward 
+A28-A29 : adjacent_5p upward 
+A36-A37 : adjacent_5p upward 
+A37-A38 : adjacent_5p upward 
+A38-A39 : adjacent_5p upward 
+A39-A40 : adjacent_5p upward 
+A43-A44 : adjacent_5p upward 
+A44-A45 : adjacent_5p upward 
+A45-A46 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A20-A43 : outward 
+A30-A36 : outward 
+Number of stackings = 17
+Number of adjacent stackings = 15
+Number of non adjacent stackings = 2
+Base-pairs ------------------------------------------------------
+A16-A46 : G-C Ww/Ww pairing antiparallel cis 
+A17-A45 : G-C Ww/Ww pairing antiparallel cis XIX 
+A18-A44 : C-G Ww/Ww pairing antiparallel cis XIX 
+A19-A43 : C-G Ww/Ww pairing antiparallel cis XIX 
+A20-A42 : A-U Ww/Ww pairing antiparallel cis XX 
+A21-A41 : G-C Ww/Ww pairing antiparallel cis XIX 
+A22-A40 : A-U Ww/Ww pairing antiparallel cis XX 
+A23-A27 : U-A Ww/Hh pairing parallel cis XXIII 
+A26-A39 : G-C Ww/Ww pairing antiparallel cis XIX 
+A27-A38 : A-U Ww/Ww pairing antiparallel cis one_hbond 
+A28-A37 : G-C Ww/Ww pairing antiparallel cis 
+A29-A36 : C-G Ww/Ww pairing antiparallel cis XIX 
+A30-A34 : C-G O2'/Hh pairing 
+A34-A36 : G-G Ww/O2' pairing 
+A34-A37 : G-C Ww/O2P pairing 
+Residue conformations -------------------------------------------
+A16 : G C3p_endo anti
+A17 : G C3p_endo anti
+A18 : C C3p_endo anti
+A19 : C C2p_exo anti
+A20 : A C3p_endo anti
+A21 : G C3p_endo anti
+A22 : A C2p_exo anti
+A23 : U C2p_endo anti
+A25 : U C2p_endo anti
+A26 : G C3p_endo anti
+A27 : A C3p_endo anti
+A28 : G C3p_endo anti
+A29 : C C3p_endo anti
+A30 : C C2p_endo anti
+A31 : U C2p_endo anti
+A32 : G C2p_endo anti
+A33 : G C2p_endo anti
+A34 : G C2p_endo syn
+A35 : A C3p_exo anti
+A36 : G C3p_endo anti
+A37 : C C3p_endo anti
+A38 : U C3p_endo anti
+A39 : C C3p_endo anti
+A40 : U C3p_endo anti
+A41 : C C3p_endo anti
+A42 : U C3p_endo anti
+A43 : G C3p_endo anti
+A44 : G C3p_endo anti
+A45 : C C3p_endo anti
+A46 : C C3p_endo anti
+A47 : ARG
+Adjacent stackings ----------------------------------------------
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+A21-A22 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+A27-A28 : adjacent_5p upward 
+A28-A29 : adjacent_5p upward 
+A36-A37 : adjacent_5p upward 
+A38-A39 : adjacent_5p upward 
+A39-A40 : adjacent_5p upward 
+A40-A41 : adjacent_5p upward 
+A42-A43 : adjacent_5p upward 
+A43-A44 : adjacent_5p upward 
+A44-A45 : adjacent_5p upward 
+A45-A46 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A20-A43 : outward 
+Number of stackings = 17
+Number of adjacent stackings = 16
+Number of non adjacent stackings = 1
+Base-pairs ------------------------------------------------------
+A16-A46 : G-C Ww/Ww pairing antiparallel cis XIX 
+A17-A45 : G-C Ww/Ww pairing antiparallel cis XIX 
+A18-A44 : C-G Ww/Ww pairing antiparallel cis XIX 
+A19-A43 : C-G Ww/Ww pairing antiparallel cis XIX 
+A20-A42 : A-U Ww/Ww pairing antiparallel cis one_hbond 
+A21-A41 : G-C Ww/Ww pairing antiparallel cis XIX 
+A22-A40 : A-U Ww/Ww pairing antiparallel cis XX 
+A25-A42 : U-U Hh/O2' pairing 
+A26-A39 : G-C Ww/Ww pairing antiparallel cis XIX 
+A26-A40 : G-U Bs/O2' pairing 
+A27-A38 : A-U Ww/Ww pairing antiparallel cis XX 
+A28-A37 : G-C Ww/Ww pairing antiparallel cis XIX 
+A29-A36 : C-G Ww/Ww pairing antiparallel cis XIX 
+A30-A32 : C-G O2'/Hh pairing 
+A32-A34 : G-G Bs/O2P Ss/O2P pairing 
+A34-A36 : G-G Ss/O2' pairing 
+Residue conformations -------------------------------------------
+A16 : G C3p_endo anti
+A17 : G C2p_exo anti
+A18 : C C3p_endo anti
+A19 : C C3p_endo anti
+A20 : A C3p_endo anti
+A21 : G C2p_exo anti
+A22 : A C3p_endo anti
+A23 : U C2p_endo anti
+A25 : U C2p_endo anti
+A26 : G C2p_exo anti
+A27 : A C3p_endo anti
+A28 : G C3p_endo anti
+A29 : C C3p_endo anti
+A30 : C C2p_endo syn
+A31 : U C2p_endo anti
+A32 : G C2p_endo anti
+A33 : G C2p_endo anti
+A34 : G C2p_endo syn
+A35 : A C3p_exo anti
+A36 : G C2p_exo anti
+A37 : C C3p_endo anti
+A38 : U C3p_endo anti
+A39 : C C3p_endo anti
+A40 : U C2p_exo anti
+A41 : C C3p_endo anti
+A42 : U C3p_endo anti
+A43 : G C3p_endo anti
+A44 : G C3p_endo anti
+A45 : C C2p_exo anti
+A46 : C C3p_endo anti
+A47 : ARG
+Adjacent stackings ----------------------------------------------
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+A21-A22 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+A27-A28 : adjacent_5p upward 
+A28-A29 : adjacent_5p upward 
+A32-A33 : adjacent_5p outward 
+A36-A37 : adjacent_5p upward 
+A37-A38 : adjacent_5p upward 
+A38-A39 : adjacent_5p upward 
+A39-A40 : adjacent_5p upward 
+A41-A42 : adjacent_5p upward 
+A43-A44 : adjacent_5p upward 
+A44-A45 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A20-A43 : outward 
+Number of stackings = 17
+Number of adjacent stackings = 16
+Number of non adjacent stackings = 1
+Base-pairs ------------------------------------------------------
+A16-A46 : G-C Ww/Ww pairing antiparallel cis XIX 
+A17-A45 : G-C Ww/Ww pairing antiparallel cis XIX 
+A18-A44 : C-G Ww/Ww pairing antiparallel cis XIX 
+A19-A43 : C-G Ww/Ww pairing antiparallel cis XIX 
+A20-A42 : A-U Ww/Ww pairing antiparallel cis XX 
+A21-A41 : G-C Ww/Ww pairing antiparallel cis XIX 
+A22-A40 : A-U Ww/Ww pairing antiparallel cis XX 
+A25-A42 : U-U Hh/O2' pairing 
+A26-A39 : G-C Ww/Ww pairing antiparallel cis XIX 
+A26-A40 : G-U Bs/O2' pairing 
+A27-A38 : A-U Ww/Ww pairing antiparallel cis XX 
+A28-A37 : G-C Ww/Ww pairing antiparallel cis XIX 
+A29-A36 : C-G Ww/Ww pairing antiparallel cis XIX 
+Residue conformations -------------------------------------------
+A16 : G C3p_endo anti
+A17 : G C2p_exo anti
+A18 : C C3p_endo anti
+A19 : C C2p_exo anti
+A20 : A C3p_endo anti
+A21 : G C2p_exo anti
+A22 : A C3p_endo anti
+A23 : U C2p_endo anti
+A25 : U C2p_endo anti
+A26 : G C3p_endo anti
+A27 : A C3p_endo anti
+A28 : G C3p_endo anti
+A29 : C C2p_exo anti
+A30 : C C2p_endo anti
+A31 : U C2p_endo anti
+A32 : G C3p_exo anti
+A33 : G C2p_endo anti
+A34 : G C2p_endo syn
+A35 : A C3p_endo anti
+A36 : G C2p_exo anti
+A37 : C C3p_endo anti
+A38 : U C3p_endo anti
+A39 : C C3p_endo anti
+A40 : U C3p_endo anti
+A41 : C C3p_endo anti
+A42 : U C3p_endo anti
+A43 : G C3p_endo anti
+A44 : G C3p_endo anti
+A45 : C C3p_endo anti
+A46 : C C3p_endo anti
+A47 : ARG
+Adjacent stackings ----------------------------------------------
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+A21-A22 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+A27-A28 : adjacent_5p upward 
+A28-A29 : adjacent_5p upward 
+A36-A37 : adjacent_5p upward 
+A37-A38 : adjacent_5p upward 
+A38-A39 : adjacent_5p upward 
+A39-A40 : adjacent_5p upward 
+A40-A41 : adjacent_5p upward 
+A41-A42 : adjacent_5p upward 
+A42-A43 : adjacent_5p upward 
+A43-A44 : adjacent_5p upward 
+A44-A45 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A20-A43 : outward 
+A30-A36 : outward 
+Number of stackings = 19
+Number of adjacent stackings = 17
+Number of non adjacent stackings = 2
+Base-pairs ------------------------------------------------------
+A16-A46 : G-C Ww/Ww pairing antiparallel cis XIX 
+A17-A45 : G-C Ww/Ww pairing antiparallel cis XIX 
+A18-A44 : C-G Ww/Ww pairing antiparallel cis XIX 
+A19-A43 : C-G Ww/Ww pairing antiparallel cis XIX 
+A20-A42 : A-U Ww/Ww pairing antiparallel cis XX 
+A21-A41 : G-C Ww/Ww pairing antiparallel cis XIX 
+A22-A40 : A-U Ww/Ww pairing antiparallel cis XX 
+A23-A27 : U-A Ww/Hh pairing parallel cis one_hbond 
+A26-A39 : G-C Ww/Ww pairing antiparallel cis XIX 
+A27-A38 : A-U Ww/Ww pairing antiparallel cis XX 
+A28-A37 : G-C Ww/Ww pairing antiparallel cis XIX 
+A29-A36 : C-G Ww/Ww pairing antiparallel cis XIX 
+A30-A34 : C-G O2'/Ww pairing 
+A30-A35 : C-A O2'/Bh pairing 
+A32-A33 : G-G O2'/Hh adjacent_5p pairing 
+A33-A34 : G-G O2P/Bs adjacent_5p pairing 
+Residue conformations -------------------------------------------
+A16 : G C3p_endo anti
+A17 : G C3p_endo anti
+A18 : C C3p_endo anti
+A19 : C C3p_endo anti
+A20 : A C3p_endo anti
+A21 : G C3p_endo anti
+A22 : A C3p_endo anti
+A23 : U C2p_endo anti
+A25 : U C2p_endo anti
+A26 : G C3p_endo anti
+A27 : A C3p_endo anti
+A28 : G C3p_endo anti
+A29 : C C3p_endo anti
+A30 : C C2p_endo anti
+A31 : U C2p_endo anti
+A32 : G C3p_exo anti
+A33 : G C2p_endo anti
+A34 : G C2p_endo anti
+A35 : A C2p_exo anti
+A36 : G C3p_endo anti
+A37 : C C3p_endo anti
+A38 : U C3p_endo anti
+A39 : C C3p_endo anti
+A40 : U C3p_endo anti
+A41 : C C3p_endo anti
+A42 : U C3p_endo anti
+A43 : G C3p_endo anti
+A44 : G C3p_endo anti
+A45 : C C3p_endo anti
+A46 : C C3p_endo anti
+A47 : ARG
+Adjacent stackings ----------------------------------------------
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+A21-A22 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+A27-A28 : adjacent_5p upward 
+A28-A29 : adjacent_5p upward 
+A32-A33 : adjacent_5p outward pairing 
+A36-A37 : adjacent_5p upward 
+A38-A39 : adjacent_5p upward 
+A39-A40 : adjacent_5p upward 
+A40-A41 : adjacent_5p upward 
+A43-A44 : adjacent_5p upward 
+A44-A45 : adjacent_5p upward 
+A45-A46 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A20-A43 : outward 
+A34-A36 : outward 
+Number of stackings = 19
+Number of adjacent stackings = 17
+Number of non adjacent stackings = 2
+Base-pairs ------------------------------------------------------
+A16-A46 : G-C Ww/Ww pairing antiparallel cis XIX 
+A17-A45 : G-C Ww/Ww pairing antiparallel cis XIX 
+A18-A44 : C-G Ww/Ww pairing antiparallel cis XIX 
+A19-A43 : C-G Ww/Ww pairing antiparallel cis XIX 
+A20-A42 : A-U Ww/Ww pairing antiparallel cis XX 
+A21-A41 : G-C Ww/Ww pairing antiparallel cis XIX 
+A22-A40 : A-U Ww/Ww pairing antiparallel cis XX 
+A23-A27 : U-A Ws/Hh pairing parallel cis one_hbond 
+A26-A39 : G-C Ww/Ww pairing antiparallel cis XIX 
+A27-A38 : A-U Ww/Ww pairing antiparallel cis XX 
+A28-A37 : G-C Ww/Ww pairing antiparallel cis 
+A29-A30 : C-C Ss/Hh adjacent_5p pairing parallel cis one_hbond 
+A29-A36 : C-G Ww/Ww pairing antiparallel cis XIX 
+A30-A37 : C-C Ww/O2' Bh/O2' pairing 
+A32-A33 : G-G O2P/Bs adjacent_5p outward pairing 
+Residue conformations -------------------------------------------
+A16 : G C3p_endo anti
+A17 : G C3p_endo anti
+A18 : C C3p_endo anti
+A19 : C C3p_endo anti
+A20 : A C3p_endo anti
+A21 : G C3p_endo anti
+A22 : A C3p_endo anti
+A23 : U C2p_endo anti
+A25 : U C2p_endo anti
+A26 : G C3p_endo anti
+A27 : A C2p_exo anti
+A28 : G C3p_endo anti
+A29 : C C2p_exo anti
+A30 : C C2p_endo anti
+A31 : U C2p_endo anti
+A32 : G C2p_endo anti
+A33 : G C2p_endo anti
+A34 : G C2p_endo syn
+A35 : A C2p_endo anti
+A36 : G C2p_exo anti
+A37 : C C3p_endo anti
+A38 : U C3p_endo anti
+A39 : C C3p_endo anti
+A40 : U C3p_endo anti
+A41 : C C2p_exo anti
+A42 : U C3p_endo anti
+A43 : G C3p_endo anti
+A44 : G C3p_endo anti
+A45 : C C3p_endo anti
+A46 : C C2p_exo anti
+A47 : ARG
+Adjacent stackings ----------------------------------------------
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+A21-A22 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+A27-A28 : adjacent_5p upward 
+A28-A29 : adjacent_5p upward 
+A29-A30 : adjacent_5p upward 
+A36-A37 : adjacent_5p upward 
+A37-A38 : adjacent_5p upward 
+A38-A39 : adjacent_5p upward 
+A39-A40 : adjacent_5p upward 
+A43-A44 : adjacent_5p upward 
+A44-A45 : adjacent_5p upward 
+A45-A46 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A17-A46 : outward 
+A20-A43 : outward 
+A30-A36 : outward 
+Number of stackings = 20
+Number of adjacent stackings = 17
+Number of non adjacent stackings = 3
+Base-pairs ------------------------------------------------------
+A16-A46 : G-C Ww/Ww pairing antiparallel cis XIX 
+A17-A45 : G-C Ww/Ww pairing antiparallel cis XIX 
+A18-A44 : C-G Ww/Ww pairing antiparallel cis XIX 
+A19-A43 : C-G Ww/Ww pairing antiparallel cis XIX 
+A20-A42 : A-U Ww/Ww pairing antiparallel cis XX 
+A21-A41 : G-C Ww/Ww pairing antiparallel cis XIX 
+A22-A40 : A-U Ww/Ww pairing antiparallel cis XX 
+A26-A39 : G-C Ww/Ww pairing antiparallel cis XIX 
+A27-A38 : A-U Ww/Ww pairing antiparallel cis XX 
+A28-A37 : G-C Ww/Ww pairing antiparallel cis XIX 
+A29-A36 : C-G Ww/Ww pairing antiparallel cis XIX 
+A33-A34 : G-G O2'/Ss adjacent_5p pairing 
+A34-A36 : G-G Ww/O2' Ss/O2' pairing 
+Residue conformations -------------------------------------------
+A16 : G C3p_endo anti
+A17 : G C3p_endo anti
+A18 : C C3p_endo anti
+A19 : C C3p_endo anti
+A20 : A C3p_endo anti
+A21 : G C2p_exo anti
+A22 : A C2p_exo anti
+A23 : U C2p_endo anti
+A25 : U C2p_endo anti
+A26 : G C3p_endo anti
+A27 : A C3p_endo anti
+A28 : G C3p_endo anti
+A29 : C C3p_endo anti
+A30 : C C2p_endo syn
+A31 : U C2p_endo anti
+A32 : G C2p_endo anti
+A33 : G C2p_endo anti
+A34 : G C2p_endo syn
+A35 : A C2p_exo anti
+A36 : G C2p_exo anti
+A37 : C C3p_endo anti
+A38 : U C3p_endo anti
+A39 : C C3p_endo anti
+A40 : U C2p_exo anti
+A41 : C C3p_endo anti
+A42 : U C3p_endo anti
+A43 : G C3p_endo anti
+A44 : G C3p_endo anti
+A45 : C C3p_endo anti
+A46 : C C3p_endo anti
+A47 : ARG
+Adjacent stackings ----------------------------------------------
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+A21-A22 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+A27-A28 : adjacent_5p upward 
+A28-A29 : adjacent_5p upward 
+A36-A37 : adjacent_5p upward 
+A37-A38 : adjacent_5p upward 
+A38-A39 : adjacent_5p upward 
+A39-A40 : adjacent_5p upward 
+A40-A41 : adjacent_5p upward 
+A43-A44 : adjacent_5p upward 
+A44-A45 : adjacent_5p upward 
+A45-A46 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A20-A43 : outward 
+Number of stackings = 17
+Number of adjacent stackings = 16
+Number of non adjacent stackings = 1
+Base-pairs ------------------------------------------------------
+A16-A46 : G-C Ww/Ww pairing antiparallel cis XIX 
+A17-A45 : G-C Ww/Ww pairing antiparallel cis XIX 
+A18-A44 : C-G Ww/Ww pairing antiparallel cis XIX 
+A19-A43 : C-G Ww/Ww pairing antiparallel cis XIX 
+A20-A42 : A-U Ww/Ww pairing antiparallel cis XX 
+A21-A41 : G-C Ww/Ww pairing antiparallel cis XIX 
+A22-A40 : A-U Ww/Ww pairing antiparallel cis XX 
+A26-A39 : G-C Ww/Ww pairing antiparallel cis XIX 
+A27-A38 : A-U Ww/Ww pairing antiparallel cis XX 
+A28-A37 : G-C Ww/Ww pairing antiparallel cis XIX 
+A29-A36 : C-G Ww/Ww pairing antiparallel cis XIX 
+A34-A36 : G-G O2'/C8 pairing 
+A35-A36 : A-G O2P/Hh adjacent_5p pairing 
+Residue conformations -------------------------------------------
+A16 : G C3p_endo anti
+A17 : G C3p_endo anti
+A18 : C C3p_endo anti
+A19 : C C2p_exo anti
+A20 : A C3p_endo anti
+A21 : G C2p_exo anti
+A22 : A C3p_endo anti
+A23 : U C2p_endo anti
+A25 : U C2p_endo anti
+A26 : G C3p_endo anti
+A27 : A C3p_endo anti
+A28 : G C3p_endo anti
+A29 : C C3p_endo anti
+A30 : C C2p_endo anti
+A31 : U C2p_endo anti
+A32 : G C2p_endo anti
+A33 : G C2p_endo anti
+A34 : G C2p_endo anti
+A35 : A C2p_exo anti
+A36 : G C2p_exo anti
+A37 : C C3p_endo anti
+A38 : U C3p_endo anti
+A39 : C C3p_endo anti
+A40 : U C3p_endo anti
+A41 : C C3p_endo anti
+A42 : U C3p_endo anti
+A43 : G C3p_endo anti
+A44 : G C3p_endo anti
+A45 : C C3p_endo anti
+A46 : C C3p_endo anti
+A47 : ARG
+Adjacent stackings ----------------------------------------------
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+A21-A22 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+A27-A28 : adjacent_5p upward 
+A28-A29 : adjacent_5p upward 
+A36-A37 : adjacent_5p upward 
+A38-A39 : adjacent_5p upward 
+A39-A40 : adjacent_5p upward 
+A40-A41 : adjacent_5p upward 
+A42-A43 : adjacent_5p upward 
+A43-A44 : adjacent_5p upward 
+A44-A45 : adjacent_5p upward 
+A45-A46 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A20-A43 : outward 
+Number of stackings = 16
+Number of adjacent stackings = 15
+Number of non adjacent stackings = 1
+Base-pairs ------------------------------------------------------
+A16-A45 : G-C Wh/Wh pairing antiparallel cis one_hbond 
+A16-A46 : G-C Ww/Ww pairing antiparallel cis XIX 
+A17-A45 : G-C Ww/Ww pairing antiparallel cis XIX 
+A18-A44 : C-G Ww/Ww pairing antiparallel cis XIX 
+A19-A43 : C-G Ww/Ww pairing antiparallel cis XIX 
+A20-A42 : A-U Ww/Ww pairing antiparallel cis one_hbond 
+A21-A41 : G-C Ww/Ww pairing antiparallel cis XIX 
+A22-A40 : A-U Ww/Ww pairing antiparallel cis XX 
+A25-A42 : U-U Hh/O2' pairing 
+A26-A39 : G-C Ww/Ww pairing antiparallel cis XIX 
+A27-A38 : A-U Ww/Ww pairing antiparallel cis XX 
+A28-A37 : G-C Ww/Ww pairing antiparallel cis XIX 
+A29-A36 : C-G Ww/Ww pairing antiparallel cis XIX 
+A34-A35 : G-A O2'/C8 adjacent_5p pairing 
+A38-A47 : U-ARG pairing one_hbond 
+Residue conformations -------------------------------------------
+A16 : G C3p_endo anti
+A17 : G C3p_endo anti
+A18 : C C3p_endo anti
+A19 : C C3p_endo anti
+A20 : A C3p_endo anti
+A21 : G C3p_endo anti
+A22 : A C2p_exo anti
+A23 : U C2p_endo anti
+A25 : U C2p_endo anti
+A26 : G C2p_exo anti
+A27 : A C2p_exo anti
+A28 : G C3p_endo anti
+A29 : C C3p_endo anti
+A30 : C C2p_endo anti
+A31 : U C2p_endo anti
+A32 : G C2p_endo anti
+A33 : G C2p_endo anti
+A34 : G C2p_endo syn
+A35 : A C2p_endo anti
+A36 : G C2p_exo anti
+A37 : C C3p_endo anti
+A38 : U C3p_endo anti
+A39 : C C3p_endo anti
+A40 : U C3p_endo anti
+A41 : C C2p_exo anti
+A42 : U C3p_endo anti
+A43 : G C3p_endo anti
+A44 : G C3p_endo anti
+A45 : C C3p_endo anti
+A46 : C C3p_endo anti
+A47 : ARG
+Adjacent stackings ----------------------------------------------
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+A21-A22 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+A27-A28 : adjacent_5p upward 
+A28-A29 : adjacent_5p upward 
+A36-A37 : adjacent_5p upward 
+A38-A39 : adjacent_5p upward 
+A39-A40 : adjacent_5p upward 
+A43-A44 : adjacent_5p upward 
+A44-A45 : adjacent_5p upward 
+A45-A46 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A20-A43 : outward 
+Number of stackings = 15
+Number of adjacent stackings = 14
+Number of non adjacent stackings = 1
+Base-pairs ------------------------------------------------------
+A16-A46 : G-C Ww/Ww pairing antiparallel cis XIX 
+A17-A45 : G-C Ww/Ww pairing antiparallel cis XIX 
+A18-A44 : C-G Ww/Ww pairing antiparallel cis XIX 
+A19-A43 : C-G Ww/Ww pairing antiparallel cis XIX 
+A20-A42 : A-U Ww/Ww pairing antiparallel cis XX 
+A21-A41 : G-C Ww/Ww pairing antiparallel cis XIX 
+A22-A40 : A-U Ww/Ww pairing antiparallel cis XX 
+A26-A39 : G-C Ww/Ww pairing antiparallel cis XIX 
+A27-A38 : A-U Ww/Ww pairing antiparallel cis XX 
+A28-A37 : G-C Ww/Ww pairing antiparallel cis XIX 
+A29-A36 : C-G Ww/Ww pairing antiparallel cis XIX 
+Residue conformations -------------------------------------------
+A16 : G C3p_endo anti
+A17 : G C3p_endo anti
+A18 : C C3p_endo anti
+A19 : C C2p_exo anti
+A20 : A C3p_endo anti
+A21 : G C3p_endo anti
+A22 : A C3p_endo anti
+A23 : U C2p_endo anti
+A25 : U C2p_endo anti
+A26 : G C3p_endo anti
+A27 : A C2p_exo anti
+A28 : G C3p_endo anti
+A29 : C C2p_exo anti
+A30 : C C2p_endo syn
+A31 : U C2p_endo anti
+A32 : G C2p_endo anti
+A33 : G C2p_endo anti
+A34 : G C2p_endo syn
+A35 : A C2p_endo anti
+A36 : G C3p_endo anti
+A37 : C C3p_endo anti
+A38 : U C3p_endo anti
+A39 : C C2p_exo anti
+A40 : U C3p_endo anti
+A41 : C C3p_endo anti
+A42 : U C3p_endo anti
+A43 : G C3p_endo anti
+A44 : G C3p_endo anti
+A45 : C C3p_endo anti
+A46 : C C3p_endo anti
+A47 : ARG
+Adjacent stackings ----------------------------------------------
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+A21-A22 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+A27-A28 : adjacent_5p upward 
+A28-A29 : adjacent_5p upward 
+A36-A37 : adjacent_5p upward 
+A37-A38 : adjacent_5p upward 
+A38-A39 : adjacent_5p upward 
+A39-A40 : adjacent_5p upward 
+A40-A41 : adjacent_5p upward 
+A41-A42 : adjacent_5p upward 
+A43-A44 : adjacent_5p upward 
+A44-A45 : adjacent_5p upward 
+A45-A46 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A19-A44 : outward 
+A20-A43 : outward 
+A23-A26 : downward 
+Number of stackings = 21
+Number of adjacent stackings = 18
+Number of non adjacent stackings = 3
+Base-pairs ------------------------------------------------------
+A16-A46 : G-C Ww/Ww pairing antiparallel cis XIX 
+A17-A45 : G-C Ww/Ww pairing antiparallel cis XIX 
+A18-A44 : C-G Ww/Ww pairing antiparallel cis XIX 
+A19-A43 : C-G Ww/Ww pairing antiparallel cis XIX 
+A20-A42 : A-U Ww/Ww pairing antiparallel cis XX 
+A21-A41 : G-C Ww/Ww pairing antiparallel cis XIX 
+A22-A40 : A-U Ww/Ww pairing antiparallel cis XX 
+A25-A42 : U-U Hh/O2' pairing 
+A26-A39 : G-C Ww/Ww pairing antiparallel cis XIX 
+A27-A38 : A-U Ww/Ww pairing antiparallel cis XX 
+A28-A30 : G-C Ss/Hw O2'/Bh pairing antiparallel trans one_hbond 
+A28-A37 : G-C Ww/Ww pairing antiparallel cis XIX 
+A29-A30 : C-C O2'/Hh adjacent_5p pairing 
+A29-A36 : C-G Ww/Ww pairing antiparallel cis 
+A30-A36 : C-G O2'/Bs pairing 
+A31-A34 : U-G O2P/Hh pairing 
+A32-A34 : G-G O2P/Bs O2P/Ss O2P/Bs pairing 
+Residue conformations -------------------------------------------
+A16 : G C3p_endo anti
+A17 : G C2p_exo anti
+A18 : C C3p_endo anti
+A19 : C C3p_endo anti
+A20 : A C2p_exo anti
+A21 : G C3p_endo anti
+A22 : A C3p_endo anti
+A23 : U C2p_endo anti
+A25 : U C2p_endo anti
+A26 : G C3p_endo anti
+A27 : A C3p_endo anti
+A28 : G C3p_endo anti
+A29 : C C3p_endo anti
+A30 : C C2p_endo anti
+A31 : U C2p_endo anti
+A32 : G C2p_endo anti
+A33 : G C2p_endo anti
+A34 : G C2p_endo syn
+A35 : A C3p_exo anti
+A36 : G C2p_exo anti
+A37 : C C3p_endo anti
+A38 : U C3p_endo anti
+A39 : C C3p_endo anti
+A40 : U C3p_endo anti
+A41 : C C3p_endo anti
+A42 : U C3p_endo anti
+A43 : G C3p_endo anti
+A44 : G C3p_endo anti
+A45 : C C3p_endo anti
+A46 : C C3p_endo anti
+A47 : ARG
+Adjacent stackings ----------------------------------------------
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+A21-A22 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+A27-A28 : adjacent_5p upward 
+A28-A29 : adjacent_5p upward 
+A29-A30 : adjacent_5p upward 
+A36-A37 : adjacent_5p upward 
+A38-A39 : adjacent_5p upward 
+A39-A40 : adjacent_5p upward 
+A40-A41 : adjacent_5p upward 
+A41-A42 : adjacent_5p upward 
+A43-A44 : adjacent_5p upward 
+A44-A45 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A20-A43 : outward 
+A22-A26 : upward 
+Number of stackings = 19
+Number of adjacent stackings = 17
+Number of non adjacent stackings = 2
+Base-pairs ------------------------------------------------------
+A16-A46 : G-C Ww/Ww pairing antiparallel cis XIX 
+A17-A45 : G-C Ww/Ww pairing antiparallel cis XIX 
+A18-A44 : C-G Ww/Ww pairing antiparallel cis XIX 
+A19-A43 : C-G Ww/Ww pairing antiparallel cis XIX 
+A20-A42 : A-U Ww/Ww pairing antiparallel cis XX 
+A21-A41 : G-C Ww/Ww pairing antiparallel cis XIX 
+A22-A40 : A-U Ww/Ww pairing antiparallel cis XX 
+A26-A39 : G-C Ww/Ww pairing antiparallel cis XIX 
+A27-A38 : A-U Ww/Ww pairing antiparallel cis XX 
+A28-A37 : G-C Ww/Ww pairing antiparallel cis XIX 
+A29-A36 : C-G Ww/Ww pairing antiparallel cis 
+A31-A34 : U-G Hh/Hh O2P/Ss O2P/C8 pairing parallel trans one_hbond 
+A32-A33 : G-G Sw/Hw adjacent_5p pairing parallel cis one_hbond 
+A32-A34 : G-G O2'/Ww O2'/Bs pairing 
+A33-A34 : G-G O2'/Bs O2'/Ss adjacent_5p pairing 
+A33-A35 : G-A Ss/Wh O2'/Bh pairing parallel trans one_hbond 
+A34-A36 : G-G O2'/C8 pairing 
+Residue conformations -------------------------------------------
+A16 : G C3p_endo anti
+A17 : G C3p_endo anti
+A18 : C C3p_endo anti
+A19 : C C2p_exo anti
+A20 : A C3p_endo anti
+A21 : G C3p_endo anti
+A22 : A C2p_exo anti
+A23 : U C2p_endo anti
+A25 : U C2p_endo anti
+A26 : G C3p_endo anti
+A27 : A C3p_endo anti
+A28 : G C3p_endo anti
+A29 : C C2p_exo anti
+A30 : C C2p_endo syn
+A31 : U C2p_endo anti
+A32 : G C3p_exo anti
+A33 : G C2p_endo anti
+A34 : G C2p_endo syn
+A35 : A C2p_endo anti
+A36 : G C2p_exo anti
+A37 : C C3p_endo anti
+A38 : U C3p_endo anti
+A39 : C C3p_endo anti
+A40 : U C3p_endo anti
+A41 : C C3p_endo anti
+A42 : U C3p_endo anti
+A43 : G C2p_exo anti
+A44 : G C3p_endo anti
+A45 : C C3p_endo anti
+A46 : C C3p_endo anti
+A47 : ARG
+Adjacent stackings ----------------------------------------------
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+A21-A22 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+A27-A28 : adjacent_5p upward 
+A28-A29 : adjacent_5p upward 
+A36-A37 : adjacent_5p upward 
+A38-A39 : adjacent_5p upward 
+A39-A40 : adjacent_5p upward 
+A42-A43 : adjacent_5p upward 
+A43-A44 : adjacent_5p upward 
+A44-A45 : adjacent_5p upward 
+A45-A46 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A20-A43 : outward 
+A31-A34 : outward 
+Number of stackings = 16
+Number of adjacent stackings = 14
+Number of non adjacent stackings = 2
+Base-pairs ------------------------------------------------------
+A16-A46 : G-C Ww/Ww pairing antiparallel cis XIX 
+A17-A45 : G-C Ww/Ww pairing antiparallel cis XIX 
+A18-A44 : C-G Ww/Ww pairing antiparallel cis XIX 
+A19-A43 : C-G Ww/Ww pairing antiparallel cis XIX 
+A20-A42 : A-U Ww/Ww pairing antiparallel cis XX 
+A21-A41 : G-C Ww/Ww pairing antiparallel cis XIX 
+A22-A40 : A-U Ww/Ww pairing antiparallel cis XX 
+A26-A39 : G-C Ww/Ww pairing antiparallel cis XIX 
+A27-A38 : A-U Ww/Ww pairing antiparallel cis XX 
+A28-A37 : G-C Ww/Ww pairing antiparallel cis XIX 
+A29-A30 : C-C O2'/Hh adjacent_5p pairing 
+A29-A36 : C-G Ww/Ww pairing antiparallel cis one_hbond 
+A30-A36 : C-G O2'/Bs pairing 
+A33-A34 : G-G O2P/Bs adjacent_5p pairing 
+A34-A36 : G-G O2'/Ss O2'/C8 pairing 
+Residue conformations -------------------------------------------
+A16 : G C3p_endo anti
+A17 : G C3p_endo anti
+A18 : C C3p_endo anti
+A19 : C C2p_exo anti
+A20 : A C3p_endo anti
+A21 : G C2p_exo anti
+A22 : A C2p_exo anti
+A23 : U C2p_endo anti
+A25 : U C2p_endo anti
+A26 : G C3p_endo anti
+A27 : A C3p_endo anti
+A28 : G C3p_endo anti
+A29 : C C3p_endo anti
+A30 : C C2p_endo syn
+A31 : U C2p_endo anti
+A32 : G C2p_endo anti
+A33 : G C2p_endo anti
+A34 : G C2p_endo anti
+A35 : A C2p_exo syn
+A36 : G C3p_endo anti
+A37 : C C2p_exo anti
+A38 : U C3p_endo anti
+A39 : C C3p_endo anti
+A40 : U C3p_endo anti
+A41 : C C3p_endo anti
+A42 : U C3p_endo anti
+A43 : G C2p_exo anti
+A44 : G C3p_endo anti
+A45 : C C3p_endo anti
+A46 : C C3p_endo anti
+A47 : ARG
+Adjacent stackings ----------------------------------------------
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+A21-A22 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+A27-A28 : adjacent_5p upward 
+A28-A29 : adjacent_5p upward 
+A36-A37 : adjacent_5p upward 
+A38-A39 : adjacent_5p upward 
+A39-A40 : adjacent_5p upward 
+A40-A41 : adjacent_5p upward 
+A42-A43 : adjacent_5p upward 
+A43-A44 : adjacent_5p upward 
+A44-A45 : adjacent_5p upward 
+A45-A46 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A19-A44 : outward 
+A20-A43 : outward 
+Number of stackings = 17
+Number of adjacent stackings = 15
+Number of non adjacent stackings = 2
+Base-pairs ------------------------------------------------------
+A16-A46 : G-C Ww/Ww pairing antiparallel cis XIX 
+A17-A45 : G-C Ww/Ww pairing antiparallel cis XIX 
+A18-A44 : C-G Ww/Ww pairing antiparallel cis XIX 
+A19-A43 : C-G Ww/Ww pairing antiparallel cis XIX 
+A20-A42 : A-U Ww/Ww pairing antiparallel cis XX 
+A21-A41 : G-C Ww/Ww pairing antiparallel cis XIX 
+A22-A40 : A-U Ww/Ww pairing antiparallel cis XX 
+A26-A39 : G-C Ww/Ww pairing antiparallel cis XIX 
+A26-A40 : G-U Bs/O2' pairing 
+A27-A38 : A-U Ww/Ww pairing antiparallel cis XX 
+A28-A37 : G-C Ww/Ww pairing antiparallel cis XIX 
+A29-A36 : C-G Ww/Ww pairing antiparallel cis XIX 
+Residue conformations -------------------------------------------
+A16 : G C3p_endo anti
+A17 : G C3p_endo anti
+A18 : C C3p_endo anti
+A19 : C C2p_exo anti
+A20 : A C3p_endo anti
+A21 : G C2p_exo anti
+A22 : A C3p_endo anti
+A23 : U C2p_endo anti
+A25 : U C2p_endo anti
+A26 : G C3p_endo anti
+A27 : A C2p_exo anti
+A28 : G C3p_endo anti
+A29 : C C2p_exo anti
+A30 : C C2p_endo syn
+A31 : U C2p_endo anti
+A32 : G C2p_endo anti
+A33 : G C2p_endo anti
+A34 : G C2p_endo anti
+A35 : A C2p_endo anti
+A36 : G C3p_endo anti
+A37 : C C3p_endo anti
+A38 : U C3p_endo anti
+A39 : C C3p_endo anti
+A40 : U C2p_exo anti
+A41 : C C3p_endo anti
+A42 : U C3p_endo anti
+A43 : G C3p_endo anti
+A44 : G C3p_endo anti
+A45 : C C3p_endo anti
+A46 : C C3p_endo anti
+A47 : ARG
+Adjacent stackings ----------------------------------------------
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+A21-A22 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+A27-A28 : adjacent_5p upward 
+A28-A29 : adjacent_5p upward 
+A36-A37 : adjacent_5p upward 
+A38-A39 : adjacent_5p upward 
+A39-A40 : adjacent_5p upward 
+A43-A44 : adjacent_5p upward 
+A44-A45 : adjacent_5p upward 
+A45-A46 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A20-A43 : outward 
+A21-A42 : outward 
+Number of stackings = 15
+Number of adjacent stackings = 13
+Number of non adjacent stackings = 2
+Base-pairs ------------------------------------------------------
+A16-A46 : G-C Ww/Ww pairing antiparallel cis XIX 
+A17-A45 : G-C Ww/Ww pairing antiparallel cis XIX 
+A18-A44 : C-G Ww/Ww pairing antiparallel cis XIX 
+A19-A43 : C-G Ww/Ww pairing antiparallel cis XIX 
+A20-A42 : A-U Ww/Ww pairing antiparallel cis XX 
+A21-A41 : G-C Ww/Ww pairing antiparallel cis XIX 
+A22-A40 : A-U Ww/Ww pairing antiparallel cis XX 
+A26-A39 : G-C Ww/Ww pairing antiparallel cis XIX 
+A26-A40 : G-U Bs/O2' pairing 
+A27-A38 : A-U Ww/Ww pairing antiparallel cis XX 
+A28-A37 : G-C Ww/Ww pairing antiparallel cis XIX 
+A29-A30 : C-C O2'/Hh adjacent_5p pairing 
+A29-A36 : C-G Ww/Ww pairing antiparallel cis 
+A30-A36 : C-G O2'/Bs pairing 
+Residue conformations -------------------------------------------
+A16 : G C3p_endo anti
+A17 : G C3p_endo anti
+A18 : C C3p_endo anti
+A19 : C C3p_endo anti
+A20 : A C3p_endo anti
+A21 : G C3p_endo anti
+A22 : A C3p_endo anti
+A23 : U C2p_endo anti
+A25 : U C2p_endo anti
+A26 : G C3p_endo anti
+A27 : A C2p_exo anti
+A28 : G C3p_endo anti
+A29 : C C2p_exo anti
+A30 : C C2p_endo syn
+A31 : U C2p_endo anti
+A32 : G C2p_endo anti
+A33 : G C2p_endo anti
+A34 : G C2p_endo syn
+A35 : A C2p_exo anti
+A36 : G C3p_endo anti
+A37 : C C3p_endo anti
+A38 : U C2p_exo anti
+A39 : C C3p_endo anti
+A40 : U C3p_endo anti
+A41 : C C2p_exo anti
+A42 : U C3p_endo anti
+A43 : G C3p_endo anti
+A44 : G C2p_exo anti
+A45 : C C3p_endo anti
+A46 : C C3p_endo anti
+A47 : ARG
+Adjacent stackings ----------------------------------------------
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+A21-A22 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+A27-A28 : adjacent_5p upward 
+A28-A29 : adjacent_5p upward 
+A36-A37 : adjacent_5p upward 
+A38-A39 : adjacent_5p upward 
+A39-A40 : adjacent_5p upward 
+A40-A41 : adjacent_5p upward 
+A41-A42 : adjacent_5p upward 
+A42-A43 : adjacent_5p upward 
+A43-A44 : adjacent_5p upward 
+A44-A45 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A20-A43 : outward 
+Number of stackings = 18
+Number of adjacent stackings = 17
+Number of non adjacent stackings = 1
+Base-pairs ------------------------------------------------------
+A16-A46 : G-C Ww/Ww pairing antiparallel cis XIX 
+A17-A45 : G-C Ww/Ww pairing antiparallel cis XIX 
+A18-A44 : C-G Ww/Ww pairing antiparallel cis XIX 
+A19-A43 : C-G Ww/Ww pairing antiparallel cis XIX 
+A20-A42 : A-U Ww/Ww pairing antiparallel cis XX 
+A21-A41 : G-C Ww/Ww pairing antiparallel cis XIX 
+A22-A40 : A-U Ww/Ww pairing antiparallel cis XX 
+A25-A42 : U-U Hh/O2' pairing 
+A26-A39 : G-C Ww/Ww pairing antiparallel cis XIX 
+A27-A38 : A-U Ww/Ww pairing antiparallel cis XX 
+A28-A37 : G-C Ww/Ww pairing antiparallel cis XIX 
+A29-A30 : C-C O2'/Hh adjacent_5p pairing 
+A29-A36 : C-G Ww/Ww pairing antiparallel cis 
+A30-A31 : C-U O2P/Ww adjacent_5p pairing 
+A30-A36 : C-G O2'/Bs pairing 
+A34-A35 : G-A O2P/Hh adjacent_5p pairing 
diff --git a/MCdata/1akx_MC b/MCdata/1akx_MC
new file mode 100644
index 0000000000000000000000000000000000000000..f212302f2c76782a0434125601fd38bd02ff8e75
--- /dev/null
+++ b/MCdata/1akx_MC
@@ -0,0 +1,68 @@
+Residue conformations -------------------------------------------
+A16 : G C3p_endo anti
+A17 : G C2p_exo anti
+A18 : C C3p_endo anti
+A19 : C C3p_endo anti
+A20 : A C3p_endo anti
+A21 : G C3p_endo anti
+A22 : A C3p_endo anti
+A23 : U C2p_endo anti
+A25 : U C2p_endo anti
+A26 : G C2p_exo anti
+A27 : A C2p_exo anti
+A28 : G C3p_endo anti
+A29 : C C3p_endo anti
+A30 : C C2p_endo anti
+A31 : U C2p_endo anti
+A32 : G C3p_exo anti
+A33 : G C2p_endo anti
+A34 : G C2p_endo syn
+A35 : A C2p_endo anti
+A36 : G C2p_exo anti
+A37 : C C3p_endo anti
+A38 : U C3p_endo anti
+A39 : C C3p_endo anti
+A40 : U C3p_endo anti
+A41 : C C3p_endo anti
+A42 : U C3p_endo anti
+A43 : G C3p_endo anti
+A44 : G C3p_endo anti
+A45 : C C3p_endo anti
+A46 : C C3p_endo anti
+A47 : ARG
+Adjacent stackings ----------------------------------------------
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+A21-A22 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+A27-A28 : adjacent_5p upward 
+A28-A29 : adjacent_5p upward 
+A29-A30 : adjacent_5p upward 
+A36-A37 : adjacent_5p upward 
+A37-A38 : adjacent_5p upward 
+A38-A39 : adjacent_5p upward 
+A39-A40 : adjacent_5p upward 
+A40-A41 : adjacent_5p upward 
+A42-A43 : adjacent_5p upward 
+A43-A44 : adjacent_5p upward 
+A44-A45 : adjacent_5p upward 
+A45-A46 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A20-A43 : outward 
+Number of stackings = 18
+Number of adjacent stackings = 17
+Number of non adjacent stackings = 1
+Base-pairs ------------------------------------------------------
+A16-A46 : G-C Ww/Ww pairing antiparallel cis XIX 
+A17-A45 : G-C Ww/Ww pairing antiparallel cis XIX 
+A18-A44 : C-G Ww/Ww pairing antiparallel cis XIX 
+A19-A43 : C-G Ww/Ww pairing antiparallel cis XIX 
+A20-A42 : A-U Ww/Ww pairing antiparallel cis XX 
+A21-A41 : G-C Ww/Ww pairing antiparallel cis XIX 
+A22-A40 : A-U Ww/Ww pairing antiparallel cis XX 
+A26-A39 : G-C Ww/Ww pairing antiparallel cis XIX 
+A27-A38 : A-U Ww/Ww pairing antiparallel cis XX 
+A28-A37 : G-C Ww/Ww pairing antiparallel cis XIX 
+A29-A36 : C-G Ww/Ww pairing antiparallel cis XIX 
+A30-A31 : C-U O2P/Ww adjacent_5p pairing 
diff --git a/MCdata/1al5_MC b/MCdata/1al5_MC
new file mode 100644
index 0000000000000000000000000000000000000000..a2ea30f88fb146fe6d3e986c0e962d98b865b7b1
--- /dev/null
+++ b/MCdata/1al5_MC
@@ -0,0 +1,794 @@
+Residue conformations -------------------------------------------
+A1 : C C3p_endo anti
+A2 : G C3p_endo anti
+A3 : C C3p_endo anti
+A4 : A C3p_endo anti
+A5 : A C3p_endo anti
+A6 : A C3p_endo anti
+A7 : U C3p_endo anti
+A8 : U C3p_endo anti
+A9 : U C3p_endo anti
+A10 : G C3p_endo anti
+A11 : C C3p_endo anti
+A12 : G C3p_endo anti
+B1 : C C3p_endo anti
+B2 : G C3p_endo anti
+B3 : C C3p_endo anti
+B4 : A C3p_endo anti
+B5 : A C3p_endo anti
+B6 : A C3p_endo anti
+B7 : U C3p_endo anti
+B8 : U C3p_endo anti
+B9 : U C3p_endo anti
+B10 : G C3p_endo anti
+B11 : C C3p_endo anti
+B12 : G C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+B1-B2 : adjacent_5p upward 
+B2-B3 : adjacent_5p upward 
+B3-B4 : adjacent_5p upward 
+B4-B5 : adjacent_5p upward 
+B5-B6 : adjacent_5p upward 
+B6-B7 : adjacent_5p upward 
+B10-B11 : adjacent_5p upward 
+B11-B12 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A2-B12 : outward 
+A4-B10 : outward 
+A10-B4 : outward 
+A12-B2 : outward 
+Number of stackings = 23
+Number of adjacent stackings = 19
+Number of non adjacent stackings = 4
+Base-pairs ------------------------------------------------------
+A1-B12 : C-G Ww/Ww pairing antiparallel cis XIX 
+A2-B11 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-B10 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-B9 : A-U Ww/Ww pairing antiparallel cis XX 
+A5-B8 : A-U Ww/Ww pairing antiparallel cis XX 
+A6-B7 : A-U Ww/Ww pairing antiparallel cis XX 
+A7-B6 : U-A Ww/Ww pairing antiparallel cis XX 
+A8-B5 : U-A Ww/Ww pairing antiparallel cis XX 
+A9-B4 : U-A Ww/Ww pairing antiparallel cis XX 
+A10-B3 : G-C Ww/Ww pairing antiparallel cis XIX 
+A11-B2 : C-G Ww/Ww pairing antiparallel cis XIX 
+A12-B1 : G-C Ww/Ww pairing antiparallel cis XIX 
+Residue conformations -------------------------------------------
+A1 : C C3p_endo anti
+A2 : G C3p_endo anti
+A3 : C C3p_endo anti
+A4 : A C3p_endo anti
+A5 : A C3p_endo anti
+A6 : A C3p_endo anti
+A7 : U C3p_endo anti
+A8 : U C3p_endo anti
+A9 : U C3p_endo anti
+A10 : G C3p_endo anti
+A11 : C C3p_endo anti
+A12 : G C3p_endo anti
+B1 : C C3p_endo anti
+B2 : G C3p_endo anti
+B3 : C C3p_endo anti
+B4 : A C3p_endo anti
+B5 : A C3p_endo anti
+B6 : A C3p_endo anti
+B7 : U C3p_endo anti
+B8 : U C3p_endo anti
+B9 : U C3p_endo anti
+B10 : G C3p_endo anti
+B11 : C C3p_endo anti
+B12 : G C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+B1-B2 : adjacent_5p upward 
+B2-B3 : adjacent_5p upward 
+B3-B4 : adjacent_5p upward 
+B4-B5 : adjacent_5p upward 
+B5-B6 : adjacent_5p upward 
+B6-B7 : adjacent_5p upward 
+B10-B11 : adjacent_5p upward 
+B11-B12 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A2-B12 : outward 
+A4-B10 : outward 
+A10-B4 : outward 
+A12-B2 : outward 
+Number of stackings = 23
+Number of adjacent stackings = 19
+Number of non adjacent stackings = 4
+Base-pairs ------------------------------------------------------
+A1-B12 : C-G Ww/Ww pairing antiparallel cis XIX 
+A2-B11 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-B10 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-B9 : A-U Ww/Ww pairing antiparallel cis XX 
+A5-B8 : A-U Ww/Ww pairing antiparallel cis XX 
+A6-B7 : A-U Ww/Ww pairing antiparallel cis XX 
+A7-B6 : U-A Ww/Ww pairing antiparallel cis XX 
+A8-B5 : U-A Ww/Ww pairing antiparallel cis XX 
+A9-B4 : U-A Ww/Ww pairing antiparallel cis XX 
+A10-B3 : G-C Ww/Ww pairing antiparallel cis XIX 
+A11-B2 : C-G Ww/Ww pairing antiparallel cis XIX 
+A12-B1 : G-C Ww/Ww pairing antiparallel cis XIX 
+Residue conformations -------------------------------------------
+A1 : C C3p_endo anti
+A2 : G C3p_endo anti
+A3 : C C3p_endo anti
+A4 : A C3p_endo anti
+A5 : A C3p_endo anti
+A6 : A C3p_endo anti
+A7 : U C3p_endo anti
+A8 : U C3p_endo anti
+A9 : U C3p_endo anti
+A10 : G C3p_endo anti
+A11 : C C3p_endo anti
+A12 : G C3p_endo anti
+B1 : C C3p_endo anti
+B2 : G C3p_endo anti
+B3 : C C3p_endo anti
+B4 : A C3p_endo anti
+B5 : A C3p_endo anti
+B6 : A C3p_endo anti
+B7 : U C3p_endo anti
+B8 : U C3p_endo anti
+B9 : U C3p_endo anti
+B10 : G C3p_endo anti
+B11 : C C3p_endo anti
+B12 : G C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+B1-B2 : adjacent_5p upward 
+B2-B3 : adjacent_5p upward 
+B3-B4 : adjacent_5p upward 
+B4-B5 : adjacent_5p upward 
+B5-B6 : adjacent_5p upward 
+B6-B7 : adjacent_5p upward 
+B10-B11 : adjacent_5p upward 
+B11-B12 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A2-B12 : outward 
+A4-B10 : outward 
+A10-B4 : outward 
+A12-B2 : outward 
+Number of stackings = 23
+Number of adjacent stackings = 19
+Number of non adjacent stackings = 4
+Base-pairs ------------------------------------------------------
+A1-B12 : C-G Ww/Ww pairing antiparallel cis XIX 
+A2-B11 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-B10 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-B9 : A-U Ww/Ww pairing antiparallel cis XX 
+A5-B8 : A-U Ww/Ww pairing antiparallel cis XX 
+A6-B7 : A-U Ww/Ww pairing antiparallel cis XX 
+A7-B6 : U-A Ww/Ww pairing antiparallel cis XX 
+A8-B5 : U-A Ww/Ww pairing antiparallel cis XX 
+A9-B4 : U-A Ww/Ww pairing antiparallel cis XX 
+A10-B3 : G-C Ww/Ww pairing antiparallel cis XIX 
+A11-B2 : C-G Ww/Ww pairing antiparallel cis XIX 
+A12-B1 : G-C Ww/Ww pairing antiparallel cis XIX 
+Residue conformations -------------------------------------------
+A1 : C C3p_endo anti
+A2 : G C3p_endo anti
+A3 : C C3p_endo anti
+A4 : A C3p_endo anti
+A5 : A C3p_endo anti
+A6 : A C3p_endo anti
+A7 : U C3p_endo anti
+A8 : U C3p_endo anti
+A9 : U C3p_endo anti
+A10 : G C3p_endo anti
+A11 : C C3p_endo anti
+A12 : G C3p_endo anti
+B1 : C C3p_endo anti
+B2 : G C3p_endo anti
+B3 : C C3p_endo anti
+B4 : A C3p_endo anti
+B5 : A C3p_endo anti
+B6 : A C3p_endo anti
+B7 : U C3p_endo anti
+B8 : U C3p_endo anti
+B9 : U C3p_endo anti
+B10 : G C3p_endo anti
+B11 : C C3p_endo anti
+B12 : G C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+B1-B2 : adjacent_5p upward 
+B2-B3 : adjacent_5p upward 
+B3-B4 : adjacent_5p upward 
+B4-B5 : adjacent_5p upward 
+B5-B6 : adjacent_5p upward 
+B6-B7 : adjacent_5p upward 
+B7-B8 : adjacent_5p upward 
+B8-B9 : adjacent_5p upward 
+B9-B10 : adjacent_5p upward 
+B10-B11 : adjacent_5p upward 
+B11-B12 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A2-B12 : outward 
+A4-B10 : outward 
+A10-B4 : outward 
+A12-B2 : outward 
+Number of stackings = 26
+Number of adjacent stackings = 22
+Number of non adjacent stackings = 4
+Base-pairs ------------------------------------------------------
+A1-B12 : C-G Ww/Ww pairing antiparallel cis XIX 
+A2-B11 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-B10 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-B9 : A-U Ww/Ww pairing antiparallel cis XX 
+A5-B8 : A-U Ww/Ww pairing antiparallel cis XX 
+A6-B7 : A-U Ww/Ww pairing antiparallel cis XX 
+A7-B6 : U-A Ww/Ww pairing antiparallel cis XX 
+A8-B5 : U-A Ww/Ww pairing antiparallel cis XX 
+A9-B4 : U-A Ww/Ww pairing antiparallel cis XX 
+A10-B3 : G-C Ww/Ww pairing antiparallel cis XIX 
+A11-B2 : C-G Ww/Ww pairing antiparallel cis XIX 
+A12-B1 : G-C Ww/Ww pairing antiparallel cis XIX 
+Residue conformations -------------------------------------------
+A1 : C C3p_endo anti
+A2 : G C3p_endo anti
+A3 : C C3p_endo anti
+A4 : A C3p_endo anti
+A5 : A C3p_endo anti
+A6 : A C3p_endo anti
+A7 : U C3p_endo anti
+A8 : U C3p_endo anti
+A9 : U C3p_endo anti
+A10 : G C3p_endo anti
+A11 : C C3p_endo anti
+A12 : G C3p_endo anti
+B1 : C C3p_endo anti
+B2 : G C3p_endo anti
+B3 : C C3p_endo anti
+B4 : A C3p_endo anti
+B5 : A C3p_endo anti
+B6 : A C2p_exo anti
+B7 : U C3p_endo anti
+B8 : U C3p_endo anti
+B9 : U C3p_endo anti
+B10 : G C3p_endo anti
+B11 : C C3p_endo anti
+B12 : G C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+B1-B2 : adjacent_5p upward 
+B2-B3 : adjacent_5p upward 
+B3-B4 : adjacent_5p upward 
+B4-B5 : adjacent_5p upward 
+B5-B6 : adjacent_5p upward 
+B6-B7 : adjacent_5p upward 
+B8-B9 : adjacent_5p upward 
+B9-B10 : adjacent_5p upward 
+B10-B11 : adjacent_5p upward 
+B11-B12 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A2-B12 : outward 
+A4-B10 : outward 
+A10-B4 : outward 
+A12-B2 : outward 
+Number of stackings = 24
+Number of adjacent stackings = 20
+Number of non adjacent stackings = 4
+Base-pairs ------------------------------------------------------
+A1-B12 : C-G Ww/Ww pairing antiparallel cis XIX 
+A2-B11 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-B10 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-B9 : A-U Ww/Ww pairing antiparallel cis XX 
+A5-B8 : A-U Ww/Ww pairing antiparallel cis XX 
+A6-B7 : A-U Ww/Ww pairing antiparallel cis XX 
+A7-B6 : U-A Ww/Ww pairing antiparallel cis XX 
+A8-B5 : U-A Ww/Ww pairing antiparallel cis XX 
+A9-B4 : U-A Ww/Ww pairing antiparallel cis XX 
+A10-B3 : G-C Ww/Ww pairing antiparallel cis XIX 
+A11-B2 : C-G Ww/Ww pairing antiparallel cis XIX 
+A12-B1 : G-C Ww/Ww pairing antiparallel cis XIX 
+Residue conformations -------------------------------------------
+A1 : C C3p_endo anti
+A2 : G C3p_endo anti
+A3 : C C3p_endo anti
+A4 : A C3p_endo anti
+A5 : A C3p_endo anti
+A6 : A C3p_endo anti
+A7 : U C3p_endo anti
+A8 : U C3p_endo anti
+A9 : U C3p_endo anti
+A10 : G C3p_endo anti
+A11 : C C3p_endo anti
+A12 : G C3p_endo anti
+B1 : C C3p_endo anti
+B2 : G C3p_endo anti
+B3 : C C3p_endo anti
+B4 : A C3p_endo anti
+B5 : A C3p_endo anti
+B6 : A C3p_endo anti
+B7 : U C3p_endo anti
+B8 : U C3p_endo anti
+B9 : U C3p_endo anti
+B10 : G C3p_endo anti
+B11 : C C3p_endo anti
+B12 : G C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+B1-B2 : adjacent_5p upward 
+B2-B3 : adjacent_5p upward 
+B3-B4 : adjacent_5p upward 
+B4-B5 : adjacent_5p upward 
+B5-B6 : adjacent_5p upward 
+B6-B7 : adjacent_5p upward 
+B8-B9 : adjacent_5p upward 
+B9-B10 : adjacent_5p upward 
+B10-B11 : adjacent_5p upward 
+B11-B12 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A2-B12 : outward 
+A4-B10 : outward 
+A10-B4 : outward 
+A12-B2 : outward 
+Number of stackings = 24
+Number of adjacent stackings = 20
+Number of non adjacent stackings = 4
+Base-pairs ------------------------------------------------------
+A1-B12 : C-G Ww/Ww pairing antiparallel cis XIX 
+A2-B11 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-B10 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-B9 : A-U Ww/Ww pairing antiparallel cis XX 
+A5-B8 : A-U Ww/Ww pairing antiparallel cis XX 
+A6-B7 : A-U Ww/Ww pairing antiparallel cis XX 
+A7-B6 : U-A Ww/Ww pairing antiparallel cis XX 
+A8-B5 : U-A Ww/Ww pairing antiparallel cis XX 
+A9-B4 : U-A Ww/Ww pairing antiparallel cis XX 
+A10-B3 : G-C Ww/Ww pairing antiparallel cis XIX 
+A11-B2 : C-G Ww/Ww pairing antiparallel cis XIX 
+A12-B1 : G-C Ww/Ww pairing antiparallel cis XIX 
+Residue conformations -------------------------------------------
+A1 : C C3p_endo anti
+A2 : G C3p_endo anti
+A3 : C C3p_endo anti
+A4 : A C3p_endo anti
+A5 : A C3p_endo anti
+A6 : A C3p_endo anti
+A7 : U C3p_endo anti
+A8 : U C3p_endo anti
+A9 : U C3p_endo anti
+A10 : G C3p_endo anti
+A11 : C C3p_endo anti
+A12 : G C3p_endo anti
+B1 : C C3p_endo anti
+B2 : G C3p_endo anti
+B3 : C C3p_endo anti
+B4 : A C3p_endo anti
+B5 : A C3p_endo anti
+B6 : A C2p_exo anti
+B7 : U C3p_endo anti
+B8 : U C3p_endo anti
+B9 : U C3p_endo anti
+B10 : G C3p_endo anti
+B11 : C C3p_endo anti
+B12 : G C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+B1-B2 : adjacent_5p upward 
+B2-B3 : adjacent_5p upward 
+B3-B4 : adjacent_5p upward 
+B4-B5 : adjacent_5p upward 
+B5-B6 : adjacent_5p upward 
+B6-B7 : adjacent_5p upward 
+B9-B10 : adjacent_5p upward 
+B10-B11 : adjacent_5p upward 
+B11-B12 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A2-B12 : outward 
+A4-B10 : outward 
+A10-B4 : outward 
+A12-B2 : outward 
+Number of stackings = 21
+Number of adjacent stackings = 17
+Number of non adjacent stackings = 4
+Base-pairs ------------------------------------------------------
+A1-B12 : C-G Ww/Ww pairing antiparallel cis XIX 
+A2-B11 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-B10 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-B9 : A-U Ww/Ww pairing antiparallel cis XX 
+A5-B8 : A-U Ww/Ww pairing antiparallel cis XX 
+A6-B7 : A-U Ww/Ww pairing antiparallel cis XX 
+A7-B6 : U-A Ww/Ww pairing antiparallel cis XX 
+A8-B5 : U-A Ww/Ww pairing antiparallel cis XX 
+A9-B4 : U-A Ww/Ww pairing antiparallel cis XX 
+A10-B3 : G-C Ww/Ww pairing antiparallel cis XIX 
+A11-B2 : C-G Ww/Ww pairing antiparallel cis XIX 
+A12-B1 : G-C Ww/Ww pairing antiparallel cis XIX 
+Residue conformations -------------------------------------------
+A1 : C C3p_endo anti
+A2 : G C3p_endo anti
+A3 : C C3p_endo anti
+A4 : A C3p_endo anti
+A5 : A C3p_endo anti
+A6 : A C3p_endo anti
+A7 : U C3p_endo anti
+A8 : U C3p_endo anti
+A9 : U C3p_endo anti
+A10 : G C3p_endo anti
+A11 : C C3p_endo anti
+A12 : G C3p_endo anti
+B1 : C C3p_endo anti
+B2 : G C3p_endo anti
+B3 : C C3p_endo anti
+B4 : A C3p_endo anti
+B5 : A C3p_endo anti
+B6 : A C2p_exo anti
+B7 : U C3p_endo anti
+B8 : U C3p_endo anti
+B9 : U C3p_endo anti
+B10 : G C3p_endo anti
+B11 : C C3p_endo anti
+B12 : G C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+B1-B2 : adjacent_5p upward 
+B2-B3 : adjacent_5p upward 
+B3-B4 : adjacent_5p upward 
+B4-B5 : adjacent_5p upward 
+B5-B6 : adjacent_5p upward 
+B6-B7 : adjacent_5p upward 
+B9-B10 : adjacent_5p upward 
+B10-B11 : adjacent_5p upward 
+B11-B12 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A2-B12 : outward 
+A4-B10 : outward 
+A10-B4 : outward 
+A12-B2 : outward 
+Number of stackings = 21
+Number of adjacent stackings = 17
+Number of non adjacent stackings = 4
+Base-pairs ------------------------------------------------------
+A1-B12 : C-G Ww/Ww pairing antiparallel cis XIX 
+A2-B11 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-B10 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-B9 : A-U Ww/Ww pairing antiparallel cis XX 
+A5-B8 : A-U Ww/Ww pairing antiparallel cis XX 
+A6-B7 : A-U Ww/Ww pairing antiparallel cis XX 
+A7-B6 : U-A Ww/Ww pairing antiparallel cis XX 
+A8-B5 : U-A Ww/Ww pairing antiparallel cis XX 
+A9-B4 : U-A Ww/Ww pairing antiparallel cis XX 
+A10-B3 : G-C Ww/Ww pairing antiparallel cis XIX 
+A11-B2 : C-G Ww/Ww pairing antiparallel cis XIX 
+A12-B1 : G-C Ww/Ww pairing antiparallel cis XIX 
+Residue conformations -------------------------------------------
+A1 : C C3p_endo anti
+A2 : G C3p_endo anti
+A3 : C C3p_endo anti
+A4 : A C3p_endo anti
+A5 : A C3p_endo anti
+A6 : A C2p_exo anti
+A7 : U C3p_endo anti
+A8 : U C3p_endo anti
+A9 : U C3p_endo anti
+A10 : G C3p_endo anti
+A11 : C C3p_endo anti
+A12 : G C3p_endo anti
+B1 : C C3p_endo anti
+B2 : G C3p_endo anti
+B3 : C C3p_endo anti
+B4 : A C3p_endo anti
+B5 : A C3p_endo anti
+B6 : A C2p_exo anti
+B7 : U C3p_endo anti
+B8 : U C3p_endo anti
+B9 : U C3p_endo anti
+B10 : G C3p_endo anti
+B11 : C C3p_endo anti
+B12 : G C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+B1-B2 : adjacent_5p upward 
+B2-B3 : adjacent_5p upward 
+B3-B4 : adjacent_5p upward 
+B4-B5 : adjacent_5p upward 
+B5-B6 : adjacent_5p upward 
+B6-B7 : adjacent_5p upward 
+B8-B9 : adjacent_5p upward 
+B9-B10 : adjacent_5p upward 
+B10-B11 : adjacent_5p upward 
+B11-B12 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A2-B12 : outward 
+A4-B10 : outward 
+A10-B4 : outward 
+A12-B2 : outward 
+Number of stackings = 24
+Number of adjacent stackings = 20
+Number of non adjacent stackings = 4
+Base-pairs ------------------------------------------------------
+A1-B12 : C-G Ww/Ww pairing antiparallel cis XIX 
+A2-B11 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-B10 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-B9 : A-U Ww/Ww pairing antiparallel cis XX 
+A5-B8 : A-U Ww/Ww pairing antiparallel cis XX 
+A6-B7 : A-U Ww/Ww pairing antiparallel cis XX 
+A7-B6 : U-A Ww/Ww pairing antiparallel cis XX 
+A8-B5 : U-A Ww/Ww pairing antiparallel cis XX 
+A9-B4 : U-A Ww/Ww pairing antiparallel cis XX 
+A10-B3 : G-C Ww/Ww pairing antiparallel cis XIX 
+A11-B2 : C-G Ww/Ww pairing antiparallel cis XIX 
+A12-B1 : G-C Ww/Ww pairing antiparallel cis XIX 
+Residue conformations -------------------------------------------
+A1 : C C3p_endo anti
+A2 : G C3p_endo anti
+A3 : C C3p_endo anti
+A4 : A C3p_endo anti
+A5 : A C3p_endo anti
+A6 : A C2p_exo anti
+A7 : U C3p_endo anti
+A8 : U C3p_endo anti
+A9 : U C3p_endo anti
+A10 : G C3p_endo anti
+A11 : C C3p_endo anti
+A12 : G C3p_endo anti
+B1 : C C3p_endo anti
+B2 : G C3p_endo anti
+B3 : C C3p_endo anti
+B4 : A C3p_endo anti
+B5 : A C3p_endo anti
+B6 : A C2p_exo anti
+B7 : U C3p_endo anti
+B8 : U C3p_endo anti
+B9 : U C3p_endo anti
+B10 : G C3p_endo anti
+B11 : C C3p_endo anti
+B12 : G C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+B1-B2 : adjacent_5p upward 
+B2-B3 : adjacent_5p upward 
+B3-B4 : adjacent_5p upward 
+B4-B5 : adjacent_5p upward 
+B5-B6 : adjacent_5p upward 
+B6-B7 : adjacent_5p upward 
+B9-B10 : adjacent_5p upward 
+B10-B11 : adjacent_5p upward 
+B11-B12 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A2-B12 : outward 
+A4-B10 : outward 
+A10-B4 : outward 
+A12-B2 : outward 
+Number of stackings = 23
+Number of adjacent stackings = 19
+Number of non adjacent stackings = 4
+Base-pairs ------------------------------------------------------
+A1-B12 : C-G Ww/Ww pairing antiparallel cis XIX 
+A2-B11 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-B10 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-B9 : A-U Ww/Ww pairing antiparallel cis XX 
+A5-B8 : A-U Ww/Ww pairing antiparallel cis XX 
+A6-B7 : A-U Ww/Ww pairing antiparallel cis XX 
+A7-B6 : U-A Ww/Ww pairing antiparallel cis XX 
+A8-B5 : U-A Ww/Ww pairing antiparallel cis XX 
+A9-B4 : U-A Ww/Ww pairing antiparallel cis XX 
+A10-B3 : G-C Ww/Ww pairing antiparallel cis XIX 
+A11-B2 : C-G Ww/Ww pairing antiparallel cis XIX 
+A12-B1 : G-C Ww/Ww pairing antiparallel cis XIX 
+Residue conformations -------------------------------------------
+A1 : C C3p_endo anti
+A2 : G C3p_endo anti
+A3 : C C3p_endo anti
+A4 : A C3p_endo anti
+A5 : A C3p_endo anti
+A6 : A C3p_endo anti
+A7 : U C3p_endo anti
+A8 : U C3p_endo anti
+A9 : U C3p_endo anti
+A10 : G C3p_endo anti
+A11 : C C3p_endo anti
+A12 : G C3p_endo anti
+B1 : C C3p_endo anti
+B2 : G C3p_endo anti
+B3 : C C3p_endo anti
+B4 : A C3p_endo anti
+B5 : A C3p_endo anti
+B6 : A C2p_exo anti
+B7 : U C3p_endo anti
+B8 : U C3p_endo anti
+B9 : U C3p_endo anti
+B10 : G C3p_endo anti
+B11 : C C3p_endo anti
+B12 : G C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+B1-B2 : adjacent_5p upward 
+B2-B3 : adjacent_5p upward 
+B3-B4 : adjacent_5p upward 
+B4-B5 : adjacent_5p upward 
+B5-B6 : adjacent_5p upward 
+B6-B7 : adjacent_5p upward 
+B8-B9 : adjacent_5p upward 
+B9-B10 : adjacent_5p upward 
+B10-B11 : adjacent_5p upward 
+B11-B12 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A2-B12 : outward 
+A4-B10 : outward 
+A10-B4 : outward 
+A12-B2 : outward 
+Number of stackings = 24
+Number of adjacent stackings = 20
+Number of non adjacent stackings = 4
+Base-pairs ------------------------------------------------------
+A1-B12 : C-G Ww/Ww pairing antiparallel cis XIX 
+A2-B11 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-B10 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-B9 : A-U Ww/Ww pairing antiparallel cis XX 
+A5-B8 : A-U Ww/Ww pairing antiparallel cis XX 
+A6-B7 : A-U Ww/Ww pairing antiparallel cis XX 
+A7-B6 : U-A Ww/Ww pairing antiparallel cis XX 
+A8-B5 : U-A Ww/Ww pairing antiparallel cis XX 
+A9-B4 : U-A Ww/Ww pairing antiparallel cis XX 
+A10-B3 : G-C Ww/Ww pairing antiparallel cis XIX 
+A11-B2 : C-G Ww/Ww pairing antiparallel cis XIX 
+A12-B1 : G-C Ww/Ww pairing antiparallel cis XIX 
+Residue conformations -------------------------------------------
+A1 : C C3p_endo anti
+A2 : G C3p_endo anti
+A3 : C C3p_endo anti
+A4 : A C3p_endo anti
+A5 : A C3p_endo anti
+A6 : A C2p_exo anti
+A7 : U C3p_endo anti
+A8 : U C3p_endo anti
+A9 : U C3p_endo anti
+A10 : G C3p_endo anti
+A11 : C C3p_endo anti
+A12 : G C3p_endo anti
+B1 : C C3p_endo anti
+B2 : G C3p_endo anti
+B3 : C C3p_endo anti
+B4 : A C3p_endo anti
+B5 : A C3p_endo anti
+B6 : A C3p_endo anti
+B7 : U C3p_endo anti
+B8 : U C3p_endo anti
+B9 : U C3p_endo anti
+B10 : G C3p_endo anti
+B11 : C C3p_endo anti
+B12 : G C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+B1-B2 : adjacent_5p upward 
+B2-B3 : adjacent_5p upward 
+B3-B4 : adjacent_5p upward 
+B4-B5 : adjacent_5p upward 
+B5-B6 : adjacent_5p upward 
+B6-B7 : adjacent_5p upward 
+B8-B9 : adjacent_5p upward 
+B9-B10 : adjacent_5p upward 
+B10-B11 : adjacent_5p upward 
+B11-B12 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A2-B12 : outward 
+A4-B10 : outward 
+A10-B4 : outward 
+A12-B2 : outward 
+Number of stackings = 22
+Number of adjacent stackings = 18
+Number of non adjacent stackings = 4
+Base-pairs ------------------------------------------------------
+A1-B12 : C-G Ww/Ww pairing antiparallel cis XIX 
+A2-B11 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-B10 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-B9 : A-U Ww/Ww pairing antiparallel cis XX 
+A5-B8 : A-U Ww/Ww pairing antiparallel cis XX 
+A6-B7 : A-U Ww/Ww pairing antiparallel cis XX 
+A7-B6 : U-A Ww/Ww pairing antiparallel cis XX 
+A8-B5 : U-A Ww/Ww pairing antiparallel cis XX 
+A9-B4 : U-A Ww/Ww pairing antiparallel cis XX 
+A10-B3 : G-C Ww/Ww pairing antiparallel cis XIX 
+A11-B2 : C-G Ww/Ww pairing antiparallel cis XIX 
+A12-B1 : G-C Ww/Ww pairing antiparallel cis XIX 
diff --git a/MCdata/1am0_MC b/MCdata/1am0_MC
new file mode 100644
index 0000000000000000000000000000000000000000..39b935208f7c6995a44751ccfd5bac2512590639
--- /dev/null
+++ b/MCdata/1am0_MC
@@ -0,0 +1,384 @@
+Residue conformations -------------------------------------------
+A6 : G O4p_endo anti
+A7 : G O4p_endo anti
+A8 : G C3p_endo anti
+A9 : A C3p_exo anti
+A10 : A C4p_exo anti
+A11 : G O4p_endo anti
+A12 : A O4p_endo anti
+A13 : A C3p_exo anti
+A14 : A C4p_exo anti
+A15 : C C2p_endo anti
+A16 : U C3p_endo anti
+A17 : G C3p_endo anti
+A18 : U C3p_endo anti
+A33 : A C2p_exo anti
+A34 : G C1p_exo syn
+A35 : C C2p_exo anti
+A41 : AMP
+Adjacent stackings ----------------------------------------------
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward pairing 
+A16-A17 : adjacent_5p upward 
+A33-A34 : adjacent_5p inward 
+Non-Adjacent stackings ------------------------------------------
+A11-A35 : upward pairing 
+A12-A34 : upward pairing 
+Number of stackings = 10
+Number of adjacent stackings = 8
+Number of non adjacent stackings = 2
+Base-pairs ------------------------------------------------------
+A6-A35 : G-C Ww/Ww pairing antiparallel cis XIX 
+A7-A11 : G-G Ww/Hh pairing antiparallel trans 
+A8-A9 : G-A Ww/O2' Ss/O2' adjacent_5p pairing 
+A8-A10 : G-A O2'/Hh pairing 
+A8-A11 : G-G Ww/O2P pairing 
+A9-A16 : A-U Bs/Ss pairing parallel trans one_hbond 
+A10-A15 : A-C O2'/Bh pairing 
+A10-A17 : A-G Bs/Ss Ww/O2' pairing parallel trans one_hbond 
+A11-A12 : G-A O2'/Hh adjacent_5p pairing 
+A11-A13 : G-A O2P/Bh O2P/Hh pairing 
+A11-A34 : G-G Bs/O2' Ss/O2' pairing 
+A11-A35 : G-C O2'/Bh Bs/O2P upward pairing 
+A12-A16 : A-U Bs/Wh pairing parallel trans one_hbond 
+A12-A34 : A-G O2'/Bs Bh/O2' Hh/O2' upward pairing 
+A15-A16 : C-U O2'/Hh adjacent_5p upward pairing 
+A17-A34 : G-G Ww/Hh pairing parallel cis one_hbond 
+A18-A33 : U-A Ww/Ww pairing antiparallel cis XX 
+Residue conformations -------------------------------------------
+A6 : G O4p_endo anti
+A7 : G O4p_endo anti
+A8 : G C2p_exo anti
+A9 : A C3p_exo anti
+A10 : A O4p_endo anti
+A11 : G O4p_endo anti
+A12 : A O4p_endo anti
+A13 : A C3p_exo anti
+A14 : A O4p_endo anti
+A15 : C O4p_endo anti
+A16 : U C3p_endo anti
+A17 : G C3p_endo anti
+A18 : U C3p_endo anti
+A33 : A C2p_exo anti
+A34 : G C1p_exo syn
+A35 : C C2p_exo anti
+A41 : AMP
+Adjacent stackings ----------------------------------------------
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A33-A34 : adjacent_5p inward 
+Non-Adjacent stackings ------------------------------------------
+A11-A35 : upward pairing 
+A12-A34 : upward pairing 
+Number of stackings = 10
+Number of adjacent stackings = 8
+Number of non adjacent stackings = 2
+Base-pairs ------------------------------------------------------
+A6-A35 : G-C Ww/Ww pairing antiparallel cis XIX 
+A7-A11 : G-G Ww/Hh pairing antiparallel trans VII 
+A8-A9 : G-A Ww/O2' Ss/O2' adjacent_5p pairing 
+A8-A10 : G-A O2'/Hh pairing 
+A8-A11 : G-G Ww/O2P pairing 
+A9-A16 : A-U Bs/Ss pairing antiparallel trans one_hbond 
+A10-A15 : A-C O2'/Bh pairing 
+A10-A17 : A-G Bs/Ss pairing parallel trans one_hbond 
+A11-A14 : G-A O2P/Bh pairing 
+A11-A34 : G-G Bs/O2' Ss/O2' pairing 
+A11-A35 : G-C O2'/Bh Bs/O2P upward pairing 
+A12-A16 : A-U Bs/Wh pairing parallel trans one_hbond 
+A12-A34 : A-G O2'/Bs Hh/O2' upward pairing 
+A17-A34 : G-G Ww/Hh pairing parallel cis VI 
+A18-A33 : U-A Ww/Ww pairing antiparallel cis XX 
+Residue conformations -------------------------------------------
+A6 : G O4p_endo anti
+A7 : G O4p_endo anti
+A8 : G C3p_endo anti
+A9 : A C3p_exo anti
+A10 : A C3p_endo anti
+A11 : G O4p_endo anti
+A12 : A O4p_endo anti
+A13 : A C3p_exo anti
+A14 : A O4p_endo anti
+A15 : C O4p_endo anti
+A16 : U C3p_endo anti
+A17 : G C3p_endo anti
+A18 : U C2p_exo anti
+A33 : A C1p_endo anti
+A34 : G C3p_exo syn
+A35 : C C2p_exo anti
+A41 : AMP
+Adjacent stackings ----------------------------------------------
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A33-A34 : adjacent_5p inward 
+Non-Adjacent stackings ------------------------------------------
+A11-A35 : upward pairing 
+A12-A34 : upward pairing 
+Number of stackings = 11
+Number of adjacent stackings = 9
+Number of non adjacent stackings = 2
+Base-pairs ------------------------------------------------------
+A6-A35 : G-C Ww/Ww pairing antiparallel cis XIX 
+A7-A11 : G-G Ww/Hh pairing antiparallel trans VII 
+A8-A9 : G-A Ww/O2' Ss/O2' adjacent_5p pairing 
+A8-A10 : G-A O2'/Hh pairing 
+A8-A11 : G-G Ww/O2P pairing 
+A9-A16 : A-U Bs/Ss pairing parallel trans one_hbond 
+A10-A15 : A-C O2'/Ww O2'/Bh pairing 
+A10-A16 : A-U O2'/Ww pairing 
+A10-A17 : A-G Bs/Ss Ww/O2' pairing parallel trans one_hbond 
+A11-A12 : G-A Ss/Hw adjacent_5p pairing antiparallel cis one_hbond 
+A11-A34 : G-G Bs/O2' Ss/O2' pairing 
+A11-A35 : G-C O2'/Bh upward pairing 
+A12-A16 : A-U Bs/Wh pairing parallel trans one_hbond 
+A12-A34 : A-G O2'/Bs upward pairing 
+A17-A34 : G-G Ww/Hw pairing parallel cis one_hbond 
+A18-A33 : U-A Ww/Ww pairing antiparallel cis XX 
+Residue conformations -------------------------------------------
+A6 : G O4p_endo anti
+A7 : G O4p_endo anti
+A8 : G C3p_endo anti
+A9 : A C2p_exo anti
+A10 : A C4p_exo anti
+A11 : G O4p_endo anti
+A12 : A O4p_endo anti
+A13 : A C4p_exo anti
+A14 : A O4p_endo anti
+A15 : C C2p_endo anti
+A16 : U C3p_endo anti
+A17 : G C2p_exo anti
+A18 : U C2p_exo anti
+A33 : A C2p_exo anti
+A34 : G C2p_endo syn
+A35 : C C2p_exo anti
+A41 : AMP
+Adjacent stackings ----------------------------------------------
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A33-A34 : adjacent_5p inward 
+Non-Adjacent stackings ------------------------------------------
+A11-A35 : upward pairing 
+A12-A34 : upward pairing 
+Number of stackings = 8
+Number of adjacent stackings = 6
+Number of non adjacent stackings = 2
+Base-pairs ------------------------------------------------------
+A6-A35 : G-C Ww/Ww pairing antiparallel cis XIX 
+A7-A11 : G-G Ww/Hh pairing antiparallel trans one_hbond 
+A8-A9 : G-A O2'/Bh O2'/Hh adjacent_5p pairing 
+A8-A10 : G-A O2'/Hh Hh/O2P pairing 
+A8-A11 : G-G Ww/O2P pairing 
+A10-A15 : A-C O2'/Bh pairing 
+A10-A17 : A-G Bs/Ss pairing parallel trans one_hbond 
+A11-A13 : G-A O2P/Bh O2P/Hh pairing 
+A11-A34 : G-G Bs/O2' Ss/O2' pairing 
+A11-A35 : G-C O2'/Bh upward pairing 
+A12-A34 : A-G O2'/Bs Hh/O2' upward pairing 
+A14-A34 : A-G O2P/Ww pairing 
+A17-A34 : G-G Ww/Hw pairing parallel cis one_hbond 
+A18-A33 : U-A Ww/Ww pairing antiparallel cis XX 
+Residue conformations -------------------------------------------
+A6 : G O4p_endo anti
+A7 : G O4p_endo anti
+A8 : G C2p_exo anti
+A9 : A C2p_exo anti
+A10 : A C2p_exo anti
+A11 : G O4p_endo anti
+A12 : A O4p_endo anti
+A13 : A O4p_endo anti
+A14 : A O4p_endo anti
+A15 : C C3p_endo anti
+A16 : U C3p_endo anti
+A17 : G C2p_exo anti
+A18 : U C3p_endo anti
+A33 : A C2p_exo anti
+A34 : G C2p_endo syn
+A35 : C C2p_exo anti
+A41 : AMP
+Adjacent stackings ----------------------------------------------
+A6-A7 : adjacent_5p inward pairing 
+A7-A8 : adjacent_5p outward pairing 
+A9-A10 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A33-A34 : adjacent_5p inward 
+Non-Adjacent stackings ------------------------------------------
+A11-A35 : upward pairing 
+A12-A34 : upward pairing 
+Number of stackings = 10
+Number of adjacent stackings = 8
+Number of non adjacent stackings = 2
+Base-pairs ------------------------------------------------------
+A6-A7 : G-G O2'/Hh adjacent_5p inward pairing 
+A6-A35 : G-C Ww/Ww pairing antiparallel cis XIX 
+A7-A8 : G-G O2'/Hh adjacent_5p outward pairing 
+A9-A14 : A-A O2'/Bh pairing 
+A11-A34 : G-G Bs/O2' pairing 
+A11-A35 : G-C O2'/Bh upward pairing 
+A12-A34 : A-G O2'/Bs Hh/O2' upward pairing 
+A17-A34 : G-G Ww/Hw pairing parallel cis one_hbond 
+A18-A33 : U-A Ww/Ww pairing antiparallel cis XX 
+Residue conformations -------------------------------------------
+A6 : G C4p_exo anti
+A7 : G O4p_endo anti
+A8 : G C2p_exo anti
+A9 : A C2p_endo anti
+A10 : A C4p_exo anti
+A11 : G O4p_endo anti
+A12 : A O4p_endo anti
+A13 : A O4p_endo anti
+A14 : A C4p_exo anti
+A15 : C C2p_endo anti
+A16 : U C3p_endo anti
+A17 : G C3p_endo anti
+A18 : U C3p_endo anti
+A33 : A C2p_exo anti
+A34 : G C1p_exo syn
+A35 : C C2p_exo anti
+A41 : AMP
+Adjacent stackings ----------------------------------------------
+A6-A7 : adjacent_5p inward 
+A7-A8 : adjacent_5p outward pairing 
+A9-A10 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A33-A34 : adjacent_5p inward 
+Non-Adjacent stackings ------------------------------------------
+A11-A35 : upward 
+A12-A34 : upward pairing 
+Number of stackings = 11
+Number of adjacent stackings = 9
+Number of non adjacent stackings = 2
+Base-pairs ------------------------------------------------------
+A6-A35 : G-C Ww/Ww pairing antiparallel cis XIX 
+A7-A8 : G-G O2'/Hh adjacent_5p outward pairing 
+A8-A9 : G-A Ww/O2' Ss/O2' adjacent_5p pairing 
+A8-A11 : G-G Ww/O2P pairing 
+A10-A14 : A-A O2P/Bh pairing 
+A10-A17 : A-G Bs/Ss pairing parallel trans one_hbond 
+A11-A13 : G-A O2P/Hh pairing 
+A11-A34 : G-G Bs/O2' Ss/O2' pairing 
+A12-A34 : A-G O2'/Bs Bh/O2' Hh/O2' upward pairing 
+A17-A34 : G-G Ww/Hh pairing parallel cis one_hbond 
+A18-A33 : U-A Ww/Ww pairing antiparallel cis XX 
+Residue conformations -------------------------------------------
+A6 : G C2p_endo anti
+A7 : G O4p_endo anti
+A8 : G O4p_endo anti
+A9 : A C2p_endo anti
+A10 : A O4p_endo anti
+A11 : G O4p_endo anti
+A12 : A O4p_endo anti
+A13 : A C2p_exo anti
+A14 : A C2p_exo anti
+A15 : C C4p_exo anti
+A16 : U O4p_endo anti
+A17 : G C3p_endo anti
+A18 : U C2p_exo anti
+A33 : A C2p_exo anti
+A34 : G C3p_exo syn
+A35 : C C2p_exo anti
+A41 : AMP
+Adjacent stackings ----------------------------------------------
+A6-A7 : adjacent_5p upward pairing 
+A7-A8 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A33-A34 : adjacent_5p inward 
+Non-Adjacent stackings ------------------------------------------
+A11-A35 : upward pairing 
+A12-A34 : upward pairing 
+Number of stackings = 7
+Number of adjacent stackings = 5
+Number of non adjacent stackings = 2
+Base-pairs ------------------------------------------------------
+A6-A7 : G-G O2'/C8 adjacent_5p upward pairing 
+A6-A35 : G-C Ww/Ww pairing antiparallel cis XIX 
+A7-A11 : G-G Ww/Hh pairing antiparallel trans VII 
+A8-A10 : G-A C8/O2P pairing 
+A8-A11 : G-G Ww/O2P pairing 
+A9-A10 : A-A O2'/Hh O2'/C8 C8/O2P adjacent_5p pairing 
+A9-A16 : A-U Ww/O2' pairing 
+A10-A17 : A-G Ww/O2' Bh/O2' pairing 
+A11-A12 : G-A Ss/Hw O2'/Hh adjacent_5p pairing antiparallel cis one_hbond 
+A11-A34 : G-G Bs/O2' Ss/O2' pairing 
+A11-A35 : G-C O2'/Bh upward pairing 
+A12-A34 : A-G O2'/Ww O2'/Bs upward pairing 
+A13-A14 : A-A O2P/Hh adjacent_5p pairing 
+A14-A17 : A-G Wh/Wh pairing parallel cis one_hbond 66 
+A14-A34 : A-G Wh/Wh pairing parallel cis one_hbond 66 
+A16-A17 : U-G O2P/Hh adjacent_5p pairing 
+A17-A34 : G-G Ww/Hh pairing parallel cis VI 
+A18-A33 : U-A Ww/Ww pairing antiparallel cis XX 
+Residue conformations -------------------------------------------
+A6 : G O4p_endo anti
+A7 : G O4p_endo anti
+A8 : G C3p_endo anti
+A9 : A C3p_exo anti
+A10 : A C4p_exo anti
+A11 : G O4p_endo anti
+A12 : A O4p_endo anti
+A13 : A C4p_endo anti
+A14 : A O4p_endo anti
+A15 : C C1p_exo anti
+A16 : U C3p_endo anti
+A17 : G C2p_exo anti
+A18 : U C2p_exo anti
+A33 : A C2p_exo anti
+A34 : G C3p_exo syn
+A35 : C C2p_exo anti
+A41 : AMP
+Adjacent stackings ----------------------------------------------
+A6-A7 : adjacent_5p upward pairing 
+A7-A8 : adjacent_5p upward 
+A9-A10 : adjacent_5p outward pairing 
+A13-A14 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A33-A34 : adjacent_5p inward 
+Non-Adjacent stackings ------------------------------------------
+A11-A35 : upward pairing 
+A12-A34 : upward pairing 
+Number of stackings = 9
+Number of adjacent stackings = 7
+Number of non adjacent stackings = 2
+Base-pairs ------------------------------------------------------
+A6-A7 : G-G O2'/C8 adjacent_5p upward pairing 
+A6-A35 : G-C Ww/Ww pairing antiparallel cis XIX 
+A7-A11 : G-G Ww/Hh pairing antiparallel trans 
+A8-A10 : G-A Hh/O2P pairing 
+A8-A11 : G-G Ww/O2P pairing 
+A9-A10 : A-A O2'/Hh adjacent_5p outward pairing 
+A9-A15 : A-C Hw/Ww pairing parallel trans one_hbond 
+A10-A17 : A-G Ww/O2' pairing 
+A11-A12 : G-A Ss/Hw O2'/Hh adjacent_5p pairing parallel cis one_hbond 
+A11-A34 : G-G Bs/O2' Ss/O2' pairing 
+A11-A35 : G-C O2'/Bh upward pairing 
+A12-A13 : A-A O2'/Hh adjacent_5p pairing 
+A12-A34 : A-G O2'/Bs upward pairing 
+A14-A15 : A-C O2'/Hh adjacent_5p pairing 
+A17-A34 : G-G Ww/Hh pairing parallel cis VI 
+A18-A33 : U-A Ww/Ww pairing antiparallel cis XX 
diff --git a/MCdata/1anr_MC b/MCdata/1anr_MC
new file mode 100644
index 0000000000000000000000000000000000000000..c2793fad630eade6c26a77d8e1bf6b492e555dea
--- /dev/null
+++ b/MCdata/1anr_MC
@@ -0,0 +1,1200 @@
+Residue conformations -------------------------------------------
+A17 : G C2p_exo anti
+A18 : G C3p_endo anti
+A19 : C C3p_endo anti
+A20 : A C3p_endo anti
+A21 : G C3p_endo anti
+A22 : A C3p_endo anti
+A23 : U C3p_endo anti
+A24 : C C2p_endo anti
+A25 : U C3p_endo anti
+A26 : G C3p_endo anti
+A27 : A O4p_endo anti
+A28 : G O4p_endo anti
+A29 : C C2p_exo anti
+A30 : C C4p_endo syn
+A31 : U C3p_endo anti
+A32 : G C3p_endo anti
+A33 : G C3p_exo anti
+A34 : G C2p_exo anti
+A35 : A C3p_exo anti
+A36 : G C3p_endo anti
+A37 : C C2p_exo anti
+A38 : U C2p_exo anti
+A39 : C C3p_endo anti
+A40 : U C2p_exo anti
+A41 : C C3p_endo anti
+A42 : U C3p_endo anti
+A43 : G C3p_endo anti
+A44 : C C2p_exo anti
+A45 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+A21-A22 : adjacent_5p upward 
+A22-A23 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+A27-A28 : adjacent_5p upward 
+A28-A29 : adjacent_5p upward 
+A36-A37 : adjacent_5p upward 
+A38-A39 : adjacent_5p upward 
+A41-A42 : adjacent_5p upward 
+A43-A44 : adjacent_5p upward 
+A44-A45 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A20-A43 : outward 
+A28-A38 : outward 
+Number of stackings = 16
+Number of adjacent stackings = 14
+Number of non adjacent stackings = 2
+Base-pairs ------------------------------------------------------
+A17-A44 : G-C Wh/Wh pairing antiparallel cis one_hbond 
+A19-A43 : C-G Ww/Ww pairing antiparallel cis XIX 
+A20-A42 : A-U Ww/Ww pairing antiparallel cis XX 
+A21-A41 : G-C Ww/Ww pairing antiparallel cis XIX 
+A22-A40 : A-U Bs/Ws pairing antiparallel cis one_hbond 
+A26-A39 : G-C Ww/Ww pairing antiparallel cis XIX 
+A27-A38 : A-U Ww/Ww pairing antiparallel cis XX 
+A28-A37 : G-C Ww/Ww pairing antiparallel cis 
+A29-A36 : C-G Ww/Wh pairing antiparallel cis one_hbond 
+A31-A33 : U-G O2P/Hh pairing 
+A32-A34 : G-G O2'/Bs pairing 
+Residue conformations -------------------------------------------
+A17 : G C2p_exo anti
+A18 : G C4p_exo anti
+A19 : C C2p_exo anti
+A20 : A C3p_endo anti
+A21 : G C2p_exo anti
+A22 : A C3p_endo anti
+A23 : U C2p_exo anti
+A24 : C C3p_endo anti
+A25 : U C2p_exo anti
+A26 : G C3p_endo anti
+A27 : A C3p_endo anti
+A28 : G C3p_endo anti
+A29 : C C3p_endo anti
+A30 : C C2p_exo anti
+A31 : U C3p_endo anti
+A32 : G C3p_endo anti
+A33 : G C2p_exo anti
+A34 : G C3p_endo syn
+A35 : A C3p_exo anti
+A36 : G C3p_endo anti
+A37 : C C2p_exo anti
+A38 : U C2p_exo anti
+A39 : C C3p_endo anti
+A40 : U C3p_endo anti
+A41 : C C3p_endo anti
+A42 : U C3p_endo anti
+A43 : G C3p_endo anti
+A44 : C C3p_endo anti
+A45 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+A21-A22 : adjacent_5p upward 
+A22-A23 : adjacent_5p upward 
+A23-A24 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+A27-A28 : adjacent_5p upward 
+A28-A29 : adjacent_5p upward 
+A36-A37 : adjacent_5p upward 
+A43-A44 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A18-A45 : outward 
+A20-A43 : outward 
+A22-A41 : outward 
+A27-A39 : outward 
+Number of stackings = 16
+Number of adjacent stackings = 12
+Number of non adjacent stackings = 4
+Base-pairs ------------------------------------------------------
+A17-A45 : G-C Ww/Ww pairing antiparallel cis XIX 
+A18-A44 : G-C Ww/Ww pairing antiparallel cis XIX 
+A19-A43 : C-G Ww/Ww pairing antiparallel cis XIX 
+A20-A42 : A-U Ww/Ww pairing antiparallel cis XX 
+A21-A41 : G-C Ww/Ww pairing antiparallel cis XIX 
+A22-A24 : A-C O2P/Bh pairing 
+A22-A40 : A-U Ww/Ws pairing antiparallel cis 
+A26-A39 : G-C Ww/Ww pairing antiparallel cis XIX 
+A27-A38 : A-U Ww/Ww pairing antiparallel cis XX 
+A28-A37 : G-C Ww/Ws pairing antiparallel cis one_hbond 130 
+A29-A36 : C-G Ww/Ww pairing antiparallel cis XIX 
+A30-A34 : C-G Ws/Sw pairing antiparallel cis one_hbond 128 
+A33-A34 : G-G O2'/Ss O2'/C8 adjacent_5p pairing 
+A34-A35 : G-A O2'/Hh adjacent_5p pairing 
+Residue conformations -------------------------------------------
+A17 : G C3p_endo anti
+A18 : G C3p_endo anti
+A19 : C C2p_exo anti
+A20 : A C2p_exo anti
+A21 : G C3p_endo anti
+A22 : A C2p_exo anti
+A23 : U C2p_exo anti
+A24 : C C3p_exo anti
+A25 : U O4p_endo syn
+A26 : G C3p_endo anti
+A27 : A C3p_endo anti
+A28 : G C3p_endo anti
+A29 : C C3p_endo anti
+A30 : C C2p_exo anti
+A31 : U C3p_endo anti
+A32 : G O4p_endo anti
+A33 : G C3p_exo anti
+A34 : G C3p_endo syn
+A35 : A O4p_endo anti
+A36 : G C3p_endo anti
+A37 : C C3p_endo anti
+A38 : U C3p_endo anti
+A39 : C C3p_endo anti
+A40 : U C2p_exo anti
+A41 : C C3p_endo anti
+A42 : U C3p_endo anti
+A43 : G C3p_endo anti
+A44 : C C3p_endo anti
+A45 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A18-A19 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+A21-A22 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+A27-A28 : adjacent_5p upward 
+A28-A29 : adjacent_5p upward 
+A36-A37 : adjacent_5p upward 
+A43-A44 : adjacent_5p upward 
+A44-A45 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A20-A43 : outward 
+A27-A39 : outward 
+Number of stackings = 11
+Number of adjacent stackings = 9
+Number of non adjacent stackings = 2
+Base-pairs ------------------------------------------------------
+A17-A45 : G-C Ww/Ww pairing antiparallel cis one_hbond 
+A18-A44 : G-C Ww/Ww pairing antiparallel cis XIX 
+A19-A43 : C-G Ww/Ww pairing antiparallel cis XIX 
+A20-A42 : A-U Ww/Ww pairing antiparallel cis XX 
+A21-A41 : G-C Ww/Ww pairing antiparallel cis XIX 
+A26-A39 : G-C Ww/Ww pairing antiparallel cis XIX 
+A27-A38 : A-U Ww/Ww pairing antiparallel cis XX 
+A28-A37 : G-C Ww/Ww pairing antiparallel cis XIX 
+A29-A36 : C-G Ww/Ww pairing antiparallel cis XIX 
+A32-A33 : G-G Sw/Hw adjacent_5p pairing parallel cis one_hbond 
+A33-A34 : G-G O2P/Bs adjacent_5p pairing 
+A34-A35 : G-A O2'/C8 adjacent_5p pairing 
+Residue conformations -------------------------------------------
+A17 : G C4p_exo anti
+A18 : G C3p_endo anti
+A19 : C C2p_exo anti
+A20 : A C2p_exo anti
+A21 : G C3p_endo anti
+A22 : A C2p_exo anti
+A23 : U C3p_endo anti
+A24 : C C2p_endo anti
+A25 : U C2p_exo anti
+A26 : G C3p_endo anti
+A27 : A C3p_endo anti
+A28 : G C3p_endo anti
+A29 : C C3p_endo anti
+A30 : C C2p_exo anti
+A31 : U C4p_exo anti
+A32 : G C1p_endo anti
+A33 : G C2p_endo anti
+A34 : G C3p_endo anti
+A35 : A O4p_endo anti
+A36 : G C2p_exo anti
+A37 : C C2p_exo anti
+A38 : U O4p_endo anti
+A39 : C C4p_exo anti
+A40 : U C2p_exo anti
+A41 : C C3p_endo anti
+A42 : U C2p_exo anti
+A43 : G C3p_endo anti
+A44 : C C2p_exo anti
+A45 : C C2p_exo anti
+Adjacent stackings ----------------------------------------------
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+A21-A22 : adjacent_5p upward 
+A22-A23 : adjacent_5p upward 
+A23-A24 : adjacent_5p upward 
+A27-A28 : adjacent_5p upward 
+A29-A30 : adjacent_5p upward 
+A34-A35 : adjacent_5p upward 
+A36-A37 : adjacent_5p upward 
+A40-A41 : adjacent_5p upward 
+A41-A42 : adjacent_5p upward 
+A42-A43 : adjacent_5p upward 
+A43-A44 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A18-A45 : outward 
+A20-A43 : outward 
+A34-A36 : upward 
+Number of stackings = 18
+Number of adjacent stackings = 15
+Number of non adjacent stackings = 3
+Base-pairs ------------------------------------------------------
+A17-A45 : G-C Ww/Ww pairing antiparallel cis XIX 
+A18-A44 : G-C Ww/Ww pairing antiparallel cis XIX 
+A19-A43 : C-G Ww/Ww pairing antiparallel cis XIX 
+A20-A42 : A-U Ww/Ww pairing antiparallel cis XX 
+A21-A41 : G-C Ww/Ww pairing antiparallel cis XIX 
+A22-A24 : A-C O2P/Bh pairing 
+A22-A40 : A-U Ww/Ww pairing antiparallel cis XX 
+A26-A39 : G-C Ww/Ww pairing antiparallel cis 
+A29-A36 : C-G Ww/Ww pairing antiparallel cis XIX 
+Residue conformations -------------------------------------------
+A17 : G C3p_endo anti
+A18 : G C3p_endo anti
+A19 : C C2p_exo anti
+A20 : A C2p_exo anti
+A21 : G C2p_exo anti
+A22 : A C1p_exo anti
+A23 : U C3p_exo syn
+A24 : C C3p_exo anti
+A25 : U C2p_endo anti
+A26 : G C2p_exo anti
+A27 : A C2p_exo anti
+A28 : G C3p_endo anti
+A29 : C C2p_exo anti
+A30 : C C2p_exo anti
+A31 : U C3p_endo anti
+A32 : G C3p_endo anti
+A33 : G C3p_endo anti
+A34 : G C3p_endo syn
+A35 : A C3p_exo anti
+A36 : G C2p_exo anti
+A37 : C C2p_exo anti
+A38 : U C3p_endo anti
+A39 : C C3p_endo anti
+A40 : U C2p_exo anti
+A41 : C C2p_exo anti
+A42 : U C3p_endo anti
+A43 : G C3p_endo anti
+A44 : C C3p_endo anti
+A45 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A18-A19 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+A21-A22 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+A27-A28 : adjacent_5p upward 
+A28-A29 : adjacent_5p upward 
+A36-A37 : adjacent_5p upward 
+A39-A40 : adjacent_5p upward 
+A43-A44 : adjacent_5p upward 
+A44-A45 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A18-A45 : outward 
+A20-A43 : outward 
+A21-A42 : outward 
+A22-A24 : upward 
+A22-A41 : outward 
+Number of stackings = 15
+Number of adjacent stackings = 10
+Number of non adjacent stackings = 5
+Base-pairs ------------------------------------------------------
+A17-A45 : G-C Ww/Ww pairing antiparallel cis XIX 
+A18-A44 : G-C Ww/Ww pairing antiparallel cis XIX 
+A19-A43 : C-G Ww/Ww pairing antiparallel cis XIX 
+A20-A42 : A-U Ww/Ww pairing antiparallel cis XX 
+A21-A41 : G-C Ww/Ww pairing antiparallel cis XIX 
+A23-A24 : U-C O2'/Hh adjacent_5p pairing 
+A23-A41 : U-C Ww/O2' pairing 
+A24-A40 : C-U Ws/Ww pairing antiparallel cis one_hbond 106 
+A26-A39 : G-C Ww/Ww pairing antiparallel cis XIX 
+A27-A38 : A-U Ww/Ww pairing antiparallel cis XX 
+A28-A37 : G-C Ww/Ww pairing antiparallel cis one_hbond 130 
+A29-A36 : C-G Ww/Ww pairing antiparallel cis XIX 
+A30-A34 : C-G Ws/Ww pairing antiparallel cis one_hbond 130 
+A33-A34 : G-G O2'/Ss adjacent_5p pairing 
+A34-A35 : G-A O2'/Hh O2'/C8 adjacent_5p pairing 
+Residue conformations -------------------------------------------
+A17 : G C4p_exo anti
+A18 : G C3p_endo anti
+A19 : C C2p_exo anti
+A20 : A C3p_endo anti
+A21 : G C3p_endo anti
+A22 : A C2p_exo anti
+A23 : U C3p_exo anti
+A24 : C C3p_endo anti
+A25 : U C2p_endo anti
+A26 : G C3p_endo anti
+A27 : A C3p_endo anti
+A28 : G C3p_endo anti
+A29 : C O4p_endo anti
+A30 : C O4p_endo anti
+A31 : U O4p_endo anti
+A32 : G C3p_endo anti
+A33 : G C3p_exo anti
+A34 : G C1p_endo syn
+A35 : A C2p_exo anti
+A36 : G C2p_exo anti
+A37 : C C2p_exo anti
+A38 : U C2p_exo anti
+A39 : C C2p_exo anti
+A40 : U C3p_endo anti
+A41 : C C4p_exo anti
+A42 : U C3p_endo anti
+A43 : G C3p_endo anti
+A44 : C C2p_exo anti
+A45 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+A21-A22 : adjacent_5p upward 
+A22-A23 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+A27-A28 : adjacent_5p upward 
+A28-A29 : adjacent_5p upward 
+A29-A30 : adjacent_5p upward 
+A32-A33 : adjacent_5p upward 
+A41-A42 : adjacent_5p upward 
+A43-A44 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A20-A43 : outward 
+Number of stackings = 13
+Number of adjacent stackings = 12
+Number of non adjacent stackings = 1
+Base-pairs ------------------------------------------------------
+A17-A45 : G-C Ww/Ww pairing antiparallel cis XIX 
+A18-A44 : G-C Ww/Ww pairing antiparallel cis XIX 
+A19-A43 : C-G Ww/Ww pairing antiparallel cis XIX 
+A20-A42 : A-U Ww/Ww pairing antiparallel cis XX 
+A26-A39 : G-C Ww/Ww pairing antiparallel cis 
+A26-A41 : G-C Ww/O2P pairing 
+A27-A38 : A-U Ww/Ww pairing antiparallel cis XX 
+A28-A37 : G-C Ww/Ww pairing antiparallel cis XIX 
+A29-A36 : C-G Ww/Ww pairing antiparallel cis XIX 
+A31-A32 : U-G O2'/C8 adjacent_5p pairing 
+A32-A34 : G-G O2'/Bs O2'/Ss pairing 
+A34-A35 : G-A O2'/Hh adjacent_5p pairing 
+Residue conformations -------------------------------------------
+A17 : G C2p_exo anti
+A18 : G C2p_exo anti
+A19 : C C3p_endo anti
+A20 : A C3p_endo anti
+A21 : G C2p_exo anti
+A22 : A C2p_exo anti
+A23 : U C2p_exo anti
+A24 : C C2p_endo anti
+A25 : U C3p_endo anti
+A26 : G C4p_exo anti
+A27 : A C4p_exo anti
+A28 : G C4p_exo anti
+A29 : C C4p_exo anti
+A30 : C C3p_endo anti
+A31 : U C3p_endo anti
+A32 : G C2p_exo anti
+A33 : G C3p_endo anti
+A34 : G C3p_endo anti
+A35 : A C3p_exo anti
+A36 : G C2p_exo anti
+A37 : C C3p_endo anti
+A38 : U C3p_endo anti
+A39 : C C3p_endo anti
+A40 : U C3p_endo anti
+A41 : C C3p_endo anti
+A42 : U C2p_exo anti
+A43 : G C3p_endo anti
+A44 : C C3p_endo anti
+A45 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A18-A19 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+A22-A23 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+A27-A28 : adjacent_5p upward 
+A28-A29 : adjacent_5p upward 
+A36-A37 : adjacent_5p upward 
+A38-A39 : adjacent_5p upward 
+A43-A44 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A20-A43 : outward 
+A21-A42 : outward 
+A34-A36 : upward 
+Number of stackings = 13
+Number of adjacent stackings = 10
+Number of non adjacent stackings = 3
+Base-pairs ------------------------------------------------------
+A18-A44 : G-C Ww/Ww pairing antiparallel cis XIX 
+A19-A43 : C-G Ww/Ww pairing antiparallel cis XIX 
+A20-A42 : A-U Ww/Ww pairing antiparallel cis XX 
+A25-A27 : U-A Ws/Hw pairing parallel cis one_hbond 47 
+A26-A39 : G-C Ww/Ww pairing antiparallel cis one_hbond 130 
+A27-A38 : A-U Ww/Ww pairing antiparallel cis XX 
+A30-A33 : C-G Ww/Sw pairing antiparallel cis one_hbond 125 
+A32-A33 : G-G O2'/C8 adjacent_5p pairing 
+A34-A35 : G-A O2'/Hh O2'/C8 adjacent_5p pairing 
+Residue conformations -------------------------------------------
+A17 : G C3p_endo anti
+A18 : G C3p_endo anti
+A19 : C C2p_exo anti
+A20 : A C3p_endo anti
+A21 : G C2p_exo anti
+A22 : A C2p_exo anti
+A23 : U C3p_endo anti
+A24 : C C3p_endo anti
+A25 : U C4p_exo syn
+A26 : G C3p_endo anti
+A27 : A C3p_endo anti
+A28 : G C4p_exo anti
+A29 : C O4p_endo anti
+A30 : C O4p_endo anti
+A31 : U C3p_endo anti
+A32 : G C3p_exo anti
+A33 : G C3p_endo anti
+A34 : G C2p_exo syn
+A35 : A C3p_exo anti
+A36 : G C2p_exo anti
+A37 : C C3p_endo anti
+A38 : U C3p_endo anti
+A39 : C O4p_endo anti
+A40 : U C2p_exo anti
+A41 : C C3p_endo anti
+A42 : U C4p_exo anti
+A43 : G C3p_endo anti
+A44 : C C3p_endo anti
+A45 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A18-A19 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+A21-A22 : adjacent_5p upward 
+A22-A23 : adjacent_5p upward 
+A23-A24 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+A27-A28 : adjacent_5p upward 
+A28-A29 : adjacent_5p upward 
+A36-A37 : adjacent_5p upward 
+A41-A42 : adjacent_5p upward 
+A43-A44 : adjacent_5p upward 
+A44-A45 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A20-A43 : outward 
+A22-A41 : outward 
+A28-A38 : outward 
+Number of stackings = 16
+Number of adjacent stackings = 13
+Number of non adjacent stackings = 3
+Base-pairs ------------------------------------------------------
+A18-A44 : G-C Wh/Wh pairing antiparallel cis one_hbond 
+A19-A43 : C-G Ww/Ww pairing antiparallel cis XIX 
+A20-A42 : A-U Ww/Ww pairing antiparallel cis XX 
+A21-A41 : G-C Ww/Ww pairing antiparallel cis XIX 
+A22-A40 : A-U Ww/Ww pairing antiparallel cis one_hbond 
+A27-A38 : A-U Ww/Ww pairing antiparallel cis XX 
+A31-A32 : U-G O2'/Ss adjacent_5p pairing 
+A32-A33 : G-G Sw/Hh adjacent_5p pairing parallel cis one_hbond 109 
+A33-A34 : G-G O2'/Ss O2'/C8 adjacent_5p pairing 
+Residue conformations -------------------------------------------
+A17 : G C3p_endo anti
+A18 : G C2p_exo anti
+A19 : C C2p_exo anti
+A20 : A C2p_exo anti
+A21 : G C3p_endo anti
+A22 : A C3p_endo anti
+A23 : U C2p_exo anti
+A24 : C C2p_endo anti
+A25 : U C2p_endo syn
+A26 : G C2p_exo anti
+A27 : A C4p_exo anti
+A28 : G C4p_exo anti
+A29 : C C2p_exo anti
+A30 : C C3p_endo anti
+A31 : U C3p_endo anti
+A32 : G C2p_exo anti
+A33 : G C2p_exo anti
+A34 : G C2p_exo syn
+A35 : A C3p_exo anti
+A36 : G C3p_endo anti
+A37 : C C3p_endo anti
+A38 : U C3p_endo anti
+A39 : C C3p_endo anti
+A40 : U C3p_endo anti
+A41 : C C3p_endo anti
+A42 : U C2p_exo anti
+A43 : G C2p_exo anti
+A44 : C C2p_exo anti
+A45 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+A21-A22 : adjacent_5p upward 
+A22-A23 : adjacent_5p upward 
+A23-A24 : adjacent_5p upward 
+A27-A28 : adjacent_5p upward 
+A28-A29 : adjacent_5p upward 
+A29-A30 : adjacent_5p upward 
+A40-A41 : adjacent_5p upward 
+A43-A44 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A20-A43 : outward 
+A21-A42 : outward 
+Number of stackings = 13
+Number of adjacent stackings = 11
+Number of non adjacent stackings = 2
+Base-pairs ------------------------------------------------------
+A17-A45 : G-C Ww/Ww pairing antiparallel cis XIX 
+A18-A44 : G-C Ww/Ww pairing antiparallel cis 
+A19-A43 : C-G Ww/Ww pairing antiparallel cis XIX 
+A20-A42 : A-U Ww/Ww pairing antiparallel cis XX 
+A21-A41 : G-C Ww/Ww pairing antiparallel cis 
+A22-A40 : A-U Bs/Ws pairing antiparallel cis one_hbond 
+A27-A38 : A-U Ww/Ww pairing antiparallel cis XX 
+A28-A37 : G-C Ww/Ww pairing antiparallel cis XIX 
+A29-A36 : C-G Ww/Ww pairing antiparallel cis XIX 
+A33-A34 : G-G O2P/Bs adjacent_5p pairing 
+Residue conformations -------------------------------------------
+A17 : G C2p_exo anti
+A18 : G C3p_endo anti
+A19 : C C2p_exo anti
+A20 : A C3p_endo anti
+A21 : G C2p_exo anti
+A22 : A C2p_exo anti
+A23 : U C3p_exo anti
+A24 : C C3p_endo anti
+A25 : U C2p_endo anti
+A26 : G C3p_endo anti
+A27 : A O4p_endo anti
+A28 : G O4p_endo anti
+A29 : C C2p_exo anti
+A30 : C C3p_endo anti
+A31 : U C3p_endo anti
+A32 : G C3p_exo anti
+A33 : G C2p_endo anti
+A34 : G C2p_exo syn
+A35 : A C3p_exo anti
+A36 : G C2p_exo anti
+A37 : C C3p_endo anti
+A38 : U C2p_exo anti
+A39 : C O4p_endo anti
+A40 : U C3p_endo anti
+A41 : C C3p_endo anti
+A42 : U C2p_exo anti
+A43 : G C3p_endo anti
+A44 : C C3p_endo anti
+A45 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+A22-A23 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+A27-A28 : adjacent_5p upward 
+A28-A29 : adjacent_5p upward 
+A29-A30 : adjacent_5p upward 
+A30-A31 : adjacent_5p upward 
+A36-A37 : adjacent_5p upward 
+A38-A39 : adjacent_5p upward 
+A40-A41 : adjacent_5p upward 
+A43-A44 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A20-A43 : outward 
+A21-A42 : outward 
+A28-A38 : outward 
+Number of stackings = 17
+Number of adjacent stackings = 14
+Number of non adjacent stackings = 3
+Base-pairs ------------------------------------------------------
+A18-A44 : G-C Ww/Ww pairing antiparallel cis XIX 
+A19-A43 : C-G Ww/Ww pairing antiparallel cis XIX 
+A20-A42 : A-U Ww/Ww pairing antiparallel cis XX 
+A21-A41 : G-C Ww/Ww pairing antiparallel cis XIX 
+A26-A39 : G-C Ww/Ww pairing antiparallel cis 130 
+A27-A38 : A-U Ww/Ww pairing antiparallel cis XX 
+A29-A36 : C-G Ww/Ww pairing antiparallel cis 
+A34-A35 : G-A O2'/Hh O2'/C8 adjacent_5p pairing 
+Residue conformations -------------------------------------------
+A17 : G C3p_endo anti
+A18 : G C2p_exo anti
+A19 : C C2p_exo anti
+A20 : A C3p_endo anti
+A21 : G C2p_exo anti
+A22 : A C1p_endo syn
+A23 : U C2p_exo anti
+A24 : C C2p_exo anti
+A25 : U C2p_endo anti
+A26 : G C3p_endo anti
+A27 : A C4p_exo anti
+A28 : G C3p_endo anti
+A29 : C C4p_exo anti
+A30 : C C3p_endo anti
+A31 : U C3p_endo anti
+A32 : G C3p_exo anti
+A33 : G C2p_exo anti
+A34 : G C2p_exo anti
+A35 : A C2p_endo anti
+A36 : G C3p_endo anti
+A37 : C C3p_endo anti
+A38 : U C2p_exo anti
+A39 : C O4p_endo anti
+A40 : U C2p_exo anti
+A41 : C C3p_endo anti
+A42 : U C3p_endo anti
+A43 : G C3p_endo anti
+A44 : C C4p_exo anti
+A45 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A18-A19 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+A23-A24 : adjacent_5p upward 
+A27-A28 : adjacent_5p upward 
+A28-A29 : adjacent_5p upward 
+A29-A30 : adjacent_5p upward 
+A36-A37 : adjacent_5p upward 
+A43-A44 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A18-A45 : outward 
+A20-A43 : outward 
+A21-A42 : outward 
+Number of stackings = 12
+Number of adjacent stackings = 9
+Number of non adjacent stackings = 3
+Base-pairs ------------------------------------------------------
+A18-A44 : G-C Ww/Ww pairing antiparallel cis 
+A19-A43 : C-G Ww/Ww pairing antiparallel cis XIX 
+A20-A42 : A-U Ww/Ww pairing antiparallel cis XX 
+A21-A41 : G-C Ww/Ww pairing antiparallel cis 
+A26-A39 : G-C Ww/Ww pairing antiparallel cis 
+A27-A38 : A-U Ww/Ww pairing antiparallel cis XX 
+A30-A34 : C-G O2'/Bs pairing 
+A33-A34 : G-G O2'/Hh O2'/C8 adjacent_5p pairing 
+Residue conformations -------------------------------------------
+A17 : G C2p_exo anti
+A18 : G C2p_exo anti
+A19 : C C3p_endo anti
+A20 : A C2p_exo anti
+A21 : G C3p_endo anti
+A22 : A C3p_endo anti
+A23 : U C3p_endo anti
+A24 : C C2p_endo anti
+A25 : U C3p_endo anti
+A26 : G C2p_exo anti
+A27 : A C4p_exo anti
+A28 : G C3p_endo anti
+A29 : C C3p_endo anti
+A30 : C C2p_exo anti
+A31 : U C3p_endo anti
+A32 : G C3p_endo anti
+A33 : G C3p_endo anti
+A34 : G C1p_endo anti
+A35 : A C3p_exo anti
+A36 : G C2p_exo anti
+A37 : C C3p_endo anti
+A38 : U C2p_exo anti
+A39 : C O4p_endo anti
+A40 : U C2p_exo anti
+A41 : C C3p_endo anti
+A42 : U C3p_endo anti
+A43 : G C3p_endo anti
+A44 : C C3p_endo anti
+A45 : C C2p_exo anti
+Adjacent stackings ----------------------------------------------
+A18-A19 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+A21-A22 : adjacent_5p upward 
+A22-A23 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+A27-A28 : adjacent_5p upward 
+A28-A29 : adjacent_5p upward 
+A29-A30 : adjacent_5p upward 
+A36-A37 : adjacent_5p upward 
+A37-A38 : adjacent_5p upward 
+A41-A42 : adjacent_5p upward 
+A43-A44 : adjacent_5p upward 
+A44-A45 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A20-A43 : outward 
+A34-A36 : upward 
+Number of stackings = 15
+Number of adjacent stackings = 13
+Number of non adjacent stackings = 2
+Base-pairs ------------------------------------------------------
+A18-A44 : G-C Ww/Ww pairing antiparallel cis 
+A19-A43 : C-G Ww/Ww pairing antiparallel cis XIX 
+A20-A42 : A-U Ww/Ww pairing antiparallel cis one_hbond 
+A21-A41 : G-C Ww/Ww pairing antiparallel cis XIX 
+A27-A38 : A-U Ww/Ww pairing antiparallel cis XX 
+A30-A34 : C-G O2'/Ww pairing 
+A33-A34 : G-G O2'/Ss O2'/C8 adjacent_5p pairing 
+A34-A35 : G-A O2'/Hh O2'/C8 adjacent_5p pairing 
+Residue conformations -------------------------------------------
+A17 : G C2p_exo anti
+A18 : G C3p_endo anti
+A19 : C C3p_endo anti
+A20 : A C2p_exo anti
+A21 : G C2p_exo anti
+A22 : A O4p_endo syn
+A23 : U C4p_endo anti
+A24 : C C3p_endo anti
+A25 : U C3p_endo syn
+A26 : G C3p_endo anti
+A27 : A C2p_exo anti
+A28 : G C4p_exo anti
+A29 : C C2p_exo anti
+A30 : C C3p_endo syn
+A31 : U C3p_endo anti
+A32 : G C3p_endo anti
+A33 : G C3p_exo anti
+A34 : G C3p_endo anti
+A35 : A C2p_endo anti
+A36 : G C2p_exo anti
+A37 : C C3p_endo anti
+A38 : U C4p_exo anti
+A39 : C O4p_endo anti
+A40 : U C2p_exo anti
+A41 : C C4p_exo anti
+A42 : U C4p_exo anti
+A43 : G C3p_endo anti
+A44 : C C2p_exo anti
+A45 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+A27-A28 : adjacent_5p upward 
+A28-A29 : adjacent_5p upward 
+A37-A38 : adjacent_5p upward 
+A43-A44 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A20-A43 : outward 
+A21-A42 : outward 
+A27-A39 : outward 
+Number of stackings = 12
+Number of adjacent stackings = 9
+Number of non adjacent stackings = 3
+Base-pairs ------------------------------------------------------
+A18-A44 : G-C Ww/Ww pairing antiparallel cis XIX 
+A19-A43 : C-G Ww/Ww pairing antiparallel cis XIX 
+A20-A42 : A-U Ww/Ww pairing antiparallel cis XX 
+A22-A41 : A-C Bh/O2' pairing 
+A23-A40 : U-U Ww/Wh pairing antiparallel cis one_hbond 
+A23-A41 : U-C Hw/Wh pairing antiparallel cis one_hbond 102 
+A25-A26 : U-G O2'/Hh adjacent_5p pairing 
+A26-A39 : G-C Ww/Ww pairing antiparallel cis 130 
+A27-A38 : A-U Ww/Ww pairing antiparallel cis XX 
+A28-A37 : G-C Ww/Ww pairing antiparallel cis one_hbond 
+A29-A30 : C-C Ss/Hh adjacent_5p pairing antiparallel trans one_hbond 
+A29-A36 : C-G Ww/Ww pairing antiparallel cis 
+Residue conformations -------------------------------------------
+A17 : G C3p_endo anti
+A18 : G C2p_exo anti
+A19 : C C3p_endo anti
+A20 : A C3p_endo anti
+A21 : G C3p_endo anti
+A22 : A C2p_exo anti
+A23 : U C2p_exo anti
+A24 : C C3p_endo anti
+A25 : U C3p_endo anti
+A26 : G C3p_endo anti
+A27 : A C4p_exo anti
+A28 : G C3p_endo anti
+A29 : C C4p_exo anti
+A30 : C C1p_exo anti
+A31 : U O4p_endo anti
+A32 : G C2p_exo anti
+A33 : G C2p_endo anti
+A34 : G C2p_exo syn
+A35 : A C3p_exo anti
+A36 : G C2p_exo anti
+A37 : C C3p_endo anti
+A38 : U O4p_endo anti
+A39 : C C4p_exo anti
+A40 : U C3p_endo anti
+A41 : C C3p_endo anti
+A42 : U C3p_endo anti
+A43 : G C3p_endo anti
+A44 : C C2p_exo anti
+A45 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A18-A19 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+A21-A22 : adjacent_5p upward 
+A22-A23 : adjacent_5p upward 
+A23-A24 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+A27-A28 : adjacent_5p upward 
+A28-A29 : adjacent_5p upward 
+A29-A30 : adjacent_5p upward pairing 
+A32-A33 : adjacent_5p upward 
+A36-A37 : adjacent_5p upward 
+A43-A44 : adjacent_5p upward 
+A44-A45 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A20-A43 : outward 
+A21-A42 : outward 
+Number of stackings = 16
+Number of adjacent stackings = 14
+Number of non adjacent stackings = 2
+Base-pairs ------------------------------------------------------
+A19-A43 : C-G Ww/Ww pairing antiparallel cis 
+A20-A42 : A-U Ww/Ww pairing antiparallel cis XX 
+A21-A41 : G-C Ww/Ww pairing antiparallel cis 
+A22-A24 : A-C O2P/Bh pairing 
+A27-A38 : A-U Ww/Ww pairing antiparallel cis XX 
+A29-A30 : C-C O2P/Bh adjacent_5p upward pairing 
+A29-A36 : C-G Wh/Wh pairing antiparallel cis one_hbond 
+A34-A35 : G-A O2'/Hh adjacent_5p pairing 
+Residue conformations -------------------------------------------
+A17 : G O4p_endo anti
+A18 : G C2p_exo anti
+A19 : C C4p_exo anti
+A20 : A C4p_exo anti
+A21 : G C3p_endo anti
+A22 : A C2p_exo anti
+A23 : U C3p_endo anti
+A24 : C C3p_endo anti
+A25 : U C3p_endo syn
+A26 : G C2p_exo anti
+A27 : A C4p_exo anti
+A28 : G C4p_exo anti
+A29 : C O4p_endo anti
+A30 : C C3p_endo anti
+A31 : U O4p_endo anti
+A32 : G C3p_endo anti
+A33 : G C2p_endo anti
+A34 : G C1p_endo anti
+A35 : A C3p_exo anti
+A36 : G C2p_exo anti
+A37 : C C3p_endo anti
+A38 : U C2p_exo anti
+A39 : C O4p_endo anti
+A40 : U C3p_endo anti
+A41 : C C3p_endo anti
+A42 : U C2p_exo anti
+A43 : G C2p_exo anti
+A44 : C C2p_exo anti
+A45 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+A21-A22 : adjacent_5p upward 
+A22-A23 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+A27-A28 : adjacent_5p upward 
+A28-A29 : adjacent_5p upward 
+A36-A37 : adjacent_5p upward 
+A43-A44 : adjacent_5p upward 
+A44-A45 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A20-A43 : outward 
+A21-A42 : outward 
+Number of stackings = 14
+Number of adjacent stackings = 12
+Number of non adjacent stackings = 2
+Base-pairs ------------------------------------------------------
+A19-A43 : C-G Ww/Ww pairing antiparallel cis XIX 
+A20-A42 : A-U Ww/Ww pairing antiparallel cis XX 
+A21-A41 : G-C Ww/Ww pairing antiparallel cis XIX 
+A26-A39 : G-C Ww/Ww pairing antiparallel cis XIX 
+A27-A38 : A-U Ww/Ww pairing antiparallel cis XX 
+A30-A34 : C-G O2'/Bs pairing 
+A33-A34 : G-G O2P/Bs adjacent_5p pairing 
+Residue conformations -------------------------------------------
+A17 : G C2p_exo anti
+A18 : G C2p_exo anti
+A19 : C C3p_endo anti
+A20 : A C2p_exo anti
+A21 : G C2p_exo anti
+A22 : A C3p_endo anti
+A23 : U C3p_exo anti
+A24 : C C3p_endo anti
+A25 : U C2p_endo anti
+A26 : G C3p_endo anti
+A27 : A C3p_endo anti
+A28 : G C3p_endo anti
+A29 : C C3p_endo anti
+A30 : C C3p_endo anti
+A31 : U C3p_endo anti
+A32 : G C2p_exo anti
+A33 : G C2p_exo anti
+A34 : G C2p_exo syn
+A35 : A C3p_exo anti
+A36 : G C3p_endo anti
+A37 : C C3p_endo anti
+A38 : U O4p_endo anti
+A39 : C C3p_endo anti
+A40 : U C2p_exo anti
+A41 : C C3p_endo anti
+A42 : U O4p_endo anti
+A43 : G C2p_exo anti
+A44 : C C3p_endo anti
+A45 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+A21-A22 : adjacent_5p upward 
+A27-A28 : adjacent_5p upward 
+A28-A29 : adjacent_5p upward 
+A29-A30 : adjacent_5p upward 
+A36-A37 : adjacent_5p upward 
+A43-A44 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A20-A43 : outward 
+Number of stackings = 10
+Number of adjacent stackings = 9
+Number of non adjacent stackings = 1
+Base-pairs ------------------------------------------------------
+A17-A45 : G-C Ww/Ww pairing antiparallel cis XIX 
+A18-A44 : G-C Ww/Ww pairing antiparallel cis one_hbond 
+A19-A43 : C-G Ww/Ww pairing antiparallel cis XIX 
+A20-A42 : A-U Ww/Ww pairing antiparallel cis XX 
+A21-A41 : G-C Ww/Ww pairing antiparallel cis 
+A22-A23 : A-U Ss/Hh adjacent_5p pairing antiparallel trans one_hbond 
+A22-A24 : A-C O2P/Bh pairing 
+A27-A38 : A-U Ww/Ww pairing antiparallel cis XX 
+A29-A36 : C-G Ww/Ww pairing antiparallel cis 
+Residue conformations -------------------------------------------
+A17 : G C4p_exo anti
+A18 : G C3p_endo anti
+A19 : C C3p_endo anti
+A20 : A C3p_endo anti
+A21 : G C2p_exo anti
+A22 : A C4p_exo anti
+A23 : U C2p_exo anti
+A24 : C C3p_endo anti
+A25 : U C2p_endo anti
+A26 : G C2p_exo anti
+A27 : A O4p_endo anti
+A28 : G O4p_endo anti
+A29 : C C2p_exo anti
+A30 : C C2p_exo anti
+A31 : U C4p_endo anti
+A32 : G C2p_exo anti
+A33 : G C3p_endo anti
+A34 : G O4p_exo anti
+A35 : A C1p_exo anti
+A36 : G C2p_exo anti
+A37 : C C3p_endo anti
+A38 : U O4p_endo anti
+A39 : C O4p_endo anti
+A40 : U C3p_endo anti
+A41 : C C3p_endo anti
+A42 : U C3p_endo anti
+A43 : G C3p_endo anti
+A44 : C C4p_exo anti
+A45 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+A21-A22 : adjacent_5p upward 
+A22-A23 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+A27-A28 : adjacent_5p upward 
+A28-A29 : adjacent_5p upward 
+A29-A30 : adjacent_5p upward 
+A36-A37 : adjacent_5p upward 
+A43-A44 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A20-A43 : outward 
+A22-A41 : outward 
+Number of stackings = 13
+Number of adjacent stackings = 11
+Number of non adjacent stackings = 2
+Base-pairs ------------------------------------------------------
+A17-A45 : G-C Ww/Ww pairing antiparallel cis 
+A18-A44 : G-C Ww/Ww pairing antiparallel cis XIX 
+A19-A43 : C-G Ww/Ww pairing antiparallel cis XIX 
+A20-A42 : A-U Ww/Ww pairing antiparallel cis XX 
+A21-A41 : G-C Ww/Ww pairing antiparallel cis XIX 
+A26-A39 : G-C Ww/Ww pairing antiparallel cis 
+A27-A38 : A-U Ww/Ww pairing antiparallel cis XX 
+A28-A37 : G-C Ws/Ws pairing antiparallel cis one_hbond 
+A28-A38 : G-U Bs/O2' pairing 
+A29-A36 : C-G Ww/Ww pairing antiparallel cis XIX 
+A30-A33 : C-G O2'/Ss O2'/C8 pairing 
+A31-A32 : U-G O2P/Hh adjacent_5p pairing 
+A31-A33 : U-G O2P/Hh pairing 
+A33-A34 : G-G O2'/Ss O2'/C8 adjacent_5p pairing 
+Residue conformations -------------------------------------------
+A17 : G C3p_endo anti
+A18 : G C3p_endo anti
+A19 : C C2p_exo anti
+A20 : A C2p_exo anti
+A21 : G C2p_exo anti
+A22 : A C1p_endo syn
+A23 : U C2p_exo anti
+A24 : C C1p_exo anti
+A25 : U C3p_endo syn
+A26 : G C3p_endo anti
+A27 : A C4p_exo anti
+A28 : G C4p_exo anti
+A29 : C C2p_exo anti
+A30 : C C3p_endo anti
+A31 : U C3p_endo anti
+A32 : G C2p_exo anti
+A33 : G C2p_endo anti
+A34 : G C2p_exo syn
+A35 : A C3p_exo anti
+A36 : G C2p_exo anti
+A37 : C C3p_endo anti
+A38 : U O4p_endo anti
+A39 : C C4p_exo anti
+A40 : U C2p_exo anti
+A41 : C C3p_endo anti
+A42 : U C4p_exo anti
+A43 : G C3p_endo anti
+A44 : C C3p_endo anti
+A45 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A18-A19 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+A27-A28 : adjacent_5p upward 
+A28-A29 : adjacent_5p upward 
+A36-A37 : adjacent_5p upward 
+A37-A38 : adjacent_5p upward 
+A43-A44 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A18-A45 : outward 
+A20-A43 : outward 
+A21-A42 : outward 
+Number of stackings = 11
+Number of adjacent stackings = 8
+Number of non adjacent stackings = 3
+Base-pairs ------------------------------------------------------
+A18-A44 : G-C Ww/Ww pairing antiparallel cis one_hbond 
+A19-A43 : C-G Ww/Ww pairing antiparallel cis XIX 
+A20-A42 : A-U Ww/Ww pairing antiparallel cis XX 
+A27-A38 : A-U Ww/Ww pairing antiparallel cis XX 
+A29-A36 : C-G Ww/Ww pairing antiparallel cis one_hbond 
+A31-A33 : U-G Ww/O2P pairing 
+A33-A34 : G-G O2P/Bs adjacent_5p pairing 
+A34-A35 : G-A O2'/Hh O2'/C8 adjacent_5p pairing 
+Residue conformations -------------------------------------------
+A17 : G C3p_endo anti
+A18 : G C3p_endo anti
+A19 : C C3p_endo anti
+A20 : A C3p_endo anti
+A21 : G C3p_endo anti
+A22 : A C2p_exo anti
+A23 : U C2p_exo anti
+A24 : C C3p_endo anti
+A25 : U C3p_endo syn
+A26 : G C3p_endo anti
+A27 : A C4p_exo anti
+A28 : G O4p_endo anti
+A29 : C C2p_exo anti
+A30 : C O4p_endo anti
+A31 : U C3p_endo anti
+A32 : G C3p_endo anti
+A33 : G C3p_exo anti
+A34 : G C3p_endo anti
+A35 : A C2p_endo anti
+A36 : G C2p_exo anti
+A37 : C C3p_endo anti
+A38 : U C3p_endo anti
+A39 : C C3p_endo anti
+A40 : U C2p_exo anti
+A41 : C C3p_endo anti
+A42 : U C3p_endo anti
+A43 : G C3p_endo anti
+A44 : C C2p_exo anti
+A45 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A18-A19 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+A21-A22 : adjacent_5p upward 
+A23-A24 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+A27-A28 : adjacent_5p upward 
+A37-A38 : adjacent_5p upward 
+A43-A44 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A18-A45 : outward 
+A20-A43 : outward 
+A27-A39 : outward 
+Number of stackings = 12
+Number of adjacent stackings = 9
+Number of non adjacent stackings = 3
+Base-pairs ------------------------------------------------------
+A17-A45 : G-C Ww/Ww pairing antiparallel cis 
+A18-A44 : G-C Ww/Ww pairing antiparallel cis XIX 
+A19-A43 : C-G Ww/Ww pairing antiparallel cis XIX 
+A20-A42 : A-U Ww/Ww pairing antiparallel cis XX 
+A21-A41 : G-C Ww/Ww pairing antiparallel cis XIX 
+A22-A40 : A-U Bs/Ws pairing antiparallel cis one_hbond 
+A26-A39 : G-C Ww/Ww pairing antiparallel cis XIX 
+A27-A38 : A-U Ww/Ww pairing antiparallel cis XX 
+A28-A37 : G-C Ww/Ww pairing antiparallel cis XIX 
+A29-A36 : C-G Ws/Ww pairing antiparallel cis one_hbond 
+A31-A32 : U-G Ww/Hw adjacent_5p pairing parallel cis one_hbond 
+Residue conformations -------------------------------------------
+A17 : G C3p_endo anti
+A18 : G C2p_exo anti
+A19 : C C3p_endo anti
+A20 : A C3p_endo anti
+A21 : G C2p_exo anti
+A22 : A C3p_endo anti
+A23 : U C3p_exo anti
+A24 : C C3p_endo anti
+A25 : U C1p_exo syn
+A26 : G C3p_endo anti
+A27 : A O4p_endo anti
+A28 : G O4p_endo anti
+A29 : C C2p_exo anti
+A30 : C C2p_exo anti
+A31 : U C3p_endo anti
+A32 : G C3p_endo anti
+A33 : G C2p_endo anti
+A34 : G C2p_exo anti
+A35 : A C4p_endo anti
+A36 : G C2p_exo anti
+A37 : C C3p_endo anti
+A38 : U C2p_exo anti
+A39 : C C3p_endo anti
+A40 : U C3p_endo anti
+A41 : C C3p_endo anti
+A42 : U C2p_exo anti
+A43 : G C3p_endo anti
+A44 : C C2p_exo anti
+A45 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+A21-A22 : adjacent_5p upward 
+A22-A23 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+A27-A28 : adjacent_5p upward 
+A36-A37 : adjacent_5p upward 
+A39-A40 : adjacent_5p upward 
+A43-A44 : adjacent_5p upward 
+A44-A45 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A20-A43 : outward 
+A21-A42 : outward 
+A22-A41 : outward 
+Number of stackings = 15
+Number of adjacent stackings = 12
+Number of non adjacent stackings = 3
+Base-pairs ------------------------------------------------------
+A17-A45 : G-C Ww/Ww pairing antiparallel cis 
+A19-A43 : C-G Ww/Ww pairing antiparallel cis XIX 
+A20-A42 : A-U Ww/Ww pairing antiparallel cis XX 
+A21-A41 : G-C Ww/Ww pairing antiparallel cis 
+A26-A39 : G-C Ww/Ww pairing antiparallel cis XIX 
+A27-A38 : A-U Ww/Ww pairing antiparallel cis XX 
+A29-A36 : C-G Ww/Ww pairing antiparallel cis XIX 
+A34-A35 : G-A O2'/Hh O2'/C8 adjacent_5p pairing 
diff --git a/MCdata/1aq3_MC b/MCdata/1aq3_MC
new file mode 100644
index 0000000000000000000000000000000000000000..8e8cff28621cbc0b713dd54b5230368c68112f47
--- /dev/null
+++ b/MCdata/1aq3_MC
@@ -0,0 +1,663 @@
+Residue conformations -------------------------------------------
+R3 : A C3p_endo anti
+R4 : U C3p_endo anti
+R5 : G C3p_endo anti
+R6 : A C2p_exo syn
+R7 : G C3p_endo anti
+R8 : G C3p_endo anti
+R9 : A C3p_endo anti
+R10 : U C2p_endo anti
+R11 : U C2p_endo anti
+R12 : A C2p_endo anti
+R13 : C C3p_endo anti
+R14 : C C3p_endo anti
+R15 : C C3p_endo anti
+R16 : A C3p_endo anti
+R17 : U C3p_endo anti
+R18 : G C4p_exo anti
+S4 : U C3p_endo anti
+S5 : G C3p_endo anti
+S6 : A C2p_exo syn
+S7 : G C3p_endo anti
+S8 : G C3p_endo anti
+S9 : A C3p_endo anti
+S10 : U C1p_exo anti
+S11 : U C2p_endo anti
+S12 : A C2p_endo anti
+S13 : C C3p_endo anti
+S14 : C C3p_endo anti
+S15 : C C3p_endo anti
+A1 : ALA
+A2 : SER
+A3 : ASN
+A4 : PHE
+A5 : THR
+A6 : GLN
+A7 : PHE
+A8 : VAL
+A9 : LEU
+A10 : VAL
+A11 : ASP
+A12 : ASN
+A13 : GLY
+A14 : GLY
+A15 : THR
+A16 : GLY
+A17 : ASP
+A18 : VAL
+A19 : THR
+A20 : VAL
+A21 : ALA
+A22 : PRO
+A23 : SER
+A24 : ASN
+A25 : PHE
+A26 : ALA
+A27 : ASN
+A28 : GLY
+A29 : VAL
+A30 : ALA
+A31 : GLU
+A32 : TRP
+A33 : ILE
+A34 : SER
+A35 : SER
+A36 : ASN
+A37 : SER
+A38 : ARG
+A39 : SER
+A40 : GLN
+A41 : ALA
+A42 : TYR
+A43 : LYS
+A44 : VAL
+A45 : THR
+A46 : CYS
+A47 : SER
+A48 : VAL
+A49 : ARG
+A50 : GLN
+A51 : SER
+A52 : SER
+A53 : ALA
+A54 : GLN
+A55 : ASN
+A56 : ARG
+A57 : LYS
+A58 : TYR
+A59 : SER
+A60 : ILE
+A61 : LYS
+A62 : VAL
+A63 : GLU
+A64 : VAL
+A65 : PRO
+A66 : LYS
+A67 : VAL
+A68 : ALA
+A69 : THR
+A70 : GLN
+A71 : THR
+A72 : VAL
+A73 : GLY
+A74 : GLY
+A75 : VAL
+A76 : GLU
+A77 : LEU
+A78 : PRO
+A79 : VAL
+A80 : ALA
+A81 : ALA
+A82 : TRP
+A83 : ARG
+A84 : SER
+A85 : TYR
+A86 : LEU
+A87 : ASN
+A88 : MET
+A89 : GLU
+A90 : LEU
+A91 : THR
+A92 : ILE
+A93 : PRO
+A94 : ILE
+A95 : PHE
+A96 : ALA
+A97 : THR
+A98 : ASN
+A99 : SER
+A100 : ASP
+A101 : CYS
+A102 : GLU
+A103 : LEU
+A104 : ILE
+A105 : VAL
+A106 : LYS
+A107 : ALA
+A108 : MET
+A109 : GLN
+A110 : GLY
+A111 : LEU
+A112 : LEU
+A113 : LYS
+A114 : ASP
+A115 : GLY
+A116 : ASN
+A117 : PRO
+A118 : ILE
+A119 : PRO
+A120 : SER
+A121 : ALA
+A122 : ILE
+A123 : ALA
+A124 : ALA
+A125 : ASN
+A126 : SER
+A127 : GLY
+A128 : ILE
+A129 : TYR
+B1 : ALA
+B2 : SER
+B3 : ASN
+B4 : PHE
+B5 : THR
+B6 : GLN
+B7 : PHE
+B8 : VAL
+B9 : LEU
+B10 : VAL
+B11 : ASP
+B12 : ASN
+B13 : GLY
+B14 : GLY
+B15 : THR
+B16 : GLY
+B17 : ASP
+B18 : VAL
+B19 : THR
+B20 : VAL
+B21 : ALA
+B22 : PRO
+B23 : SER
+B24 : ASN
+B25 : PHE
+B26 : ALA
+B27 : ASN
+B28 : GLY
+B29 : VAL
+B30 : ALA
+B31 : GLU
+B32 : TRP
+B33 : ILE
+B34 : SER
+B35 : SER
+B36 : ASN
+B37 : SER
+B38 : ARG
+B39 : SER
+B40 : GLN
+B41 : ALA
+B42 : TYR
+B43 : LYS
+B44 : VAL
+B45 : THR
+B46 : CYS
+B47 : SER
+B48 : VAL
+B49 : ARG
+B50 : GLN
+B51 : SER
+B52 : SER
+B53 : ALA
+B54 : GLN
+B55 : ASN
+B56 : ARG
+B57 : LYS
+B58 : TYR
+B59 : SER
+B60 : ILE
+B61 : LYS
+B62 : VAL
+B63 : GLU
+B64 : VAL
+B65 : PRO
+B66 : LYS
+B67 : VAL
+B68 : ALA
+B69 : THR
+B70 : GLN
+B71 : THR
+B72 : VAL
+B73 : GLY
+B74 : GLY
+B75 : VAL
+B76 : GLU
+B77 : LEU
+B78 : PRO
+B79 : VAL
+B80 : ALA
+B81 : ALA
+B82 : TRP
+B83 : ARG
+B84 : SER
+B85 : TYR
+B86 : LEU
+B87 : ASN
+B88 : MET
+B89 : GLU
+B90 : LEU
+B91 : THR
+B92 : ILE
+B93 : PRO
+B94 : ILE
+B95 : PHE
+B96 : ALA
+B97 : THR
+B98 : ASN
+B99 : SER
+B100 : ASP
+B101 : CYS
+B102 : GLU
+B103 : LEU
+B104 : ILE
+B105 : VAL
+B106 : LYS
+B107 : ALA
+B108 : MET
+B109 : GLN
+B110 : GLY
+B111 : LEU
+B112 : LEU
+B113 : LYS
+B114 : ASP
+B115 : GLY
+B116 : ASN
+B117 : PRO
+B118 : ILE
+B119 : PRO
+B120 : SER
+B121 : ALA
+B122 : ILE
+B123 : ALA
+B124 : ALA
+B125 : ASN
+B126 : SER
+B127 : GLY
+B128 : ILE
+B129 : TYR
+C1 : ALA
+C2 : SER
+C3 : ASN
+C4 : PHE
+C5 : THR
+C6 : GLN
+C7 : PHE
+C8 : VAL
+C9 : LEU
+C10 : VAL
+C11 : ASP
+C12 : ASN
+C13 : GLY
+C14 : GLY
+C15 : THR
+C16 : GLY
+C17 : ASP
+C18 : VAL
+C19 : THR
+C20 : VAL
+C21 : ALA
+C22 : PRO
+C23 : SER
+C24 : ASN
+C25 : PHE
+C26 : ALA
+C27 : ASN
+C28 : GLY
+C29 : VAL
+C30 : ALA
+C31 : GLU
+C32 : TRP
+C33 : ILE
+C34 : SER
+C35 : SER
+C36 : ASN
+C37 : SER
+C38 : ARG
+C39 : SER
+C40 : GLN
+C41 : ALA
+C42 : TYR
+C43 : LYS
+C44 : VAL
+C45 : THR
+C46 : CYS
+C47 : SER
+C48 : VAL
+C49 : ARG
+C50 : GLN
+C51 : SER
+C52 : SER
+C53 : ALA
+C54 : GLN
+C55 : ASN
+C56 : ARG
+C57 : LYS
+C58 : TYR
+C59 : SER
+C60 : ILE
+C61 : LYS
+C62 : VAL
+C63 : GLU
+C64 : VAL
+C65 : PRO
+C66 : LYS
+C67 : VAL
+C68 : ALA
+C69 : THR
+C70 : GLN
+C71 : THR
+C72 : VAL
+C73 : GLY
+C74 : GLY
+C75 : VAL
+C76 : GLU
+C77 : LEU
+C78 : PRO
+C79 : VAL
+C80 : ALA
+C81 : ALA
+C82 : TRP
+C83 : ARG
+C84 : SER
+C85 : TYR
+C86 : LEU
+C87 : ASN
+C88 : MET
+C89 : GLU
+C90 : LEU
+C91 : THR
+C92 : ILE
+C93 : PRO
+C94 : ILE
+C95 : PHE
+C96 : ALA
+C97 : THR
+C98 : ASN
+C99 : SER
+C100 : ASP
+C101 : CYS
+C102 : GLU
+C103 : LEU
+C104 : ILE
+C105 : VAL
+C106 : LYS
+C107 : ALA
+C108 : MET
+C109 : GLN
+C110 : GLY
+C111 : LEU
+C112 : LEU
+C113 : LYS
+C114 : ASP
+C115 : GLY
+C116 : ASN
+C117 : PRO
+C118 : ILE
+C119 : PRO
+C120 : SER
+C121 : ALA
+C122 : ILE
+C123 : ALA
+C124 : ALA
+C125 : ASN
+C126 : SER
+C127 : GLY
+C128 : ILE
+C129 : TYR
+R60 : HOH
+R214 : HOH
+R2059 : HOH
+S169 : HOH
+A130 : HOH
+A131 : HOH
+A132 : HOH
+A133 : HOH
+A134 : HOH
+A135 : HOH
+A136 : HOH
+A137 : HOH
+A138 : HOH
+A139 : HOH
+A140 : HOH
+A141 : HOH
+A142 : HOH
+A143 : HOH
+A144 : HOH
+A145 : HOH
+A146 : HOH
+A147 : HOH
+A148 : HOH
+A149 : HOH
+A150 : HOH
+A151 : HOH
+A152 : HOH
+A153 : HOH
+A154 : HOH
+A155 : HOH
+A156 : HOH
+A157 : HOH
+A158 : HOH
+A159 : HOH
+A160 : HOH
+A161 : HOH
+A162 : HOH
+A163 : HOH
+A164 : HOH
+A165 : HOH
+A166 : HOH
+A167 : HOH
+A168 : HOH
+A169 : HOH
+A170 : HOH
+A171 : HOH
+A172 : HOH
+A173 : HOH
+A174 : HOH
+A175 : HOH
+A176 : HOH
+A177 : HOH
+A178 : HOH
+A179 : HOH
+A180 : HOH
+A181 : HOH
+A182 : HOH
+A183 : HOH
+A184 : HOH
+A185 : HOH
+A186 : HOH
+A187 : HOH
+A188 : HOH
+A189 : HOH
+A190 : HOH
+A191 : HOH
+A192 : HOH
+A193 : HOH
+A194 : HOH
+A195 : HOH
+A196 : HOH
+A197 : HOH
+A198 : HOH
+A199 : HOH
+A200 : HOH
+A201 : HOH
+A202 : HOH
+A203 : HOH
+B130 : HOH
+B131 : HOH
+B132 : HOH
+B133 : HOH
+B134 : HOH
+B135 : HOH
+B136 : HOH
+B137 : HOH
+B138 : HOH
+B139 : HOH
+B140 : HOH
+B141 : HOH
+B142 : HOH
+B143 : HOH
+B144 : HOH
+B145 : HOH
+B146 : HOH
+B147 : HOH
+B148 : HOH
+B149 : HOH
+B150 : HOH
+B151 : HOH
+B152 : HOH
+B153 : HOH
+B154 : HOH
+B155 : HOH
+B156 : HOH
+B157 : HOH
+B158 : HOH
+B159 : HOH
+B160 : HOH
+B161 : HOH
+B162 : HOH
+B163 : HOH
+B164 : HOH
+B165 : HOH
+B166 : HOH
+B167 : HOH
+B168 : HOH
+B169 : HOH
+B170 : HOH
+B171 : HOH
+B172 : HOH
+B173 : HOH
+B174 : HOH
+B175 : HOH
+B176 : HOH
+B177 : HOH
+B178 : HOH
+B179 : HOH
+B180 : HOH
+B181 : HOH
+B182 : HOH
+B183 : HOH
+B184 : HOH
+B185 : HOH
+B186 : HOH
+B187 : HOH
+B188 : HOH
+B189 : HOH
+B190 : HOH
+B191 : HOH
+B192 : HOH
+B193 : HOH
+B194 : HOH
+B195 : HOH
+B196 : HOH
+C130 : HOH
+C131 : HOH
+C132 : HOH
+C133 : HOH
+C134 : HOH
+C135 : HOH
+C136 : HOH
+C137 : HOH
+C138 : HOH
+C139 : HOH
+C140 : HOH
+C141 : HOH
+C142 : HOH
+C143 : HOH
+C144 : HOH
+C145 : HOH
+C146 : HOH
+C147 : HOH
+C148 : HOH
+C149 : HOH
+C150 : HOH
+C151 : HOH
+C152 : HOH
+C153 : HOH
+C154 : HOH
+C155 : HOH
+C156 : HOH
+C157 : HOH
+C158 : HOH
+C159 : HOH
+C160 : HOH
+C161 : HOH
+C162 : HOH
+C163 : HOH
+C164 : HOH
+C165 : HOH
+C166 : HOH
+C167 : HOH
+C168 : HOH
+C169 : HOH
+C170 : HOH
+C171 : HOH
+C172 : HOH
+C173 : HOH
+C174 : HOH
+C175 : HOH
+C176 : HOH
+C177 : HOH
+C178 : HOH
+C179 : HOH
+C180 : HOH
+C181 : HOH
+C182 : HOH
+C183 : HOH
+C184 : HOH
+C185 : HOH
+C186 : HOH
+C187 : HOH
+C188 : HOH
+C189 : HOH
+C190 : HOH
+C191 : HOH
+C192 : HOH
+C193 : HOH
+C194 : HOH
+C195 : HOH
+C196 : HOH
+C197 : HOH
+C198 : HOH
+C199 : HOH
+C200 : HOH
+Adjacent stackings ----------------------------------------------
+R3-R4 : adjacent_5p upward 
+R7-R8 : adjacent_5p upward 
+R8-R9 : adjacent_5p upward 
+R15-R16 : adjacent_5p upward 
+R16-R17 : adjacent_5p upward 
+S4-S5 : adjacent_5p upward 
+S7-S8 : adjacent_5p upward 
+S8-S9 : adjacent_5p upward 
+S13-S14 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+R3-R18 : outward 
+R5-R7 : upward 
+R5-R16 : outward 
+R9-R11 : upward 
+S5-S7 : upward 
+S7-S15 : outward 
+S9-S11 : upward 
+S9-S13 : outward 
+Number of stackings = 17
+Number of adjacent stackings = 9
+Number of non adjacent stackings = 8
+Base-pairs ------------------------------------------------------
+R3-R17 : A-U Ww/Ww pairing antiparallel cis XX 
+R4-R16 : U-A Ww/Ww pairing antiparallel cis XX 
+R5-R15 : G-C Ww/Ww pairing antiparallel cis XIX 
+R7-R14 : G-C Ww/Ww pairing antiparallel cis XIX 
+R8-R13 : G-C Ww/Ww pairing antiparallel cis XIX 
+S5-S15 : G-C Ww/Ww pairing antiparallel cis XIX 
+S7-S14 : G-C Ww/Ww pairing antiparallel cis XIX 
+S8-S13 : G-C Ww/Ww pairing antiparallel cis XIX 
diff --git a/MCdata/1aq4_MC b/MCdata/1aq4_MC
new file mode 100644
index 0000000000000000000000000000000000000000..593c7ef682b595ef93568d0987489a229caf506c
--- /dev/null
+++ b/MCdata/1aq4_MC
@@ -0,0 +1,667 @@
+Residue conformations -------------------------------------------
+R3 : A C3p_endo anti
+R4 : U C3p_endo anti
+R5 : G C3p_endo anti
+R6 : A C2p_exo syn
+R7 : G C3p_endo anti
+R8 : G C3p_endo anti
+R9 : A C3p_endo anti
+R10 : U C2p_endo anti
+R11 : U C2p_endo anti
+R12 : A C2p_endo anti
+R13 : C C3p_endo anti
+R14 : C C3p_endo anti
+R15 : C C3p_endo anti
+R16 : A C3p_endo anti
+R17 : U C3p_endo anti
+R18 : G C4p_exo anti
+S3 : A C3p_endo anti
+S4 : U C3p_endo anti
+S5 : G C3p_endo anti
+S6 : A C2p_exo syn
+S7 : G C3p_endo anti
+S8 : G C3p_endo anti
+S9 : A C3p_endo anti
+S10 : U C2p_endo anti
+S11 : U C2p_endo anti
+S12 : A C2p_endo anti
+S13 : C C3p_endo anti
+S14 : C C3p_endo anti
+S15 : C C3p_endo anti
+S16 : A C3p_endo anti
+A1 : ALA
+A2 : SER
+A3 : ASN
+A4 : PHE
+A5 : THR
+A6 : GLN
+A7 : PHE
+A8 : VAL
+A9 : LEU
+A10 : VAL
+A11 : ASP
+A12 : ASN
+A13 : GLY
+A14 : GLY
+A15 : THR
+A16 : GLY
+A17 : ASP
+A18 : VAL
+A19 : THR
+A20 : VAL
+A21 : ALA
+A22 : PRO
+A23 : SER
+A24 : ASN
+A25 : PHE
+A26 : ALA
+A27 : ASN
+A28 : GLY
+A29 : VAL
+A30 : ALA
+A31 : GLU
+A32 : TRP
+A33 : ILE
+A34 : SER
+A35 : SER
+A36 : ASN
+A37 : SER
+A38 : ARG
+A39 : SER
+A40 : GLN
+A41 : ALA
+A42 : TYR
+A43 : LYS
+A44 : VAL
+A45 : ALA
+A46 : CYS
+A47 : SER
+A48 : VAL
+A49 : ARG
+A50 : GLN
+A51 : SER
+A52 : SER
+A53 : ALA
+A54 : GLN
+A55 : ASN
+A56 : ARG
+A57 : LYS
+A58 : TYR
+A59 : THR
+A60 : ILE
+A61 : LYS
+A62 : VAL
+A63 : GLU
+A64 : VAL
+A65 : PRO
+A66 : LYS
+A67 : VAL
+A68 : ALA
+A69 : THR
+A70 : GLN
+A71 : THR
+A72 : VAL
+A73 : GLY
+A74 : GLY
+A75 : VAL
+A76 : GLU
+A77 : LEU
+A78 : PRO
+A79 : VAL
+A80 : ALA
+A81 : ALA
+A82 : TRP
+A83 : ARG
+A84 : SER
+A85 : TYR
+A86 : LEU
+A87 : ASN
+A88 : MET
+A89 : GLU
+A90 : LEU
+A91 : THR
+A92 : ILE
+A93 : PRO
+A94 : ILE
+A95 : PHE
+A96 : ALA
+A97 : THR
+A98 : ASN
+A99 : SER
+A100 : ASP
+A101 : CYS
+A102 : GLU
+A103 : LEU
+A104 : ILE
+A105 : VAL
+A106 : LYS
+A107 : ALA
+A108 : MET
+A109 : GLN
+A110 : GLY
+A111 : LEU
+A112 : LEU
+A113 : LYS
+A114 : ASP
+A115 : GLY
+A116 : ASN
+A117 : PRO
+A118 : ILE
+A119 : PRO
+A120 : SER
+A121 : ALA
+A122 : ILE
+A123 : ALA
+A124 : ALA
+A125 : ASN
+A126 : SER
+A127 : GLY
+A128 : ILE
+A129 : TYR
+B1 : ALA
+B2 : SER
+B3 : ASN
+B4 : PHE
+B5 : THR
+B6 : GLN
+B7 : PHE
+B8 : VAL
+B9 : LEU
+B10 : VAL
+B11 : ASP
+B12 : ASN
+B13 : GLY
+B14 : GLY
+B15 : THR
+B16 : GLY
+B17 : ASP
+B18 : VAL
+B19 : THR
+B20 : VAL
+B21 : ALA
+B22 : PRO
+B23 : SER
+B24 : ASN
+B25 : PHE
+B26 : ALA
+B27 : ASN
+B28 : GLY
+B29 : VAL
+B30 : ALA
+B31 : GLU
+B32 : TRP
+B33 : ILE
+B34 : SER
+B35 : SER
+B36 : ASN
+B37 : SER
+B38 : ARG
+B39 : SER
+B40 : GLN
+B41 : ALA
+B42 : TYR
+B43 : LYS
+B44 : VAL
+B45 : ALA
+B46 : CYS
+B47 : SER
+B48 : VAL
+B49 : ARG
+B50 : GLN
+B51 : SER
+B52 : SER
+B53 : ALA
+B54 : GLN
+B55 : ASN
+B56 : ARG
+B57 : LYS
+B58 : TYR
+B59 : THR
+B60 : ILE
+B61 : LYS
+B62 : VAL
+B63 : GLU
+B64 : VAL
+B65 : PRO
+B66 : LYS
+B67 : VAL
+B68 : ALA
+B69 : THR
+B70 : GLN
+B71 : THR
+B72 : VAL
+B73 : GLY
+B74 : GLY
+B75 : VAL
+B76 : GLU
+B77 : LEU
+B78 : PRO
+B79 : VAL
+B80 : ALA
+B81 : ALA
+B82 : TRP
+B83 : ARG
+B84 : SER
+B85 : TYR
+B86 : LEU
+B87 : ASN
+B88 : MET
+B89 : GLU
+B90 : LEU
+B91 : THR
+B92 : ILE
+B93 : PRO
+B94 : ILE
+B95 : PHE
+B96 : ALA
+B97 : THR
+B98 : ASN
+B99 : SER
+B100 : ASP
+B101 : CYS
+B102 : GLU
+B103 : LEU
+B104 : ILE
+B105 : VAL
+B106 : LYS
+B107 : ALA
+B108 : MET
+B109 : GLN
+B110 : GLY
+B111 : LEU
+B112 : LEU
+B113 : LYS
+B114 : ASP
+B115 : GLY
+B116 : ASN
+B117 : PRO
+B118 : ILE
+B119 : PRO
+B120 : SER
+B121 : ALA
+B122 : ILE
+B123 : ALA
+B124 : ALA
+B125 : ASN
+B126 : SER
+B127 : GLY
+B128 : ILE
+B129 : TYR
+C1 : ALA
+C2 : SER
+C3 : ASN
+C4 : PHE
+C5 : THR
+C6 : GLN
+C7 : PHE
+C8 : VAL
+C9 : LEU
+C10 : VAL
+C11 : ASP
+C12 : ASN
+C13 : GLY
+C14 : GLY
+C15 : THR
+C16 : GLY
+C17 : ASP
+C18 : VAL
+C19 : THR
+C20 : VAL
+C21 : ALA
+C22 : PRO
+C23 : SER
+C24 : ASN
+C25 : PHE
+C26 : ALA
+C27 : ASN
+C28 : GLY
+C29 : VAL
+C30 : ALA
+C31 : GLU
+C32 : TRP
+C33 : ILE
+C34 : SER
+C35 : SER
+C36 : ASN
+C37 : SER
+C38 : ARG
+C39 : SER
+C40 : GLN
+C41 : ALA
+C42 : TYR
+C43 : LYS
+C44 : VAL
+C45 : ALA
+C46 : CYS
+C47 : SER
+C48 : VAL
+C49 : ARG
+C50 : GLN
+C51 : SER
+C52 : SER
+C53 : ALA
+C54 : GLN
+C55 : ASN
+C56 : ARG
+C57 : LYS
+C58 : TYR
+C59 : THR
+C60 : ILE
+C61 : LYS
+C62 : VAL
+C63 : GLU
+C64 : VAL
+C65 : PRO
+C66 : LYS
+C67 : VAL
+C68 : ALA
+C69 : THR
+C70 : GLN
+C71 : THR
+C72 : VAL
+C73 : GLY
+C74 : GLY
+C75 : VAL
+C76 : GLU
+C77 : LEU
+C78 : PRO
+C79 : VAL
+C80 : ALA
+C81 : ALA
+C82 : TRP
+C83 : ARG
+C84 : SER
+C85 : TYR
+C86 : LEU
+C87 : ASN
+C88 : MET
+C89 : GLU
+C90 : LEU
+C91 : THR
+C92 : ILE
+C93 : PRO
+C94 : ILE
+C95 : PHE
+C96 : ALA
+C97 : THR
+C98 : ASN
+C99 : SER
+C100 : ASP
+C101 : CYS
+C102 : GLU
+C103 : LEU
+C104 : ILE
+C105 : VAL
+C106 : LYS
+C107 : ALA
+C108 : MET
+C109 : GLN
+C110 : GLY
+C111 : LEU
+C112 : LEU
+C113 : LYS
+C114 : ASP
+C115 : GLY
+C116 : ASN
+C117 : PRO
+C118 : ILE
+C119 : PRO
+C120 : SER
+C121 : ALA
+C122 : ILE
+C123 : ALA
+C124 : ALA
+C125 : ASN
+C126 : SER
+C127 : GLY
+C128 : ILE
+C129 : TYR
+R214 : HOH
+R2059 : HOH
+S166 : HOH
+S169 : HOH
+A130 : HOH
+A131 : HOH
+A132 : HOH
+A133 : HOH
+A134 : HOH
+A135 : HOH
+A136 : HOH
+A137 : HOH
+A138 : HOH
+A139 : HOH
+A140 : HOH
+A141 : HOH
+A142 : HOH
+A143 : HOH
+A144 : HOH
+A145 : HOH
+A146 : HOH
+A147 : HOH
+A148 : HOH
+A149 : HOH
+A150 : HOH
+A151 : HOH
+A152 : HOH
+A153 : HOH
+A154 : HOH
+A155 : HOH
+A156 : HOH
+A157 : HOH
+A158 : HOH
+A159 : HOH
+A160 : HOH
+A161 : HOH
+A162 : HOH
+A163 : HOH
+A164 : HOH
+A165 : HOH
+A166 : HOH
+A167 : HOH
+A168 : HOH
+A169 : HOH
+A170 : HOH
+A171 : HOH
+A172 : HOH
+A173 : HOH
+A174 : HOH
+A175 : HOH
+A176 : HOH
+A177 : HOH
+A178 : HOH
+A179 : HOH
+A180 : HOH
+A181 : HOH
+A182 : HOH
+A183 : HOH
+A184 : HOH
+A185 : HOH
+A186 : HOH
+A187 : HOH
+A188 : HOH
+A189 : HOH
+A190 : HOH
+A191 : HOH
+A192 : HOH
+A193 : HOH
+A194 : HOH
+A195 : HOH
+A196 : HOH
+A197 : HOH
+A198 : HOH
+A199 : HOH
+A200 : HOH
+A201 : HOH
+B130 : HOH
+B131 : HOH
+B132 : HOH
+B133 : HOH
+B134 : HOH
+B135 : HOH
+B136 : HOH
+B137 : HOH
+B138 : HOH
+B139 : HOH
+B140 : HOH
+B141 : HOH
+B142 : HOH
+B143 : HOH
+B144 : HOH
+B145 : HOH
+B146 : HOH
+B147 : HOH
+B148 : HOH
+B149 : HOH
+B150 : HOH
+B151 : HOH
+B152 : HOH
+B153 : HOH
+B154 : HOH
+B155 : HOH
+B156 : HOH
+B157 : HOH
+B158 : HOH
+B159 : HOH
+B160 : HOH
+B161 : HOH
+B162 : HOH
+B163 : HOH
+B164 : HOH
+B165 : HOH
+B166 : HOH
+B167 : HOH
+B168 : HOH
+B169 : HOH
+B170 : HOH
+B171 : HOH
+B172 : HOH
+B173 : HOH
+B174 : HOH
+B175 : HOH
+B176 : HOH
+B177 : HOH
+B178 : HOH
+B179 : HOH
+B180 : HOH
+B181 : HOH
+B182 : HOH
+B183 : HOH
+B184 : HOH
+B185 : HOH
+B186 : HOH
+B187 : HOH
+B188 : HOH
+B189 : HOH
+B190 : HOH
+B191 : HOH
+B192 : HOH
+B193 : HOH
+B194 : HOH
+B195 : HOH
+B196 : HOH
+C130 : HOH
+C131 : HOH
+C132 : HOH
+C133 : HOH
+C134 : HOH
+C135 : HOH
+C136 : HOH
+C137 : HOH
+C138 : HOH
+C139 : HOH
+C140 : HOH
+C141 : HOH
+C142 : HOH
+C143 : HOH
+C144 : HOH
+C145 : HOH
+C146 : HOH
+C147 : HOH
+C148 : HOH
+C149 : HOH
+C150 : HOH
+C151 : HOH
+C152 : HOH
+C153 : HOH
+C154 : HOH
+C155 : HOH
+C156 : HOH
+C157 : HOH
+C158 : HOH
+C159 : HOH
+C160 : HOH
+C161 : HOH
+C162 : HOH
+C163 : HOH
+C164 : HOH
+C165 : HOH
+C166 : HOH
+C167 : HOH
+C168 : HOH
+C169 : HOH
+C170 : HOH
+C171 : HOH
+C172 : HOH
+C173 : HOH
+C174 : HOH
+C175 : HOH
+C176 : HOH
+C177 : HOH
+C178 : HOH
+C179 : HOH
+C180 : HOH
+C181 : HOH
+C182 : HOH
+C183 : HOH
+C184 : HOH
+C185 : HOH
+C186 : HOH
+C187 : HOH
+C188 : HOH
+C189 : HOH
+C190 : HOH
+C191 : HOH
+C192 : HOH
+C193 : HOH
+C194 : HOH
+C195 : HOH
+C196 : HOH
+C197 : HOH
+C198 : HOH
+C199 : HOH
+C200 : HOH
+Adjacent stackings ----------------------------------------------
+R3-R4 : adjacent_5p upward 
+R4-R5 : adjacent_5p upward 
+R7-R8 : adjacent_5p upward 
+R8-R9 : adjacent_5p upward 
+R15-R16 : adjacent_5p upward 
+R16-R17 : adjacent_5p upward 
+S3-S4 : adjacent_5p upward 
+S4-S5 : adjacent_5p upward 
+S7-S8 : adjacent_5p upward 
+S8-S9 : adjacent_5p upward 
+S13-S14 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+R3-R18 : outward 
+R5-R7 : upward 
+R5-R16 : outward 
+R9-R11 : upward 
+S5-S7 : upward 
+S5-S16 : outward 
+S7-S15 : outward 
+S9-S11 : upward 
+S9-S13 : outward 
+Number of stackings = 20
+Number of adjacent stackings = 11
+Number of non adjacent stackings = 9
+Base-pairs ------------------------------------------------------
+R3-R17 : A-U Ww/Ww pairing antiparallel cis XX 
+R4-R16 : U-A Ww/Ww pairing antiparallel cis XX 
+R5-R15 : G-C Ww/Ww pairing antiparallel cis XIX 
+R7-R14 : G-C Ww/Ww pairing antiparallel cis XIX 
+R8-R13 : G-C Ww/Ww pairing antiparallel cis XIX 
+S4-S16 : U-A Ww/Ww pairing antiparallel cis XX 
+S5-S15 : G-C Ww/Ww pairing antiparallel cis XIX 
+S7-S14 : G-C Ww/Ww pairing antiparallel cis XIX 
+S8-S13 : G-C Ww/Ww pairing antiparallel cis XIX 
diff --git a/MCdata/1aqo_MC b/MCdata/1aqo_MC
new file mode 100644
index 0000000000000000000000000000000000000000..f1d883911d9b14939e929f52031e8760804ca4af
--- /dev/null
+++ b/MCdata/1aqo_MC
@@ -0,0 +1,1014 @@
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : A C3p_endo anti
+A4 : G C3p_endo anti
+A5 : U C3p_endo anti
+A6 : G C2p_endo anti
+A7 : C C2p_endo anti
+A8 : U C3p_endo anti
+A9 : U C3p_endo anti
+A10 : C C3p_endo anti
+A11 : A C3p_endo anti
+A12 : A C3p_endo anti
+A13 : C C3p_endo anti
+A14 : A C3p_endo anti
+A15 : G C3p_exo syn
+A16 : U C2p_endo anti
+A17 : G C2p_endo anti
+A18 : C C2p_endo anti
+A19 : U C3p_endo anti
+A20 : U C3p_endo anti
+A21 : G C3p_endo anti
+A22 : G C3p_endo anti
+A23 : A C3p_endo anti
+A24 : C C3p_endo anti
+A25 : G C3p_endo anti
+A26 : C C3p_endo anti
+A27 : U C3p_endo anti
+A28 : C C3p_endo anti
+A29 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+A21-A22 : adjacent_5p upward 
+A22-A23 : adjacent_5p upward 
+A23-A24 : adjacent_5p upward pairing 
+A25-A26 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A3-A28 : outward 
+A6-A25 : outward 
+A14-A17 : outward 
+A17-A19 : upward 
+Number of stackings = 18
+Number of adjacent stackings = 14
+Number of non adjacent stackings = 4
+Base-pairs ------------------------------------------------------
+A1-A29 : G-C Ww/Ww pairing antiparallel cis 
+A2-A28 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A27 : A-U Ww/Ww pairing antiparallel cis XX 
+A4-A26 : G-C Ww/Ww pairing antiparallel cis 
+A5-A25 : U-G Ww/Wh pairing antiparallel cis one_hbond 
+A6-A24 : G-C Ww/Ww pairing antiparallel cis XIX 
+A9-A22 : U-G Ws/Ww pairing antiparallel cis XXVIII 
+A11-A20 : A-U Ww/Ww pairing antiparallel cis XX 
+A12-A19 : A-U Ww/Ww pairing antiparallel cis XX 
+A13-A17 : C-G Ww/Ww pairing antiparallel cis XIX 
+A23-A24 : A-C O2P/Bh adjacent_5p upward pairing 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : A C3p_endo anti
+A4 : G C3p_endo anti
+A5 : U C3p_endo anti
+A6 : G C2p_endo anti
+A7 : C C2p_endo anti
+A8 : U C3p_endo anti
+A9 : U C4p_exo anti
+A10 : C C3p_endo anti
+A11 : A C3p_endo anti
+A12 : A C3p_endo anti
+A13 : C C3p_endo anti
+A14 : A C3p_endo anti
+A15 : G C3p_exo syn
+A16 : U C3p_exo anti
+A17 : G C3p_exo syn
+A18 : C C2p_endo anti
+A19 : U C4p_exo anti
+A20 : U C3p_endo anti
+A21 : G C3p_endo anti
+A22 : G C3p_endo anti
+A23 : A C3p_endo anti
+A24 : C C3p_endo anti
+A25 : G C3p_endo anti
+A26 : C C3p_endo anti
+A27 : U C3p_endo anti
+A28 : C C3p_endo anti
+A29 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+A22-A23 : adjacent_5p upward 
+A23-A24 : adjacent_5p upward 
+A25-A26 : adjacent_5p upward 
+A27-A28 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-A27 : outward 
+A6-A25 : outward 
+A11-A21 : outward 
+A14-A17 : outward 
+Number of stackings = 17
+Number of adjacent stackings = 13
+Number of non adjacent stackings = 4
+Base-pairs ------------------------------------------------------
+A1-A29 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A28 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A27 : A-U Ww/Ww pairing antiparallel cis XX 
+A4-A26 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-A25 : U-G Ww/Wh pairing antiparallel cis one_hbond 
+A7-A9 : C-U Ws/Hh pairing parallel cis one_hbond 
+A7-A17 : C-G Hw/Hh pairing antiparallel cis one_hbond 116 
+A8-A23 : U-A Ww/Ww pairing antiparallel cis XX 
+A9-A22 : U-G Ws/Ww pairing antiparallel cis XXVIII 
+A10-A21 : C-G Ww/Ww pairing antiparallel cis XIX 
+A11-A20 : A-U Ww/Ww pairing antiparallel cis XX 
+A16-A17 : U-G O2'/Hh adjacent_5p pairing 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : A C3p_endo anti
+A4 : G C3p_endo anti
+A5 : U C3p_endo anti
+A6 : G C2p_endo anti
+A7 : C C2p_endo anti
+A8 : U C3p_endo anti
+A9 : U C4p_exo anti
+A10 : C C3p_endo anti
+A11 : A C3p_endo anti
+A12 : A C3p_endo anti
+A13 : C C3p_endo anti
+A14 : A C3p_endo anti
+A15 : G C3p_exo syn
+A16 : U C2p_endo anti
+A17 : G C3p_exo anti
+A18 : C C2p_endo anti
+A19 : U C4p_exo anti
+A20 : U C3p_endo anti
+A21 : G C3p_endo anti
+A22 : G C3p_endo anti
+A23 : A C3p_endo anti
+A24 : C C3p_endo anti
+A25 : G C3p_endo anti
+A26 : C C3p_endo anti
+A27 : U C3p_endo anti
+A28 : C C3p_endo anti
+A29 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A21-A22 : adjacent_5p upward 
+A22-A23 : adjacent_5p upward 
+A23-A24 : adjacent_5p upward 
+A24-A25 : adjacent_5p upward 
+A25-A26 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A11-A21 : outward 
+A12-A20 : outward 
+A14-A17 : outward 
+A17-A19 : upward 
+Number of stackings = 17
+Number of adjacent stackings = 13
+Number of non adjacent stackings = 4
+Base-pairs ------------------------------------------------------
+A1-A29 : G-C Ww/Ww pairing antiparallel cis 128 
+A2-A28 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A27 : A-U Ww/Ww pairing antiparallel cis XX 
+A4-A26 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-A25 : U-G Ww/Wh pairing antiparallel cis one_hbond 
+A6-A7 : G-C O2'/Hh adjacent_5p pairing 
+A6-A24 : G-C Ww/Ww pairing antiparallel cis XIX 
+A7-A8 : C-U Ss/Hh adjacent_5p pairing parallel cis one_hbond 
+A8-A23 : U-A Ww/Ww pairing antiparallel cis XX 
+A9-A22 : U-G Ws/Ww pairing antiparallel cis XXVIII 
+A10-A21 : C-G Ww/Ww pairing antiparallel cis XIX 
+A11-A20 : A-U Ww/Ww pairing antiparallel cis XX 
+A12-A19 : A-U Ww/Ww pairing antiparallel cis XX 
+A13-A17 : C-G Ww/Ww pairing antiparallel cis XIX 
+A14-A16 : A-U Ss/O2P pairing 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : A C3p_endo anti
+A4 : G C3p_endo anti
+A5 : U C3p_endo anti
+A6 : G C2p_endo anti
+A7 : C C2p_endo anti
+A8 : U C3p_endo anti
+A9 : U C3p_endo anti
+A10 : C C3p_endo anti
+A11 : A C3p_endo anti
+A12 : A C3p_endo anti
+A13 : C C3p_endo anti
+A14 : A C3p_endo anti
+A15 : G C3p_exo syn
+A16 : U C2p_endo anti
+A17 : G C3p_exo syn
+A18 : C C2p_endo anti
+A19 : U C4p_exo anti
+A20 : U C3p_endo anti
+A21 : G C3p_endo anti
+A22 : G C3p_endo anti
+A23 : A C3p_endo anti
+A24 : C C3p_endo anti
+A25 : G C3p_endo anti
+A26 : C C3p_endo anti
+A27 : U C3p_endo anti
+A28 : C C3p_endo anti
+A29 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+A21-A22 : adjacent_5p upward 
+A22-A23 : adjacent_5p upward 
+A23-A24 : adjacent_5p upward 
+A25-A26 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+A27-A28 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A6-A25 : outward 
+A11-A21 : outward 
+A14-A17 : outward 
+A17-A19 : upward 
+Number of stackings = 19
+Number of adjacent stackings = 15
+Number of non adjacent stackings = 4
+Base-pairs ------------------------------------------------------
+A1-A29 : G-C Ww/Ww pairing antiparallel cis 
+A2-A28 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A27 : A-U Ww/Ww pairing antiparallel cis XX 
+A4-A26 : G-C Ww/Ww pairing antiparallel cis 
+A5-A25 : U-G Ww/Wh pairing antiparallel cis one_hbond 
+A7-A8 : C-U Ss/Hh adjacent_5p pairing parallel cis one_hbond 
+A9-A22 : U-G Ws/Ww pairing antiparallel cis XXVIII 
+A10-A21 : C-G Ww/Ww pairing antiparallel cis XIX 
+A11-A20 : A-U Ww/Ww pairing antiparallel cis XX 
+A12-A19 : A-U Ww/Ww pairing antiparallel cis XX 
+A13-A17 : C-G Ww/Ww pairing antiparallel cis XIX 
+A24-A26 : C-C O2P/Bh pairing 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : A C3p_endo anti
+A4 : G C3p_endo anti
+A5 : U C3p_endo anti
+A6 : G C2p_endo anti
+A7 : C C2p_endo syn
+A8 : U C3p_endo anti
+A9 : U C3p_endo anti
+A10 : C C3p_endo anti
+A11 : A C3p_endo anti
+A12 : A C3p_endo anti
+A13 : C C3p_endo anti
+A14 : A C3p_endo anti
+A15 : G C3p_exo syn
+A16 : U C2p_endo anti
+A17 : G C2p_endo anti
+A18 : C C2p_endo anti
+A19 : U C4p_exo anti
+A20 : U C3p_endo anti
+A21 : G C3p_endo anti
+A22 : G C3p_endo anti
+A23 : A C3p_endo anti
+A24 : C C3p_endo anti
+A25 : G C3p_endo anti
+A26 : C C3p_endo anti
+A27 : U C3p_endo anti
+A28 : C C3p_endo anti
+A29 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+A21-A22 : adjacent_5p upward 
+A22-A23 : adjacent_5p upward 
+A23-A24 : adjacent_5p upward 
+A25-A26 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A3-A28 : outward 
+A4-A27 : outward 
+A6-A25 : outward 
+A11-A21 : outward 
+A14-A16 : upward 
+A14-A17 : outward 
+A17-A19 : upward 
+Number of stackings = 20
+Number of adjacent stackings = 13
+Number of non adjacent stackings = 7
+Base-pairs ------------------------------------------------------
+A2-A28 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A27 : A-U Ww/Ww pairing antiparallel cis XX 
+A4-A26 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-A25 : U-G Ww/Wh pairing antiparallel cis one_hbond 
+A6-A24 : G-C Ww/Ww pairing antiparallel cis XIX 
+A8-A23 : U-A Ww/Ww pairing antiparallel cis XX 
+A9-A22 : U-G Ws/Ww pairing antiparallel cis XXVIII 
+A10-A21 : C-G Ww/Ww pairing antiparallel cis XIX 
+A11-A20 : A-U Ww/Ww pairing antiparallel cis XX 
+A12-A19 : A-U Ww/Ww pairing antiparallel cis XX 
+A13-A17 : C-G Ww/Ww pairing antiparallel cis XIX 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : A C3p_endo anti
+A4 : G C3p_endo anti
+A5 : U C3p_endo anti
+A6 : G C3p_exo anti
+A7 : C C3p_exo syn
+A8 : U C3p_endo anti
+A9 : U C3p_endo anti
+A10 : C C3p_endo anti
+A11 : A C3p_endo anti
+A12 : A C3p_endo anti
+A13 : C C3p_endo anti
+A14 : A C3p_endo anti
+A15 : G C3p_exo syn
+A16 : U C2p_endo anti
+A17 : G C3p_exo syn
+A18 : C C2p_endo anti
+A19 : U C4p_exo anti
+A20 : U C3p_endo anti
+A21 : G C3p_endo anti
+A22 : G C3p_endo anti
+A23 : A C3p_endo anti
+A24 : C C3p_endo anti
+A25 : G C3p_endo anti
+A26 : C C3p_endo anti
+A27 : U C3p_endo anti
+A28 : C C3p_endo anti
+A29 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+A21-A22 : adjacent_5p upward 
+A22-A23 : adjacent_5p upward 
+A23-A24 : adjacent_5p upward 
+A25-A26 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+A27-A28 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A6-A25 : outward 
+A11-A21 : outward 
+A14-A17 : outward 
+A17-A19 : upward 
+Number of stackings = 19
+Number of adjacent stackings = 15
+Number of non adjacent stackings = 4
+Base-pairs ------------------------------------------------------
+A1-A29 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A28 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A27 : A-U Ww/Ww pairing antiparallel cis XX 
+A4-A26 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-A25 : U-G Ws/Ww pairing antiparallel cis XXVIII 
+A6-A24 : G-C Ww/Ww pairing antiparallel cis XIX 
+A8-A23 : U-A Ww/Ww pairing antiparallel cis XX 
+A9-A22 : U-G Ws/Ww pairing antiparallel cis XXVIII 
+A10-A21 : C-G Ww/Ww pairing antiparallel cis 
+A11-A20 : A-U Ww/Ww pairing antiparallel cis XX 
+A12-A19 : A-U Ww/Ww pairing antiparallel cis XX 
+A13-A17 : C-G Ww/Ww pairing antiparallel cis XIX 
+A14-A18 : A-C O2'/Bh pairing 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : A C3p_endo anti
+A4 : G C3p_endo anti
+A5 : U C3p_endo anti
+A6 : G C2p_endo anti
+A7 : C C2p_endo anti
+A8 : U C3p_endo anti
+A9 : U C3p_endo anti
+A10 : C C3p_endo anti
+A11 : A C3p_endo anti
+A12 : A C4p_exo anti
+A13 : C C3p_endo anti
+A14 : A C3p_endo anti
+A15 : G C3p_exo syn
+A16 : U C3p_exo anti
+A17 : G C3p_exo syn
+A18 : C C2p_endo anti
+A19 : U C4p_exo anti
+A20 : U C3p_endo anti
+A21 : G C3p_endo anti
+A22 : G C3p_endo anti
+A23 : A C3p_endo anti
+A24 : C C3p_endo anti
+A25 : G C3p_endo anti
+A26 : C C3p_endo anti
+A27 : U C3p_endo anti
+A28 : C C3p_endo anti
+A29 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A21-A22 : adjacent_5p upward 
+A22-A23 : adjacent_5p upward 
+A23-A24 : adjacent_5p upward 
+A25-A26 : adjacent_5p upward 
+A27-A28 : adjacent_5p upward 
+A28-A29 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A6-A25 : outward 
+A11-A21 : outward 
+A14-A17 : outward 
+A17-A19 : upward 
+Number of stackings = 19
+Number of adjacent stackings = 15
+Number of non adjacent stackings = 4
+Base-pairs ------------------------------------------------------
+A1-A29 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A28 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A27 : A-U Ww/Ww pairing antiparallel cis XX 
+A4-A26 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-A25 : U-G Ww/Wh pairing antiparallel cis one_hbond 
+A6-A24 : G-C Ww/Ww pairing antiparallel cis XIX 
+A7-A9 : C-U Ws/Hh pairing parallel cis one_hbond 
+A8-A23 : U-A Ww/Ww pairing antiparallel cis XX 
+A9-A22 : U-G Ws/Ww pairing antiparallel cis XXVIII 
+A10-A21 : C-G Ww/Ww pairing antiparallel cis XIX 
+A11-A20 : A-U Ww/Ww pairing antiparallel cis XX 
+A12-A19 : A-U Ww/Ww pairing antiparallel cis XX 
+A13-A17 : C-G Ww/Ww pairing antiparallel cis XIX 
+A14-A18 : A-C O2'/Bh pairing 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : A C3p_endo anti
+A4 : G C3p_endo anti
+A5 : U C3p_endo anti
+A6 : G C2p_endo anti
+A7 : C C2p_endo anti
+A8 : U C3p_endo anti
+A9 : U C3p_endo anti
+A10 : C C3p_endo anti
+A11 : A C3p_endo anti
+A12 : A C3p_endo anti
+A13 : C C3p_endo anti
+A14 : A C3p_endo anti
+A15 : G C3p_exo syn
+A16 : U C2p_endo anti
+A17 : G C3p_exo anti
+A18 : C C2p_endo anti
+A19 : U C3p_endo anti
+A20 : U C3p_endo anti
+A21 : G C3p_endo anti
+A22 : G C3p_endo anti
+A23 : A C3p_endo anti
+A24 : C C3p_endo anti
+A25 : G C3p_endo anti
+A26 : C C3p_endo anti
+A27 : U C3p_endo anti
+A28 : C C3p_endo anti
+A29 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A21-A22 : adjacent_5p upward 
+A22-A23 : adjacent_5p upward 
+A23-A24 : adjacent_5p upward 
+A25-A26 : adjacent_5p upward 
+A27-A28 : adjacent_5p upward 
+A28-A29 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A6-A25 : outward 
+A11-A21 : outward 
+A14-A17 : outward 
+A17-A19 : upward 
+Number of stackings = 19
+Number of adjacent stackings = 15
+Number of non adjacent stackings = 4
+Base-pairs ------------------------------------------------------
+A1-A29 : G-C Ww/Ww pairing antiparallel cis 128 
+A2-A28 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A27 : A-U Ww/Ww pairing antiparallel cis XX 
+A4-A26 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-A25 : U-G Ws/Ww pairing antiparallel cis XXVIII 
+A6-A24 : G-C Ww/Ww pairing antiparallel cis XIX 
+A8-A23 : U-A Ww/Ww pairing antiparallel cis XX 
+A9-A22 : U-G Ws/Ww pairing antiparallel cis XXVIII 
+A10-A21 : C-G Ww/Ww pairing antiparallel cis XIX 
+A11-A20 : A-U Ww/Ww pairing antiparallel cis XX 
+A12-A19 : A-U Ww/Ww pairing antiparallel cis XX 
+A13-A17 : C-G Ww/Ww pairing antiparallel cis XIX 
+A14-A16 : A-U O2'/Ww Ss/O2' pairing 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : A C3p_endo anti
+A4 : G C3p_endo anti
+A5 : U C3p_endo anti
+A6 : G C2p_endo anti
+A7 : C C2p_endo anti
+A8 : U C3p_endo anti
+A9 : U C3p_endo anti
+A10 : C C4p_exo anti
+A11 : A C3p_endo anti
+A12 : A C4p_exo anti
+A13 : C C3p_endo anti
+A14 : A C3p_endo anti
+A15 : G C3p_exo syn
+A16 : U C3p_exo anti
+A17 : G C2p_endo anti
+A18 : C C2p_endo anti
+A19 : U C3p_endo anti
+A20 : U C3p_endo anti
+A21 : G C3p_endo anti
+A22 : G C3p_endo anti
+A23 : A C3p_endo anti
+A24 : C C3p_endo anti
+A25 : G C3p_endo anti
+A26 : C C3p_endo anti
+A27 : U C3p_endo anti
+A28 : C C3p_endo anti
+A29 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A21-A22 : adjacent_5p upward 
+A22-A23 : adjacent_5p upward 
+A23-A24 : adjacent_5p upward 
+A25-A26 : adjacent_5p upward 
+A27-A28 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A6-A25 : outward 
+A11-A21 : outward 
+A12-A20 : outward 
+A14-A17 : outward 
+A17-A19 : upward 
+Number of stackings = 19
+Number of adjacent stackings = 14
+Number of non adjacent stackings = 5
+Base-pairs ------------------------------------------------------
+A1-A29 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A28 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A27 : A-U Ww/Ww pairing antiparallel cis XX 
+A4-A26 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-A25 : U-G Ww/Wh pairing antiparallel cis one_hbond 
+A6-A24 : G-C Ww/Ww pairing antiparallel cis XIX 
+A9-A22 : U-G Ws/Ww pairing antiparallel cis XXVIII 
+A11-A20 : A-U Ww/Ww pairing antiparallel cis XX 
+A12-A19 : A-U Ww/Ww pairing antiparallel cis XX 
+A13-A17 : C-G Ww/Ww pairing antiparallel cis XIX 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : A C3p_endo anti
+A4 : G C3p_endo anti
+A5 : U C3p_endo anti
+A6 : G C2p_endo anti
+A7 : C C2p_endo anti
+A8 : U C3p_endo anti
+A9 : U C3p_endo anti
+A10 : C C3p_endo anti
+A11 : A C3p_endo anti
+A12 : A C3p_endo anti
+A13 : C C3p_endo anti
+A14 : A C3p_endo anti
+A15 : G C2p_endo syn
+A16 : U C2p_endo anti
+A17 : G C3p_exo syn
+A18 : C C2p_endo anti
+A19 : U C4p_exo anti
+A20 : U C3p_endo anti
+A21 : G C3p_endo anti
+A22 : G C3p_endo anti
+A23 : A C4p_exo anti
+A24 : C C3p_endo anti
+A25 : G C3p_endo anti
+A26 : C C3p_endo anti
+A27 : U C3p_endo anti
+A28 : C C3p_endo anti
+A29 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+A22-A23 : adjacent_5p upward 
+A23-A24 : adjacent_5p upward 
+A25-A26 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+A28-A29 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A6-A25 : outward 
+A11-A21 : outward 
+A14-A17 : outward 
+A17-A19 : upward 
+Number of stackings = 20
+Number of adjacent stackings = 16
+Number of non adjacent stackings = 4
+Base-pairs ------------------------------------------------------
+A1-A29 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A28 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A27 : A-U Ww/Ww pairing antiparallel cis XX 
+A4-A26 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-A25 : U-G Ws/Wh pairing antiparallel cis one_hbond 
+A8-A23 : U-A Ww/Ww pairing antiparallel cis XX 
+A9-A22 : U-G Ws/Wh pairing antiparallel cis one_hbond 
+A10-A21 : C-G Ww/Ww pairing antiparallel cis XIX 
+A11-A20 : A-U Ww/Ww pairing antiparallel cis XX 
+A13-A15 : C-G O2P/Ww O2P/Bs pairing 
+A13-A17 : C-G Ww/Ww pairing antiparallel cis one_hbond 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : A C3p_endo anti
+A4 : G C3p_endo anti
+A5 : U C4p_exo anti
+A6 : G C2p_endo syn
+A7 : C C2p_endo anti
+A8 : U C4p_exo anti
+A9 : U C3p_endo anti
+A10 : C C3p_endo anti
+A11 : A C3p_endo anti
+A12 : A C3p_endo anti
+A13 : C C3p_endo anti
+A14 : A C3p_endo anti
+A15 : G C3p_exo syn
+A16 : U C2p_endo anti
+A17 : G C2p_endo anti
+A18 : C C2p_endo anti
+A19 : U C4p_exo anti
+A20 : U C3p_endo anti
+A21 : G C3p_endo anti
+A22 : G C3p_endo anti
+A23 : A C3p_endo anti
+A24 : C C3p_endo anti
+A25 : G C3p_endo anti
+A26 : C C3p_endo anti
+A27 : U C3p_endo anti
+A28 : C C3p_endo anti
+A29 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A21-A22 : adjacent_5p upward 
+A22-A23 : adjacent_5p upward 
+A23-A24 : adjacent_5p upward 
+A25-A26 : adjacent_5p upward 
+A27-A28 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A2-A29 : outward 
+A3-A28 : outward 
+A6-A25 : outward 
+A10-A22 : outward 
+A11-A21 : outward 
+A14-A17 : outward 
+A17-A19 : upward 
+Number of stackings = 21
+Number of adjacent stackings = 14
+Number of non adjacent stackings = 7
+Base-pairs ------------------------------------------------------
+A1-A29 : G-C Ww/Ww pairing antiparallel cis 
+A2-A28 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A27 : A-U Ww/Ww pairing antiparallel cis XX 
+A4-A26 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-A25 : U-G Ww/Wh pairing antiparallel cis one_hbond 
+A6-A24 : G-C Ww/Ww pairing antiparallel cis XIX 
+A7-A8 : C-U Ss/Hh adjacent_5p pairing parallel cis one_hbond 
+A8-A23 : U-A Ww/Ww pairing antiparallel cis XX 
+A9-A22 : U-G Ws/Ww pairing antiparallel cis XXVIII 
+A10-A21 : C-G Ww/Ww pairing antiparallel cis XIX 
+A11-A20 : A-U Ww/Ww pairing antiparallel cis XX 
+A12-A19 : A-U Ww/Ww pairing antiparallel cis XX 
+A13-A17 : C-G Ww/Ww pairing antiparallel cis XIX 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : A C3p_endo anti
+A4 : G C3p_endo anti
+A5 : U C3p_endo anti
+A6 : G C3p_exo anti
+A7 : C C2p_endo anti
+A8 : U C3p_endo anti
+A9 : U C3p_endo anti
+A10 : C C3p_endo anti
+A11 : A C3p_endo anti
+A12 : A C3p_endo anti
+A13 : C C3p_endo anti
+A14 : A C3p_endo anti
+A15 : G C3p_exo syn
+A16 : U C2p_endo anti
+A17 : G C2p_endo anti
+A18 : C C2p_endo anti
+A19 : U C3p_endo anti
+A20 : U C3p_endo anti
+A21 : G C3p_endo anti
+A22 : G C3p_endo anti
+A23 : A C3p_endo anti
+A24 : C C3p_endo anti
+A25 : G C3p_endo anti
+A26 : C C3p_endo anti
+A27 : U C3p_endo anti
+A28 : C C3p_endo anti
+A29 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+A21-A22 : adjacent_5p upward 
+A22-A23 : adjacent_5p upward 
+A23-A24 : adjacent_5p upward 
+A25-A26 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+A27-A28 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A6-A25 : outward 
+A11-A21 : outward 
+A14-A17 : outward 
+A17-A19 : upward 
+Number of stackings = 21
+Number of adjacent stackings = 17
+Number of non adjacent stackings = 4
+Base-pairs ------------------------------------------------------
+A2-A28 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A27 : A-U Ww/Ww pairing antiparallel cis XX 
+A4-A26 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-A25 : U-G Ws/Ww pairing antiparallel cis XXVIII 
+A6-A24 : G-C Ww/Ww pairing antiparallel cis XIX 
+A8-A23 : U-A Ww/Ww pairing antiparallel cis one_hbond 
+A9-A22 : U-G Ws/Ww pairing antiparallel cis XXVIII 
+A10-A21 : C-G Ww/Ww pairing antiparallel cis XIX 
+A11-A20 : A-U Ww/Ww pairing antiparallel cis XX 
+A12-A19 : A-U Ww/Ww pairing antiparallel cis XX 
+A13-A17 : C-G Ww/Ww pairing antiparallel cis XIX 
+A14-A16 : A-U Ss/O2P pairing 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : A C3p_endo anti
+A4 : G C3p_endo anti
+A5 : U C3p_endo anti
+A6 : G C2p_endo anti
+A7 : C C2p_endo anti
+A8 : U C3p_endo anti
+A9 : U C3p_endo anti
+A10 : C C3p_endo anti
+A11 : A C3p_endo anti
+A12 : A C3p_endo anti
+A13 : C C3p_endo anti
+A14 : A C3p_endo anti
+A15 : G C3p_exo syn
+A16 : U C2p_endo anti
+A17 : G C2p_endo syn
+A18 : C C2p_endo anti
+A19 : U C4p_exo anti
+A20 : U C3p_endo anti
+A21 : G C3p_endo anti
+A22 : G C3p_endo anti
+A23 : A C3p_endo anti
+A24 : C C3p_endo anti
+A25 : G C3p_endo anti
+A26 : C C3p_endo anti
+A27 : U C3p_endo anti
+A28 : C C3p_endo anti
+A29 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+A22-A23 : adjacent_5p upward 
+A23-A24 : adjacent_5p upward 
+A24-A25 : adjacent_5p upward 
+A25-A26 : adjacent_5p upward 
+A27-A28 : adjacent_5p upward 
+A28-A29 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A10-A22 : outward 
+A11-A21 : outward 
+A14-A17 : outward 
+A17-A19 : upward 
+Number of stackings = 19
+Number of adjacent stackings = 15
+Number of non adjacent stackings = 4
+Base-pairs ------------------------------------------------------
+A1-A29 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A28 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A27 : A-U Ww/Ww pairing antiparallel cis XX 
+A4-A26 : G-C Ww/Ww pairing antiparallel cis 
+A5-A25 : U-G Ww/Wh pairing antiparallel cis one_hbond 
+A6-A7 : G-C O2'/Hh adjacent_5p pairing 
+A6-A24 : G-C Ww/Ww pairing antiparallel cis XIX 
+A8-A23 : U-A Ww/Ww pairing antiparallel cis XX 
+A9-A22 : U-G Ws/Ww pairing antiparallel cis XXVIII 
+A10-A21 : C-G Wh/Wh pairing antiparallel cis one_hbond 
+A11-A20 : A-U Ww/Ww pairing antiparallel cis XX 
+A12-A19 : A-U Ww/Ww pairing antiparallel cis XX 
+A13-A17 : C-G Ww/Ww pairing antiparallel cis XIX 
+A16-A18 : U-C O2P/Bh pairing 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : A C3p_endo anti
+A4 : G C3p_endo anti
+A5 : U C3p_endo anti
+A6 : G C2p_endo anti
+A7 : C C2p_endo anti
+A8 : U C3p_endo anti
+A9 : U C3p_endo anti
+A10 : C C3p_endo anti
+A11 : A C3p_endo anti
+A12 : A C3p_endo anti
+A13 : C C3p_endo anti
+A14 : A C3p_endo anti
+A15 : G C2p_endo syn
+A16 : U C2p_endo anti
+A17 : G C2p_endo syn
+A18 : C C2p_endo anti
+A19 : U C3p_endo anti
+A20 : U C3p_endo anti
+A21 : G C3p_endo anti
+A22 : G C3p_endo anti
+A23 : A C3p_endo anti
+A24 : C C3p_endo anti
+A25 : G C3p_endo anti
+A26 : C C3p_endo anti
+A27 : U C3p_endo anti
+A28 : C C3p_endo anti
+A29 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+A21-A22 : adjacent_5p upward 
+A22-A23 : adjacent_5p upward 
+A23-A24 : adjacent_5p upward 
+A25-A26 : adjacent_5p upward 
+A27-A28 : adjacent_5p upward 
+A28-A29 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A6-A25 : outward 
+A10-A22 : outward 
+A11-A21 : outward 
+A12-A20 : outward 
+A14-A17 : outward 
+A17-A19 : upward 
+Number of stackings = 22
+Number of adjacent stackings = 16
+Number of non adjacent stackings = 6
+Base-pairs ------------------------------------------------------
+A1-A29 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A28 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A27 : A-U Ww/Ww pairing antiparallel cis XX 
+A4-A26 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-A25 : U-G Ww/Wh pairing antiparallel cis one_hbond 
+A6-A24 : G-C Ww/Ww pairing antiparallel cis 
+A8-A23 : U-A Ww/Ww pairing antiparallel cis XX 
+A9-A22 : U-G Ws/Ww pairing antiparallel cis XXVIII 
+A10-A21 : C-G Ww/Ww pairing antiparallel cis XIX 
+A11-A20 : A-U Ww/Ww pairing antiparallel cis XX 
+A12-A19 : A-U Ww/Ww pairing antiparallel cis XX 
+A13-A17 : C-G Ww/Ww pairing antiparallel cis XIX 
+A14-A15 : A-G O2P/Bs adjacent_5p pairing 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : A C3p_endo anti
+A4 : G C3p_endo anti
+A5 : U C3p_endo anti
+A6 : G C2p_endo anti
+A7 : C C2p_endo anti
+A8 : U C3p_endo anti
+A9 : U C3p_endo anti
+A10 : C C3p_endo anti
+A11 : A C3p_endo anti
+A12 : A C3p_endo anti
+A13 : C C3p_endo anti
+A14 : A C3p_endo anti
+A15 : G C3p_exo syn
+A16 : U C2p_endo anti
+A17 : G C3p_exo syn
+A18 : C C2p_endo anti
+A19 : U C4p_exo anti
+A20 : U C3p_endo anti
+A21 : G C3p_endo anti
+A22 : G C3p_endo anti
+A23 : A C3p_endo anti
+A24 : C C3p_endo anti
+A25 : G C3p_endo anti
+A26 : C C3p_endo anti
+A27 : U C3p_endo anti
+A28 : C C3p_endo anti
+A29 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+A21-A22 : adjacent_5p upward 
+A22-A23 : adjacent_5p upward 
+A23-A24 : adjacent_5p upward 
+A25-A26 : adjacent_5p upward 
+A27-A28 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A2-A29 : outward 
+A4-A27 : outward 
+A6-A25 : outward 
+A14-A17 : outward 
+A17-A19 : upward 
+Number of stackings = 18
+Number of adjacent stackings = 13
+Number of non adjacent stackings = 5
+Base-pairs ------------------------------------------------------
+A1-A29 : G-C Ww/Ww pairing antiparallel cis 
+A2-A28 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A27 : A-U Ww/Ww pairing antiparallel cis XX 
+A4-A26 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-A25 : U-G Ww/Wh pairing antiparallel cis one_hbond 
+A6-A24 : G-C Ww/Ww pairing antiparallel cis XIX 
+A7-A8 : C-U Ss/Hh adjacent_5p pairing parallel cis one_hbond 
+A8-A23 : U-A Ww/Ww pairing antiparallel cis XX 
+A9-A22 : U-G Ws/Ww pairing antiparallel cis XXVIII 
+A11-A20 : A-U Ww/Ww pairing antiparallel cis XX 
+A12-A19 : A-U Ww/Ww pairing antiparallel cis XX 
+A13-A17 : C-G Ww/Ww pairing antiparallel cis XIX 
diff --git a/MCdata/1arj_MC b/MCdata/1arj_MC
new file mode 100644
index 0000000000000000000000000000000000000000..9073104b196da9364b70a6696f2c5fb1ce9cc855
--- /dev/null
+++ b/MCdata/1arj_MC
@@ -0,0 +1,1319 @@
+Residue conformations -------------------------------------------
+N17 : G C2p_exo anti
+N18 : G C1p_exo anti
+N19 : C C3p_endo anti
+N20 : A C2p_exo anti
+N21 : G C3p_endo anti
+N22 : A C2p_exo anti
+N23 : U C3p_endo anti
+N24 : C C2p_exo anti
+N25 : U C3p_endo anti
+N26 : G C4p_exo anti
+N27 : A C4p_exo anti
+N28 : G C3p_endo anti
+N29 : C C3p_endo anti
+N30 : C C2p_exo anti
+N31 : U C3p_endo anti
+N32 : G C2p_exo anti
+N33 : G C2p_exo anti
+N34 : G C2p_exo syn
+N35 : A C2p_exo anti
+N36 : G C3p_endo anti
+N37 : C C2p_exo anti
+N38 : U C3p_endo anti
+N39 : C C3p_endo anti
+N40 : U C2p_exo anti
+N41 : C C3p_endo anti
+N42 : U C3p_endo anti
+N43 : G C3p_endo anti
+N44 : C C3p_endo anti
+N45 : C C3p_endo anti
+N1 : ARG
+Adjacent stackings ----------------------------------------------
+N18-N19 : adjacent_5p outward pairing 
+N19-N20 : adjacent_5p upward 
+N20-N21 : adjacent_5p upward 
+N21-N22 : adjacent_5p upward 
+N26-N27 : adjacent_5p upward 
+N27-N28 : adjacent_5p upward 
+N28-N29 : adjacent_5p upward 
+N36-N37 : adjacent_5p upward 
+N37-N38 : adjacent_5p upward 
+N38-N39 : adjacent_5p upward 
+N39-N40 : adjacent_5p upward 
+N40-N41 : adjacent_5p upward 
+N41-N42 : adjacent_5p upward 
+N43-N44 : adjacent_5p inward 
+Non-Adjacent stackings ------------------------------------------
+N18-N45 : inward 
+Number of stackings = 15
+Number of adjacent stackings = 14
+Number of non adjacent stackings = 1
+Base-pairs ------------------------------------------------------
+N18-N19 : G-C O2'/Hh adjacent_5p outward pairing 
+N18-N43 : G-G Ws/Wh pairing parallel trans one_hbond 
+N18-N44 : G-C Ww/Ws pairing antiparallel cis one_hbond 130 
+N19-N43 : C-G Ww/Ww pairing antiparallel cis XIX 
+N20-N42 : A-U Ww/Ww pairing antiparallel cis XX 
+N21-N41 : G-C Ww/Ww pairing antiparallel cis XIX 
+N22-N40 : A-U Ww/Ww pairing antiparallel cis XX 
+N26-N39 : G-C Ww/Ww pairing antiparallel cis XIX 
+N27-N38 : A-U Ww/Ww pairing antiparallel cis XX 
+N28-N37 : G-C Ww/Ww pairing antiparallel cis XIX 
+N29-N36 : C-G Ww/Ww pairing antiparallel cis XIX 
+N30-N34 : C-G Ss/Ws pairing antiparallel cis one_hbond 127 
+N33-N34 : G-G O2P/Bs adjacent_5p pairing 
+N34-N35 : G-A O2'/Hh adjacent_5p pairing 
+N43-N45 : G-C Hh/O2P pairing 
+N44-N45 : C-C Ss/Hh adjacent_5p pairing parallel cis one_hbond 
+Residue conformations -------------------------------------------
+N17 : G C3p_endo anti
+N18 : G C2p_exo anti
+N19 : C C3p_endo anti
+N20 : A C2p_exo anti
+N21 : G C3p_endo anti
+N22 : A C2p_exo anti
+N23 : U C3p_endo anti
+N24 : C C2p_exo anti
+N25 : U C1p_exo anti
+N26 : G C4p_exo anti
+N27 : A C3p_endo anti
+N28 : G C3p_endo anti
+N29 : C C3p_endo anti
+N30 : C C2p_exo anti
+N31 : U C4p_endo anti
+N32 : G C3p_endo anti
+N33 : G C2p_endo anti
+N34 : G C2p_exo anti
+N35 : A C2p_endo anti
+N36 : G C3p_endo anti
+N37 : C C2p_exo anti
+N38 : U C3p_endo anti
+N39 : C C3p_endo anti
+N40 : U C3p_endo anti
+N41 : C C3p_endo anti
+N42 : U C3p_endo anti
+N43 : G C4p_exo anti
+N44 : C C2p_exo anti
+N45 : C C3p_endo anti
+N1 : ARG
+Adjacent stackings ----------------------------------------------
+N17-N18 : adjacent_5p upward 
+N18-N19 : adjacent_5p upward 
+N19-N20 : adjacent_5p upward 
+N20-N21 : adjacent_5p upward 
+N21-N22 : adjacent_5p upward 
+N26-N27 : adjacent_5p upward 
+N27-N28 : adjacent_5p upward 
+N28-N29 : adjacent_5p upward 
+N29-N30 : adjacent_5p upward pairing 
+N38-N39 : adjacent_5p upward 
+N40-N41 : adjacent_5p upward 
+N41-N42 : adjacent_5p upward 
+N42-N43 : adjacent_5p upward 
+N43-N44 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+N20-N43 : outward 
+Number of stackings = 15
+Number of adjacent stackings = 14
+Number of non adjacent stackings = 1
+Base-pairs ------------------------------------------------------
+N17-N44 : G-C Bh/Wh pairing antiparallel cis one_hbond 
+N17-N45 : G-C Ww/Ww pairing antiparallel cis 
+N19-N43 : C-G Ww/Ww pairing antiparallel cis XIX 
+N20-N42 : A-U Ww/Ww pairing antiparallel cis XX 
+N21-N41 : G-C Ww/Ww pairing antiparallel cis XIX 
+N26-N39 : G-C Ww/Ww pairing antiparallel cis XIX 
+N27-N38 : A-U Ww/Ww pairing antiparallel cis XX 
+N28-N37 : G-C Ww/Ww pairing antiparallel cis XIX 
+N29-N30 : C-C O2P/Bh adjacent_5p upward pairing 
+N29-N36 : C-G Wh/Wh pairing antiparallel cis one_hbond 
+N33-N34 : G-G O2P/Bs adjacent_5p pairing 
+Residue conformations -------------------------------------------
+N17 : G C3p_endo anti
+N18 : G C3p_endo anti
+N19 : C C2p_exo anti
+N20 : A C3p_endo anti
+N21 : G C3p_endo anti
+N22 : A C2p_exo anti
+N23 : U C3p_endo anti
+N24 : C C3p_endo anti
+N25 : U C2p_endo syn
+N26 : G C3p_endo anti
+N27 : A C4p_exo anti
+N28 : G C4p_exo anti
+N29 : C C3p_endo anti
+N30 : C C2p_exo anti
+N31 : U C2p_exo anti
+N32 : G C3p_exo anti
+N33 : G C2p_exo anti
+N34 : G C3p_endo syn
+N35 : A C1p_endo anti
+N36 : G C2p_exo anti
+N37 : C C2p_exo anti
+N38 : U C3p_endo anti
+N39 : C C2p_exo anti
+N40 : U C3p_endo anti
+N41 : C C4p_exo anti
+N42 : U C3p_endo anti
+N43 : G C3p_endo anti
+N44 : C C4p_exo anti
+N45 : C C2p_exo anti
+N1 : ARG
+Adjacent stackings ----------------------------------------------
+N18-N19 : adjacent_5p upward 
+N19-N20 : adjacent_5p upward 
+N20-N21 : adjacent_5p upward 
+N21-N22 : adjacent_5p upward 
+N26-N27 : adjacent_5p upward 
+N27-N28 : adjacent_5p upward 
+N28-N29 : adjacent_5p upward 
+N29-N30 : adjacent_5p upward 
+N36-N37 : adjacent_5p upward 
+N38-N39 : adjacent_5p upward 
+N39-N40 : adjacent_5p upward 
+N40-N41 : adjacent_5p upward 
+N41-N42 : adjacent_5p upward 
+N43-N44 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+N20-N43 : outward 
+Number of stackings = 15
+Number of adjacent stackings = 14
+Number of non adjacent stackings = 1
+Base-pairs ------------------------------------------------------
+N17-N45 : G-C Ww/Ww pairing antiparallel cis XIX 
+N18-N44 : G-C Ww/Ww pairing antiparallel cis XIX 
+N19-N43 : C-G Ww/Ww pairing antiparallel cis XIX 
+N20-N42 : A-U Ww/Ww pairing antiparallel cis XX 
+N21-N41 : G-C Ww/Ww pairing antiparallel cis XIX 
+N22-N26 : A-G Wh/Hw pairing parallel cis one_hbond 
+N22-N40 : A-U Ww/Ww pairing antiparallel cis one_hbond 
+N26-N39 : G-C Ww/Ww pairing antiparallel cis XIX 
+N27-N38 : A-U Ww/Ww pairing antiparallel cis XX 
+N28-N37 : G-C Ww/Ww pairing antiparallel cis 
+N29-N36 : C-G Ww/Ww pairing antiparallel cis 
+N30-N34 : C-G Ss/Ws O2'/Bs pairing antiparallel cis one_hbond 127 
+N34-N35 : G-A O2'/Hh adjacent_5p pairing 
+N35-N36 : A-G Ww/O2' adjacent_5p pairing 
+Residue conformations -------------------------------------------
+N17 : G C3p_endo anti
+N18 : G C2p_exo anti
+N19 : C C2p_exo anti
+N20 : A C2p_exo anti
+N21 : G C2p_exo anti
+N22 : A C3p_endo anti
+N23 : U C2p_exo anti
+N24 : C C3p_endo anti
+N25 : U C1p_exo anti
+N26 : G C4p_exo anti
+N27 : A C4p_exo anti
+N28 : G C4p_exo anti
+N29 : C C2p_exo anti
+N30 : C C3p_endo anti
+N31 : U C3p_exo anti
+N32 : G O4p_endo anti
+N33 : G C2p_exo anti
+N34 : G C3p_endo syn
+N35 : A C3p_endo anti
+N36 : G C2p_exo anti
+N37 : C C2p_exo anti
+N38 : U C3p_endo anti
+N39 : C C2p_exo anti
+N40 : U C3p_endo anti
+N41 : C C4p_exo anti
+N42 : U C2p_exo anti
+N43 : G C2p_exo anti
+N44 : C C3p_endo anti
+N45 : C C3p_endo anti
+N1 : ARG
+Adjacent stackings ----------------------------------------------
+N18-N19 : adjacent_5p upward 
+N20-N21 : adjacent_5p upward 
+N21-N22 : adjacent_5p upward 
+N26-N27 : adjacent_5p upward 
+N27-N28 : adjacent_5p upward 
+N28-N29 : adjacent_5p upward 
+N29-N30 : adjacent_5p upward 
+N37-N38 : adjacent_5p upward 
+N38-N39 : adjacent_5p upward 
+N39-N40 : adjacent_5p upward 
+N40-N41 : adjacent_5p upward 
+N42-N43 : adjacent_5p upward 
+N43-N44 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+N20-N43 : outward 
+Number of stackings = 14
+Number of adjacent stackings = 13
+Number of non adjacent stackings = 1
+Base-pairs ------------------------------------------------------
+N17-N45 : G-C Ww/Ww pairing antiparallel cis XIX 
+N18-N44 : G-C Ww/Ww pairing antiparallel cis XIX 
+N19-N43 : C-G Ww/Ww pairing antiparallel cis XIX 
+N21-N41 : G-C Ww/Ww pairing antiparallel cis XIX 
+N22-N40 : A-U Ww/Ww pairing antiparallel cis one_hbond 
+N26-N39 : G-C Ww/Ww pairing antiparallel cis XIX 
+N27-N38 : A-U Ww/Ww pairing antiparallel cis XX 
+N28-N37 : G-C Ww/Ww pairing antiparallel cis XIX 
+N29-N36 : C-G Ww/Ww pairing antiparallel cis XIX 
+N33-N34 : G-G O2'/Ss adjacent_5p pairing 
+Residue conformations -------------------------------------------
+N17 : G C3p_endo anti
+N18 : G C2p_exo anti
+N19 : C C2p_exo anti
+N20 : A C3p_endo anti
+N21 : G C4p_exo anti
+N22 : A C2p_exo anti
+N23 : U C2p_exo anti
+N24 : C C2p_exo anti
+N25 : U C2p_exo syn
+N26 : G C3p_endo anti
+N27 : A C2p_exo anti
+N28 : G C4p_exo anti
+N29 : C C3p_endo anti
+N30 : C C3p_endo anti
+N31 : U C3p_endo anti
+N32 : G C3p_endo anti
+N33 : G C3p_exo anti
+N34 : G C2p_exo syn
+N35 : A C3p_exo anti
+N36 : G C3p_endo anti
+N37 : C C2p_exo anti
+N38 : U C3p_endo anti
+N39 : C C3p_endo anti
+N40 : U C3p_endo anti
+N41 : C C4p_exo anti
+N42 : U C2p_exo anti
+N43 : G C2p_exo anti
+N44 : C C3p_endo anti
+N45 : C C3p_endo anti
+N1 : ARG
+Adjacent stackings ----------------------------------------------
+N17-N18 : adjacent_5p upward 
+N18-N19 : adjacent_5p upward 
+N19-N20 : adjacent_5p upward 
+N20-N21 : adjacent_5p upward 
+N21-N22 : adjacent_5p upward 
+N26-N27 : adjacent_5p upward 
+N27-N28 : adjacent_5p upward 
+N28-N29 : adjacent_5p upward 
+N38-N39 : adjacent_5p upward 
+N39-N40 : adjacent_5p upward 
+N40-N41 : adjacent_5p upward 
+N41-N42 : adjacent_5p upward 
+N43-N44 : adjacent_5p upward 
+N44-N45 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+N18-N45 : outward 
+N20-N43 : outward 
+Number of stackings = 16
+Number of adjacent stackings = 14
+Number of non adjacent stackings = 2
+Base-pairs ------------------------------------------------------
+N17-N45 : G-C Ww/Ww pairing antiparallel cis XIX 
+N18-N44 : G-C Ww/Ww pairing antiparallel cis XIX 
+N19-N43 : C-G Ww/Ww pairing antiparallel cis XIX 
+N20-N42 : A-U Ww/Ww pairing antiparallel cis XX 
+N21-N41 : G-C Ww/Ww pairing antiparallel cis XIX 
+N22-N25 : A-U Ss/Hh pairing antiparallel trans one_hbond 
+N22-N26 : A-G Wh/Hw pairing parallel cis one_hbond 
+N27-N38 : A-U Ww/Ww pairing antiparallel cis XX 
+N28-N37 : G-C Ww/Ww pairing antiparallel cis XIX 
+N29-N36 : C-G Ww/Ww pairing antiparallel cis 
+N32-N33 : G-G O2'/Hh adjacent_5p pairing 
+N34-N35 : G-A O2'/C8 adjacent_5p pairing 
+Residue conformations -------------------------------------------
+N17 : G C2p_exo syn
+N18 : G C1p_exo anti
+N19 : C C2p_exo anti
+N20 : A C3p_endo anti
+N21 : G C3p_endo anti
+N22 : A C2p_exo anti
+N23 : U C3p_endo anti
+N24 : C C2p_exo anti
+N25 : U C3p_endo syn
+N26 : G C3p_endo anti
+N27 : A C2p_exo anti
+N28 : G C4p_exo anti
+N29 : C C2p_exo anti
+N30 : C C3p_endo anti
+N31 : U C2p_endo anti
+N32 : G C3p_exo anti
+N33 : G C2p_endo anti
+N34 : G C2p_exo anti
+N35 : A C2p_exo anti
+N36 : G C2p_exo anti
+N37 : C C2p_exo anti
+N38 : U C3p_endo anti
+N39 : C C3p_endo anti
+N40 : U C3p_endo anti
+N41 : C C4p_exo anti
+N42 : U C2p_exo anti
+N43 : G C3p_endo anti
+N44 : C C1p_endo anti
+N45 : C O4p_endo anti
+N1 : ARG
+Adjacent stackings ----------------------------------------------
+N17-N18 : adjacent_5p downward 
+N18-N19 : adjacent_5p outward pairing 
+N19-N20 : adjacent_5p upward 
+N20-N21 : adjacent_5p upward 
+N21-N22 : adjacent_5p upward 
+N26-N27 : adjacent_5p upward 
+N27-N28 : adjacent_5p upward 
+N28-N29 : adjacent_5p upward 
+N29-N30 : adjacent_5p upward 
+N38-N39 : adjacent_5p upward 
+N39-N40 : adjacent_5p upward 
+N40-N41 : adjacent_5p upward 
+N41-N42 : adjacent_5p upward 
+N42-N43 : adjacent_5p upward 
+N43-N44 : adjacent_5p inward 
+Non-Adjacent stackings ------------------------------------------
+N34-N36 : upward 
+Number of stackings = 16
+Number of adjacent stackings = 15
+Number of non adjacent stackings = 1
+Base-pairs ------------------------------------------------------
+N18-N19 : G-C O2'/Hh adjacent_5p outward pairing 
+N18-N44 : G-C Ww/Ww pairing antiparallel cis 
+N18-N45 : G-C Bs/O2' pairing 
+N19-N43 : C-G Ww/Ww pairing antiparallel cis XIX 
+N20-N42 : A-U Ww/Ww pairing antiparallel cis one_hbond 
+N21-N41 : G-C Ww/Ww pairing antiparallel cis 
+N22-N40 : A-U Ww/Ww pairing antiparallel cis one_hbond 
+N26-N39 : G-C Ww/Ws pairing antiparallel cis one_hbond 130 
+N27-N38 : A-U Ww/Ww pairing antiparallel cis XX 
+N28-N37 : G-C Ww/Ww pairing antiparallel cis XIX 
+N29-N36 : C-G Ww/Ww pairing antiparallel cis 
+N30-N34 : C-G Bs/Ww O2'/Bs pairing antiparallel cis one_hbond 127 
+N34-N35 : G-A O2'/Hh adjacent_5p pairing 
+N35-N36 : A-G Ww/O2' adjacent_5p pairing 
+N43-N45 : G-C Hh/O2P pairing 
+N44-N45 : C-C Ss/Hh adjacent_5p pairing parallel cis one_hbond 
+Residue conformations -------------------------------------------
+N17 : G C3p_endo anti
+N18 : G C3p_endo anti
+N19 : C C2p_exo anti
+N20 : A C3p_endo anti
+N21 : G C2p_exo anti
+N22 : A C2p_exo anti
+N23 : U C2p_exo anti
+N24 : C C2p_exo anti
+N25 : U C1p_exo syn
+N26 : G C3p_endo anti
+N27 : A C2p_exo anti
+N28 : G C4p_exo anti
+N29 : C C2p_exo anti
+N30 : C C3p_endo anti
+N31 : U C2p_exo anti
+N32 : G C2p_exo anti
+N33 : G C2p_endo anti
+N34 : G C1p_endo anti
+N35 : A C3p_exo anti
+N36 : G C2p_exo anti
+N37 : C C3p_endo anti
+N38 : U C3p_endo anti
+N39 : C C2p_exo anti
+N40 : U C3p_endo anti
+N41 : C C4p_exo anti
+N42 : U C3p_endo anti
+N43 : G C2p_exo anti
+N44 : C C3p_endo anti
+N45 : C C3p_endo anti
+N1 : ARG
+Adjacent stackings ----------------------------------------------
+N17-N18 : adjacent_5p upward 
+N18-N19 : adjacent_5p upward 
+N19-N20 : adjacent_5p upward 
+N20-N21 : adjacent_5p upward 
+N21-N22 : adjacent_5p upward 
+N26-N27 : adjacent_5p upward 
+N27-N28 : adjacent_5p upward 
+N28-N29 : adjacent_5p upward 
+N36-N37 : adjacent_5p upward 
+N37-N38 : adjacent_5p upward 
+N38-N39 : adjacent_5p upward 
+N39-N40 : adjacent_5p upward 
+N41-N42 : adjacent_5p upward 
+N43-N44 : adjacent_5p upward 
+N44-N45 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 15
+Number of adjacent stackings = 15
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+N17-N45 : G-C Ww/Ww pairing antiparallel cis XIX 
+N18-N44 : G-C Ww/Ww pairing antiparallel cis XIX 
+N19-N43 : C-G Ww/Ww pairing antiparallel cis XIX 
+N20-N42 : A-U Ww/Ww pairing antiparallel cis XX 
+N21-N41 : G-C Ww/Ww pairing antiparallel cis XIX 
+N22-N40 : A-U Ww/Ww pairing antiparallel cis XX 
+N26-N39 : G-C Ww/Ww pairing antiparallel cis 
+N27-N38 : A-U Ww/Ww pairing antiparallel cis XX 
+N28-N37 : G-C Ww/Ww pairing antiparallel cis XIX 
+N29-N36 : C-G Ww/Ww pairing antiparallel cis XIX 
+N30-N31 : C-U O2'/Hh adjacent_5p pairing 
+N32-N33 : G-G O2'/Hh adjacent_5p pairing 
+Residue conformations -------------------------------------------
+N17 : G C2p_exo anti
+N18 : G C2p_exo anti
+N19 : C C3p_endo anti
+N20 : A C3p_endo anti
+N21 : G C3p_endo anti
+N22 : A C2p_exo anti
+N23 : U C2p_exo anti
+N24 : C C2p_exo anti
+N25 : U C2p_endo syn
+N26 : G C3p_endo anti
+N27 : A C3p_endo anti
+N28 : G C4p_exo anti
+N29 : C C3p_endo anti
+N30 : C C2p_exo anti
+N31 : U O4p_endo anti
+N32 : G C3p_exo anti
+N33 : G C3p_endo anti
+N34 : G C2p_exo anti
+N35 : A C2p_endo anti
+N36 : G C2p_exo anti
+N37 : C C4p_exo anti
+N38 : U C3p_endo anti
+N39 : C C2p_exo anti
+N40 : U C3p_endo anti
+N41 : C C4p_exo anti
+N42 : U C3p_endo anti
+N43 : G C3p_endo anti
+N44 : C C2p_exo anti
+N45 : C C3p_endo anti
+N1 : ARG
+Adjacent stackings ----------------------------------------------
+N17-N18 : adjacent_5p upward 
+N18-N19 : adjacent_5p upward 
+N19-N20 : adjacent_5p upward 
+N20-N21 : adjacent_5p upward 
+N21-N22 : adjacent_5p upward 
+N26-N27 : adjacent_5p upward 
+N27-N28 : adjacent_5p upward 
+N28-N29 : adjacent_5p upward 
+N29-N30 : adjacent_5p upward 
+N38-N39 : adjacent_5p upward 
+N40-N41 : adjacent_5p upward 
+N41-N42 : adjacent_5p upward 
+N42-N43 : adjacent_5p upward 
+N43-N44 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+N20-N43 : outward 
+Number of stackings = 15
+Number of adjacent stackings = 14
+Number of non adjacent stackings = 1
+Base-pairs ------------------------------------------------------
+N17-N45 : G-C Ww/Ww pairing antiparallel cis XIX 
+N18-N44 : G-C Ww/Ww pairing antiparallel cis 130 
+N19-N43 : C-G Ww/Ww pairing antiparallel cis XIX 
+N20-N42 : A-U Ww/Ww pairing antiparallel cis XX 
+N21-N41 : G-C Ww/Ww pairing antiparallel cis XIX 
+N22-N40 : A-U Ww/Ww pairing antiparallel cis XX 
+N26-N39 : G-C Ww/Ww pairing antiparallel cis XIX 
+N27-N38 : A-U Ww/Ww pairing antiparallel cis XX 
+N28-N37 : G-C Ww/Ww pairing antiparallel cis 
+N29-N36 : C-G Ww/Ww pairing antiparallel cis 
+N30-N34 : C-G O2'/Bs pairing 
+N31-N36 : U-G Hw/Sw pairing parallel trans one_hbond 89 
+N32-N33 : G-G O2P/Ss adjacent_5p pairing 
+Residue conformations -------------------------------------------
+N17 : G C3p_endo syn
+N18 : G C1p_exo anti
+N19 : C C2p_exo anti
+N20 : A C2p_exo anti
+N21 : G C3p_endo anti
+N22 : A C2p_exo anti
+N23 : U C2p_exo anti
+N24 : C C2p_exo anti
+N25 : U C2p_endo syn
+N26 : G C3p_endo anti
+N27 : A C2p_exo anti
+N28 : G C4p_exo anti
+N29 : C C2p_exo anti
+N30 : C C3p_endo anti
+N31 : U C1p_exo anti
+N32 : G C4p_exo anti
+N33 : G C3p_exo anti
+N34 : G C1p_endo anti
+N35 : A C2p_exo anti
+N36 : G C2p_exo anti
+N37 : C C3p_endo anti
+N38 : U C3p_endo anti
+N39 : C C3p_endo anti
+N40 : U C2p_exo anti
+N41 : C O4p_endo anti
+N42 : U C4p_exo anti
+N43 : G C2p_exo anti
+N44 : C C2p_exo anti
+N45 : C C4p_exo anti
+N1 : ARG
+Adjacent stackings ----------------------------------------------
+N17-N18 : adjacent_5p downward 
+N18-N19 : adjacent_5p outward pairing 
+N19-N20 : adjacent_5p upward 
+N20-N21 : adjacent_5p upward 
+N21-N22 : adjacent_5p upward 
+N26-N27 : adjacent_5p upward 
+N27-N28 : adjacent_5p upward 
+N28-N29 : adjacent_5p upward 
+N29-N30 : adjacent_5p upward 
+N37-N38 : adjacent_5p upward 
+N38-N39 : adjacent_5p upward 
+N39-N40 : adjacent_5p upward 
+N40-N41 : adjacent_5p upward 
+N41-N42 : adjacent_5p upward 
+N42-N43 : adjacent_5p upward 
+N43-N44 : adjacent_5p inward 
+Non-Adjacent stackings ------------------------------------------
+N34-N36 : upward 
+Number of stackings = 17
+Number of adjacent stackings = 16
+Number of non adjacent stackings = 1
+Base-pairs ------------------------------------------------------
+N18-N19 : G-C O2'/Hh adjacent_5p outward pairing 
+N18-N44 : G-C Ww/Ww pairing antiparallel cis 
+N18-N45 : G-C Bs/O2' Ss/O2' pairing 
+N19-N43 : C-G Ww/Ww pairing antiparallel cis XIX 
+N20-N42 : A-U Ww/Ww pairing antiparallel cis XX 
+N21-N41 : G-C Ww/Ww pairing antiparallel cis XIX 
+N22-N40 : A-U Ww/Ww pairing antiparallel cis XX 
+N26-N39 : G-C Ww/Ww pairing antiparallel cis XIX 
+N27-N38 : A-U Ww/Ww pairing antiparallel cis XX 
+N28-N37 : G-C Ww/Ww pairing antiparallel cis XIX 
+N29-N36 : C-G Ww/Ww pairing antiparallel cis XIX 
+N33-N34 : G-G O2P/Ss adjacent_5p pairing 
+N34-N35 : G-A O2'/Hh adjacent_5p pairing 
+N43-N45 : G-C Hh/O2P pairing 
+N44-N45 : C-C Ss/Hh adjacent_5p pairing parallel cis one_hbond 
+Residue conformations -------------------------------------------
+N17 : G C3p_endo anti
+N18 : G C2p_exo anti
+N19 : C C3p_endo anti
+N20 : A C2p_exo anti
+N21 : G C3p_endo anti
+N22 : A C2p_exo anti
+N23 : U C2p_exo anti
+N24 : C C3p_endo anti
+N25 : U C1p_exo anti
+N26 : G C4p_exo anti
+N27 : A C2p_exo anti
+N28 : G C3p_endo anti
+N29 : C C2p_exo anti
+N30 : C C2p_exo anti
+N31 : U C3p_exo anti
+N32 : G C2p_exo anti
+N33 : G C3p_exo anti
+N34 : G C1p_endo syn
+N35 : A C3p_exo anti
+N36 : G C2p_exo anti
+N37 : C C2p_exo anti
+N38 : U C3p_endo anti
+N39 : C C3p_endo anti
+N40 : U C2p_exo anti
+N41 : C C4p_exo anti
+N42 : U C3p_endo anti
+N43 : G C2p_exo anti
+N44 : C C3p_endo anti
+N45 : C C3p_endo anti
+N1 : ARG
+Adjacent stackings ----------------------------------------------
+N18-N19 : adjacent_5p upward 
+N19-N20 : adjacent_5p upward 
+N20-N21 : adjacent_5p upward 
+N26-N27 : adjacent_5p upward 
+N27-N28 : adjacent_5p upward 
+N29-N30 : adjacent_5p upward 
+N36-N37 : adjacent_5p upward 
+N37-N38 : adjacent_5p upward 
+N38-N39 : adjacent_5p upward 
+N39-N40 : adjacent_5p upward 
+N40-N41 : adjacent_5p upward 
+N41-N42 : adjacent_5p upward 
+N43-N44 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+N20-N43 : outward 
+Number of stackings = 14
+Number of adjacent stackings = 13
+Number of non adjacent stackings = 1
+Base-pairs ------------------------------------------------------
+N17-N45 : G-C Ww/Ww pairing antiparallel cis XIX 
+N18-N44 : G-C Ww/Ww pairing antiparallel cis 
+N19-N43 : C-G Ww/Ww pairing antiparallel cis XIX 
+N20-N42 : A-U Ww/Ww pairing antiparallel cis XX 
+N21-N41 : G-C Ww/Ww pairing antiparallel cis one_hbond 130 
+N22-N40 : A-U Ww/Ww pairing antiparallel cis XX 
+N26-N39 : G-C Ww/Ww pairing antiparallel cis XIX 
+N27-N38 : A-U Ww/Ww pairing antiparallel cis XX 
+N28-N37 : G-C Ww/Ww pairing antiparallel cis one_hbond 130 
+N31-N32 : U-G O2'/Hh adjacent_5p pairing 
+N34-N35 : G-A O2'/C8 adjacent_5p pairing 
+N34-N37 : G-C Hh/O2P pairing 
+Residue conformations -------------------------------------------
+N17 : G C2p_exo anti
+N18 : G C3p_endo anti
+N19 : C C2p_exo anti
+N20 : A C2p_exo anti
+N21 : G C4p_exo anti
+N22 : A C2p_exo anti
+N23 : U C2p_exo anti
+N24 : C C2p_exo anti
+N25 : U C1p_exo syn
+N26 : G C3p_endo anti
+N27 : A C2p_exo anti
+N28 : G C4p_exo anti
+N29 : C C2p_exo anti
+N30 : C C3p_endo anti
+N31 : U C2p_exo anti
+N32 : G C1p_exo anti
+N33 : G C3p_endo anti
+N34 : G C2p_exo anti
+N35 : A C2p_exo anti
+N36 : G C2p_exo anti
+N37 : C C3p_endo anti
+N38 : U C3p_endo anti
+N39 : C C3p_endo anti
+N40 : U C3p_endo anti
+N41 : C C4p_exo anti
+N42 : U C3p_endo anti
+N43 : G C2p_exo anti
+N44 : C C2p_exo anti
+N45 : C C3p_endo anti
+N1 : ARG
+Adjacent stackings ----------------------------------------------
+N17-N18 : adjacent_5p upward 
+N18-N19 : adjacent_5p upward 
+N19-N20 : adjacent_5p upward 
+N20-N21 : adjacent_5p upward 
+N21-N22 : adjacent_5p upward 
+N26-N27 : adjacent_5p upward 
+N27-N28 : adjacent_5p upward 
+N28-N29 : adjacent_5p upward 
+N36-N37 : adjacent_5p upward 
+N38-N39 : adjacent_5p upward 
+N39-N40 : adjacent_5p upward 
+N40-N41 : adjacent_5p upward 
+N41-N42 : adjacent_5p upward 
+N42-N43 : adjacent_5p upward 
+N43-N44 : adjacent_5p upward 
+N44-N45 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+N20-N43 : outward 
+N34-N36 : upward 
+Number of stackings = 18
+Number of adjacent stackings = 16
+Number of non adjacent stackings = 2
+Base-pairs ------------------------------------------------------
+N17-N45 : G-C Ww/Ww pairing antiparallel cis XIX 
+N18-N44 : G-C Ww/Ww pairing antiparallel cis XIX 
+N19-N43 : C-G Ww/Ww pairing antiparallel cis XIX 
+N20-N42 : A-U Ww/Ww pairing antiparallel cis XX 
+N21-N41 : G-C Ww/Ww pairing antiparallel cis XIX 
+N22-N26 : A-G Wh/Hw pairing parallel cis one_hbond 
+N27-N38 : A-U Ww/Ww pairing antiparallel cis XX 
+N28-N37 : G-C Ww/Ww pairing antiparallel cis XIX 
+N29-N36 : C-G Ww/Ww pairing antiparallel cis XIX 
+N31-N32 : U-G O2'/C8 adjacent_5p pairing 
+N33-N34 : G-G Sw/Wh O2'/C8 adjacent_5p pairing antiparallel cis one_hbond 
+N34-N35 : G-A O2'/Hh adjacent_5p pairing 
+Residue conformations -------------------------------------------
+N17 : G C2p_exo anti
+N18 : G C1p_exo anti
+N19 : C C2p_exo anti
+N20 : A C3p_endo anti
+N21 : G C3p_endo anti
+N22 : A C2p_exo anti
+N23 : U C2p_exo anti
+N24 : C C3p_endo anti
+N25 : U C2p_endo syn
+N26 : G C3p_endo anti
+N27 : A C3p_endo anti
+N28 : G C4p_exo anti
+N29 : C C3p_endo anti
+N30 : C C2p_exo anti
+N31 : U C4p_endo anti
+N32 : G C3p_exo anti
+N33 : G C2p_exo anti
+N34 : G C3p_endo syn
+N35 : A C2p_endo anti
+N36 : G C3p_endo anti
+N37 : C C2p_exo anti
+N38 : U C3p_endo anti
+N39 : C C3p_endo anti
+N40 : U C3p_endo anti
+N41 : C C4p_exo anti
+N42 : U C2p_exo anti
+N43 : G C3p_endo anti
+N44 : C C2p_exo anti
+N45 : C O4p_endo anti
+N1 : ARG
+Adjacent stackings ----------------------------------------------
+N19-N20 : adjacent_5p upward 
+N20-N21 : adjacent_5p upward 
+N21-N22 : adjacent_5p upward 
+N26-N27 : adjacent_5p upward 
+N27-N28 : adjacent_5p upward 
+N28-N29 : adjacent_5p upward 
+N29-N30 : adjacent_5p upward 
+N37-N38 : adjacent_5p upward 
+N38-N39 : adjacent_5p upward 
+N39-N40 : adjacent_5p upward 
+N40-N41 : adjacent_5p upward 
+N41-N42 : adjacent_5p upward 
+N42-N43 : adjacent_5p upward 
+N43-N44 : adjacent_5p inward 
+Non-Adjacent stackings ------------------------------------------
+N20-N43 : outward 
+Number of stackings = 15
+Number of adjacent stackings = 14
+Number of non adjacent stackings = 1
+Base-pairs ------------------------------------------------------
+N17-N45 : G-C Ww/Ww pairing antiparallel cis 
+N18-N19 : G-C O2'/Hh adjacent_5p pairing 
+N18-N44 : G-C Ww/Ww pairing antiparallel cis 
+N18-N45 : G-C Bs/O2' pairing 
+N20-N42 : A-U Ww/Ww pairing antiparallel cis XX 
+N21-N41 : G-C Ww/Ww pairing antiparallel cis XIX 
+N22-N25 : A-U O2'/Hh O2'/Ww pairing 
+N22-N40 : A-U Ww/Ww pairing antiparallel cis XX 
+N26-N39 : G-C Ww/Ww pairing antiparallel cis XIX 
+N27-N38 : A-U Ww/Ww pairing antiparallel cis XX 
+N28-N37 : G-C Ww/Ww pairing antiparallel cis XIX 
+N29-N36 : C-G Wh/Wh pairing antiparallel cis one_hbond 
+N33-N34 : G-G O2'/C8 adjacent_5p pairing 
+N43-N45 : G-C Hh/O2P pairing 
+N44-N45 : C-C Ss/Hh adjacent_5p pairing parallel cis one_hbond 
+Residue conformations -------------------------------------------
+N17 : G C3p_endo anti
+N18 : G C3p_endo anti
+N19 : C C2p_exo anti
+N20 : A C2p_exo anti
+N21 : G C3p_endo anti
+N22 : A C2p_exo anti
+N23 : U C2p_exo anti
+N24 : C C2p_exo anti
+N25 : U C3p_endo syn
+N26 : G C3p_endo anti
+N27 : A C2p_exo anti
+N28 : G C4p_exo anti
+N29 : C C2p_exo anti
+N30 : C C2p_exo anti
+N31 : U C3p_endo anti
+N32 : G C1p_endo syn
+N33 : G C2p_endo anti
+N34 : G C1p_endo syn
+N35 : A C3p_exo anti
+N36 : G C2p_exo anti
+N37 : C C3p_endo anti
+N38 : U C3p_endo anti
+N39 : C C2p_exo anti
+N40 : U C3p_endo anti
+N41 : C C4p_exo anti
+N42 : U C3p_endo anti
+N43 : G C2p_exo anti
+N44 : C C2p_exo anti
+N45 : C C3p_endo anti
+N1 : ARG
+Adjacent stackings ----------------------------------------------
+N18-N19 : adjacent_5p upward 
+N19-N20 : adjacent_5p upward 
+N20-N21 : adjacent_5p upward 
+N21-N22 : adjacent_5p upward 
+N26-N27 : adjacent_5p upward 
+N27-N28 : adjacent_5p upward 
+N28-N29 : adjacent_5p upward 
+N29-N30 : adjacent_5p upward 
+N37-N38 : adjacent_5p upward 
+N38-N39 : adjacent_5p upward 
+N39-N40 : adjacent_5p upward 
+N40-N41 : adjacent_5p upward 
+N43-N44 : adjacent_5p upward 
+N44-N45 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+N20-N43 : outward 
+Number of stackings = 15
+Number of adjacent stackings = 14
+Number of non adjacent stackings = 1
+Base-pairs ------------------------------------------------------
+N17-N45 : G-C Ww/Ww pairing antiparallel cis one_hbond 
+N19-N43 : C-G Ww/Ww pairing antiparallel cis XIX 
+N20-N42 : A-U Ww/Ww pairing antiparallel cis XX 
+N21-N41 : G-C Ww/Ww pairing antiparallel cis XIX 
+N22-N40 : A-U Ww/Ww pairing antiparallel cis XX 
+N23-N34 : U-G Ww/Hw pairing antiparallel trans one_hbond 
+N26-N39 : G-C Ww/Ws pairing antiparallel cis one_hbond 130 
+N27-N38 : A-U Ww/Ww pairing antiparallel cis XX 
+N28-N37 : G-C Ww/Ww pairing antiparallel cis XIX 
+N29-N36 : C-G Ww/Ww pairing antiparallel cis XIX 
+N33-N35 : G-A O2P/Bh pairing 
+N34-N35 : G-A O2'/Hh O2'/C8 adjacent_5p pairing 
+Residue conformations -------------------------------------------
+N17 : G C2p_exo anti
+N18 : G C2p_exo anti
+N19 : C C3p_endo anti
+N20 : A C3p_endo anti
+N21 : G C4p_exo anti
+N22 : A C2p_exo anti
+N23 : U C2p_exo anti
+N24 : C C3p_endo anti
+N25 : U O4p_endo anti
+N26 : G C3p_endo anti
+N27 : A C2p_exo anti
+N28 : G O4p_endo anti
+N29 : C C2p_exo anti
+N30 : C C2p_exo anti
+N31 : U C3p_endo anti
+N32 : G C3p_endo anti
+N33 : G C2p_endo anti
+N34 : G C2p_exo anti
+N35 : A C3p_exo anti
+N36 : G C2p_exo anti
+N37 : C C3p_endo anti
+N38 : U C3p_endo anti
+N39 : C C3p_endo anti
+N40 : U C2p_exo anti
+N41 : C C4p_exo anti
+N42 : U C3p_endo anti
+N43 : G C2p_exo anti
+N44 : C C3p_endo anti
+N45 : C C3p_endo anti
+N1 : ARG
+Adjacent stackings ----------------------------------------------
+N17-N18 : adjacent_5p upward 
+N18-N19 : adjacent_5p upward 
+N19-N20 : adjacent_5p upward 
+N20-N21 : adjacent_5p upward 
+N21-N22 : adjacent_5p upward 
+N26-N27 : adjacent_5p upward 
+N27-N28 : adjacent_5p upward 
+N28-N29 : adjacent_5p upward 
+N29-N30 : adjacent_5p upward 
+N36-N37 : adjacent_5p upward 
+N37-N38 : adjacent_5p upward 
+N39-N40 : adjacent_5p upward 
+N40-N41 : adjacent_5p upward 
+N41-N42 : adjacent_5p upward 
+N43-N44 : adjacent_5p upward 
+N44-N45 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 16
+Number of adjacent stackings = 16
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+N17-N45 : G-C Ww/Ww pairing antiparallel cis XIX 
+N18-N44 : G-C Ww/Ww pairing antiparallel cis XIX 
+N19-N43 : C-G Ww/Ww pairing antiparallel cis XIX 
+N20-N42 : A-U Ww/Ww pairing antiparallel cis XX 
+N21-N41 : G-C Ww/Ww pairing antiparallel cis XIX 
+N22-N40 : A-U Ww/Ww pairing antiparallel cis XX 
+N26-N39 : G-C Ww/Ww pairing antiparallel cis XIX 
+N27-N38 : A-U Ww/Ww pairing antiparallel cis XX 
+N28-N37 : G-C Ww/Ww pairing antiparallel cis XIX 
+N29-N36 : C-G Ww/Ww pairing antiparallel cis XIX 
+N30-N34 : C-G Bs/Ww pairing antiparallel cis 127 
+N34-N35 : G-A O2'/Hh adjacent_5p pairing 
+Residue conformations -------------------------------------------
+N17 : G C2p_exo anti
+N18 : G C1p_exo anti
+N19 : C C2p_exo anti
+N20 : A C3p_endo anti
+N21 : G C4p_exo anti
+N22 : A C2p_exo anti
+N23 : U C2p_exo anti
+N24 : C C3p_endo anti
+N25 : U C3p_exo syn
+N26 : G C4p_exo anti
+N27 : A C2p_exo anti
+N28 : G C3p_endo anti
+N29 : C C2p_exo anti
+N30 : C C2p_endo anti
+N31 : U C2p_exo anti
+N32 : G C3p_exo anti
+N33 : G C3p_exo syn
+N34 : G C2p_exo syn
+N35 : A C3p_endo anti
+N36 : G C2p_exo anti
+N37 : C C3p_endo anti
+N38 : U C3p_endo anti
+N39 : C C3p_endo anti
+N40 : U C3p_endo anti
+N41 : C C4p_exo anti
+N42 : U C3p_endo anti
+N43 : G C3p_endo anti
+N44 : C C1p_endo anti
+N45 : C C4p_exo anti
+N1 : ARG
+Adjacent stackings ----------------------------------------------
+N19-N20 : adjacent_5p upward 
+N20-N21 : adjacent_5p upward 
+N21-N22 : adjacent_5p upward 
+N26-N27 : adjacent_5p upward 
+N27-N28 : adjacent_5p upward 
+N28-N29 : adjacent_5p upward 
+N29-N30 : adjacent_5p upward 
+N36-N37 : adjacent_5p upward 
+N37-N38 : adjacent_5p upward 
+N39-N40 : adjacent_5p upward 
+N40-N41 : adjacent_5p upward 
+N41-N42 : adjacent_5p upward 
+N42-N43 : adjacent_5p upward 
+N43-N44 : adjacent_5p inward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 14
+Number of adjacent stackings = 14
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+N17-N45 : G-C Ww/Ww pairing antiparallel cis one_hbond 
+N18-N19 : G-C O2'/Hh adjacent_5p pairing 
+N18-N44 : G-C Ww/Ww pairing antiparallel cis 
+N18-N45 : G-C Bs/O2' pairing 
+N19-N43 : C-G Ww/Ww pairing antiparallel cis XIX 
+N20-N42 : A-U Ww/Ww pairing antiparallel cis XX 
+N21-N41 : G-C Ww/Ww pairing antiparallel cis XIX 
+N22-N40 : A-U Ww/Ww pairing antiparallel cis XX 
+N26-N39 : G-C Ww/Ww pairing antiparallel cis XIX 
+N27-N38 : A-U Ww/Ww pairing antiparallel cis XX 
+N28-N37 : G-C Ww/Ww pairing antiparallel cis XIX 
+N29-N34 : C-G Wh/Wh pairing antiparallel cis one_hbond 
+N29-N36 : C-G Ww/Ww pairing antiparallel cis XIX 
+N30-N34 : C-G Bs/Ww pairing antiparallel cis 127 
+N31-N32 : U-G O2'/Ss adjacent_5p pairing 
+N32-N33 : G-G Sw/Wh adjacent_5p pairing parallel cis one_hbond 114 
+N43-N45 : G-C Hh/O2P pairing 
+N44-N45 : C-C Ss/Hh adjacent_5p pairing parallel cis one_hbond 
+Residue conformations -------------------------------------------
+N17 : G C2p_exo anti
+N18 : G C3p_endo anti
+N19 : C C2p_exo anti
+N20 : A C3p_endo anti
+N21 : G C3p_endo anti
+N22 : A C2p_exo anti
+N23 : U C2p_exo anti
+N24 : C C2p_exo anti
+N25 : U C2p_endo anti
+N26 : G C3p_endo anti
+N27 : A C3p_endo anti
+N28 : G C4p_exo anti
+N29 : C C2p_exo anti
+N30 : C C3p_endo anti
+N31 : U C3p_endo anti
+N32 : G C3p_endo anti
+N33 : G C2p_exo anti
+N34 : G C1p_endo syn
+N35 : A C2p_exo anti
+N36 : G C2p_exo anti
+N37 : C C3p_endo anti
+N38 : U C3p_endo anti
+N39 : C C2p_exo anti
+N40 : U C3p_endo anti
+N41 : C C3p_endo anti
+N42 : U C3p_endo anti
+N43 : G C3p_endo anti
+N44 : C C3p_endo anti
+N45 : C C3p_endo anti
+N1 : ARG
+Adjacent stackings ----------------------------------------------
+N17-N18 : adjacent_5p upward 
+N18-N19 : adjacent_5p upward 
+N19-N20 : adjacent_5p upward 
+N20-N21 : adjacent_5p upward 
+N21-N22 : adjacent_5p upward 
+N26-N27 : adjacent_5p upward 
+N27-N28 : adjacent_5p upward 
+N28-N29 : adjacent_5p upward 
+N29-N30 : adjacent_5p upward 
+N36-N37 : adjacent_5p upward 
+N38-N39 : adjacent_5p upward 
+N39-N40 : adjacent_5p upward 
+N40-N41 : adjacent_5p upward 
+N41-N42 : adjacent_5p upward 
+N42-N43 : adjacent_5p upward 
+N43-N44 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 16
+Number of adjacent stackings = 16
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+N17-N45 : G-C Ww/Ww pairing antiparallel cis 130 
+N18-N44 : G-C Ww/Ww pairing antiparallel cis XIX 
+N19-N43 : C-G Ww/Ww pairing antiparallel cis XIX 
+N20-N42 : A-U Ww/Ww pairing antiparallel cis XX 
+N21-N41 : G-C Ww/Ww pairing antiparallel cis XIX 
+N26-N39 : G-C Ww/Ww pairing antiparallel cis XIX 
+N27-N38 : A-U Ww/Ww pairing antiparallel cis XX 
+N28-N37 : G-C Ww/Ww pairing antiparallel cis XIX 
+N29-N36 : C-G Ww/Ww pairing antiparallel cis XIX 
+N30-N34 : C-G Ww/Ww pairing antiparallel cis one_hbond 
+N33-N34 : G-G O2P/Bs adjacent_5p pairing 
+N34-N35 : G-A O2'/Hh adjacent_5p pairing 
+Residue conformations -------------------------------------------
+N17 : G C2p_exo anti
+N18 : G C1p_exo anti
+N19 : C C2p_exo anti
+N20 : A C2p_exo anti
+N21 : G C3p_endo anti
+N22 : A C2p_exo anti
+N23 : U C3p_endo anti
+N24 : C C3p_endo anti
+N25 : U C3p_endo anti
+N26 : G C3p_endo anti
+N27 : A C2p_exo anti
+N28 : G C4p_exo anti
+N29 : C C3p_endo anti
+N30 : C C2p_exo anti
+N31 : U C3p_exo anti
+N32 : G C2p_exo anti
+N33 : G C3p_exo anti
+N34 : G C2p_exo syn
+N35 : A C2p_exo anti
+N36 : G C2p_exo anti
+N37 : C C3p_endo anti
+N38 : U C3p_endo anti
+N39 : C C3p_endo anti
+N40 : U C2p_exo anti
+N41 : C C4p_exo anti
+N42 : U C2p_exo anti
+N43 : G C3p_endo anti
+N44 : C C1p_endo anti
+N45 : C C4p_exo anti
+N1 : ARG
+Adjacent stackings ----------------------------------------------
+N18-N19 : adjacent_5p outward pairing 
+N19-N20 : adjacent_5p upward 
+N20-N21 : adjacent_5p upward 
+N21-N22 : adjacent_5p upward 
+N26-N27 : adjacent_5p upward 
+N27-N28 : adjacent_5p upward 
+N28-N29 : adjacent_5p upward 
+N36-N37 : adjacent_5p upward 
+N37-N38 : adjacent_5p upward 
+N39-N40 : adjacent_5p upward 
+N40-N41 : adjacent_5p upward 
+N41-N42 : adjacent_5p upward 
+N43-N44 : adjacent_5p inward 
+Non-Adjacent stackings ------------------------------------------
+N20-N43 : outward 
+Number of stackings = 14
+Number of adjacent stackings = 13
+Number of non adjacent stackings = 1
+Base-pairs ------------------------------------------------------
+N17-N45 : G-C Ww/Ww pairing antiparallel cis XIX 
+N18-N19 : G-C O2'/Hh adjacent_5p outward pairing 
+N18-N44 : G-C Ww/Ww pairing antiparallel cis 
+N18-N45 : G-C Bs/O2' pairing 
+N19-N43 : C-G Ww/Ww pairing antiparallel cis XIX 
+N21-N41 : G-C Ww/Ww pairing antiparallel cis 
+N22-N26 : A-G Wh/Hw pairing parallel cis one_hbond 
+N25-N26 : U-G O2'/C8 adjacent_5p pairing 
+N26-N39 : G-C Ww/Ww pairing antiparallel cis 
+N27-N38 : A-U Ww/Ww pairing antiparallel cis XX 
+N28-N37 : G-C Ww/Ww pairing antiparallel cis XIX 
+N29-N36 : C-G Ww/Ww pairing antiparallel cis XIX 
+N34-N35 : G-A O2'/Hh adjacent_5p pairing 
+N34-N36 : G-G Hh/O2P pairing 
+N43-N45 : G-C Hh/O2P pairing 
+N44-N45 : C-C Ss/Hh adjacent_5p pairing parallel cis one_hbond 
+Residue conformations -------------------------------------------
+N17 : G C2p_exo anti
+N18 : G C3p_endo anti
+N19 : C C2p_exo anti
+N20 : A C3p_endo anti
+N21 : G C2p_exo anti
+N22 : A C2p_exo anti
+N23 : U C3p_endo anti
+N24 : C C2p_exo anti
+N25 : U C1p_endo anti
+N26 : G C3p_endo anti
+N27 : A C3p_endo anti
+N28 : G C3p_endo anti
+N29 : C C3p_endo anti
+N30 : C C3p_endo anti
+N31 : U C3p_exo anti
+N32 : G C2p_exo anti
+N33 : G C2p_endo anti
+N34 : G C2p_exo syn
+N35 : A C3p_exo anti
+N36 : G C2p_exo anti
+N37 : C C3p_endo anti
+N38 : U C3p_endo anti
+N39 : C C3p_endo anti
+N40 : U C2p_exo anti
+N41 : C C4p_exo anti
+N42 : U C3p_endo anti
+N43 : G C3p_endo anti
+N44 : C C2p_exo anti
+N45 : C C3p_endo anti
+N1 : ARG
+Adjacent stackings ----------------------------------------------
+N17-N18 : adjacent_5p upward 
+N18-N19 : adjacent_5p upward 
+N19-N20 : adjacent_5p upward 
+N20-N21 : adjacent_5p upward 
+N21-N22 : adjacent_5p upward 
+N26-N27 : adjacent_5p upward 
+N27-N28 : adjacent_5p upward 
+N28-N29 : adjacent_5p upward 
+N29-N30 : adjacent_5p upward pairing 
+N30-N31 : adjacent_5p upward 
+N37-N38 : adjacent_5p upward 
+N38-N39 : adjacent_5p upward 
+N39-N40 : adjacent_5p upward 
+N40-N41 : adjacent_5p upward 
+N41-N42 : adjacent_5p upward 
+N43-N44 : adjacent_5p upward 
+N44-N45 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+N20-N43 : outward 
+Number of stackings = 18
+Number of adjacent stackings = 17
+Number of non adjacent stackings = 1
+Base-pairs ------------------------------------------------------
+N1-N22 : ARG-A pairing one_hbond 
+N17-N45 : G-C Ww/Ww pairing antiparallel cis XIX 
+N18-N44 : G-C Ww/Ww pairing antiparallel cis XIX 
+N19-N43 : C-G Ww/Ww pairing antiparallel cis XIX 
+N20-N42 : A-U Ww/Ww pairing antiparallel cis XX 
+N21-N41 : G-C Ww/Ww pairing antiparallel cis XIX 
+N25-N41 : U-C Ww/O2' pairing 
+N26-N39 : G-C Ww/Ww pairing antiparallel cis XIX 
+N27-N38 : A-U Ww/Ww pairing antiparallel cis XX 
+N28-N37 : G-C Ww/Ww pairing antiparallel cis XIX 
+N29-N30 : C-C O2P/Bh adjacent_5p upward pairing 
+N29-N36 : C-G Ww/Ww pairing antiparallel cis XIX 
+N30-N34 : C-G O2'/Bs pairing 
+N33-N34 : G-G O2P/Bs adjacent_5p pairing 
+Residue conformations -------------------------------------------
+N17 : G C3p_endo anti
+N18 : G C1p_exo anti
+N19 : C C2p_exo anti
+N20 : A C2p_exo anti
+N21 : G C3p_endo anti
+N22 : A C2p_exo anti
+N23 : U C2p_exo anti
+N24 : C C3p_endo anti
+N25 : U C3p_exo syn
+N26 : G C4p_exo anti
+N27 : A C4p_exo anti
+N28 : G C4p_exo anti
+N29 : C C3p_endo anti
+N30 : C C3p_endo anti
+N31 : U O4p_endo anti
+N32 : G C2p_exo anti
+N33 : G C2p_exo anti
+N34 : G C3p_endo anti
+N35 : A C2p_exo anti
+N36 : G C2p_exo anti
+N37 : C C3p_endo anti
+N38 : U C4p_exo anti
+N39 : C C2p_exo anti
+N40 : U C3p_endo anti
+N41 : C C3p_endo anti
+N42 : U C2p_exo anti
+N43 : G C2p_exo anti
+N44 : C C3p_endo anti
+N45 : C O4p_endo anti
+N1 : ARG
+Adjacent stackings ----------------------------------------------
+N17-N18 : adjacent_5p downward 
+N18-N19 : adjacent_5p outward pairing 
+N20-N21 : adjacent_5p upward 
+N21-N22 : adjacent_5p upward 
+N26-N27 : adjacent_5p upward 
+N27-N28 : adjacent_5p upward 
+N28-N29 : adjacent_5p upward 
+N29-N30 : adjacent_5p upward pairing 
+N39-N40 : adjacent_5p upward 
+N40-N41 : adjacent_5p upward 
+N41-N42 : adjacent_5p upward 
+N43-N44 : adjacent_5p inward 
+Non-Adjacent stackings ------------------------------------------
+N27-N39 : outward 
+Number of stackings = 13
+Number of adjacent stackings = 12
+Number of non adjacent stackings = 1
+Base-pairs ------------------------------------------------------
+N18-N19 : G-C O2'/Hh adjacent_5p outward pairing 
+N18-N44 : G-C Ww/Ww pairing antiparallel cis 
+N18-N45 : G-C Bs/O2' pairing 
+N19-N43 : C-G Ww/Ww pairing antiparallel cis XIX 
+N20-N42 : A-U Ww/Ww pairing antiparallel cis XX 
+N21-N41 : G-C Ww/Ww pairing antiparallel cis XIX 
+N22-N40 : A-U Ww/Ww pairing antiparallel cis XX 
+N23-N33 : U-G O2P/Bs pairing 
+N26-N39 : G-C Ww/Ww pairing antiparallel cis XIX 
+N27-N38 : A-U Ww/Ww pairing antiparallel cis XX 
+N28-N37 : G-C Ww/Ww pairing antiparallel cis XIX 
+N29-N30 : C-C O2P/Bh adjacent_5p upward pairing 
+N29-N31 : C-U O2P/Ww pairing 
+N29-N36 : C-G Ww/Ww pairing antiparallel cis 
+N30-N34 : C-G Ws/Ws pairing antiparallel cis one_hbond 
+N33-N34 : G-G O2'/C8 adjacent_5p pairing 
+N34-N35 : G-A O2'/Hh adjacent_5p pairing 
+N35-N36 : A-G Ww/O2' adjacent_5p pairing 
+N43-N45 : G-C Hh/O2P pairing 
+N44-N45 : C-C Ss/Hh adjacent_5p pairing parallel cis one_hbond 
+Residue conformations -------------------------------------------
+N17 : G C2p_exo anti
+N18 : G C3p_endo anti
+N19 : C C2p_exo anti
+N20 : A C3p_endo anti
+N21 : G C2p_exo anti
+N22 : A C2p_exo anti
+N23 : U C2p_exo anti
+N24 : C C3p_endo anti
+N25 : U C2p_endo syn
+N26 : G C4p_exo anti
+N27 : A C4p_exo anti
+N28 : G C3p_endo anti
+N29 : C C2p_exo anti
+N30 : C C2p_exo anti
+N31 : U C2p_endo anti
+N32 : G C2p_exo anti
+N33 : G C2p_exo anti
+N34 : G C2p_exo syn
+N35 : A C3p_exo anti
+N36 : G C2p_exo anti
+N37 : C C3p_endo anti
+N38 : U C3p_endo anti
+N39 : C C3p_endo anti
+N40 : U C2p_exo anti
+N41 : C C3p_endo anti
+N42 : U C3p_endo anti
+N43 : G C3p_endo anti
+N44 : C C2p_exo anti
+N45 : C C3p_endo anti
+N1 : ARG
+Adjacent stackings ----------------------------------------------
+N17-N18 : adjacent_5p upward 
+N18-N19 : adjacent_5p upward 
+N19-N20 : adjacent_5p upward 
+N20-N21 : adjacent_5p upward 
+N21-N22 : adjacent_5p upward 
+N26-N27 : adjacent_5p upward 
+N27-N28 : adjacent_5p upward 
+N29-N30 : adjacent_5p upward 
+N36-N37 : adjacent_5p upward 
+N40-N41 : adjacent_5p upward 
+N41-N42 : adjacent_5p upward 
+N42-N43 : adjacent_5p upward 
+N43-N44 : adjacent_5p upward 
+N44-N45 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+N34-N36 : upward 
+Number of stackings = 15
+Number of adjacent stackings = 14
+Number of non adjacent stackings = 1
+Base-pairs ------------------------------------------------------
+N17-N45 : G-C Ww/Ws pairing antiparallel cis one_hbond 130 
+N18-N44 : G-C Ww/Ww pairing antiparallel cis 
+N19-N43 : C-G Ww/Ww pairing antiparallel cis XIX 
+N20-N42 : A-U Ww/Ww pairing antiparallel cis XX 
+N21-N41 : G-C Ww/Ww pairing antiparallel cis 
+N22-N40 : A-U Ww/Ww pairing antiparallel cis one_hbond 
+N26-N39 : G-C Ww/Ww pairing antiparallel cis XIX 
+N27-N38 : A-U Ww/Ww pairing antiparallel cis XX 
+N29-N34 : C-G Ww/Ww pairing antiparallel cis XIX 
+N30-N33 : C-G O2'/Ss O2'/C8 pairing 
+N33-N34 : G-G O2'/Ss adjacent_5p pairing 
diff --git a/MCdata/1asy_MC b/MCdata/1asy_MC
new file mode 100644
index 0000000000000000000000000000000000000000..79a57ae95ff6d5dfde791a33930065a1efee6e56
--- /dev/null
+++ b/MCdata/1asy_MC
@@ -0,0 +1,1305 @@
+Residue conformations -------------------------------------------
+R601 : U C3p_endo anti
+R602 : C C3p_endo anti
+R603 : C C3p_endo anti
+R604 : G C3p_endo anti
+R605 : U C3p_endo anti
+R606 : G C3p_endo anti
+R607 : A C2p_endo anti
+R608 : U C3p_endo anti
+R609 : A C2p_endo anti
+R610 : G C3p_endo anti
+R611 : U C3p_endo anti
+R612 : U C3p_endo anti
+R613 : PSU
+R614 : A C3p_endo anti
+R615 : A C3p_endo anti
+R616 : H2U
+R617 : G C2p_endo anti
+R618 : G C2p_endo syn
+R619 : H2U
+R620 : C C3p_endo anti
+R621 : A C3p_endo anti
+R622 : G C3p_endo anti
+R623 : A C3p_endo anti
+R624 : A C3p_endo anti
+R625 : U C3p_endo anti
+R626 : G C3p_endo anti
+R627 : G C3p_endo anti
+R628 : G C3p_endo anti
+R629 : C C3p_endo anti
+R630 : G C3p_endo anti
+R631 : C C3p_endo anti
+R632 : PSU
+R633 : U C3p_endo anti
+R634 : G C3p_endo anti
+R635 : U C3p_endo anti
+R636 : C C3p_endo anti
+R637 : 1MG
+R638 : C C3p_endo anti
+R639 : G C3p_endo anti
+R640 : U C3p_endo anti
+R641 : G C3p_endo anti
+R642 : C C3p_endo anti
+R643 : C C3p_endo anti
+R644 : A C3p_endo anti
+R645 : G C3p_endo anti
+R646 : A C3p_endo anti
+R648 : U C2p_endo anti
+R649 : 5MC
+R650 : G C3p_endo anti
+R651 : G C3p_endo anti
+R652 : G C3p_endo anti
+R653 : G C3p_endo anti
+R654 : 5MU
+R655 : PSU
+R656 : C C3p_endo anti
+R657 : A C3p_endo anti
+R658 : A C2p_endo syn
+R659 : U C3p_endo anti
+R660 : U C2p_endo syn
+R661 : C C3p_endo anti
+R662 : C C3p_endo anti
+R663 : C C3p_endo anti
+R664 : C C3p_endo anti
+R665 : G C3p_endo anti
+R666 : U C3p_endo anti
+R667 : C C3p_endo anti
+R668 : G C3p_endo anti
+R669 : C C3p_endo anti
+R670 : G C3p_endo anti
+R671 : G C3p_endo anti
+R672 : A C3p_endo anti
+R673 : G C3p_endo anti
+R674 : C C3p_endo anti
+R675 : C C3p_endo anti
+R676 : A C2p_endo anti
+S601 : U C3p_endo anti
+S602 : C C3p_endo anti
+S603 : C C3p_endo anti
+S604 : G C3p_endo anti
+S605 : U C3p_endo anti
+S606 : G C3p_endo anti
+S607 : A C2p_endo anti
+S608 : U C3p_endo anti
+S609 : A C2p_endo anti
+S610 : G C3p_endo anti
+S611 : U C3p_endo anti
+S612 : U C3p_endo anti
+S613 : PSU
+S614 : A C3p_endo anti
+S615 : A C3p_endo anti
+S616 : H2U
+S617 : G C2p_endo anti
+S618 : G C2p_endo anti
+S619 : H2U
+S620 : C C3p_endo anti
+S621 : A C3p_endo anti
+S622 : G C3p_endo anti
+S623 : A C3p_endo anti
+S624 : A C3p_endo anti
+S625 : U C3p_endo anti
+S626 : G C3p_endo anti
+S627 : G C3p_endo anti
+S628 : G C3p_endo anti
+S629 : C C3p_endo anti
+S630 : G C3p_endo anti
+S631 : C C3p_endo anti
+S632 : PSU
+S633 : U C3p_endo anti
+S634 : G C3p_endo anti
+S635 : U C3p_endo anti
+S636 : C C3p_endo anti
+S637 : 1MG
+S638 : C C3p_endo anti
+S639 : G C3p_endo anti
+S640 : U C3p_endo anti
+S641 : G C3p_endo anti
+S642 : C C3p_endo anti
+S643 : C C3p_endo anti
+S644 : A C3p_endo anti
+S645 : G C3p_endo anti
+S646 : A C3p_endo anti
+S648 : U C2p_endo anti
+S649 : 5MC
+S650 : G C3p_endo anti
+S651 : G C3p_endo anti
+S652 : G C3p_endo anti
+S653 : G C3p_endo anti
+S654 : 5MU
+S655 : PSU
+S656 : C C3p_endo anti
+S657 : A C3p_endo anti
+S658 : A C2p_endo syn
+S659 : U C3p_endo anti
+S660 : U C2p_endo anti
+S661 : C C3p_endo anti
+S662 : C C3p_endo anti
+S663 : C C3p_endo anti
+S664 : C C3p_endo anti
+S665 : G C3p_endo anti
+S666 : U C3p_endo anti
+S667 : C C3p_endo anti
+S668 : G C3p_endo anti
+S669 : C C3p_endo anti
+S670 : G C3p_endo anti
+S671 : G C3p_endo anti
+S672 : A C3p_endo anti
+S673 : G C3p_endo anti
+S674 : C C3p_endo anti
+S675 : C C3p_endo anti
+S676 : A C2p_endo anti
+A68 : GLU
+A69 : ASP
+A70 : THR
+A71 : ALA
+A72 : LYS
+A73 : ASP
+A74 : ASN
+A75 : TYR
+A76 : GLY
+A77 : LYS
+A78 : LEU
+A79 : PRO
+A80 : LEU
+A81 : ILE
+A82 : GLN
+A83 : SER
+A84 : ARG
+A85 : ASP
+A86 : SER
+A87 : ASP
+A88 : ARG
+A89 : THR
+A90 : GLY
+A91 : GLN
+A92 : LYS
+A93 : ARG
+A94 : VAL
+A95 : LYS
+A96 : PHE
+A97 : VAL
+A98 : ASP
+A99 : LEU
+A100 : ASP
+A101 : GLU
+A102 : ALA
+A103 : LYS
+A104 : ASP
+A105 : SER
+A106 : ASP
+A107 : LYS
+A108 : GLU
+A109 : VAL
+A110 : LEU
+A111 : PHE
+A112 : ARG
+A113 : ALA
+A114 : ARG
+A115 : VAL
+A116 : HIS
+A117 : ASN
+A118 : THR
+A119 : ARG
+A120 : GLN
+A121 : GLN
+A122 : GLY
+A123 : ALA
+A124 : THR
+A125 : LEU
+A126 : ALA
+A127 : PHE
+A128 : LEU
+A129 : THR
+A130 : LEU
+A131 : ARG
+A132 : GLN
+A133 : GLN
+A134 : ALA
+A135 : SER
+A136 : LEU
+A137 : ILE
+A138 : GLN
+A139 : GLY
+A140 : LEU
+A141 : VAL
+A142 : LYS
+A143 : ALA
+A144 : ASN
+A145 : LYS
+A146 : GLU
+A147 : GLY
+A148 : THR
+A149 : ILE
+A150 : SER
+A151 : LYS
+A152 : ASN
+A153 : MET
+A154 : VAL
+A155 : LYS
+A156 : TRP
+A157 : ALA
+A158 : GLY
+A159 : SER
+A160 : LEU
+A161 : ASN
+A162 : LEU
+A163 : GLU
+A164 : SER
+A165 : ILE
+A166 : VAL
+A167 : LEU
+A168 : VAL
+A169 : ARG
+A170 : GLY
+A171 : ILE
+A172 : VAL
+A173 : LYS
+A174 : LYS
+A175 : VAL
+A176 : ASP
+A177 : GLU
+A178 : PRO
+A179 : ILE
+A180 : LYS
+A181 : SER
+A182 : ALA
+A183 : THR
+A184 : VAL
+A185 : GLN
+A186 : ASN
+A187 : LEU
+A188 : GLU
+A189 : ILE
+A190 : HIS
+A191 : ILE
+A192 : THR
+A193 : LYS
+A194 : ILE
+A195 : TYR
+A196 : THR
+A197 : ILE
+A198 : SER
+A199 : GLU
+A200 : THR
+A201 : PRO
+A202 : GLU
+A203 : ALA
+A204 : LEU
+A205 : PRO
+A206 : ILE
+A207 : LEU
+A208 : LEU
+A209 : GLU
+A210 : ASP
+A211 : ALA
+A212 : SER
+A213 : ARG
+A214 : SER
+A215 : GLU
+A216 : ALA
+A217 : GLU
+A218 : ALA
+A219 : GLU
+A220 : ALA
+A221 : ALA
+A222 : GLY
+A223 : LEU
+A224 : PRO
+A225 : VAL
+A226 : VAL
+A227 : ASN
+A228 : LEU
+A229 : ASP
+A230 : THR
+A231 : ARG
+A232 : LEU
+A233 : ASP
+A234 : TYR
+A235 : ARG
+A236 : VAL
+A237 : ILE
+A238 : ASP
+A239 : LEU
+A240 : ARG
+A241 : THR
+A242 : VAL
+A243 : THR
+A244 : ASN
+A245 : GLN
+A246 : ALA
+A247 : ILE
+A248 : PHE
+A249 : ARG
+A250 : ILE
+A251 : GLN
+A252 : ALA
+A253 : GLY
+A254 : VAL
+A255 : CYS
+A256 : GLU
+A257 : LEU
+A258 : PHE
+A259 : ARG
+A260 : GLU
+A261 : TYR
+A262 : LEU
+A263 : ALA
+A264 : THR
+A265 : LYS
+A266 : LYS
+A267 : PHE
+A268 : THR
+A269 : GLU
+A270 : VAL
+A271 : HIS
+A272 : THR
+A273 : PRO
+A274 : LYS
+A275 : LEU
+A276 : LEU
+A277 : GLY
+A278 : ALA
+A279 : PRO
+A280 : SER
+A281 : GLU
+A282 : GLY
+A283 : GLY
+A284 : SER
+A285 : SER
+A286 : VAL
+A287 : PHE
+A288 : GLU
+A289 : VAL
+A290 : THR
+A291 : TYR
+A292 : PHE
+A293 : LYS
+A294 : GLY
+A295 : LYS
+A296 : ALA
+A297 : TYR
+A298 : LEU
+A299 : ALA
+A300 : GLN
+A301 : SER
+A302 : PRO
+A303 : GLN
+A304 : PHE
+A305 : ASN
+A306 : LYS
+A307 : GLN
+A308 : GLN
+A309 : LEU
+A310 : ILE
+A311 : VAL
+A312 : ALA
+A313 : ASP
+A314 : PHE
+A315 : GLU
+A316 : ARG
+A317 : VAL
+A318 : TYR
+A319 : GLU
+A320 : ILE
+A321 : GLY
+A322 : PRO
+A323 : VAL
+A324 : PHE
+A325 : ARG
+A326 : ALA
+A327 : GLU
+A328 : ASN
+A329 : SER
+A330 : ASN
+A331 : THR
+A332 : HIS
+A333 : ARG
+A334 : HIS
+A335 : MET
+A336 : THR
+A337 : GLU
+A338 : PHE
+A339 : THR
+A340 : GLY
+A341 : LEU
+A342 : ASP
+A343 : MET
+A344 : GLU
+A345 : MET
+A346 : ALA
+A347 : PHE
+A348 : GLU
+A349 : GLU
+A350 : HIS
+A351 : TYR
+A352 : HIS
+A353 : GLU
+A354 : VAL
+A355 : LEU
+A356 : ASP
+A357 : THR
+A358 : LEU
+A359 : SER
+A360 : GLU
+A361 : LEU
+A362 : PHE
+A363 : VAL
+A364 : PHE
+A365 : ILE
+A366 : PHE
+A367 : SER
+A368 : GLU
+A369 : LEU
+A370 : PRO
+A371 : LYS
+A372 : ARG
+A373 : PHE
+A374 : ALA
+A375 : HIS
+A376 : GLU
+A377 : ILE
+A378 : GLU
+A379 : LEU
+A380 : VAL
+A381 : ARG
+A382 : LYS
+A383 : GLN
+A384 : TYR
+A385 : PRO
+A386 : VAL
+A387 : GLU
+A388 : GLU
+A389 : PHE
+A390 : LYS
+A391 : LEU
+A392 : PRO
+A393 : LYS
+A394 : ASP
+A395 : GLY
+A396 : LYS
+A397 : MET
+A398 : VAL
+A399 : ARG
+A400 : LEU
+A401 : THR
+A402 : TYR
+A403 : LYS
+A404 : GLU
+A405 : GLY
+A406 : ILE
+A407 : GLU
+A408 : MET
+A409 : LEU
+A410 : ARG
+A411 : ALA
+A412 : ALA
+A413 : GLY
+A414 : LYS
+A415 : GLU
+A416 : ILE
+A417 : GLY
+A418 : ASP
+A419 : PHE
+A420 : GLU
+A421 : ASP
+A422 : LEU
+A423 : SER
+A424 : THR
+A425 : GLU
+A426 : ASN
+A427 : GLU
+A428 : LYS
+A429 : PHE
+A430 : LEU
+A431 : GLY
+A432 : LYS
+A433 : LEU
+A434 : VAL
+A435 : ARG
+A436 : ASP
+A437 : LYS
+A438 : TYR
+A439 : ASP
+A440 : THR
+A441 : ASP
+A442 : PHE
+A443 : TYR
+A444 : ILE
+A445 : LEU
+A446 : ASP
+A447 : LYS
+A448 : PHE
+A449 : PRO
+A450 : LEU
+A451 : GLU
+A452 : ILE
+A453 : ARG
+A454 : PRO
+A455 : PHE
+A456 : TYR
+A457 : THR
+A458 : MET
+A459 : PRO
+A460 : ASP
+A461 : PRO
+A462 : ALA
+A463 : ASN
+A464 : PRO
+A465 : LYS
+A466 : TYR
+A467 : SER
+A468 : ASN
+A469 : SER
+A470 : TYR
+A471 : ASP
+A472 : PHE
+A473 : PHE
+A474 : MET
+A475 : ARG
+A476 : GLY
+A477 : GLU
+A478 : GLU
+A479 : ILE
+A480 : LEU
+A481 : SER
+A482 : GLY
+A483 : ALA
+A484 : GLN
+A485 : ARG
+A486 : ILE
+A487 : HIS
+A488 : ASP
+A489 : HIS
+A490 : ALA
+A491 : LEU
+A492 : LEU
+A493 : GLN
+A494 : GLU
+A495 : ARG
+A496 : MET
+A497 : LYS
+A498 : ALA
+A499 : HIS
+A500 : GLY
+A501 : LEU
+A502 : SER
+A503 : PRO
+A504 : GLU
+A505 : ASP
+A506 : PRO
+A507 : GLY
+A508 : LEU
+A509 : LYS
+A510 : ASP
+A511 : TYR
+A512 : CYS
+A513 : ASP
+A514 : GLY
+A515 : PHE
+A516 : SER
+A517 : TYR
+A518 : GLY
+A519 : CYS
+A520 : PRO
+A521 : PRO
+A522 : HIS
+A523 : ALA
+A524 : GLY
+A525 : GLY
+A526 : GLY
+A527 : ILE
+A528 : GLY
+A529 : LEU
+A530 : GLU
+A531 : ARG
+A532 : VAL
+A533 : VAL
+A534 : MET
+A535 : PHE
+A536 : TYR
+A537 : LEU
+A538 : ASP
+A539 : LEU
+A540 : LYS
+A541 : ASN
+A542 : ILE
+A543 : ARG
+A544 : ARG
+A545 : ALA
+A546 : SER
+A547 : LEU
+A548 : PHE
+A549 : PRO
+A550 : ARG
+A551 : ASP
+A552 : PRO
+A553 : LYS
+A554 : ARG
+A555 : LEU
+A556 : ARG
+A557 : PRO
+B68 : GLU
+B69 : ASP
+B70 : THR
+B71 : ALA
+B72 : LYS
+B73 : ASP
+B74 : ASN
+B75 : TYR
+B76 : GLY
+B77 : LYS
+B78 : LEU
+B79 : PRO
+B80 : LEU
+B81 : ILE
+B82 : GLN
+B83 : SER
+B84 : ARG
+B85 : ASP
+B86 : SER
+B87 : ASP
+B88 : ARG
+B89 : THR
+B90 : GLY
+B91 : GLN
+B92 : LYS
+B93 : ARG
+B94 : VAL
+B95 : LYS
+B96 : PHE
+B97 : VAL
+B98 : ASP
+B99 : LEU
+B100 : ASP
+B101 : GLU
+B102 : ALA
+B103 : LYS
+B104 : ASP
+B105 : SER
+B106 : ASP
+B107 : LYS
+B108 : GLU
+B109 : VAL
+B110 : LEU
+B111 : PHE
+B112 : ARG
+B113 : ALA
+B114 : ARG
+B115 : VAL
+B116 : HIS
+B117 : ASN
+B118 : THR
+B119 : ARG
+B120 : GLN
+B121 : GLN
+B122 : GLY
+B123 : ALA
+B124 : THR
+B125 : LEU
+B126 : ALA
+B127 : PHE
+B128 : LEU
+B129 : THR
+B130 : LEU
+B131 : ARG
+B132 : GLN
+B133 : GLN
+B134 : ALA
+B135 : SER
+B136 : LEU
+B137 : ILE
+B138 : GLN
+B139 : GLY
+B140 : LEU
+B141 : VAL
+B142 : LYS
+B143 : ALA
+B144 : ASN
+B145 : LYS
+B146 : GLU
+B147 : GLY
+B148 : THR
+B149 : ILE
+B150 : SER
+B151 : LYS
+B152 : ASN
+B153 : MET
+B154 : VAL
+B155 : LYS
+B156 : TRP
+B157 : ALA
+B158 : GLY
+B159 : SER
+B160 : LEU
+B161 : ASN
+B162 : LEU
+B163 : GLU
+B164 : SER
+B165 : ILE
+B166 : VAL
+B167 : LEU
+B168 : VAL
+B169 : ARG
+B170 : GLY
+B171 : ILE
+B172 : VAL
+B173 : LYS
+B174 : LYS
+B175 : VAL
+B176 : ASP
+B177 : GLU
+B178 : PRO
+B179 : ILE
+B180 : LYS
+B181 : SER
+B182 : ALA
+B183 : THR
+B184 : VAL
+B185 : GLN
+B186 : ASN
+B187 : LEU
+B188 : GLU
+B189 : ILE
+B190 : HIS
+B191 : ILE
+B192 : THR
+B193 : LYS
+B194 : ILE
+B195 : TYR
+B196 : THR
+B197 : ILE
+B198 : SER
+B199 : GLU
+B200 : THR
+B201 : PRO
+B202 : GLU
+B203 : ALA
+B204 : LEU
+B205 : PRO
+B206 : ILE
+B207 : LEU
+B208 : LEU
+B209 : GLU
+B210 : ASP
+B211 : ALA
+B212 : SER
+B213 : ARG
+B214 : SER
+B215 : GLU
+B216 : ALA
+B217 : GLU
+B218 : ALA
+B219 : GLU
+B220 : ALA
+B221 : ALA
+B222 : GLY
+B223 : LEU
+B224 : PRO
+B225 : VAL
+B226 : VAL
+B227 : ASN
+B228 : LEU
+B229 : ASP
+B230 : THR
+B231 : ARG
+B232 : LEU
+B233 : ASP
+B234 : TYR
+B235 : ARG
+B236 : VAL
+B237 : ILE
+B238 : ASP
+B239 : LEU
+B240 : ARG
+B241 : THR
+B242 : VAL
+B243 : THR
+B244 : ASN
+B245 : GLN
+B246 : ALA
+B247 : ILE
+B248 : PHE
+B249 : ARG
+B250 : ILE
+B251 : GLN
+B252 : ALA
+B253 : GLY
+B254 : VAL
+B255 : CYS
+B256 : GLU
+B257 : LEU
+B258 : PHE
+B259 : ARG
+B260 : GLU
+B261 : TYR
+B262 : LEU
+B263 : ALA
+B264 : THR
+B265 : LYS
+B266 : LYS
+B267 : PHE
+B268 : THR
+B269 : GLU
+B270 : VAL
+B271 : HIS
+B272 : THR
+B273 : PRO
+B274 : LYS
+B275 : LEU
+B276 : LEU
+B277 : GLY
+B278 : ALA
+B279 : PRO
+B280 : SER
+B281 : GLU
+B282 : GLY
+B283 : GLY
+B284 : SER
+B285 : SER
+B286 : VAL
+B287 : PHE
+B288 : GLU
+B289 : VAL
+B290 : THR
+B291 : TYR
+B292 : PHE
+B293 : LYS
+B294 : GLY
+B295 : LYS
+B296 : ALA
+B297 : TYR
+B298 : LEU
+B299 : ALA
+B300 : GLN
+B301 : SER
+B302 : PRO
+B303 : GLN
+B304 : PHE
+B305 : ASN
+B306 : LYS
+B307 : GLN
+B308 : GLN
+B309 : LEU
+B310 : ILE
+B311 : VAL
+B312 : ALA
+B313 : ASP
+B314 : PHE
+B315 : GLU
+B316 : ARG
+B317 : VAL
+B318 : TYR
+B319 : GLU
+B320 : ILE
+B321 : GLY
+B322 : PRO
+B323 : VAL
+B324 : PHE
+B325 : ARG
+B326 : ALA
+B327 : GLU
+B328 : ASN
+B329 : SER
+B330 : ASN
+B331 : THR
+B332 : HIS
+B333 : ARG
+B334 : HIS
+B335 : MET
+B336 : THR
+B337 : GLU
+B338 : PHE
+B339 : THR
+B340 : GLY
+B341 : LEU
+B342 : ASP
+B343 : MET
+B344 : GLU
+B345 : MET
+B346 : ALA
+B347 : PHE
+B348 : GLU
+B349 : GLU
+B350 : HIS
+B351 : TYR
+B352 : HIS
+B353 : GLU
+B354 : VAL
+B355 : LEU
+B356 : ASP
+B357 : THR
+B358 : LEU
+B359 : SER
+B360 : GLU
+B361 : LEU
+B362 : PHE
+B363 : VAL
+B364 : PHE
+B365 : ILE
+B366 : PHE
+B367 : SER
+B368 : GLU
+B369 : LEU
+B370 : PRO
+B371 : LYS
+B372 : ARG
+B373 : PHE
+B374 : ALA
+B375 : HIS
+B376 : GLU
+B377 : ILE
+B378 : GLU
+B379 : LEU
+B380 : VAL
+B381 : ARG
+B382 : LYS
+B383 : GLN
+B384 : TYR
+B385 : PRO
+B386 : VAL
+B387 : GLU
+B388 : GLU
+B389 : PHE
+B390 : LYS
+B391 : LEU
+B392 : PRO
+B393 : LYS
+B394 : ASP
+B395 : GLY
+B396 : LYS
+B397 : MET
+B398 : VAL
+B399 : ARG
+B400 : LEU
+B401 : THR
+B402 : TYR
+B403 : LYS
+B404 : GLU
+B405 : GLY
+B406 : ILE
+B407 : GLU
+B408 : MET
+B409 : LEU
+B410 : ARG
+B411 : ALA
+B412 : ALA
+B413 : GLY
+B414 : LYS
+B415 : GLU
+B416 : ILE
+B417 : GLY
+B418 : ASP
+B419 : PHE
+B420 : GLU
+B421 : ASP
+B422 : LEU
+B423 : SER
+B424 : THR
+B425 : GLU
+B426 : ASN
+B427 : GLU
+B428 : LYS
+B429 : PHE
+B430 : LEU
+B431 : GLY
+B432 : LYS
+B433 : LEU
+B434 : VAL
+B435 : ARG
+B436 : ASP
+B437 : LYS
+B438 : TYR
+B439 : ASP
+B440 : THR
+B441 : ASP
+B442 : PHE
+B443 : TYR
+B444 : ILE
+B445 : LEU
+B446 : ASP
+B447 : LYS
+B448 : PHE
+B449 : PRO
+B450 : LEU
+B451 : GLU
+B452 : ILE
+B453 : ARG
+B454 : PRO
+B455 : PHE
+B456 : TYR
+B457 : THR
+B458 : MET
+B459 : PRO
+B460 : ASP
+B461 : PRO
+B462 : ALA
+B463 : ASN
+B464 : PRO
+B465 : LYS
+B466 : TYR
+B467 : SER
+B468 : ASN
+B469 : SER
+B470 : TYR
+B471 : ASP
+B472 : PHE
+B473 : PHE
+B474 : MET
+B475 : ARG
+B476 : GLY
+B477 : GLU
+B478 : GLU
+B479 : ILE
+B480 : LEU
+B481 : SER
+B482 : GLY
+B483 : ALA
+B484 : GLN
+B485 : ARG
+B486 : ILE
+B487 : HIS
+B488 : ASP
+B489 : HIS
+B490 : ALA
+B491 : LEU
+B492 : LEU
+B493 : GLN
+B494 : GLU
+B495 : ARG
+B496 : MET
+B497 : LYS
+B498 : ALA
+B499 : HIS
+B500 : GLY
+B501 : LEU
+B502 : SER
+B503 : PRO
+B504 : GLU
+B505 : ASP
+B506 : PRO
+B507 : GLY
+B508 : LEU
+B509 : LYS
+B510 : ASP
+B511 : TYR
+B512 : CYS
+B513 : ASP
+B514 : GLY
+B515 : PHE
+B516 : SER
+B517 : TYR
+B518 : GLY
+B519 : CYS
+B520 : PRO
+B521 : PRO
+B522 : HIS
+B523 : ALA
+B524 : GLY
+B525 : GLY
+B526 : GLY
+B527 : ILE
+B528 : GLY
+B529 : LEU
+B530 : GLU
+B531 : ARG
+B532 : VAL
+B533 : VAL
+B534 : MET
+B535 : PHE
+B536 : TYR
+B537 : LEU
+B538 : ASP
+B539 : LEU
+B540 : LYS
+B541 : ASN
+B542 : ILE
+B543 : ARG
+B544 : ARG
+B545 : ALA
+B546 : SER
+B547 : LEU
+B548 : PHE
+B549 : PRO
+B550 : ARG
+B551 : ASP
+B552 : PRO
+B553 : LYS
+B554 : ARG
+B555 : LEU
+B556 : ARG
+B557 : PRO
+Adjacent stackings ----------------------------------------------
+R602-R603 : adjacent_5p upward 
+R603-R604 : adjacent_5p upward 
+R604-R605 : adjacent_5p upward 
+R605-R606 : adjacent_5p upward 
+R606-R607 : adjacent_5p upward 
+R610-R611 : adjacent_5p upward 
+R611-R612 : adjacent_5p upward 
+R614-R615 : adjacent_5p upward 
+R622-R623 : adjacent_5p upward 
+R623-R624 : adjacent_5p upward 
+R624-R625 : adjacent_5p upward 
+R625-R626 : adjacent_5p upward 
+R626-R627 : adjacent_5p upward 
+R627-R628 : adjacent_5p upward 
+R628-R629 : adjacent_5p upward 
+R630-R631 : adjacent_5p upward 
+R639-R640 : adjacent_5p upward 
+R641-R642 : adjacent_5p upward 
+R643-R644 : adjacent_5p upward 
+R650-R651 : adjacent_5p upward 
+R651-R652 : adjacent_5p upward 
+R652-R653 : adjacent_5p upward 
+R656-R657 : adjacent_5p upward 
+R662-R663 : adjacent_5p upward 
+R663-R664 : adjacent_5p upward 
+R664-R665 : adjacent_5p upward 
+R665-R666 : adjacent_5p upward 
+R666-R667 : adjacent_5p upward 
+R668-R669 : adjacent_5p upward 
+R669-R670 : adjacent_5p upward 
+R670-R671 : adjacent_5p upward 
+R671-R672 : adjacent_5p upward 
+R672-R673 : adjacent_5p upward 
+R673-R674 : adjacent_5p upward 
+R674-R675 : adjacent_5p upward 
+S602-S603 : adjacent_5p upward 
+S603-S604 : adjacent_5p upward 
+S604-S605 : adjacent_5p upward 
+S606-S607 : adjacent_5p upward 
+S610-S611 : adjacent_5p upward 
+S614-S615 : adjacent_5p upward 
+S622-S623 : adjacent_5p upward 
+S623-S624 : adjacent_5p upward 
+S624-S625 : adjacent_5p upward 
+S626-S627 : adjacent_5p upward 
+S627-S628 : adjacent_5p upward 
+S628-S629 : adjacent_5p upward 
+S630-S631 : adjacent_5p upward 
+S635-S636 : adjacent_5p upward 
+S639-S640 : adjacent_5p upward 
+S641-S642 : adjacent_5p upward 
+S642-S643 : adjacent_5p upward 
+S644-S645 : adjacent_5p upward 
+S650-S651 : adjacent_5p upward 
+S651-S652 : adjacent_5p upward 
+S652-S653 : adjacent_5p upward 
+S656-S657 : adjacent_5p upward 
+S659-S660 : adjacent_5p upward 
+S662-S663 : adjacent_5p upward 
+S663-S664 : adjacent_5p upward 
+S664-S665 : adjacent_5p upward 
+S665-S666 : adjacent_5p upward 
+S666-S667 : adjacent_5p upward 
+S668-S669 : adjacent_5p upward 
+S669-S670 : adjacent_5p upward 
+S670-S671 : adjacent_5p upward 
+S671-S672 : adjacent_5p upward 
+S672-S673 : adjacent_5p upward 
+S673-S674 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+R604-R670 : outward 
+R606-R668 : outward 
+R609-R645 : inward 
+R609-R646 : outward 
+R614-R622 : outward 
+R617-R657 : inward 
+R617-R658 : outward pairing 
+R618-R657 : outward 
+R621-R646 : inward 
+R621-R648 : outward 
+R627-R644 : outward 
+R630-R641 : outward 
+R650-R665 : outward 
+R658-R661 : upward 
+S604-S670 : outward 
+S606-S668 : outward 
+S609-S645 : inward pairing 
+S609-S646 : outward 
+S614-S622 : outward 
+S617-S657 : inward pairing 
+S617-S658 : outward pairing 
+S618-S657 : outward 
+S621-S646 : inward 
+S621-S648 : outward pairing 
+S627-S644 : outward 
+S630-S641 : outward 
+S648-S659 : upward 
+S650-S665 : outward 
+S658-S661 : upward 
+Number of stackings = 98
+Number of adjacent stackings = 69
+Number of non adjacent stackings = 29
+Base-pairs ------------------------------------------------------
+R601-R672 : U-A Ww/Ww pairing antiparallel cis XX 
+R602-R671 : C-G Ww/Ww pairing antiparallel cis XIX 
+R603-R670 : C-G Ww/Ww pairing antiparallel cis XIX 
+R604-R669 : G-C Ww/Ww pairing antiparallel cis XIX 
+R605-R668 : U-G Ws/Ww pairing antiparallel cis XXVIII 
+R606-R667 : G-C Ww/Ww pairing antiparallel cis XIX 
+R607-R666 : A-U Ww/Ww pairing antiparallel cis XX 
+R608-R614 : U-A Ws/Hh pairing antiparallel trans XXIV 
+R608-R621 : U-A Ss/Bs pairing parallel trans one_hbond 
+R609-R610 : A-G O2'/Hh adjacent_5p pairing 
+R609-R623 : A-A Hh/Hh pairing parallel trans II 
+R610-R625 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+R610-R645 : G-G Hw/Bs pairing parallel cis one_hbond 113 
+R611-R624 : U-A Ww/Ww pairing antiparallel cis XX 
+R612-R623 : U-A Ww/Ww pairing antiparallel cis XX 
+R614-R621 : A-A Wh/Ss pairing antiparallel cis one_hbond 40 
+R615-R648 : A-U Ww/Ws pairing parallel trans XXI 
+R617-R658 : G-A Bs/O2P outward pairing 
+R618-R656 : G-C Ww/Ww pairing antiparallel cis XIX 
+R622-R646 : G-A Hh/Wh pairing antiparallel trans one_hbond 60 
+R626-R644 : G-A Ww/Ww pairing antiparallel cis VIII 
+R627-R643 : G-C Ww/Ww pairing antiparallel cis XIX 
+R628-R642 : G-C Ww/Ww pairing antiparallel cis XIX 
+R629-R641 : C-G Ww/Ww pairing antiparallel cis one_hbond 
+R630-R640 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+R631-R639 : C-G Ww/Ww pairing antiparallel cis XIX 
+R634-R635 : G-U O2'/Hh adjacent_5p pairing 
+R650-R664 : G-C Ww/Ww pairing antiparallel cis XIX 
+R651-R663 : G-C Ww/Ww pairing antiparallel cis XIX 
+R652-R662 : G-C Ww/Ww pairing antiparallel cis XIX 
+R653-R661 : G-C Ww/Ww pairing antiparallel cis XIX 
+R658-R660 : A-U Ss/Hh pairing antiparallel trans one_hbond 
+R660-R661 : U-C O2P/Bh O2P/Bh adjacent_5p pairing 
+R675-R676 : C-A O2'/Hh adjacent_5p pairing 
+S601-S672 : U-A Ww/Ww pairing antiparallel cis XX 
+S602-S671 : C-G Ww/Ww pairing antiparallel cis XIX 
+S603-S670 : C-G Ww/Ww pairing antiparallel cis XIX 
+S604-S669 : G-C Ww/Ww pairing antiparallel cis XIX 
+S605-S668 : U-G Ws/Ww pairing antiparallel cis XXVIII 
+S606-S667 : G-C Ww/Ww pairing antiparallel cis XIX 
+S607-S666 : A-U Ww/Ww pairing antiparallel cis XX 
+S608-S614 : U-A Ws/Hh pairing antiparallel trans XXIV 
+S608-S621 : U-A Ss/Bs O2'/Ww pairing parallel trans one_hbond 
+S609-S610 : A-G O2'/Hh adjacent_5p pairing 
+S609-S623 : A-A Hh/Hh pairing parallel trans II 
+S609-S645 : A-G O2'/Ss inward pairing 
+S610-S625 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+S610-S645 : G-G Hw/Bs pairing parallel cis one_hbond 113 
+S611-S624 : U-A Ww/Ww pairing antiparallel cis XX 
+S612-S623 : U-A Ww/Ww pairing antiparallel cis XX 
+S614-S621 : A-A Wh/Ss pairing antiparallel cis one_hbond 40 
+S615-S648 : A-U Ww/Ww pairing parallel trans XXI 
+S617-S657 : G-A O2'/Ww inward pairing 
+S617-S658 : G-A Bs/O2P outward pairing 
+S618-S656 : G-C Ww/Ww pairing antiparallel cis XIX 
+S621-S648 : A-U Bh/O2P outward pairing 
+S622-S646 : G-A Hh/Ww pairing antiparallel trans one_hbond 60 
+S625-S645 : U-G Wh/Ws pairing antiparallel cis one_hbond 94 
+S626-S644 : G-A Ww/Ww pairing antiparallel cis VIII 
+S627-S643 : G-C Ww/Ww pairing antiparallel cis XIX 
+S628-S642 : G-C Ww/Ww pairing antiparallel cis XIX 
+S629-S641 : C-G Ww/Ww pairing antiparallel cis XIX 
+S630-S640 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+S631-S639 : C-G Ww/Ww pairing antiparallel cis XIX 
+S650-S664 : G-C Ww/Ww pairing antiparallel cis XIX 
+S651-S663 : G-C Ww/Ww pairing antiparallel cis XIX 
+S652-S662 : G-C Ww/Ww pairing antiparallel cis XIX 
+S653-S661 : G-C Ww/Ww pairing antiparallel cis XIX 
+S660-S661 : U-C O2P/Bh O2P/Bh adjacent_5p pairing 
+S674-S675 : C-C O2P/Bh adjacent_5p pairing 
diff --git a/MCdata/1asz_MC b/MCdata/1asz_MC
new file mode 100644
index 0000000000000000000000000000000000000000..f685af24dfd57d7051f26d29b4b19b26699ecd1f
--- /dev/null
+++ b/MCdata/1asz_MC
@@ -0,0 +1,1306 @@
+Residue conformations -------------------------------------------
+R601 : U C3p_endo anti
+R602 : C C3p_endo anti
+R603 : C C3p_endo anti
+R604 : G C3p_endo anti
+R605 : U C3p_endo anti
+R606 : G C3p_endo anti
+R607 : A C2p_endo anti
+R608 : U C3p_endo anti
+R609 : A C2p_endo anti
+R610 : G C3p_endo anti
+R611 : U C3p_endo anti
+R612 : U C3p_endo anti
+R613 : PSU
+R614 : A C3p_endo anti
+R615 : A C3p_endo anti
+R616 : H2U
+R617 : G C2p_endo anti
+R618 : G C2p_endo syn
+R619 : H2U
+R620 : C C3p_endo anti
+R621 : A C3p_endo anti
+R622 : G C3p_endo anti
+R623 : A C3p_endo anti
+R624 : A C3p_endo anti
+R625 : U C3p_endo anti
+R626 : G C3p_endo anti
+R627 : G C3p_endo anti
+R628 : G C3p_endo anti
+R629 : C C3p_endo anti
+R630 : G C3p_endo anti
+R631 : C C3p_endo anti
+R632 : PSU
+R633 : U C3p_endo anti
+R634 : G C3p_endo anti
+R635 : U C3p_endo anti
+R636 : C C3p_endo anti
+R637 : 1MG
+R638 : C C3p_endo anti
+R639 : G C3p_endo anti
+R640 : U C3p_endo anti
+R641 : G C3p_endo anti
+R642 : C C3p_endo anti
+R643 : C C3p_endo anti
+R644 : A C3p_endo anti
+R645 : G C3p_endo anti
+R646 : A C3p_endo anti
+R648 : U C2p_endo anti
+R649 : 5MC
+R650 : G C3p_endo anti
+R651 : G C3p_endo anti
+R652 : G C3p_endo anti
+R653 : G C3p_endo anti
+R654 : 5MU
+R655 : PSU
+R656 : C C3p_endo anti
+R657 : A C3p_endo anti
+R658 : A C2p_endo syn
+R659 : U C3p_endo anti
+R660 : U C2p_endo syn
+R661 : C C3p_endo anti
+R662 : C C3p_endo anti
+R663 : C C3p_endo anti
+R664 : C C3p_endo anti
+R665 : G C3p_endo anti
+R666 : U C3p_endo anti
+R667 : C C3p_endo anti
+R668 : G C3p_endo anti
+R669 : C C3p_endo anti
+R670 : G C3p_endo anti
+R671 : G C3p_endo anti
+R672 : A C3p_endo anti
+R673 : G C3p_endo anti
+R674 : C C3p_endo anti
+R675 : C C3p_endo anti
+R676 : A C2p_endo anti
+S601 : U C3p_endo anti
+S602 : C C3p_endo anti
+S603 : C C3p_endo anti
+S604 : G C3p_endo anti
+S605 : U C3p_endo anti
+S606 : G C3p_endo anti
+S607 : A C2p_endo anti
+S608 : U C3p_endo anti
+S609 : A C2p_endo anti
+S610 : G C3p_endo anti
+S611 : U C3p_endo anti
+S612 : U C3p_endo anti
+S613 : PSU
+S614 : A C3p_endo anti
+S615 : A C3p_endo anti
+S616 : H2U
+S617 : G C2p_endo anti
+S618 : G C2p_endo syn
+S619 : H2U
+S620 : C C3p_endo anti
+S621 : A C3p_endo anti
+S622 : G C3p_endo anti
+S623 : A C3p_endo anti
+S624 : A C3p_endo anti
+S625 : U C3p_endo anti
+S626 : G C3p_endo anti
+S627 : G C3p_endo anti
+S628 : G C3p_endo anti
+S629 : C C3p_endo anti
+S630 : G C3p_endo anti
+S631 : C C3p_endo anti
+S632 : PSU
+S633 : U C3p_endo anti
+S634 : G C3p_endo anti
+S635 : U C3p_endo anti
+S636 : C C3p_endo anti
+S637 : 1MG
+S638 : C C3p_endo anti
+S639 : G C3p_endo anti
+S640 : U C3p_endo anti
+S641 : G C3p_endo anti
+S642 : C C3p_endo anti
+S643 : C C3p_endo anti
+S644 : A C3p_endo anti
+S645 : G C3p_endo anti
+S646 : A C3p_endo anti
+S648 : U C2p_endo anti
+S649 : 5MC
+S650 : G C3p_endo anti
+S651 : G C3p_endo anti
+S652 : G C3p_endo anti
+S653 : G C3p_endo anti
+S654 : 5MU
+S655 : PSU
+S656 : C C3p_endo anti
+S657 : A C3p_endo anti
+S658 : A C2p_endo syn
+S659 : U C3p_endo anti
+S660 : U C2p_endo anti
+S661 : C C3p_endo anti
+S662 : C C3p_endo anti
+S663 : C C3p_endo anti
+S664 : C C3p_endo anti
+S665 : G C3p_endo anti
+S666 : U C3p_endo anti
+S667 : C C3p_endo anti
+S668 : G C3p_endo anti
+S669 : C C3p_endo anti
+S670 : G C3p_endo anti
+S671 : G C3p_endo anti
+S672 : A C3p_endo anti
+S673 : G C3p_endo anti
+S674 : C C3p_endo anti
+S675 : C C3p_endo anti
+S676 : A C2p_endo anti
+A68 : GLU
+A69 : ASP
+A70 : THR
+A71 : ALA
+A72 : LYS
+A73 : ASP
+A74 : ASN
+A75 : TYR
+A76 : GLY
+A77 : LYS
+A78 : LEU
+A79 : PRO
+A80 : LEU
+A81 : ILE
+A82 : GLN
+A83 : SER
+A84 : ARG
+A85 : ASP
+A86 : SER
+A87 : ASP
+A88 : ARG
+A89 : THR
+A90 : GLY
+A91 : GLN
+A92 : LYS
+A93 : ARG
+A94 : VAL
+A95 : LYS
+A96 : PHE
+A97 : VAL
+A98 : ASP
+A99 : LEU
+A100 : ASP
+A101 : GLU
+A102 : ALA
+A103 : LYS
+A104 : ASP
+A105 : SER
+A106 : ASP
+A107 : LYS
+A108 : GLU
+A109 : VAL
+A110 : LEU
+A111 : PHE
+A112 : ARG
+A113 : ALA
+A114 : ARG
+A115 : VAL
+A116 : HIS
+A117 : ASN
+A118 : THR
+A119 : ARG
+A120 : GLN
+A121 : GLN
+A122 : GLY
+A123 : ALA
+A124 : THR
+A125 : LEU
+A126 : ALA
+A127 : PHE
+A128 : LEU
+A129 : THR
+A130 : LEU
+A131 : ARG
+A132 : GLN
+A133 : GLN
+A134 : ALA
+A135 : SER
+A136 : LEU
+A137 : ILE
+A138 : GLN
+A139 : GLY
+A140 : LEU
+A141 : VAL
+A142 : LYS
+A143 : ALA
+A144 : ASN
+A145 : LYS
+A146 : GLU
+A147 : GLY
+A148 : THR
+A149 : ILE
+A150 : SER
+A151 : LYS
+A152 : ASN
+A153 : MET
+A154 : VAL
+A155 : LYS
+A156 : TRP
+A157 : ALA
+A158 : GLY
+A159 : SER
+A160 : LEU
+A161 : ASN
+A162 : LEU
+A163 : GLU
+A164 : SER
+A165 : ILE
+A166 : VAL
+A167 : LEU
+A168 : VAL
+A169 : ARG
+A170 : GLY
+A171 : ILE
+A172 : VAL
+A173 : LYS
+A174 : LYS
+A175 : VAL
+A176 : ASP
+A177 : GLU
+A178 : PRO
+A179 : ILE
+A180 : LYS
+A181 : SER
+A182 : ALA
+A183 : THR
+A184 : VAL
+A185 : GLN
+A186 : ASN
+A187 : LEU
+A188 : GLU
+A189 : ILE
+A190 : HIS
+A191 : ILE
+A192 : THR
+A193 : LYS
+A194 : ILE
+A195 : TYR
+A196 : THR
+A197 : ILE
+A198 : SER
+A199 : GLU
+A200 : THR
+A201 : PRO
+A202 : GLU
+A203 : ALA
+A204 : LEU
+A205 : PRO
+A206 : ILE
+A207 : LEU
+A208 : LEU
+A209 : GLU
+A210 : ASP
+A211 : ALA
+A212 : SER
+A213 : ARG
+A214 : SER
+A215 : GLU
+A216 : ALA
+A217 : GLU
+A218 : ALA
+A219 : GLU
+A220 : ALA
+A221 : ALA
+A222 : GLY
+A223 : LEU
+A224 : PRO
+A225 : VAL
+A226 : VAL
+A227 : ASN
+A228 : LEU
+A229 : ASP
+A230 : THR
+A231 : ARG
+A232 : LEU
+A233 : ASP
+A234 : TYR
+A235 : ARG
+A236 : VAL
+A237 : ILE
+A238 : ASP
+A239 : LEU
+A240 : ARG
+A241 : THR
+A242 : VAL
+A243 : THR
+A244 : ASN
+A245 : GLN
+A246 : ALA
+A247 : ILE
+A248 : PHE
+A249 : ARG
+A250 : ILE
+A251 : GLN
+A252 : ALA
+A253 : GLY
+A254 : VAL
+A255 : CYS
+A256 : GLU
+A257 : LEU
+A258 : PHE
+A259 : ARG
+A260 : GLU
+A261 : TYR
+A262 : LEU
+A263 : ALA
+A264 : THR
+A265 : LYS
+A266 : LYS
+A267 : PHE
+A268 : THR
+A269 : GLU
+A270 : VAL
+A271 : HIS
+A272 : THR
+A273 : PRO
+A274 : LYS
+A275 : LEU
+A276 : LEU
+A277 : GLY
+A278 : ALA
+A279 : PRO
+A280 : SER
+A281 : GLU
+A282 : GLY
+A283 : GLY
+A284 : SER
+A285 : SER
+A286 : VAL
+A287 : PHE
+A288 : GLU
+A289 : VAL
+A290 : THR
+A291 : TYR
+A292 : PHE
+A293 : LYS
+A294 : GLY
+A295 : LYS
+A296 : ALA
+A297 : TYR
+A298 : LEU
+A299 : ALA
+A300 : GLN
+A301 : SER
+A302 : PRO
+A303 : GLN
+A304 : PHE
+A305 : ASN
+A306 : LYS
+A307 : GLN
+A308 : GLN
+A309 : LEU
+A310 : ILE
+A311 : VAL
+A312 : ALA
+A313 : ASP
+A314 : PHE
+A315 : GLU
+A316 : ARG
+A317 : VAL
+A318 : TYR
+A319 : GLU
+A320 : ILE
+A321 : GLY
+A322 : PRO
+A323 : VAL
+A324 : PHE
+A325 : ARG
+A326 : ALA
+A327 : GLU
+A328 : ASN
+A329 : SER
+A330 : ASN
+A331 : THR
+A332 : HIS
+A333 : ARG
+A334 : HIS
+A335 : MET
+A336 : THR
+A337 : GLU
+A338 : PHE
+A339 : THR
+A340 : GLY
+A341 : LEU
+A342 : ASP
+A343 : MET
+A344 : GLU
+A345 : MET
+A346 : ALA
+A347 : PHE
+A348 : GLU
+A349 : GLU
+A350 : HIS
+A351 : TYR
+A352 : HIS
+A353 : GLU
+A354 : VAL
+A355 : LEU
+A356 : ASP
+A357 : THR
+A358 : LEU
+A359 : SER
+A360 : GLU
+A361 : LEU
+A362 : PHE
+A363 : VAL
+A364 : PHE
+A365 : ILE
+A366 : PHE
+A367 : SER
+A368 : GLU
+A369 : LEU
+A370 : PRO
+A371 : LYS
+A372 : ARG
+A373 : PHE
+A374 : ALA
+A375 : HIS
+A376 : GLU
+A377 : ILE
+A378 : GLU
+A379 : LEU
+A380 : VAL
+A381 : ARG
+A382 : LYS
+A383 : GLN
+A384 : TYR
+A385 : PRO
+A386 : VAL
+A387 : GLU
+A388 : GLU
+A389 : PHE
+A390 : LYS
+A391 : LEU
+A392 : PRO
+A393 : LYS
+A394 : ASP
+A395 : GLY
+A396 : LYS
+A397 : MET
+A398 : VAL
+A399 : ARG
+A400 : LEU
+A401 : THR
+A402 : TYR
+A403 : LYS
+A404 : GLU
+A405 : GLY
+A406 : ILE
+A407 : GLU
+A408 : MET
+A409 : LEU
+A410 : ARG
+A411 : ALA
+A412 : ALA
+A413 : GLY
+A414 : LYS
+A415 : GLU
+A416 : ILE
+A417 : GLY
+A418 : ASP
+A419 : PHE
+A420 : GLU
+A421 : ASP
+A422 : LEU
+A423 : SER
+A424 : THR
+A425 : GLU
+A426 : ASN
+A427 : GLU
+A428 : LYS
+A429 : PHE
+A430 : LEU
+A431 : GLY
+A432 : LYS
+A433 : LEU
+A434 : VAL
+A435 : ARG
+A436 : ASP
+A437 : LYS
+A438 : TYR
+A439 : ASP
+A440 : THR
+A441 : ASP
+A442 : PHE
+A443 : TYR
+A444 : ILE
+A445 : LEU
+A446 : ASP
+A447 : LYS
+A448 : PHE
+A449 : PRO
+A450 : LEU
+A451 : GLU
+A452 : ILE
+A453 : ARG
+A454 : PRO
+A455 : PHE
+A456 : TYR
+A457 : THR
+A458 : MET
+A459 : PRO
+A460 : ASP
+A461 : PRO
+A462 : ALA
+A463 : ASN
+A464 : PRO
+A465 : LYS
+A466 : TYR
+A467 : SER
+A468 : ASN
+A469 : SER
+A470 : TYR
+A471 : ASP
+A472 : PHE
+A473 : PHE
+A474 : MET
+A475 : ARG
+A476 : GLY
+A477 : GLU
+A478 : GLU
+A479 : ILE
+A480 : LEU
+A481 : SER
+A482 : GLY
+A483 : ALA
+A484 : GLN
+A485 : ARG
+A486 : ILE
+A487 : HIS
+A488 : ASP
+A489 : HIS
+A490 : ALA
+A491 : LEU
+A492 : LEU
+A493 : GLN
+A494 : GLU
+A495 : ARG
+A496 : MET
+A497 : LYS
+A498 : ALA
+A499 : HIS
+A500 : GLY
+A501 : LEU
+A502 : SER
+A503 : PRO
+A504 : GLU
+A505 : ASP
+A506 : PRO
+A507 : GLY
+A508 : LEU
+A509 : LYS
+A510 : ASP
+A511 : TYR
+A512 : CYS
+A513 : ASP
+A514 : GLY
+A515 : PHE
+A516 : SER
+A517 : TYR
+A518 : GLY
+A519 : CYS
+A520 : PRO
+A521 : PRO
+A522 : HIS
+A523 : ALA
+A524 : GLY
+A525 : GLY
+A526 : GLY
+A527 : ILE
+A528 : GLY
+A529 : LEU
+A530 : GLU
+A531 : ARG
+A532 : VAL
+A533 : VAL
+A534 : MET
+A535 : PHE
+A536 : TYR
+A537 : LEU
+A538 : ASP
+A539 : LEU
+A540 : LYS
+A541 : ASN
+A542 : ILE
+A543 : ARG
+A544 : ARG
+A545 : ALA
+A546 : SER
+A547 : LEU
+A548 : PHE
+A549 : PRO
+A550 : ARG
+A551 : ASP
+A552 : PRO
+A553 : LYS
+A554 : ARG
+A555 : LEU
+A556 : ARG
+A557 : PRO
+B68 : GLU
+B69 : ASP
+B70 : THR
+B71 : ALA
+B72 : LYS
+B73 : ASP
+B74 : ASN
+B75 : TYR
+B76 : GLY
+B77 : LYS
+B78 : LEU
+B79 : PRO
+B80 : LEU
+B81 : ILE
+B82 : GLN
+B83 : SER
+B84 : ARG
+B85 : ASP
+B86 : SER
+B87 : ASP
+B88 : ARG
+B89 : THR
+B90 : GLY
+B91 : GLN
+B92 : LYS
+B93 : ARG
+B94 : VAL
+B95 : LYS
+B96 : PHE
+B97 : VAL
+B98 : ASP
+B99 : LEU
+B100 : ASP
+B101 : GLU
+B102 : ALA
+B103 : LYS
+B104 : ASP
+B105 : SER
+B106 : ASP
+B107 : LYS
+B108 : GLU
+B109 : VAL
+B110 : LEU
+B111 : PHE
+B112 : ARG
+B113 : ALA
+B114 : ARG
+B115 : VAL
+B116 : HIS
+B117 : ASN
+B118 : THR
+B119 : ARG
+B120 : GLN
+B121 : GLN
+B122 : GLY
+B123 : ALA
+B124 : THR
+B125 : LEU
+B126 : ALA
+B127 : PHE
+B128 : LEU
+B129 : THR
+B130 : LEU
+B131 : ARG
+B132 : GLN
+B133 : GLN
+B134 : ALA
+B135 : SER
+B136 : LEU
+B137 : ILE
+B138 : GLN
+B139 : GLY
+B140 : LEU
+B141 : VAL
+B142 : LYS
+B143 : ALA
+B144 : ASN
+B145 : LYS
+B146 : GLU
+B147 : GLY
+B148 : THR
+B149 : ILE
+B150 : SER
+B151 : LYS
+B152 : ASN
+B153 : MET
+B154 : VAL
+B155 : LYS
+B156 : TRP
+B157 : ALA
+B158 : GLY
+B159 : SER
+B160 : LEU
+B161 : ASN
+B162 : LEU
+B163 : GLU
+B164 : SER
+B165 : ILE
+B166 : VAL
+B167 : LEU
+B168 : VAL
+B169 : ARG
+B170 : GLY
+B171 : ILE
+B172 : VAL
+B173 : LYS
+B174 : LYS
+B175 : VAL
+B176 : ASP
+B177 : GLU
+B178 : PRO
+B179 : ILE
+B180 : LYS
+B181 : SER
+B182 : ALA
+B183 : THR
+B184 : VAL
+B185 : GLN
+B186 : ASN
+B187 : LEU
+B188 : GLU
+B189 : ILE
+B190 : HIS
+B191 : ILE
+B192 : THR
+B193 : LYS
+B194 : ILE
+B195 : TYR
+B196 : THR
+B197 : ILE
+B198 : SER
+B199 : GLU
+B200 : THR
+B201 : PRO
+B202 : GLU
+B203 : ALA
+B204 : LEU
+B205 : PRO
+B206 : ILE
+B207 : LEU
+B208 : LEU
+B209 : GLU
+B210 : ASP
+B211 : ALA
+B212 : SER
+B213 : ARG
+B214 : SER
+B215 : GLU
+B216 : ALA
+B217 : GLU
+B218 : ALA
+B219 : GLU
+B220 : ALA
+B221 : ALA
+B222 : GLY
+B223 : LEU
+B224 : PRO
+B225 : VAL
+B226 : VAL
+B227 : ASN
+B228 : LEU
+B229 : ASP
+B230 : THR
+B231 : ARG
+B232 : LEU
+B233 : ASP
+B234 : TYR
+B235 : ARG
+B236 : VAL
+B237 : ILE
+B238 : ASP
+B239 : LEU
+B240 : ARG
+B241 : THR
+B242 : VAL
+B243 : THR
+B244 : ASN
+B245 : GLN
+B246 : ALA
+B247 : ILE
+B248 : PHE
+B249 : ARG
+B250 : ILE
+B251 : GLN
+B252 : ALA
+B253 : GLY
+B254 : VAL
+B255 : CYS
+B256 : GLU
+B257 : LEU
+B258 : PHE
+B259 : ARG
+B260 : GLU
+B261 : TYR
+B262 : LEU
+B263 : ALA
+B264 : THR
+B265 : LYS
+B266 : LYS
+B267 : PHE
+B268 : THR
+B269 : GLU
+B270 : VAL
+B271 : HIS
+B272 : THR
+B273 : PRO
+B274 : LYS
+B275 : LEU
+B276 : LEU
+B277 : GLY
+B278 : ALA
+B279 : PRO
+B280 : SER
+B281 : GLU
+B282 : GLY
+B283 : GLY
+B284 : SER
+B285 : SER
+B286 : VAL
+B287 : PHE
+B288 : GLU
+B289 : VAL
+B290 : THR
+B291 : TYR
+B292 : PHE
+B293 : LYS
+B294 : GLY
+B295 : LYS
+B296 : ALA
+B297 : TYR
+B298 : LEU
+B299 : ALA
+B300 : GLN
+B301 : SER
+B302 : PRO
+B303 : GLN
+B304 : PHE
+B305 : ASN
+B306 : LYS
+B307 : GLN
+B308 : GLN
+B309 : LEU
+B310 : ILE
+B311 : VAL
+B312 : ALA
+B313 : ASP
+B314 : PHE
+B315 : GLU
+B316 : ARG
+B317 : VAL
+B318 : TYR
+B319 : GLU
+B320 : ILE
+B321 : GLY
+B322 : PRO
+B323 : VAL
+B324 : PHE
+B325 : ARG
+B326 : ALA
+B327 : GLU
+B328 : ASN
+B329 : SER
+B330 : ASN
+B331 : THR
+B332 : HIS
+B333 : ARG
+B334 : HIS
+B335 : MET
+B336 : THR
+B337 : GLU
+B338 : PHE
+B339 : THR
+B340 : GLY
+B341 : LEU
+B342 : ASP
+B343 : MET
+B344 : GLU
+B345 : MET
+B346 : ALA
+B347 : PHE
+B348 : GLU
+B349 : GLU
+B350 : HIS
+B351 : TYR
+B352 : HIS
+B353 : GLU
+B354 : VAL
+B355 : LEU
+B356 : ASP
+B357 : THR
+B358 : LEU
+B359 : SER
+B360 : GLU
+B361 : LEU
+B362 : PHE
+B363 : VAL
+B364 : PHE
+B365 : ILE
+B366 : PHE
+B367 : SER
+B368 : GLU
+B369 : LEU
+B370 : PRO
+B371 : LYS
+B372 : ARG
+B373 : PHE
+B374 : ALA
+B375 : HIS
+B376 : GLU
+B377 : ILE
+B378 : GLU
+B379 : LEU
+B380 : VAL
+B381 : ARG
+B382 : LYS
+B383 : GLN
+B384 : TYR
+B385 : PRO
+B386 : VAL
+B387 : GLU
+B388 : GLU
+B389 : PHE
+B390 : LYS
+B391 : LEU
+B392 : PRO
+B393 : LYS
+B394 : ASP
+B395 : GLY
+B396 : LYS
+B397 : MET
+B398 : VAL
+B399 : ARG
+B400 : LEU
+B401 : THR
+B402 : TYR
+B403 : LYS
+B404 : GLU
+B405 : GLY
+B406 : ILE
+B407 : GLU
+B408 : MET
+B409 : LEU
+B410 : ARG
+B411 : ALA
+B412 : ALA
+B413 : GLY
+B414 : LYS
+B415 : GLU
+B416 : ILE
+B417 : GLY
+B418 : ASP
+B419 : PHE
+B420 : GLU
+B421 : ASP
+B422 : LEU
+B423 : SER
+B424 : THR
+B425 : GLU
+B426 : ASN
+B427 : GLU
+B428 : LYS
+B429 : PHE
+B430 : LEU
+B431 : GLY
+B432 : LYS
+B433 : LEU
+B434 : VAL
+B435 : ARG
+B436 : ASP
+B437 : LYS
+B438 : TYR
+B439 : ASP
+B440 : THR
+B441 : ASP
+B442 : PHE
+B443 : TYR
+B444 : ILE
+B445 : LEU
+B446 : ASP
+B447 : LYS
+B448 : PHE
+B449 : PRO
+B450 : LEU
+B451 : GLU
+B452 : ILE
+B453 : ARG
+B454 : PRO
+B455 : PHE
+B456 : TYR
+B457 : THR
+B458 : MET
+B459 : PRO
+B460 : ASP
+B461 : PRO
+B462 : ALA
+B463 : ASN
+B464 : PRO
+B465 : LYS
+B466 : TYR
+B467 : SER
+B468 : ASN
+B469 : SER
+B470 : TYR
+B471 : ASP
+B472 : PHE
+B473 : PHE
+B474 : MET
+B475 : ARG
+B476 : GLY
+B477 : GLU
+B478 : GLU
+B479 : ILE
+B480 : LEU
+B481 : SER
+B482 : GLY
+B483 : ALA
+B484 : GLN
+B485 : ARG
+B486 : ILE
+B487 : HIS
+B488 : ASP
+B489 : HIS
+B490 : ALA
+B491 : LEU
+B492 : LEU
+B493 : GLN
+B494 : GLU
+B495 : ARG
+B496 : MET
+B497 : LYS
+B498 : ALA
+B499 : HIS
+B500 : GLY
+B501 : LEU
+B502 : SER
+B503 : PRO
+B504 : GLU
+B505 : ASP
+B506 : PRO
+B507 : GLY
+B508 : LEU
+B509 : LYS
+B510 : ASP
+B511 : TYR
+B512 : CYS
+B513 : ASP
+B514 : GLY
+B515 : PHE
+B516 : SER
+B517 : TYR
+B518 : GLY
+B519 : CYS
+B520 : PRO
+B521 : PRO
+B522 : HIS
+B523 : ALA
+B524 : GLY
+B525 : GLY
+B526 : GLY
+B527 : ILE
+B528 : GLY
+B529 : LEU
+B530 : GLU
+B531 : ARG
+B532 : VAL
+B533 : VAL
+B534 : MET
+B535 : PHE
+B536 : TYR
+B537 : LEU
+B538 : ASP
+B539 : LEU
+B540 : LYS
+B541 : ASN
+B542 : ILE
+B543 : ARG
+B544 : ARG
+B545 : ALA
+B546 : SER
+B547 : LEU
+B548 : PHE
+B549 : PRO
+B550 : ARG
+B551 : ASP
+B552 : PRO
+B553 : LYS
+B554 : ARG
+B555 : LEU
+B556 : ARG
+B557 : PRO
+A701 : ATP
+B701 : ATP
+Adjacent stackings ----------------------------------------------
+R602-R603 : adjacent_5p upward 
+R603-R604 : adjacent_5p upward 
+R604-R605 : adjacent_5p upward 
+R606-R607 : adjacent_5p upward 
+R610-R611 : adjacent_5p upward 
+R611-R612 : adjacent_5p upward 
+R614-R615 : adjacent_5p upward 
+R622-R623 : adjacent_5p upward 
+R623-R624 : adjacent_5p upward 
+R624-R625 : adjacent_5p upward 
+R625-R626 : adjacent_5p upward 
+R626-R627 : adjacent_5p upward 
+R627-R628 : adjacent_5p upward 
+R628-R629 : adjacent_5p upward 
+R630-R631 : adjacent_5p upward 
+R635-R636 : adjacent_5p upward 
+R639-R640 : adjacent_5p upward 
+R641-R642 : adjacent_5p upward 
+R642-R643 : adjacent_5p upward 
+R644-R645 : adjacent_5p upward 
+R650-R651 : adjacent_5p upward 
+R651-R652 : adjacent_5p upward 
+R652-R653 : adjacent_5p upward 
+R656-R657 : adjacent_5p upward 
+R663-R664 : adjacent_5p upward 
+R664-R665 : adjacent_5p upward 
+R665-R666 : adjacent_5p upward 
+R666-R667 : adjacent_5p upward 
+R668-R669 : adjacent_5p upward 
+R669-R670 : adjacent_5p upward 
+R670-R671 : adjacent_5p upward 
+R671-R672 : adjacent_5p upward 
+R672-R673 : adjacent_5p upward 
+R673-R674 : adjacent_5p upward 
+R674-R675 : adjacent_5p upward pairing 
+S601-S602 : adjacent_5p upward 
+S602-S603 : adjacent_5p upward 
+S603-S604 : adjacent_5p upward 
+S604-S605 : adjacent_5p upward 
+S605-S606 : adjacent_5p upward 
+S606-S607 : adjacent_5p upward 
+S610-S611 : adjacent_5p upward 
+S614-S615 : adjacent_5p upward 
+S622-S623 : adjacent_5p upward 
+S623-S624 : adjacent_5p upward 
+S624-S625 : adjacent_5p upward 
+S625-S626 : adjacent_5p upward 
+S626-S627 : adjacent_5p upward 
+S627-S628 : adjacent_5p upward 
+S628-S629 : adjacent_5p upward 
+S630-S631 : adjacent_5p upward 
+S638-S639 : adjacent_5p upward 
+S639-S640 : adjacent_5p upward 
+S641-S642 : adjacent_5p upward 
+S644-S645 : adjacent_5p upward 
+S650-S651 : adjacent_5p upward 
+S651-S652 : adjacent_5p upward 
+S652-S653 : adjacent_5p upward 
+S656-S657 : adjacent_5p upward 
+S659-S660 : adjacent_5p upward 
+S661-S662 : adjacent_5p upward 
+S662-S663 : adjacent_5p upward 
+S663-S664 : adjacent_5p upward 
+S664-S665 : adjacent_5p upward 
+S665-S666 : adjacent_5p upward 
+S666-S667 : adjacent_5p upward 
+S668-S669 : adjacent_5p upward 
+S669-S670 : adjacent_5p upward 
+S670-S671 : adjacent_5p upward 
+S671-S672 : adjacent_5p upward 
+S672-S673 : adjacent_5p upward 
+S673-S674 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+R604-R670 : outward 
+R606-R668 : outward 
+R609-R645 : inward 
+R609-R646 : outward 
+R614-R622 : outward 
+R617-R657 : inward 
+R617-R658 : outward 
+R618-R657 : outward 
+R621-R646 : inward 
+R621-R648 : outward pairing 
+R627-R644 : outward 
+R630-R641 : outward 
+R648-R659 : upward 
+R650-R665 : outward 
+R658-R661 : upward 
+S604-S670 : outward 
+S606-S668 : outward 
+S609-S645 : inward 
+S609-S646 : outward 
+S614-S622 : outward 
+S617-S657 : inward pairing 
+S617-S658 : outward 
+S618-S657 : outward 
+S621-S646 : inward 
+S621-S648 : outward 
+S627-S644 : outward 
+S630-S641 : outward 
+S648-S659 : upward 
+S650-S665 : outward 
+S658-S661 : upward 
+Number of stackings = 102
+Number of adjacent stackings = 72
+Number of non adjacent stackings = 30
+Base-pairs ------------------------------------------------------
+R601-R672 : U-A Ww/Ww pairing antiparallel cis XX 
+R602-R671 : C-G Ww/Ww pairing antiparallel cis XIX 
+R603-R670 : C-G Ww/Ww pairing antiparallel cis XIX 
+R604-R669 : G-C Ww/Ww pairing antiparallel cis XIX 
+R605-R668 : U-G Ws/Ww pairing antiparallel cis XXVIII 
+R606-R667 : G-C Ww/Ww pairing antiparallel cis XIX 
+R607-R666 : A-U Ww/Ww pairing antiparallel cis XX 
+R608-R614 : U-A Ws/Hh pairing antiparallel trans XXIV 
+R608-R621 : U-A Ss/Bs pairing parallel trans one_hbond 
+R609-R610 : A-G O2'/Hh adjacent_5p pairing 
+R609-R623 : A-A Hh/Hh pairing parallel trans II 
+R610-R625 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+R610-R645 : G-G Hw/Bs pairing parallel cis one_hbond 113 
+R611-R624 : U-A Ww/Ww pairing antiparallel cis XX 
+R612-R623 : U-A Ww/Ww pairing antiparallel cis XX 
+R614-R621 : A-A Wh/Ss Ww/O2' pairing antiparallel cis one_hbond 40 
+R615-R648 : A-U Ww/Ws pairing parallel trans XXI 
+R618-R656 : G-C Ww/Ww pairing antiparallel cis XIX 
+R621-R648 : A-U Bh/O2P outward pairing 
+R622-R646 : G-A Hh/Wh pairing antiparallel trans one_hbond 60 
+R626-R644 : G-A Wh/Wh pairing antiparallel cis one_hbond 
+R627-R643 : G-C Ww/Ww pairing antiparallel cis XIX 
+R628-R642 : G-C Ww/Ww pairing antiparallel cis XIX 
+R629-R641 : C-G Ww/Ww pairing antiparallel cis 
+R630-R640 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+R631-R639 : C-G Ww/Ww pairing antiparallel cis XIX 
+R650-R664 : G-C Ww/Ww pairing antiparallel cis XIX 
+R651-R663 : G-C Ww/Ww pairing antiparallel cis XIX 
+R652-R662 : G-C Ww/Ww pairing antiparallel cis XIX 
+R653-R661 : G-C Ww/Ww pairing antiparallel cis XIX 
+R658-R660 : A-U Ss/Hh pairing antiparallel trans one_hbond 
+R660-R661 : U-C O2P/Bh O2P/Bh adjacent_5p pairing 
+R674-R675 : C-C O2P/Bh adjacent_5p upward pairing 
+S601-S672 : U-A Ww/Ww pairing antiparallel cis XX 
+S602-S671 : C-G Ww/Ww pairing antiparallel cis XIX 
+S603-S670 : C-G Ww/Ww pairing antiparallel cis XIX 
+S604-S669 : G-C Ww/Ww pairing antiparallel cis XIX 
+S605-S668 : U-G Ws/Ww pairing antiparallel cis XXVIII 
+S606-S667 : G-C Ww/Ww pairing antiparallel cis XIX 
+S607-S666 : A-U Ww/Ww pairing antiparallel cis XX 
+S608-S614 : U-A Ws/Hh pairing antiparallel trans XXIV 
+S608-S621 : U-A O2'/Ww pairing 
+S608-S646 : U-A O2'/Ss pairing 
+S609-S610 : A-G O2'/Hh adjacent_5p pairing 
+S609-S623 : A-A Hh/Hh pairing parallel trans II 
+S610-S625 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+S610-S645 : G-G Hw/Bs pairing parallel cis one_hbond 113 
+S611-S624 : U-A Ww/Ww pairing antiparallel cis XX 
+S612-S623 : U-A Ww/Ww pairing antiparallel cis XX 
+S614-S621 : A-A Wh/Ss Ww/O2' pairing antiparallel cis one_hbond 40 
+S615-S648 : A-U Ww/Ws pairing parallel trans XXI 
+S617-S657 : G-A O2'/Ww inward pairing 
+S618-S656 : G-C Ww/Ww pairing antiparallel cis XIX 
+S622-S646 : G-A Hh/Ww pairing antiparallel trans 60 
+S626-S644 : G-A Ww/Ww pairing antiparallel cis VIII 
+S627-S643 : G-C Ww/Ww pairing antiparallel cis XIX 
+S628-S642 : G-C Ww/Ww pairing antiparallel cis XIX 
+S629-S641 : C-G Ww/Ww pairing antiparallel cis XIX 
+S630-S640 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+S631-S639 : C-G Ww/Ww pairing antiparallel cis XIX 
+S650-S664 : G-C Ww/Ww pairing antiparallel cis XIX 
+S651-S663 : G-C Ww/Ww pairing antiparallel cis XIX 
+S652-S662 : G-C Ww/Ww pairing antiparallel cis XIX 
+S653-S661 : G-C Ww/Ww pairing antiparallel cis XIX 
+S660-S661 : U-C O2P/Bh O2P/Bh adjacent_5p pairing 
diff --git a/MCdata/1ato_MC b/MCdata/1ato_MC
new file mode 100644
index 0000000000000000000000000000000000000000..2484919739ca2be953540983b1b42f8fce111dce
--- /dev/null
+++ b/MCdata/1ato_MC
@@ -0,0 +1,457 @@
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : C C3p_endo anti
+A4 : A C3p_endo anti
+A5 : C C3p_endo anti
+A6 : C C3p_endo anti
+A7 : U C3p_endo anti
+A8 : C C3p_endo anti
+A9 : C C2p_exo anti
+A10 : U C3p_exo anti
+A11 : C C1p_endo anti
+A12 : G C1p_endo anti
+A13 : C C3p_endo anti
+A14 : G C3p_endo anti
+A15 : G C3p_endo anti
+A16 : U C3p_endo anti
+A17 : G C3p_endo anti
+A18 : C C3p_endo anti
+A19 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward pairing 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-A17 : outward 
+Number of stackings = 14
+Number of adjacent stackings = 13
+Number of non adjacent stackings = 1
+Base-pairs ------------------------------------------------------
+A1-A19 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A18 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A17 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-A16 : A-U Ww/Ww pairing antiparallel cis XX 
+A5-A15 : C-G Ww/Ww pairing antiparallel cis XIX 
+A6-A14 : C-G Ww/Ww pairing antiparallel cis XIX 
+A7-A13 : U-C Ws/Bh pairing antiparallel cis one_hbond 100 
+A8-A9 : C-C O2P/Bh adjacent_5p upward pairing 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : C C3p_endo anti
+A4 : A C3p_endo anti
+A5 : C C3p_endo anti
+A6 : C C3p_endo anti
+A7 : U C3p_endo anti
+A8 : C C3p_endo anti
+A9 : C C3p_endo anti
+A10 : U C2p_endo anti
+A11 : C C1p_endo anti
+A12 : G C4p_exo anti
+A13 : C C3p_endo anti
+A14 : G C3p_endo anti
+A15 : G C3p_endo anti
+A16 : U C3p_endo anti
+A17 : G C3p_endo anti
+A18 : C C3p_endo anti
+A19 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-A17 : outward 
+Number of stackings = 14
+Number of adjacent stackings = 13
+Number of non adjacent stackings = 1
+Base-pairs ------------------------------------------------------
+A1-A19 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A18 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A17 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-A16 : A-U Ww/Ww pairing antiparallel cis XX 
+A5-A15 : C-G Ww/Ww pairing antiparallel cis XIX 
+A6-A14 : C-G Ww/Ww pairing antiparallel cis XIX 
+A7-A13 : U-C Ws/Wh pairing antiparallel cis one_hbond 100 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : C C3p_endo anti
+A4 : A C3p_endo anti
+A5 : C C3p_endo anti
+A6 : C C3p_endo anti
+A7 : U C3p_endo anti
+A8 : C C3p_endo anti
+A9 : C C3p_endo anti
+A10 : U C2p_endo anti
+A11 : C C1p_endo anti
+A12 : G C1p_endo anti
+A13 : C C3p_endo anti
+A14 : G C3p_endo anti
+A15 : G C3p_endo anti
+A16 : U C3p_endo anti
+A17 : G C3p_endo anti
+A18 : C C3p_endo anti
+A19 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-A17 : outward 
+Number of stackings = 14
+Number of adjacent stackings = 13
+Number of non adjacent stackings = 1
+Base-pairs ------------------------------------------------------
+A1-A19 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A18 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A17 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-A16 : A-U Ww/Ww pairing antiparallel cis XX 
+A5-A15 : C-G Ww/Ww pairing antiparallel cis XIX 
+A6-A14 : C-G Ww/Ww pairing antiparallel cis XIX 
+A7-A13 : U-C Ws/Hw pairing antiparallel trans one_hbond 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : C C3p_endo anti
+A4 : A C3p_endo anti
+A5 : C C3p_endo anti
+A6 : C C3p_endo anti
+A7 : U C3p_endo anti
+A8 : C C3p_endo anti
+A9 : C C3p_endo anti
+A10 : U C2p_endo anti
+A11 : C O4p_exo anti
+A12 : G O4p_exo anti
+A13 : C C3p_endo anti
+A14 : G C3p_endo anti
+A15 : G C3p_endo anti
+A16 : U C3p_endo anti
+A17 : G C3p_endo anti
+A18 : C C3p_endo anti
+A19 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 11
+Number of adjacent stackings = 11
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A1-A19 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A18 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A17 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-A16 : A-U Ww/Ww pairing antiparallel cis XX 
+A5-A15 : C-G Ww/Ww pairing antiparallel cis XIX 
+A6-A14 : C-G Ww/Ww pairing antiparallel cis XIX 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : C C3p_endo anti
+A4 : A C3p_endo anti
+A5 : C C3p_endo anti
+A6 : C C3p_endo anti
+A7 : U C3p_endo anti
+A8 : C C3p_endo anti
+A9 : C C2p_exo anti
+A10 : U C2p_endo anti
+A11 : C C1p_endo anti
+A12 : G C3p_endo anti
+A13 : C C3p_endo anti
+A14 : G C3p_endo anti
+A15 : G C3p_endo anti
+A16 : U C3p_endo anti
+A17 : G C3p_endo anti
+A18 : C C3p_endo anti
+A19 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-A17 : outward 
+Number of stackings = 13
+Number of adjacent stackings = 12
+Number of non adjacent stackings = 1
+Base-pairs ------------------------------------------------------
+A1-A19 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A18 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A17 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-A16 : A-U Ww/Ww pairing antiparallel cis XX 
+A5-A15 : C-G Ww/Ww pairing antiparallel cis XIX 
+A6-A14 : C-G Ww/Ww pairing antiparallel cis XIX 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : C C3p_endo anti
+A4 : A C3p_endo anti
+A5 : C C3p_endo anti
+A6 : C C3p_endo anti
+A7 : U C3p_endo anti
+A8 : C C3p_endo anti
+A9 : C C2p_exo anti
+A10 : U C2p_endo anti
+A11 : C C1p_endo anti
+A12 : G C2p_exo anti
+A13 : C C3p_endo anti
+A14 : G C3p_endo anti
+A15 : G C2p_exo anti
+A16 : U C3p_endo anti
+A17 : G C3p_endo anti
+A18 : C C3p_endo anti
+A19 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-A17 : outward 
+Number of stackings = 13
+Number of adjacent stackings = 12
+Number of non adjacent stackings = 1
+Base-pairs ------------------------------------------------------
+A1-A19 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A18 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A17 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-A16 : A-U Ww/Ww pairing antiparallel cis XX 
+A5-A15 : C-G Ww/Ww pairing antiparallel cis XIX 
+A6-A14 : C-G Ww/Ww pairing antiparallel cis XIX 
+A7-A13 : U-C Ws/Wh pairing antiparallel cis one_hbond 100 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : C C3p_endo anti
+A4 : A C3p_endo anti
+A5 : C C3p_endo anti
+A6 : C C3p_endo anti
+A7 : U C3p_endo anti
+A8 : C C3p_endo anti
+A9 : C C2p_exo anti
+A10 : U C2p_endo anti
+A11 : C C1p_endo anti
+A12 : G O4p_exo anti
+A13 : C C3p_endo anti
+A14 : G C3p_endo anti
+A15 : G C3p_endo anti
+A16 : U C3p_endo anti
+A17 : G C3p_endo anti
+A18 : C C3p_endo anti
+A19 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-A17 : outward 
+Number of stackings = 13
+Number of adjacent stackings = 12
+Number of non adjacent stackings = 1
+Base-pairs ------------------------------------------------------
+A1-A19 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A18 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A17 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-A16 : A-U Ww/Ww pairing antiparallel cis XX 
+A5-A15 : C-G Ww/Ww pairing antiparallel cis XIX 
+A6-A14 : C-G Ww/Ww pairing antiparallel cis XIX 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : C C3p_endo anti
+A4 : A C3p_endo anti
+A5 : C C3p_endo anti
+A6 : C C3p_endo anti
+A7 : U C3p_endo anti
+A8 : C C3p_endo anti
+A9 : C C2p_exo anti
+A10 : U C2p_endo anti
+A11 : C C1p_endo anti
+A12 : G C1p_endo anti
+A13 : C C3p_endo anti
+A14 : G C3p_endo anti
+A15 : G C3p_endo anti
+A16 : U C3p_endo anti
+A17 : G C3p_endo anti
+A18 : C C3p_endo anti
+A19 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-A17 : outward 
+Number of stackings = 12
+Number of adjacent stackings = 11
+Number of non adjacent stackings = 1
+Base-pairs ------------------------------------------------------
+A1-A19 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A18 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A17 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-A16 : A-U Ww/Ww pairing antiparallel cis XX 
+A5-A15 : C-G Ww/Ww pairing antiparallel cis XIX 
+A6-A14 : C-G Ww/Ww pairing antiparallel cis XIX 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : C C3p_endo anti
+A4 : A C3p_endo anti
+A5 : C C3p_endo anti
+A6 : C C3p_endo anti
+A7 : U C3p_endo anti
+A8 : C C3p_endo anti
+A9 : C C2p_exo anti
+A10 : U C3p_exo anti
+A11 : C O4p_exo anti
+A12 : G C2p_exo anti
+A13 : C C3p_endo anti
+A14 : G C3p_endo anti
+A15 : G C3p_endo anti
+A16 : U C3p_endo anti
+A17 : G C3p_endo anti
+A18 : C C3p_endo anti
+A19 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-A17 : outward 
+Number of stackings = 13
+Number of adjacent stackings = 12
+Number of non adjacent stackings = 1
+Base-pairs ------------------------------------------------------
+A1-A19 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A18 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A17 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-A16 : A-U Ww/Ww pairing antiparallel cis XX 
+A5-A15 : C-G Ww/Ww pairing antiparallel cis XIX 
+A6-A14 : C-G Ww/Ww pairing antiparallel cis XIX 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : C C3p_endo anti
+A4 : A C3p_endo anti
+A5 : C C3p_endo anti
+A6 : C C3p_endo anti
+A7 : U C3p_endo anti
+A8 : C C3p_endo anti
+A9 : C C3p_endo anti
+A10 : U C2p_endo anti
+A11 : C O4p_exo anti
+A12 : G O4p_endo anti
+A13 : C C3p_endo anti
+A14 : G C3p_endo anti
+A15 : G C3p_endo anti
+A16 : U C3p_endo anti
+A17 : G C3p_endo anti
+A18 : C C3p_endo anti
+A19 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-A17 : outward 
+Number of stackings = 14
+Number of adjacent stackings = 13
+Number of non adjacent stackings = 1
+Base-pairs ------------------------------------------------------
+A1-A19 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A18 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A17 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-A16 : A-U Ww/Ww pairing antiparallel cis XX 
+A5-A15 : C-G Ww/Ww pairing antiparallel cis XIX 
+A6-A14 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-A9 : C-C O2P/Bh adjacent_5p pairing 
diff --git a/MCdata/1atv_MC b/MCdata/1atv_MC
new file mode 100644
index 0000000000000000000000000000000000000000..5c11e768975422e4105bd17fba105e763fcc6f79
--- /dev/null
+++ b/MCdata/1atv_MC
@@ -0,0 +1,186 @@
+Residue conformations -------------------------------------------
+A1 : G C4p_exo anti
+A2 : G C3p_endo anti
+A3 : G C3p_endo anti
+A4 : A C3p_endo anti
+A5 : C C3p_endo anti
+A6 : C C3p_endo anti
+A7 : A C3p_endo anti
+A8 : G C4p_exo anti
+A9 : A C3p_endo syn
+A10 : A C4p_exo anti
+A11 : G C3p_endo anti
+A12 : G C3p_endo anti
+A13 : U C3p_endo anti
+A14 : C C3p_endo anti
+A15 : C C3p_endo anti
+A16 : C C3p_endo anti
+A17 : G C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward pairing 
+A11-A12 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A16-A17 : adjacent_5p inward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 12
+Number of adjacent stackings = 12
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A1-A16 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A15 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A14 : G-C Ww/Ww pairing antiparallel cis XIX 
+A4-A13 : A-U Ww/Ww pairing antiparallel cis XX 
+A5-A7 : C-A O2P/Bh pairing 
+A5-A12 : C-G Ww/Ww pairing antiparallel cis XIX 
+A6-A7 : C-A O2P/Hh adjacent_5p pairing 
+A6-A11 : C-G Ww/Ww pairing antiparallel cis XIX 
+A7-A10 : A-A Ss/Wh pairing antiparallel cis one_hbond 40 
+A8-A9 : G-A Ww/O2' Ss/O2' adjacent_5p pairing 
+A10-A11 : A-G O2'/C8 adjacent_5p upward pairing 
+Residue conformations -------------------------------------------
+A1 : G C4p_exo anti
+A2 : G C3p_endo anti
+A3 : G C3p_endo anti
+A4 : A C3p_endo anti
+A5 : C C3p_endo anti
+A6 : C C3p_endo anti
+A7 : A C3p_endo anti
+A8 : G C4p_exo anti
+A9 : A C3p_endo syn
+A10 : A C4p_exo anti
+A11 : G C3p_endo anti
+A12 : G C3p_endo anti
+A13 : U C3p_endo anti
+A14 : C C3p_endo anti
+A15 : C C3p_endo anti
+A16 : C C3p_endo anti
+A17 : G C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward pairing 
+A10-A11 : adjacent_5p upward pairing 
+A11-A12 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A1-A17 : outward 
+Number of stackings = 13
+Number of adjacent stackings = 12
+Number of non adjacent stackings = 1
+Base-pairs ------------------------------------------------------
+A1-A16 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A15 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A14 : G-C Ww/Ww pairing antiparallel cis XIX 
+A4-A13 : A-U Ww/Ww pairing antiparallel cis XX 
+A5-A7 : C-A O2P/Bh pairing 
+A5-A12 : C-G Ww/Ww pairing antiparallel cis XIX 
+A6-A7 : C-A O2P/Hh adjacent_5p upward pairing 
+A6-A11 : C-G Ww/Ww pairing antiparallel cis XIX 
+A7-A10 : A-A Ss/Wh O2'/Ww pairing antiparallel trans one_hbond 40 
+A10-A11 : A-G O2'/C8 adjacent_5p upward pairing 
+Residue conformations -------------------------------------------
+A1 : G C4p_exo anti
+A2 : G C3p_endo anti
+A3 : G C3p_endo anti
+A4 : A C3p_endo anti
+A5 : C C3p_endo anti
+A6 : C C3p_endo anti
+A7 : A C3p_endo anti
+A8 : G C4p_exo anti
+A9 : A C3p_exo anti
+A10 : A C4p_exo anti
+A11 : G C3p_endo anti
+A12 : G C3p_endo anti
+A13 : U C3p_endo anti
+A14 : C C3p_endo anti
+A15 : C C3p_endo anti
+A16 : C C3p_endo anti
+A17 : G C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 12
+Number of adjacent stackings = 12
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A1-A16 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A15 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A14 : G-C Ww/Ww pairing antiparallel cis XIX 
+A4-A13 : A-U Ww/Ww pairing antiparallel cis XX 
+A5-A12 : C-G Ww/Ww pairing antiparallel cis XIX 
+A6-A8 : C-G O2P/Bs pairing 
+A6-A11 : C-G Ww/Ww pairing antiparallel cis XIX 
+A7-A8 : A-G Hh/Sw Ss/O2' adjacent_5p pairing antiparallel cis one_hbond 
+A7-A9 : A-A O2'/Bh pairing 
+Residue conformations -------------------------------------------
+A1 : G C4p_exo anti
+A2 : G C3p_endo anti
+A3 : G C3p_endo anti
+A4 : A C3p_endo anti
+A5 : C C3p_endo anti
+A6 : C C3p_endo anti
+A7 : A C3p_endo anti
+A8 : G C4p_exo anti
+A9 : A C3p_endo syn
+A10 : A C4p_exo anti
+A11 : G C3p_endo anti
+A12 : G C3p_endo anti
+A13 : U C3p_endo anti
+A14 : C C3p_endo anti
+A15 : C C3p_endo anti
+A16 : C C3p_endo anti
+A17 : G C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward pairing 
+A11-A12 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A16-A17 : adjacent_5p inward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 12
+Number of adjacent stackings = 12
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A1-A16 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A15 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A14 : G-C Ww/Ww pairing antiparallel cis XIX 
+A4-A13 : A-U Ww/Ww pairing antiparallel cis XX 
+A5-A7 : C-A O2P/Bh pairing 
+A5-A12 : C-G Ww/Ww pairing antiparallel cis XIX 
+A6-A7 : C-A O2P/Hh adjacent_5p pairing 
+A6-A11 : C-G Ww/Ww pairing antiparallel cis XIX 
+A7-A10 : A-A Ss/Wh pairing antiparallel cis one_hbond 40 
+A8-A9 : G-A Ww/O2' Ss/O2' adjacent_5p pairing 
+A10-A11 : A-G O2'/C8 adjacent_5p upward pairing 
diff --git a/MCdata/1atw_MC b/MCdata/1atw_MC
new file mode 100644
index 0000000000000000000000000000000000000000..f31fce87e0bbe2180bed782cfbe487f2d99279b1
--- /dev/null
+++ b/MCdata/1atw_MC
@@ -0,0 +1,114 @@
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : C C3p_endo anti
+A3 : U C3p_endo anti
+A4 : C C3p_endo anti
+A5 : C C3p_endo anti
+A6 : A C4p_exo anti
+A7 : G C3p_exo anti
+A8 : A C3p_endo anti
+A9 : U C3p_endo anti
+A10 : G C3p_endo anti
+A11 : G C3p_endo anti
+A12 : A C3p_endo anti
+A13 : G C3p_endo anti
+A14 : C C3p_endo anti
+A15 : G C4p_exo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A1-A15 : outward 
+Number of stackings = 10
+Number of adjacent stackings = 9
+Number of non adjacent stackings = 1
+Base-pairs ------------------------------------------------------
+A1-A14 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A13 : C-G Ww/Ww pairing antiparallel cis XIX 
+A3-A12 : U-A Ww/Ww pairing antiparallel cis XX 
+A4-A11 : C-G Ww/Ww pairing antiparallel cis XIX 
+A5-A6 : C-A O2P/Ss O2P/C8 adjacent_5p pairing 
+A5-A10 : C-G Ww/Ww pairing antiparallel cis XIX 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : C C3p_endo anti
+A3 : U C3p_endo anti
+A4 : C C3p_endo anti
+A5 : C C3p_endo anti
+A6 : A C3p_endo anti
+A7 : G C2p_endo anti
+A8 : A C3p_endo anti
+A9 : U C3p_endo anti
+A10 : G C3p_endo anti
+A11 : G C3p_endo anti
+A12 : A C3p_endo anti
+A13 : G C3p_endo anti
+A14 : C C3p_endo anti
+A15 : G C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 8
+Number of adjacent stackings = 8
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A1-A14 : G-C Ww/Ww pairing antiparallel cis XIX 
+A1-A15 : G-G O2'/Bs pairing 
+A2-A13 : C-G Ww/Ww pairing antiparallel cis XIX 
+A3-A12 : U-A Ww/Ww pairing antiparallel cis XX 
+A4-A11 : C-G Ww/Ww pairing antiparallel cis XIX 
+A5-A10 : C-G Ww/Ww pairing antiparallel cis XIX 
+A7-A10 : G-G Sw/Ss O2'/Bs Bs/O2' pairing parallel cis one_hbond 
+Residue conformations -------------------------------------------
+A1 : G C4p_exo anti
+A2 : C C3p_endo anti
+A3 : U C3p_endo anti
+A4 : C C3p_endo anti
+A5 : C C3p_endo anti
+A6 : A C3p_endo anti
+A7 : G C2p_endo anti
+A8 : A C3p_endo anti
+A9 : U C3p_endo anti
+A10 : G C3p_endo anti
+A11 : G C3p_endo anti
+A12 : A C3p_endo anti
+A13 : G C3p_endo anti
+A14 : C C3p_endo anti
+A15 : G C4p_exo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 9
+Number of adjacent stackings = 9
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A1-A14 : G-C Ww/Ww pairing antiparallel cis XIX 
+A1-A15 : G-G Bs/Hh pairing antiparallel trans 34 
+A2-A13 : C-G Ww/Ww pairing antiparallel cis XIX 
+A3-A12 : U-A Ww/Ww pairing antiparallel cis XX 
+A4-A11 : C-G Ww/Ww pairing antiparallel cis XIX 
+A5-A6 : C-A O2P/Hh O2P/Ss adjacent_5p pairing 
+A5-A10 : C-G Ww/Ww pairing antiparallel cis XIX 
+A9-A10 : U-G O2P/Hh adjacent_5p pairing 
diff --git a/MCdata/1aud_MC b/MCdata/1aud_MC
new file mode 100644
index 0000000000000000000000000000000000000000..faaf17f258310c4c694b5b7d0f7304148c6eacae
--- /dev/null
+++ b/MCdata/1aud_MC
@@ -0,0 +1,4858 @@
+Residue conformations -------------------------------------------
+B19 : G C3p_endo anti
+B20 : G C3p_endo anti
+B21 : C C3p_endo anti
+B22 : A C3p_endo anti
+B23 : G C3p_endo anti
+B24 : A C4p_exo anti
+B25 : G O4p_endo anti
+B26 : U C3p_endo anti
+B27 : C C4p_exo anti
+B28 : C C3p_endo anti
+B29 : U C3p_endo anti
+B30 : U C3p_exo anti
+B33 : C C3p_exo anti
+B34 : G C3p_endo syn
+B35 : G C3p_endo anti
+B36 : G C4p_exo anti
+B37 : A C3p_endo anti
+B38 : C C3p_endo anti
+B39 : A C3p_endo anti
+B40 : U C3p_endo anti
+B41 : U C2p_endo anti
+B42 : G C3p_endo anti
+B43 : C C2p_endo anti
+B44 : A C2p_exo anti
+B45 : C C3p_endo anti
+B46 : C C3p_endo anti
+B47 : U C3p_endo anti
+B48 : G C3p_endo anti
+B49 : C C3p_endo anti
+B50 : C C3p_endo anti
+A1 : ALA
+A2 : VAL
+A3 : PRO
+A4 : GLU
+A5 : THR
+A6 : ARG
+A7 : PRO
+A8 : ASN
+A9 : HIS
+A10 : THR
+A11 : ILE
+A12 : TYR
+A13 : ILE
+A14 : ASN
+A15 : ASN
+A16 : LEU
+A17 : ASN
+A18 : GLU
+A19 : LYS
+A20 : ILE
+A21 : LYS
+A22 : LYS
+A23 : ASP
+A24 : GLU
+A25 : LEU
+A26 : LYS
+A27 : LYS
+A28 : SER
+A29 : LEU
+A30 : HIS
+A31 : ALA
+A32 : ILE
+A33 : PHE
+A34 : SER
+A35 : ARG
+A36 : PHE
+A37 : GLY
+A38 : GLN
+A39 : ILE
+A40 : LEU
+A41 : ASP
+A42 : ILE
+A43 : LEU
+A44 : VAL
+A45 : SER
+A46 : ARG
+A47 : SER
+A48 : LEU
+A49 : LYS
+A50 : MET
+A51 : ARG
+A52 : GLY
+A53 : GLN
+A54 : ALA
+A55 : PHE
+A56 : VAL
+A57 : ILE
+A58 : PHE
+A59 : LYS
+A60 : GLU
+A61 : VAL
+A62 : SER
+A63 : SER
+A64 : ALA
+A65 : THR
+A66 : ASN
+A67 : ALA
+A68 : LEU
+A69 : ARG
+A70 : SER
+A71 : MET
+A72 : GLN
+A73 : GLY
+A74 : PHE
+A75 : PRO
+A76 : PHE
+A77 : TYR
+A78 : ASP
+A79 : LYS
+A80 : PRO
+A81 : MET
+A82 : ARG
+A83 : ILE
+A84 : GLN
+A85 : TYR
+A86 : ALA
+A87 : LYS
+A88 : THR
+A89 : ASP
+A90 : SER
+A91 : ASP
+A92 : ILE
+A93 : ILE
+A94 : ALA
+A95 : LYS
+A96 : MET
+A97 : LYS
+A98 : GLY
+A99 : THR
+A100 : PHE
+A101 : VAL
+Adjacent stackings ----------------------------------------------
+B20-B21 : adjacent_5p upward 
+B22-B23 : adjacent_5p upward 
+B23-B24 : adjacent_5p upward 
+B26-B27 : adjacent_5p upward 
+B28-B29 : adjacent_5p upward 
+B34-B35 : adjacent_5p outward 
+B35-B36 : adjacent_5p upward 
+B37-B38 : adjacent_5p upward 
+B39-B40 : adjacent_5p upward 
+B44-B45 : adjacent_5p upward 
+B49-B50 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 11
+Number of adjacent stackings = 11
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+B21-B48 : C-G Ww/Ww pairing antiparallel cis XIX 
+B22-B47 : A-U Ww/Ww pairing antiparallel cis XX 
+B23-B46 : G-C Ww/Ww pairing antiparallel cis one_hbond 
+B25-B38 : G-C Ww/Ww pairing antiparallel cis one_hbond 
+B26-B37 : U-A Ww/Ww pairing antiparallel cis XX 
+B28-B35 : C-G Ww/Ww pairing antiparallel cis XIX 
+B30-B34 : U-G O2'/Hh pairing 
+Residue conformations -------------------------------------------
+B19 : G C3p_endo anti
+B20 : G C3p_endo anti
+B21 : C C3p_endo anti
+B22 : A C3p_endo anti
+B23 : G C3p_endo anti
+B24 : A C3p_endo anti
+B25 : G C4p_exo anti
+B26 : U C3p_endo anti
+B27 : C C4p_exo anti
+B28 : C C3p_endo anti
+B29 : U C3p_endo anti
+B30 : U C3p_exo anti
+B33 : C C3p_exo anti
+B34 : G C4p_exo syn
+B35 : G C3p_endo anti
+B36 : G C3p_endo anti
+B37 : A C4p_exo anti
+B38 : C C3p_endo anti
+B39 : A C3p_endo anti
+B40 : U C3p_endo anti
+B41 : U C2p_endo anti
+B42 : G C3p_endo anti
+B43 : C C3p_exo anti
+B44 : A C3p_endo anti
+B45 : C C4p_exo anti
+B46 : C C3p_endo anti
+B47 : U C3p_endo anti
+B48 : G C3p_endo anti
+B49 : C C3p_endo anti
+B50 : C C3p_endo anti
+A1 : ALA
+A2 : VAL
+A3 : PRO
+A4 : GLU
+A5 : THR
+A6 : ARG
+A7 : PRO
+A8 : ASN
+A9 : HIS
+A10 : THR
+A11 : ILE
+A12 : TYR
+A13 : ILE
+A14 : ASN
+A15 : ASN
+A16 : LEU
+A17 : ASN
+A18 : GLU
+A19 : LYS
+A20 : ILE
+A21 : LYS
+A22 : LYS
+A23 : ASP
+A24 : GLU
+A25 : LEU
+A26 : LYS
+A27 : LYS
+A28 : SER
+A29 : LEU
+A30 : HIS
+A31 : ALA
+A32 : ILE
+A33 : PHE
+A34 : SER
+A35 : ARG
+A36 : PHE
+A37 : GLY
+A38 : GLN
+A39 : ILE
+A40 : LEU
+A41 : ASP
+A42 : ILE
+A43 : LEU
+A44 : VAL
+A45 : SER
+A46 : ARG
+A47 : SER
+A48 : LEU
+A49 : LYS
+A50 : MET
+A51 : ARG
+A52 : GLY
+A53 : GLN
+A54 : ALA
+A55 : PHE
+A56 : VAL
+A57 : ILE
+A58 : PHE
+A59 : LYS
+A60 : GLU
+A61 : VAL
+A62 : SER
+A63 : SER
+A64 : ALA
+A65 : THR
+A66 : ASN
+A67 : ALA
+A68 : LEU
+A69 : ARG
+A70 : SER
+A71 : MET
+A72 : GLN
+A73 : GLY
+A74 : PHE
+A75 : PRO
+A76 : PHE
+A77 : TYR
+A78 : ASP
+A79 : LYS
+A80 : PRO
+A81 : MET
+A82 : ARG
+A83 : ILE
+A84 : GLN
+A85 : TYR
+A86 : ALA
+A87 : LYS
+A88 : THR
+A89 : ASP
+A90 : SER
+A91 : ASP
+A92 : ILE
+A93 : ILE
+A94 : ALA
+A95 : LYS
+A96 : MET
+A97 : LYS
+A98 : GLY
+A99 : THR
+A100 : PHE
+A101 : VAL
+Adjacent stackings ----------------------------------------------
+B20-B21 : adjacent_5p upward 
+B22-B23 : adjacent_5p upward 
+B23-B24 : adjacent_5p upward 
+B26-B27 : adjacent_5p upward 
+B36-B37 : adjacent_5p upward 
+B37-B38 : adjacent_5p upward 
+B38-B39 : adjacent_5p upward 
+B39-B40 : adjacent_5p upward 
+B44-B45 : adjacent_5p upward 
+B47-B48 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 10
+Number of adjacent stackings = 10
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+B19-B50 : G-C Ww/Ww pairing antiparallel cis one_hbond 
+B21-B48 : C-G Ww/Ww pairing antiparallel cis XIX 
+B22-B47 : A-U Ww/Ww pairing antiparallel cis XX 
+B23-B46 : G-C Ww/Ww pairing antiparallel cis 130 
+B25-B38 : G-C Wh/Ww pairing antiparallel cis one_hbond 
+B26-B37 : U-A Ww/Ww pairing antiparallel cis one_hbond 
+B27-B36 : C-G Ww/Ww pairing antiparallel cis one_hbond 
+B30-B34 : U-G O2'/Hh pairing 
+Residue conformations -------------------------------------------
+B19 : G C4p_exo anti
+B20 : G C3p_endo anti
+B21 : C C3p_endo anti
+B22 : A C3p_endo anti
+B23 : G C2p_exo anti
+B24 : A C3p_endo anti
+B25 : G O4p_endo anti
+B26 : U C3p_endo anti
+B27 : C C3p_endo anti
+B28 : C C3p_endo anti
+B29 : U C3p_endo anti
+B30 : U C3p_exo anti
+B33 : C C3p_exo anti
+B34 : G C4p_exo syn
+B35 : G C3p_endo anti
+B36 : G C4p_exo anti
+B37 : A C3p_endo anti
+B38 : C C3p_endo anti
+B39 : A C3p_endo anti
+B40 : U C3p_endo anti
+B41 : U C2p_endo anti
+B42 : G C3p_endo anti
+B43 : C C2p_endo anti
+B44 : A C3p_endo anti
+B45 : C C3p_endo anti
+B46 : C C3p_endo anti
+B47 : U C3p_endo anti
+B48 : G C3p_endo anti
+B49 : C C3p_endo anti
+B50 : C C3p_endo anti
+A1 : ALA
+A2 : VAL
+A3 : PRO
+A4 : GLU
+A5 : THR
+A6 : ARG
+A7 : PRO
+A8 : ASN
+A9 : HIS
+A10 : THR
+A11 : ILE
+A12 : TYR
+A13 : ILE
+A14 : ASN
+A15 : ASN
+A16 : LEU
+A17 : ASN
+A18 : GLU
+A19 : LYS
+A20 : ILE
+A21 : LYS
+A22 : LYS
+A23 : ASP
+A24 : GLU
+A25 : LEU
+A26 : LYS
+A27 : LYS
+A28 : SER
+A29 : LEU
+A30 : HIS
+A31 : ALA
+A32 : ILE
+A33 : PHE
+A34 : SER
+A35 : ARG
+A36 : PHE
+A37 : GLY
+A38 : GLN
+A39 : ILE
+A40 : LEU
+A41 : ASP
+A42 : ILE
+A43 : LEU
+A44 : VAL
+A45 : SER
+A46 : ARG
+A47 : SER
+A48 : LEU
+A49 : LYS
+A50 : MET
+A51 : ARG
+A52 : GLY
+A53 : GLN
+A54 : ALA
+A55 : PHE
+A56 : VAL
+A57 : ILE
+A58 : PHE
+A59 : LYS
+A60 : GLU
+A61 : VAL
+A62 : SER
+A63 : SER
+A64 : ALA
+A65 : THR
+A66 : ASN
+A67 : ALA
+A68 : LEU
+A69 : ARG
+A70 : SER
+A71 : MET
+A72 : GLN
+A73 : GLY
+A74 : PHE
+A75 : PRO
+A76 : PHE
+A77 : TYR
+A78 : ASP
+A79 : LYS
+A80 : PRO
+A81 : MET
+A82 : ARG
+A83 : ILE
+A84 : GLN
+A85 : TYR
+A86 : ALA
+A87 : LYS
+A88 : THR
+A89 : ASP
+A90 : SER
+A91 : ASP
+A92 : ILE
+A93 : ILE
+A94 : ALA
+A95 : LYS
+A96 : MET
+A97 : LYS
+A98 : GLY
+A99 : THR
+A100 : PHE
+A101 : VAL
+Adjacent stackings ----------------------------------------------
+B20-B21 : adjacent_5p upward 
+B22-B23 : adjacent_5p upward 
+B23-B24 : adjacent_5p upward 
+B26-B27 : adjacent_5p upward 
+B28-B29 : adjacent_5p upward 
+B34-B35 : adjacent_5p outward 
+B35-B36 : adjacent_5p upward 
+B37-B38 : adjacent_5p upward 
+B39-B40 : adjacent_5p upward 
+B44-B45 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+B22-B48 : outward 
+B25-B39 : outward 
+Number of stackings = 12
+Number of adjacent stackings = 10
+Number of non adjacent stackings = 2
+Base-pairs ------------------------------------------------------
+B20-B49 : G-C Wh/Wh pairing antiparallel cis one_hbond 
+B21-B48 : C-G Ww/Ww pairing antiparallel cis XIX 
+B22-B47 : A-U Ww/Ww pairing antiparallel cis one_hbond 
+B23-B46 : G-C Wh/Ww pairing antiparallel cis one_hbond 
+B26-B37 : U-A Ww/Ww pairing antiparallel cis XX 
+B27-B36 : C-G Ww/Ww pairing antiparallel cis 
+B28-B35 : C-G Ww/Ww pairing antiparallel cis XIX 
+B30-B34 : U-G O2'/Hh pairing 
+B40-B42 : U-G Ss/Ws O2'/Bs pairing antiparallel cis one_hbond 84 
+Residue conformations -------------------------------------------
+B19 : G C3p_endo anti
+B20 : G C3p_endo anti
+B21 : C C4p_exo anti
+B22 : A C3p_endo anti
+B23 : G C3p_endo anti
+B24 : A C4p_exo anti
+B25 : G C4p_exo anti
+B26 : U C3p_endo anti
+B27 : C C4p_exo anti
+B28 : C C3p_endo anti
+B29 : U C3p_endo anti
+B30 : U C3p_exo anti
+B33 : C C3p_exo anti
+B34 : G C4p_exo syn
+B35 : G C3p_endo anti
+B36 : G C3p_endo anti
+B37 : A C4p_exo anti
+B38 : C C3p_endo anti
+B39 : A C3p_endo anti
+B40 : U C3p_endo anti
+B41 : U C2p_endo anti
+B42 : G C3p_endo anti
+B43 : C C2p_endo anti
+B44 : A C3p_endo anti
+B45 : C C4p_exo anti
+B46 : C C3p_endo anti
+B47 : U C3p_endo anti
+B48 : G C3p_endo anti
+B49 : C C3p_endo anti
+B50 : C C3p_endo anti
+A1 : ALA
+A2 : VAL
+A3 : PRO
+A4 : GLU
+A5 : THR
+A6 : ARG
+A7 : PRO
+A8 : ASN
+A9 : HIS
+A10 : THR
+A11 : ILE
+A12 : TYR
+A13 : ILE
+A14 : ASN
+A15 : ASN
+A16 : LEU
+A17 : ASN
+A18 : GLU
+A19 : LYS
+A20 : ILE
+A21 : LYS
+A22 : LYS
+A23 : ASP
+A24 : GLU
+A25 : LEU
+A26 : LYS
+A27 : LYS
+A28 : SER
+A29 : LEU
+A30 : HIS
+A31 : ALA
+A32 : ILE
+A33 : PHE
+A34 : SER
+A35 : ARG
+A36 : PHE
+A37 : GLY
+A38 : GLN
+A39 : ILE
+A40 : LEU
+A41 : ASP
+A42 : ILE
+A43 : LEU
+A44 : VAL
+A45 : SER
+A46 : ARG
+A47 : SER
+A48 : LEU
+A49 : LYS
+A50 : MET
+A51 : ARG
+A52 : GLY
+A53 : GLN
+A54 : ALA
+A55 : PHE
+A56 : VAL
+A57 : ILE
+A58 : PHE
+A59 : LYS
+A60 : GLU
+A61 : VAL
+A62 : SER
+A63 : SER
+A64 : ALA
+A65 : THR
+A66 : ASN
+A67 : ALA
+A68 : LEU
+A69 : ARG
+A70 : SER
+A71 : MET
+A72 : GLN
+A73 : GLY
+A74 : PHE
+A75 : PRO
+A76 : PHE
+A77 : TYR
+A78 : ASP
+A79 : LYS
+A80 : PRO
+A81 : MET
+A82 : ARG
+A83 : ILE
+A84 : GLN
+A85 : TYR
+A86 : ALA
+A87 : LYS
+A88 : THR
+A89 : ASP
+A90 : SER
+A91 : ASP
+A92 : ILE
+A93 : ILE
+A94 : ALA
+A95 : LYS
+A96 : MET
+A97 : LYS
+A98 : GLY
+A99 : THR
+A100 : PHE
+A101 : VAL
+Adjacent stackings ----------------------------------------------
+B20-B21 : adjacent_5p upward 
+B22-B23 : adjacent_5p upward 
+B23-B24 : adjacent_5p upward 
+B25-B26 : adjacent_5p upward 
+B26-B27 : adjacent_5p upward 
+B28-B29 : adjacent_5p upward 
+B34-B35 : adjacent_5p outward 
+B35-B36 : adjacent_5p upward 
+B36-B37 : adjacent_5p upward 
+B38-B39 : adjacent_5p upward 
+B39-B40 : adjacent_5p upward 
+B44-B45 : adjacent_5p upward 
+B48-B49 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 13
+Number of adjacent stackings = 13
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+B21-B48 : C-G Ww/Ww pairing antiparallel cis XIX 
+B22-B47 : A-U Ww/Ww pairing antiparallel cis XX 
+B23-B46 : G-C Ww/Ww pairing antiparallel cis one_hbond 
+B26-B37 : U-A Ww/Ww pairing antiparallel cis XX 
+B28-B35 : C-G Ws/Ws pairing antiparallel cis one_hbond 
+B30-B34 : U-G O2'/Hh pairing 
+B40-B42 : U-G O2'/Bs pairing 
+B41-B42 : U-G O2P/Bs O2P/Ss adjacent_5p pairing 
+Residue conformations -------------------------------------------
+B19 : G C3p_endo anti
+B20 : G C3p_endo anti
+B21 : C C3p_endo anti
+B22 : A C3p_endo anti
+B23 : G C3p_endo anti
+B24 : A C3p_endo anti
+B25 : G O4p_endo anti
+B26 : U C3p_endo anti
+B27 : C C3p_endo anti
+B28 : C C3p_endo anti
+B29 : U C3p_endo anti
+B30 : U C3p_exo anti
+B33 : C C3p_exo anti
+B34 : G C3p_endo syn
+B35 : G C3p_endo anti
+B36 : G C3p_endo anti
+B37 : A C3p_endo anti
+B38 : C C3p_endo anti
+B39 : A C2p_exo anti
+B40 : U C3p_endo anti
+B41 : U C3p_exo anti
+B42 : G C3p_endo anti
+B43 : C C2p_endo anti
+B44 : A C3p_endo anti
+B45 : C C4p_exo anti
+B46 : C C3p_endo anti
+B47 : U C3p_endo anti
+B48 : G C3p_endo anti
+B49 : C C3p_endo anti
+B50 : C C3p_endo anti
+A1 : ALA
+A2 : VAL
+A3 : PRO
+A4 : GLU
+A5 : THR
+A6 : ARG
+A7 : PRO
+A8 : ASN
+A9 : HIS
+A10 : THR
+A11 : ILE
+A12 : TYR
+A13 : ILE
+A14 : ASN
+A15 : ASN
+A16 : LEU
+A17 : ASN
+A18 : GLU
+A19 : LYS
+A20 : ILE
+A21 : LYS
+A22 : LYS
+A23 : ASP
+A24 : GLU
+A25 : LEU
+A26 : LYS
+A27 : LYS
+A28 : SER
+A29 : LEU
+A30 : HIS
+A31 : ALA
+A32 : ILE
+A33 : PHE
+A34 : SER
+A35 : ARG
+A36 : PHE
+A37 : GLY
+A38 : GLN
+A39 : ILE
+A40 : LEU
+A41 : ASP
+A42 : ILE
+A43 : LEU
+A44 : VAL
+A45 : SER
+A46 : ARG
+A47 : SER
+A48 : LEU
+A49 : LYS
+A50 : MET
+A51 : ARG
+A52 : GLY
+A53 : GLN
+A54 : ALA
+A55 : PHE
+A56 : VAL
+A57 : ILE
+A58 : PHE
+A59 : LYS
+A60 : GLU
+A61 : VAL
+A62 : SER
+A63 : SER
+A64 : ALA
+A65 : THR
+A66 : ASN
+A67 : ALA
+A68 : LEU
+A69 : ARG
+A70 : SER
+A71 : MET
+A72 : GLN
+A73 : GLY
+A74 : PHE
+A75 : PRO
+A76 : PHE
+A77 : TYR
+A78 : ASP
+A79 : LYS
+A80 : PRO
+A81 : MET
+A82 : ARG
+A83 : ILE
+A84 : GLN
+A85 : TYR
+A86 : ALA
+A87 : LYS
+A88 : THR
+A89 : ASP
+A90 : SER
+A91 : ASP
+A92 : ILE
+A93 : ILE
+A94 : ALA
+A95 : LYS
+A96 : MET
+A97 : LYS
+A98 : GLY
+A99 : THR
+A100 : PHE
+A101 : VAL
+Adjacent stackings ----------------------------------------------
+B20-B21 : adjacent_5p upward 
+B22-B23 : adjacent_5p upward 
+B23-B24 : adjacent_5p upward 
+B26-B27 : adjacent_5p upward 
+B28-B29 : adjacent_5p upward 
+B34-B35 : adjacent_5p outward 
+B35-B36 : adjacent_5p upward 
+B37-B38 : adjacent_5p upward 
+B39-B40 : adjacent_5p upward 
+B44-B45 : adjacent_5p upward 
+B49-B50 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 11
+Number of adjacent stackings = 11
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+B19-B50 : G-C Ww/Ww pairing antiparallel cis one_hbond 
+B21-B48 : C-G Ww/Ww pairing antiparallel cis XIX 
+B22-B47 : A-U Ww/Ww pairing antiparallel cis XX 
+B23-B46 : G-C Ww/Ww pairing antiparallel cis 
+B25-B38 : G-C Ww/Ws pairing antiparallel cis one_hbond 
+B26-B37 : U-A Ww/Ww pairing antiparallel cis XX 
+B28-B35 : C-G Ww/Wh pairing antiparallel cis one_hbond 
+B30-B34 : U-G O2'/Hh pairing 
+Residue conformations -------------------------------------------
+B19 : G C3p_endo anti
+B20 : G C3p_endo anti
+B21 : C C4p_exo anti
+B22 : A C3p_endo anti
+B23 : G C3p_endo anti
+B24 : A C4p_exo anti
+B25 : G O4p_endo anti
+B26 : U C3p_endo anti
+B27 : C C4p_exo anti
+B28 : C C3p_endo anti
+B29 : U C3p_endo anti
+B30 : U C3p_exo anti
+B33 : C C3p_exo anti
+B34 : G C4p_exo syn
+B35 : G C3p_endo anti
+B36 : G C4p_exo anti
+B37 : A C3p_endo anti
+B38 : C C3p_endo anti
+B39 : A C3p_endo anti
+B40 : U C3p_endo anti
+B41 : U C2p_endo anti
+B42 : G C3p_endo anti
+B43 : C C2p_endo anti
+B44 : A C3p_endo anti
+B45 : C C3p_endo anti
+B46 : C C3p_endo anti
+B47 : U C3p_endo anti
+B48 : G C3p_endo anti
+B49 : C C3p_endo anti
+B50 : C C3p_endo anti
+A1 : ALA
+A2 : VAL
+A3 : PRO
+A4 : GLU
+A5 : THR
+A6 : ARG
+A7 : PRO
+A8 : ASN
+A9 : HIS
+A10 : THR
+A11 : ILE
+A12 : TYR
+A13 : ILE
+A14 : ASN
+A15 : ASN
+A16 : LEU
+A17 : ASN
+A18 : GLU
+A19 : LYS
+A20 : ILE
+A21 : LYS
+A22 : LYS
+A23 : ASP
+A24 : GLU
+A25 : LEU
+A26 : LYS
+A27 : LYS
+A28 : SER
+A29 : LEU
+A30 : HIS
+A31 : ALA
+A32 : ILE
+A33 : PHE
+A34 : SER
+A35 : ARG
+A36 : PHE
+A37 : GLY
+A38 : GLN
+A39 : ILE
+A40 : LEU
+A41 : ASP
+A42 : ILE
+A43 : LEU
+A44 : VAL
+A45 : SER
+A46 : ARG
+A47 : SER
+A48 : LEU
+A49 : LYS
+A50 : MET
+A51 : ARG
+A52 : GLY
+A53 : GLN
+A54 : ALA
+A55 : PHE
+A56 : VAL
+A57 : ILE
+A58 : PHE
+A59 : LYS
+A60 : GLU
+A61 : VAL
+A62 : SER
+A63 : SER
+A64 : ALA
+A65 : THR
+A66 : ASN
+A67 : ALA
+A68 : LEU
+A69 : ARG
+A70 : SER
+A71 : MET
+A72 : GLN
+A73 : GLY
+A74 : PHE
+A75 : PRO
+A76 : PHE
+A77 : TYR
+A78 : ASP
+A79 : LYS
+A80 : PRO
+A81 : MET
+A82 : ARG
+A83 : ILE
+A84 : GLN
+A85 : TYR
+A86 : ALA
+A87 : LYS
+A88 : THR
+A89 : ASP
+A90 : SER
+A91 : ASP
+A92 : ILE
+A93 : ILE
+A94 : ALA
+A95 : LYS
+A96 : MET
+A97 : LYS
+A98 : GLY
+A99 : THR
+A100 : PHE
+A101 : VAL
+Adjacent stackings ----------------------------------------------
+B20-B21 : adjacent_5p upward 
+B22-B23 : adjacent_5p upward 
+B23-B24 : adjacent_5p upward 
+B25-B26 : adjacent_5p upward 
+B26-B27 : adjacent_5p upward 
+B28-B29 : adjacent_5p upward 
+B35-B36 : adjacent_5p upward 
+B36-B37 : adjacent_5p upward 
+B39-B40 : adjacent_5p upward 
+B44-B45 : adjacent_5p upward 
+B48-B49 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+B22-B48 : outward 
+Number of stackings = 12
+Number of adjacent stackings = 11
+Number of non adjacent stackings = 1
+Base-pairs ------------------------------------------------------
+B19-B50 : G-C Ww/Ww pairing antiparallel cis one_hbond 
+B21-B48 : C-G Ww/Ww pairing antiparallel cis 
+B23-B46 : G-C Ww/Ww pairing antiparallel cis one_hbond 
+B26-B37 : U-A Ww/Ww pairing antiparallel cis XX 
+B27-B36 : C-G Ww/Ww pairing antiparallel cis one_hbond 
+B28-B35 : C-G Ww/Ww pairing antiparallel cis XIX 
+B30-B34 : U-G O2'/Hh pairing 
+Residue conformations -------------------------------------------
+B19 : G C3p_endo anti
+B20 : G C3p_endo anti
+B21 : C C3p_endo anti
+B22 : A C3p_endo anti
+B23 : G C3p_endo anti
+B24 : A C3p_endo anti
+B25 : G O4p_endo anti
+B26 : U C4p_exo anti
+B27 : C C3p_endo anti
+B28 : C C4p_exo anti
+B29 : U C4p_exo anti
+B30 : U C3p_exo anti
+B33 : C C3p_exo anti
+B34 : G C4p_exo syn
+B35 : G C3p_endo anti
+B36 : G C3p_endo anti
+B37 : A C4p_exo anti
+B38 : C C3p_endo anti
+B39 : A C3p_endo anti
+B40 : U C3p_endo anti
+B41 : U C2p_endo anti
+B42 : G C1p_endo anti
+B43 : C C2p_endo anti
+B44 : A C2p_exo anti
+B45 : C C3p_endo anti
+B46 : C C3p_endo anti
+B47 : U C3p_endo anti
+B48 : G C3p_endo anti
+B49 : C C3p_endo anti
+B50 : C C3p_endo anti
+A1 : ALA
+A2 : VAL
+A3 : PRO
+A4 : GLU
+A5 : THR
+A6 : ARG
+A7 : PRO
+A8 : ASN
+A9 : HIS
+A10 : THR
+A11 : ILE
+A12 : TYR
+A13 : ILE
+A14 : ASN
+A15 : ASN
+A16 : LEU
+A17 : ASN
+A18 : GLU
+A19 : LYS
+A20 : ILE
+A21 : LYS
+A22 : LYS
+A23 : ASP
+A24 : GLU
+A25 : LEU
+A26 : LYS
+A27 : LYS
+A28 : SER
+A29 : LEU
+A30 : HIS
+A31 : ALA
+A32 : ILE
+A33 : PHE
+A34 : SER
+A35 : ARG
+A36 : PHE
+A37 : GLY
+A38 : GLN
+A39 : ILE
+A40 : LEU
+A41 : ASP
+A42 : ILE
+A43 : LEU
+A44 : VAL
+A45 : SER
+A46 : ARG
+A47 : SER
+A48 : LEU
+A49 : LYS
+A50 : MET
+A51 : ARG
+A52 : GLY
+A53 : GLN
+A54 : ALA
+A55 : PHE
+A56 : VAL
+A57 : ILE
+A58 : PHE
+A59 : LYS
+A60 : GLU
+A61 : VAL
+A62 : SER
+A63 : SER
+A64 : ALA
+A65 : THR
+A66 : ASN
+A67 : ALA
+A68 : LEU
+A69 : ARG
+A70 : SER
+A71 : MET
+A72 : GLN
+A73 : GLY
+A74 : PHE
+A75 : PRO
+A76 : PHE
+A77 : TYR
+A78 : ASP
+A79 : LYS
+A80 : PRO
+A81 : MET
+A82 : ARG
+A83 : ILE
+A84 : GLN
+A85 : TYR
+A86 : ALA
+A87 : LYS
+A88 : THR
+A89 : ASP
+A90 : SER
+A91 : ASP
+A92 : ILE
+A93 : ILE
+A94 : ALA
+A95 : LYS
+A96 : MET
+A97 : LYS
+A98 : GLY
+A99 : THR
+A100 : PHE
+A101 : VAL
+Adjacent stackings ----------------------------------------------
+B20-B21 : adjacent_5p upward 
+B22-B23 : adjacent_5p upward 
+B23-B24 : adjacent_5p upward 
+B25-B26 : adjacent_5p upward 
+B26-B27 : adjacent_5p upward 
+B35-B36 : adjacent_5p upward 
+B36-B37 : adjacent_5p upward 
+B37-B38 : adjacent_5p upward 
+B39-B40 : adjacent_5p upward 
+B44-B45 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 10
+Number of adjacent stackings = 10
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+B19-B50 : G-C Ww/Ww pairing antiparallel cis 
+B21-B48 : C-G Ww/Ww pairing antiparallel cis XIX 
+B22-B47 : A-U Ww/Ww pairing antiparallel cis XX 
+B24-B46 : A-C Ss/Wh pairing antiparallel cis one_hbond 74 
+B27-B36 : C-G Ww/Ww pairing antiparallel cis XIX 
+B28-B35 : C-G Ws/Ws pairing antiparallel cis one_hbond 
+B30-B33 : U-C O2P/Bh adjacent_5p pairing 
+Residue conformations -------------------------------------------
+B19 : G C2p_exo anti
+B20 : G C3p_endo anti
+B21 : C C3p_endo anti
+B22 : A C3p_endo anti
+B23 : G C3p_endo anti
+B24 : A C3p_endo anti
+B25 : G C4p_exo anti
+B26 : U C3p_endo anti
+B27 : C C4p_exo anti
+B28 : C C3p_endo anti
+B29 : U C3p_endo anti
+B30 : U C3p_exo anti
+B33 : C C3p_exo anti
+B34 : G C4p_exo syn
+B35 : G C3p_endo anti
+B36 : G C4p_exo anti
+B37 : A C3p_endo anti
+B38 : C C3p_endo anti
+B39 : A C2p_exo anti
+B40 : U C3p_endo anti
+B41 : U C2p_endo anti
+B42 : G C3p_endo anti
+B43 : C C2p_endo anti
+B44 : A C2p_exo anti
+B45 : C C4p_exo anti
+B46 : C C3p_endo anti
+B47 : U C3p_endo anti
+B48 : G C3p_endo anti
+B49 : C C3p_endo anti
+B50 : C C3p_endo anti
+A1 : ALA
+A2 : VAL
+A3 : PRO
+A4 : GLU
+A5 : THR
+A6 : ARG
+A7 : PRO
+A8 : ASN
+A9 : HIS
+A10 : THR
+A11 : ILE
+A12 : TYR
+A13 : ILE
+A14 : ASN
+A15 : ASN
+A16 : LEU
+A17 : ASN
+A18 : GLU
+A19 : LYS
+A20 : ILE
+A21 : LYS
+A22 : LYS
+A23 : ASP
+A24 : GLU
+A25 : LEU
+A26 : LYS
+A27 : LYS
+A28 : SER
+A29 : LEU
+A30 : HIS
+A31 : ALA
+A32 : ILE
+A33 : PHE
+A34 : SER
+A35 : ARG
+A36 : PHE
+A37 : GLY
+A38 : GLN
+A39 : ILE
+A40 : LEU
+A41 : ASP
+A42 : ILE
+A43 : LEU
+A44 : VAL
+A45 : SER
+A46 : ARG
+A47 : SER
+A48 : LEU
+A49 : LYS
+A50 : MET
+A51 : ARG
+A52 : GLY
+A53 : GLN
+A54 : ALA
+A55 : PHE
+A56 : VAL
+A57 : ILE
+A58 : PHE
+A59 : LYS
+A60 : GLU
+A61 : VAL
+A62 : SER
+A63 : SER
+A64 : ALA
+A65 : THR
+A66 : ASN
+A67 : ALA
+A68 : LEU
+A69 : ARG
+A70 : SER
+A71 : MET
+A72 : GLN
+A73 : GLY
+A74 : PHE
+A75 : PRO
+A76 : PHE
+A77 : TYR
+A78 : ASP
+A79 : LYS
+A80 : PRO
+A81 : MET
+A82 : ARG
+A83 : ILE
+A84 : GLN
+A85 : TYR
+A86 : ALA
+A87 : LYS
+A88 : THR
+A89 : ASP
+A90 : SER
+A91 : ASP
+A92 : ILE
+A93 : ILE
+A94 : ALA
+A95 : LYS
+A96 : MET
+A97 : LYS
+A98 : GLY
+A99 : THR
+A100 : PHE
+A101 : VAL
+Adjacent stackings ----------------------------------------------
+B19-B20 : adjacent_5p upward 
+B20-B21 : adjacent_5p upward 
+B22-B23 : adjacent_5p upward 
+B23-B24 : adjacent_5p upward 
+B26-B27 : adjacent_5p upward 
+B28-B29 : adjacent_5p upward 
+B35-B36 : adjacent_5p upward 
+B39-B40 : adjacent_5p upward 
+B44-B45 : adjacent_5p upward 
+B48-B49 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 10
+Number of adjacent stackings = 10
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+B20-B49 : G-C Ww/Ww pairing antiparallel cis one_hbond 
+B22-B47 : A-U Ww/Ww pairing antiparallel cis XX 
+B23-B46 : G-C Ww/Ww pairing antiparallel cis 
+B25-B38 : G-C Wh/Wh pairing antiparallel cis one_hbond 
+B26-B37 : U-A Ww/Ww pairing antiparallel cis XX 
+B27-B36 : C-G Ww/Ww pairing antiparallel cis one_hbond 
+B28-B35 : C-G Ww/Ww pairing antiparallel cis XIX 
+B30-B34 : U-G O2'/Hh pairing 
+B40-B42 : U-G Ss/Ws O2'/Bs pairing antiparallel cis one_hbond 84 
+Residue conformations -------------------------------------------
+B19 : G C3p_endo anti
+B20 : G C3p_endo anti
+B21 : C C3p_endo anti
+B22 : A C3p_endo anti
+B23 : G C3p_endo anti
+B24 : A C4p_exo anti
+B25 : G C4p_exo anti
+B26 : U C3p_endo anti
+B27 : C C3p_endo anti
+B28 : C C3p_endo anti
+B29 : U C4p_exo anti
+B30 : U C3p_exo anti
+B33 : C C3p_exo anti
+B34 : G C4p_exo syn
+B35 : G C3p_endo anti
+B36 : G C3p_endo anti
+B37 : A C4p_exo anti
+B38 : C C3p_endo anti
+B39 : A C3p_endo anti
+B40 : U C3p_endo anti
+B41 : U C2p_endo anti
+B42 : G C3p_endo anti
+B43 : C C2p_endo anti
+B44 : A C3p_endo anti
+B45 : C C3p_endo anti
+B46 : C C3p_endo anti
+B47 : U C3p_endo anti
+B48 : G C3p_endo anti
+B49 : C C3p_endo anti
+B50 : C C3p_endo anti
+A1 : ALA
+A2 : VAL
+A3 : PRO
+A4 : GLU
+A5 : THR
+A6 : ARG
+A7 : PRO
+A8 : ASN
+A9 : HIS
+A10 : THR
+A11 : ILE
+A12 : TYR
+A13 : ILE
+A14 : ASN
+A15 : ASN
+A16 : LEU
+A17 : ASN
+A18 : GLU
+A19 : LYS
+A20 : ILE
+A21 : LYS
+A22 : LYS
+A23 : ASP
+A24 : GLU
+A25 : LEU
+A26 : LYS
+A27 : LYS
+A28 : SER
+A29 : LEU
+A30 : HIS
+A31 : ALA
+A32 : ILE
+A33 : PHE
+A34 : SER
+A35 : ARG
+A36 : PHE
+A37 : GLY
+A38 : GLN
+A39 : ILE
+A40 : LEU
+A41 : ASP
+A42 : ILE
+A43 : LEU
+A44 : VAL
+A45 : SER
+A46 : ARG
+A47 : SER
+A48 : LEU
+A49 : LYS
+A50 : MET
+A51 : ARG
+A52 : GLY
+A53 : GLN
+A54 : ALA
+A55 : PHE
+A56 : VAL
+A57 : ILE
+A58 : PHE
+A59 : LYS
+A60 : GLU
+A61 : VAL
+A62 : SER
+A63 : SER
+A64 : ALA
+A65 : THR
+A66 : ASN
+A67 : ALA
+A68 : LEU
+A69 : ARG
+A70 : SER
+A71 : MET
+A72 : GLN
+A73 : GLY
+A74 : PHE
+A75 : PRO
+A76 : PHE
+A77 : TYR
+A78 : ASP
+A79 : LYS
+A80 : PRO
+A81 : MET
+A82 : ARG
+A83 : ILE
+A84 : GLN
+A85 : TYR
+A86 : ALA
+A87 : LYS
+A88 : THR
+A89 : ASP
+A90 : SER
+A91 : ASP
+A92 : ILE
+A93 : ILE
+A94 : ALA
+A95 : LYS
+A96 : MET
+A97 : LYS
+A98 : GLY
+A99 : THR
+A100 : PHE
+A101 : VAL
+Adjacent stackings ----------------------------------------------
+B19-B20 : adjacent_5p upward 
+B20-B21 : adjacent_5p upward 
+B22-B23 : adjacent_5p upward 
+B23-B24 : adjacent_5p upward 
+B25-B26 : adjacent_5p upward 
+B26-B27 : adjacent_5p upward 
+B35-B36 : adjacent_5p upward 
+B36-B37 : adjacent_5p upward 
+B38-B39 : adjacent_5p upward 
+B39-B40 : adjacent_5p upward 
+B44-B45 : adjacent_5p upward 
+B47-B48 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 12
+Number of adjacent stackings = 12
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+B21-B48 : C-G Ww/Ww pairing antiparallel cis XIX 
+B22-B47 : A-U Ww/Ww pairing antiparallel cis XX 
+B23-B46 : G-C Ww/Ww pairing antiparallel cis XIX 
+B30-B33 : U-C O2P/Bh adjacent_5p pairing 
+B40-B42 : U-G O2'/Bs pairing 
+Residue conformations -------------------------------------------
+B19 : G C3p_exo anti
+B20 : G C3p_endo anti
+B21 : C C3p_endo anti
+B22 : A C3p_endo anti
+B23 : G C3p_endo anti
+B24 : A C3p_endo anti
+B25 : G O4p_endo anti
+B26 : U C3p_endo anti
+B27 : C C3p_endo anti
+B28 : C C3p_endo anti
+B29 : U C3p_endo anti
+B30 : U C3p_exo anti
+B33 : C C3p_exo anti
+B34 : G C4p_exo syn
+B35 : G C3p_endo anti
+B36 : G C3p_endo anti
+B37 : A C3p_endo anti
+B38 : C C3p_endo anti
+B39 : A C3p_endo anti
+B40 : U C3p_endo anti
+B41 : U C2p_endo anti
+B42 : G C3p_endo anti
+B43 : C C2p_endo anti
+B44 : A C3p_endo anti
+B45 : C C3p_endo anti
+B46 : C C3p_endo anti
+B47 : U C3p_endo anti
+B48 : G C3p_endo anti
+B49 : C C3p_endo anti
+B50 : C C3p_endo anti
+A1 : ALA
+A2 : VAL
+A3 : PRO
+A4 : GLU
+A5 : THR
+A6 : ARG
+A7 : PRO
+A8 : ASN
+A9 : HIS
+A10 : THR
+A11 : ILE
+A12 : TYR
+A13 : ILE
+A14 : ASN
+A15 : ASN
+A16 : LEU
+A17 : ASN
+A18 : GLU
+A19 : LYS
+A20 : ILE
+A21 : LYS
+A22 : LYS
+A23 : ASP
+A24 : GLU
+A25 : LEU
+A26 : LYS
+A27 : LYS
+A28 : SER
+A29 : LEU
+A30 : HIS
+A31 : ALA
+A32 : ILE
+A33 : PHE
+A34 : SER
+A35 : ARG
+A36 : PHE
+A37 : GLY
+A38 : GLN
+A39 : ILE
+A40 : LEU
+A41 : ASP
+A42 : ILE
+A43 : LEU
+A44 : VAL
+A45 : SER
+A46 : ARG
+A47 : SER
+A48 : LEU
+A49 : LYS
+A50 : MET
+A51 : ARG
+A52 : GLY
+A53 : GLN
+A54 : ALA
+A55 : PHE
+A56 : VAL
+A57 : ILE
+A58 : PHE
+A59 : LYS
+A60 : GLU
+A61 : VAL
+A62 : SER
+A63 : SER
+A64 : ALA
+A65 : THR
+A66 : ASN
+A67 : ALA
+A68 : LEU
+A69 : ARG
+A70 : SER
+A71 : MET
+A72 : GLN
+A73 : GLY
+A74 : PHE
+A75 : PRO
+A76 : PHE
+A77 : TYR
+A78 : ASP
+A79 : LYS
+A80 : PRO
+A81 : MET
+A82 : ARG
+A83 : ILE
+A84 : GLN
+A85 : TYR
+A86 : ALA
+A87 : LYS
+A88 : THR
+A89 : ASP
+A90 : SER
+A91 : ASP
+A92 : ILE
+A93 : ILE
+A94 : ALA
+A95 : LYS
+A96 : MET
+A97 : LYS
+A98 : GLY
+A99 : THR
+A100 : PHE
+A101 : VAL
+Adjacent stackings ----------------------------------------------
+B20-B21 : adjacent_5p upward 
+B22-B23 : adjacent_5p upward 
+B23-B24 : adjacent_5p upward 
+B26-B27 : adjacent_5p upward 
+B35-B36 : adjacent_5p upward 
+B36-B37 : adjacent_5p upward 
+B38-B39 : adjacent_5p upward 
+B39-B40 : adjacent_5p upward 
+B44-B45 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 9
+Number of adjacent stackings = 9
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+B22-B47 : A-U Wh/Ww pairing antiparallel cis one_hbond 
+B23-B46 : G-C Ww/Ww pairing antiparallel cis 
+B27-B36 : C-G Ww/Ww pairing antiparallel cis 
+B28-B35 : C-G Ws/Ww pairing antiparallel cis one_hbond 
+B30-B34 : U-G O2'/Hh pairing 
+B40-B42 : U-G O2'/Bs pairing 
+Residue conformations -------------------------------------------
+B19 : G C3p_endo anti
+B20 : G C3p_endo anti
+B21 : C C3p_endo anti
+B22 : A C3p_endo anti
+B23 : G C3p_endo anti
+B24 : A C3p_endo anti
+B25 : G C4p_exo anti
+B26 : U C3p_endo anti
+B27 : C C4p_exo anti
+B28 : C C3p_endo anti
+B29 : U C3p_endo anti
+B30 : U C3p_exo anti
+B33 : C C3p_exo anti
+B34 : G C3p_endo syn
+B35 : G C3p_endo anti
+B36 : G C4p_exo anti
+B37 : A C3p_endo anti
+B38 : C C3p_endo anti
+B39 : A C3p_endo anti
+B40 : U C3p_endo anti
+B41 : U C2p_endo anti
+B42 : G C3p_endo anti
+B43 : C C3p_exo anti
+B44 : A C2p_exo anti
+B45 : C C3p_endo anti
+B46 : C C3p_endo anti
+B47 : U C3p_endo anti
+B48 : G C3p_endo anti
+B49 : C C3p_endo anti
+B50 : C C3p_endo anti
+A1 : ALA
+A2 : VAL
+A3 : PRO
+A4 : GLU
+A5 : THR
+A6 : ARG
+A7 : PRO
+A8 : ASN
+A9 : HIS
+A10 : THR
+A11 : ILE
+A12 : TYR
+A13 : ILE
+A14 : ASN
+A15 : ASN
+A16 : LEU
+A17 : ASN
+A18 : GLU
+A19 : LYS
+A20 : ILE
+A21 : LYS
+A22 : LYS
+A23 : ASP
+A24 : GLU
+A25 : LEU
+A26 : LYS
+A27 : LYS
+A28 : SER
+A29 : LEU
+A30 : HIS
+A31 : ALA
+A32 : ILE
+A33 : PHE
+A34 : SER
+A35 : ARG
+A36 : PHE
+A37 : GLY
+A38 : GLN
+A39 : ILE
+A40 : LEU
+A41 : ASP
+A42 : ILE
+A43 : LEU
+A44 : VAL
+A45 : SER
+A46 : ARG
+A47 : SER
+A48 : LEU
+A49 : LYS
+A50 : MET
+A51 : ARG
+A52 : GLY
+A53 : GLN
+A54 : ALA
+A55 : PHE
+A56 : VAL
+A57 : ILE
+A58 : PHE
+A59 : LYS
+A60 : GLU
+A61 : VAL
+A62 : SER
+A63 : SER
+A64 : ALA
+A65 : THR
+A66 : ASN
+A67 : ALA
+A68 : LEU
+A69 : ARG
+A70 : SER
+A71 : MET
+A72 : GLN
+A73 : GLY
+A74 : PHE
+A75 : PRO
+A76 : PHE
+A77 : TYR
+A78 : ASP
+A79 : LYS
+A80 : PRO
+A81 : MET
+A82 : ARG
+A83 : ILE
+A84 : GLN
+A85 : TYR
+A86 : ALA
+A87 : LYS
+A88 : THR
+A89 : ASP
+A90 : SER
+A91 : ASP
+A92 : ILE
+A93 : ILE
+A94 : ALA
+A95 : LYS
+A96 : MET
+A97 : LYS
+A98 : GLY
+A99 : THR
+A100 : PHE
+A101 : VAL
+Adjacent stackings ----------------------------------------------
+B20-B21 : adjacent_5p upward 
+B22-B23 : adjacent_5p upward 
+B23-B24 : adjacent_5p upward 
+B25-B26 : adjacent_5p upward 
+B26-B27 : adjacent_5p upward 
+B28-B29 : adjacent_5p upward 
+B34-B35 : adjacent_5p outward 
+B35-B36 : adjacent_5p upward 
+B37-B38 : adjacent_5p upward 
+B39-B40 : adjacent_5p upward 
+B44-B45 : adjacent_5p upward 
+B47-B48 : adjacent_5p upward 
+B49-B50 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 13
+Number of adjacent stackings = 13
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+B19-B50 : G-C Ww/Ww pairing antiparallel cis one_hbond 
+B21-B48 : C-G Ww/Ww pairing antiparallel cis XIX 
+B22-B47 : A-U Ww/Ww pairing antiparallel cis XX 
+B23-B46 : G-C Ww/Ww pairing antiparallel cis 
+B26-B37 : U-A Ww/Ww pairing antiparallel cis XX 
+B27-B36 : C-G Ww/Ww pairing antiparallel cis one_hbond 
+B28-B35 : C-G Ww/Ww pairing antiparallel cis XIX 
+B30-B34 : U-G O2'/Hh pairing 
+B40-B42 : U-G O2'/Bs pairing 
+Residue conformations -------------------------------------------
+B19 : G O4p_endo anti
+B20 : G C3p_endo anti
+B21 : C C3p_endo anti
+B22 : A C3p_endo anti
+B23 : G C2p_exo anti
+B24 : A C4p_exo anti
+B25 : G C4p_exo anti
+B26 : U C3p_endo anti
+B27 : C C3p_endo anti
+B28 : C C3p_endo anti
+B29 : U C4p_exo anti
+B30 : U C3p_exo anti
+B33 : C C3p_exo anti
+B34 : G C4p_exo syn
+B35 : G C3p_endo anti
+B36 : G C3p_endo anti
+B37 : A C4p_exo anti
+B38 : C C3p_endo anti
+B39 : A C3p_endo anti
+B40 : U C2p_exo anti
+B41 : U C3p_exo anti
+B42 : G C3p_endo anti
+B43 : C C2p_endo anti
+B44 : A C3p_endo anti
+B45 : C C3p_endo anti
+B46 : C C3p_endo anti
+B47 : U C3p_endo anti
+B48 : G C3p_endo anti
+B49 : C C3p_endo anti
+B50 : C C3p_endo anti
+A1 : ALA
+A2 : VAL
+A3 : PRO
+A4 : GLU
+A5 : THR
+A6 : ARG
+A7 : PRO
+A8 : ASN
+A9 : HIS
+A10 : THR
+A11 : ILE
+A12 : TYR
+A13 : ILE
+A14 : ASN
+A15 : ASN
+A16 : LEU
+A17 : ASN
+A18 : GLU
+A19 : LYS
+A20 : ILE
+A21 : LYS
+A22 : LYS
+A23 : ASP
+A24 : GLU
+A25 : LEU
+A26 : LYS
+A27 : LYS
+A28 : SER
+A29 : LEU
+A30 : HIS
+A31 : ALA
+A32 : ILE
+A33 : PHE
+A34 : SER
+A35 : ARG
+A36 : PHE
+A37 : GLY
+A38 : GLN
+A39 : ILE
+A40 : LEU
+A41 : ASP
+A42 : ILE
+A43 : LEU
+A44 : VAL
+A45 : SER
+A46 : ARG
+A47 : SER
+A48 : LEU
+A49 : LYS
+A50 : MET
+A51 : ARG
+A52 : GLY
+A53 : GLN
+A54 : ALA
+A55 : PHE
+A56 : VAL
+A57 : ILE
+A58 : PHE
+A59 : LYS
+A60 : GLU
+A61 : VAL
+A62 : SER
+A63 : SER
+A64 : ALA
+A65 : THR
+A66 : ASN
+A67 : ALA
+A68 : LEU
+A69 : ARG
+A70 : SER
+A71 : MET
+A72 : GLN
+A73 : GLY
+A74 : PHE
+A75 : PRO
+A76 : PHE
+A77 : TYR
+A78 : ASP
+A79 : LYS
+A80 : PRO
+A81 : MET
+A82 : ARG
+A83 : ILE
+A84 : GLN
+A85 : TYR
+A86 : ALA
+A87 : LYS
+A88 : THR
+A89 : ASP
+A90 : SER
+A91 : ASP
+A92 : ILE
+A93 : ILE
+A94 : ALA
+A95 : LYS
+A96 : MET
+A97 : LYS
+A98 : GLY
+A99 : THR
+A100 : PHE
+A101 : VAL
+Adjacent stackings ----------------------------------------------
+B20-B21 : adjacent_5p upward 
+B23-B24 : adjacent_5p upward 
+B25-B26 : adjacent_5p upward 
+B35-B36 : adjacent_5p upward 
+B36-B37 : adjacent_5p upward 
+B37-B38 : adjacent_5p upward 
+B39-B40 : adjacent_5p upward 
+B44-B45 : adjacent_5p upward 
+B46-B47 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+B25-B39 : outward 
+Number of stackings = 10
+Number of adjacent stackings = 9
+Number of non adjacent stackings = 1
+Base-pairs ------------------------------------------------------
+B20-B49 : G-C Wh/Wh pairing antiparallel cis one_hbond 
+B21-B48 : C-G Ww/Ww pairing antiparallel cis XIX 
+B22-B47 : A-U Ww/Ww pairing antiparallel cis XX 
+B23-B46 : G-C Ws/Ws pairing antiparallel cis one_hbond 
+B25-B38 : G-C Ws/Ww pairing antiparallel cis one_hbond 
+B26-B37 : U-A Ww/Ww pairing antiparallel cis one_hbond 
+B27-B36 : C-G Ww/Ww pairing antiparallel cis 130 
+B28-B35 : C-G Ws/Ws pairing antiparallel cis one_hbond 
+B30-B33 : U-C O2P/Bh adjacent_5p pairing 
+Residue conformations -------------------------------------------
+B19 : G C3p_endo anti
+B20 : G C3p_endo anti
+B21 : C C3p_endo anti
+B22 : A C3p_endo anti
+B23 : G C3p_endo anti
+B24 : A C3p_endo anti
+B25 : G O4p_endo anti
+B26 : U C3p_endo anti
+B27 : C C4p_exo anti
+B28 : C C3p_endo anti
+B29 : U C3p_endo anti
+B30 : U C3p_exo anti
+B33 : C C3p_exo anti
+B34 : G C3p_endo syn
+B35 : G C3p_endo anti
+B36 : G C4p_exo anti
+B37 : A C3p_endo anti
+B38 : C C3p_endo anti
+B39 : A C3p_endo anti
+B40 : U C3p_endo anti
+B41 : U C2p_endo anti
+B42 : G C3p_endo anti
+B43 : C C2p_endo anti
+B44 : A C2p_exo anti
+B45 : C C3p_endo anti
+B46 : C C4p_exo anti
+B47 : U C3p_endo anti
+B48 : G C3p_endo anti
+B49 : C C3p_endo anti
+B50 : C C3p_endo anti
+A1 : ALA
+A2 : VAL
+A3 : PRO
+A4 : GLU
+A5 : THR
+A6 : ARG
+A7 : PRO
+A8 : ASN
+A9 : HIS
+A10 : THR
+A11 : ILE
+A12 : TYR
+A13 : ILE
+A14 : ASN
+A15 : ASN
+A16 : LEU
+A17 : ASN
+A18 : GLU
+A19 : LYS
+A20 : ILE
+A21 : LYS
+A22 : LYS
+A23 : ASP
+A24 : GLU
+A25 : LEU
+A26 : LYS
+A27 : LYS
+A28 : SER
+A29 : LEU
+A30 : HIS
+A31 : ALA
+A32 : ILE
+A33 : PHE
+A34 : SER
+A35 : ARG
+A36 : PHE
+A37 : GLY
+A38 : GLN
+A39 : ILE
+A40 : LEU
+A41 : ASP
+A42 : ILE
+A43 : LEU
+A44 : VAL
+A45 : SER
+A46 : ARG
+A47 : SER
+A48 : LEU
+A49 : LYS
+A50 : MET
+A51 : ARG
+A52 : GLY
+A53 : GLN
+A54 : ALA
+A55 : PHE
+A56 : VAL
+A57 : ILE
+A58 : PHE
+A59 : LYS
+A60 : GLU
+A61 : VAL
+A62 : SER
+A63 : SER
+A64 : ALA
+A65 : THR
+A66 : ASN
+A67 : ALA
+A68 : LEU
+A69 : ARG
+A70 : SER
+A71 : MET
+A72 : GLN
+A73 : GLY
+A74 : PHE
+A75 : PRO
+A76 : PHE
+A77 : TYR
+A78 : ASP
+A79 : LYS
+A80 : PRO
+A81 : MET
+A82 : ARG
+A83 : ILE
+A84 : GLN
+A85 : TYR
+A86 : ALA
+A87 : LYS
+A88 : THR
+A89 : ASP
+A90 : SER
+A91 : ASP
+A92 : ILE
+A93 : ILE
+A94 : ALA
+A95 : LYS
+A96 : MET
+A97 : LYS
+A98 : GLY
+A99 : THR
+A100 : PHE
+A101 : VAL
+Adjacent stackings ----------------------------------------------
+B20-B21 : adjacent_5p upward 
+B21-B22 : adjacent_5p upward 
+B22-B23 : adjacent_5p upward 
+B23-B24 : adjacent_5p upward 
+B26-B27 : adjacent_5p upward 
+B28-B29 : adjacent_5p upward 
+B34-B35 : adjacent_5p outward 
+B35-B36 : adjacent_5p upward 
+B38-B39 : adjacent_5p upward 
+B39-B40 : adjacent_5p upward 
+B41-B42 : adjacent_5p outward 
+B44-B45 : adjacent_5p upward 
+B47-B48 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 13
+Number of adjacent stackings = 13
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+B21-B48 : C-G Ww/Ww pairing antiparallel cis XIX 
+B22-B47 : A-U Ww/Ww pairing antiparallel cis XX 
+B23-B46 : G-C Ww/Ww pairing antiparallel cis XIX 
+B25-B38 : G-C Wh/Wh pairing antiparallel cis one_hbond 
+B26-B37 : U-A Ww/Ww pairing antiparallel cis XX 
+B28-B35 : C-G Ww/Ww pairing antiparallel cis XIX 
+B30-B34 : U-G O2'/Hh pairing 
+B40-B42 : U-G O2'/Bs pairing 
+Residue conformations -------------------------------------------
+B19 : G C3p_endo anti
+B20 : G C3p_endo anti
+B21 : C C3p_endo anti
+B22 : A C3p_endo anti
+B23 : G C3p_endo anti
+B24 : A C4p_exo anti
+B25 : G C4p_exo anti
+B26 : U C3p_endo anti
+B27 : C C4p_exo anti
+B28 : C C3p_endo anti
+B29 : U C3p_endo anti
+B30 : U C3p_exo anti
+B33 : C C3p_exo anti
+B34 : G C3p_endo syn
+B35 : G C3p_endo anti
+B36 : G C3p_endo anti
+B37 : A C3p_endo anti
+B38 : C C3p_endo anti
+B39 : A C3p_endo anti
+B40 : U C3p_endo anti
+B41 : U C2p_endo anti
+B42 : G C3p_endo anti
+B43 : C C1p_exo anti
+B44 : A C3p_endo anti
+B45 : C C4p_exo anti
+B46 : C C3p_endo anti
+B47 : U C3p_endo anti
+B48 : G C3p_endo anti
+B49 : C C3p_endo anti
+B50 : C C3p_endo anti
+A1 : ALA
+A2 : VAL
+A3 : PRO
+A4 : GLU
+A5 : THR
+A6 : ARG
+A7 : PRO
+A8 : ASN
+A9 : HIS
+A10 : THR
+A11 : ILE
+A12 : TYR
+A13 : ILE
+A14 : ASN
+A15 : ASN
+A16 : LEU
+A17 : ASN
+A18 : GLU
+A19 : LYS
+A20 : ILE
+A21 : LYS
+A22 : LYS
+A23 : ASP
+A24 : GLU
+A25 : LEU
+A26 : LYS
+A27 : LYS
+A28 : SER
+A29 : LEU
+A30 : HIS
+A31 : ALA
+A32 : ILE
+A33 : PHE
+A34 : SER
+A35 : ARG
+A36 : PHE
+A37 : GLY
+A38 : GLN
+A39 : ILE
+A40 : LEU
+A41 : ASP
+A42 : ILE
+A43 : LEU
+A44 : VAL
+A45 : SER
+A46 : ARG
+A47 : SER
+A48 : LEU
+A49 : LYS
+A50 : MET
+A51 : ARG
+A52 : GLY
+A53 : GLN
+A54 : ALA
+A55 : PHE
+A56 : VAL
+A57 : ILE
+A58 : PHE
+A59 : LYS
+A60 : GLU
+A61 : VAL
+A62 : SER
+A63 : SER
+A64 : ALA
+A65 : THR
+A66 : ASN
+A67 : ALA
+A68 : LEU
+A69 : ARG
+A70 : SER
+A71 : MET
+A72 : GLN
+A73 : GLY
+A74 : PHE
+A75 : PRO
+A76 : PHE
+A77 : TYR
+A78 : ASP
+A79 : LYS
+A80 : PRO
+A81 : MET
+A82 : ARG
+A83 : ILE
+A84 : GLN
+A85 : TYR
+A86 : ALA
+A87 : LYS
+A88 : THR
+A89 : ASP
+A90 : SER
+A91 : ASP
+A92 : ILE
+A93 : ILE
+A94 : ALA
+A95 : LYS
+A96 : MET
+A97 : LYS
+A98 : GLY
+A99 : THR
+A100 : PHE
+A101 : VAL
+Adjacent stackings ----------------------------------------------
+B20-B21 : adjacent_5p upward 
+B22-B23 : adjacent_5p upward 
+B23-B24 : adjacent_5p upward 
+B26-B27 : adjacent_5p upward 
+B28-B29 : adjacent_5p upward 
+B35-B36 : adjacent_5p upward 
+B36-B37 : adjacent_5p upward 
+B37-B38 : adjacent_5p upward 
+B39-B40 : adjacent_5p upward 
+B44-B45 : adjacent_5p upward 
+B47-B48 : adjacent_5p upward 
+B49-B50 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 12
+Number of adjacent stackings = 12
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+B19-B50 : G-C Ww/Ww pairing antiparallel cis 
+B21-B48 : C-G Ww/Ww pairing antiparallel cis XIX 
+B22-B47 : A-U Ww/Ww pairing antiparallel cis XX 
+B23-B46 : G-C Ww/Ww pairing antiparallel cis XIX 
+B25-B38 : G-C Wh/Wh pairing antiparallel cis one_hbond 
+B26-B37 : U-A Ww/Ww pairing antiparallel cis one_hbond 
+B28-B35 : C-G Ws/Ww pairing antiparallel cis one_hbond 
+B30-B34 : U-G O2'/Hh pairing 
+B40-B42 : U-G O2'/Bs pairing 
+Residue conformations -------------------------------------------
+B19 : G C3p_endo anti
+B20 : G C3p_endo anti
+B21 : C C3p_endo anti
+B22 : A C4p_exo anti
+B23 : G C3p_endo anti
+B24 : A C3p_endo anti
+B25 : G O4p_endo anti
+B26 : U C3p_endo anti
+B27 : C C4p_exo anti
+B28 : C C3p_endo anti
+B29 : U C3p_endo anti
+B30 : U C3p_exo anti
+B33 : C C3p_exo anti
+B34 : G C4p_exo syn
+B35 : G C3p_endo anti
+B36 : G C3p_endo anti
+B37 : A C3p_endo anti
+B38 : C C3p_endo anti
+B39 : A C3p_endo anti
+B40 : U C3p_endo anti
+B41 : U C2p_endo anti
+B42 : G C3p_endo anti
+B43 : C C2p_endo anti
+B44 : A C2p_exo anti
+B45 : C C3p_endo anti
+B46 : C C3p_endo anti
+B47 : U C3p_endo anti
+B48 : G C3p_endo anti
+B49 : C C3p_endo anti
+B50 : C C3p_endo anti
+A1 : ALA
+A2 : VAL
+A3 : PRO
+A4 : GLU
+A5 : THR
+A6 : ARG
+A7 : PRO
+A8 : ASN
+A9 : HIS
+A10 : THR
+A11 : ILE
+A12 : TYR
+A13 : ILE
+A14 : ASN
+A15 : ASN
+A16 : LEU
+A17 : ASN
+A18 : GLU
+A19 : LYS
+A20 : ILE
+A21 : LYS
+A22 : LYS
+A23 : ASP
+A24 : GLU
+A25 : LEU
+A26 : LYS
+A27 : LYS
+A28 : SER
+A29 : LEU
+A30 : HIS
+A31 : ALA
+A32 : ILE
+A33 : PHE
+A34 : SER
+A35 : ARG
+A36 : PHE
+A37 : GLY
+A38 : GLN
+A39 : ILE
+A40 : LEU
+A41 : ASP
+A42 : ILE
+A43 : LEU
+A44 : VAL
+A45 : SER
+A46 : ARG
+A47 : SER
+A48 : LEU
+A49 : LYS
+A50 : MET
+A51 : ARG
+A52 : GLY
+A53 : GLN
+A54 : ALA
+A55 : PHE
+A56 : VAL
+A57 : ILE
+A58 : PHE
+A59 : LYS
+A60 : GLU
+A61 : VAL
+A62 : SER
+A63 : SER
+A64 : ALA
+A65 : THR
+A66 : ASN
+A67 : ALA
+A68 : LEU
+A69 : ARG
+A70 : SER
+A71 : MET
+A72 : GLN
+A73 : GLY
+A74 : PHE
+A75 : PRO
+A76 : PHE
+A77 : TYR
+A78 : ASP
+A79 : LYS
+A80 : PRO
+A81 : MET
+A82 : ARG
+A83 : ILE
+A84 : GLN
+A85 : TYR
+A86 : ALA
+A87 : LYS
+A88 : THR
+A89 : ASP
+A90 : SER
+A91 : ASP
+A92 : ILE
+A93 : ILE
+A94 : ALA
+A95 : LYS
+A96 : MET
+A97 : LYS
+A98 : GLY
+A99 : THR
+A100 : PHE
+A101 : VAL
+Adjacent stackings ----------------------------------------------
+B20-B21 : adjacent_5p upward 
+B21-B22 : adjacent_5p upward 
+B23-B24 : adjacent_5p upward 
+B26-B27 : adjacent_5p upward 
+B35-B36 : adjacent_5p upward 
+B37-B38 : adjacent_5p upward 
+B39-B40 : adjacent_5p upward 
+B44-B45 : adjacent_5p upward 
+B46-B47 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+B22-B48 : outward 
+Number of stackings = 10
+Number of adjacent stackings = 9
+Number of non adjacent stackings = 1
+Base-pairs ------------------------------------------------------
+B22-B47 : A-U Ww/Ww pairing antiparallel cis one_hbond 
+B23-B46 : G-C Ws/Ws pairing antiparallel cis one_hbond 
+B26-B37 : U-A Ww/Ww pairing antiparallel cis XX 
+B27-B36 : C-G Ww/Ww pairing antiparallel cis one_hbond 
+B29-B34 : U-G Bs/Ww pairing parallel trans one_hbond 
+B30-B34 : U-G O2'/Hh pairing 
+Residue conformations -------------------------------------------
+B19 : G C4p_exo anti
+B20 : G C3p_endo anti
+B21 : C C3p_endo anti
+B22 : A C3p_endo anti
+B23 : G C3p_endo anti
+B24 : A C4p_exo anti
+B25 : G C4p_exo anti
+B26 : U C3p_endo anti
+B27 : C C4p_exo anti
+B28 : C C3p_endo anti
+B29 : U C3p_endo anti
+B30 : U C3p_exo anti
+B33 : C C3p_exo anti
+B34 : G C4p_exo syn
+B35 : G C3p_endo anti
+B36 : G C3p_endo anti
+B37 : A C3p_endo anti
+B38 : C C3p_endo anti
+B39 : A C2p_exo anti
+B40 : U C3p_endo anti
+B41 : U C2p_endo anti
+B42 : G C3p_endo anti
+B43 : C C2p_endo anti
+B44 : A C2p_exo anti
+B45 : C C3p_endo anti
+B46 : C C3p_endo anti
+B47 : U C3p_endo anti
+B48 : G C3p_endo anti
+B49 : C C3p_endo anti
+B50 : C C3p_endo anti
+A1 : ALA
+A2 : VAL
+A3 : PRO
+A4 : GLU
+A5 : THR
+A6 : ARG
+A7 : PRO
+A8 : ASN
+A9 : HIS
+A10 : THR
+A11 : ILE
+A12 : TYR
+A13 : ILE
+A14 : ASN
+A15 : ASN
+A16 : LEU
+A17 : ASN
+A18 : GLU
+A19 : LYS
+A20 : ILE
+A21 : LYS
+A22 : LYS
+A23 : ASP
+A24 : GLU
+A25 : LEU
+A26 : LYS
+A27 : LYS
+A28 : SER
+A29 : LEU
+A30 : HIS
+A31 : ALA
+A32 : ILE
+A33 : PHE
+A34 : SER
+A35 : ARG
+A36 : PHE
+A37 : GLY
+A38 : GLN
+A39 : ILE
+A40 : LEU
+A41 : ASP
+A42 : ILE
+A43 : LEU
+A44 : VAL
+A45 : SER
+A46 : ARG
+A47 : SER
+A48 : LEU
+A49 : LYS
+A50 : MET
+A51 : ARG
+A52 : GLY
+A53 : GLN
+A54 : ALA
+A55 : PHE
+A56 : VAL
+A57 : ILE
+A58 : PHE
+A59 : LYS
+A60 : GLU
+A61 : VAL
+A62 : SER
+A63 : SER
+A64 : ALA
+A65 : THR
+A66 : ASN
+A67 : ALA
+A68 : LEU
+A69 : ARG
+A70 : SER
+A71 : MET
+A72 : GLN
+A73 : GLY
+A74 : PHE
+A75 : PRO
+A76 : PHE
+A77 : TYR
+A78 : ASP
+A79 : LYS
+A80 : PRO
+A81 : MET
+A82 : ARG
+A83 : ILE
+A84 : GLN
+A85 : TYR
+A86 : ALA
+A87 : LYS
+A88 : THR
+A89 : ASP
+A90 : SER
+A91 : ASP
+A92 : ILE
+A93 : ILE
+A94 : ALA
+A95 : LYS
+A96 : MET
+A97 : LYS
+A98 : GLY
+A99 : THR
+A100 : PHE
+A101 : VAL
+Adjacent stackings ----------------------------------------------
+B20-B21 : adjacent_5p upward 
+B22-B23 : adjacent_5p upward 
+B23-B24 : adjacent_5p upward 
+B26-B27 : adjacent_5p upward 
+B28-B29 : adjacent_5p upward 
+B36-B37 : adjacent_5p upward 
+B37-B38 : adjacent_5p upward 
+B39-B40 : adjacent_5p upward 
+B44-B45 : adjacent_5p upward 
+B47-B48 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 10
+Number of adjacent stackings = 10
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+B19-B50 : G-C Ww/Ww pairing antiparallel cis one_hbond 
+B20-B49 : G-C Ww/Ws pairing antiparallel cis one_hbond 
+B21-B48 : C-G Ww/Ww pairing antiparallel cis XIX 
+B22-B47 : A-U Ww/Ww pairing antiparallel cis XX 
+B23-B46 : G-C Ww/Ww pairing antiparallel cis 130 
+B25-B38 : G-C Wh/Wh pairing antiparallel cis one_hbond 
+B28-B35 : C-G Ws/Ws pairing antiparallel cis one_hbond 
+B30-B34 : U-G O2'/Hh pairing 
+B40-B42 : U-G O2'/Bs pairing 
+Residue conformations -------------------------------------------
+B19 : G C3p_endo anti
+B20 : G C3p_endo anti
+B21 : C C3p_endo anti
+B22 : A C3p_endo anti
+B23 : G C3p_endo anti
+B24 : A C3p_endo anti
+B25 : G O4p_endo anti
+B26 : U C3p_endo anti
+B27 : C C4p_exo anti
+B28 : C C3p_endo anti
+B29 : U C3p_endo anti
+B30 : U C3p_exo anti
+B33 : C C3p_exo anti
+B34 : G C4p_exo syn
+B35 : G C3p_endo anti
+B36 : G C4p_exo anti
+B37 : A C3p_endo anti
+B38 : C C3p_endo anti
+B39 : A C2p_exo anti
+B40 : U C3p_endo anti
+B41 : U C3p_exo anti
+B42 : G C1p_endo syn
+B43 : C C1p_exo syn
+B44 : A C3p_endo anti
+B45 : C C3p_endo anti
+B46 : C C3p_endo anti
+B47 : U C3p_endo anti
+B48 : G C3p_endo anti
+B49 : C C3p_endo anti
+B50 : C C3p_endo anti
+A1 : ALA
+A2 : VAL
+A3 : PRO
+A4 : GLU
+A5 : THR
+A6 : ARG
+A7 : PRO
+A8 : ASN
+A9 : HIS
+A10 : THR
+A11 : ILE
+A12 : TYR
+A13 : ILE
+A14 : ASN
+A15 : ASN
+A16 : LEU
+A17 : ASN
+A18 : GLU
+A19 : LYS
+A20 : ILE
+A21 : LYS
+A22 : LYS
+A23 : ASP
+A24 : GLU
+A25 : LEU
+A26 : LYS
+A27 : LYS
+A28 : SER
+A29 : LEU
+A30 : HIS
+A31 : ALA
+A32 : ILE
+A33 : PHE
+A34 : SER
+A35 : ARG
+A36 : PHE
+A37 : GLY
+A38 : GLN
+A39 : ILE
+A40 : LEU
+A41 : ASP
+A42 : ILE
+A43 : LEU
+A44 : VAL
+A45 : SER
+A46 : ARG
+A47 : SER
+A48 : LEU
+A49 : LYS
+A50 : MET
+A51 : ARG
+A52 : GLY
+A53 : GLN
+A54 : ALA
+A55 : PHE
+A56 : VAL
+A57 : ILE
+A58 : PHE
+A59 : LYS
+A60 : GLU
+A61 : VAL
+A62 : SER
+A63 : SER
+A64 : ALA
+A65 : THR
+A66 : ASN
+A67 : ALA
+A68 : LEU
+A69 : ARG
+A70 : SER
+A71 : MET
+A72 : GLN
+A73 : GLY
+A74 : PHE
+A75 : PRO
+A76 : PHE
+A77 : TYR
+A78 : ASP
+A79 : LYS
+A80 : PRO
+A81 : MET
+A82 : ARG
+A83 : ILE
+A84 : GLN
+A85 : TYR
+A86 : ALA
+A87 : LYS
+A88 : THR
+A89 : ASP
+A90 : SER
+A91 : ASP
+A92 : ILE
+A93 : ILE
+A94 : ALA
+A95 : LYS
+A96 : MET
+A97 : LYS
+A98 : GLY
+A99 : THR
+A100 : PHE
+A101 : VAL
+Adjacent stackings ----------------------------------------------
+B20-B21 : adjacent_5p upward 
+B22-B23 : adjacent_5p upward 
+B23-B24 : adjacent_5p upward 
+B26-B27 : adjacent_5p upward 
+B28-B29 : adjacent_5p upward 
+B35-B36 : adjacent_5p upward 
+B36-B37 : adjacent_5p upward 
+B37-B38 : adjacent_5p upward 
+B39-B40 : adjacent_5p upward 
+B41-B42 : adjacent_5p outward 
+B44-B45 : adjacent_5p upward 
+B47-B48 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 12
+Number of adjacent stackings = 12
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+B19-B50 : G-C Ww/Ww pairing antiparallel cis one_hbond 
+B21-B48 : C-G Ww/Ww pairing antiparallel cis XIX 
+B22-B47 : A-U Ww/Ww pairing antiparallel cis one_hbond 
+B23-B46 : G-C Ww/Ww pairing antiparallel cis XIX 
+B26-B37 : U-A Ww/Ww pairing antiparallel cis one_hbond 
+B28-B35 : C-G Ww/Ww pairing antiparallel cis one_hbond 
+B30-B34 : U-G O2'/Hh pairing 
+Residue conformations -------------------------------------------
+B19 : G C3p_endo anti
+B20 : G C3p_endo anti
+B21 : C C3p_endo anti
+B22 : A C3p_endo anti
+B23 : G C3p_endo anti
+B24 : A C4p_exo anti
+B25 : G O4p_endo anti
+B26 : U C3p_endo anti
+B27 : C C4p_exo anti
+B28 : C C3p_endo anti
+B29 : U C3p_endo anti
+B30 : U C3p_exo anti
+B33 : C C3p_exo anti
+B34 : G C4p_exo syn
+B35 : G C3p_endo anti
+B36 : G C4p_exo anti
+B37 : A C3p_endo anti
+B38 : C C3p_endo anti
+B39 : A C3p_endo anti
+B40 : U C3p_endo anti
+B41 : U C2p_endo anti
+B42 : G C3p_endo anti
+B43 : C C2p_endo syn
+B44 : A C3p_endo anti
+B45 : C C3p_endo anti
+B46 : C C3p_endo anti
+B47 : U C3p_endo anti
+B48 : G C3p_endo anti
+B49 : C C3p_endo anti
+B50 : C C3p_endo anti
+A1 : ALA
+A2 : VAL
+A3 : PRO
+A4 : GLU
+A5 : THR
+A6 : ARG
+A7 : PRO
+A8 : ASN
+A9 : HIS
+A10 : THR
+A11 : ILE
+A12 : TYR
+A13 : ILE
+A14 : ASN
+A15 : ASN
+A16 : LEU
+A17 : ASN
+A18 : GLU
+A19 : LYS
+A20 : ILE
+A21 : LYS
+A22 : LYS
+A23 : ASP
+A24 : GLU
+A25 : LEU
+A26 : LYS
+A27 : LYS
+A28 : SER
+A29 : LEU
+A30 : HIS
+A31 : ALA
+A32 : ILE
+A33 : PHE
+A34 : SER
+A35 : ARG
+A36 : PHE
+A37 : GLY
+A38 : GLN
+A39 : ILE
+A40 : LEU
+A41 : ASP
+A42 : ILE
+A43 : LEU
+A44 : VAL
+A45 : SER
+A46 : ARG
+A47 : SER
+A48 : LEU
+A49 : LYS
+A50 : MET
+A51 : ARG
+A52 : GLY
+A53 : GLN
+A54 : ALA
+A55 : PHE
+A56 : VAL
+A57 : ILE
+A58 : PHE
+A59 : LYS
+A60 : GLU
+A61 : VAL
+A62 : SER
+A63 : SER
+A64 : ALA
+A65 : THR
+A66 : ASN
+A67 : ALA
+A68 : LEU
+A69 : ARG
+A70 : SER
+A71 : MET
+A72 : GLN
+A73 : GLY
+A74 : PHE
+A75 : PRO
+A76 : PHE
+A77 : TYR
+A78 : ASP
+A79 : LYS
+A80 : PRO
+A81 : MET
+A82 : ARG
+A83 : ILE
+A84 : GLN
+A85 : TYR
+A86 : ALA
+A87 : LYS
+A88 : THR
+A89 : ASP
+A90 : SER
+A91 : ASP
+A92 : ILE
+A93 : ILE
+A94 : ALA
+A95 : LYS
+A96 : MET
+A97 : LYS
+A98 : GLY
+A99 : THR
+A100 : PHE
+A101 : VAL
+Adjacent stackings ----------------------------------------------
+B20-B21 : adjacent_5p upward 
+B22-B23 : adjacent_5p upward 
+B23-B24 : adjacent_5p upward 
+B26-B27 : adjacent_5p upward 
+B28-B29 : adjacent_5p upward 
+B35-B36 : adjacent_5p upward 
+B37-B38 : adjacent_5p upward 
+B39-B40 : adjacent_5p upward 
+B41-B42 : adjacent_5p outward 
+B44-B45 : adjacent_5p upward 
+B47-B48 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 11
+Number of adjacent stackings = 11
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+B19-B50 : G-C Ww/Ww pairing antiparallel cis 
+B21-B48 : C-G Ww/Ww pairing antiparallel cis XIX 
+B22-B47 : A-U Ww/Ww pairing antiparallel cis XX 
+B23-B46 : G-C Ww/Ww pairing antiparallel cis XIX 
+B26-B37 : U-A Ww/Ww pairing antiparallel cis XX 
+B30-B34 : U-G O2'/Hh pairing 
+B40-B42 : U-G Ws/Ws pairing antiparallel cis one_hbond 
+Residue conformations -------------------------------------------
+B19 : G C3p_endo anti
+B20 : G C3p_endo anti
+B21 : C C4p_exo anti
+B22 : A C3p_endo anti
+B23 : G C3p_endo anti
+B24 : A C3p_endo anti
+B25 : G O4p_endo anti
+B26 : U C3p_endo anti
+B27 : C C3p_endo anti
+B28 : C C3p_endo anti
+B29 : U C4p_exo anti
+B30 : U C3p_exo anti
+B33 : C C3p_exo anti
+B34 : G C4p_exo syn
+B35 : G C3p_endo anti
+B36 : G C3p_endo anti
+B37 : A C4p_exo anti
+B38 : C C3p_endo anti
+B39 : A C3p_endo anti
+B40 : U C3p_endo anti
+B41 : U C3p_exo anti
+B42 : G C3p_endo anti
+B43 : C C1p_exo anti
+B44 : A C2p_exo anti
+B45 : C C3p_endo anti
+B46 : C C3p_endo anti
+B47 : U C3p_endo anti
+B48 : G C3p_endo anti
+B49 : C C3p_endo anti
+B50 : C C3p_endo anti
+A1 : ALA
+A2 : VAL
+A3 : PRO
+A4 : GLU
+A5 : THR
+A6 : ARG
+A7 : PRO
+A8 : ASN
+A9 : HIS
+A10 : THR
+A11 : ILE
+A12 : TYR
+A13 : ILE
+A14 : ASN
+A15 : ASN
+A16 : LEU
+A17 : ASN
+A18 : GLU
+A19 : LYS
+A20 : ILE
+A21 : LYS
+A22 : LYS
+A23 : ASP
+A24 : GLU
+A25 : LEU
+A26 : LYS
+A27 : LYS
+A28 : SER
+A29 : LEU
+A30 : HIS
+A31 : ALA
+A32 : ILE
+A33 : PHE
+A34 : SER
+A35 : ARG
+A36 : PHE
+A37 : GLY
+A38 : GLN
+A39 : ILE
+A40 : LEU
+A41 : ASP
+A42 : ILE
+A43 : LEU
+A44 : VAL
+A45 : SER
+A46 : ARG
+A47 : SER
+A48 : LEU
+A49 : LYS
+A50 : MET
+A51 : ARG
+A52 : GLY
+A53 : GLN
+A54 : ALA
+A55 : PHE
+A56 : VAL
+A57 : ILE
+A58 : PHE
+A59 : LYS
+A60 : GLU
+A61 : VAL
+A62 : SER
+A63 : SER
+A64 : ALA
+A65 : THR
+A66 : ASN
+A67 : ALA
+A68 : LEU
+A69 : ARG
+A70 : SER
+A71 : MET
+A72 : GLN
+A73 : GLY
+A74 : PHE
+A75 : PRO
+A76 : PHE
+A77 : TYR
+A78 : ASP
+A79 : LYS
+A80 : PRO
+A81 : MET
+A82 : ARG
+A83 : ILE
+A84 : GLN
+A85 : TYR
+A86 : ALA
+A87 : LYS
+A88 : THR
+A89 : ASP
+A90 : SER
+A91 : ASP
+A92 : ILE
+A93 : ILE
+A94 : ALA
+A95 : LYS
+A96 : MET
+A97 : LYS
+A98 : GLY
+A99 : THR
+A100 : PHE
+A101 : VAL
+Adjacent stackings ----------------------------------------------
+B20-B21 : adjacent_5p upward 
+B21-B22 : adjacent_5p upward 
+B22-B23 : adjacent_5p upward 
+B23-B24 : adjacent_5p upward 
+B26-B27 : adjacent_5p upward 
+B35-B36 : adjacent_5p upward 
+B36-B37 : adjacent_5p upward 
+B38-B39 : adjacent_5p upward 
+B39-B40 : adjacent_5p upward 
+B41-B42 : adjacent_5p outward pairing 
+B44-B45 : adjacent_5p upward 
+B48-B49 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 12
+Number of adjacent stackings = 12
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+B20-B49 : G-C Ww/Ww pairing antiparallel cis one_hbond 
+B21-B48 : C-G Ww/Ww pairing antiparallel cis XIX 
+B22-B47 : A-U Ww/Ww pairing antiparallel cis XX 
+B26-B37 : U-A Ww/Ww pairing antiparallel cis one_hbond 
+B27-B36 : C-G Ww/Ww pairing antiparallel cis 
+B30-B33 : U-C O2P/Bh adjacent_5p pairing 
+B41-B42 : U-G O2P/Ss adjacent_5p outward pairing 
+Residue conformations -------------------------------------------
+B19 : G C3p_endo anti
+B20 : G C3p_endo anti
+B21 : C C3p_endo anti
+B22 : A C3p_endo anti
+B23 : G C3p_endo anti
+B24 : A C3p_endo anti
+B25 : G O4p_endo anti
+B26 : U C3p_endo anti
+B27 : C C3p_endo anti
+B28 : C C3p_endo anti
+B29 : U C4p_exo anti
+B30 : U C3p_exo anti
+B33 : C C3p_exo anti
+B34 : G C4p_exo syn
+B35 : G C3p_endo anti
+B36 : G C3p_endo anti
+B37 : A C3p_endo anti
+B38 : C C3p_endo anti
+B39 : A C3p_endo anti
+B40 : U C3p_endo anti
+B41 : U C2p_endo anti
+B42 : G C3p_endo anti
+B43 : C C2p_endo anti
+B44 : A C2p_exo anti
+B45 : C C3p_endo anti
+B46 : C C3p_endo anti
+B47 : U C3p_endo anti
+B48 : G C3p_endo anti
+B49 : C C3p_endo anti
+B50 : C C3p_endo anti
+A1 : ALA
+A2 : VAL
+A3 : PRO
+A4 : GLU
+A5 : THR
+A6 : ARG
+A7 : PRO
+A8 : ASN
+A9 : HIS
+A10 : THR
+A11 : ILE
+A12 : TYR
+A13 : ILE
+A14 : ASN
+A15 : ASN
+A16 : LEU
+A17 : ASN
+A18 : GLU
+A19 : LYS
+A20 : ILE
+A21 : LYS
+A22 : LYS
+A23 : ASP
+A24 : GLU
+A25 : LEU
+A26 : LYS
+A27 : LYS
+A28 : SER
+A29 : LEU
+A30 : HIS
+A31 : ALA
+A32 : ILE
+A33 : PHE
+A34 : SER
+A35 : ARG
+A36 : PHE
+A37 : GLY
+A38 : GLN
+A39 : ILE
+A40 : LEU
+A41 : ASP
+A42 : ILE
+A43 : LEU
+A44 : VAL
+A45 : SER
+A46 : ARG
+A47 : SER
+A48 : LEU
+A49 : LYS
+A50 : MET
+A51 : ARG
+A52 : GLY
+A53 : GLN
+A54 : ALA
+A55 : PHE
+A56 : VAL
+A57 : ILE
+A58 : PHE
+A59 : LYS
+A60 : GLU
+A61 : VAL
+A62 : SER
+A63 : SER
+A64 : ALA
+A65 : THR
+A66 : ASN
+A67 : ALA
+A68 : LEU
+A69 : ARG
+A70 : SER
+A71 : MET
+A72 : GLN
+A73 : GLY
+A74 : PHE
+A75 : PRO
+A76 : PHE
+A77 : TYR
+A78 : ASP
+A79 : LYS
+A80 : PRO
+A81 : MET
+A82 : ARG
+A83 : ILE
+A84 : GLN
+A85 : TYR
+A86 : ALA
+A87 : LYS
+A88 : THR
+A89 : ASP
+A90 : SER
+A91 : ASP
+A92 : ILE
+A93 : ILE
+A94 : ALA
+A95 : LYS
+A96 : MET
+A97 : LYS
+A98 : GLY
+A99 : THR
+A100 : PHE
+A101 : VAL
+Adjacent stackings ----------------------------------------------
+B20-B21 : adjacent_5p upward 
+B21-B22 : adjacent_5p upward 
+B22-B23 : adjacent_5p upward 
+B23-B24 : adjacent_5p upward 
+B25-B26 : adjacent_5p upward 
+B26-B27 : adjacent_5p upward 
+B35-B36 : adjacent_5p upward 
+B36-B37 : adjacent_5p upward 
+B37-B38 : adjacent_5p upward 
+B39-B40 : adjacent_5p upward 
+B44-B45 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 11
+Number of adjacent stackings = 11
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+B21-B48 : C-G Ww/Ww pairing antiparallel cis XIX 
+B22-B47 : A-U Ww/Ww pairing antiparallel cis XX 
+B23-B46 : G-C Ww/Ww pairing antiparallel cis XIX 
+B26-B37 : U-A Ww/Ww pairing antiparallel cis XX 
+B29-B35 : U-G Hw/Sw pairing parallel trans one_hbond 89 
+B30-B33 : U-C O2P/Bh adjacent_5p pairing 
+Residue conformations -------------------------------------------
+B19 : G C3p_endo anti
+B20 : G C3p_endo anti
+B21 : C C3p_endo anti
+B22 : A C3p_endo anti
+B23 : G C3p_endo anti
+B24 : A C3p_endo anti
+B25 : G O4p_endo anti
+B26 : U C3p_endo anti
+B27 : C C4p_exo anti
+B28 : C C3p_endo anti
+B29 : U C3p_endo anti
+B30 : U C3p_exo anti
+B33 : C C3p_exo anti
+B34 : G C4p_exo syn
+B35 : G C3p_endo anti
+B36 : G C4p_exo anti
+B37 : A C3p_endo anti
+B38 : C C3p_endo anti
+B39 : A C2p_exo anti
+B40 : U C3p_endo anti
+B41 : U C2p_endo anti
+B42 : G C3p_endo anti
+B43 : C C2p_endo anti
+B44 : A C3p_endo anti
+B45 : C C3p_endo anti
+B46 : C C3p_endo anti
+B47 : U C3p_endo anti
+B48 : G C3p_endo anti
+B49 : C C3p_endo anti
+B50 : C C3p_endo anti
+A1 : ALA
+A2 : VAL
+A3 : PRO
+A4 : GLU
+A5 : THR
+A6 : ARG
+A7 : PRO
+A8 : ASN
+A9 : HIS
+A10 : THR
+A11 : ILE
+A12 : TYR
+A13 : ILE
+A14 : ASN
+A15 : ASN
+A16 : LEU
+A17 : ASN
+A18 : GLU
+A19 : LYS
+A20 : ILE
+A21 : LYS
+A22 : LYS
+A23 : ASP
+A24 : GLU
+A25 : LEU
+A26 : LYS
+A27 : LYS
+A28 : SER
+A29 : LEU
+A30 : HIS
+A31 : ALA
+A32 : ILE
+A33 : PHE
+A34 : SER
+A35 : ARG
+A36 : PHE
+A37 : GLY
+A38 : GLN
+A39 : ILE
+A40 : LEU
+A41 : ASP
+A42 : ILE
+A43 : LEU
+A44 : VAL
+A45 : SER
+A46 : ARG
+A47 : SER
+A48 : LEU
+A49 : LYS
+A50 : MET
+A51 : ARG
+A52 : GLY
+A53 : GLN
+A54 : ALA
+A55 : PHE
+A56 : VAL
+A57 : ILE
+A58 : PHE
+A59 : LYS
+A60 : GLU
+A61 : VAL
+A62 : SER
+A63 : SER
+A64 : ALA
+A65 : THR
+A66 : ASN
+A67 : ALA
+A68 : LEU
+A69 : ARG
+A70 : SER
+A71 : MET
+A72 : GLN
+A73 : GLY
+A74 : PHE
+A75 : PRO
+A76 : PHE
+A77 : TYR
+A78 : ASP
+A79 : LYS
+A80 : PRO
+A81 : MET
+A82 : ARG
+A83 : ILE
+A84 : GLN
+A85 : TYR
+A86 : ALA
+A87 : LYS
+A88 : THR
+A89 : ASP
+A90 : SER
+A91 : ASP
+A92 : ILE
+A93 : ILE
+A94 : ALA
+A95 : LYS
+A96 : MET
+A97 : LYS
+A98 : GLY
+A99 : THR
+A100 : PHE
+A101 : VAL
+Adjacent stackings ----------------------------------------------
+B20-B21 : adjacent_5p upward 
+B22-B23 : adjacent_5p upward 
+B23-B24 : adjacent_5p upward 
+B26-B27 : adjacent_5p upward 
+B34-B35 : adjacent_5p outward 
+B35-B36 : adjacent_5p upward 
+B37-B38 : adjacent_5p upward 
+B39-B40 : adjacent_5p upward 
+B44-B45 : adjacent_5p upward 
+B47-B48 : adjacent_5p upward 
+B49-B50 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+B25-B39 : outward 
+Number of stackings = 12
+Number of adjacent stackings = 11
+Number of non adjacent stackings = 1
+Base-pairs ------------------------------------------------------
+B19-B50 : G-C Ww/Ww pairing antiparallel cis one_hbond 
+B21-B48 : C-G Ww/Ww pairing antiparallel cis XIX 
+B22-B47 : A-U Ww/Ww pairing antiparallel cis XX 
+B23-B46 : G-C Ww/Ww pairing antiparallel cis one_hbond 
+B26-B37 : U-A Ww/Ww pairing antiparallel cis XX 
+B27-B36 : C-G Ws/Ws pairing antiparallel cis one_hbond 
+B28-B35 : C-G Ws/Ww pairing antiparallel cis one_hbond 
+B30-B34 : U-G O2'/Hh pairing 
+B40-B42 : U-G Bs/Bs O2'/Bs pairing antiparallel cis one_hbond 
+Residue conformations -------------------------------------------
+B19 : G C3p_endo anti
+B20 : G C3p_endo anti
+B21 : C C3p_endo anti
+B22 : A C3p_endo anti
+B23 : G C3p_endo anti
+B24 : A C3p_endo anti
+B25 : G O4p_endo anti
+B26 : U C3p_endo anti
+B27 : C C4p_exo anti
+B28 : C C3p_endo anti
+B29 : U C3p_endo anti
+B30 : U C3p_exo anti
+B33 : C C3p_exo anti
+B34 : G C3p_endo syn
+B35 : G C3p_endo anti
+B36 : G C4p_exo anti
+B37 : A C3p_endo anti
+B38 : C C3p_endo anti
+B39 : A C3p_endo anti
+B40 : U C3p_endo anti
+B41 : U C2p_endo anti
+B42 : G C3p_endo anti
+B43 : C C4p_endo syn
+B44 : A C2p_exo anti
+B45 : C C3p_endo anti
+B46 : C C3p_endo anti
+B47 : U C3p_endo anti
+B48 : G C3p_endo anti
+B49 : C C3p_endo anti
+B50 : C C3p_endo anti
+A1 : ALA
+A2 : VAL
+A3 : PRO
+A4 : GLU
+A5 : THR
+A6 : ARG
+A7 : PRO
+A8 : ASN
+A9 : HIS
+A10 : THR
+A11 : ILE
+A12 : TYR
+A13 : ILE
+A14 : ASN
+A15 : ASN
+A16 : LEU
+A17 : ASN
+A18 : GLU
+A19 : LYS
+A20 : ILE
+A21 : LYS
+A22 : LYS
+A23 : ASP
+A24 : GLU
+A25 : LEU
+A26 : LYS
+A27 : LYS
+A28 : SER
+A29 : LEU
+A30 : HIS
+A31 : ALA
+A32 : ILE
+A33 : PHE
+A34 : SER
+A35 : ARG
+A36 : PHE
+A37 : GLY
+A38 : GLN
+A39 : ILE
+A40 : LEU
+A41 : ASP
+A42 : ILE
+A43 : LEU
+A44 : VAL
+A45 : SER
+A46 : ARG
+A47 : SER
+A48 : LEU
+A49 : LYS
+A50 : MET
+A51 : ARG
+A52 : GLY
+A53 : GLN
+A54 : ALA
+A55 : PHE
+A56 : VAL
+A57 : ILE
+A58 : PHE
+A59 : LYS
+A60 : GLU
+A61 : VAL
+A62 : SER
+A63 : SER
+A64 : ALA
+A65 : THR
+A66 : ASN
+A67 : ALA
+A68 : LEU
+A69 : ARG
+A70 : SER
+A71 : MET
+A72 : GLN
+A73 : GLY
+A74 : PHE
+A75 : PRO
+A76 : PHE
+A77 : TYR
+A78 : ASP
+A79 : LYS
+A80 : PRO
+A81 : MET
+A82 : ARG
+A83 : ILE
+A84 : GLN
+A85 : TYR
+A86 : ALA
+A87 : LYS
+A88 : THR
+A89 : ASP
+A90 : SER
+A91 : ASP
+A92 : ILE
+A93 : ILE
+A94 : ALA
+A95 : LYS
+A96 : MET
+A97 : LYS
+A98 : GLY
+A99 : THR
+A100 : PHE
+A101 : VAL
+Adjacent stackings ----------------------------------------------
+B19-B20 : adjacent_5p upward 
+B20-B21 : adjacent_5p upward 
+B22-B23 : adjacent_5p upward 
+B23-B24 : adjacent_5p upward 
+B26-B27 : adjacent_5p upward 
+B28-B29 : adjacent_5p upward 
+B35-B36 : adjacent_5p upward 
+B37-B38 : adjacent_5p upward 
+B39-B40 : adjacent_5p upward 
+B44-B45 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 10
+Number of adjacent stackings = 10
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+B21-B48 : C-G Ww/Ww pairing antiparallel cis XIX 
+B22-B47 : A-U Ww/Ww pairing antiparallel cis XX 
+B24-B46 : A-C Ss/Wh pairing antiparallel cis one_hbond 74 
+B26-B37 : U-A Ww/Ww pairing antiparallel cis XX 
+B27-B36 : C-G Ws/Ww pairing antiparallel cis one_hbond 
+B28-B35 : C-G Ww/Ww pairing antiparallel cis 
+B30-B34 : U-G O2'/Hh pairing 
+B40-B42 : U-G Bs/Bs O2'/Bs pairing antiparallel cis one_hbond 
+Residue conformations -------------------------------------------
+B19 : G C4p_endo anti
+B20 : G C3p_endo anti
+B21 : C C3p_endo anti
+B22 : A C3p_endo anti
+B23 : G C3p_endo anti
+B24 : A C3p_endo anti
+B25 : G C4p_exo anti
+B26 : U C3p_endo anti
+B27 : C C4p_exo anti
+B28 : C C3p_endo anti
+B29 : U C3p_endo anti
+B30 : U C3p_exo anti
+B33 : C C3p_exo anti
+B34 : G C4p_exo syn
+B35 : G C3p_endo anti
+B36 : G C4p_exo anti
+B37 : A C3p_endo anti
+B38 : C C3p_endo anti
+B39 : A C3p_endo anti
+B40 : U C3p_endo anti
+B41 : U C2p_endo anti
+B42 : G C3p_endo anti
+B43 : C C2p_endo anti
+B44 : A C3p_endo anti
+B45 : C C3p_endo anti
+B46 : C C3p_endo anti
+B47 : U C3p_endo anti
+B48 : G C3p_endo anti
+B49 : C C3p_endo anti
+B50 : C C3p_endo anti
+A1 : ALA
+A2 : VAL
+A3 : PRO
+A4 : GLU
+A5 : THR
+A6 : ARG
+A7 : PRO
+A8 : ASN
+A9 : HIS
+A10 : THR
+A11 : ILE
+A12 : TYR
+A13 : ILE
+A14 : ASN
+A15 : ASN
+A16 : LEU
+A17 : ASN
+A18 : GLU
+A19 : LYS
+A20 : ILE
+A21 : LYS
+A22 : LYS
+A23 : ASP
+A24 : GLU
+A25 : LEU
+A26 : LYS
+A27 : LYS
+A28 : SER
+A29 : LEU
+A30 : HIS
+A31 : ALA
+A32 : ILE
+A33 : PHE
+A34 : SER
+A35 : ARG
+A36 : PHE
+A37 : GLY
+A38 : GLN
+A39 : ILE
+A40 : LEU
+A41 : ASP
+A42 : ILE
+A43 : LEU
+A44 : VAL
+A45 : SER
+A46 : ARG
+A47 : SER
+A48 : LEU
+A49 : LYS
+A50 : MET
+A51 : ARG
+A52 : GLY
+A53 : GLN
+A54 : ALA
+A55 : PHE
+A56 : VAL
+A57 : ILE
+A58 : PHE
+A59 : LYS
+A60 : GLU
+A61 : VAL
+A62 : SER
+A63 : SER
+A64 : ALA
+A65 : THR
+A66 : ASN
+A67 : ALA
+A68 : LEU
+A69 : ARG
+A70 : SER
+A71 : MET
+A72 : GLN
+A73 : GLY
+A74 : PHE
+A75 : PRO
+A76 : PHE
+A77 : TYR
+A78 : ASP
+A79 : LYS
+A80 : PRO
+A81 : MET
+A82 : ARG
+A83 : ILE
+A84 : GLN
+A85 : TYR
+A86 : ALA
+A87 : LYS
+A88 : THR
+A89 : ASP
+A90 : SER
+A91 : ASP
+A92 : ILE
+A93 : ILE
+A94 : ALA
+A95 : LYS
+A96 : MET
+A97 : LYS
+A98 : GLY
+A99 : THR
+A100 : PHE
+A101 : VAL
+Adjacent stackings ----------------------------------------------
+B21-B22 : adjacent_5p upward 
+B22-B23 : adjacent_5p upward 
+B23-B24 : adjacent_5p upward 
+B26-B27 : adjacent_5p upward 
+B28-B29 : adjacent_5p upward 
+B34-B35 : adjacent_5p outward 
+B35-B36 : adjacent_5p upward 
+B39-B40 : adjacent_5p upward 
+B44-B45 : adjacent_5p upward 
+B48-B49 : adjacent_5p upward 
+B49-B50 : adjacent_5p inward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 11
+Number of adjacent stackings = 11
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+B19-B20 : G-G O2'/C8 adjacent_5p pairing 
+B20-B49 : G-C Ws/Ww pairing antiparallel cis one_hbond 
+B21-B48 : C-G Ww/Ww pairing antiparallel cis XIX 
+B22-B47 : A-U Wh/Wh pairing antiparallel cis one_hbond 
+B23-B46 : G-C Wh/Wh pairing antiparallel cis one_hbond 
+B26-B37 : U-A Ww/Ww pairing antiparallel cis XX 
+B28-B35 : C-G Ww/Wh pairing antiparallel cis one_hbond 
+B40-B42 : U-G Ss/Ws O2'/Bs pairing antiparallel cis one_hbond 84 
+Residue conformations -------------------------------------------
+B19 : G C3p_endo anti
+B20 : G C3p_endo anti
+B21 : C C3p_endo anti
+B22 : A C3p_endo anti
+B23 : G C3p_endo anti
+B24 : A C3p_endo anti
+B25 : G O4p_endo anti
+B26 : U C4p_exo anti
+B27 : C C3p_endo anti
+B28 : C C3p_endo anti
+B29 : U C3p_endo anti
+B30 : U C3p_exo anti
+B33 : C C3p_exo anti
+B34 : G C3p_endo syn
+B35 : G C3p_endo anti
+B36 : G C4p_exo anti
+B37 : A C3p_endo anti
+B38 : C C3p_endo anti
+B39 : A C2p_exo anti
+B40 : U C3p_endo anti
+B41 : U C3p_exo anti
+B42 : G C3p_endo anti
+B43 : C C2p_endo anti
+B44 : A C3p_endo anti
+B45 : C C3p_endo anti
+B46 : C C3p_endo anti
+B47 : U C3p_endo anti
+B48 : G C3p_endo anti
+B49 : C C3p_endo anti
+B50 : C C3p_endo anti
+A1 : ALA
+A2 : VAL
+A3 : PRO
+A4 : GLU
+A5 : THR
+A6 : ARG
+A7 : PRO
+A8 : ASN
+A9 : HIS
+A10 : THR
+A11 : ILE
+A12 : TYR
+A13 : ILE
+A14 : ASN
+A15 : ASN
+A16 : LEU
+A17 : ASN
+A18 : GLU
+A19 : LYS
+A20 : ILE
+A21 : LYS
+A22 : LYS
+A23 : ASP
+A24 : GLU
+A25 : LEU
+A26 : LYS
+A27 : LYS
+A28 : SER
+A29 : LEU
+A30 : HIS
+A31 : ALA
+A32 : ILE
+A33 : PHE
+A34 : SER
+A35 : ARG
+A36 : PHE
+A37 : GLY
+A38 : GLN
+A39 : ILE
+A40 : LEU
+A41 : ASP
+A42 : ILE
+A43 : LEU
+A44 : VAL
+A45 : SER
+A46 : ARG
+A47 : SER
+A48 : LEU
+A49 : LYS
+A50 : MET
+A51 : ARG
+A52 : GLY
+A53 : GLN
+A54 : ALA
+A55 : PHE
+A56 : VAL
+A57 : ILE
+A58 : PHE
+A59 : LYS
+A60 : GLU
+A61 : VAL
+A62 : SER
+A63 : SER
+A64 : ALA
+A65 : THR
+A66 : ASN
+A67 : ALA
+A68 : LEU
+A69 : ARG
+A70 : SER
+A71 : MET
+A72 : GLN
+A73 : GLY
+A74 : PHE
+A75 : PRO
+A76 : PHE
+A77 : TYR
+A78 : ASP
+A79 : LYS
+A80 : PRO
+A81 : MET
+A82 : ARG
+A83 : ILE
+A84 : GLN
+A85 : TYR
+A86 : ALA
+A87 : LYS
+A88 : THR
+A89 : ASP
+A90 : SER
+A91 : ASP
+A92 : ILE
+A93 : ILE
+A94 : ALA
+A95 : LYS
+A96 : MET
+A97 : LYS
+A98 : GLY
+A99 : THR
+A100 : PHE
+A101 : VAL
+Adjacent stackings ----------------------------------------------
+B20-B21 : adjacent_5p upward 
+B22-B23 : adjacent_5p upward 
+B23-B24 : adjacent_5p upward 
+B26-B27 : adjacent_5p upward 
+B28-B29 : adjacent_5p upward 
+B34-B35 : adjacent_5p outward 
+B35-B36 : adjacent_5p upward 
+B36-B37 : adjacent_5p upward 
+B38-B39 : adjacent_5p upward 
+B39-B40 : adjacent_5p upward 
+B44-B45 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 11
+Number of adjacent stackings = 11
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+B19-B50 : G-C Wh/Wh pairing antiparallel cis one_hbond 
+B21-B48 : C-G Ww/Ww pairing antiparallel cis XIX 
+B22-B47 : A-U Ww/Ww pairing antiparallel cis XX 
+B23-B46 : G-C Ww/Ww pairing antiparallel cis one_hbond 
+B24-B46 : A-C Ss/Wh pairing antiparallel cis one_hbond 74 
+B26-B37 : U-A Wh/Wh pairing antiparallel cis one_hbond 
+B28-B35 : C-G Wh/Wh pairing antiparallel cis one_hbond 
+B30-B34 : U-G O2'/Hh pairing 
+B40-B42 : U-G O2'/Bs pairing 
+Residue conformations -------------------------------------------
+B19 : G C4p_exo anti
+B20 : G C3p_endo anti
+B21 : C C3p_endo anti
+B22 : A C3p_endo anti
+B23 : G C3p_endo anti
+B24 : A C4p_exo anti
+B25 : G O4p_endo anti
+B26 : U C3p_endo anti
+B27 : C C3p_endo anti
+B28 : C C3p_endo anti
+B29 : U C3p_endo anti
+B30 : U C3p_exo anti
+B33 : C C3p_exo anti
+B34 : G C3p_endo syn
+B35 : G C3p_endo anti
+B36 : G C4p_exo anti
+B37 : A C3p_endo anti
+B38 : C C3p_endo anti
+B39 : A C3p_endo anti
+B40 : U C3p_endo anti
+B41 : U C3p_exo anti
+B42 : G C3p_endo anti
+B43 : C C2p_endo anti
+B44 : A C3p_endo anti
+B45 : C C4p_exo anti
+B46 : C C3p_endo anti
+B47 : U C3p_endo anti
+B48 : G C3p_endo anti
+B49 : C C3p_endo anti
+B50 : C C3p_endo anti
+A1 : ALA
+A2 : VAL
+A3 : PRO
+A4 : GLU
+A5 : THR
+A6 : ARG
+A7 : PRO
+A8 : ASN
+A9 : HIS
+A10 : THR
+A11 : ILE
+A12 : TYR
+A13 : ILE
+A14 : ASN
+A15 : ASN
+A16 : LEU
+A17 : ASN
+A18 : GLU
+A19 : LYS
+A20 : ILE
+A21 : LYS
+A22 : LYS
+A23 : ASP
+A24 : GLU
+A25 : LEU
+A26 : LYS
+A27 : LYS
+A28 : SER
+A29 : LEU
+A30 : HIS
+A31 : ALA
+A32 : ILE
+A33 : PHE
+A34 : SER
+A35 : ARG
+A36 : PHE
+A37 : GLY
+A38 : GLN
+A39 : ILE
+A40 : LEU
+A41 : ASP
+A42 : ILE
+A43 : LEU
+A44 : VAL
+A45 : SER
+A46 : ARG
+A47 : SER
+A48 : LEU
+A49 : LYS
+A50 : MET
+A51 : ARG
+A52 : GLY
+A53 : GLN
+A54 : ALA
+A55 : PHE
+A56 : VAL
+A57 : ILE
+A58 : PHE
+A59 : LYS
+A60 : GLU
+A61 : VAL
+A62 : SER
+A63 : SER
+A64 : ALA
+A65 : THR
+A66 : ASN
+A67 : ALA
+A68 : LEU
+A69 : ARG
+A70 : SER
+A71 : MET
+A72 : GLN
+A73 : GLY
+A74 : PHE
+A75 : PRO
+A76 : PHE
+A77 : TYR
+A78 : ASP
+A79 : LYS
+A80 : PRO
+A81 : MET
+A82 : ARG
+A83 : ILE
+A84 : GLN
+A85 : TYR
+A86 : ALA
+A87 : LYS
+A88 : THR
+A89 : ASP
+A90 : SER
+A91 : ASP
+A92 : ILE
+A93 : ILE
+A94 : ALA
+A95 : LYS
+A96 : MET
+A97 : LYS
+A98 : GLY
+A99 : THR
+A100 : PHE
+A101 : VAL
+Adjacent stackings ----------------------------------------------
+B20-B21 : adjacent_5p upward 
+B22-B23 : adjacent_5p upward 
+B23-B24 : adjacent_5p upward 
+B28-B29 : adjacent_5p upward 
+B34-B35 : adjacent_5p outward 
+B35-B36 : adjacent_5p upward 
+B38-B39 : adjacent_5p upward 
+B39-B40 : adjacent_5p upward 
+B41-B42 : adjacent_5p outward 
+B44-B45 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 10
+Number of adjacent stackings = 10
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+B21-B48 : C-G Ww/Ww pairing antiparallel cis XIX 
+B22-B47 : A-U Ww/Ww pairing antiparallel cis one_hbond 
+B23-B46 : G-C Ww/Ww pairing antiparallel cis XIX 
+B26-B37 : U-A Ww/Ww pairing antiparallel cis XX 
+B28-B35 : C-G Ww/Ww pairing antiparallel cis one_hbond 
+B30-B34 : U-G O2'/Hh pairing 
+Residue conformations -------------------------------------------
+B19 : G C3p_endo anti
+B20 : G C3p_endo anti
+B21 : C C3p_endo anti
+B22 : A C3p_endo anti
+B23 : G C3p_endo anti
+B24 : A O4p_endo anti
+B25 : G C4p_exo anti
+B26 : U C3p_endo anti
+B27 : C C3p_endo anti
+B28 : C C3p_endo anti
+B29 : U C3p_endo anti
+B30 : U C3p_exo anti
+B33 : C C3p_exo anti
+B34 : G C4p_exo syn
+B35 : G C3p_endo anti
+B36 : G C3p_endo anti
+B37 : A C3p_endo anti
+B38 : C C3p_endo anti
+B39 : A C3p_endo anti
+B40 : U C3p_endo anti
+B41 : U C3p_exo anti
+B42 : G C3p_endo anti
+B43 : C C2p_endo anti
+B44 : A C3p_endo anti
+B45 : C C3p_endo anti
+B46 : C C3p_endo anti
+B47 : U C3p_endo anti
+B48 : G C3p_endo anti
+B49 : C C3p_endo anti
+B50 : C C3p_endo anti
+A1 : ALA
+A2 : VAL
+A3 : PRO
+A4 : GLU
+A5 : THR
+A6 : ARG
+A7 : PRO
+A8 : ASN
+A9 : HIS
+A10 : THR
+A11 : ILE
+A12 : TYR
+A13 : ILE
+A14 : ASN
+A15 : ASN
+A16 : LEU
+A17 : ASN
+A18 : GLU
+A19 : LYS
+A20 : ILE
+A21 : LYS
+A22 : LYS
+A23 : ASP
+A24 : GLU
+A25 : LEU
+A26 : LYS
+A27 : LYS
+A28 : SER
+A29 : LEU
+A30 : HIS
+A31 : ALA
+A32 : ILE
+A33 : PHE
+A34 : SER
+A35 : ARG
+A36 : PHE
+A37 : GLY
+A38 : GLN
+A39 : ILE
+A40 : LEU
+A41 : ASP
+A42 : ILE
+A43 : LEU
+A44 : VAL
+A45 : SER
+A46 : ARG
+A47 : SER
+A48 : LEU
+A49 : LYS
+A50 : MET
+A51 : ARG
+A52 : GLY
+A53 : GLN
+A54 : ALA
+A55 : PHE
+A56 : VAL
+A57 : ILE
+A58 : PHE
+A59 : LYS
+A60 : GLU
+A61 : VAL
+A62 : SER
+A63 : SER
+A64 : ALA
+A65 : THR
+A66 : ASN
+A67 : ALA
+A68 : LEU
+A69 : ARG
+A70 : SER
+A71 : MET
+A72 : GLN
+A73 : GLY
+A74 : PHE
+A75 : PRO
+A76 : PHE
+A77 : TYR
+A78 : ASP
+A79 : LYS
+A80 : PRO
+A81 : MET
+A82 : ARG
+A83 : ILE
+A84 : GLN
+A85 : TYR
+A86 : ALA
+A87 : LYS
+A88 : THR
+A89 : ASP
+A90 : SER
+A91 : ASP
+A92 : ILE
+A93 : ILE
+A94 : ALA
+A95 : LYS
+A96 : MET
+A97 : LYS
+A98 : GLY
+A99 : THR
+A100 : PHE
+A101 : VAL
+Adjacent stackings ----------------------------------------------
+B20-B21 : adjacent_5p upward 
+B21-B22 : adjacent_5p upward 
+B22-B23 : adjacent_5p upward 
+B23-B24 : adjacent_5p upward 
+B25-B26 : adjacent_5p upward pairing 
+B26-B27 : adjacent_5p upward 
+B36-B37 : adjacent_5p upward 
+B38-B39 : adjacent_5p upward 
+B39-B40 : adjacent_5p upward 
+B44-B45 : adjacent_5p upward 
+B49-B50 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 11
+Number of adjacent stackings = 11
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+B19-B50 : G-C Ww/Ww pairing antiparallel cis 
+B22-B47 : A-U Ww/Ww pairing antiparallel cis one_hbond 
+B23-B46 : G-C Ww/Ww pairing antiparallel cis XIX 
+B25-B26 : G-U O2'/Hh adjacent_5p upward pairing 
+B26-B37 : U-A Ww/Ww pairing antiparallel cis XX 
+B27-B36 : C-G Ww/Ww pairing antiparallel cis 
+B28-B35 : C-G Ws/Ws pairing antiparallel cis one_hbond 
+B30-B34 : U-G O2'/Hh pairing 
+Residue conformations -------------------------------------------
+B19 : G C3p_endo anti
+B20 : G C3p_endo anti
+B21 : C C4p_exo anti
+B22 : A C3p_endo anti
+B23 : G C2p_exo anti
+B24 : A C3p_endo anti
+B25 : G C4p_exo anti
+B26 : U C3p_endo anti
+B27 : C C4p_exo anti
+B28 : C C3p_endo anti
+B29 : U C3p_endo anti
+B30 : U C3p_exo anti
+B33 : C C3p_exo anti
+B34 : G C3p_endo syn
+B35 : G C3p_endo anti
+B36 : G C4p_exo anti
+B37 : A C3p_endo anti
+B38 : C C3p_endo anti
+B39 : A C3p_endo anti
+B40 : U C3p_endo anti
+B41 : U C2p_endo anti
+B42 : G C1p_endo anti
+B43 : C C2p_endo anti
+B44 : A C2p_exo anti
+B45 : C C3p_endo anti
+B46 : C C3p_endo anti
+B47 : U C3p_endo anti
+B48 : G C3p_endo anti
+B49 : C C3p_endo anti
+B50 : C C3p_endo anti
+A1 : ALA
+A2 : VAL
+A3 : PRO
+A4 : GLU
+A5 : THR
+A6 : ARG
+A7 : PRO
+A8 : ASN
+A9 : HIS
+A10 : THR
+A11 : ILE
+A12 : TYR
+A13 : ILE
+A14 : ASN
+A15 : ASN
+A16 : LEU
+A17 : ASN
+A18 : GLU
+A19 : LYS
+A20 : ILE
+A21 : LYS
+A22 : LYS
+A23 : ASP
+A24 : GLU
+A25 : LEU
+A26 : LYS
+A27 : LYS
+A28 : SER
+A29 : LEU
+A30 : HIS
+A31 : ALA
+A32 : ILE
+A33 : PHE
+A34 : SER
+A35 : ARG
+A36 : PHE
+A37 : GLY
+A38 : GLN
+A39 : ILE
+A40 : LEU
+A41 : ASP
+A42 : ILE
+A43 : LEU
+A44 : VAL
+A45 : SER
+A46 : ARG
+A47 : SER
+A48 : LEU
+A49 : LYS
+A50 : MET
+A51 : ARG
+A52 : GLY
+A53 : GLN
+A54 : ALA
+A55 : PHE
+A56 : VAL
+A57 : ILE
+A58 : PHE
+A59 : LYS
+A60 : GLU
+A61 : VAL
+A62 : SER
+A63 : SER
+A64 : ALA
+A65 : THR
+A66 : ASN
+A67 : ALA
+A68 : LEU
+A69 : ARG
+A70 : SER
+A71 : MET
+A72 : GLN
+A73 : GLY
+A74 : PHE
+A75 : PRO
+A76 : PHE
+A77 : TYR
+A78 : ASP
+A79 : LYS
+A80 : PRO
+A81 : MET
+A82 : ARG
+A83 : ILE
+A84 : GLN
+A85 : TYR
+A86 : ALA
+A87 : LYS
+A88 : THR
+A89 : ASP
+A90 : SER
+A91 : ASP
+A92 : ILE
+A93 : ILE
+A94 : ALA
+A95 : LYS
+A96 : MET
+A97 : LYS
+A98 : GLY
+A99 : THR
+A100 : PHE
+A101 : VAL
+Adjacent stackings ----------------------------------------------
+B20-B21 : adjacent_5p upward 
+B22-B23 : adjacent_5p upward 
+B23-B24 : adjacent_5p upward 
+B26-B27 : adjacent_5p upward 
+B28-B29 : adjacent_5p upward 
+B34-B35 : adjacent_5p outward 
+B35-B36 : adjacent_5p upward 
+B37-B38 : adjacent_5p upward 
+B38-B39 : adjacent_5p upward 
+B39-B40 : adjacent_5p upward 
+B44-B45 : adjacent_5p upward 
+B47-B48 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 12
+Number of adjacent stackings = 12
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+B20-B49 : G-C Ww/Ww pairing antiparallel cis one_hbond 
+B21-B48 : C-G Ww/Ww pairing antiparallel cis XIX 
+B22-B47 : A-U Ww/Ww pairing antiparallel cis XX 
+B23-B46 : G-C Ww/Ww pairing antiparallel cis 130 
+B25-B38 : G-C Ww/Ww pairing antiparallel cis one_hbond 
+B26-B37 : U-A Ww/Ww pairing antiparallel cis XX 
+B28-B35 : C-G Ww/Wh pairing antiparallel cis one_hbond 
+B30-B34 : U-G O2'/Hh pairing 
+B40-B42 : U-G O2'/Bs pairing 
+Residue conformations -------------------------------------------
+B19 : G C3p_exo anti
+B20 : G C3p_endo anti
+B21 : C C3p_endo anti
+B22 : A C3p_endo anti
+B23 : G C3p_endo anti
+B24 : A C4p_exo anti
+B25 : G C4p_exo anti
+B26 : U C4p_exo anti
+B27 : C C4p_exo anti
+B28 : C C3p_endo anti
+B29 : U C3p_endo anti
+B30 : U C3p_exo anti
+B33 : C C4p_endo syn
+B34 : G C4p_exo syn
+B35 : G C3p_endo anti
+B36 : G C4p_exo anti
+B37 : A C3p_endo anti
+B38 : C C3p_endo anti
+B39 : A C3p_endo anti
+B40 : U C3p_endo anti
+B41 : U C2p_endo anti
+B42 : G C3p_endo anti
+B43 : C C2p_endo anti
+B44 : A C3p_endo anti
+B45 : C C3p_endo anti
+B46 : C C3p_endo anti
+B47 : U C3p_endo anti
+B48 : G C3p_endo anti
+B49 : C C3p_endo anti
+B50 : C C3p_endo anti
+A1 : ALA
+A2 : VAL
+A3 : PRO
+A4 : GLU
+A5 : THR
+A6 : ARG
+A7 : PRO
+A8 : ASN
+A9 : HIS
+A10 : THR
+A11 : ILE
+A12 : TYR
+A13 : ILE
+A14 : ASN
+A15 : ASN
+A16 : LEU
+A17 : ASN
+A18 : GLU
+A19 : LYS
+A20 : ILE
+A21 : LYS
+A22 : LYS
+A23 : ASP
+A24 : GLU
+A25 : LEU
+A26 : LYS
+A27 : LYS
+A28 : SER
+A29 : LEU
+A30 : HIS
+A31 : ALA
+A32 : ILE
+A33 : PHE
+A34 : SER
+A35 : ARG
+A36 : PHE
+A37 : GLY
+A38 : GLN
+A39 : ILE
+A40 : LEU
+A41 : ASP
+A42 : ILE
+A43 : LEU
+A44 : VAL
+A45 : SER
+A46 : ARG
+A47 : SER
+A48 : LEU
+A49 : LYS
+A50 : MET
+A51 : ARG
+A52 : GLY
+A53 : GLN
+A54 : ALA
+A55 : PHE
+A56 : VAL
+A57 : ILE
+A58 : PHE
+A59 : LYS
+A60 : GLU
+A61 : VAL
+A62 : SER
+A63 : SER
+A64 : ALA
+A65 : THR
+A66 : ASN
+A67 : ALA
+A68 : LEU
+A69 : ARG
+A70 : SER
+A71 : MET
+A72 : GLN
+A73 : GLY
+A74 : PHE
+A75 : PRO
+A76 : PHE
+A77 : TYR
+A78 : ASP
+A79 : LYS
+A80 : PRO
+A81 : MET
+A82 : ARG
+A83 : ILE
+A84 : GLN
+A85 : TYR
+A86 : ALA
+A87 : LYS
+A88 : THR
+A89 : ASP
+A90 : SER
+A91 : ASP
+A92 : ILE
+A93 : ILE
+A94 : ALA
+A95 : LYS
+A96 : MET
+A97 : LYS
+A98 : GLY
+A99 : THR
+A100 : PHE
+A101 : VAL
+Adjacent stackings ----------------------------------------------
+B20-B21 : adjacent_5p upward 
+B22-B23 : adjacent_5p upward 
+B23-B24 : adjacent_5p upward 
+B26-B27 : adjacent_5p upward 
+B28-B29 : adjacent_5p upward 
+B33-B34 : adjacent_5p inward 
+B35-B36 : adjacent_5p upward 
+B36-B37 : adjacent_5p upward 
+B38-B39 : adjacent_5p upward 
+B39-B40 : adjacent_5p upward 
+B44-B45 : adjacent_5p upward 
+B46-B47 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 12
+Number of adjacent stackings = 12
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+B19-B20 : G-G O2'/C8 adjacent_5p pairing 
+B21-B48 : C-G Ww/Ww pairing antiparallel cis XIX 
+B22-B47 : A-U Ww/Ww pairing antiparallel cis XX 
+B23-B46 : G-C Ws/Ws pairing antiparallel cis one_hbond 
+B25-B38 : G-C Ww/Ww pairing antiparallel cis one_hbond 
+B28-B35 : C-G Ww/Ww pairing antiparallel cis one_hbond 
+B30-B33 : U-C O2'/Ww O2'/Bh adjacent_5p pairing 
+B40-B42 : U-G O2'/Bs pairing 
+Residue conformations -------------------------------------------
+B19 : G C3p_endo anti
+B20 : G C3p_endo anti
+B21 : C C3p_endo anti
+B22 : A C3p_endo anti
+B23 : G C3p_endo anti
+B24 : A C3p_endo anti
+B25 : G O4p_endo anti
+B26 : U C3p_endo anti
+B27 : C C4p_exo anti
+B28 : C C3p_endo anti
+B29 : U C3p_endo anti
+B30 : U C3p_exo anti
+B33 : C C3p_exo anti
+B34 : G C3p_endo syn
+B35 : G C3p_endo anti
+B36 : G C4p_exo anti
+B37 : A C3p_endo anti
+B38 : C C3p_endo anti
+B39 : A C2p_exo anti
+B40 : U C3p_endo anti
+B41 : U C3p_exo anti
+B42 : G C3p_endo anti
+B43 : C C2p_endo anti
+B44 : A C3p_endo anti
+B45 : C C3p_endo anti
+B46 : C C4p_exo anti
+B47 : U C3p_endo anti
+B48 : G C3p_endo anti
+B49 : C C3p_endo anti
+B50 : C C3p_endo anti
+A1 : ALA
+A2 : VAL
+A3 : PRO
+A4 : GLU
+A5 : THR
+A6 : ARG
+A7 : PRO
+A8 : ASN
+A9 : HIS
+A10 : THR
+A11 : ILE
+A12 : TYR
+A13 : ILE
+A14 : ASN
+A15 : ASN
+A16 : LEU
+A17 : ASN
+A18 : GLU
+A19 : LYS
+A20 : ILE
+A21 : LYS
+A22 : LYS
+A23 : ASP
+A24 : GLU
+A25 : LEU
+A26 : LYS
+A27 : LYS
+A28 : SER
+A29 : LEU
+A30 : HIS
+A31 : ALA
+A32 : ILE
+A33 : PHE
+A34 : SER
+A35 : ARG
+A36 : PHE
+A37 : GLY
+A38 : GLN
+A39 : ILE
+A40 : LEU
+A41 : ASP
+A42 : ILE
+A43 : LEU
+A44 : VAL
+A45 : SER
+A46 : ARG
+A47 : SER
+A48 : LEU
+A49 : LYS
+A50 : MET
+A51 : ARG
+A52 : GLY
+A53 : GLN
+A54 : ALA
+A55 : PHE
+A56 : VAL
+A57 : ILE
+A58 : PHE
+A59 : LYS
+A60 : GLU
+A61 : VAL
+A62 : SER
+A63 : SER
+A64 : ALA
+A65 : THR
+A66 : ASN
+A67 : ALA
+A68 : LEU
+A69 : ARG
+A70 : SER
+A71 : MET
+A72 : GLN
+A73 : GLY
+A74 : PHE
+A75 : PRO
+A76 : PHE
+A77 : TYR
+A78 : ASP
+A79 : LYS
+A80 : PRO
+A81 : MET
+A82 : ARG
+A83 : ILE
+A84 : GLN
+A85 : TYR
+A86 : ALA
+A87 : LYS
+A88 : THR
+A89 : ASP
+A90 : SER
+A91 : ASP
+A92 : ILE
+A93 : ILE
+A94 : ALA
+A95 : LYS
+A96 : MET
+A97 : LYS
+A98 : GLY
+A99 : THR
+A100 : PHE
+A101 : VAL
+Adjacent stackings ----------------------------------------------
+B20-B21 : adjacent_5p upward 
+B22-B23 : adjacent_5p upward 
+B23-B24 : adjacent_5p upward 
+B26-B27 : adjacent_5p upward 
+B28-B29 : adjacent_5p upward 
+B34-B35 : adjacent_5p outward 
+B35-B36 : adjacent_5p upward 
+B37-B38 : adjacent_5p upward 
+B39-B40 : adjacent_5p upward 
+B44-B45 : adjacent_5p upward 
+B49-B50 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 11
+Number of adjacent stackings = 11
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+B21-B48 : C-G Ww/Ww pairing antiparallel cis XIX 
+B22-B47 : A-U Ww/Ww pairing antiparallel cis XX 
+B24-B46 : A-C Ss/Wh pairing antiparallel cis one_hbond 74 
+B26-B37 : U-A Ww/Ww pairing antiparallel cis XX 
+B28-B35 : C-G Ww/Ww pairing antiparallel cis 
+B40-B42 : U-G Bs/Ws pairing antiparallel cis one_hbond 
+Residue conformations -------------------------------------------
+B19 : G C4p_exo anti
+B20 : G C3p_endo anti
+B21 : C C3p_endo anti
+B22 : A C3p_endo anti
+B23 : G C3p_endo anti
+B24 : A C3p_endo anti
+B25 : G C4p_exo anti
+B26 : U C3p_endo anti
+B27 : C C4p_exo anti
+B28 : C C3p_endo anti
+B29 : U C3p_endo anti
+B30 : U C3p_exo anti
+B33 : C C3p_exo anti
+B34 : G C3p_endo syn
+B35 : G C3p_endo anti
+B36 : G C4p_exo anti
+B37 : A C3p_endo anti
+B38 : C C3p_endo anti
+B39 : A C3p_endo anti
+B40 : U C3p_endo anti
+B41 : U C3p_exo anti
+B42 : G C3p_endo anti
+B43 : C C2p_endo anti
+B44 : A C2p_exo anti
+B45 : C C3p_endo anti
+B46 : C C3p_endo anti
+B47 : U C3p_endo anti
+B48 : G C3p_endo anti
+B49 : C C3p_endo anti
+B50 : C C3p_endo anti
+A1 : ALA
+A2 : VAL
+A3 : PRO
+A4 : GLU
+A5 : THR
+A6 : ARG
+A7 : PRO
+A8 : ASN
+A9 : HIS
+A10 : THR
+A11 : ILE
+A12 : TYR
+A13 : ILE
+A14 : ASN
+A15 : ASN
+A16 : LEU
+A17 : ASN
+A18 : GLU
+A19 : LYS
+A20 : ILE
+A21 : LYS
+A22 : LYS
+A23 : ASP
+A24 : GLU
+A25 : LEU
+A26 : LYS
+A27 : LYS
+A28 : SER
+A29 : LEU
+A30 : HIS
+A31 : ALA
+A32 : ILE
+A33 : PHE
+A34 : SER
+A35 : ARG
+A36 : PHE
+A37 : GLY
+A38 : GLN
+A39 : ILE
+A40 : LEU
+A41 : ASP
+A42 : ILE
+A43 : LEU
+A44 : VAL
+A45 : SER
+A46 : ARG
+A47 : SER
+A48 : LEU
+A49 : LYS
+A50 : MET
+A51 : ARG
+A52 : GLY
+A53 : GLN
+A54 : ALA
+A55 : PHE
+A56 : VAL
+A57 : ILE
+A58 : PHE
+A59 : LYS
+A60 : GLU
+A61 : VAL
+A62 : SER
+A63 : SER
+A64 : ALA
+A65 : THR
+A66 : ASN
+A67 : ALA
+A68 : LEU
+A69 : ARG
+A70 : SER
+A71 : MET
+A72 : GLN
+A73 : GLY
+A74 : PHE
+A75 : PRO
+A76 : PHE
+A77 : TYR
+A78 : ASP
+A79 : LYS
+A80 : PRO
+A81 : MET
+A82 : ARG
+A83 : ILE
+A84 : GLN
+A85 : TYR
+A86 : ALA
+A87 : LYS
+A88 : THR
+A89 : ASP
+A90 : SER
+A91 : ASP
+A92 : ILE
+A93 : ILE
+A94 : ALA
+A95 : LYS
+A96 : MET
+A97 : LYS
+A98 : GLY
+A99 : THR
+A100 : PHE
+A101 : VAL
+Adjacent stackings ----------------------------------------------
+B20-B21 : adjacent_5p upward 
+B22-B23 : adjacent_5p upward 
+B23-B24 : adjacent_5p upward 
+B26-B27 : adjacent_5p upward 
+B28-B29 : adjacent_5p upward 
+B34-B35 : adjacent_5p outward 
+B35-B36 : adjacent_5p upward 
+B39-B40 : adjacent_5p upward 
+B44-B45 : adjacent_5p upward 
+B47-B48 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 10
+Number of adjacent stackings = 10
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+B21-B48 : C-G Ww/Ww pairing antiparallel cis XIX 
+B22-B47 : A-U Ww/Ww pairing antiparallel cis XX 
+B23-B46 : G-C Ww/Ww pairing antiparallel cis XIX 
+B25-B38 : G-C Ww/Ww pairing antiparallel cis one_hbond 
+B26-B37 : U-A Ww/Ww pairing antiparallel cis XX 
+B28-B35 : C-G Ww/Ww pairing antiparallel cis XIX 
+B30-B34 : U-G O2'/Hh pairing 
+Residue conformations -------------------------------------------
+B19 : G C4p_exo anti
+B20 : G C3p_endo anti
+B21 : C C4p_exo anti
+B22 : A C3p_endo anti
+B23 : G C3p_endo anti
+B24 : A C2p_exo anti
+B25 : G C4p_exo anti
+B26 : U C3p_endo anti
+B27 : C C4p_exo anti
+B28 : C C3p_endo anti
+B29 : U C3p_endo anti
+B30 : U C3p_exo anti
+B33 : C C3p_exo anti
+B34 : G C4p_exo syn
+B35 : G C3p_endo anti
+B36 : G C4p_exo anti
+B37 : A C4p_exo anti
+B38 : C C3p_endo anti
+B39 : A C2p_exo anti
+B40 : U C3p_endo anti
+B41 : U C3p_exo anti
+B42 : G C3p_endo anti
+B43 : C C2p_endo anti
+B44 : A C3p_endo anti
+B45 : C C3p_endo anti
+B46 : C C3p_endo anti
+B47 : U C3p_endo anti
+B48 : G C3p_endo anti
+B49 : C C3p_endo anti
+B50 : C C3p_endo anti
+A1 : ALA
+A2 : VAL
+A3 : PRO
+A4 : GLU
+A5 : THR
+A6 : ARG
+A7 : PRO
+A8 : ASN
+A9 : HIS
+A10 : THR
+A11 : ILE
+A12 : TYR
+A13 : ILE
+A14 : ASN
+A15 : ASN
+A16 : LEU
+A17 : ASN
+A18 : GLU
+A19 : LYS
+A20 : ILE
+A21 : LYS
+A22 : LYS
+A23 : ASP
+A24 : GLU
+A25 : LEU
+A26 : LYS
+A27 : LYS
+A28 : SER
+A29 : LEU
+A30 : HIS
+A31 : ALA
+A32 : ILE
+A33 : PHE
+A34 : SER
+A35 : ARG
+A36 : PHE
+A37 : GLY
+A38 : GLN
+A39 : ILE
+A40 : LEU
+A41 : ASP
+A42 : ILE
+A43 : LEU
+A44 : VAL
+A45 : SER
+A46 : ARG
+A47 : SER
+A48 : LEU
+A49 : LYS
+A50 : MET
+A51 : ARG
+A52 : GLY
+A53 : GLN
+A54 : ALA
+A55 : PHE
+A56 : VAL
+A57 : ILE
+A58 : PHE
+A59 : LYS
+A60 : GLU
+A61 : VAL
+A62 : SER
+A63 : SER
+A64 : ALA
+A65 : THR
+A66 : ASN
+A67 : ALA
+A68 : LEU
+A69 : ARG
+A70 : SER
+A71 : MET
+A72 : GLN
+A73 : GLY
+A74 : PHE
+A75 : PRO
+A76 : PHE
+A77 : TYR
+A78 : ASP
+A79 : LYS
+A80 : PRO
+A81 : MET
+A82 : ARG
+A83 : ILE
+A84 : GLN
+A85 : TYR
+A86 : ALA
+A87 : LYS
+A88 : THR
+A89 : ASP
+A90 : SER
+A91 : ASP
+A92 : ILE
+A93 : ILE
+A94 : ALA
+A95 : LYS
+A96 : MET
+A97 : LYS
+A98 : GLY
+A99 : THR
+A100 : PHE
+A101 : VAL
+Adjacent stackings ----------------------------------------------
+B20-B21 : adjacent_5p upward 
+B22-B23 : adjacent_5p upward 
+B23-B24 : adjacent_5p upward 
+B26-B27 : adjacent_5p upward 
+B35-B36 : adjacent_5p upward 
+B36-B37 : adjacent_5p upward 
+B39-B40 : adjacent_5p upward 
+B44-B45 : adjacent_5p upward 
+B47-B48 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 9
+Number of adjacent stackings = 9
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+B21-B48 : C-G Ww/Ww pairing antiparallel cis XIX 
+B22-B47 : A-U Ww/Ww pairing antiparallel cis XX 
+B23-B46 : G-C Ww/Ww pairing antiparallel cis 
+B25-B38 : G-C Wh/Wh pairing antiparallel cis one_hbond 
+B26-B37 : U-A Ww/Ww pairing antiparallel cis XX 
+B28-B35 : C-G Ww/Ww pairing antiparallel cis 
+B30-B34 : U-G O2'/Hh pairing 
+B40-B42 : U-G O2'/Bs pairing 
diff --git a/MCdata/1av6_MC b/MCdata/1av6_MC
new file mode 100644
index 0000000000000000000000000000000000000000..a062132be5471b5bbcf279964cda49386ccefa7c
--- /dev/null
+++ b/MCdata/1av6_MC
@@ -0,0 +1,308 @@
+Residue conformations -------------------------------------------
+B402 : G C2p_exo anti
+B403 : A C3p_endo anti
+B404 : A C3p_endo anti
+B405 : A C3p_endo anti
+B406 : A C2p_exo anti
+B407 : A C3p_endo anti
+A3 : VAL
+A4 : VAL
+A5 : SER
+A6 : LEU
+A7 : ASP
+A8 : LYS
+A9 : PRO
+A10 : PHE
+A11 : MET
+A12 : TYR
+A13 : PHE
+A14 : GLU
+A15 : GLU
+A16 : ILE
+A17 : ASP
+A18 : ASN
+A19 : GLU
+A20 : LEU
+A21 : ASP
+A22 : TYR
+A23 : GLU
+A24 : PRO
+A25 : GLU
+A26 : SER
+A27 : ALA
+A28 : ASN
+A29 : GLU
+A30 : VAL
+A31 : ALA
+A32 : LYS
+A33 : LYS
+A34 : LEU
+A35 : PRO
+A36 : TYR
+A37 : GLN
+A38 : GLY
+A39 : GLN
+A40 : LEU
+A41 : LYS
+A42 : LEU
+A43 : LEU
+A44 : LEU
+A45 : GLY
+A46 : GLU
+A47 : LEU
+A48 : PHE
+A49 : PHE
+A50 : LEU
+A51 : SER
+A52 : LYS
+A53 : LEU
+A54 : GLN
+A55 : ARG
+A56 : HIS
+A57 : GLY
+A58 : ILE
+A59 : LEU
+A60 : ASP
+A61 : GLY
+A62 : ALA
+A63 : THR
+A64 : VAL
+A65 : VAL
+A66 : TYR
+A67 : ILE
+A68 : GLY
+A69 : SER
+A70 : ALA
+A71 : PRO
+A72 : GLY
+A73 : THR
+A74 : HIS
+A75 : ILE
+A76 : ARG
+A77 : TYR
+A78 : LEU
+A79 : ARG
+A80 : ASP
+A81 : HIS
+A82 : PHE
+A83 : TYR
+A84 : ASN
+A85 : LEU
+A86 : GLY
+A87 : VAL
+A88 : ILE
+A89 : ILE
+A90 : LYS
+A91 : TRP
+A92 : MET
+A93 : LEU
+A94 : ILE
+A95 : ASP
+A96 : GLY
+A97 : ARG
+A98 : HIS
+A99 : HIS
+A100 : ASP
+A101 : PRO
+A102 : ILE
+A103 : LEU
+A104 : ASN
+A105 : GLY
+A106 : LEU
+A107 : ARG
+A108 : ASP
+A109 : VAL
+A110 : THR
+A111 : LEU
+A112 : VAL
+A113 : THR
+A114 : ARG
+A115 : PHE
+A116 : VAL
+A117 : ASP
+A118 : GLU
+A119 : GLU
+A120 : TYR
+A121 : LEU
+A122 : ARG
+A123 : SER
+A124 : ILE
+A125 : LYS
+A126 : LYS
+A127 : GLN
+A128 : LEU
+A129 : HIS
+A130 : PRO
+A131 : SER
+A132 : LYS
+A133 : ILE
+A134 : ILE
+A135 : LEU
+A136 : ILE
+A137 : SER
+A138 : ASP
+A139 : VAL
+A140 : ARG
+A141 : SER
+A148 : PRO
+A149 : SER
+A150 : THR
+A151 : ALA
+A152 : ASP
+A153 : LEU
+A154 : LEU
+A155 : SER
+A156 : ASN
+A157 : TYR
+A158 : ALA
+A159 : LEU
+A160 : GLN
+A161 : ASN
+A162 : VAL
+A163 : MET
+A164 : ILE
+A165 : SER
+A166 : ILE
+A167 : LEU
+A168 : ASN
+A169 : PRO
+A170 : VAL
+A171 : ALA
+A172 : SER
+A173 : SER
+A174 : LEU
+A175 : LYS
+A176 : TRP
+A177 : ARG
+A178 : CYS
+A179 : PRO
+A180 : PHE
+A181 : PRO
+A182 : ASP
+A183 : GLN
+A184 : TRP
+A185 : ILE
+A186 : LYS
+A187 : ASP
+A188 : PHE
+A189 : TYR
+A190 : ILE
+A191 : PRO
+A192 : HIS
+A193 : GLY
+A194 : ASN
+A195 : LYS
+A196 : MET
+A197 : LEU
+A198 : GLN
+A199 : PRO
+A200 : PHE
+A201 : ALA
+A202 : PRO
+A203 : SER
+A204 : TYR
+A205 : SER
+A206 : ALA
+A207 : GLU
+A208 : MET
+A209 : ARG
+A210 : LEU
+A211 : LEU
+A212 : SER
+A213 : ILE
+A214 : TYR
+A215 : THR
+A216 : GLY
+A217 : GLU
+A218 : ASN
+A219 : MET
+A220 : ARG
+A221 : LEU
+A222 : THR
+A223 : ARG
+A224 : VAL
+A225 : THR
+A226 : LYS
+A227 : SER
+A228 : ASP
+A229 : ALA
+A230 : VAL
+A231 : ASN
+A232 : TYR
+A233 : GLU
+A234 : LYS
+A235 : LYS
+A236 : MET
+A237 : TYR
+A238 : TYR
+A239 : LEU
+A240 : ASN
+A241 : LYS
+A242 : ILE
+A243 : VAL
+A244 : ARG
+A245 : ASN
+A246 : LYS
+A247 : VAL
+A248 : VAL
+A249 : VAL
+A250 : ASN
+A251 : PHE
+A252 : ASP
+A253 : TYR
+A254 : PRO
+A255 : ASN
+A256 : GLN
+A257 : GLU
+A258 : TYR
+A259 : ASP
+A260 : TYR
+A261 : PHE
+A262 : HIS
+A263 : MET
+A264 : TYR
+A265 : PHE
+A266 : MET
+A267 : LEU
+A268 : ARG
+A269 : THR
+A270 : VAL
+A271 : TYR
+A272 : CYS
+A273 : ASN
+A274 : LYS
+A275 : THR
+A276 : PHE
+A277 : PRO
+A278 : THR
+A279 : THR
+A280 : LYS
+A281 : ALA
+A282 : LYS
+A283 : VAL
+A284 : LEU
+A285 : PHE
+A286 : LEU
+A287 : GLN
+A288 : GLN
+A289 : SER
+A290 : ILE
+A291 : PHE
+A292 : ARG
+A293 : PHE
+A294 : LEU
+A295 : ASN
+A296 : ILE
+A297 : PRO
+B408 : MGT
+A400 : SAH
+Adjacent stackings ----------------------------------------------
+B402-B403 : adjacent_5p upward 
+B403-B404 : adjacent_5p upward 
+B405-B406 : adjacent_5p upward 
+B406-B407 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 4
+Number of adjacent stackings = 4
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
diff --git a/MCdata/1b23_MC b/MCdata/1b23_MC
new file mode 100644
index 0000000000000000000000000000000000000000..ed70601738d56f9fb0477fa174139f993dfdfad7
--- /dev/null
+++ b/MCdata/1b23_MC
@@ -0,0 +1,836 @@
+Residue conformations -------------------------------------------
+R1 : G C3p_endo anti
+R2 : G C3p_endo anti
+R3 : C C3p_endo anti
+R4 : G C3p_endo anti
+R5 : C C3p_endo anti
+R6 : G C3p_endo anti
+R7 : U C4p_exo anti
+R8 : 4SU
+R9 : A C2p_endo syn
+R10 : A C3p_endo anti
+R11 : C C3p_endo anti
+R12 : A C3p_endo anti
+R13 : A C3p_endo anti
+R14 : A C3p_endo anti
+R15 : G C3p_endo anti
+R16 : C C3p_endo anti
+R18 : G C2p_endo anti
+R19 : G C2p_endo anti
+R20 : H2U
+R21 : H2U
+R22 : A C2p_exo anti
+R23 : U C3p_endo anti
+R24 : G C3p_endo anti
+R25 : U C3p_endo anti
+R26 : A C3p_endo anti
+R27 : G C3p_endo anti
+R28 : C C3p_endo anti
+R29 : G C3p_endo anti
+R30 : G C3p_endo anti
+R31 : A C3p_endo anti
+R32 : PSU
+R33 : U C3p_endo anti
+R34 : G C3p_endo anti
+R35 : C C3p_endo anti
+R36 : A C3p_endo anti
+R37 : MIA
+R38 : A C3p_endo anti
+R39 : PSU
+R40 : C C3p_endo anti
+R41 : C C3p_endo anti
+R42 : G C3p_endo anti
+R43 : U C3p_endo anti
+R44 : C C2p_endo anti
+R45 : U C2p_endo anti
+R46 : A C2p_exo anti
+R48 : G C2p_endo anti
+R49 : U C3p_endo anti
+R50 : C C3p_endo anti
+R51 : C C3p_endo anti
+R52 : G C3p_endo anti
+R53 : G C3p_endo anti
+R54 : 5MU
+R55 : PSU
+R56 : C C3p_endo anti
+R57 : G C3p_endo anti
+R58 : A C2p_endo syn
+R59 : C C3p_endo anti
+R60 : U C2p_endo anti
+R61 : C C3p_endo anti
+R62 : C C3p_endo anti
+R63 : G C2p_exo anti
+R64 : G C3p_endo anti
+R65 : A C3p_endo anti
+R66 : A C3p_endo anti
+R67 : C C3p_endo anti
+R68 : G C3p_endo anti
+R69 : C C3p_endo anti
+R70 : G C3p_endo anti
+R71 : C C3p_endo anti
+R72 : C C3p_endo anti
+R73 : U C3p_endo anti
+R74 : C C3p_endo anti
+R75 : C C3p_exo anti
+R76 : A C2p_endo anti
+P1 : ALA
+P2 : LYS
+P3 : GLY
+P4 : GLU
+P5 : PHE
+P6 : ILE
+P7 : ARG
+P8 : THR
+P9 : LYS
+P10 : PRO
+P11 : HIS
+P12 : VAL
+P13 : ASN
+P14 : VAL
+P15 : GLY
+P16 : THR
+P17 : ILE
+P18 : GLY
+P19 : HIS
+P20 : VAL
+P21 : ASP
+P22 : HIS
+P23 : GLY
+P24 : LYS
+P25 : THR
+P26 : THR
+P27 : LEU
+P28 : THR
+P29 : ALA
+P30 : ALA
+P31 : LEU
+P32 : THR
+P33 : TYR
+P34 : VAL
+P35 : ALA
+P36 : ALA
+P37 : ALA
+P38 : GLU
+P39 : ASN
+P40 : PRO
+P41 : ASN
+P42 : VAL
+P43 : GLU
+P44 : VAL
+P45 : LYS
+P46 : ASP
+P47 : TYR
+P48 : GLY
+P49 : ASP
+P50 : ILE
+P51 : ASP
+P52 : LYS
+P53 : ALA
+P54 : PRO
+P55 : GLU
+P56 : GLU
+P57 : ARG
+P58 : ALA
+P59 : ARG
+P60 : GLY
+P61 : ILE
+P62 : THR
+P63 : ILE
+P64 : ASN
+P65 : THR
+P66 : ALA
+P67 : HIS
+P68 : VAL
+P69 : GLU
+P70 : TYR
+P71 : GLU
+P72 : THR
+P73 : ALA
+P74 : LYS
+P75 : ARG
+P76 : HIS
+P77 : TYR
+P78 : SER
+P79 : HIS
+P80 : VAL
+P81 : ASP
+P82 : CYS
+P83 : PRO
+P84 : GLY
+P85 : HIS
+P86 : ALA
+P87 : ASP
+P88 : TYR
+P89 : ILE
+P90 : LYS
+P91 : ASN
+P92 : MET
+P93 : ILE
+P94 : THR
+P95 : GLY
+P96 : ALA
+P97 : ALA
+P98 : GLN
+P99 : MET
+P100 : ASP
+P101 : GLY
+P102 : ALA
+P103 : ILE
+P104 : LEU
+P105 : VAL
+P106 : VAL
+P107 : SER
+P108 : ALA
+P109 : ALA
+P110 : ASP
+P111 : GLY
+P112 : PRO
+P113 : MET
+P114 : PRO
+P115 : GLN
+P116 : THR
+P117 : ARG
+P118 : GLU
+P119 : HIS
+P120 : ILE
+P121 : LEU
+P122 : LEU
+P123 : ALA
+P124 : ARG
+P125 : GLN
+P126 : VAL
+P127 : GLY
+P128 : VAL
+P129 : PRO
+P130 : TYR
+P131 : ILE
+P132 : VAL
+P133 : VAL
+P134 : PHE
+P135 : MET
+P136 : ASN
+P137 : LYS
+P138 : VAL
+P139 : ASP
+P140 : MET
+P141 : VAL
+P142 : ASP
+P143 : ASP
+P144 : PRO
+P145 : GLU
+P146 : LEU
+P147 : LEU
+P148 : ASP
+P149 : LEU
+P150 : VAL
+P151 : GLU
+P152 : MET
+P153 : GLU
+P154 : VAL
+P155 : ARG
+P156 : ASP
+P157 : LEU
+P158 : LEU
+P159 : ASN
+P160 : GLN
+P161 : TYR
+P162 : GLU
+P163 : PHE
+P164 : PRO
+P165 : GLY
+P166 : ASP
+P167 : GLU
+P168 : VAL
+P169 : PRO
+P170 : VAL
+P171 : ILE
+P172 : ARG
+P173 : GLY
+P174 : SER
+P175 : ALA
+P176 : LEU
+P177 : LEU
+P178 : ALA
+P179 : LEU
+P180 : GLU
+P181 : GLU
+P182 : MET
+P183 : HIS
+P184 : LYS
+P185 : ASN
+P186 : PRO
+P187 : LYS
+P188 : THR
+P189 : LYS
+P190 : ARG
+P191 : GLY
+P192 : GLU
+P193 : ASN
+P194 : GLU
+P195 : TRP
+P196 : VAL
+P197 : ASP
+P198 : LYS
+P199 : ILE
+P200 : TRP
+P201 : GLU
+P202 : LEU
+P203 : LEU
+P204 : ASP
+P205 : ALA
+P206 : ILE
+P207 : ASP
+P208 : GLU
+P209 : TYR
+P210 : ILE
+P211 : PRO
+P212 : THR
+P213 : PRO
+P214 : VAL
+P215 : ARG
+P216 : ASP
+P217 : VAL
+P218 : ASP
+P219 : LYS
+P220 : PRO
+P221 : PHE
+P222 : LEU
+P223 : MET
+P224 : PRO
+P225 : VAL
+P226 : GLU
+P227 : ASP
+P228 : VAL
+P229 : PHE
+P230 : THR
+P231 : ILE
+P232 : THR
+P233 : GLY
+P234 : ARG
+P235 : GLY
+P236 : THR
+P237 : VAL
+P238 : ALA
+P239 : THR
+P240 : GLY
+P241 : ARG
+P242 : ILE
+P243 : GLU
+P244 : ARG
+P245 : GLY
+P246 : LYS
+P247 : VAL
+P248 : LYS
+P249 : VAL
+P250 : GLY
+P251 : ASP
+P252 : GLU
+P253 : VAL
+P254 : GLU
+P255 : ILE
+P256 : VAL
+P257 : GLY
+P258 : LEU
+P259 : ALA
+P260 : PRO
+P261 : GLU
+P262 : THR
+P263 : ARG
+P264 : LYS
+P265 : THR
+P266 : VAL
+P267 : VAL
+P268 : THR
+P269 : GLY
+P270 : VAL
+P271 : GLU
+P272 : MET
+P273 : HIS
+P274 : ARG
+P275 : LYS
+P276 : THR
+P277 : LEU
+P278 : GLN
+P279 : GLU
+P280 : GLY
+P281 : ILE
+P282 : ALA
+P283 : GLY
+P284 : ASP
+P285 : ASN
+P286 : VAL
+P287 : GLY
+P288 : LEU
+P289 : LEU
+P290 : LEU
+P291 : ARG
+P292 : GLY
+P293 : VAL
+P294 : SER
+P295 : ARG
+P296 : GLU
+P297 : GLU
+P298 : VAL
+P299 : GLU
+P300 : ARG
+P301 : GLY
+P302 : GLN
+P303 : VAL
+P304 : LEU
+P305 : ALA
+P306 : LYS
+P307 : PRO
+P308 : GLY
+P309 : SER
+P310 : ILE
+P311 : THR
+P312 : PRO
+P313 : HIS
+P314 : THR
+P315 : LYS
+P316 : PHE
+P317 : GLU
+P318 : ALA
+P319 : SER
+P320 : VAL
+P321 : TYR
+P322 : ILE
+P323 : LEU
+P324 : LYS
+P325 : LYS
+P326 : GLU
+P327 : GLU
+P328 : GLY
+P329 : GLY
+P330 : ARG
+P331 : HIS
+P332 : THR
+P333 : GLY
+P334 : PHE
+P335 : PHE
+P336 : THR
+P337 : GLY
+P338 : TYR
+P339 : ARG
+P340 : PRO
+P341 : GLN
+P342 : PHE
+P343 : TYR
+P344 : PHE
+P345 : ARG
+P346 : THR
+P347 : THR
+P348 : ASP
+P349 : VAL
+P350 : THR
+P351 : GLY
+P352 : VAL
+P353 : VAL
+P354 : ARG
+P355 : LEU
+P356 : PRO
+P357 : GLN
+P358 : GLY
+P359 : VAL
+P360 : GLU
+P361 : MET
+P362 : VAL
+P363 : MET
+P364 : PRO
+P365 : GLY
+P366 : ASP
+P367 : ASN
+P368 : VAL
+P369 : THR
+P370 : PHE
+P371 : THR
+P372 : VAL
+P373 : GLU
+P374 : LEU
+P375 : ILE
+P376 : LYS
+P377 : PRO
+P378 : VAL
+P379 : ALA
+P380 : LEU
+P381 : GLU
+P382 : GLU
+P383 : GLY
+P384 : LEU
+P385 : ARG
+P386 : PHE
+P387 : ALA
+P388 : ILE
+P389 : ARG
+P390 : GLU
+P391 : GLY
+P392 : GLY
+P393 : ARG
+P394 : THR
+P395 : VAL
+P396 : GLY
+P397 : ALA
+P398 : GLY
+P399 : VAL
+P400 : VAL
+P401 : THR
+P402 : LYS
+P403 : ILE
+P404 : LEU
+P405 : GLU
+R77 : MG
+R179 : MG
+R976 : CYS
+P407 : MG
+P408 : SO4
+P409 : SO4
+P406 : GNP
+R977 : HOH
+R978 : HOH
+R979 : HOH
+R980 : HOH
+R981 : HOH
+R982 : HOH
+R983 : HOH
+R984 : HOH
+R985 : HOH
+R986 : HOH
+R987 : HOH
+R988 : HOH
+R989 : HOH
+R990 : HOH
+R991 : HOH
+R992 : HOH
+R993 : HOH
+R994 : HOH
+R995 : HOH
+R996 : HOH
+R997 : HOH
+R998 : HOH
+R999 : HOH
+R1000 : HOH
+R1001 : HOH
+R1002 : HOH
+R1003 : HOH
+R1004 : HOH
+R1005 : HOH
+R1006 : HOH
+R1007 : HOH
+R1008 : HOH
+R1009 : HOH
+R1010 : HOH
+R1011 : HOH
+R1012 : HOH
+R1013 : HOH
+R1014 : HOH
+R1015 : HOH
+R1016 : HOH
+R1017 : HOH
+R1018 : HOH
+R1019 : HOH
+R1020 : HOH
+R1021 : HOH
+R1022 : HOH
+R1023 : HOH
+R1024 : HOH
+R1025 : HOH
+R1026 : HOH
+R1027 : HOH
+R1028 : HOH
+R1029 : HOH
+R1030 : HOH
+R1031 : HOH
+R1032 : HOH
+R1033 : HOH
+R1034 : HOH
+R1035 : HOH
+R1036 : HOH
+R1037 : HOH
+R1038 : HOH
+R1039 : HOH
+R1040 : HOH
+R1041 : HOH
+R1042 : HOH
+R1043 : HOH
+R1044 : HOH
+R1045 : HOH
+R1046 : HOH
+R1047 : HOH
+R1048 : HOH
+R1049 : HOH
+R1050 : HOH
+R1051 : HOH
+R1052 : HOH
+R1053 : HOH
+R1054 : HOH
+R1055 : HOH
+R1056 : HOH
+R1057 : HOH
+R1058 : HOH
+R1059 : HOH
+R1060 : HOH
+R1061 : HOH
+R1062 : HOH
+R1063 : HOH
+P410 : HOH
+P411 : HOH
+P412 : HOH
+P413 : HOH
+P414 : HOH
+P415 : HOH
+P416 : HOH
+P417 : HOH
+P418 : HOH
+P419 : HOH
+P420 : HOH
+P421 : HOH
+P422 : HOH
+P423 : HOH
+P424 : HOH
+P425 : HOH
+P426 : HOH
+P427 : HOH
+P428 : HOH
+P429 : HOH
+P430 : HOH
+P431 : HOH
+P432 : HOH
+P433 : HOH
+P434 : HOH
+P435 : HOH
+P436 : HOH
+P437 : HOH
+P438 : HOH
+P439 : HOH
+P440 : HOH
+P441 : HOH
+P442 : HOH
+P443 : HOH
+P444 : HOH
+P445 : HOH
+P446 : HOH
+P447 : HOH
+P448 : HOH
+P449 : HOH
+P450 : HOH
+P451 : HOH
+P452 : HOH
+P453 : HOH
+P454 : HOH
+P455 : HOH
+P456 : HOH
+P457 : HOH
+P458 : HOH
+P459 : HOH
+P460 : HOH
+P461 : HOH
+P462 : HOH
+P463 : HOH
+P464 : HOH
+P465 : HOH
+P466 : HOH
+P467 : HOH
+P468 : HOH
+P469 : HOH
+P470 : HOH
+P471 : HOH
+P472 : HOH
+P473 : HOH
+P474 : HOH
+P475 : HOH
+P476 : HOH
+P477 : HOH
+P478 : HOH
+P479 : HOH
+P480 : HOH
+P481 : HOH
+P482 : HOH
+P483 : HOH
+P484 : HOH
+P485 : HOH
+P486 : HOH
+P487 : HOH
+P488 : HOH
+P489 : HOH
+P490 : HOH
+P491 : HOH
+P492 : HOH
+P493 : HOH
+P494 : HOH
+P495 : HOH
+P496 : HOH
+P497 : HOH
+P498 : HOH
+P499 : HOH
+P500 : HOH
+P501 : HOH
+P502 : HOH
+P503 : HOH
+P504 : HOH
+P505 : HOH
+P506 : HOH
+P507 : HOH
+P508 : HOH
+P509 : HOH
+P510 : HOH
+P511 : HOH
+P512 : HOH
+P513 : HOH
+P514 : HOH
+P515 : HOH
+P516 : HOH
+P517 : HOH
+P518 : HOH
+P519 : HOH
+P520 : HOH
+P521 : HOH
+P522 : HOH
+P523 : HOH
+P524 : HOH
+P525 : HOH
+P526 : HOH
+P527 : HOH
+P528 : HOH
+P529 : HOH
+P530 : HOH
+P531 : HOH
+P532 : HOH
+P533 : HOH
+P534 : HOH
+P535 : HOH
+P536 : HOH
+P537 : HOH
+P538 : HOH
+P539 : HOH
+P540 : HOH
+P541 : HOH
+P542 : HOH
+P543 : HOH
+P544 : HOH
+P545 : HOH
+P546 : HOH
+P547 : HOH
+P548 : HOH
+P549 : HOH
+P550 : HOH
+P551 : HOH
+P552 : HOH
+P553 : HOH
+P554 : HOH
+P555 : HOH
+P556 : HOH
+P557 : HOH
+P558 : HOH
+P559 : HOH
+P560 : HOH
+P561 : HOH
+P562 : HOH
+P563 : HOH
+P564 : HOH
+P565 : HOH
+P566 : HOH
+P567 : HOH
+P568 : HOH
+P569 : HOH
+P570 : HOH
+P571 : HOH
+P572 : HOH
+P573 : HOH
+P574 : HOH
+P575 : HOH
+P576 : HOH
+P577 : HOH
+P578 : HOH
+P579 : HOH
+P580 : HOH
+P581 : HOH
+P582 : HOH
+P583 : HOH
+Adjacent stackings ----------------------------------------------
+R1-R2 : adjacent_5p upward 
+R2-R3 : adjacent_5p upward 
+R4-R5 : adjacent_5p upward 
+R10-R11 : adjacent_5p upward 
+R12-R13 : adjacent_5p upward 
+R14-R15 : adjacent_5p upward 
+R15-R16 : adjacent_5p upward 
+R22-R23 : adjacent_5p upward 
+R24-R25 : adjacent_5p upward 
+R25-R26 : adjacent_5p upward 
+R26-R27 : adjacent_5p upward 
+R27-R28 : adjacent_5p upward 
+R28-R29 : adjacent_5p upward 
+R29-R30 : adjacent_5p upward 
+R30-R31 : adjacent_5p upward 
+R34-R35 : adjacent_5p upward 
+R41-R42 : adjacent_5p upward 
+R42-R43 : adjacent_5p upward 
+R43-R44 : adjacent_5p upward 
+R46-R48 : adjacent_5p upward 
+R49-R50 : adjacent_5p upward 
+R50-R51 : adjacent_5p upward 
+R52-R53 : adjacent_5p upward 
+R56-R57 : adjacent_5p upward 
+R59-R60 : adjacent_5p upward 
+R63-R64 : adjacent_5p upward 
+R64-R65 : adjacent_5p upward 
+R65-R66 : adjacent_5p upward 
+R66-R67 : adjacent_5p upward 
+R67-R68 : adjacent_5p upward 
+R68-R69 : adjacent_5p upward 
+R69-R70 : adjacent_5p upward 
+R70-R71 : adjacent_5p upward 
+R73-R74 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+R4-R70 : outward 
+R6-R68 : outward 
+R7-R49 : upward 
+R9-R46 : outward 
+R10-R26 : outward 
+R12-R24 : outward 
+R14-R22 : outward 
+R18-R57 : inward pairing 
+R18-R58 : outward 
+R19-R57 : outward 
+R29-R42 : outward 
+R48-R59 : upward 
+R51-R64 : outward 
+R52-R63 : outward 
+R53-R62 : outward 
+R58-R61 : upward pairing 
+Number of stackings = 50
+Number of adjacent stackings = 34
+Number of non adjacent stackings = 16
+Base-pairs ------------------------------------------------------
+R1-R72 : G-C Ww/Ww pairing antiparallel cis XIX 
+R2-R71 : G-C Ww/Ww pairing antiparallel cis one_hbond 
+R3-R70 : C-G Ww/Ww pairing antiparallel cis XIX 
+R4-R69 : G-C Ww/Ww pairing antiparallel cis XIX 
+R5-R68 : C-G Ww/Ww pairing antiparallel cis XIX 
+R6-R67 : G-C Ww/Ww pairing antiparallel cis XIX 
+R7-R66 : U-A Ww/Ww pairing antiparallel cis XX 
+R9-R11 : A-C O2'/Bh pairing 
+R9-R13 : A-A Hh/Ww pairing antiparallel trans V 
+R11-R24 : C-G Ww/Ww pairing antiparallel cis XIX 
+R12-R23 : A-U Ww/Ws pairing antiparallel cis XX 
+R13-R22 : A-A Ss/Hw pairing antiparallel trans one_hbond 41 
+R14-R46 : A-A Wh/Ww pairing parallel cis one_hbond 
+R15-R48 : G-G Bh/Ww pairing parallel trans 113 
+R16-R59 : C-C Ww/Ww pairing parallel trans XV 
+R18-R57 : G-G O2'/Ww O2'/Bs inward pairing 
+R19-R56 : G-C Ww/Ww pairing antiparallel cis XIX 
+R22-R46 : A-A O2P/Bh pairing 
+R27-R43 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+R28-R42 : C-G Ww/Ww pairing antiparallel cis XIX 
+R29-R41 : G-C Ww/Ww pairing antiparallel cis XIX 
+R30-R40 : G-C Ws/Ww pairing antiparallel cis one_hbond 
+R33-R35 : U-C O2'/Bh pairing 
+R33-R36 : U-A Ws/C8 Ww/O2P pairing antiparallel trans one_hbond 
+R49-R65 : U-A Ww/Ww pairing antiparallel cis XX 
+R50-R64 : C-G Ww/Ww pairing antiparallel cis XIX 
+R51-R63 : C-G Ww/Ww pairing antiparallel cis XIX 
+R52-R62 : G-C Ww/Ww pairing antiparallel cis XIX 
+R53-R61 : G-C Ww/Ww pairing antiparallel cis XIX 
+R58-R61 : A-C O2'/Bh upward pairing 
+R60-R61 : U-C O2P/Bh O2P/Bh adjacent_5p pairing 
+R72-R73 : C-U Hw/Hw adjacent_5p pairing parallel cis one_hbond 101 
diff --git a/MCdata/1b2m_MC b/MCdata/1b2m_MC
new file mode 100644
index 0000000000000000000000000000000000000000..599a8441c26a43c4d285fdb305cf51cac23d584f
--- /dev/null
+++ b/MCdata/1b2m_MC
@@ -0,0 +1,313 @@
+Residue conformations -------------------------------------------
+C105 : G C2p_endo syn
+C106 : U34
+D105 : G C2p_endo syn
+D106 : U34
+E105 : G C1p_exo syn
+E106 : U34
+A1 : ALA
+A2 : CYS
+A3 : ASP
+A4 : TYR
+A5 : THR
+A6 : CYS
+A7 : GLY
+A8 : SER
+A9 : ASN
+A10 : CYS
+A11 : TYR
+A12 : SER
+A13 : SER
+A14 : SER
+A15 : ASP
+A16 : VAL
+A17 : SER
+A18 : THR
+A19 : ALA
+A20 : GLN
+A21 : ALA
+A22 : ALA
+A23 : GLY
+A24 : TYR
+A25 : GLN
+A26 : LEU
+A27 : HIS
+A28 : GLU
+A29 : ASP
+A30 : GLY
+A31 : GLU
+A32 : THR
+A33 : VAL
+A34 : GLY
+A35 : SER
+A36 : ASN
+A37 : SER
+A38 : TYR
+A39 : PRO
+A40 : HIS
+A41 : LYS
+A42 : TYR
+A43 : ASN
+A44 : ASN
+A45 : TYR
+A46 : GLU
+A47 : GLY
+A48 : PHE
+A49 : ASP
+A50 : PHE
+A51 : SER
+A52 : VAL
+A53 : SER
+A54 : SER
+A55 : PRO
+A56 : TYR
+A57 : TYR
+A58 : GLU
+A59 : TRP
+A60 : PRO
+A61 : ILE
+A62 : LEU
+A63 : SER
+A64 : SER
+A65 : GLY
+A66 : ASP
+A67 : VAL
+A68 : TYR
+A69 : SER
+A70 : GLY
+A71 : GLY
+A72 : SER
+A73 : PRO
+A74 : GLY
+A75 : ALA
+A76 : ASP
+A77 : ARG
+A78 : VAL
+A79 : VAL
+A80 : PHE
+A81 : ASN
+A82 : GLU
+A83 : ASN
+A84 : ASN
+A85 : GLN
+A86 : LEU
+A87 : ALA
+A88 : GLY
+A89 : VAL
+A90 : ILE
+A91 : THR
+A92 : HIS
+A93 : THR
+A94 : GLY
+A95 : ALA
+A96 : SER
+A97 : GLY
+A98 : ASN
+A99 : ASN
+A100 : PHE
+A101 : VAL
+A102 : GLU
+A103 : CYS
+A104 : THR
+B1 : ALA
+B2 : CYS
+B3 : ASP
+B4 : TYR
+B5 : THR
+B6 : CYS
+B7 : GLY
+B8 : SER
+B9 : ASN
+B10 : CYS
+B11 : TYR
+B12 : SER
+B13 : SER
+B14 : SER
+B15 : ASP
+B16 : VAL
+B17 : SER
+B18 : THR
+B19 : ALA
+B20 : GLN
+B21 : ALA
+B22 : ALA
+B23 : GLY
+B24 : TYR
+B25 : GLN
+B26 : LEU
+B27 : HIS
+B28 : GLU
+B29 : ASP
+B30 : GLY
+B31 : GLU
+B32 : THR
+B33 : VAL
+B34 : GLY
+B35 : SER
+B36 : ASN
+B37 : SER
+B38 : TYR
+B39 : PRO
+B40 : HIS
+B41 : LYS
+B42 : TYR
+B43 : ASN
+B44 : ASN
+B45 : TYR
+B46 : GLU
+B47 : GLY
+B48 : PHE
+B49 : ASP
+B50 : PHE
+B51 : SER
+B52 : VAL
+B53 : SER
+B54 : SER
+B55 : PRO
+B56 : TYR
+B57 : TYR
+B58 : GLU
+B59 : TRP
+B60 : PRO
+B61 : ILE
+B62 : LEU
+B63 : SER
+B64 : SER
+B65 : GLY
+B66 : ASP
+B67 : VAL
+B68 : TYR
+B69 : SER
+B70 : GLY
+B71 : GLY
+B72 : SER
+B73 : PRO
+B74 : GLY
+B75 : ALA
+B76 : ASP
+B77 : ARG
+B78 : VAL
+B79 : VAL
+B80 : PHE
+B81 : ASN
+B82 : GLU
+B83 : ASN
+B84 : ASN
+B85 : GLN
+B86 : LEU
+B87 : ALA
+B88 : GLY
+B89 : VAL
+B90 : ILE
+B91 : THR
+B92 : HIS
+B93 : THR
+B94 : GLY
+B95 : ALA
+B96 : SER
+B97 : GLY
+B98 : ASN
+B99 : ASN
+B100 : PHE
+B101 : VAL
+B102 : GLU
+B103 : CYS
+B104 : THR
+C137 : HOH
+D188 : HOH
+D195 : HOH
+A107 : HOH
+A108 : HOH
+A110 : HOH
+A111 : HOH
+A112 : HOH
+A113 : HOH
+A114 : HOH
+A115 : HOH
+A116 : HOH
+A117 : HOH
+A118 : HOH
+A119 : HOH
+A120 : HOH
+A127 : HOH
+A133 : HOH
+A134 : HOH
+A135 : HOH
+A139 : HOH
+A140 : HOH
+A141 : HOH
+A142 : HOH
+A144 : HOH
+A145 : HOH
+A146 : HOH
+A147 : HOH
+A148 : HOH
+A149 : HOH
+A155 : HOH
+A156 : HOH
+A157 : HOH
+A169 : HOH
+A170 : HOH
+A171 : HOH
+A177 : HOH
+A178 : HOH
+A179 : HOH
+A180 : HOH
+A181 : HOH
+A182 : HOH
+A183 : HOH
+A184 : HOH
+A185 : HOH
+A186 : HOH
+A187 : HOH
+A189 : HOH
+A190 : HOH
+A191 : HOH
+A194 : HOH
+B109 : HOH
+B121 : HOH
+B122 : HOH
+B123 : HOH
+B124 : HOH
+B125 : HOH
+B126 : HOH
+B128 : HOH
+B129 : HOH
+B130 : HOH
+B131 : HOH
+B132 : HOH
+B136 : HOH
+B138 : HOH
+B143 : HOH
+B150 : HOH
+B151 : HOH
+B152 : HOH
+B153 : HOH
+B154 : HOH
+B158 : HOH
+B159 : HOH
+B160 : HOH
+B161 : HOH
+B162 : HOH
+B163 : HOH
+B164 : HOH
+B165 : HOH
+B166 : HOH
+B167 : HOH
+B168 : HOH
+B172 : HOH
+B173 : HOH
+B174 : HOH
+B175 : HOH
+B176 : HOH
+B192 : HOH
+B193 : HOH
+B196 : HOH
+B197 : HOH
+B198 : HOH
+Adjacent stackings ----------------------------------------------
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 0
+Number of adjacent stackings = 0
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
diff --git a/MCdata/1b36_MC b/MCdata/1b36_MC
new file mode 100644
index 0000000000000000000000000000000000000000..38cb511853d45d24cbdeebf68894d8dc37e2c262
--- /dev/null
+++ b/MCdata/1b36_MC
@@ -0,0 +1,855 @@
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C2p_exo anti
+A3 : U C3p_endo anti
+A4 : G C3p_endo anti
+A5 : C C3p_endo anti
+A6 : A C4p_exo anti
+A7 : G C3p_endo anti
+A8 : A C3p_endo anti
+A9 : A C2p_exo anti
+A10 : A C2p_exo anti
+A11 : C C3p_endo anti
+A12 : A C4p_exo anti
+A13 : G C3p_endo anti
+A14 : C C3p_endo anti
+A15 : G C4p_exo anti
+A16 : C C3p_endo anti
+A17 : U C3p_endo anti
+A18 : U C2p_endo anti
+A19 : C C1p_exo anti
+A20 : G C4p_exo syn
+A21 : G C3p_endo anti
+A22 : C C3p_endo anti
+A23 : G C3p_endo anti
+A24 : C C4p_exo anti
+A25 : G C3p_endo anti
+A26 : U O4p_endo anti
+A27 : A C3p_endo anti
+A28 : U C3p_endo anti
+A29 : A C2p_endo anti
+A30 : U C2p_endo anti
+A31 : U C3p_endo anti
+A32 : A C4p_exo anti
+A33 : C C3p_endo anti
+A34 : G C4p_exo anti
+A35 : C C3p_endo anti
+A36 : A C2p_exo anti
+A37 : C C2p_exo anti
+A38 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A20-A21 : adjacent_5p outward 
+A21-A22 : adjacent_5p upward 
+A23-A24 : adjacent_5p upward 
+A24-A25 : adjacent_5p upward 
+A25-A26 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward pairing 
+A27-A28 : adjacent_5p upward 
+A32-A33 : adjacent_5p upward 
+A34-A35 : adjacent_5p upward 
+A36-A37 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-A36 : outward 
+A15-A23 : outward 
+A17-A19 : upward 
+Number of stackings = 25
+Number of adjacent stackings = 22
+Number of non adjacent stackings = 3
+Base-pairs ------------------------------------------------------
+A1-A38 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A37 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A36 : U-A Ww/Ww pairing antiparallel cis XX 
+A4-A35 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-A34 : C-G Ww/Ww pairing antiparallel cis XIX 
+A7-A8 : G-A O2'/C8 adjacent_5p pairing 
+A7-A32 : G-A Ss/Hw pairing antiparallel trans one_hbond 63 
+A9-A29 : A-A Hw/Hh pairing parallel trans one_hbond 
+A10-A27 : A-A Bh/Ss pairing antiparallel trans one_hbond 40 
+A11-A26 : C-U Wh/Ws pairing antiparallel cis one_hbond 100 
+A12-A25 : A-G Wh/Ss Ww/O2' pairing antiparallel trans one_hbond 63 
+A13-A24 : G-C Ww/Ww pairing antiparallel cis XIX 
+A14-A23 : C-G Ww/Ww pairing antiparallel cis XIX 
+A15-A22 : G-C Ww/Ww pairing antiparallel cis XIX 
+A16-A21 : C-G Ww/Ww pairing antiparallel cis XIX 
+A17-A20 : U-G Bs/Ww pairing parallel trans one_hbond 87 
+A26-A27 : U-A O2'/C8 adjacent_5p upward pairing 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C2p_exo anti
+A3 : U C3p_endo anti
+A4 : G C3p_endo anti
+A5 : C C4p_exo anti
+A6 : A C3p_endo anti
+A7 : G C2p_exo anti
+A8 : A C2p_exo anti
+A9 : A C4p_exo anti
+A10 : A C3p_endo anti
+A11 : C O4p_endo anti
+A12 : A O4p_endo anti
+A13 : G C3p_endo anti
+A14 : C C3p_endo anti
+A15 : G C4p_exo anti
+A16 : C C3p_endo anti
+A17 : U C3p_endo anti
+A18 : U C2p_endo anti
+A19 : C C1p_exo anti
+A20 : G O4p_endo syn
+A21 : G C3p_endo anti
+A22 : C C3p_endo anti
+A23 : G C3p_endo anti
+A24 : C C4p_exo anti
+A25 : G C3p_endo anti
+A26 : U O4p_endo anti
+A27 : A C3p_endo anti
+A28 : U C3p_endo anti
+A29 : A C1p_exo anti
+A30 : U C2p_endo anti
+A31 : U C3p_endo anti
+A32 : A O4p_endo anti
+A33 : C C3p_endo anti
+A34 : G C3p_endo anti
+A35 : C C3p_endo anti
+A36 : A C2p_exo anti
+A37 : C C2p_exo anti
+A38 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A21-A22 : adjacent_5p upward 
+A23-A24 : adjacent_5p upward 
+A24-A25 : adjacent_5p upward 
+A25-A26 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward pairing 
+A32-A33 : adjacent_5p upward 
+A34-A35 : adjacent_5p upward 
+A36-A37 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A8-A32 : outward 
+A17-A19 : upward 
+Number of stackings = 23
+Number of adjacent stackings = 21
+Number of non adjacent stackings = 2
+Base-pairs ------------------------------------------------------
+A1-A38 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A37 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A36 : U-A Ww/Ww pairing antiparallel cis XX 
+A4-A35 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-A34 : C-G Ww/Ww pairing antiparallel cis XIX 
+A7-A8 : G-A O2'/C8 adjacent_5p pairing 
+A7-A32 : G-A Ss/Hh pairing antiparallel trans XI 
+A8-A31 : A-U Bh/Ws pairing antiparallel trans one_hbond 
+A10-A27 : A-A Wh/Ss pairing antiparallel trans one_hbond 40 
+A11-A26 : C-U Bh/Bs pairing antiparallel cis 
+A12-A25 : A-G Wh/Ss pairing antiparallel cis one_hbond 63 
+A13-A24 : G-C Ww/Ww pairing antiparallel cis XIX 
+A14-A23 : C-G Ww/Ww pairing antiparallel cis XIX 
+A15-A22 : G-C Ww/Ww pairing antiparallel cis XIX 
+A16-A21 : C-G Ww/Ww pairing antiparallel cis XIX 
+A17-A20 : U-G Ws/Ws pairing parallel trans one_hbond 87 
+A18-A20 : U-G O2'/Hh pairing 
+A26-A27 : U-A O2'/C8 adjacent_5p upward pairing 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : U C3p_endo anti
+A4 : G C2p_exo anti
+A5 : C C4p_exo anti
+A6 : A C4p_exo anti
+A7 : G C3p_endo anti
+A8 : A C3p_endo anti
+A9 : A C2p_exo anti
+A10 : A C3p_endo anti
+A11 : C C3p_endo anti
+A12 : A C3p_endo anti
+A13 : G C3p_endo anti
+A14 : C C3p_endo anti
+A15 : G C3p_endo anti
+A16 : C C3p_endo anti
+A17 : U C3p_endo anti
+A18 : U C1p_exo anti
+A19 : C C3p_exo anti
+A20 : G C4p_exo syn
+A21 : G C2p_exo anti
+A22 : C C4p_exo anti
+A23 : G C3p_endo anti
+A24 : C C4p_exo anti
+A25 : G C3p_endo anti
+A26 : U C4p_exo anti
+A27 : A C3p_endo anti
+A28 : U C3p_endo anti
+A29 : A C2p_endo anti
+A30 : U C1p_exo anti
+A31 : U C3p_endo anti
+A32 : A O4p_endo anti
+A33 : C C3p_endo anti
+A34 : G C3p_endo anti
+A35 : C C3p_endo anti
+A36 : A C2p_exo anti
+A37 : C C3p_endo anti
+A38 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A21-A22 : adjacent_5p upward 
+A23-A24 : adjacent_5p upward 
+A24-A25 : adjacent_5p upward 
+A25-A26 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+A27-A28 : adjacent_5p upward 
+A32-A33 : adjacent_5p upward 
+A34-A35 : adjacent_5p upward 
+A36-A37 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A8-A32 : outward 
+A15-A23 : outward 
+Number of stackings = 22
+Number of adjacent stackings = 20
+Number of non adjacent stackings = 2
+Base-pairs ------------------------------------------------------
+A1-A38 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A37 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A36 : U-A Ww/Ww pairing antiparallel cis XX 
+A4-A35 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-A34 : C-G Ww/Ww pairing antiparallel cis XIX 
+A6-A33 : A-C Ww/Wh pairing antiparallel cis one_hbond 71 
+A7-A8 : G-A O2'/C8 adjacent_5p pairing 
+A7-A32 : G-A Ss/Hw pairing antiparallel trans XI 
+A8-A31 : A-U Bh/Ws pairing antiparallel trans one_hbond 
+A9-A28 : A-U Bh/O2' pairing 
+A10-A27 : A-A Wh/Ss pairing antiparallel trans one_hbond 40 
+A11-A26 : C-U Wh/Ws pairing antiparallel cis one_hbond 100 
+A12-A25 : A-G Wh/Ss Ww/O2' pairing antiparallel trans one_hbond 63 
+A13-A24 : G-C Ww/Ww pairing antiparallel cis XIX 
+A14-A23 : C-G Ww/Ww pairing antiparallel cis XIX 
+A15-A22 : G-C Ww/Ww pairing antiparallel cis XIX 
+A16-A21 : C-G Ww/Ww pairing antiparallel cis XIX 
+A18-A19 : U-C O2P/Bh adjacent_5p pairing 
+Residue conformations -------------------------------------------
+A1 : G C2p_exo anti
+A2 : G C3p_endo anti
+A3 : U C3p_endo anti
+A4 : G C3p_endo anti
+A5 : C C3p_endo anti
+A6 : A C2p_exo anti
+A7 : G C3p_endo anti
+A8 : A C3p_endo anti
+A9 : A C4p_exo anti
+A10 : A C3p_endo anti
+A11 : C C3p_endo anti
+A12 : A O4p_endo anti
+A13 : G C3p_endo anti
+A14 : C C2p_exo anti
+A15 : G C3p_endo anti
+A16 : C C3p_endo anti
+A17 : U C2p_exo anti
+A18 : U C2p_endo anti
+A19 : C C1p_exo anti
+A20 : G C4p_exo syn
+A21 : G C2p_exo anti
+A22 : C C3p_endo anti
+A23 : G C3p_endo anti
+A24 : C O4p_endo anti
+A25 : G C3p_endo anti
+A26 : U C4p_exo anti
+A27 : A C2p_exo anti
+A28 : U C3p_endo anti
+A29 : A C3p_exo anti
+A30 : U C2p_endo anti
+A31 : U C3p_endo anti
+A32 : A O4p_endo anti
+A33 : C C4p_exo anti
+A34 : G C3p_endo anti
+A35 : C C3p_endo anti
+A36 : A C3p_endo anti
+A37 : C C2p_exo anti
+A38 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A20-A21 : adjacent_5p outward 
+A21-A22 : adjacent_5p upward 
+A23-A24 : adjacent_5p upward 
+A24-A25 : adjacent_5p upward 
+A25-A26 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward pairing 
+A32-A33 : adjacent_5p upward 
+A34-A35 : adjacent_5p upward 
+A36-A37 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-A36 : outward 
+A8-A32 : outward 
+A15-A23 : outward 
+A17-A19 : upward 
+Number of stackings = 24
+Number of adjacent stackings = 20
+Number of non adjacent stackings = 4
+Base-pairs ------------------------------------------------------
+A1-A38 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A37 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A36 : U-A Ww/Ww pairing antiparallel cis XX 
+A4-A35 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-A34 : C-G Ww/Ww pairing antiparallel cis XIX 
+A7-A32 : G-A Ss/Hh pairing antiparallel trans XI 
+A8-A31 : A-U Hw/Ws pairing antiparallel trans one_hbond 
+A9-A28 : A-U Ww/O2' Bh/O2' pairing 
+A9-A29 : A-A Hh/Hh pairing parallel trans II 
+A10-A27 : A-A Wh/Ss pairing antiparallel trans one_hbond 40 
+A11-A26 : C-U Bh/Bs pairing antiparallel cis 
+A12-A25 : A-G Hh/Ss Bh/O2' pairing antiparallel trans XI 
+A13-A24 : G-C Ww/Ww pairing antiparallel cis XIX 
+A14-A23 : C-G Ww/Ww pairing antiparallel cis XIX 
+A15-A22 : G-C Ww/Ww pairing antiparallel cis XIX 
+A16-A21 : C-G Ww/Ww pairing antiparallel cis XIX 
+A17-A20 : U-G Bs/Ww O2'/Ww pairing parallel trans 87 
+A18-A20 : U-G O2'/Hh pairing 
+A26-A27 : U-A O2'/C8 adjacent_5p upward pairing 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : U C3p_endo anti
+A4 : G C3p_endo anti
+A5 : C C3p_endo anti
+A6 : A C4p_exo anti
+A7 : G C2p_exo anti
+A8 : A C2p_exo anti
+A9 : A O4p_endo anti
+A10 : A C3p_endo anti
+A11 : C C3p_endo anti
+A12 : A C3p_endo anti
+A13 : G C2p_exo anti
+A14 : C C3p_endo anti
+A15 : G C3p_endo anti
+A16 : C C3p_endo anti
+A17 : U C3p_endo anti
+A18 : U C2p_endo anti
+A19 : C C3p_exo anti
+A20 : G O4p_endo syn
+A21 : G C2p_exo anti
+A22 : C C3p_endo anti
+A23 : G C3p_endo anti
+A24 : C C3p_endo anti
+A25 : G C3p_endo anti
+A26 : U O4p_endo anti
+A27 : A C3p_endo anti
+A28 : U C3p_endo anti
+A29 : A C3p_exo anti
+A30 : U C4p_endo anti
+A31 : U C3p_endo anti
+A32 : A O4p_endo anti
+A33 : C C3p_endo anti
+A34 : G C4p_exo anti
+A35 : C C2p_exo anti
+A36 : A C4p_exo anti
+A37 : C C3p_endo anti
+A38 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A21-A22 : adjacent_5p upward 
+A23-A24 : adjacent_5p upward 
+A24-A25 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+A27-A28 : adjacent_5p upward 
+A32-A33 : adjacent_5p upward 
+A34-A35 : adjacent_5p upward 
+A36-A37 : adjacent_5p upward 
+A37-A38 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-A36 : outward 
+A15-A23 : outward 
+Number of stackings = 22
+Number of adjacent stackings = 20
+Number of non adjacent stackings = 2
+Base-pairs ------------------------------------------------------
+A1-A38 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A37 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A36 : U-A Ww/Ww pairing antiparallel cis XX 
+A4-A35 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-A34 : C-G Ww/Ww pairing antiparallel cis XIX 
+A6-A33 : A-C Ww/Wh pairing antiparallel cis one_hbond 71 
+A7-A32 : G-A Ss/Bh pairing antiparallel trans one_hbond 63 
+A9-A29 : A-A Hw/Hh pairing parallel trans one_hbond 
+A10-A27 : A-A Bh/Ss pairing antiparallel trans one_hbond 40 
+A11-A12 : C-A O2'/C8 adjacent_5p pairing 
+A12-A25 : A-G Bh/Ss pairing antiparallel trans one_hbond 63 
+A13-A24 : G-C Ww/Ww pairing antiparallel cis XIX 
+A14-A23 : C-G Ww/Ww pairing antiparallel cis XIX 
+A15-A22 : G-C Ww/Ww pairing antiparallel cis XIX 
+A16-A21 : C-G Ww/Ww pairing antiparallel cis XIX 
+A17-A20 : U-G Ws/Ws pairing parallel trans one_hbond 87 
+Residue conformations -------------------------------------------
+A1 : G C2p_exo anti
+A2 : G C3p_endo anti
+A3 : U C3p_endo anti
+A4 : G C3p_endo anti
+A5 : C C4p_exo anti
+A6 : A C3p_endo anti
+A7 : G C3p_endo anti
+A8 : A C2p_exo anti
+A9 : A O4p_endo anti
+A10 : A C3p_endo anti
+A11 : C C2p_exo anti
+A12 : A C4p_exo anti
+A13 : G C3p_endo anti
+A14 : C C3p_endo anti
+A15 : G C3p_endo anti
+A16 : C C3p_endo anti
+A17 : U C3p_endo anti
+A18 : U C2p_endo anti
+A19 : C C2p_endo anti
+A20 : G O4p_endo syn
+A21 : G C2p_exo anti
+A22 : C C3p_endo anti
+A23 : G C3p_endo anti
+A24 : C O4p_endo anti
+A25 : G C3p_endo anti
+A26 : U C4p_exo anti
+A27 : A C4p_exo anti
+A28 : U C3p_endo anti
+A29 : A C3p_exo anti
+A30 : U C2p_endo anti
+A31 : U C3p_endo anti
+A32 : A C4p_exo anti
+A33 : C C3p_endo anti
+A34 : G C2p_exo anti
+A35 : C C3p_endo anti
+A36 : A C3p_endo anti
+A37 : C C2p_exo anti
+A38 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A20-A21 : adjacent_5p outward 
+A21-A22 : adjacent_5p upward 
+A22-A23 : adjacent_5p upward 
+A23-A24 : adjacent_5p upward 
+A25-A26 : adjacent_5p upward 
+A32-A33 : adjacent_5p upward 
+A34-A35 : adjacent_5p upward 
+A36-A37 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A8-A32 : outward 
+A15-A23 : outward 
+A17-A19 : upward 
+Number of stackings = 22
+Number of adjacent stackings = 19
+Number of non adjacent stackings = 3
+Base-pairs ------------------------------------------------------
+A1-A38 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A37 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A36 : U-A Ww/Ww pairing antiparallel cis XX 
+A4-A35 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-A34 : C-G Ww/Ww pairing antiparallel cis XIX 
+A6-A33 : A-C Ww/Wh pairing antiparallel cis one_hbond 71 
+A7-A32 : G-A Ss/Hh pairing antiparallel trans XI 
+A8-A31 : A-U Hw/Ws pairing antiparallel trans one_hbond 
+A9-A10 : A-A O2'/C8 adjacent_5p pairing 
+A9-A28 : A-U Bh/O2' pairing 
+A10-A27 : A-A Bh/Ss pairing antiparallel trans one_hbond 40 
+A11-A26 : C-U Wh/Ws pairing antiparallel cis one_hbond 100 
+A12-A25 : A-G Hw/Ss pairing antiparallel trans one_hbond 
+A13-A24 : G-C Ww/Ww pairing antiparallel cis XIX 
+A14-A23 : C-G Ww/Ww pairing antiparallel cis XIX 
+A15-A22 : G-C Ww/Ww pairing antiparallel cis XIX 
+A16-A21 : C-G Ww/Ww pairing antiparallel cis XIX 
+A17-A20 : U-G Ws/Ws pairing parallel trans one_hbond 87 
+A27-A28 : A-U O2'/Hh adjacent_5p pairing 
+Residue conformations -------------------------------------------
+A1 : G C2p_exo anti
+A2 : G C4p_exo anti
+A3 : U C2p_exo anti
+A4 : G C2p_exo anti
+A5 : C C4p_exo anti
+A6 : A C2p_exo anti
+A7 : G C3p_endo anti
+A8 : A C3p_endo anti
+A9 : A C4p_exo anti
+A10 : A C3p_endo anti
+A11 : C C3p_endo anti
+A12 : A C4p_exo anti
+A13 : G C3p_endo anti
+A14 : C C3p_endo anti
+A15 : G C3p_endo anti
+A16 : C C3p_endo anti
+A17 : U C3p_endo anti
+A18 : U C2p_endo anti
+A19 : C C1p_exo anti
+A20 : G C4p_exo syn
+A21 : G C3p_endo anti
+A22 : C C3p_endo anti
+A23 : G C4p_exo anti
+A24 : C C4p_exo anti
+A25 : G C3p_endo anti
+A26 : U C4p_exo anti
+A27 : A C3p_endo anti
+A28 : U C3p_endo anti
+A29 : A C3p_exo anti
+A30 : U C1p_exo anti
+A31 : U C3p_endo anti
+A32 : A C4p_exo anti
+A33 : C C3p_endo anti
+A34 : G C3p_endo anti
+A35 : C C3p_endo anti
+A36 : A C2p_exo anti
+A37 : C C3p_endo anti
+A38 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A20-A21 : adjacent_5p outward 
+A21-A22 : adjacent_5p upward 
+A23-A24 : adjacent_5p upward 
+A27-A28 : adjacent_5p upward 
+A32-A33 : adjacent_5p upward 
+A34-A35 : adjacent_5p upward 
+A36-A37 : adjacent_5p upward 
+A37-A38 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-A36 : outward 
+A8-A32 : outward 
+A15-A23 : outward 
+Number of stackings = 21
+Number of adjacent stackings = 18
+Number of non adjacent stackings = 3
+Base-pairs ------------------------------------------------------
+A1-A38 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A37 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A36 : U-A Ww/Ww pairing antiparallel cis XX 
+A4-A35 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-A34 : C-G Ww/Ww pairing antiparallel cis XIX 
+A7-A8 : G-A O2'/C8 adjacent_5p pairing 
+A7-A32 : G-A Ss/Hw pairing antiparallel trans XI 
+A8-A31 : A-U Hh/Ws pairing antiparallel trans XXIV 
+A9-A29 : A-A Hh/Hh pairing parallel trans one_hbond 
+A10-A27 : A-A Wh/Ss pairing antiparallel trans one_hbond 40 
+A12-A25 : A-G Hh/Ss pairing antiparallel trans XI 
+A13-A24 : G-C Ww/Ww pairing antiparallel cis XIX 
+A14-A23 : C-G Ww/Ww pairing antiparallel cis XIX 
+A15-A22 : G-C Ww/Ww pairing antiparallel cis XIX 
+A16-A21 : C-G Ww/Ww pairing antiparallel cis XIX 
+A17-A20 : U-G Ws/Ws pairing parallel trans one_hbond 87 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C2p_exo anti
+A3 : U C3p_endo anti
+A4 : G C3p_endo anti
+A5 : C C3p_endo anti
+A6 : A C4p_exo anti
+A7 : G C3p_endo anti
+A8 : A C3p_endo anti
+A9 : A C3p_endo anti
+A10 : A C3p_endo anti
+A11 : C O4p_endo anti
+A12 : A C3p_endo anti
+A13 : G C3p_endo anti
+A14 : C C3p_endo anti
+A15 : G C4p_exo anti
+A16 : C C3p_endo anti
+A17 : U C3p_endo anti
+A18 : U C2p_endo anti
+A19 : C C1p_exo anti
+A20 : G O4p_endo syn
+A21 : G C2p_exo anti
+A22 : C C3p_endo anti
+A23 : G C3p_endo anti
+A24 : C C4p_exo anti
+A25 : G C3p_endo anti
+A26 : U C4p_exo anti
+A27 : A C4p_exo anti
+A28 : U C3p_endo anti
+A29 : A C1p_exo anti
+A30 : U C2p_endo anti
+A31 : U C4p_exo anti
+A32 : A C4p_exo anti
+A33 : C C2p_exo anti
+A34 : G C4p_exo anti
+A35 : C C3p_endo anti
+A36 : A C2p_exo anti
+A37 : C C4p_exo anti
+A38 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A20-A21 : adjacent_5p outward 
+A21-A22 : adjacent_5p upward 
+A23-A24 : adjacent_5p upward 
+A24-A25 : adjacent_5p upward 
+A25-A26 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+A32-A33 : adjacent_5p upward 
+A34-A35 : adjacent_5p upward 
+A35-A36 : adjacent_5p upward 
+A36-A37 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-A36 : outward 
+A8-A32 : outward 
+A15-A23 : outward 
+A17-A19 : upward 
+Number of stackings = 25
+Number of adjacent stackings = 21
+Number of non adjacent stackings = 4
+Base-pairs ------------------------------------------------------
+A1-A38 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A37 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A36 : U-A Ww/Ww pairing antiparallel cis XX 
+A4-A35 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-A34 : C-G Ww/Ww pairing antiparallel cis XIX 
+A6-A33 : A-C Ww/Bh pairing antiparallel cis one_hbond 71 
+A7-A8 : G-A O2'/C8 adjacent_5p pairing 
+A7-A32 : G-A Ss/Hh pairing antiparallel trans XI 
+A8-A31 : A-U Hh/Ws pairing antiparallel trans XXIV 
+A9-A28 : A-U Wh/Ss Bh/O2' pairing antiparallel trans one_hbond 
+A9-A29 : A-A Hh/Hh pairing parallel trans II 
+A10-A27 : A-A Wh/Ss pairing antiparallel trans one_hbond 40 
+A11-A26 : C-U Wh/Ws pairing antiparallel cis one_hbond 100 
+A12-A25 : A-G Wh/Ss pairing antiparallel cis one_hbond 63 
+A13-A24 : G-C Ww/Ww pairing antiparallel cis XIX 
+A14-A23 : C-G Ww/Ww pairing antiparallel cis XIX 
+A15-A22 : G-C Ww/Ww pairing antiparallel cis XIX 
+A16-A21 : C-G Ww/Ww pairing antiparallel cis XIX 
+A18-A20 : U-G O2'/Hh O2'/C8 pairing 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : U C3p_endo anti
+A4 : G C3p_endo anti
+A5 : C C3p_endo anti
+A6 : A C4p_exo anti
+A7 : G C3p_endo anti
+A8 : A C2p_exo anti
+A9 : A O4p_endo anti
+A10 : A C3p_endo anti
+A11 : C C3p_endo anti
+A12 : A C4p_exo anti
+A13 : G C3p_endo anti
+A14 : C C2p_exo anti
+A15 : G C3p_endo anti
+A16 : C C3p_endo anti
+A17 : U C2p_exo anti
+A18 : U C3p_exo anti
+A19 : C C2p_endo anti
+A20 : G O4p_endo syn
+A21 : G C2p_exo anti
+A22 : C C3p_endo anti
+A23 : G C4p_exo anti
+A24 : C O4p_endo anti
+A25 : G C3p_endo anti
+A26 : U O4p_endo anti
+A27 : A C3p_endo anti
+A28 : U C3p_endo anti
+A29 : A C1p_endo anti
+A30 : U C2p_endo anti
+A31 : U C3p_endo anti
+A32 : A C4p_exo anti
+A33 : C C3p_endo anti
+A34 : G C2p_exo anti
+A35 : C C3p_endo anti
+A36 : A C3p_endo anti
+A37 : C C3p_endo anti
+A38 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A21-A22 : adjacent_5p upward 
+A23-A24 : adjacent_5p upward 
+A24-A25 : adjacent_5p upward 
+A25-A26 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+A32-A33 : adjacent_5p upward 
+A34-A35 : adjacent_5p upward 
+A35-A36 : adjacent_5p upward 
+A36-A37 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-A36 : outward 
+A8-A32 : outward 
+A15-A23 : outward 
+A17-A19 : upward 
+Number of stackings = 23
+Number of adjacent stackings = 19
+Number of non adjacent stackings = 4
+Base-pairs ------------------------------------------------------
+A1-A38 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A37 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A36 : U-A Ww/Ww pairing antiparallel cis XX 
+A4-A35 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-A34 : C-G Ww/Ww pairing antiparallel cis XIX 
+A7-A8 : G-A O2'/C8 adjacent_5p pairing 
+A7-A32 : G-A Ss/Hh pairing antiparallel trans XI 
+A8-A31 : A-U Bh/Ws pairing antiparallel trans one_hbond 
+A9-A28 : A-U Wh/Ss pairing antiparallel trans one_hbond 
+A9-A29 : A-A Hw/Hh pairing parallel trans one_hbond 
+A10-A27 : A-A Bh/Ss pairing antiparallel trans one_hbond 40 
+A13-A24 : G-C Ww/Ww pairing antiparallel cis XIX 
+A14-A23 : C-G Ww/Ww pairing antiparallel cis XIX 
+A15-A22 : G-C Ww/Ww pairing antiparallel cis XIX 
+A16-A21 : C-G Ww/Ww pairing antiparallel cis XIX 
+A17-A20 : U-G Ws/Ws pairing parallel trans one_hbond 87 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C2p_exo anti
+A3 : U C3p_endo anti
+A4 : G C4p_exo anti
+A5 : C C3p_endo anti
+A6 : A C4p_exo anti
+A7 : G C3p_endo anti
+A8 : A C3p_endo anti
+A9 : A O4p_endo anti
+A10 : A C3p_endo anti
+A11 : C C3p_endo anti
+A12 : A C4p_exo anti
+A13 : G C3p_endo anti
+A14 : C C2p_exo anti
+A15 : G C3p_endo anti
+A16 : C C3p_endo anti
+A17 : U C3p_endo anti
+A18 : U C2p_endo anti
+A19 : C C1p_exo anti
+A20 : G C4p_exo syn
+A21 : G C3p_endo anti
+A22 : C C3p_endo anti
+A23 : G C4p_exo anti
+A24 : C O4p_endo anti
+A25 : G C3p_endo anti
+A26 : U C4p_exo anti
+A27 : A C3p_endo anti
+A28 : U C3p_endo anti
+A29 : A C2p_endo anti
+A30 : U C2p_endo anti
+A31 : U C3p_endo anti
+A32 : A C4p_exo anti
+A33 : C C3p_endo anti
+A34 : G C3p_endo anti
+A35 : C C3p_endo anti
+A36 : A C2p_exo anti
+A37 : C C4p_exo anti
+A38 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A21-A22 : adjacent_5p upward 
+A23-A24 : adjacent_5p upward 
+A24-A25 : adjacent_5p upward 
+A25-A26 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward pairing 
+A27-A28 : adjacent_5p upward 
+A32-A33 : adjacent_5p upward 
+A34-A35 : adjacent_5p upward 
+A36-A37 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-A36 : outward 
+A6-A34 : outward 
+A15-A23 : outward 
+Number of stackings = 24
+Number of adjacent stackings = 21
+Number of non adjacent stackings = 3
+Base-pairs ------------------------------------------------------
+A1-A38 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A37 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A36 : U-A Ww/Ww pairing antiparallel cis XX 
+A4-A35 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-A34 : C-G Ww/Ww pairing antiparallel cis XIX 
+A6-A33 : A-C Ww/Wh pairing antiparallel cis one_hbond 71 
+A7-A32 : G-A Ss/Hh pairing antiparallel trans XI 
+A8-A31 : A-U Hh/Ws pairing antiparallel trans XXIV 
+A9-A28 : A-U Bh/O2' pairing 
+A10-A27 : A-A Bh/Ss pairing antiparallel trans one_hbond 40 
+A12-A25 : A-G Wh/Ss Ww/O2' pairing antiparallel trans one_hbond 63 
+A13-A24 : G-C Ww/Ww pairing antiparallel cis XIX 
+A14-A23 : C-G Ww/Ww pairing antiparallel cis XIX 
+A15-A22 : G-C Ww/Ww pairing antiparallel cis XIX 
+A16-A21 : C-G Ww/Ww pairing antiparallel cis XIX 
+A26-A27 : U-A O2'/C8 adjacent_5p upward pairing 
diff --git a/MCdata/1b7f_MC b/MCdata/1b7f_MC
new file mode 100644
index 0000000000000000000000000000000000000000..8c42b46c91b6cee4044039abfc4a7b6e828b6e41
--- /dev/null
+++ b/MCdata/1b7f_MC
@@ -0,0 +1,453 @@
+Residue conformations -------------------------------------------
+P1 : G C1p_exo syn
+P2 : U C2p_endo anti
+P3 : U C1p_exo anti
+P4 : G C2p_endo anti
+P5 : U C2p_endo anti
+P6 : U C1p_exo anti
+P7 : U C2p_exo anti
+P8 : U C4p_exo anti
+P9 : U C2p_endo anti
+P10 : U C2p_endo anti
+P11 : U C2p_exo anti
+P12 : U C4p_endo syn
+Q1 : G O4p_endo syn
+Q2 : U O4p_exo syn
+Q3 : U C2p_endo anti
+Q4 : G C3p_exo anti
+Q5 : U C2p_endo anti
+Q6 : U C1p_exo anti
+Q7 : U C2p_exo anti
+Q8 : U C3p_endo anti
+Q9 : U C2p_endo anti
+Q10 : U C2p_endo anti
+Q11 : U O4p_endo anti
+Q12 : U O4p_endo syn
+A123 : SER
+A124 : ASN
+A125 : THR
+A126 : ASN
+A127 : LEU
+A128 : ILE
+A129 : VAL
+A130 : ASN
+A131 : TYR
+A132 : LEU
+A133 : PRO
+A134 : GLN
+A135 : ASP
+A136 : MET
+A137 : THR
+A138 : ASP
+A139 : ARG
+A140 : GLU
+A141 : LEU
+A142 : TYR
+A143 : ALA
+A144 : LEU
+A145 : PHE
+A146 : ARG
+A147 : ALA
+A148 : ILE
+A149 : GLY
+A150 : PRO
+A151 : ILE
+A152 : ASN
+A153 : THR
+A154 : CYS
+A155 : ARG
+A156 : ILE
+A157 : MET
+A158 : ARG
+A159 : ASP
+A160 : TYR
+A161 : LYS
+A162 : THR
+A163 : GLY
+A164 : TYR
+A165 : SER
+A166 : TYR
+A167 : GLY
+A168 : TYR
+A169 : ALA
+A170 : PHE
+A171 : VAL
+A172 : ASP
+A173 : PHE
+A174 : THR
+A175 : SER
+A176 : GLU
+A177 : MET
+A178 : ASP
+A179 : SER
+A180 : GLN
+A181 : ARG
+A182 : ALA
+A183 : ILE
+A184 : LYS
+A185 : VAL
+A186 : LEU
+A187 : ASN
+A188 : GLY
+A189 : ILE
+A190 : THR
+A191 : VAL
+A192 : ARG
+A193 : ASN
+A194 : LYS
+A195 : ARG
+A196 : LEU
+A197 : LYS
+A198 : VAL
+A199 : SER
+A200 : TYR
+A201 : ALA
+A202 : ARG
+A203 : PRO
+A204 : GLY
+A205 : GLY
+A206 : GLU
+A207 : SER
+A208 : ILE
+A209 : LYS
+A210 : ASP
+A211 : THR
+A212 : ASN
+A213 : LEU
+A214 : TYR
+A215 : VAL
+A216 : THR
+A217 : ASN
+A218 : LEU
+A219 : PRO
+A220 : ARG
+A221 : THR
+A222 : ILE
+A223 : THR
+A224 : ASP
+A225 : ASP
+A226 : GLN
+A227 : LEU
+A228 : ASP
+A229 : THR
+A230 : ILE
+A231 : PHE
+A232 : GLY
+A233 : LYS
+A234 : TYR
+A235 : GLY
+A236 : SER
+A237 : ILE
+A238 : VAL
+A239 : GLN
+A240 : LYS
+A241 : ASN
+A242 : ILE
+A243 : LEU
+A244 : ARG
+A245 : ASP
+A246 : LYS
+A247 : LEU
+A248 : THR
+A249 : GLY
+A250 : ARG
+A251 : PRO
+A252 : ARG
+A253 : GLY
+A254 : VAL
+A255 : ALA
+A256 : PHE
+A257 : VAL
+A258 : ARG
+A259 : TYR
+A260 : ASN
+A261 : LYS
+A262 : ARG
+A263 : GLU
+A264 : GLU
+A265 : ALA
+A266 : GLN
+A267 : GLU
+A268 : ALA
+A269 : ILE
+A270 : SER
+A271 : ALA
+A272 : LEU
+A273 : ASN
+A274 : ASN
+A275 : VAL
+A276 : ILE
+A277 : PRO
+A278 : GLU
+A279 : GLY
+A280 : GLY
+A281 : SER
+A282 : GLN
+A283 : PRO
+A284 : LEU
+A285 : SER
+A286 : VAL
+A287 : ARG
+A288 : LEU
+A289 : ALA
+B123 : SER
+B124 : ASN
+B125 : THR
+B126 : ASN
+B127 : LEU
+B128 : ILE
+B129 : VAL
+B130 : ASN
+B131 : TYR
+B132 : LEU
+B133 : PRO
+B134 : GLN
+B135 : ASP
+B136 : MET
+B137 : THR
+B138 : ASP
+B139 : ARG
+B140 : GLU
+B141 : LEU
+B142 : TYR
+B143 : ALA
+B144 : LEU
+B145 : PHE
+B146 : ARG
+B147 : ALA
+B148 : ILE
+B149 : GLY
+B150 : PRO
+B151 : ILE
+B152 : ASN
+B153 : THR
+B154 : CYS
+B155 : ARG
+B156 : ILE
+B157 : MET
+B158 : ARG
+B159 : ASP
+B160 : TYR
+B161 : LYS
+B162 : THR
+B163 : GLY
+B164 : TYR
+B165 : SER
+B166 : TYR
+B167 : GLY
+B168 : TYR
+B169 : ALA
+B170 : PHE
+B171 : VAL
+B172 : ASP
+B173 : PHE
+B174 : THR
+B175 : SER
+B176 : GLU
+B177 : MET
+B178 : ASP
+B179 : SER
+B180 : GLN
+B181 : ARG
+B182 : ALA
+B183 : ILE
+B184 : LYS
+B185 : VAL
+B186 : LEU
+B187 : ASN
+B188 : GLY
+B189 : ILE
+B190 : THR
+B191 : VAL
+B192 : ARG
+B193 : ASN
+B194 : LYS
+B195 : ARG
+B196 : LEU
+B197 : LYS
+B198 : VAL
+B199 : SER
+B200 : TYR
+B201 : ALA
+B202 : ARG
+B203 : PRO
+B204 : GLY
+B205 : GLY
+B206 : GLU
+B207 : SER
+B208 : ILE
+B209 : LYS
+B210 : ASP
+B211 : THR
+B212 : ASN
+B213 : LEU
+B214 : TYR
+B215 : VAL
+B216 : THR
+B217 : ASN
+B218 : LEU
+B219 : PRO
+B220 : ARG
+B221 : THR
+B222 : ILE
+B223 : THR
+B224 : ASP
+B225 : ASP
+B226 : GLN
+B227 : LEU
+B228 : ASP
+B229 : THR
+B230 : ILE
+B231 : PHE
+B232 : GLY
+B233 : LYS
+B234 : TYR
+B235 : GLY
+B236 : SER
+B237 : ILE
+B238 : VAL
+B239 : GLN
+B240 : LYS
+B241 : ASN
+B242 : ILE
+B243 : LEU
+B244 : ARG
+B245 : ASP
+B246 : LYS
+B247 : LEU
+B248 : THR
+B249 : GLY
+B250 : ARG
+B251 : PRO
+B252 : ARG
+B253 : GLY
+B254 : VAL
+B255 : ALA
+B256 : PHE
+B257 : VAL
+B258 : ARG
+B259 : TYR
+B260 : ASN
+B261 : LYS
+B262 : ARG
+B263 : GLU
+B264 : GLU
+B265 : ALA
+B266 : GLN
+B267 : GLU
+B268 : ALA
+B269 : ILE
+B270 : SER
+B271 : ALA
+B272 : LEU
+B273 : ASN
+B274 : ASN
+B275 : VAL
+B276 : ILE
+B277 : PRO
+B278 : GLU
+B279 : GLY
+B280 : GLY
+B281 : SER
+B282 : GLN
+B283 : PRO
+B284 : LEU
+B285 : SER
+B286 : VAL
+B287 : ARG
+B288 : LEU
+B289 : ALA
+P42 : HOH
+P59 : HOH
+P62 : HOH
+P104 : HOH
+P116 : HOH
+P128 : HOH
+P149 : HOH
+Q20 : HOH
+Q32 : HOH
+Q48 : HOH
+Q78 : HOH
+Q123 : HOH
+Q132 : HOH
+Q143 : HOH
+Q145 : HOH
+A290 : HOH
+A291 : HOH
+A292 : HOH
+A293 : HOH
+A294 : HOH
+A295 : HOH
+A296 : HOH
+A297 : HOH
+A298 : HOH
+A299 : HOH
+A300 : HOH
+A301 : HOH
+A302 : HOH
+A303 : HOH
+A304 : HOH
+A305 : HOH
+A306 : HOH
+A307 : HOH
+A308 : HOH
+A309 : HOH
+A310 : HOH
+A311 : HOH
+A312 : HOH
+A313 : HOH
+A314 : HOH
+A315 : HOH
+A316 : HOH
+A317 : HOH
+A318 : HOH
+A319 : HOH
+A320 : HOH
+A321 : HOH
+A322 : HOH
+A323 : HOH
+A324 : HOH
+A325 : HOH
+B290 : HOH
+B291 : HOH
+B292 : HOH
+B293 : HOH
+B294 : HOH
+B295 : HOH
+B296 : HOH
+B297 : HOH
+B298 : HOH
+B299 : HOH
+B300 : HOH
+B301 : HOH
+B302 : HOH
+B303 : HOH
+B304 : HOH
+B305 : HOH
+B306 : HOH
+B307 : HOH
+B308 : HOH
+B309 : HOH
+B310 : HOH
+B311 : HOH
+B312 : HOH
+B313 : HOH
+B314 : HOH
+B315 : HOH
+B316 : HOH
+B317 : HOH
+B318 : HOH
+B319 : HOH
+B320 : HOH
+B321 : HOH
+B322 : HOH
+Adjacent stackings ----------------------------------------------
+P7-P8 : adjacent_5p upward 
+Q7-Q8 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 2
+Number of adjacent stackings = 2
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+Q3-Q4 : U-G O2P/Hh O2P/Hh adjacent_5p pairing 
+Q9-Q10 : U-U Ss/Hh adjacent_5p pairing parallel cis one_hbond 
diff --git a/MCdata/1bau_MC b/MCdata/1bau_MC
new file mode 100644
index 0000000000000000000000000000000000000000..9fa7853ff16976ddd205eb8d105804af74b15b89
--- /dev/null
+++ b/MCdata/1bau_MC
@@ -0,0 +1,108 @@
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : C C3p_endo anti
+A4 : A C3p_endo anti
+A5 : A C3p_endo anti
+A6 : U C3p_endo anti
+A7 : G C2p_endo anti
+A8 : A C3p_endo anti
+A9 : A C3p_endo anti
+A10 : G C3p_endo anti
+A11 : C C3p_endo anti
+A12 : G C3p_endo anti
+A13 : C C3p_endo anti
+A14 : G C3p_endo anti
+A15 : C C3p_endo anti
+A16 : A C3p_endo anti
+A17 : C C3p_endo anti
+A18 : G C3p_endo anti
+A19 : U C3p_endo anti
+A20 : U C3p_endo anti
+A21 : G C3p_endo anti
+A22 : C C3p_endo anti
+A23 : C C3p_endo anti
+B1 : G C3p_endo anti
+B2 : G C3p_endo anti
+B3 : C C3p_endo anti
+B4 : A C3p_endo anti
+B5 : A C3p_endo anti
+B6 : U C3p_endo anti
+B7 : G C2p_endo anti
+B8 : A C3p_endo anti
+B9 : A C3p_endo anti
+B10 : G C3p_endo anti
+B11 : C C3p_endo anti
+B12 : G C3p_endo anti
+B13 : C C3p_endo anti
+B14 : G C3p_endo anti
+B15 : C C3p_endo anti
+B16 : A C3p_endo anti
+B17 : C C3p_endo anti
+B18 : G C3p_endo anti
+B19 : U C3p_endo anti
+B20 : U C3p_endo anti
+B21 : G C3p_endo anti
+B22 : C C3p_endo anti
+B23 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+A21-A22 : adjacent_5p upward 
+A22-A23 : adjacent_5p upward 
+B1-B2 : adjacent_5p upward 
+B2-B3 : adjacent_5p upward 
+B4-B5 : adjacent_5p upward 
+B5-B6 : adjacent_5p upward 
+B6-B7 : adjacent_5p upward 
+B10-B11 : adjacent_5p upward 
+B12-B13 : adjacent_5p upward 
+B14-B15 : adjacent_5p upward 
+B15-B16 : adjacent_5p upward 
+B18-B19 : adjacent_5p upward 
+B19-B20 : adjacent_5p upward 
+B21-B22 : adjacent_5p upward 
+B22-B23 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-A21 : outward 
+A9-B17 : outward 
+B4-B21 : outward 
+Number of stackings = 29
+Number of adjacent stackings = 26
+Number of non adjacent stackings = 3
+Base-pairs ------------------------------------------------------
+A1-A23 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A22 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A21 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-A20 : A-U Ww/Ww pairing antiparallel cis XX 
+A5-A19 : A-U Ww/Ww pairing antiparallel cis XX 
+A6-A18 : U-G Ws/Ww pairing antiparallel cis XXVIII 
+A8-A10 : A-G C8/O2P pairing 
+A8-A11 : A-C Bh/O2P pairing 
+A8-B9 : A-A O2'/C8 pairing 
+A9-B8 : A-A C8/O2' pairing 
+A9-B16 : A-A Wh/Ss pairing antiparallel cis one_hbond 40 
+A10-B15 : G-C Ww/Ww pairing antiparallel cis 127 
+A11-B14 : C-G Ww/Ww pairing antiparallel cis 128 
+A12-B13 : G-C Ww/Ww pairing antiparallel cis 128 
+A13-B12 : C-G Ww/Ww pairing antiparallel cis 128 
+A14-B11 : G-C Ww/Ww pairing antiparallel cis XIX 
+A15-B10 : C-G Ww/Ww pairing antiparallel cis XIX 
+A16-B9 : A-A Ss/Wh pairing antiparallel cis one_hbond 40 
+B1-B23 : G-C Ww/Ww pairing antiparallel cis XIX 
+B2-B22 : G-C Ww/Ww pairing antiparallel cis XIX 
+B3-B21 : C-G Ww/Ww pairing antiparallel cis XIX 
+B4-B20 : A-U Ww/Ww pairing antiparallel cis XX 
+B5-B19 : A-U Ww/Ww pairing antiparallel cis XX 
+B6-B18 : U-G Ws/Ww pairing antiparallel cis XXVIII 
+B8-B10 : A-G C8/O2P pairing 
+B8-B11 : A-C Bh/O2P pairing 
diff --git a/MCdata/1bgz_MC b/MCdata/1bgz_MC
new file mode 100644
index 0000000000000000000000000000000000000000..066ddcc8975b3c745a4bc601d753afe14ed710e3
--- /dev/null
+++ b/MCdata/1bgz_MC
@@ -0,0 +1,325 @@
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : G C3p_endo anti
+A4 : A C3p_endo anti
+A5 : U C3p_exo anti
+A6 : A C3p_endo anti
+A7 : C C3p_endo anti
+A8 : U C3p_endo anti
+A9 : G C3p_endo anti
+A10 : C C3p_endo anti
+A11 : U C3p_endo anti
+A12 : U C3p_exo anti
+A13 : C C3p_exo anti
+A14 : G C3p_endo syn
+A15 : G C3p_endo anti
+A16 : U C3p_endo anti
+A17 : A C3p_exo anti
+A18 : A C3p_endo anti
+A19 : G C3p_endo anti
+A20 : U C3p_endo anti
+A21 : C C3p_endo anti
+A22 : C C3p_endo anti
+A23 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A14-A15 : adjacent_5p outward 
+A15-A16 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+A22-A23 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 14
+Number of adjacent stackings = 14
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A1-A23 : G-C Wh/Ww pairing antiparallel cis one_hbond 
+A2-A22 : G-C Ww/Ww pairing antiparallel cis one_hbond 
+A3-A21 : G-C Ww/Ww pairing antiparallel cis XIX 
+A4-A20 : A-U Ww/Ww pairing antiparallel cis XX 
+A5-A7 : U-C O2'/Bh pairing 
+A5-A17 : U-A O2'/Bh pairing 
+A7-A19 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-A18 : U-A Ww/Ww pairing antiparallel cis XX 
+A9-A16 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+A10-A15 : C-G Ws/Ww pairing antiparallel cis one_hbond 130 
+A12-A13 : U-C O2P/Ww adjacent_5p pairing 
+A17-A18 : A-A Ss/Hw adjacent_5p pairing parallel cis one_hbond 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : G C3p_endo anti
+A4 : A C3p_endo anti
+A5 : U C3p_exo anti
+A6 : A C3p_endo anti
+A7 : C C3p_endo anti
+A8 : U C3p_endo anti
+A9 : G C3p_endo anti
+A10 : C C3p_endo anti
+A11 : U C3p_endo anti
+A12 : U C3p_exo anti
+A13 : C C3p_exo anti
+A14 : G C3p_endo syn
+A15 : G C3p_endo anti
+A16 : U C3p_endo anti
+A17 : A C3p_exo anti
+A18 : A C3p_endo anti
+A19 : G C3p_endo anti
+A20 : U C3p_endo anti
+A21 : C C3p_endo anti
+A22 : C C3p_endo anti
+A23 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A14-A15 : adjacent_5p outward 
+A15-A16 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 13
+Number of adjacent stackings = 13
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A2-A22 : G-C Ww/Ww pairing antiparallel cis 
+A3-A21 : G-C Ww/Ww pairing antiparallel cis XIX 
+A4-A20 : A-U Ww/Ww pairing antiparallel cis XX 
+A5-A7 : U-C O2'/Bh pairing 
+A5-A17 : U-A O2'/Bh pairing 
+A7-A19 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-A17 : U-A Wh/Bs pairing antiparallel trans one_hbond 
+A8-A18 : U-A Ww/Ww pairing antiparallel cis XX 
+A9-A16 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+A10-A15 : C-G Ws/Ww pairing antiparallel cis one_hbond 130 
+A12-A13 : U-C O2P/Bh adjacent_5p pairing 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : G C3p_endo anti
+A4 : A C3p_endo anti
+A5 : U C3p_exo anti
+A6 : A C3p_endo anti
+A7 : C C3p_endo anti
+A8 : U C3p_endo anti
+A9 : G C3p_endo anti
+A10 : C C3p_endo anti
+A11 : U C3p_endo anti
+A12 : U C3p_exo anti
+A13 : C C3p_exo anti
+A14 : G C3p_endo syn
+A15 : G C3p_endo anti
+A16 : U C3p_endo anti
+A17 : A C3p_exo anti
+A18 : A C3p_endo anti
+A19 : G C3p_endo anti
+A20 : U C3p_endo anti
+A21 : C C3p_endo anti
+A22 : C C3p_endo anti
+A23 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A14-A15 : adjacent_5p outward 
+A16-A17 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 12
+Number of adjacent stackings = 12
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A1-A23 : G-C Ww/Ww pairing antiparallel cis one_hbond 
+A2-A22 : G-C Ww/Ww pairing antiparallel cis 
+A3-A21 : G-C Ww/Ww pairing antiparallel cis 
+A4-A20 : A-U Ww/Ww pairing antiparallel cis XX 
+A5-A7 : U-C O2'/Bh pairing 
+A5-A17 : U-A O2'/Bh pairing 
+A7-A19 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-A18 : U-A Ww/Ww pairing antiparallel cis XX 
+A9-A16 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+A10-A15 : C-G Ww/Ww pairing antiparallel cis one_hbond 130 
+A12-A13 : U-C O2P/Bh adjacent_5p pairing 
+A17-A18 : A-A Ss/Hw adjacent_5p pairing parallel cis one_hbond 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : G C3p_endo anti
+A4 : A C3p_endo anti
+A5 : U C3p_exo anti
+A6 : A C3p_endo anti
+A7 : C C3p_endo anti
+A8 : U C3p_endo anti
+A9 : G C3p_endo anti
+A10 : C C3p_endo anti
+A11 : U C3p_endo anti
+A12 : U C3p_exo anti
+A13 : C C3p_exo anti
+A14 : G C3p_endo syn
+A15 : G C3p_endo anti
+A16 : U C3p_endo anti
+A17 : A C3p_exo anti
+A18 : A C3p_endo anti
+A19 : G C3p_endo anti
+A20 : U C3p_endo anti
+A21 : C C3p_endo anti
+A22 : C C3p_endo anti
+A23 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A14-A15 : adjacent_5p outward 
+A15-A16 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+A22-A23 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 15
+Number of adjacent stackings = 15
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A1-A23 : G-C Ww/Ww pairing antiparallel cis one_hbond 
+A2-A22 : G-C Ww/Ww pairing antiparallel cis one_hbond 
+A3-A21 : G-C Ww/Ww pairing antiparallel cis XIX 
+A4-A20 : A-U Ww/Ww pairing antiparallel cis XX 
+A5-A7 : U-C Ws/Hw pairing parallel cis one_hbond 99 
+A8-A18 : U-A Ww/Ww pairing antiparallel cis XX 
+A9-A16 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+A10-A15 : C-G Ww/Ww pairing antiparallel cis one_hbond 130 
+A12-A13 : U-C O2P/Bh adjacent_5p pairing 
+A17-A18 : A-A Ss/Hw adjacent_5p pairing parallel cis one_hbond 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : G C3p_endo anti
+A4 : A C3p_endo anti
+A5 : U C3p_exo anti
+A6 : A C3p_endo anti
+A7 : C C3p_endo anti
+A8 : U C3p_endo anti
+A9 : G C3p_endo anti
+A10 : C C3p_endo anti
+A11 : U C3p_endo anti
+A12 : U C3p_exo anti
+A13 : C C3p_exo anti
+A14 : G C3p_endo syn
+A15 : G C3p_endo anti
+A16 : U C3p_endo anti
+A17 : A C3p_exo anti
+A18 : A C3p_endo anti
+A19 : G C3p_endo anti
+A20 : U C3p_endo anti
+A21 : C C3p_endo anti
+A22 : C C3p_endo anti
+A23 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A14-A15 : adjacent_5p outward 
+A15-A16 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+A22-A23 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 15
+Number of adjacent stackings = 15
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A1-A23 : G-C Ww/Ww pairing antiparallel cis one_hbond 
+A2-A22 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A21 : G-C Ww/Ww pairing antiparallel cis XIX 
+A4-A20 : A-U Ww/Ww pairing antiparallel cis XX 
+A5-A7 : U-C Ws/Hw pairing parallel cis one_hbond 99 
+A7-A19 : C-G Ww/Ww pairing antiparallel cis one_hbond 
+A8-A18 : U-A Ww/Ww pairing antiparallel cis XX 
+A9-A16 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+A10-A15 : C-G Ws/Ww pairing antiparallel cis one_hbond 130 
+A12-A13 : U-C O2P/Ww adjacent_5p pairing 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : G C3p_endo anti
+A4 : A C3p_endo anti
+A5 : U C3p_exo anti
+A6 : A C3p_endo anti
+A7 : C C3p_endo anti
+A8 : U C3p_endo anti
+A9 : G C3p_endo anti
+A10 : C C3p_endo anti
+A11 : U C3p_endo anti
+A12 : U C3p_exo anti
+A13 : C C3p_exo anti
+A14 : G C3p_endo syn
+A15 : G C3p_endo anti
+A16 : U C3p_endo anti
+A17 : A C3p_exo anti
+A18 : A C3p_endo anti
+A19 : G C3p_endo anti
+A20 : U C3p_endo anti
+A21 : C C3p_endo anti
+A22 : C C3p_endo anti
+A23 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A14-A15 : adjacent_5p outward 
+A15-A16 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 13
+Number of adjacent stackings = 13
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A1-A23 : G-C Ww/Ww pairing antiparallel cis one_hbond 
+A2-A22 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A21 : G-C Ww/Ww pairing antiparallel cis XIX 
+A4-A20 : A-U Ww/Ww pairing antiparallel cis XX 
+A5-A7 : U-C Ws/Hw pairing parallel cis one_hbond 99 
+A8-A18 : U-A Ww/Ww pairing antiparallel cis XX 
+A9-A16 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+A12-A13 : U-C O2P/Bh adjacent_5p pairing 
diff --git a/MCdata/1biv_MC b/MCdata/1biv_MC
new file mode 100644
index 0000000000000000000000000000000000000000..f306446e8dae02751f3987f8187c565c893c7fc7
--- /dev/null
+++ b/MCdata/1biv_MC
@@ -0,0 +1,426 @@
+Residue conformations -------------------------------------------
+A4 : G C2p_exo anti
+A5 : G C3p_endo anti
+A6 : C C3p_endo anti
+A7 : U C3p_endo anti
+A8 : C C3p_endo anti
+A9 : G C3p_endo anti
+A10 : U C2p_endo anti
+A11 : G C2p_endo anti
+A12 : U C2p_endo anti
+A13 : A C3p_endo anti
+A14 : G C3p_endo anti
+A15 : C C3p_endo anti
+A16 : U C3p_endo anti
+A17 : C C2p_endo syn
+A18 : A C2p_endo anti
+A19 : U C4p_exo anti
+A20 : U C2p_endo anti
+A21 : A C2p_endo anti
+A22 : G C3p_endo anti
+A23 : C C3p_endo anti
+A24 : U C3p_endo anti
+A25 : C C3p_endo anti
+A26 : C C3p_endo anti
+A27 : G C3p_endo anti
+A28 : A C2p_exo anti
+A29 : G C3p_endo anti
+A30 : C C3p_endo anti
+A31 : C C2p_exo anti
+B65 : SER
+B66 : GLY
+B67 : PRO
+B68 : ARG
+B69 : PRO
+B70 : ARG
+B71 : GLY
+B72 : THR
+B73 : ARG
+B74 : GLY
+B75 : LYS
+B76 : GLY
+B77 : ARG
+B78 : ARG
+B79 : ILE
+B80 : ARG
+B81 : ARG
+Adjacent stackings ----------------------------------------------
+A5-A6 : adjacent_5p upward 
+A10-A11 : adjacent_5p downward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A21-A22 : adjacent_5p upward 
+A22-A23 : adjacent_5p upward 
+A23-A24 : adjacent_5p upward 
+A25-A26 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+A27-A28 : adjacent_5p upward 
+A28-A29 : adjacent_5p upward 
+A29-A30 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A5-A31 : outward 
+A9-A27 : outward 
+A11-A13 : upward 
+Number of stackings = 17
+Number of adjacent stackings = 14
+Number of non adjacent stackings = 3
+Base-pairs ------------------------------------------------------
+A4-A31 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-A30 : G-C Ww/Ww pairing antiparallel cis XIX 
+A6-A29 : C-G Ww/Ww pairing antiparallel cis XIX 
+A7-A28 : U-A Ww/Ww pairing antiparallel cis XX 
+A8-A27 : C-G Ww/Ww pairing antiparallel cis XIX 
+A9-A26 : G-C Ww/Ww pairing antiparallel cis XIX 
+A9-B77 : G-ARG pairing one_hbond 
+A10-A13 : U-A Ww/Hh pairing parallel cis XXIII 
+A11-A25 : G-C Ww/Ww pairing antiparallel cis XIX 
+A11-B73 : G-ARG pairing one_hbond 
+A13-A24 : A-U Ww/Ww pairing antiparallel cis XX 
+A14-A23 : G-C Ww/Ww pairing antiparallel cis XIX 
+A14-B70 : G-ARG pairing 
+A15-A22 : C-G Ww/Ww pairing antiparallel cis XIX 
+A16-A21 : U-A Ww/Ww pairing antiparallel cis XX 
+Residue conformations -------------------------------------------
+A4 : G C2p_exo anti
+A5 : G C3p_endo anti
+A6 : C C3p_endo anti
+A7 : U C3p_endo anti
+A8 : C C3p_endo anti
+A9 : G C3p_endo anti
+A10 : U C2p_endo anti
+A11 : G C2p_endo anti
+A12 : U C2p_endo anti
+A13 : A C3p_endo anti
+A14 : G C3p_endo anti
+A15 : C C3p_endo anti
+A16 : U C3p_endo anti
+A17 : C C3p_exo anti
+A18 : A C1p_exo anti
+A19 : U C4p_exo anti
+A20 : U C2p_endo anti
+A21 : A C2p_endo anti
+A22 : G C3p_endo anti
+A23 : C C3p_endo anti
+A24 : U C3p_endo anti
+A25 : C C3p_endo anti
+A26 : C C3p_endo anti
+A27 : G C3p_endo anti
+A28 : A C3p_endo anti
+A29 : G C4p_exo anti
+A30 : C C3p_endo anti
+A31 : C C3p_endo anti
+B65 : SER
+B66 : GLY
+B67 : PRO
+B68 : ARG
+B69 : PRO
+B70 : ARG
+B71 : GLY
+B72 : THR
+B73 : ARG
+B74 : GLY
+B75 : LYS
+B76 : GLY
+B77 : ARG
+B78 : ARG
+B79 : ILE
+B80 : ARG
+B81 : ARG
+Adjacent stackings ----------------------------------------------
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A10-A11 : adjacent_5p downward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A21-A22 : adjacent_5p upward 
+A22-A23 : adjacent_5p upward 
+A23-A24 : adjacent_5p upward 
+A25-A26 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+A27-A28 : adjacent_5p upward 
+A28-A29 : adjacent_5p upward 
+A29-A30 : adjacent_5p upward 
+A30-A31 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A8-A28 : outward 
+A9-A27 : outward 
+A14-A24 : outward 
+Number of stackings = 19
+Number of adjacent stackings = 16
+Number of non adjacent stackings = 3
+Base-pairs ------------------------------------------------------
+A4-A31 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-A30 : G-C Ww/Ww pairing antiparallel cis XIX 
+A6-A29 : C-G Ww/Ww pairing antiparallel cis XIX 
+A7-A28 : U-A Ww/Ww pairing antiparallel cis XX 
+A8-A27 : C-G Ww/Ww pairing antiparallel cis 
+A9-A26 : G-C Ww/Ww pairing antiparallel cis XIX 
+A11-A25 : G-C Ww/Ww pairing antiparallel cis XIX 
+A12-A26 : U-C Ww/O2' pairing 
+A13-A24 : A-U Ww/Ww pairing antiparallel cis XX 
+A14-A23 : G-C Ww/Ww pairing antiparallel cis XIX 
+A14-B70 : G-ARG pairing one_hbond 
+A15-A22 : C-G Ww/Ww pairing antiparallel cis XIX 
+A16-A21 : U-A Ww/Ww pairing antiparallel cis XX 
+A17-A18 : C-A O2'/Hh adjacent_5p pairing 
+Residue conformations -------------------------------------------
+A4 : G C3p_endo anti
+A5 : G C3p_endo anti
+A6 : C C3p_endo anti
+A7 : U C3p_endo anti
+A8 : C C3p_endo anti
+A9 : G C4p_exo anti
+A10 : U C2p_endo anti
+A11 : G C2p_endo anti
+A12 : U C2p_endo anti
+A13 : A C3p_endo anti
+A14 : G C3p_endo anti
+A15 : C C3p_endo anti
+A16 : U C3p_endo anti
+A17 : C C2p_endo anti
+A18 : A C2p_endo anti
+A19 : U C4p_exo anti
+A20 : U C2p_endo anti
+A21 : A C2p_endo anti
+A22 : G C3p_endo anti
+A23 : C C3p_endo anti
+A24 : U C3p_endo anti
+A25 : C C3p_endo anti
+A26 : C C3p_endo anti
+A27 : G C3p_endo anti
+A28 : A C4p_exo anti
+A29 : G C3p_endo anti
+A30 : C C3p_endo anti
+A31 : C C2p_exo anti
+B65 : SER
+B66 : GLY
+B67 : PRO
+B68 : ARG
+B69 : PRO
+B70 : ARG
+B71 : GLY
+B72 : THR
+B73 : ARG
+B74 : GLY
+B75 : LYS
+B76 : GLY
+B77 : ARG
+B78 : ARG
+B79 : ILE
+B80 : ARG
+B81 : ARG
+Adjacent stackings ----------------------------------------------
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A10-A11 : adjacent_5p downward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A21-A22 : adjacent_5p upward 
+A22-A23 : adjacent_5p upward 
+A23-A24 : adjacent_5p upward 
+A25-A26 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+A27-A28 : adjacent_5p upward 
+A28-A29 : adjacent_5p upward 
+A29-A30 : adjacent_5p upward 
+A30-A31 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A9-A27 : outward 
+A11-A13 : upward 
+Number of stackings = 18
+Number of adjacent stackings = 16
+Number of non adjacent stackings = 2
+Base-pairs ------------------------------------------------------
+A4-A31 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-A30 : G-C Ww/Ww pairing antiparallel cis XIX 
+A6-A29 : C-G Ww/Ww pairing antiparallel cis XIX 
+A7-A28 : U-A Ww/Ww pairing antiparallel cis XX 
+A8-A27 : C-G Ww/Ww pairing antiparallel cis XIX 
+A9-A26 : G-C Ww/Ww pairing antiparallel cis XIX 
+A9-B77 : G-ARG pairing one_hbond 
+A10-A13 : U-A Ww/Hh pairing parallel cis XXIII 
+A11-A25 : G-C Ww/Ww pairing antiparallel cis XIX 
+A11-B73 : G-ARG pairing one_hbond 
+A13-A24 : A-U Ww/Ww pairing antiparallel cis XX 
+A14-A23 : G-C Ww/Ww pairing antiparallel cis XIX 
+A14-B70 : G-ARG pairing one_hbond 
+A15-A22 : C-G Ww/Ww pairing antiparallel cis XIX 
+A16-A21 : U-A Ww/Ww pairing antiparallel cis XX 
+A17-A18 : C-A O2'/Hh adjacent_5p pairing 
+Residue conformations -------------------------------------------
+A4 : G C3p_endo anti
+A5 : G C3p_endo anti
+A6 : C C3p_endo anti
+A7 : U C3p_endo anti
+A8 : C C3p_endo anti
+A9 : G C3p_endo anti
+A10 : U C2p_endo anti
+A11 : G C2p_endo anti
+A12 : U C2p_endo anti
+A13 : A C3p_endo anti
+A14 : G C3p_endo anti
+A15 : C C3p_endo anti
+A16 : U C3p_endo anti
+A17 : C C2p_endo anti
+A18 : A C1p_exo anti
+A19 : U C4p_exo anti
+A20 : U C2p_endo anti
+A21 : A C2p_endo anti
+A22 : G C3p_endo anti
+A23 : C C4p_exo anti
+A24 : U C3p_endo anti
+A25 : C C3p_endo anti
+A26 : C C3p_endo anti
+A27 : G C3p_endo anti
+A28 : A C2p_exo anti
+A29 : G C3p_endo anti
+A30 : C C3p_endo anti
+A31 : C C3p_endo anti
+B65 : SER
+B66 : GLY
+B67 : PRO
+B68 : ARG
+B69 : PRO
+B70 : ARG
+B71 : GLY
+B72 : THR
+B73 : ARG
+B74 : GLY
+B75 : LYS
+B76 : GLY
+B77 : ARG
+B78 : ARG
+B79 : ILE
+B80 : ARG
+B81 : ARG
+Adjacent stackings ----------------------------------------------
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A10-A11 : adjacent_5p downward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A21-A22 : adjacent_5p upward 
+A22-A23 : adjacent_5p upward 
+A23-A24 : adjacent_5p upward 
+A25-A26 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+A27-A28 : adjacent_5p upward 
+A28-A29 : adjacent_5p upward 
+A29-A30 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A5-A31 : outward 
+A8-A28 : outward 
+A9-A27 : outward 
+A11-A13 : upward 
+A13-A25 : outward 
+Number of stackings = 21
+Number of adjacent stackings = 16
+Number of non adjacent stackings = 5
+Base-pairs ------------------------------------------------------
+A4-A31 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-A30 : G-C Ww/Ww pairing antiparallel cis XIX 
+A6-A29 : C-G Ww/Ww pairing antiparallel cis XIX 
+A7-A28 : U-A Ww/Ww pairing antiparallel cis XX 
+A8-A27 : C-G Ww/Ww pairing antiparallel cis XIX 
+A9-A26 : G-C Ww/Ww pairing antiparallel cis XIX 
+A10-A13 : U-A Ww/Hh pairing parallel cis XXIII 
+A11-A25 : G-C Ww/Ww pairing antiparallel cis XIX 
+A11-B73 : G-ARG pairing one_hbond 
+A13-A24 : A-U Ww/Ww pairing antiparallel cis XX 
+A14-A23 : G-C Ww/Ww pairing antiparallel cis XIX 
+A14-B70 : G-ARG pairing one_hbond 
+A15-A22 : C-G Ww/Ww pairing antiparallel cis XIX 
+A16-A21 : U-A Ww/Ww pairing antiparallel cis XX 
+Residue conformations -------------------------------------------
+A4 : G C1p_exo anti
+A5 : G C3p_endo anti
+A6 : C C3p_endo anti
+A7 : U C3p_endo anti
+A8 : C C3p_endo anti
+A9 : G C3p_endo anti
+A10 : U C1p_exo anti
+A11 : G C2p_endo anti
+A12 : U C2p_endo anti
+A13 : A C4p_exo anti
+A14 : G C3p_endo anti
+A15 : C C3p_endo anti
+A16 : U C3p_endo anti
+A17 : C C2p_endo anti
+A18 : A C2p_endo anti
+A19 : U C4p_exo anti
+A20 : U C2p_endo anti
+A21 : A C2p_endo anti
+A22 : G C3p_endo anti
+A23 : C C4p_exo anti
+A24 : U C3p_endo anti
+A25 : C C3p_endo anti
+A26 : C C3p_endo anti
+A27 : G C3p_endo anti
+A28 : A C3p_endo anti
+A29 : G C3p_endo anti
+A30 : C C3p_endo anti
+A31 : C C3p_endo anti
+B65 : SER
+B66 : GLY
+B67 : PRO
+B68 : ARG
+B69 : PRO
+B70 : ARG
+B71 : GLY
+B72 : THR
+B73 : ARG
+B74 : GLY
+B75 : LYS
+B76 : GLY
+B77 : ARG
+B78 : ARG
+B79 : ILE
+B80 : ARG
+B81 : ARG
+Adjacent stackings ----------------------------------------------
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A10-A11 : adjacent_5p downward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A21-A22 : adjacent_5p upward 
+A22-A23 : adjacent_5p upward 
+A24-A25 : adjacent_5p upward 
+A27-A28 : adjacent_5p upward 
+A28-A29 : adjacent_5p upward 
+A29-A30 : adjacent_5p upward 
+A30-A31 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A9-A27 : outward 
+A13-A25 : outward 
+Number of stackings = 16
+Number of adjacent stackings = 14
+Number of non adjacent stackings = 2
+Base-pairs ------------------------------------------------------
+A4-A5 : G-G O2'/Hh adjacent_5p pairing 
+A4-A31 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-A30 : G-C Ww/Ww pairing antiparallel cis XIX 
+A6-A29 : C-G Ww/Ww pairing antiparallel cis XIX 
+A7-A28 : U-A Ww/Ww pairing antiparallel cis XX 
+A8-A27 : C-G Ww/Ww pairing antiparallel cis XIX 
+A9-A26 : G-C Ww/Ww pairing antiparallel cis XIX 
+A9-B77 : G-ARG pairing one_hbond 
+A10-A13 : U-A Ww/Hh pairing parallel cis XXIII 
+A11-A25 : G-C Ww/Ww pairing antiparallel cis XIX 
+A13-A24 : A-U Ww/Ww pairing antiparallel cis XX 
+A14-A23 : G-C Ww/Ww pairing antiparallel cis XIX 
+A14-B70 : G-ARG pairing 
+A15-A22 : C-G Ww/Ww pairing antiparallel cis XIX 
+A16-A21 : U-A Ww/Ww pairing antiparallel cis XX 
+A17-A18 : C-A O2'/Hh adjacent_5p pairing 
diff --git a/MCdata/1bj2_MC b/MCdata/1bj2_MC
new file mode 100644
index 0000000000000000000000000000000000000000..775b2f882fed4596bfb0900f3f7aca44ce33a647
--- /dev/null
+++ b/MCdata/1bj2_MC
@@ -0,0 +1,787 @@
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : C C4p_exo anti
+A4 : A C3p_endo anti
+A5 : A C3p_endo anti
+A6 : C C3p_endo anti
+A7 : G C3p_endo anti
+A8 : G C4p_exo anti
+A9 : A C4p_exo anti
+A10 : U C3p_endo anti
+A11 : G C3p_endo anti
+A12 : G C3p_endo anti
+A13 : U C4p_exo anti
+A14 : U C4p_exo anti
+A15 : C C3p_endo anti
+A16 : G C3p_endo anti
+A17 : U C3p_endo anti
+A18 : U C3p_endo anti
+A19 : G C3p_endo anti
+A20 : C C3p_endo anti
+A21 : C C3p_endo anti
+B1 : G C3p_endo anti
+B2 : C C3p_endo anti
+B3 : A C3p_endo anti
+B4 : C C3p_endo anti
+B5 : C C3p_endo anti
+B6 : G C4p_exo anti
+B7 : A C3p_endo anti
+B8 : A C3p_endo anti
+B9 : C C4p_exo anti
+B10 : C C4p_exo anti
+B11 : A C3p_endo anti
+B12 : U C3p_endo anti
+B13 : C C3p_endo anti
+B14 : C C2p_exo anti
+B15 : G C3p_endo anti
+B16 : G C3p_endo anti
+B17 : U C3p_endo anti
+B18 : G C3p_endo anti
+B19 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+B2-B3 : adjacent_5p upward 
+B3-B4 : adjacent_5p upward 
+B7-B8 : adjacent_5p upward 
+B8-B9 : adjacent_5p upward 
+B9-B10 : adjacent_5p upward 
+B10-B11 : adjacent_5p upward 
+B11-B12 : adjacent_5p upward 
+B15-B16 : adjacent_5p upward 
+B16-B17 : adjacent_5p upward 
+B17-B18 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-A19 : outward 
+A5-A18 : outward 
+A7-A16 : outward 
+A7-B7 : upward 
+A9-B13 : outward 
+B3-B18 : outward 
+B5-B16 : outward 
+B6-B15 : outward 
+Number of stackings = 31
+Number of adjacent stackings = 23
+Number of non adjacent stackings = 8
+Base-pairs ------------------------------------------------------
+A1-A21 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A20 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A19 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-A18 : A-U Ww/Ww pairing antiparallel cis XX 
+A5-A17 : A-U Ww/Ww pairing antiparallel cis XX 
+A6-A16 : C-G Ww/Ww pairing antiparallel cis XIX 
+A7-A15 : G-C Ww/Ww pairing antiparallel cis XIX 
+A8-B13 : G-C Ww/Ww pairing antiparallel cis XIX 
+A9-B12 : A-U Ww/Ww pairing antiparallel cis XX 
+A10-B11 : U-A Ww/Ww pairing antiparallel cis XX 
+A11-B10 : G-C Ww/Ww pairing antiparallel cis XIX 
+A12-B9 : G-C Ww/Ww pairing antiparallel cis XIX 
+A13-B8 : U-A Ww/Ww pairing antiparallel cis XX 
+A14-B7 : U-A Ww/Ww pairing antiparallel cis XX 
+B1-B19 : G-C Ww/Ww pairing antiparallel cis XIX 
+B2-B18 : C-G Ww/Ww pairing antiparallel cis XIX 
+B3-B17 : A-U Ww/Ww pairing antiparallel cis XX 
+B4-B16 : C-G Ww/Ww pairing antiparallel cis XIX 
+B5-B15 : C-G Ww/Ww pairing antiparallel cis XIX 
+B6-B14 : G-C Ww/Ww pairing antiparallel cis XIX 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : C C3p_endo anti
+A4 : A C3p_endo anti
+A5 : A C3p_endo anti
+A6 : C C3p_endo anti
+A7 : G C3p_endo anti
+A8 : G C3p_endo anti
+A9 : A C2p_exo anti
+A10 : U C3p_endo anti
+A11 : G C3p_endo anti
+A12 : G C3p_endo anti
+A13 : U C3p_endo anti
+A14 : U C3p_endo anti
+A15 : C C3p_endo anti
+A16 : G C3p_endo anti
+A17 : U C3p_endo anti
+A18 : U C3p_endo anti
+A19 : G C3p_endo anti
+A20 : C C3p_endo anti
+A21 : C C3p_endo anti
+B1 : G C3p_endo anti
+B2 : C C3p_endo anti
+B3 : A C3p_endo anti
+B4 : C C3p_endo anti
+B5 : C C3p_endo anti
+B6 : G C3p_endo anti
+B7 : A C4p_exo anti
+B8 : A C4p_exo anti
+B9 : C C4p_exo anti
+B10 : C C4p_exo anti
+B11 : A C3p_endo anti
+B12 : U C3p_endo anti
+B13 : C C3p_endo anti
+B14 : C C4p_exo anti
+B15 : G C3p_endo anti
+B16 : G C3p_endo anti
+B17 : U C3p_endo anti
+B18 : G C3p_endo anti
+B19 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+B2-B3 : adjacent_5p upward 
+B3-B4 : adjacent_5p upward 
+B7-B8 : adjacent_5p upward 
+B8-B9 : adjacent_5p upward 
+B9-B10 : adjacent_5p upward 
+B10-B11 : adjacent_5p upward 
+B11-B12 : adjacent_5p upward 
+B15-B16 : adjacent_5p upward 
+B16-B17 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-A19 : outward 
+A5-A18 : outward 
+A7-A16 : outward 
+A7-B7 : upward 
+A8-B6 : downward 
+A8-B14 : outward 
+A9-B13 : outward 
+A14-B8 : outward 
+A15-B7 : outward 
+B5-B16 : outward 
+B6-B15 : outward 
+Number of stackings = 31
+Number of adjacent stackings = 20
+Number of non adjacent stackings = 11
+Base-pairs ------------------------------------------------------
+A1-A21 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A20 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A19 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-A18 : A-U Ww/Ww pairing antiparallel cis XX 
+A5-A17 : A-U Ww/Ww pairing antiparallel cis XX 
+A6-A16 : C-G Ww/Ww pairing antiparallel cis XIX 
+A7-A15 : G-C Ww/Ww pairing antiparallel cis XIX 
+A8-B13 : G-C Ww/Ww pairing antiparallel cis XIX 
+A9-B12 : A-U Ww/Ww pairing antiparallel cis XX 
+A10-B11 : U-A Ww/Ww pairing antiparallel cis XX 
+A11-B10 : G-C Ww/Ww pairing antiparallel cis XIX 
+A12-B9 : G-C Ww/Ww pairing antiparallel cis XIX 
+A13-B8 : U-A Ww/Ww pairing antiparallel cis XX 
+A14-B7 : U-A Ww/Ww pairing antiparallel cis XX 
+B1-B19 : G-C Ww/Ww pairing antiparallel cis XIX 
+B2-B18 : C-G Ww/Ww pairing antiparallel cis XIX 
+B3-B17 : A-U Ww/Ww pairing antiparallel cis XX 
+B4-B16 : C-G Ww/Ww pairing antiparallel cis XIX 
+B5-B15 : C-G Ww/Ww pairing antiparallel cis XIX 
+B6-B14 : G-C Ww/Ww pairing antiparallel cis XIX 
+Residue conformations -------------------------------------------
+A1 : G C4p_exo anti
+A2 : G C3p_endo anti
+A3 : C C3p_endo anti
+A4 : A C3p_endo anti
+A5 : A C3p_endo anti
+A6 : C C4p_exo anti
+A7 : G C3p_endo anti
+A8 : G C3p_endo anti
+A9 : A C3p_endo anti
+A10 : U C3p_endo anti
+A11 : G C3p_endo anti
+A12 : G C3p_endo anti
+A13 : U C3p_endo anti
+A14 : U C3p_endo anti
+A15 : C C4p_exo anti
+A16 : G C3p_endo anti
+A17 : U C3p_endo anti
+A18 : U C3p_endo anti
+A19 : G C3p_endo anti
+A20 : C C3p_endo anti
+A21 : C C3p_endo anti
+B1 : G C3p_endo anti
+B2 : C C3p_endo anti
+B3 : A C3p_endo anti
+B4 : C C3p_endo anti
+B5 : C C4p_exo anti
+B6 : G C3p_endo anti
+B7 : A C4p_exo anti
+B8 : A C4p_exo anti
+B9 : C C3p_endo anti
+B10 : C C3p_endo anti
+B11 : A C3p_endo anti
+B12 : U C3p_endo anti
+B13 : C C3p_endo anti
+B14 : C C4p_exo anti
+B15 : G C3p_endo anti
+B16 : G C3p_endo anti
+B17 : U C3p_endo anti
+B18 : G C3p_endo anti
+B19 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+B2-B3 : adjacent_5p upward 
+B3-B4 : adjacent_5p upward 
+B7-B8 : adjacent_5p upward 
+B8-B9 : adjacent_5p upward 
+B10-B11 : adjacent_5p upward 
+B11-B12 : adjacent_5p upward 
+B14-B15 : adjacent_5p upward 
+B15-B16 : adjacent_5p upward 
+B16-B17 : adjacent_5p upward 
+B17-B18 : adjacent_5p upward 
+B18-B19 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A5-A18 : outward 
+A7-A16 : outward 
+A7-B7 : upward 
+A8-B6 : downward 
+A8-B14 : outward 
+A11-B11 : outward 
+A12-B10 : outward 
+A14-B8 : outward 
+B5-B16 : outward 
+B6-B15 : outward 
+Number of stackings = 35
+Number of adjacent stackings = 25
+Number of non adjacent stackings = 10
+Base-pairs ------------------------------------------------------
+A1-A21 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A20 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A19 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-A18 : A-U Ww/Ww pairing antiparallel cis XX 
+A5-A17 : A-U Ww/Ww pairing antiparallel cis XX 
+A6-A16 : C-G Ww/Ww pairing antiparallel cis XIX 
+A7-A15 : G-C Ww/Ww pairing antiparallel cis XIX 
+A8-B13 : G-C Ww/Ww pairing antiparallel cis XIX 
+A9-B12 : A-U Ww/Ww pairing antiparallel cis XX 
+A10-B11 : U-A Ww/Ww pairing antiparallel cis XX 
+A11-B10 : G-C Ww/Ww pairing antiparallel cis XIX 
+A12-B9 : G-C Ww/Ww pairing antiparallel cis XIX 
+A13-B8 : U-A Ww/Ww pairing antiparallel cis XX 
+A14-B7 : U-A Ww/Ww pairing antiparallel cis XX 
+B1-B19 : G-C Ww/Ww pairing antiparallel cis XIX 
+B2-B18 : C-G Ww/Ww pairing antiparallel cis XIX 
+B3-B17 : A-U Ww/Ww pairing antiparallel cis XX 
+B4-B16 : C-G Ww/Ww pairing antiparallel cis XIX 
+B5-B15 : C-G Ww/Ww pairing antiparallel cis XIX 
+B6-B14 : G-C Ww/Ww pairing antiparallel cis XIX 
+Residue conformations -------------------------------------------
+A1 : G C4p_exo anti
+A2 : G C3p_endo anti
+A3 : C C3p_endo anti
+A4 : A C3p_endo anti
+A5 : A C3p_endo anti
+A6 : C C3p_endo anti
+A7 : G C3p_endo anti
+A8 : G C4p_exo anti
+A9 : A C3p_endo anti
+A10 : U C3p_endo anti
+A11 : G C3p_endo anti
+A12 : G C3p_endo anti
+A13 : U C3p_endo anti
+A14 : U C3p_endo anti
+A15 : C C3p_endo anti
+A16 : G C3p_endo anti
+A17 : U C3p_endo anti
+A18 : U C3p_endo anti
+A19 : G C3p_endo anti
+A20 : C C3p_endo anti
+A21 : C C3p_endo anti
+B1 : G C3p_endo anti
+B2 : C C3p_endo anti
+B3 : A C3p_endo anti
+B4 : C C3p_endo anti
+B5 : C C3p_endo anti
+B6 : G C3p_endo anti
+B7 : A C4p_exo anti
+B8 : A C4p_exo anti
+B9 : C C3p_endo anti
+B10 : C C3p_endo anti
+B11 : A C3p_endo anti
+B12 : U C3p_endo anti
+B13 : C C3p_endo anti
+B14 : C C3p_endo anti
+B15 : G C3p_endo anti
+B16 : G C3p_endo anti
+B17 : U C3p_endo anti
+B18 : G C3p_endo anti
+B19 : C C4p_exo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+B2-B3 : adjacent_5p upward 
+B3-B4 : adjacent_5p upward 
+B7-B8 : adjacent_5p upward 
+B8-B9 : adjacent_5p upward 
+B10-B11 : adjacent_5p upward 
+B11-B12 : adjacent_5p upward 
+B15-B16 : adjacent_5p upward 
+B16-B17 : adjacent_5p upward 
+B17-B18 : adjacent_5p upward 
+B18-B19 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A2-A21 : outward 
+A4-A19 : outward 
+A7-A16 : outward 
+A7-B7 : upward 
+A8-B6 : downward 
+A8-B14 : outward 
+A11-B11 : outward 
+A12-B10 : outward 
+B6-B15 : outward 
+Number of stackings = 32
+Number of adjacent stackings = 23
+Number of non adjacent stackings = 9
+Base-pairs ------------------------------------------------------
+A1-A21 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A20 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A19 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-A18 : A-U Ww/Ww pairing antiparallel cis XX 
+A5-A17 : A-U Ww/Ww pairing antiparallel cis XX 
+A6-A16 : C-G Ww/Ww pairing antiparallel cis XIX 
+A7-A15 : G-C Ww/Ww pairing antiparallel cis XIX 
+A8-B13 : G-C Ww/Ww pairing antiparallel cis XIX 
+A9-B12 : A-U Ww/Ww pairing antiparallel cis XX 
+A10-B11 : U-A Ww/Ww pairing antiparallel cis XX 
+A11-B10 : G-C Ww/Ww pairing antiparallel cis XIX 
+A12-B9 : G-C Ww/Ww pairing antiparallel cis XIX 
+A13-B8 : U-A Ww/Ww pairing antiparallel cis XX 
+A14-B7 : U-A Ww/Ww pairing antiparallel cis XX 
+B1-B19 : G-C Ww/Ww pairing antiparallel cis XIX 
+B2-B18 : C-G Ww/Ww pairing antiparallel cis XIX 
+B3-B17 : A-U Ww/Ww pairing antiparallel cis XX 
+B4-B16 : C-G Ww/Ww pairing antiparallel cis XIX 
+B5-B15 : C-G Ww/Ww pairing antiparallel cis XIX 
+B6-B14 : G-C Ww/Ww pairing antiparallel cis XIX 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : C C3p_endo anti
+A4 : A C3p_endo anti
+A5 : A C3p_endo anti
+A6 : C C3p_endo anti
+A7 : G C3p_endo anti
+A8 : G C3p_endo anti
+A9 : A C4p_exo anti
+A10 : U C3p_endo anti
+A11 : G C3p_endo anti
+A12 : G C3p_endo anti
+A13 : U C3p_endo anti
+A14 : U C3p_endo anti
+A15 : C C3p_endo anti
+A16 : G C3p_endo anti
+A17 : U C3p_endo anti
+A18 : U C3p_endo anti
+A19 : G C3p_endo anti
+A20 : C C3p_endo anti
+A21 : C C3p_endo anti
+B1 : G C3p_endo anti
+B2 : C C4p_exo anti
+B3 : A C3p_endo anti
+B4 : C C3p_endo anti
+B5 : C C3p_endo anti
+B6 : G C3p_endo anti
+B7 : A C4p_exo anti
+B8 : A C4p_exo anti
+B9 : C C4p_exo anti
+B10 : C C4p_exo anti
+B11 : A C3p_endo anti
+B12 : U C3p_endo anti
+B13 : C C3p_endo anti
+B14 : C C3p_endo anti
+B15 : G C3p_endo anti
+B16 : G C3p_endo anti
+B17 : U C3p_endo anti
+B18 : G C3p_endo anti
+B19 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+B2-B3 : adjacent_5p upward 
+B3-B4 : adjacent_5p upward 
+B7-B8 : adjacent_5p upward 
+B8-B9 : adjacent_5p upward 
+B9-B10 : adjacent_5p upward 
+B10-B11 : adjacent_5p upward 
+B11-B12 : adjacent_5p upward 
+B15-B16 : adjacent_5p upward 
+B16-B17 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A2-A21 : outward 
+A4-A19 : outward 
+A5-A18 : outward 
+A7-A16 : outward 
+A7-B7 : upward 
+A8-B6 : downward 
+A11-B11 : outward 
+A12-B10 : outward 
+B3-B18 : outward 
+B5-B16 : outward 
+B6-B15 : outward 
+Number of stackings = 32
+Number of adjacent stackings = 21
+Number of non adjacent stackings = 11
+Base-pairs ------------------------------------------------------
+A1-A21 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A20 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A19 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-A18 : A-U Ww/Ww pairing antiparallel cis XX 
+A5-A17 : A-U Ww/Ww pairing antiparallel cis XX 
+A6-A16 : C-G Ww/Ww pairing antiparallel cis XIX 
+A7-A15 : G-C Ww/Ww pairing antiparallel cis XIX 
+A8-B13 : G-C Ww/Ww pairing antiparallel cis XIX 
+A9-B12 : A-U Ww/Ww pairing antiparallel cis XX 
+A10-B11 : U-A Ww/Ww pairing antiparallel cis XX 
+A11-B10 : G-C Ww/Ww pairing antiparallel cis XIX 
+A12-B9 : G-C Ww/Ww pairing antiparallel cis XIX 
+A13-B8 : U-A Ww/Ww pairing antiparallel cis XX 
+A14-B7 : U-A Ww/Ww pairing antiparallel cis XX 
+B1-B19 : G-C Ww/Ww pairing antiparallel cis XIX 
+B2-B18 : C-G Ww/Ww pairing antiparallel cis XIX 
+B3-B17 : A-U Ww/Ww pairing antiparallel cis XX 
+B4-B16 : C-G Ww/Ww pairing antiparallel cis XIX 
+B5-B15 : C-G Ww/Ww pairing antiparallel cis XIX 
+B6-B14 : G-C Ww/Ww pairing antiparallel cis XIX 
+Residue conformations -------------------------------------------
+A1 : G C4p_exo anti
+A2 : G C3p_endo anti
+A3 : C C3p_endo anti
+A4 : A C3p_endo anti
+A5 : A C3p_endo anti
+A6 : C C3p_endo anti
+A7 : G C3p_endo anti
+A8 : G C4p_exo anti
+A9 : A C2p_exo anti
+A10 : U C3p_endo anti
+A11 : G C3p_endo anti
+A12 : G C3p_endo anti
+A13 : U C3p_endo anti
+A14 : U C3p_endo anti
+A15 : C C4p_exo anti
+A16 : G C3p_endo anti
+A17 : U C3p_endo anti
+A18 : U C3p_endo anti
+A19 : G C4p_exo anti
+A20 : C C3p_endo anti
+A21 : C C3p_endo anti
+B1 : G C3p_endo anti
+B2 : C C3p_endo anti
+B3 : A C3p_endo anti
+B4 : C C3p_endo anti
+B5 : C C4p_exo anti
+B6 : G C3p_endo anti
+B7 : A C4p_exo anti
+B8 : A C4p_exo anti
+B9 : C C3p_endo anti
+B10 : C C3p_endo anti
+B11 : A C3p_endo anti
+B12 : U C3p_endo anti
+B13 : C C3p_endo anti
+B14 : C C4p_exo anti
+B15 : G C3p_endo anti
+B16 : G C3p_endo anti
+B17 : U C3p_endo anti
+B18 : G C3p_endo anti
+B19 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+B2-B3 : adjacent_5p upward 
+B3-B4 : adjacent_5p upward 
+B7-B8 : adjacent_5p upward 
+B8-B9 : adjacent_5p upward 
+B9-B10 : adjacent_5p upward 
+B10-B11 : adjacent_5p upward 
+B11-B12 : adjacent_5p upward 
+B14-B15 : adjacent_5p upward 
+B15-B16 : adjacent_5p upward 
+B16-B17 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A5-A18 : outward 
+A7-A16 : outward 
+A7-B7 : upward 
+A8-B6 : downward 
+A8-B14 : outward 
+A11-B11 : outward 
+B6-B15 : outward 
+Number of stackings = 30
+Number of adjacent stackings = 23
+Number of non adjacent stackings = 7
+Base-pairs ------------------------------------------------------
+A1-A21 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A20 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A19 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-A18 : A-U Ww/Ww pairing antiparallel cis XX 
+A5-A17 : A-U Ww/Ww pairing antiparallel cis XX 
+A6-A16 : C-G Ww/Ww pairing antiparallel cis XIX 
+A7-A15 : G-C Ww/Ww pairing antiparallel cis XIX 
+A8-B13 : G-C Ww/Ww pairing antiparallel cis XIX 
+A9-B12 : A-U Ww/Ww pairing antiparallel cis XX 
+A10-B11 : U-A Ww/Ww pairing antiparallel cis XX 
+A11-B10 : G-C Ww/Ww pairing antiparallel cis XIX 
+A12-B9 : G-C Ww/Ww pairing antiparallel cis XIX 
+A13-B8 : U-A Ww/Ww pairing antiparallel cis XX 
+A14-B7 : U-A Ww/Ww pairing antiparallel cis XX 
+B1-B19 : G-C Ww/Ww pairing antiparallel cis XIX 
+B2-B18 : C-G Ww/Ww pairing antiparallel cis XIX 
+B3-B17 : A-U Ww/Ww pairing antiparallel cis XX 
+B4-B16 : C-G Ww/Ww pairing antiparallel cis XIX 
+B5-B15 : C-G Ww/Ww pairing antiparallel cis XIX 
+B6-B14 : G-C Ww/Ww pairing antiparallel cis XIX 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : C C3p_endo anti
+A4 : A C3p_endo anti
+A5 : A C3p_endo anti
+A6 : C C3p_endo anti
+A7 : G C3p_endo anti
+A8 : G C3p_endo anti
+A9 : A C3p_endo anti
+A10 : U C3p_endo anti
+A11 : G C3p_endo anti
+A12 : G C3p_endo anti
+A13 : U C4p_exo anti
+A14 : U C4p_exo anti
+A15 : C C4p_exo anti
+A16 : G C3p_endo anti
+A17 : U C3p_endo anti
+A18 : U C3p_endo anti
+A19 : G C3p_endo anti
+A20 : C C3p_endo anti
+A21 : C C3p_endo anti
+B1 : G C3p_endo anti
+B2 : C C3p_endo anti
+B3 : A C3p_endo anti
+B4 : C C3p_endo anti
+B5 : C C4p_exo anti
+B6 : G C4p_exo anti
+B7 : A C4p_exo anti
+B8 : A C3p_endo anti
+B9 : C C3p_endo anti
+B10 : C C3p_endo anti
+B11 : A C3p_endo anti
+B12 : U C3p_endo anti
+B13 : C C2p_exo anti
+B14 : C C3p_endo anti
+B15 : G C3p_endo anti
+B16 : G C3p_endo anti
+B17 : U C3p_endo anti
+B18 : G C3p_endo anti
+B19 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+B1-B2 : adjacent_5p upward 
+B2-B3 : adjacent_5p upward 
+B3-B4 : adjacent_5p upward 
+B5-B6 : adjacent_5p upward 
+B7-B8 : adjacent_5p upward 
+B8-B9 : adjacent_5p upward 
+B10-B11 : adjacent_5p upward 
+B11-B12 : adjacent_5p upward 
+B15-B16 : adjacent_5p upward 
+B16-B17 : adjacent_5p upward 
+B18-B19 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A2-A21 : outward 
+A4-A19 : outward 
+A7-A16 : outward 
+A8-B6 : downward 
+A9-B13 : outward 
+A11-B11 : outward 
+B3-B18 : outward 
+Number of stackings = 28
+Number of adjacent stackings = 21
+Number of non adjacent stackings = 7
+Base-pairs ------------------------------------------------------
+A1-A21 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A20 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A19 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-A18 : A-U Ww/Ww pairing antiparallel cis XX 
+A5-A17 : A-U Ww/Ww pairing antiparallel cis XX 
+A6-A16 : C-G Ww/Ww pairing antiparallel cis XIX 
+A7-A15 : G-C Ww/Ww pairing antiparallel cis XIX 
+A7-B7 : G-A Bs/O2' pairing 
+A8-B13 : G-C Ww/Ww pairing antiparallel cis XIX 
+A9-B7 : A-A O2P/Hh pairing 
+A9-B12 : A-U Ww/Ww pairing antiparallel cis XX 
+A10-B11 : U-A Ww/Ww pairing antiparallel cis XX 
+A11-B10 : G-C Ww/Ww pairing antiparallel cis XIX 
+A12-B9 : G-C Ww/Ww pairing antiparallel cis XIX 
+A13-B8 : U-A Ww/Ww pairing antiparallel cis XX 
+A14-B7 : U-A Ww/Ww pairing antiparallel cis XX 
+B1-B19 : G-C Ww/Ww pairing antiparallel cis XIX 
+B2-B18 : C-G Ww/Ww pairing antiparallel cis XIX 
+B3-B17 : A-U Ww/Ww pairing antiparallel cis XX 
+B4-B16 : C-G Ww/Ww pairing antiparallel cis XIX 
+B5-B15 : C-G Ww/Ww pairing antiparallel cis XIX 
+B6-B14 : G-C Ww/Ww pairing antiparallel cis XIX 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : C C4p_exo anti
+A4 : A C3p_endo anti
+A5 : A C3p_endo anti
+A6 : C C4p_exo anti
+A7 : G C4p_exo anti
+A8 : G C3p_endo anti
+A9 : A C3p_endo anti
+A10 : U C3p_endo anti
+A11 : G C3p_endo anti
+A12 : G C3p_endo anti
+A13 : U C3p_endo anti
+A14 : U C4p_exo anti
+A15 : C C4p_exo anti
+A16 : G C3p_endo anti
+A17 : U C3p_endo anti
+A18 : U C3p_endo anti
+A19 : G C3p_endo anti
+A20 : C C3p_endo anti
+A21 : C C3p_endo anti
+B1 : G C3p_endo anti
+B2 : C C3p_endo anti
+B3 : A C3p_endo anti
+B4 : C C3p_endo anti
+B5 : C C3p_endo anti
+B6 : G C3p_endo anti
+B7 : A C4p_exo anti
+B8 : A C4p_exo anti
+B9 : C C3p_endo anti
+B10 : C C4p_exo anti
+B11 : A C3p_endo anti
+B12 : U C3p_endo anti
+B13 : C C3p_endo anti
+B14 : C C3p_endo anti
+B15 : G C3p_endo anti
+B16 : G C3p_endo anti
+B17 : U C3p_endo anti
+B18 : G C3p_endo anti
+B19 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+B2-B3 : adjacent_5p upward 
+B3-B4 : adjacent_5p upward 
+B5-B6 : adjacent_5p upward 
+B7-B8 : adjacent_5p upward 
+B8-B9 : adjacent_5p upward 
+B10-B11 : adjacent_5p upward 
+B11-B12 : adjacent_5p upward 
+B14-B15 : adjacent_5p upward 
+B15-B16 : adjacent_5p upward 
+B16-B17 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A5-A18 : outward 
+A7-A16 : outward 
+A7-B7 : upward 
+A8-B6 : downward 
+A9-B13 : outward 
+A12-B10 : outward 
+B5-B16 : outward 
+Number of stackings = 30
+Number of adjacent stackings = 23
+Number of non adjacent stackings = 7
+Base-pairs ------------------------------------------------------
+A1-A21 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A20 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A19 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-A18 : A-U Ww/Ww pairing antiparallel cis XX 
+A5-A17 : A-U Ww/Ww pairing antiparallel cis XX 
+A6-A16 : C-G Ww/Ww pairing antiparallel cis XIX 
+A7-A15 : G-C Ww/Ww pairing antiparallel cis XIX 
+A8-B13 : G-C Ww/Ww pairing antiparallel cis XIX 
+A9-B12 : A-U Ww/Ww pairing antiparallel cis XX 
+A10-B11 : U-A Ww/Ww pairing antiparallel cis XX 
+A11-B10 : G-C Ww/Ww pairing antiparallel cis XIX 
+A12-B9 : G-C Ww/Ww pairing antiparallel cis XIX 
+A13-B8 : U-A Ww/Ww pairing antiparallel cis XX 
+A14-B7 : U-A Ww/Ww pairing antiparallel cis XX 
+B1-B19 : G-C Ww/Ww pairing antiparallel cis XIX 
+B2-B18 : C-G Ww/Ww pairing antiparallel cis XIX 
+B3-B17 : A-U Ww/Ww pairing antiparallel cis XX 
+B4-B16 : C-G Ww/Ww pairing antiparallel cis XIX 
+B5-B15 : C-G Ww/Ww pairing antiparallel cis XIX 
+B6-B14 : G-C Ww/Ww pairing antiparallel cis XIX 
diff --git a/MCdata/1bmv_MC b/MCdata/1bmv_MC
new file mode 100644
index 0000000000000000000000000000000000000000..bff6d30edb7ce7ebb4fd6dceab06651308554936
--- /dev/null
+++ b/MCdata/1bmv_MC
@@ -0,0 +1,583 @@
+Residue conformations -------------------------------------------
+M1 : G C3p_endo anti
+M2 : G C3p_endo anti
+M3 : U C3p_endo anti
+M4 : C C3p_endo anti
+M5 : A C3p_endo anti
+M6 : A C3p_endo anti
+M7 : A C3p_endo anti
+M8 : A C3p_endo anti
+M9 : U C3p_endo anti
+M10 : G C3p_endo anti
+M11 : C C3p_endo anti
+'1'1001 : SER
+'1'1002 : ILE
+'1'1003 : SER
+'1'1004 : GLN
+'1'1005 : GLN
+'1'1006 : THR
+'1'1007 : VAL
+'1'1008 : TRP
+'1'1009 : ASN
+'1'1010 : GLN
+'1'1011 : MET
+'1'1012 : ALA
+'1'1013 : THR
+'1'1014 : VAL
+'1'1015 : ARG
+'1'1016 : THR
+'1'1017 : PRO
+'1'1018 : LEU
+'1'1019 : ASN
+'1'1020 : PHE
+'1'1021 : ASP
+'1'1022 : SER
+'1'1023 : SER
+'1'1024 : LYS
+'1'1025 : GLN
+'1'1026 : SER
+'1'1027 : PHE
+'1'1028 : CYS
+'1'1029 : GLN
+'1'1030 : PHE
+'1'1031 : SER
+'1'1032 : VAL
+'1'1033 : ASP
+'1'1034 : LEU
+'1'1035 : LEU
+'1'1036 : GLY
+'1'1037 : GLY
+'1'1038 : GLY
+'1'1039 : ILE
+'1'1040 : SER
+'1'1041 : VAL
+'1'1042 : ASP
+'1'1043 : LYS
+'1'1044 : THR
+'1'1045 : GLY
+'1'1046 : ASP
+'1'1047 : TRP
+'1'1048 : ILE
+'1'1049 : THR
+'1'1050 : LEU
+'1'1051 : VAL
+'1'1052 : GLN
+'1'1053 : ASN
+'1'1054 : SER
+'1'1055 : PRO
+'1'1056 : ILE
+'1'1057 : SER
+'1'1058 : ASN
+'1'1059 : LEU
+'1'1060 : LEU
+'1'1061 : ARG
+'1'1062 : VAL
+'1'1063 : ALA
+'1'1064 : ALA
+'1'1065 : TRP
+'1'1066 : LYS
+'1'1067 : LYS
+'1'1068 : GLY
+'1'1069 : CYS
+'1'1070 : LEU
+'1'1071 : MET
+'1'1072 : VAL
+'1'1073 : LYS
+'1'1074 : VAL
+'1'1075 : VAL
+'1'1076 : MET
+'1'1077 : SER
+'1'1078 : GLY
+'1'1079 : ASN
+'1'1080 : ALA
+'1'1081 : ALA
+'1'1082 : VAL
+'1'1083 : LYS
+'1'1084 : ARG
+'1'1085 : SER
+'1'1086 : ASP
+'1'1087 : TRP
+'1'1088 : ALA
+'1'1089 : SER
+'1'1090 : LEU
+'1'1091 : VAL
+'1'1092 : GLN
+'1'1093 : VAL
+'1'1094 : PHE
+'1'1095 : LEU
+'1'1096 : THR
+'1'1097 : ASN
+'1'1098 : SER
+'1'1099 : ASN
+'1'1100 : SER
+'1'1101 : THR
+'1'1102 : GLU
+'1'1103 : HIS
+'1'1104 : PHE
+'1'1105 : ASP
+'1'1106 : ALA
+'1'1107 : CYS
+'1'1108 : ARG
+'1'1109 : TRP
+'1'1110 : THR
+'1'1111 : LYS
+'1'1112 : SER
+'1'1113 : GLU
+'1'1114 : PRO
+'1'1115 : HIS
+'1'1116 : SER
+'1'1117 : TRP
+'1'1118 : GLU
+'1'1119 : LEU
+'1'1120 : ILE
+'1'1121 : PHE
+'1'1122 : PRO
+'1'1123 : ILE
+'1'1124 : GLU
+'1'1125 : VAL
+'1'1126 : CYS
+'1'1127 : GLY
+'1'1128 : PRO
+'1'1129 : ASN
+'1'1130 : ASN
+'1'1131 : GLY
+'1'1132 : PHE
+'1'1133 : GLU
+'1'1134 : MET
+'1'1135 : TRP
+'1'1136 : SER
+'1'1137 : SER
+'1'1138 : GLU
+'1'1139 : TRP
+'1'1140 : ALA
+'1'1141 : ASN
+'1'1142 : GLN
+'1'1143 : THR
+'1'1144 : SER
+'1'1145 : TRP
+'1'1146 : HIS
+'1'1147 : LEU
+'1'1148 : SER
+'1'1149 : PHE
+'1'1150 : LEU
+'1'1151 : VAL
+'1'1152 : ASP
+'1'1153 : ASN
+'1'1154 : PRO
+'1'1155 : LYS
+'1'1156 : GLN
+'1'1157 : SER
+'1'1158 : THR
+'1'1159 : THR
+'1'1160 : PHE
+'1'1161 : ASP
+'1'1162 : VAL
+'1'1163 : LEU
+'1'1164 : LEU
+'1'1165 : GLY
+'1'1166 : ILE
+'1'1167 : SER
+'1'1168 : GLN
+'1'1169 : ASN
+'1'1170 : PHE
+'1'1171 : GLU
+'1'1172 : ILE
+'1'1173 : ALA
+'1'1174 : GLY
+'1'1175 : ASN
+'1'1176 : THR
+'1'1177 : LEU
+'1'1178 : MET
+'1'1179 : PRO
+'1'1180 : ALA
+'1'1181 : PHE
+'1'1182 : SER
+'1'1183 : VAL
+'1'1184 : PRO
+'1'1185 : GLN
+'2'3001 : MET
+'2'3002 : GLU
+'2'3003 : THR
+'2'3004 : ASN
+'2'3005 : LEU
+'2'3006 : PHE
+'2'3007 : LYS
+'2'3008 : LEU
+'2'3009 : SER
+'2'3010 : LEU
+'2'3011 : ASP
+'2'3012 : ASP
+'2'3013 : VAL
+'2'3014 : GLU
+'2'3015 : THR
+'2'3016 : PRO
+'2'3017 : LYS
+'2'3018 : GLY
+'2'3019 : SER
+'2'3020 : MET
+'2'3021 : LEU
+'2'3022 : ASP
+'2'3023 : LEU
+'2'3024 : LYS
+'2'3025 : ILE
+'2'3026 : SER
+'2'3027 : GLN
+'2'3028 : SER
+'2'3029 : LYS
+'2'3030 : ILE
+'2'3031 : ALA
+'2'3032 : LEU
+'2'3033 : PRO
+'2'3034 : LYS
+'2'3035 : ASN
+'2'3036 : THR
+'2'3037 : VAL
+'2'3038 : GLY
+'2'3039 : GLY
+'2'3040 : THR
+'2'3041 : ILE
+'2'3042 : LEU
+'2'3043 : ARG
+'2'3044 : SER
+'2'3045 : ASP
+'2'3046 : LEU
+'2'3047 : LEU
+'2'3048 : ALA
+'2'3049 : ASN
+'2'3050 : PHE
+'2'3051 : LEU
+'2'3052 : THR
+'2'3053 : GLU
+'2'3054 : GLY
+'2'3055 : ASN
+'2'3056 : PHE
+'2'3057 : ARG
+'2'3058 : ALA
+'2'3059 : SER
+'2'3060 : VAL
+'2'3061 : ASP
+'2'3062 : LEU
+'2'3063 : GLN
+'2'3064 : ARG
+'2'3065 : THR
+'2'3066 : HIS
+'2'3067 : ARG
+'2'3068 : ILE
+'2'3069 : LYS
+'2'3070 : GLY
+'2'3071 : MET
+'2'3072 : ILE
+'2'3073 : LYS
+'2'3074 : MET
+'2'3075 : VAL
+'2'3076 : ALA
+'2'3077 : THR
+'2'3078 : VAL
+'2'3079 : GLY
+'2'3080 : ILE
+'2'3081 : PRO
+'2'3082 : GLU
+'2'3083 : ASN
+'2'3084 : THR
+'2'3085 : GLY
+'2'3086 : ILE
+'2'3087 : ALA
+'2'3088 : LEU
+'2'3089 : ALA
+'2'3090 : CYS
+'2'3091 : ALA
+'2'3092 : MET
+'2'3093 : ASN
+'2'3094 : SER
+'2'3095 : SER
+'2'3096 : ILE
+'2'3097 : ARG
+'2'3098 : GLY
+'2'3099 : ARG
+'2'3100 : ALA
+'2'3101 : SER
+'2'3102 : SER
+'2'3103 : ASP
+'2'3104 : ILE
+'2'3105 : TYR
+'2'3106 : THR
+'2'3107 : ILE
+'2'3108 : CYS
+'2'3109 : SER
+'2'3110 : GLN
+'2'3111 : ASP
+'2'3112 : CYS
+'2'3113 : GLU
+'2'3114 : LEU
+'2'3115 : TRP
+'2'3116 : ASN
+'2'3117 : PRO
+'2'3118 : ALA
+'2'3119 : CYS
+'2'3120 : THR
+'2'3121 : LYS
+'2'3122 : ALA
+'2'3123 : MET
+'2'3124 : THR
+'2'3125 : MET
+'2'3126 : SER
+'2'3127 : PHE
+'2'3128 : ASN
+'2'3129 : PRO
+'2'3130 : ASN
+'2'3131 : PRO
+'2'3132 : CYS
+'2'3133 : SER
+'2'3134 : ASP
+'2'3135 : ALA
+'2'3136 : TRP
+'2'3137 : SER
+'2'3138 : LEU
+'2'3139 : GLU
+'2'3140 : PHE
+'2'3141 : LEU
+'2'3142 : LYS
+'2'3143 : ARG
+'2'3144 : THR
+'2'3145 : GLY
+'2'3146 : PHE
+'2'3147 : HIS
+'2'3148 : CYS
+'2'3149 : ASP
+'2'3150 : ILE
+'2'3151 : ILE
+'2'3152 : CYS
+'2'3153 : VAL
+'2'3154 : THR
+'2'3155 : GLY
+'2'3156 : TRP
+'2'3157 : THR
+'2'3158 : ALA
+'2'3159 : THR
+'2'3160 : PRO
+'2'3161 : MET
+'2'3162 : GLN
+'2'3163 : ASP
+'2'3164 : VAL
+'2'3165 : GLN
+'2'3166 : VAL
+'2'3167 : THR
+'2'3168 : ILE
+'2'3169 : ASP
+'2'3170 : TRP
+'2'3171 : PHE
+'2'3172 : ILE
+'2'3173 : SER
+'2'3174 : SER
+'2'3175 : GLN
+'2'3176 : GLU
+'2'3177 : CYS
+'2'3178 : VAL
+'2'3179 : PRO
+'2'3180 : ARG
+'2'3181 : THR
+'2'3182 : TYR
+'2'2001 : CYS
+'2'2002 : VAL
+'2'2003 : LEU
+'2'2004 : ASN
+'2'2005 : PRO
+'2'2006 : GLN
+'2'2007 : ASN
+'2'2008 : PRO
+'2'2009 : PHE
+'2'2010 : VAL
+'2'2011 : LEU
+'2'2012 : ASN
+'2'2013 : ARG
+'2'2014 : TRP
+'2'2015 : MET
+'2'2016 : GLY
+'2'2017 : LYS
+'2'2018 : LEU
+'2'2019 : THR
+'2'2020 : PHE
+'2'2021 : PRO
+'2'2022 : GLN
+'2'2023 : GLY
+'2'2024 : THR
+'2'2025 : SER
+'2'2026 : ARG
+'2'2027 : SER
+'2'2028 : VAL
+'2'2029 : LYS
+'2'2030 : ARG
+'2'2031 : MET
+'2'2032 : PRO
+'2'2033 : LEU
+'2'2034 : SER
+'2'2035 : ILE
+'2'2036 : GLY
+'2'2037 : GLY
+'2'2038 : GLY
+'2'2039 : ALA
+'2'2040 : GLY
+'2'2041 : ALA
+'2'2042 : LYS
+'2'2043 : SER
+'2'2044 : ALA
+'2'2045 : ILE
+'2'2046 : LEU
+'2'2047 : MET
+'2'2048 : ASN
+'2'2049 : MET
+'2'2050 : PRO
+'2'2051 : ASN
+'2'2052 : ALA
+'2'2053 : VAL
+'2'2054 : LEU
+'2'2055 : SER
+'2'2056 : MET
+'2'2057 : TRP
+'2'2058 : ARG
+'2'2059 : TYR
+'2'2060 : PHE
+'2'2061 : VAL
+'2'2062 : GLY
+'2'2063 : ASP
+'2'2064 : LEU
+'2'2065 : VAL
+'2'2066 : PHE
+'2'2067 : GLU
+'2'2068 : VAL
+'2'2069 : SER
+'2'2070 : LYS
+'2'2071 : MET
+'2'2072 : THR
+'2'2073 : SER
+'2'2074 : PRO
+'2'2075 : TYR
+'2'2076 : ILE
+'2'2077 : LYS
+'2'2078 : CYS
+'2'2079 : THR
+'2'2080 : VAL
+'2'2081 : SER
+'2'2082 : PHE
+'2'2083 : PHE
+'2'2084 : ILE
+'2'2085 : ALA
+'2'2086 : PHE
+'2'2087 : GLY
+'2'2088 : ASN
+'2'2089 : LEU
+'2'2090 : ALA
+'2'2091 : ASP
+'2'2092 : ASP
+'2'2093 : THR
+'2'2094 : ILE
+'2'2095 : ASN
+'2'2096 : PHE
+'2'2097 : GLU
+'2'2098 : ALA
+'2'2099 : PHE
+'2'2100 : PRO
+'2'2101 : HIS
+'2'2102 : LYS
+'2'2103 : LEU
+'2'2104 : VAL
+'2'2105 : GLN
+'2'2106 : PHE
+'2'2107 : GLY
+'2'2108 : GLU
+'2'2109 : ILE
+'2'2110 : GLN
+'2'2111 : GLU
+'2'2112 : LYS
+'2'2113 : VAL
+'2'2114 : VAL
+'2'2115 : LEU
+'2'2116 : LYS
+'2'2117 : PHE
+'2'2118 : SER
+'2'2119 : GLN
+'2'2120 : GLU
+'2'2121 : GLU
+'2'2122 : PHE
+'2'2123 : LEU
+'2'2124 : THR
+'2'2125 : ALA
+'2'2126 : TRP
+'2'2127 : SER
+'2'2128 : THR
+'2'2129 : GLN
+'2'2130 : VAL
+'2'2131 : ARG
+'2'2132 : PRO
+'2'2133 : ALA
+'2'2134 : THR
+'2'2135 : THR
+'2'2136 : LEU
+'2'2137 : LEU
+'2'2138 : ALA
+'2'2139 : ASP
+'2'2140 : GLY
+'2'2141 : CYS
+'2'2142 : PRO
+'2'2143 : TYR
+'2'2144 : LEU
+'2'2145 : TYR
+'2'2146 : ALA
+'2'2147 : MET
+'2'2148 : VAL
+'2'2149 : HIS
+'2'2150 : ASP
+'2'2151 : SER
+'2'2152 : SER
+'2'2153 : VAL
+'2'2154 : SER
+'2'2155 : THR
+'2'2156 : ILE
+'2'2157 : PRO
+'2'2158 : GLY
+'2'2159 : ASP
+'2'2160 : PHE
+'2'2161 : VAL
+'2'2162 : ILE
+'2'2163 : GLY
+'2'2164 : VAL
+'2'2165 : LYS
+'2'2166 : LEU
+'2'2167 : THR
+'2'2168 : ILE
+'2'2169 : ILE
+'2'2170 : GLU
+'2'2171 : ASN
+'2'2172 : MET
+'2'2173 : CYS
+'2'2174 : ALA
+'2'2175 : TYR
+'2'2176 : GLY
+'2'2177 : LEU
+'2'2178 : ASN
+'2'2179 : PRO
+'2'2180 : GLY
+'2'2181 : ILE
+'2'2182 : SER
+'2'2183 : GLY
+'2'2184 : SER
+'2'2185 : ARG
+'2'2186 : LEU
+'2'2187 : LEU
+'2'2188 : GLY
+'2'2189 : THR
+'2'2190 : ILE
+'2'2191 : PRO
+'2'2192 : GLN
+Adjacent stackings ----------------------------------------------
+M1-M2 : adjacent_5p upward 
+M2-M3 : adjacent_5p upward 
+M3-M4 : adjacent_5p upward 
+M4-M5 : adjacent_5p upward 
+M5-M6 : adjacent_5p upward 
+M6-M7 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 6
+Number of adjacent stackings = 6
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
diff --git a/MCdata/1bn0_MC b/MCdata/1bn0_MC
new file mode 100644
index 0000000000000000000000000000000000000000..4d73b5ead7f912cce34d5deee2eeba10632c2f8e
--- /dev/null
+++ b/MCdata/1bn0_MC
@@ -0,0 +1,529 @@
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C2p_exo anti
+A3 : A C2p_exo anti
+A4 : C C3p_endo anti
+A5 : U C3p_endo anti
+A6 : A C3p_endo anti
+A7 : G C2p_exo anti
+A8 : C C3p_endo anti
+A9 : G C4p_exo anti
+A10 : G C2p_endo syn
+A11 : A O4p_endo syn
+A12 : G C2p_exo anti
+A13 : G C1p_endo anti
+A14 : C C3p_endo anti
+A15 : U C2p_exo anti
+A16 : A C4p_exo anti
+A17 : G C3p_endo anti
+A18 : U C2p_exo anti
+A19 : C C3p_endo anti
+A20 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A6-A16 : outward 
+Number of stackings = 11
+Number of adjacent stackings = 10
+Number of non adjacent stackings = 1
+Base-pairs ------------------------------------------------------
+A1-A20 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A19 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A18 : A-U Ww/Ww pairing antiparallel cis XX 
+A4-A17 : C-G Ww/Ww pairing antiparallel cis XIX 
+A5-A16 : U-A Ww/Ww pairing antiparallel cis one_hbond 
+A6-A15 : A-U Ww/Ww pairing antiparallel cis XX 
+A7-A14 : G-C Ww/Ww pairing antiparallel cis XIX 
+A8-A13 : C-G Ww/Ww pairing antiparallel cis XIX 
+A9-A11 : G-A Wh/Hw pairing parallel cis one_hbond 
+A11-A13 : A-G Ss/O2P pairing 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C2p_exo anti
+A3 : A C2p_exo anti
+A4 : C C3p_endo anti
+A5 : U C3p_endo anti
+A6 : A C3p_endo anti
+A7 : G C2p_exo anti
+A8 : C C3p_endo anti
+A9 : G C3p_endo anti
+A10 : G C3p_endo anti
+A11 : A C4p_endo syn
+A12 : G C2p_exo anti
+A13 : G C2p_exo anti
+A14 : C C3p_endo anti
+A15 : U C2p_exo anti
+A16 : A C4p_exo anti
+A17 : G C2p_exo anti
+A18 : U C1p_endo anti
+A19 : C C4p_exo anti
+A20 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 11
+Number of adjacent stackings = 11
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A1-A20 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A19 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A18 : A-U Ww/Ww pairing antiparallel cis XX 
+A4-A17 : C-G Ww/Ww pairing antiparallel cis XIX 
+A5-A16 : U-A Ww/Ww pairing antiparallel cis XX 
+A6-A15 : A-U Ww/Ww pairing antiparallel cis XX 
+A7-A14 : G-C Ww/Ww pairing antiparallel cis XIX 
+A8-A13 : C-G Ww/Ww pairing antiparallel cis XIX 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C2p_exo anti
+A3 : A C2p_exo anti
+A4 : C C3p_endo anti
+A5 : U C3p_endo anti
+A6 : A C3p_endo anti
+A7 : G C2p_exo anti
+A8 : C C3p_endo anti
+A9 : G C2p_exo anti
+A10 : G C3p_exo syn
+A11 : A O4p_endo syn
+A12 : G C4p_endo anti
+A13 : G C2p_exo anti
+A14 : C C3p_endo anti
+A15 : U C2p_exo anti
+A16 : A C4p_exo anti
+A17 : G C2p_exo anti
+A18 : U C2p_exo anti
+A19 : C C3p_endo anti
+A20 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 13
+Number of adjacent stackings = 13
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A1-A20 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A19 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A18 : A-U Ww/Ww pairing antiparallel cis XX 
+A4-A17 : C-G Ww/Ww pairing antiparallel cis XIX 
+A5-A16 : U-A Ww/Ww pairing antiparallel cis XX 
+A6-A15 : A-U Ww/Ww pairing antiparallel cis XX 
+A7-A14 : G-C Ww/Ww pairing antiparallel cis XIX 
+A8-A13 : C-G Ww/Ww pairing antiparallel cis XIX 
+A10-A11 : G-A O2'/Hh adjacent_5p pairing 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C2p_exo anti
+A3 : A C2p_exo anti
+A4 : C C3p_endo anti
+A5 : U C3p_endo anti
+A6 : A C3p_endo anti
+A7 : G C2p_exo anti
+A8 : C C3p_endo anti
+A9 : G C2p_exo anti
+A10 : G C4p_exo anti
+A11 : A C2p_endo syn
+A12 : G O4p_exo anti
+A13 : G C2p_exo anti
+A14 : C C3p_endo anti
+A15 : U C2p_exo anti
+A16 : A C4p_exo anti
+A17 : G C2p_exo anti
+A18 : U C2p_exo anti
+A19 : C C3p_endo anti
+A20 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A6-A16 : outward 
+Number of stackings = 14
+Number of adjacent stackings = 13
+Number of non adjacent stackings = 1
+Base-pairs ------------------------------------------------------
+A1-A20 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A19 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A18 : A-U Ww/Ww pairing antiparallel cis XX 
+A4-A17 : C-G Ww/Ww pairing antiparallel cis XIX 
+A5-A16 : U-A Ww/Ww pairing antiparallel cis XX 
+A6-A15 : A-U Ww/Ww pairing antiparallel cis XX 
+A7-A14 : G-C Ww/Ww pairing antiparallel cis XIX 
+A8-A13 : C-G Ww/Ww pairing antiparallel cis XIX 
+Residue conformations -------------------------------------------
+A1 : G C2p_exo anti
+A2 : G C3p_endo anti
+A3 : A C2p_exo anti
+A4 : C C3p_endo anti
+A5 : U C3p_endo anti
+A6 : A C3p_endo anti
+A7 : G C2p_exo anti
+A8 : C C3p_endo anti
+A9 : G C1p_endo anti
+A10 : G C2p_endo syn
+A11 : A O4p_exo syn
+A12 : G C2p_exo anti
+A13 : G C2p_exo anti
+A14 : C C3p_endo anti
+A15 : U C2p_endo anti
+A16 : A C4p_exo anti
+A17 : G C3p_endo anti
+A18 : U C2p_exo anti
+A19 : C C1p_exo anti
+A20 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 11
+Number of adjacent stackings = 11
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A1-A20 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A19 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A18 : A-U Ww/Ww pairing antiparallel cis XX 
+A4-A17 : C-G Ww/Ww pairing antiparallel cis XIX 
+A5-A16 : U-A Ww/Ww pairing antiparallel cis XX 
+A6-A15 : A-U Ww/Ww pairing antiparallel cis XX 
+A7-A14 : G-C Ww/Ww pairing antiparallel cis XIX 
+A8-A13 : C-G Ww/Ww pairing antiparallel cis XIX 
+A9-A10 : G-G O2'/Ss adjacent_5p pairing 
+A10-A11 : G-A O2'/Hh adjacent_5p pairing 
+Residue conformations -------------------------------------------
+A1 : G C2p_exo anti
+A2 : G C2p_exo anti
+A3 : A C2p_exo anti
+A4 : C C3p_endo anti
+A5 : U C3p_endo anti
+A6 : A C2p_endo anti
+A7 : G C2p_endo syn
+A8 : C C2p_exo anti
+A9 : G C2p_exo anti
+A10 : G C2p_endo syn
+A11 : A C2p_endo syn
+A12 : G C2p_exo anti
+A13 : G C2p_exo anti
+A14 : C C3p_endo anti
+A15 : U C2p_endo anti
+A16 : A C4p_exo anti
+A17 : G C3p_endo anti
+A18 : U C2p_exo anti
+A19 : C C1p_exo anti
+A20 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward pairing 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A6-A16 : outward 
+Number of stackings = 11
+Number of adjacent stackings = 10
+Number of non adjacent stackings = 1
+Base-pairs ------------------------------------------------------
+A1-A20 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A19 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A18 : A-U Ww/Ww pairing antiparallel cis XX 
+A4-A17 : C-G Ww/Ww pairing antiparallel cis XIX 
+A5-A16 : U-A Ww/Ww pairing antiparallel cis XX 
+A6-A7 : A-G O2'/C8 adjacent_5p upward pairing 
+A6-A15 : A-U Ww/Ww pairing antiparallel cis XX 
+A7-A14 : G-C Ww/Ww pairing antiparallel cis XIX 
+A8-A13 : C-G Ww/Ww pairing antiparallel cis XIX 
+A10-A11 : G-A O2'/Hh adjacent_5p pairing 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C2p_exo anti
+A3 : A C2p_exo anti
+A4 : C C3p_endo anti
+A5 : U C3p_endo anti
+A6 : A C3p_endo anti
+A7 : G C2p_exo anti
+A8 : C C3p_endo anti
+A9 : G C2p_exo anti
+A10 : G C4p_exo anti
+A11 : A C2p_endo syn
+A12 : G O4p_exo anti
+A13 : G C2p_exo anti
+A14 : C C3p_endo anti
+A15 : U C2p_endo anti
+A16 : A C4p_exo anti
+A17 : G C3p_endo anti
+A18 : U C2p_exo anti
+A19 : C C1p_exo anti
+A20 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A9-A11 : inward 
+Number of stackings = 14
+Number of adjacent stackings = 13
+Number of non adjacent stackings = 1
+Base-pairs ------------------------------------------------------
+A1-A20 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A19 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A18 : A-U Ww/Ww pairing antiparallel cis XX 
+A4-A17 : C-G Ww/Ww pairing antiparallel cis XIX 
+A5-A16 : U-A Ww/Ww pairing antiparallel cis XX 
+A6-A15 : A-U Ww/Ww pairing antiparallel cis XX 
+A7-A14 : G-C Ww/Ww pairing antiparallel cis XIX 
+A8-A13 : C-G Ww/Ww pairing antiparallel cis XIX 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : A C2p_exo anti
+A4 : C C3p_endo anti
+A5 : U C3p_endo anti
+A6 : A C3p_endo anti
+A7 : G C2p_exo anti
+A8 : C C3p_endo anti
+A9 : G C3p_endo anti
+A10 : G C2p_endo syn
+A11 : A O4p_endo anti
+A12 : G C4p_endo anti
+A13 : G C2p_exo anti
+A14 : C C2p_exo anti
+A15 : U C2p_endo anti
+A16 : A C4p_exo anti
+A17 : G C2p_exo anti
+A18 : U O4p_exo anti
+A19 : C C4p_exo anti
+A20 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A6-A16 : outward 
+Number of stackings = 12
+Number of adjacent stackings = 11
+Number of non adjacent stackings = 1
+Base-pairs ------------------------------------------------------
+A1-A20 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A19 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A18 : A-U Ww/Ww pairing antiparallel cis XX 
+A4-A17 : C-G Ww/Ww pairing antiparallel cis XIX 
+A5-A16 : U-A Ww/Ww pairing antiparallel cis XX 
+A6-A15 : A-U Ww/Ww pairing antiparallel cis XX 
+A7-A14 : G-C Ww/Ww pairing antiparallel cis XIX 
+A8-A13 : C-G Ww/Ww pairing antiparallel cis XIX 
+A9-A10 : G-G O2'/Ss adjacent_5p pairing 
+A10-A11 : G-A O2'/Hh adjacent_5p pairing 
+Residue conformations -------------------------------------------
+A1 : G C1p_endo anti
+A2 : G C3p_endo anti
+A3 : A C2p_exo anti
+A4 : C C3p_endo anti
+A5 : U C3p_endo anti
+A6 : A C3p_endo anti
+A7 : G C2p_exo anti
+A8 : C C3p_endo anti
+A9 : G C3p_endo anti
+A10 : G C3p_exo syn
+A11 : A C2p_endo anti
+A12 : G C4p_endo anti
+A13 : G C2p_exo anti
+A14 : C C2p_exo anti
+A15 : U C2p_endo anti
+A16 : A C4p_exo anti
+A17 : G C2p_exo anti
+A18 : U C2p_exo anti
+A19 : C C2p_endo anti
+A20 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 12
+Number of adjacent stackings = 12
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A1-A20 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A19 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A18 : A-U Ww/Ww pairing antiparallel cis XX 
+A4-A17 : C-G Ww/Ww pairing antiparallel cis XIX 
+A5-A16 : U-A Ww/Ww pairing antiparallel cis XX 
+A6-A15 : A-U Ww/Ww pairing antiparallel cis XX 
+A7-A14 : G-C Ww/Ww pairing antiparallel cis XIX 
+A8-A13 : C-G Ww/Ww pairing antiparallel cis XIX 
+A10-A11 : G-A O2'/C8 adjacent_5p pairing 
+A11-A12 : A-G Ss/O2P adjacent_5p pairing 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : A C2p_exo anti
+A4 : C C3p_endo anti
+A5 : U C3p_endo anti
+A6 : A C3p_endo anti
+A7 : G C2p_exo anti
+A8 : C C3p_endo anti
+A9 : G C1p_endo anti
+A10 : G C3p_exo syn
+A11 : A O4p_endo anti
+A12 : G C4p_endo anti
+A13 : G C2p_exo anti
+A14 : C C2p_exo anti
+A15 : U C2p_endo anti
+A16 : A C4p_exo anti
+A17 : G C2p_exo anti
+A18 : U C2p_exo anti
+A19 : C C4p_exo anti
+A20 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 11
+Number of adjacent stackings = 11
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A1-A20 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A19 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A18 : A-U Ww/Ww pairing antiparallel cis XX 
+A4-A17 : C-G Ww/Ww pairing antiparallel cis XIX 
+A5-A16 : U-A Ww/Ww pairing antiparallel cis XX 
+A6-A15 : A-U Ww/Ww pairing antiparallel cis XX 
+A7-A14 : G-C Ww/Ww pairing antiparallel cis XIX 
+A8-A13 : C-G Ww/Ww pairing antiparallel cis XIX 
+A9-A10 : G-G O2'/Hh adjacent_5p pairing 
+Residue conformations -------------------------------------------
+A1 : G C2p_exo anti
+A2 : G C3p_endo anti
+A3 : A C2p_exo anti
+A4 : C C3p_endo anti
+A5 : U C3p_endo anti
+A6 : A C3p_endo anti
+A7 : G C2p_exo anti
+A8 : C C3p_endo anti
+A9 : G C1p_endo anti
+A10 : G C2p_endo syn
+A11 : A C1p_exo syn
+A12 : G C4p_endo anti
+A13 : G C2p_exo anti
+A14 : C C3p_endo anti
+A15 : U C2p_endo anti
+A16 : A C4p_exo anti
+A17 : G C3p_endo anti
+A18 : U C2p_exo anti
+A19 : C C1p_exo anti
+A20 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A6-A16 : outward 
+Number of stackings = 11
+Number of adjacent stackings = 10
+Number of non adjacent stackings = 1
+Base-pairs ------------------------------------------------------
+A1-A20 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A19 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A18 : A-U Ww/Ww pairing antiparallel cis XX 
+A4-A17 : C-G Ww/Ww pairing antiparallel cis XIX 
+A5-A16 : U-A Ww/Ww pairing antiparallel cis XX 
+A6-A15 : A-U Ww/Ww pairing antiparallel cis XX 
+A7-A14 : G-C Ww/Ww pairing antiparallel cis XIX 
+A8-A13 : C-G Ww/Ww pairing antiparallel cis XIX 
+A10-A11 : G-A O2'/C8 adjacent_5p pairing 
diff --git a/MCdata/1br3_MC b/MCdata/1br3_MC
new file mode 100644
index 0000000000000000000000000000000000000000..04ceee959f8a6de5ed8b284bf45c76b0927c6e10
--- /dev/null
+++ b/MCdata/1br3_MC
@@ -0,0 +1,85 @@
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : A C3p_endo anti
+A4 : C C3p_endo anti
+A5 : A C2p_exo anti
+A6 : G C3p_endo anti
+A7 : A C3p_endo anti
+A8 : U C3p_endo anti
+A9 : G C3p_endo anti
+A10 : G C3p_endo anti
+A11 : G C3p_endo anti
+A12 : A C3p_endo anti
+A13 : G C3p_endo anti
+B14 : G C3p_endo anti
+B15 : C C3p_endo anti
+B16 : T C3p_endo anti
+B17 : C C3p_endo anti
+B18 : C C3p_endo anti
+B19 : C C4p_exo anti
+B20 : A O4p_endo anti
+B21 : G C2p_endo anti
+B22 : G C3p_endo anti
+B23 : C C4p_exo anti
+B24 : T C2p_endo anti
+B25 : A C3p_exo anti
+B26 : G C2p_endo anti
+B27 : C C4p_exo anti
+B28 : T C2p_endo anti
+B29 : A C3p_exo syn
+B30 : C C1p_exo anti
+B31 : A C1p_exo anti
+B32 : A C1p_exo syn
+B33 : C C2p_endo anti
+B34 : G C2p_endo anti
+B35 : A C2p_endo anti
+B36 : C C2p_exo anti
+B37 : T C3p_endo anti
+B38 : G C3p_endo anti
+B39 : T C3p_endo anti
+B40 : C C3p_endo anti
+B41 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+B14-B15 : adjacent_5p upward 
+B16-B17 : adjacent_5p upward 
+B18-B19 : adjacent_5p upward 
+B19-B20 : adjacent_5p upward 
+B20-B21 : adjacent_5p upward 
+B22-B23 : adjacent_5p upward 
+B24-B25 : adjacent_5p upward 
+B25-B26 : adjacent_5p upward 
+B26-B27 : adjacent_5p upward 
+B27-B28 : adjacent_5p upward 
+B31-B32 : adjacent_5p inward 
+B33-B34 : adjacent_5p upward 
+B34-B35 : adjacent_5p upward 
+B38-B39 : adjacent_5p upward 
+B39-B40 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A5-B38 : outward 
+B29-B31 : upward 
+Number of stackings = 28
+Number of adjacent stackings = 26
+Number of non adjacent stackings = 2
+Base-pairs ------------------------------------------------------
+A1-B41 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-B40 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-B39 : A-T Ww/Ww pairing antiparallel cis 
+A4-B38 : C-G Ww/Ww pairing antiparallel cis XIX 
+A5-B37 : A-T Ww/Ws pairing antiparallel cis 
+A6-B36 : G-C Ww/Ww pairing antiparallel cis XIX 
+B28-B29 : T-A O2P/Bh adjacent_5p pairing 
+B28-B35 : T-A Ww/Ww pairing antiparallel cis 
+B29-B33 : A-C Ss/Hw pairing antiparallel trans one_hbond 72 
diff --git a/MCdata/1bvj_MC b/MCdata/1bvj_MC
new file mode 100644
index 0000000000000000000000000000000000000000..e2085e96f350a674ac02f428bf3e5085687d5ccf
--- /dev/null
+++ b/MCdata/1bvj_MC
@@ -0,0 +1,1303 @@
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : C C3p_endo anti
+A4 : G C3p_endo anti
+A5 : A C3p_exo anti
+A6 : C C2p_endo anti
+A7 : G C4p_exo anti
+A8 : G C4p_exo anti
+A9 : U C3p_endo anti
+A10 : G C2p_exo anti
+A11 : U C3p_endo anti
+A12 : A C2p_exo anti
+A13 : A C3p_endo anti
+A14 : A C2p_exo anti
+A15 : A C3p_endo anti
+A16 : A C3p_endo anti
+A17 : U C3p_endo anti
+A18 : C C3p_endo anti
+A19 : U C3p_endo anti
+A20 : C C3p_endo anti
+A21 : G C3p_endo anti
+A22 : C C3p_endo anti
+A23 : C C2p_exo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward pairing 
+A16-A17 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+A21-A22 : adjacent_5p upward 
+A22-A23 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-A21 : outward 
+A5-A7 : upward 
+Number of stackings = 19
+Number of adjacent stackings = 17
+Number of non adjacent stackings = 2
+Base-pairs ------------------------------------------------------
+A1-A23 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A22 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A21 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-A20 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-A19 : A-U Ww/Ww pairing antiparallel cis XX 
+A6-A14 : C-A Ww/O2P pairing 
+A7-A18 : G-C Ww/Ww pairing antiparallel cis XIX 
+A8-A17 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+A9-A16 : U-A Ww/Ww pairing antiparallel cis XX 
+A10-A14 : G-A Ww/O2P pairing 
+A10-A15 : G-A Ss/Hh pairing antiparallel trans XI 
+A11-A13 : U-A O2'/Hh Ww/O2P pairing 
+A11-A14 : U-A O2'/Bh Ww/O2P pairing 
+A15-A16 : A-A O2P/Hh adjacent_5p upward pairing 
+Residue conformations -------------------------------------------
+A1 : G C4p_exo anti
+A2 : G C3p_endo anti
+A3 : C C3p_endo anti
+A4 : G C3p_endo anti
+A5 : A C2p_endo anti
+A6 : C C4p_exo anti
+A7 : G C4p_exo anti
+A8 : G C4p_exo anti
+A9 : U C3p_endo anti
+A10 : G C2p_exo anti
+A11 : U C4p_exo anti
+A12 : A C3p_endo anti
+A13 : A C3p_endo anti
+A14 : A C2p_exo anti
+A15 : A C3p_endo anti
+A16 : A C3p_endo anti
+A17 : U C3p_endo anti
+A18 : C C2p_exo anti
+A19 : U C3p_endo anti
+A20 : C C3p_endo anti
+A21 : G C3p_endo anti
+A22 : C C3p_endo anti
+A23 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward pairing 
+A16-A17 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+A21-A22 : adjacent_5p upward 
+A22-A23 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-A21 : outward 
+A5-A7 : upward 
+A8-A18 : outward 
+Number of stackings = 19
+Number of adjacent stackings = 16
+Number of non adjacent stackings = 3
+Base-pairs ------------------------------------------------------
+A1-A23 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A22 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A21 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-A20 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-A6 : A-C O2'/Hh adjacent_5p pairing 
+A5-A19 : A-U Ww/Ww pairing antiparallel cis XX 
+A6-A20 : C-C Hw/Ss Bh/O2' pairing parallel trans one_hbond 
+A7-A18 : G-C Ww/Ww pairing antiparallel cis XIX 
+A8-A17 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+A9-A16 : U-A Ww/Ww pairing antiparallel cis XX 
+A10-A14 : G-A Ww/O2P pairing 
+A10-A15 : G-A Ss/Hh O2'/Bh pairing antiparallel trans XI 
+A11-A13 : U-A O2'/Hh Ww/O2P pairing 
+A11-A14 : U-A Ww/O2P pairing 
+A15-A16 : A-A O2P/Hh adjacent_5p upward pairing 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : C C3p_endo anti
+A4 : G C3p_endo anti
+A5 : A C4p_exo anti
+A6 : C C2p_endo anti
+A7 : G C4p_exo anti
+A8 : G C4p_exo anti
+A9 : U C3p_endo anti
+A10 : G C2p_exo anti
+A11 : U C3p_endo anti
+A12 : A C2p_exo anti
+A13 : A C3p_endo anti
+A14 : A C1p_endo anti
+A15 : A O4p_endo anti
+A16 : A C4p_exo anti
+A17 : U C4p_exo anti
+A18 : C C3p_endo anti
+A19 : U C3p_endo anti
+A20 : C C3p_endo anti
+A21 : G C3p_endo anti
+A22 : C C3p_endo anti
+A23 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+A21-A22 : adjacent_5p upward 
+A22-A23 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-A21 : outward 
+A5-A7 : upward 
+A8-A18 : outward 
+Number of stackings = 19
+Number of adjacent stackings = 16
+Number of non adjacent stackings = 3
+Base-pairs ------------------------------------------------------
+A1-A23 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A22 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A21 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-A20 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-A19 : A-U Ww/Ww pairing antiparallel cis XX 
+A7-A18 : G-C Ww/Ww pairing antiparallel cis XIX 
+A8-A17 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+A9-A16 : U-A Ww/Ww pairing antiparallel cis XX 
+A10-A15 : G-A O2'/Bh pairing 
+A11-A13 : U-A O2'/Hh pairing 
+A11-A14 : U-A Ww/O2P pairing 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : C C3p_endo anti
+A4 : G C3p_endo anti
+A5 : A C3p_exo anti
+A6 : C C2p_endo anti
+A7 : G C4p_exo anti
+A8 : G C3p_endo anti
+A9 : U C3p_endo anti
+A10 : G C2p_exo anti
+A11 : U C3p_endo anti
+A12 : A C4p_endo anti
+A13 : A C3p_endo anti
+A14 : A C2p_exo anti
+A15 : A C3p_endo anti
+A16 : A O4p_endo anti
+A17 : U C4p_exo anti
+A18 : C C2p_exo anti
+A19 : U C3p_endo anti
+A20 : C C3p_endo anti
+A21 : G C3p_endo anti
+A22 : C C3p_endo anti
+A23 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward pairing 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+A21-A22 : adjacent_5p upward 
+A22-A23 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-A21 : outward 
+A5-A7 : upward 
+A10-A16 : outward 
+Number of stackings = 19
+Number of adjacent stackings = 16
+Number of non adjacent stackings = 3
+Base-pairs ------------------------------------------------------
+A1-A23 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A22 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A21 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-A20 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-A19 : A-U Ww/Ww pairing antiparallel cis XX 
+A6-A14 : C-A Bh/O2P pairing 
+A7-A18 : G-C Ww/Ww pairing antiparallel cis XIX 
+A8-A17 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+A9-A16 : U-A Ww/Ww pairing antiparallel cis XX 
+A10-A15 : G-A Ws/Hh pairing antiparallel trans one_hbond 54 
+A11-A13 : U-A O2'/Hh pairing 
+A11-A14 : U-A O2'/Bh Ww/O2P pairing 
+A12-A13 : A-A O2P/Hh adjacent_5p upward pairing 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : C C3p_endo anti
+A4 : G C4p_exo anti
+A5 : A C4p_exo anti
+A6 : C C4p_exo anti
+A7 : G C4p_exo anti
+A8 : G C4p_exo anti
+A9 : U C3p_endo anti
+A10 : G C2p_exo anti
+A11 : U C3p_endo anti
+A12 : A O4p_exo anti
+A13 : A C3p_endo anti
+A14 : A C2p_exo anti
+A15 : A C1p_endo anti
+A16 : A O4p_endo anti
+A17 : U C4p_exo anti
+A18 : C C3p_endo anti
+A19 : U C3p_endo anti
+A20 : C C3p_endo anti
+A21 : G C2p_exo anti
+A22 : C C3p_endo anti
+A23 : C C2p_exo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+A21-A22 : adjacent_5p upward 
+A22-A23 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-A21 : outward 
+A5-A7 : upward 
+A8-A18 : outward 
+Number of stackings = 20
+Number of adjacent stackings = 17
+Number of non adjacent stackings = 3
+Base-pairs ------------------------------------------------------
+A1-A23 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A22 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A21 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-A20 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-A6 : A-C O2'/Hh adjacent_5p pairing 
+A5-A19 : A-U Ww/Ww pairing antiparallel cis XX 
+A7-A18 : G-C Ww/Ww pairing antiparallel cis XIX 
+A8-A17 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+A9-A16 : U-A Ww/Ww pairing antiparallel cis XX 
+A10-A14 : G-A Ww/O2P pairing 
+A10-A15 : G-A Ss/Hh pairing antiparallel trans one_hbond 
+A11-A13 : U-A O2'/Hh pairing 
+A11-A14 : U-A Ww/O2P pairing 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : C C3p_endo anti
+A4 : G C3p_endo anti
+A5 : A C4p_exo anti
+A6 : C C3p_endo anti
+A7 : G C4p_exo anti
+A8 : G C4p_exo anti
+A9 : U C2p_exo anti
+A10 : G C2p_exo anti
+A11 : U C3p_endo anti
+A12 : A C1p_endo anti
+A13 : A C3p_endo anti
+A14 : A C3p_exo anti
+A15 : A C4p_exo anti
+A16 : A O4p_endo anti
+A17 : U C4p_exo anti
+A18 : C C3p_endo anti
+A19 : U C3p_endo anti
+A20 : C C3p_endo anti
+A21 : G C3p_endo anti
+A22 : C C3p_endo anti
+A23 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+A21-A22 : adjacent_5p upward 
+A22-A23 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-A21 : outward 
+A5-A7 : upward 
+A10-A16 : outward 
+Number of stackings = 20
+Number of adjacent stackings = 17
+Number of non adjacent stackings = 3
+Base-pairs ------------------------------------------------------
+A1-A23 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A22 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A21 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-A20 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-A19 : A-U Ww/Ww pairing antiparallel cis XX 
+A7-A18 : G-C Ww/Ww pairing antiparallel cis XIX 
+A8-A17 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+A9-A16 : U-A Ww/Ww pairing antiparallel cis XX 
+A10-A14 : G-A Ww/O2P pairing 
+A10-A15 : G-A Sw/Hh pairing antiparallel trans one_hbond 
+A11-A13 : U-A O2'/Bh O2'/Hh pairing 
+A11-A14 : U-A O2'/Bh Ww/O2P pairing 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C2p_exo anti
+A3 : C C3p_endo anti
+A4 : G C3p_endo anti
+A5 : A C4p_exo anti
+A6 : C C2p_endo anti
+A7 : G C3p_endo anti
+A8 : G C3p_endo anti
+A9 : U C3p_endo anti
+A10 : G C2p_exo anti
+A11 : U C3p_endo anti
+A12 : A C3p_endo anti
+A13 : A C3p_endo anti
+A14 : A C3p_exo anti
+A15 : A C3p_endo anti
+A16 : A O4p_endo anti
+A17 : U C4p_exo anti
+A18 : C C3p_endo anti
+A19 : U C3p_endo anti
+A20 : C C3p_endo anti
+A21 : G C3p_endo anti
+A22 : C C3p_endo anti
+A23 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+A21-A22 : adjacent_5p upward 
+A22-A23 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-A21 : outward 
+A5-A7 : upward 
+A10-A16 : outward 
+Number of stackings = 18
+Number of adjacent stackings = 15
+Number of non adjacent stackings = 3
+Base-pairs ------------------------------------------------------
+A1-A23 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A22 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A21 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-A20 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-A19 : A-U Ww/Ww pairing antiparallel cis XX 
+A7-A18 : G-C Ww/Ww pairing antiparallel cis XIX 
+A8-A17 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+A9-A16 : U-A Ww/Ww pairing antiparallel cis XX 
+A10-A15 : G-A Ss/Hh pairing antiparallel trans XI 
+A11-A13 : U-A O2'/Hh Ww/O2P pairing 
+A11-A14 : U-A Ww/O2P pairing 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : C C3p_endo anti
+A4 : G C3p_endo anti
+A5 : A C1p_exo anti
+A6 : C C2p_endo anti
+A7 : G C4p_exo anti
+A8 : G C4p_exo anti
+A9 : U C3p_endo anti
+A10 : G C2p_exo anti
+A11 : U C3p_endo anti
+A12 : A C4p_endo anti
+A13 : A C3p_endo anti
+A14 : A C3p_exo anti
+A15 : A C4p_exo anti
+A16 : A C3p_endo anti
+A17 : U C3p_endo anti
+A18 : C C2p_exo anti
+A19 : U C3p_endo anti
+A20 : C C3p_endo anti
+A21 : G C3p_endo anti
+A22 : C C3p_endo anti
+A23 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+A21-A22 : adjacent_5p upward 
+A22-A23 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-A21 : outward 
+A5-A7 : upward 
+A8-A18 : outward 
+Number of stackings = 18
+Number of adjacent stackings = 15
+Number of non adjacent stackings = 3
+Base-pairs ------------------------------------------------------
+A1-A23 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A22 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A21 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-A20 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-A19 : A-U Ww/Ww pairing antiparallel cis XX 
+A6-A14 : C-A Bh/O2P pairing 
+A7-A18 : G-C Ww/Ww pairing antiparallel cis XIX 
+A8-A17 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+A9-A16 : U-A Ww/Ww pairing antiparallel cis XX 
+A10-A14 : G-A O2'/Bh pairing 
+A10-A15 : G-A Sw/Hh pairing antiparallel trans one_hbond 
+A11-A12 : U-A O2'/Hh adjacent_5p pairing 
+A11-A13 : U-A O2'/Hh pairing 
+A11-A14 : U-A Ww/O2P pairing 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : C C3p_endo anti
+A4 : G C3p_endo anti
+A5 : A C2p_endo anti
+A6 : C C2p_endo anti
+A7 : G C4p_exo anti
+A8 : G C4p_exo anti
+A9 : U C3p_endo anti
+A10 : G C1p_endo anti
+A11 : U C3p_endo anti
+A12 : A C3p_endo anti
+A13 : A C3p_endo anti
+A14 : A C2p_exo anti
+A15 : A C3p_endo anti
+A16 : A C3p_endo anti
+A17 : U C3p_endo anti
+A18 : C C3p_endo anti
+A19 : U C3p_endo anti
+A20 : C C4p_exo anti
+A21 : G C3p_endo anti
+A22 : C C3p_endo anti
+A23 : C C2p_exo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward pairing 
+A16-A17 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+A21-A22 : adjacent_5p upward 
+A22-A23 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-A21 : outward 
+A5-A7 : upward 
+A8-A18 : outward 
+Number of stackings = 19
+Number of adjacent stackings = 16
+Number of non adjacent stackings = 3
+Base-pairs ------------------------------------------------------
+A1-A23 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A22 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A21 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-A20 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-A19 : A-U Ww/Ww pairing antiparallel cis XX 
+A6-A14 : C-A Ww/O2P Bh/O2P pairing 
+A7-A18 : G-C Ww/Ww pairing antiparallel cis XIX 
+A8-A17 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+A9-A16 : U-A Ww/Ww pairing antiparallel cis XX 
+A10-A14 : G-A Ww/O2P pairing 
+A10-A15 : G-A Ss/Hh pairing antiparallel trans XI 
+A11-A13 : U-A O2'/Hh Ww/O2P pairing 
+A11-A14 : U-A Ww/O2P pairing 
+A15-A16 : A-A O2P/Hh adjacent_5p upward pairing 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : C C3p_endo anti
+A4 : G C3p_endo anti
+A5 : A C4p_exo anti
+A6 : C C4p_exo anti
+A7 : G C4p_exo anti
+A8 : G C4p_exo anti
+A9 : U C3p_endo anti
+A10 : G C2p_exo anti
+A11 : U C3p_endo anti
+A12 : A C1p_exo anti
+A13 : A C2p_endo anti
+A14 : A C3p_endo anti
+A15 : A C2p_exo anti
+A16 : A C3p_endo anti
+A17 : U C3p_endo anti
+A18 : C C3p_endo anti
+A19 : U C3p_endo anti
+A20 : C C3p_endo anti
+A21 : G C3p_endo anti
+A22 : C C3p_endo anti
+A23 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+A21-A22 : adjacent_5p upward 
+A22-A23 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-A21 : outward 
+A5-A7 : upward 
+A8-A18 : outward 
+Number of stackings = 21
+Number of adjacent stackings = 18
+Number of non adjacent stackings = 3
+Base-pairs ------------------------------------------------------
+A1-A23 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A22 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A21 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-A20 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-A6 : A-C O2'/Hh adjacent_5p pairing 
+A5-A19 : A-U Ww/Ww pairing antiparallel cis XX 
+A6-A7 : C-G O2P/Hh adjacent_5p pairing 
+A7-A18 : G-C Ww/Ww pairing antiparallel cis XIX 
+A8-A17 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+A9-A16 : U-A Ww/Ww pairing antiparallel cis XX 
+A11-A13 : U-A O2'/Hh pairing 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : C C3p_endo anti
+A4 : G C3p_endo anti
+A5 : A O4p_endo anti
+A6 : C C2p_endo anti
+A7 : G C4p_exo anti
+A8 : G C4p_exo anti
+A9 : U C4p_exo anti
+A10 : G C2p_exo anti
+A11 : U C4p_exo anti
+A12 : A C3p_endo anti
+A13 : A C3p_endo anti
+A14 : A C2p_exo anti
+A15 : A C3p_endo anti
+A16 : A C3p_endo anti
+A17 : U C4p_exo anti
+A18 : C C3p_endo anti
+A19 : U C3p_endo anti
+A20 : C C4p_exo anti
+A21 : G C3p_endo anti
+A22 : C C3p_endo anti
+A23 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+A21-A22 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-A21 : outward 
+A5-A7 : upward 
+A8-A18 : outward 
+Number of stackings = 19
+Number of adjacent stackings = 16
+Number of non adjacent stackings = 3
+Base-pairs ------------------------------------------------------
+A1-A23 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A22 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A21 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-A20 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-A19 : A-U Ww/Ww pairing antiparallel cis XX 
+A6-A14 : C-A Bh/O2P pairing 
+A7-A18 : G-C Ww/Ww pairing antiparallel cis XIX 
+A8-A17 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+A9-A15 : U-A Ws/Wh pairing antiparallel trans one_hbond 46 
+A9-A16 : U-A Ww/Ww pairing antiparallel cis XX 
+A11-A13 : U-A O2'/Hh pairing 
+A11-A14 : U-A Ww/O2P pairing 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : C C3p_endo anti
+A4 : G C3p_endo anti
+A5 : A C3p_endo anti
+A6 : C C4p_exo syn
+A7 : G C4p_exo anti
+A8 : G C3p_endo anti
+A9 : U C3p_endo anti
+A10 : G C2p_exo anti
+A11 : U C3p_endo anti
+A12 : A C4p_endo anti
+A13 : A C3p_endo anti
+A14 : A C3p_exo anti
+A15 : A C3p_endo anti
+A16 : A C3p_endo anti
+A17 : U C3p_endo anti
+A18 : C C3p_endo anti
+A19 : U C3p_endo anti
+A20 : C C3p_endo anti
+A21 : G C2p_exo anti
+A22 : C C3p_endo anti
+A23 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+A21-A22 : adjacent_5p upward 
+A22-A23 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-A21 : outward 
+A5-A7 : upward 
+A8-A18 : outward 
+Number of stackings = 21
+Number of adjacent stackings = 18
+Number of non adjacent stackings = 3
+Base-pairs ------------------------------------------------------
+A1-A23 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A22 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A21 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-A20 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-A6 : A-C O2'/Hh adjacent_5p pairing 
+A5-A19 : A-U Ww/Ww pairing antiparallel cis XX 
+A6-A7 : C-G O2P/Hh adjacent_5p pairing 
+A7-A18 : G-C Ww/Ww pairing antiparallel cis XIX 
+A8-A17 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+A9-A16 : U-A Ww/Ww pairing antiparallel cis XX 
+A11-A13 : U-A O2'/Hh pairing 
+A11-A14 : U-A Ww/O2P pairing 
+Residue conformations -------------------------------------------
+A1 : G C4p_exo anti
+A2 : G C3p_endo anti
+A3 : C C3p_endo anti
+A4 : G C4p_exo anti
+A5 : A O4p_endo anti
+A6 : C C4p_exo anti
+A7 : G C4p_exo anti
+A8 : G C4p_exo anti
+A9 : U C3p_endo anti
+A10 : G C2p_exo anti
+A11 : U C3p_endo anti
+A12 : A C2p_exo anti
+A13 : A C3p_endo anti
+A14 : A C2p_exo anti
+A15 : A O4p_endo anti
+A16 : A C3p_endo anti
+A17 : U C3p_endo anti
+A18 : C C3p_endo anti
+A19 : U C3p_endo anti
+A20 : C C3p_endo anti
+A21 : G C2p_exo anti
+A22 : C C3p_endo anti
+A23 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A21-A22 : adjacent_5p upward 
+A22-A23 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-A21 : outward 
+A5-A7 : upward pairing 
+A8-A18 : outward 
+Number of stackings = 17
+Number of adjacent stackings = 14
+Number of non adjacent stackings = 3
+Base-pairs ------------------------------------------------------
+A1-A23 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A22 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A21 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-A20 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-A6 : A-C O2'/Hh adjacent_5p pairing 
+A5-A7 : A-G O2'/Hh upward pairing 
+A5-A19 : A-U Ww/Ww pairing antiparallel cis XX 
+A7-A18 : G-C Ww/Ww pairing antiparallel cis XIX 
+A8-A17 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+A9-A15 : U-A Ws/Wh pairing antiparallel trans one_hbond 46 
+A9-A16 : U-A Ww/Ww pairing antiparallel cis XX 
+A10-A14 : G-A O2'/Bh pairing 
+A10-A15 : G-A Sw/Hh pairing antiparallel trans one_hbond 
+A11-A13 : U-A O2'/Hh pairing 
+A11-A14 : U-A Ww/O2P pairing 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : C C3p_endo anti
+A4 : G C2p_exo anti
+A5 : A O4p_endo anti
+A6 : C C1p_exo anti
+A7 : G C4p_exo anti
+A8 : G C3p_endo anti
+A9 : U C3p_endo anti
+A10 : G C2p_exo anti
+A11 : U C3p_endo anti
+A12 : A C1p_endo anti
+A13 : A C3p_endo anti
+A14 : A C2p_exo anti
+A15 : A C3p_endo anti
+A16 : A C4p_exo anti
+A17 : U C4p_exo anti
+A18 : C C3p_endo anti
+A19 : U C3p_endo anti
+A20 : C C3p_endo anti
+A21 : G C3p_endo anti
+A22 : C C3p_endo anti
+A23 : C C2p_exo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward pairing 
+A16-A17 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+A21-A22 : adjacent_5p upward 
+A22-A23 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-A21 : outward 
+A5-A7 : upward 
+A8-A18 : outward 
+Number of stackings = 21
+Number of adjacent stackings = 18
+Number of non adjacent stackings = 3
+Base-pairs ------------------------------------------------------
+A1-A23 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A22 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A21 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-A20 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-A19 : A-U Ww/Ww pairing antiparallel cis XX 
+A7-A18 : G-C Ww/Ww pairing antiparallel cis XIX 
+A8-A17 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+A9-A16 : U-A Ww/Ww pairing antiparallel cis XX 
+A10-A14 : G-A Ww/O2P pairing 
+A10-A15 : G-A Ss/Hh pairing antiparallel trans XI 
+A11-A13 : U-A O2'/Hh pairing 
+A11-A14 : U-A O2'/Bh Ww/O2P pairing 
+A15-A16 : A-A O2P/Hh adjacent_5p upward pairing 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : C C3p_endo anti
+A4 : G C3p_endo anti
+A5 : A C3p_exo anti
+A6 : C C2p_endo anti
+A7 : G C4p_exo anti
+A8 : G C3p_endo anti
+A9 : U C3p_endo anti
+A10 : G C2p_exo anti
+A11 : U C3p_endo anti
+A12 : A C3p_endo anti
+A13 : A C3p_endo anti
+A14 : A C2p_exo anti
+A15 : A C3p_endo anti
+A16 : A C3p_endo anti
+A17 : U C3p_endo anti
+A18 : C C3p_endo anti
+A19 : U C3p_endo anti
+A20 : C C3p_endo anti
+A21 : G C2p_exo anti
+A22 : C C3p_endo anti
+A23 : C C2p_exo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+A21-A22 : adjacent_5p upward 
+A22-A23 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-A21 : outward 
+A5-A7 : upward 
+A8-A18 : outward 
+Number of stackings = 20
+Number of adjacent stackings = 17
+Number of non adjacent stackings = 3
+Base-pairs ------------------------------------------------------
+A1-A23 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A22 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A21 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-A20 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-A19 : A-U Ww/Ww pairing antiparallel cis XX 
+A6-A14 : C-A Bh/O2P pairing 
+A7-A18 : G-C Ww/Ww pairing antiparallel cis XIX 
+A8-A17 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+A9-A16 : U-A Ww/Ww pairing antiparallel cis XX 
+A10-A14 : G-A O2'/Bh pairing 
+A10-A15 : G-A Ss/Hh pairing antiparallel trans XI 
+A11-A13 : U-A O2'/Hh pairing 
+A11-A14 : U-A Ww/O2P pairing 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : C C3p_endo anti
+A4 : G C3p_endo anti
+A5 : A C4p_exo anti
+A6 : C C2p_endo anti
+A7 : G C4p_exo anti
+A8 : G C4p_exo anti
+A9 : U C3p_endo anti
+A10 : G C2p_exo anti
+A11 : U C3p_endo anti
+A12 : A C1p_endo anti
+A13 : A C3p_endo anti
+A14 : A C2p_exo anti
+A15 : A C3p_endo anti
+A16 : A C2p_exo anti
+A17 : U C4p_exo anti
+A18 : C C3p_endo anti
+A19 : U C3p_endo anti
+A20 : C C3p_endo anti
+A21 : G C2p_exo anti
+A22 : C C3p_endo anti
+A23 : C C2p_exo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+A21-A22 : adjacent_5p upward 
+A22-A23 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-A21 : outward 
+A5-A7 : upward 
+Number of stackings = 19
+Number of adjacent stackings = 17
+Number of non adjacent stackings = 2
+Base-pairs ------------------------------------------------------
+A1-A23 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A22 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A21 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-A20 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-A19 : A-U Ww/Ww pairing antiparallel cis XX 
+A7-A18 : G-C Ww/Ww pairing antiparallel cis XIX 
+A8-A17 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+A9-A16 : U-A Ww/Ww pairing antiparallel cis XX 
+A10-A14 : G-A Ww/O2P pairing 
+A10-A15 : G-A Ss/Hh pairing antiparallel trans XI 
+A11-A13 : U-A O2'/Bh O2'/Hh pairing 
+A11-A14 : U-A Ww/O2P pairing 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : C C3p_endo anti
+A4 : G C3p_endo anti
+A5 : A C3p_exo anti
+A6 : C C2p_endo anti
+A7 : G C4p_exo anti
+A8 : G C4p_exo anti
+A9 : U C3p_endo anti
+A10 : G C2p_exo anti
+A11 : U C3p_endo anti
+A12 : A C1p_endo anti
+A13 : A C3p_endo anti
+A14 : A C2p_exo anti
+A15 : A C3p_endo anti
+A16 : A O4p_endo anti
+A17 : U C4p_exo anti
+A18 : C C3p_endo anti
+A19 : U C3p_endo anti
+A20 : C C3p_endo anti
+A21 : G C3p_endo anti
+A22 : C C3p_endo anti
+A23 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward pairing 
+A16-A17 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+A21-A22 : adjacent_5p upward 
+A22-A23 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-A21 : outward 
+A5-A7 : upward 
+Number of stackings = 19
+Number of adjacent stackings = 17
+Number of non adjacent stackings = 2
+Base-pairs ------------------------------------------------------
+A1-A23 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A22 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A21 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-A20 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-A6 : A-C O2P/Bh adjacent_5p pairing 
+A5-A19 : A-U Ww/Ww pairing antiparallel cis XX 
+A7-A18 : G-C Ww/Ww pairing antiparallel cis XIX 
+A8-A17 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+A9-A16 : U-A Ww/Ww pairing antiparallel cis XX 
+A10-A14 : G-A Ww/O2P pairing 
+A10-A15 : G-A Ss/Hh pairing antiparallel trans XI 
+A11-A13 : U-A O2'/Hh pairing 
+A11-A14 : U-A O2'/Bh Ww/O2P pairing 
+A15-A16 : A-A O2P/Hh adjacent_5p upward pairing 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : C C3p_endo anti
+A4 : G C2p_exo anti
+A5 : A C1p_exo anti
+A6 : C C1p_exo anti
+A7 : G C4p_exo anti
+A8 : G C4p_exo anti
+A9 : U C3p_endo anti
+A10 : G C2p_exo anti
+A11 : U C3p_endo anti
+A12 : A C4p_endo anti
+A13 : A C3p_endo anti
+A14 : A C2p_exo anti
+A15 : A C3p_endo anti
+A16 : A C3p_endo anti
+A17 : U C3p_endo anti
+A18 : C C3p_endo anti
+A19 : U C3p_endo anti
+A20 : C C2p_exo anti
+A21 : G C3p_endo anti
+A22 : C C3p_endo anti
+A23 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward pairing 
+A16-A17 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+A21-A22 : adjacent_5p upward 
+A22-A23 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-A21 : outward 
+A5-A7 : upward 
+Number of stackings = 18
+Number of adjacent stackings = 16
+Number of non adjacent stackings = 2
+Base-pairs ------------------------------------------------------
+A1-A23 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A22 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A21 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-A20 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-A19 : A-U Ww/Ww pairing antiparallel cis XX 
+A7-A18 : G-C Ww/Ww pairing antiparallel cis XIX 
+A8-A17 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+A9-A16 : U-A Ww/Ww pairing antiparallel cis XX 
+A10-A14 : G-A Ww/O2P pairing 
+A10-A15 : G-A Sw/Hh pairing antiparallel trans one_hbond 
+A11-A13 : U-A O2'/Hh pairing 
+A11-A14 : U-A O2'/Bh Ww/O2P pairing 
+A15-A16 : A-A O2P/Hh adjacent_5p upward pairing 
+Residue conformations -------------------------------------------
+A1 : G C4p_exo anti
+A2 : G C3p_endo anti
+A3 : C C3p_endo anti
+A4 : G C2p_exo anti
+A5 : A C3p_exo anti
+A6 : C C1p_exo anti
+A7 : G C4p_exo anti
+A8 : G C4p_exo anti
+A9 : U C3p_endo anti
+A10 : G C2p_exo anti
+A11 : U C3p_endo anti
+A12 : A O4p_endo anti
+A13 : A C3p_endo anti
+A14 : A C2p_exo anti
+A15 : A C2p_exo anti
+A16 : A C2p_exo anti
+A17 : U C4p_exo anti
+A18 : C C3p_endo anti
+A19 : U C3p_endo anti
+A20 : C C3p_endo anti
+A21 : G C2p_exo anti
+A22 : C C3p_endo anti
+A23 : C C2p_exo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+A21-A22 : adjacent_5p upward 
+A22-A23 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-A21 : outward 
+A5-A7 : upward 
+Number of stackings = 18
+Number of adjacent stackings = 16
+Number of non adjacent stackings = 2
+Base-pairs ------------------------------------------------------
+A1-A23 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A22 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A21 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-A20 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-A6 : A-C O2P/Bh adjacent_5p pairing 
+A5-A19 : A-U Ww/Ww pairing antiparallel cis XX 
+A7-A18 : G-C Ww/Ww pairing antiparallel cis XIX 
+A8-A17 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+A9-A16 : U-A Ww/Ww pairing antiparallel cis XX 
+A10-A14 : G-A Ww/O2P pairing 
+A11-A14 : U-A O2'/Bh Ww/O2P pairing 
+A15-A16 : A-A O2P/Hh adjacent_5p pairing 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : C C3p_endo anti
+A4 : G C3p_endo anti
+A5 : A C4p_exo anti
+A6 : C C1p_exo anti
+A7 : G C4p_exo anti
+A8 : G C3p_endo anti
+A9 : U C3p_endo anti
+A10 : G C2p_exo anti
+A11 : U C3p_endo anti
+A12 : A C3p_exo anti
+A13 : A C3p_endo anti
+A14 : A C2p_exo anti
+A15 : A C3p_endo anti
+A16 : A C3p_endo anti
+A17 : U C4p_exo anti
+A18 : C C3p_endo anti
+A19 : U C3p_endo anti
+A20 : C C3p_endo anti
+A21 : G C3p_endo anti
+A22 : C C3p_endo anti
+A23 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+A21-A22 : adjacent_5p upward 
+A22-A23 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-A21 : outward 
+A5-A7 : upward 
+A8-A18 : outward 
+Number of stackings = 21
+Number of adjacent stackings = 18
+Number of non adjacent stackings = 3
+Base-pairs ------------------------------------------------------
+A1-A23 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A22 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A21 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-A20 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-A19 : A-U Ww/Ww pairing antiparallel cis XX 
+A6-A15 : C-A Bh/O2P pairing 
+A7-A18 : G-C Ww/Ww pairing antiparallel cis XIX 
+A8-A17 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+A9-A16 : U-A Ww/Ww pairing antiparallel cis XX 
+A10-A14 : G-A Ww/O2P pairing 
+A10-A15 : G-A Ss/Hh pairing antiparallel trans XI 
+A11-A13 : U-A O2'/Hh pairing 
+A11-A14 : U-A O2'/Bh Ww/O2P pairing 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : C C3p_endo anti
+A4 : G C3p_endo anti
+A5 : A C3p_endo anti
+A6 : C O4p_endo anti
+A7 : G C4p_exo anti
+A8 : G C3p_endo anti
+A9 : U C3p_endo anti
+A10 : G C2p_exo anti
+A11 : U C3p_endo anti
+A12 : A C4p_endo anti
+A13 : A C3p_endo anti
+A14 : A C3p_exo anti
+A15 : A C2p_exo anti
+A16 : A C3p_endo anti
+A17 : U C2p_exo anti
+A18 : C C3p_endo anti
+A19 : U C3p_endo anti
+A20 : C C3p_endo anti
+A21 : G C2p_exo anti
+A22 : C C3p_endo anti
+A23 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+A21-A22 : adjacent_5p upward 
+A22-A23 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-A21 : outward 
+A5-A7 : upward 
+Number of stackings = 20
+Number of adjacent stackings = 18
+Number of non adjacent stackings = 2
+Base-pairs ------------------------------------------------------
+A1-A23 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A22 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A21 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-A20 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-A19 : A-U Ww/Ww pairing antiparallel cis XX 
+A7-A18 : G-C Ww/Ww pairing antiparallel cis XIX 
+A8-A17 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+A9-A16 : U-A Ww/Ww pairing antiparallel cis XX 
+A10-A14 : G-A Ww/O2P pairing 
+A11-A13 : U-A O2'/Hh pairing 
+A11-A14 : U-A Ww/O2P pairing 
diff --git a/MCdata/1byj_MC b/MCdata/1byj_MC
new file mode 100644
index 0000000000000000000000000000000000000000..b22090948568864dd4a7ee9036deaf267f9de721
--- /dev/null
+++ b/MCdata/1byj_MC
@@ -0,0 +1,2623 @@
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : C C3p_endo anti
+A4 : G C3p_endo anti
+A5 : U C3p_endo anti
+A6 : C C3p_endo anti
+A7 : A C3p_endo anti
+A8 : C C3p_endo anti
+A9 : A C3p_endo anti
+A10 : C C3p_endo anti
+A11 : C C3p_endo anti
+A12 : U C3p_endo anti
+A13 : U C1p_exo anti
+A14 : C C2p_endo anti
+A15 : G C4p_exo syn
+A16 : G C2p_exo anti
+A17 : G C3p_endo anti
+A18 : U C3p_endo anti
+A19 : G C3p_endo anti
+A20 : A C3p_endo anti
+A21 : A C3p_endo anti
+A22 : G C3p_endo anti
+A23 : U C3p_endo anti
+A24 : C C3p_endo anti
+A25 : G C3p_endo anti
+A26 : C C3p_endo anti
+A27 : C O4p_endo anti
+A28 : GE1
+A29 : GE2
+A30 : GE3
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A15-A16 : adjacent_5p outward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A22-A23 : adjacent_5p upward 
+A23-A24 : adjacent_5p upward 
+A25-A26 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-A25 : outward 
+A9-A19 : outward 
+A12-A14 : upward 
+Number of stackings = 21
+Number of adjacent stackings = 18
+Number of non adjacent stackings = 3
+Base-pairs ------------------------------------------------------
+A1-A27 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A26 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A25 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-A24 : G-C Ww/Ww pairing antiparallel cis XIX 
+A6-A22 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-A19 : C-G Ww/Ww pairing antiparallel cis XIX 
+A9-A18 : A-U Ww/Ww pairing antiparallel cis XX 
+A10-A17 : C-G Ww/Ww pairing antiparallel cis XIX 
+A11-A16 : C-G Ww/Ww pairing antiparallel cis XIX 
+A12-A15 : U-G Bs/Ww pairing parallel trans 87 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : C C3p_endo anti
+A4 : G C3p_endo anti
+A5 : U C3p_endo anti
+A6 : C C3p_endo anti
+A7 : A C3p_endo anti
+A8 : C C3p_endo anti
+A9 : A C3p_endo anti
+A10 : C C3p_endo anti
+A11 : C C3p_endo anti
+A12 : U C3p_endo anti
+A13 : U C1p_exo anti
+A14 : C C2p_endo anti
+A15 : G C4p_exo syn
+A16 : G C2p_exo anti
+A17 : G C3p_endo anti
+A18 : U C3p_endo anti
+A19 : G C3p_endo anti
+A20 : A C3p_endo anti
+A21 : A C3p_endo anti
+A22 : G C3p_endo anti
+A23 : U C3p_endo anti
+A24 : C C3p_endo anti
+A25 : G C3p_endo anti
+A26 : C C3p_endo anti
+A27 : C O4p_endo anti
+A28 : GE1
+A29 : GE2
+A30 : GE3
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A15-A16 : adjacent_5p outward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+A22-A23 : adjacent_5p upward 
+A23-A24 : adjacent_5p upward 
+A25-A26 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-A25 : outward 
+A7-A22 : outward 
+A9-A19 : outward 
+A12-A14 : upward 
+Number of stackings = 22
+Number of adjacent stackings = 18
+Number of non adjacent stackings = 4
+Base-pairs ------------------------------------------------------
+A1-A27 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A26 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A25 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-A24 : G-C Ww/Ww pairing antiparallel cis XIX 
+A6-A22 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-A19 : C-G Ww/Ww pairing antiparallel cis XIX 
+A9-A18 : A-U Ww/Ww pairing antiparallel cis XX 
+A10-A17 : C-G Ww/Ww pairing antiparallel cis XIX 
+A11-A16 : C-G Ww/Ww pairing antiparallel cis XIX 
+A12-A15 : U-G Bs/Ww pairing parallel trans 87 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : C C3p_endo anti
+A4 : G C3p_endo anti
+A5 : U C3p_endo anti
+A6 : C C3p_endo anti
+A7 : A C3p_endo anti
+A8 : C C3p_endo anti
+A9 : A C3p_endo anti
+A10 : C C3p_endo anti
+A11 : C C3p_endo anti
+A12 : U C3p_endo anti
+A13 : U C1p_exo anti
+A14 : C C2p_endo anti
+A15 : G C4p_exo syn
+A16 : G C2p_exo anti
+A17 : G C3p_endo anti
+A18 : U C3p_endo anti
+A19 : G C3p_endo anti
+A20 : A C3p_endo anti
+A21 : A C3p_endo anti
+A22 : G C3p_endo anti
+A23 : U C3p_endo anti
+A24 : C C3p_endo anti
+A25 : G C3p_endo anti
+A26 : C C3p_endo anti
+A27 : C O4p_endo anti
+A28 : GE1
+A29 : GE2
+A30 : GE3
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A15-A16 : adjacent_5p outward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+A22-A23 : adjacent_5p upward 
+A23-A24 : adjacent_5p upward 
+A25-A26 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-A25 : outward 
+A7-A22 : outward 
+A9-A19 : outward 
+A12-A14 : upward 
+Number of stackings = 22
+Number of adjacent stackings = 18
+Number of non adjacent stackings = 4
+Base-pairs ------------------------------------------------------
+A1-A27 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A26 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A25 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-A24 : G-C Ww/Ww pairing antiparallel cis XIX 
+A6-A22 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-A19 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-A21 : C-A Ws/Wh pairing antiparallel cis one_hbond 78 
+A9-A18 : A-U Ww/Ww pairing antiparallel cis XX 
+A10-A17 : C-G Ww/Ww pairing antiparallel cis XIX 
+A11-A16 : C-G Ww/Ww pairing antiparallel cis XIX 
+A12-A15 : U-G Bs/Ww pairing parallel trans 87 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : C C3p_endo anti
+A4 : G C3p_endo anti
+A5 : U C3p_endo anti
+A6 : C C3p_endo anti
+A7 : A C3p_endo anti
+A8 : C C3p_endo anti
+A9 : A C3p_endo anti
+A10 : C C3p_endo anti
+A11 : C C3p_endo anti
+A12 : U C3p_endo anti
+A13 : U C1p_exo anti
+A14 : C C2p_endo anti
+A15 : G C4p_exo syn
+A16 : G C2p_exo anti
+A17 : G C3p_endo anti
+A18 : U C3p_endo anti
+A19 : G C3p_endo anti
+A20 : A C2p_endo anti
+A21 : A C3p_endo anti
+A22 : G C3p_endo anti
+A23 : U C3p_endo anti
+A24 : C C3p_endo anti
+A25 : G C3p_endo anti
+A26 : C C3p_endo anti
+A27 : C O4p_endo anti
+A28 : GE1
+A29 : GE2
+A30 : GE3
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A15-A16 : adjacent_5p outward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A22-A23 : adjacent_5p upward 
+A23-A24 : adjacent_5p upward 
+A25-A26 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-A25 : outward 
+A7-A22 : outward 
+A9-A19 : outward 
+A12-A14 : upward 
+Number of stackings = 22
+Number of adjacent stackings = 18
+Number of non adjacent stackings = 4
+Base-pairs ------------------------------------------------------
+A1-A27 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A26 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A25 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-A24 : G-C Ww/Ww pairing antiparallel cis XIX 
+A6-A22 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-A19 : C-G Ww/Ww pairing antiparallel cis XIX 
+A9-A18 : A-U Ww/Ww pairing antiparallel cis XX 
+A10-A17 : C-G Ww/Ww pairing antiparallel cis XIX 
+A11-A16 : C-G Ww/Ww pairing antiparallel cis XIX 
+A12-A15 : U-G Bs/Ww pairing parallel trans 87 
+A19-A20 : G-A O2'/Hh adjacent_5p pairing 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : C C3p_endo anti
+A4 : G C3p_endo anti
+A5 : U C3p_endo anti
+A6 : C C3p_endo anti
+A7 : A C3p_endo anti
+A8 : C C3p_endo anti
+A9 : A C3p_endo anti
+A10 : C C3p_endo anti
+A11 : C C3p_endo anti
+A12 : U C3p_endo anti
+A13 : U C1p_exo anti
+A14 : C C2p_endo anti
+A15 : G C4p_exo syn
+A16 : G C2p_exo anti
+A17 : G C3p_endo anti
+A18 : U C3p_endo anti
+A19 : G C3p_endo anti
+A20 : A C3p_endo anti
+A21 : A C3p_endo anti
+A22 : G C3p_endo anti
+A23 : U C3p_endo anti
+A24 : C C3p_endo anti
+A25 : G C3p_endo anti
+A26 : C C3p_endo anti
+A27 : C O4p_endo anti
+A28 : GE1
+A29 : GE2
+A30 : GE3
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A15-A16 : adjacent_5p outward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+A22-A23 : adjacent_5p upward 
+A23-A24 : adjacent_5p upward 
+A25-A26 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-A25 : outward 
+A7-A22 : outward 
+A9-A19 : outward 
+A12-A14 : upward 
+Number of stackings = 22
+Number of adjacent stackings = 18
+Number of non adjacent stackings = 4
+Base-pairs ------------------------------------------------------
+A1-A27 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A26 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A25 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-A24 : G-C Ww/Ww pairing antiparallel cis XIX 
+A6-A22 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-A19 : C-G Ww/Ww pairing antiparallel cis XIX 
+A9-A18 : A-U Ww/Ww pairing antiparallel cis XX 
+A10-A17 : C-G Ww/Ww pairing antiparallel cis XIX 
+A11-A16 : C-G Ww/Ww pairing antiparallel cis XIX 
+A12-A15 : U-G Bs/Ww pairing parallel trans 87 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : C C3p_endo anti
+A4 : G C3p_endo anti
+A5 : U C3p_endo anti
+A6 : C C3p_endo anti
+A7 : A C3p_endo anti
+A8 : C C3p_endo anti
+A9 : A C3p_endo anti
+A10 : C C3p_endo anti
+A11 : C C3p_endo anti
+A12 : U C3p_endo anti
+A13 : U C1p_exo anti
+A14 : C C2p_endo anti
+A15 : G C4p_exo syn
+A16 : G C2p_exo anti
+A17 : G C3p_endo anti
+A18 : U C3p_endo anti
+A19 : G C3p_endo anti
+A20 : A C3p_endo anti
+A21 : A C3p_endo anti
+A22 : G C3p_endo anti
+A23 : U C3p_endo anti
+A24 : C C3p_endo anti
+A25 : G C3p_endo anti
+A26 : C C3p_endo anti
+A27 : C O4p_endo anti
+A28 : GE1
+A29 : GE2
+A30 : GE3
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A15-A16 : adjacent_5p outward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+A22-A23 : adjacent_5p upward 
+A23-A24 : adjacent_5p upward 
+A25-A26 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-A25 : outward 
+A7-A22 : outward 
+A9-A19 : outward 
+A12-A14 : upward 
+Number of stackings = 22
+Number of adjacent stackings = 18
+Number of non adjacent stackings = 4
+Base-pairs ------------------------------------------------------
+A1-A27 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A26 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A25 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-A24 : G-C Ww/Ww pairing antiparallel cis XIX 
+A6-A22 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-A19 : C-G Ww/Ww pairing antiparallel cis XIX 
+A9-A18 : A-U Ww/Ww pairing antiparallel cis XX 
+A10-A17 : C-G Ww/Ww pairing antiparallel cis XIX 
+A11-A16 : C-G Ww/Ww pairing antiparallel cis XIX 
+A12-A15 : U-G Bs/Ww pairing parallel trans 87 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : C C3p_endo anti
+A4 : G C3p_endo anti
+A5 : U C3p_endo anti
+A6 : C C3p_endo anti
+A7 : A C3p_endo anti
+A8 : C C3p_endo anti
+A9 : A C3p_endo anti
+A10 : C C3p_endo anti
+A11 : C C3p_endo anti
+A12 : U C3p_endo anti
+A13 : U C1p_exo anti
+A14 : C C2p_endo anti
+A15 : G C4p_exo syn
+A16 : G C2p_exo anti
+A17 : G C3p_endo anti
+A18 : U C3p_endo anti
+A19 : G C3p_endo anti
+A20 : A C3p_endo anti
+A21 : A C4p_exo anti
+A22 : G C3p_endo anti
+A23 : U C3p_endo anti
+A24 : C C3p_endo anti
+A25 : G C3p_endo anti
+A26 : C C3p_endo anti
+A27 : C O4p_endo anti
+A28 : GE1
+A29 : GE2
+A30 : GE3
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A15-A16 : adjacent_5p outward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A22-A23 : adjacent_5p upward 
+A23-A24 : adjacent_5p upward 
+A25-A26 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-A25 : outward 
+A7-A22 : outward 
+A9-A19 : outward 
+A12-A14 : upward 
+Number of stackings = 22
+Number of adjacent stackings = 18
+Number of non adjacent stackings = 4
+Base-pairs ------------------------------------------------------
+A1-A27 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A26 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A25 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-A24 : G-C Ww/Ww pairing antiparallel cis XIX 
+A6-A22 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-A19 : C-G Ww/Ww pairing antiparallel cis XIX 
+A9-A18 : A-U Ww/Ww pairing antiparallel cis XX 
+A10-A17 : C-G Ww/Ww pairing antiparallel cis XIX 
+A11-A16 : C-G Ww/Ww pairing antiparallel cis XIX 
+A12-A15 : U-G Bs/Ww pairing parallel trans 87 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : C C3p_endo anti
+A4 : G C3p_endo anti
+A5 : U C3p_endo anti
+A6 : C C3p_endo anti
+A7 : A C3p_endo anti
+A8 : C C3p_endo anti
+A9 : A C3p_endo anti
+A10 : C C3p_endo anti
+A11 : C C3p_endo anti
+A12 : U C3p_endo anti
+A13 : U C1p_exo anti
+A14 : C C2p_endo anti
+A15 : G C4p_exo syn
+A16 : G C2p_exo anti
+A17 : G C3p_endo anti
+A18 : U C3p_endo anti
+A19 : G C3p_endo anti
+A20 : A C3p_endo anti
+A21 : A C3p_endo anti
+A22 : G C3p_endo anti
+A23 : U C3p_endo anti
+A24 : C C3p_endo anti
+A25 : G C3p_endo anti
+A26 : C C3p_endo anti
+A27 : C O4p_endo anti
+A28 : GE1
+A29 : GE2
+A30 : GE3
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A15-A16 : adjacent_5p outward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+A22-A23 : adjacent_5p upward 
+A23-A24 : adjacent_5p upward 
+A25-A26 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-A25 : outward 
+A7-A22 : outward 
+A9-A19 : outward 
+A12-A14 : upward 
+Number of stackings = 22
+Number of adjacent stackings = 18
+Number of non adjacent stackings = 4
+Base-pairs ------------------------------------------------------
+A1-A27 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A26 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A25 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-A24 : G-C Ww/Ww pairing antiparallel cis XIX 
+A6-A22 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-A19 : C-G Ww/Ww pairing antiparallel cis XIX 
+A9-A18 : A-U Ww/Ww pairing antiparallel cis XX 
+A10-A17 : C-G Ww/Ww pairing antiparallel cis XIX 
+A11-A16 : C-G Ww/Ww pairing antiparallel cis XIX 
+A12-A15 : U-G Bs/Ww pairing parallel trans 87 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : C C3p_endo anti
+A4 : G C3p_endo anti
+A5 : U C3p_endo anti
+A6 : C C3p_endo anti
+A7 : A C3p_endo anti
+A8 : C C3p_endo anti
+A9 : A C3p_endo anti
+A10 : C C3p_endo anti
+A11 : C C3p_endo anti
+A12 : U C3p_endo anti
+A13 : U C1p_exo anti
+A14 : C C2p_endo anti
+A15 : G C4p_exo syn
+A16 : G C2p_exo anti
+A17 : G C3p_endo anti
+A18 : U C3p_endo anti
+A19 : G C3p_endo anti
+A20 : A C3p_endo anti
+A21 : A C4p_exo anti
+A22 : G C3p_endo anti
+A23 : U C3p_endo anti
+A24 : C C3p_endo anti
+A25 : G C3p_endo anti
+A26 : C C3p_endo anti
+A27 : C O4p_endo anti
+A28 : GE1
+A29 : GE2
+A30 : GE3
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A15-A16 : adjacent_5p outward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A22-A23 : adjacent_5p upward 
+A23-A24 : adjacent_5p upward 
+A25-A26 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-A25 : outward 
+A7-A22 : outward 
+A9-A19 : outward 
+A12-A14 : upward 
+Number of stackings = 22
+Number of adjacent stackings = 18
+Number of non adjacent stackings = 4
+Base-pairs ------------------------------------------------------
+A1-A27 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A26 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A25 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-A24 : G-C Ww/Ww pairing antiparallel cis XIX 
+A6-A22 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-A19 : C-G Ww/Ww pairing antiparallel cis XIX 
+A9-A18 : A-U Ww/Ww pairing antiparallel cis XX 
+A10-A17 : C-G Ww/Ww pairing antiparallel cis XIX 
+A11-A16 : C-G Ww/Ww pairing antiparallel cis XIX 
+A12-A15 : U-G Bs/Ww pairing parallel trans 87 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : C C3p_endo anti
+A4 : G C3p_endo anti
+A5 : U C3p_endo anti
+A6 : C C3p_endo anti
+A7 : A C3p_endo anti
+A8 : C C3p_endo anti
+A9 : A C3p_endo anti
+A10 : C C3p_endo anti
+A11 : C C3p_endo anti
+A12 : U C3p_endo anti
+A13 : U C1p_exo anti
+A14 : C C2p_endo anti
+A15 : G C4p_exo syn
+A16 : G C2p_exo anti
+A17 : G C3p_endo anti
+A18 : U C3p_endo anti
+A19 : G C3p_endo anti
+A20 : A C3p_endo anti
+A21 : A C4p_exo anti
+A22 : G C3p_endo anti
+A23 : U C3p_endo anti
+A24 : C C3p_endo anti
+A25 : G C3p_endo anti
+A26 : C C3p_endo anti
+A27 : C O4p_endo anti
+A28 : GE1
+A29 : GE2
+A30 : GE3
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A15-A16 : adjacent_5p outward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A22-A23 : adjacent_5p upward 
+A23-A24 : adjacent_5p upward 
+A25-A26 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-A25 : outward 
+A7-A22 : outward 
+A9-A19 : outward 
+A12-A14 : upward 
+Number of stackings = 21
+Number of adjacent stackings = 17
+Number of non adjacent stackings = 4
+Base-pairs ------------------------------------------------------
+A1-A27 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A26 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A25 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-A24 : G-C Ww/Ww pairing antiparallel cis XIX 
+A6-A22 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-A19 : C-G Ww/Ww pairing antiparallel cis XIX 
+A9-A18 : A-U Ww/Ww pairing antiparallel cis XX 
+A10-A17 : C-G Ww/Ww pairing antiparallel cis XIX 
+A11-A16 : C-G Ww/Ww pairing antiparallel cis XIX 
+A12-A15 : U-G Bs/Ww pairing parallel trans 87 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : C C3p_endo anti
+A4 : G C3p_endo anti
+A5 : U C3p_endo anti
+A6 : C C3p_endo anti
+A7 : A C3p_endo anti
+A8 : C C3p_endo anti
+A9 : A C3p_endo anti
+A10 : C C3p_endo anti
+A11 : C C3p_endo anti
+A12 : U C3p_endo anti
+A13 : U C1p_exo anti
+A14 : C C2p_endo anti
+A15 : G C4p_exo syn
+A16 : G C2p_exo anti
+A17 : G C3p_endo anti
+A18 : U C3p_endo anti
+A19 : G C3p_endo anti
+A20 : A C3p_endo anti
+A21 : A C3p_endo anti
+A22 : G C3p_endo anti
+A23 : U C3p_endo anti
+A24 : C C3p_endo anti
+A25 : G C3p_endo anti
+A26 : C C3p_endo anti
+A27 : C O4p_endo anti
+A28 : GE1
+A29 : GE2
+A30 : GE3
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A15-A16 : adjacent_5p outward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+A22-A23 : adjacent_5p upward 
+A23-A24 : adjacent_5p upward 
+A25-A26 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-A25 : outward 
+A7-A22 : outward 
+A9-A19 : outward 
+A12-A14 : upward 
+Number of stackings = 22
+Number of adjacent stackings = 18
+Number of non adjacent stackings = 4
+Base-pairs ------------------------------------------------------
+A1-A27 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A26 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A25 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-A24 : G-C Ww/Ww pairing antiparallel cis XIX 
+A6-A22 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-A19 : C-G Ww/Ww pairing antiparallel cis XIX 
+A9-A18 : A-U Ww/Ww pairing antiparallel cis XX 
+A10-A17 : C-G Ww/Ww pairing antiparallel cis XIX 
+A11-A16 : C-G Ww/Ww pairing antiparallel cis XIX 
+A12-A15 : U-G Bs/Ww pairing parallel trans 87 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : C C3p_endo anti
+A4 : G C3p_endo anti
+A5 : U C3p_endo anti
+A6 : C C3p_endo anti
+A7 : A C3p_endo anti
+A8 : C C3p_endo anti
+A9 : A C3p_endo anti
+A10 : C C3p_endo anti
+A11 : C C3p_endo anti
+A12 : U C3p_endo anti
+A13 : U C1p_exo anti
+A14 : C C2p_endo anti
+A15 : G C4p_exo syn
+A16 : G C2p_exo anti
+A17 : G C3p_endo anti
+A18 : U C3p_endo anti
+A19 : G C3p_endo anti
+A20 : A C3p_endo anti
+A21 : A C3p_endo anti
+A22 : G C3p_endo anti
+A23 : U C3p_endo anti
+A24 : C C3p_endo anti
+A25 : G C3p_endo anti
+A26 : C C3p_endo anti
+A27 : C O4p_endo anti
+A28 : GE1
+A29 : GE2
+A30 : GE3
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A15-A16 : adjacent_5p outward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+A22-A23 : adjacent_5p upward 
+A23-A24 : adjacent_5p upward 
+A25-A26 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-A25 : outward 
+A7-A22 : outward 
+A9-A19 : outward 
+A12-A14 : upward 
+Number of stackings = 22
+Number of adjacent stackings = 18
+Number of non adjacent stackings = 4
+Base-pairs ------------------------------------------------------
+A1-A27 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A26 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A25 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-A24 : G-C Ww/Ww pairing antiparallel cis XIX 
+A6-A22 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-A19 : C-G Ww/Ww pairing antiparallel cis XIX 
+A9-A18 : A-U Ww/Ww pairing antiparallel cis XX 
+A10-A17 : C-G Ww/Ww pairing antiparallel cis XIX 
+A11-A16 : C-G Ww/Ww pairing antiparallel cis XIX 
+A12-A15 : U-G Bs/Ww pairing parallel trans 87 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : C C3p_endo anti
+A4 : G C3p_endo anti
+A5 : U C3p_endo anti
+A6 : C C3p_endo anti
+A7 : A C3p_endo anti
+A8 : C C3p_endo anti
+A9 : A C3p_endo anti
+A10 : C C3p_endo anti
+A11 : C C3p_endo anti
+A12 : U C3p_endo anti
+A13 : U C1p_exo anti
+A14 : C C2p_endo anti
+A15 : G C4p_exo syn
+A16 : G C2p_exo anti
+A17 : G C3p_endo anti
+A18 : U C3p_endo anti
+A19 : G C3p_endo anti
+A20 : A C3p_endo anti
+A21 : A C4p_exo anti
+A22 : G C3p_endo anti
+A23 : U C3p_endo anti
+A24 : C C3p_endo anti
+A25 : G C3p_endo anti
+A26 : C C3p_endo anti
+A27 : C O4p_endo anti
+A28 : GE1
+A29 : GE2
+A30 : GE3
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A15-A16 : adjacent_5p outward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A22-A23 : adjacent_5p upward 
+A23-A24 : adjacent_5p upward 
+A25-A26 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-A25 : outward 
+A7-A22 : outward 
+A9-A19 : outward 
+A12-A14 : upward 
+Number of stackings = 22
+Number of adjacent stackings = 18
+Number of non adjacent stackings = 4
+Base-pairs ------------------------------------------------------
+A1-A27 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A26 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A25 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-A24 : G-C Ww/Ww pairing antiparallel cis XIX 
+A6-A22 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-A19 : C-G Ww/Ww pairing antiparallel cis XIX 
+A9-A18 : A-U Ww/Ww pairing antiparallel cis XX 
+A10-A17 : C-G Ww/Ww pairing antiparallel cis XIX 
+A11-A16 : C-G Ww/Ww pairing antiparallel cis XIX 
+A12-A15 : U-G Bs/Ww pairing parallel trans 87 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : C C3p_endo anti
+A4 : G C3p_endo anti
+A5 : U C3p_endo anti
+A6 : C C3p_endo anti
+A7 : A C3p_endo anti
+A8 : C C3p_endo anti
+A9 : A C3p_endo anti
+A10 : C C3p_endo anti
+A11 : C C3p_endo anti
+A12 : U C3p_endo anti
+A13 : U C1p_exo anti
+A14 : C C2p_endo anti
+A15 : G C4p_exo syn
+A16 : G C2p_exo anti
+A17 : G C3p_endo anti
+A18 : U C3p_endo anti
+A19 : G C3p_endo anti
+A20 : A C3p_endo anti
+A21 : A C4p_exo anti
+A22 : G C3p_endo anti
+A23 : U C3p_endo anti
+A24 : C C3p_endo anti
+A25 : G C3p_endo anti
+A26 : C C3p_endo anti
+A27 : C O4p_endo anti
+A28 : GE1
+A29 : GE2
+A30 : GE3
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A15-A16 : adjacent_5p outward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A22-A23 : adjacent_5p upward 
+A23-A24 : adjacent_5p upward 
+A25-A26 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-A25 : outward 
+A7-A22 : outward 
+A9-A19 : outward 
+A12-A14 : upward 
+Number of stackings = 22
+Number of adjacent stackings = 18
+Number of non adjacent stackings = 4
+Base-pairs ------------------------------------------------------
+A1-A27 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A26 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A25 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-A24 : G-C Ww/Ww pairing antiparallel cis XIX 
+A6-A22 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-A19 : C-G Ww/Ww pairing antiparallel cis XIX 
+A9-A18 : A-U Ww/Ww pairing antiparallel cis XX 
+A10-A17 : C-G Ww/Ww pairing antiparallel cis XIX 
+A11-A16 : C-G Ww/Ww pairing antiparallel cis XIX 
+A12-A15 : U-G Bs/Ww pairing parallel trans 87 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : C C3p_endo anti
+A4 : G C3p_endo anti
+A5 : U C3p_endo anti
+A6 : C C3p_endo anti
+A7 : A C3p_endo anti
+A8 : C C3p_endo anti
+A9 : A C3p_endo anti
+A10 : C C3p_endo anti
+A11 : C C3p_endo anti
+A12 : U C3p_endo anti
+A13 : U C1p_exo anti
+A14 : C C2p_endo anti
+A15 : G C4p_exo syn
+A16 : G C2p_exo anti
+A17 : G C3p_endo anti
+A18 : U C3p_endo anti
+A19 : G C3p_endo anti
+A20 : A C3p_endo anti
+A21 : A C4p_exo anti
+A22 : G C3p_endo anti
+A23 : U C3p_endo anti
+A24 : C C3p_endo anti
+A25 : G C3p_endo anti
+A26 : C C3p_endo anti
+A27 : C O4p_endo anti
+A28 : GE1
+A29 : GE2
+A30 : GE3
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A15-A16 : adjacent_5p outward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A22-A23 : adjacent_5p upward 
+A23-A24 : adjacent_5p upward 
+A25-A26 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-A25 : outward 
+A7-A22 : outward 
+A9-A19 : outward 
+A12-A14 : upward 
+Number of stackings = 22
+Number of adjacent stackings = 18
+Number of non adjacent stackings = 4
+Base-pairs ------------------------------------------------------
+A1-A27 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A26 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A25 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-A24 : G-C Ww/Ww pairing antiparallel cis XIX 
+A6-A22 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-A19 : C-G Ww/Ww pairing antiparallel cis XIX 
+A9-A18 : A-U Ww/Ww pairing antiparallel cis XX 
+A10-A17 : C-G Ww/Ww pairing antiparallel cis XIX 
+A11-A16 : C-G Ww/Ww pairing antiparallel cis XIX 
+A12-A15 : U-G Bs/Ww pairing parallel trans 87 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : C C3p_endo anti
+A4 : G C3p_endo anti
+A5 : U C3p_endo anti
+A6 : C C3p_endo anti
+A7 : A C3p_endo anti
+A8 : C C3p_endo anti
+A9 : A C3p_endo anti
+A10 : C C3p_endo anti
+A11 : C C3p_endo anti
+A12 : U C3p_endo anti
+A13 : U C1p_exo anti
+A14 : C C2p_endo anti
+A15 : G C4p_exo syn
+A16 : G C2p_exo anti
+A17 : G C3p_endo anti
+A18 : U C3p_endo anti
+A19 : G C3p_endo anti
+A20 : A C3p_endo anti
+A21 : A C3p_endo anti
+A22 : G C3p_endo anti
+A23 : U C3p_endo anti
+A24 : C C3p_endo anti
+A25 : G C3p_endo anti
+A26 : C C3p_endo anti
+A27 : C O4p_endo anti
+A28 : GE1
+A29 : GE2
+A30 : GE3
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A15-A16 : adjacent_5p outward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+A22-A23 : adjacent_5p upward 
+A23-A24 : adjacent_5p upward 
+A25-A26 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-A25 : outward 
+A7-A22 : outward 
+A9-A19 : outward 
+A12-A14 : upward 
+Number of stackings = 22
+Number of adjacent stackings = 18
+Number of non adjacent stackings = 4
+Base-pairs ------------------------------------------------------
+A1-A27 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A26 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A25 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-A24 : G-C Ww/Ww pairing antiparallel cis XIX 
+A6-A22 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-A19 : C-G Ww/Ww pairing antiparallel cis 
+A9-A18 : A-U Ww/Ww pairing antiparallel cis XX 
+A10-A17 : C-G Ww/Ww pairing antiparallel cis XIX 
+A11-A16 : C-G Ww/Ww pairing antiparallel cis XIX 
+A12-A15 : U-G Bs/Ww pairing parallel trans 87 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : C C3p_endo anti
+A4 : G C3p_endo anti
+A5 : U C3p_endo anti
+A6 : C C3p_endo anti
+A7 : A C3p_endo anti
+A8 : C C3p_endo anti
+A9 : A C3p_endo anti
+A10 : C C3p_endo anti
+A11 : C C3p_endo anti
+A12 : U C3p_endo anti
+A13 : U C1p_exo anti
+A14 : C C2p_endo anti
+A15 : G C4p_exo syn
+A16 : G C2p_exo anti
+A17 : G C3p_endo anti
+A18 : U C3p_endo anti
+A19 : G C3p_endo anti
+A20 : A C3p_endo anti
+A21 : A C3p_endo anti
+A22 : G C3p_endo anti
+A23 : U C3p_endo anti
+A24 : C C3p_endo anti
+A25 : G C3p_endo anti
+A26 : C C3p_endo anti
+A27 : C O4p_endo anti
+A28 : GE1
+A29 : GE2
+A30 : GE3
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A15-A16 : adjacent_5p outward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+A22-A23 : adjacent_5p upward 
+A23-A24 : adjacent_5p upward 
+A25-A26 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-A25 : outward 
+A7-A22 : outward 
+A9-A19 : outward 
+A12-A14 : upward 
+Number of stackings = 22
+Number of adjacent stackings = 18
+Number of non adjacent stackings = 4
+Base-pairs ------------------------------------------------------
+A1-A27 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A26 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A25 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-A24 : G-C Ww/Ww pairing antiparallel cis XIX 
+A6-A22 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-A19 : C-G Ww/Ww pairing antiparallel cis XIX 
+A9-A18 : A-U Ww/Ww pairing antiparallel cis XX 
+A10-A17 : C-G Ww/Ww pairing antiparallel cis XIX 
+A11-A16 : C-G Ww/Ww pairing antiparallel cis XIX 
+A12-A15 : U-G Bs/Ww pairing parallel trans 87 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : C C3p_endo anti
+A4 : G C3p_endo anti
+A5 : U C3p_endo anti
+A6 : C C3p_endo anti
+A7 : A C3p_endo anti
+A8 : C C3p_endo anti
+A9 : A C3p_endo anti
+A10 : C C3p_endo anti
+A11 : C C3p_endo anti
+A12 : U C3p_endo anti
+A13 : U C1p_exo anti
+A14 : C C2p_endo anti
+A15 : G C4p_exo syn
+A16 : G C2p_exo anti
+A17 : G C3p_endo anti
+A18 : U C3p_endo anti
+A19 : G C3p_endo anti
+A20 : A C3p_endo anti
+A21 : A C3p_endo anti
+A22 : G C3p_endo anti
+A23 : U C3p_endo anti
+A24 : C C3p_endo anti
+A25 : G C3p_endo anti
+A26 : C C3p_endo anti
+A27 : C O4p_endo anti
+A28 : GE1
+A29 : GE2
+A30 : GE3
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A15-A16 : adjacent_5p outward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A22-A23 : adjacent_5p upward 
+A23-A24 : adjacent_5p upward 
+A25-A26 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-A25 : outward 
+A7-A22 : outward 
+A9-A19 : outward 
+A12-A14 : upward 
+Number of stackings = 22
+Number of adjacent stackings = 18
+Number of non adjacent stackings = 4
+Base-pairs ------------------------------------------------------
+A1-A27 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A26 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A25 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-A24 : G-C Ww/Ww pairing antiparallel cis XIX 
+A6-A22 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-A19 : C-G Ww/Ww pairing antiparallel cis XIX 
+A9-A18 : A-U Ww/Ww pairing antiparallel cis XX 
+A10-A17 : C-G Ww/Ww pairing antiparallel cis XIX 
+A11-A16 : C-G Ww/Ww pairing antiparallel cis XIX 
+A12-A15 : U-G Bs/Ww pairing parallel trans 87 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : C C3p_endo anti
+A4 : G C3p_endo anti
+A5 : U C3p_endo anti
+A6 : C C3p_endo anti
+A7 : A C3p_endo anti
+A8 : C C3p_endo anti
+A9 : A C3p_endo anti
+A10 : C C3p_endo anti
+A11 : C C3p_endo anti
+A12 : U C3p_endo anti
+A13 : U C1p_exo anti
+A14 : C C2p_endo anti
+A15 : G C4p_exo syn
+A16 : G C2p_exo anti
+A17 : G C3p_endo anti
+A18 : U C3p_endo anti
+A19 : G C3p_endo anti
+A20 : A C3p_endo anti
+A21 : A C3p_endo anti
+A22 : G C3p_endo anti
+A23 : U C3p_endo anti
+A24 : C C3p_endo anti
+A25 : G C3p_endo anti
+A26 : C C3p_endo anti
+A27 : C O4p_endo anti
+A28 : GE1
+A29 : GE2
+A30 : GE3
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A15-A16 : adjacent_5p outward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+A22-A23 : adjacent_5p upward 
+A23-A24 : adjacent_5p upward 
+A25-A26 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-A25 : outward 
+A7-A22 : outward 
+A9-A19 : outward 
+A12-A14 : upward 
+Number of stackings = 22
+Number of adjacent stackings = 18
+Number of non adjacent stackings = 4
+Base-pairs ------------------------------------------------------
+A1-A27 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A26 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A25 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-A24 : G-C Ww/Ww pairing antiparallel cis XIX 
+A6-A22 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-A19 : C-G Ww/Ww pairing antiparallel cis XIX 
+A9-A18 : A-U Ww/Ww pairing antiparallel cis XX 
+A10-A17 : C-G Ww/Ww pairing antiparallel cis XIX 
+A11-A16 : C-G Ww/Ww pairing antiparallel cis XIX 
+A12-A15 : U-G Bs/Ww pairing parallel trans 87 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : C C3p_endo anti
+A4 : G C3p_endo anti
+A5 : U C3p_endo anti
+A6 : C C3p_endo anti
+A7 : A C3p_endo anti
+A8 : C C3p_endo anti
+A9 : A C3p_endo anti
+A10 : C C3p_endo anti
+A11 : C C3p_endo anti
+A12 : U C3p_endo anti
+A13 : U C1p_exo anti
+A14 : C C2p_endo anti
+A15 : G C4p_exo syn
+A16 : G C2p_exo anti
+A17 : G C3p_endo anti
+A18 : U C3p_endo anti
+A19 : G C3p_endo anti
+A20 : A C3p_endo anti
+A21 : A C3p_endo anti
+A22 : G C3p_endo anti
+A23 : U C3p_endo anti
+A24 : C C3p_endo anti
+A25 : G C3p_endo anti
+A26 : C C3p_endo anti
+A27 : C O4p_endo anti
+A28 : GE1
+A29 : GE2
+A30 : GE3
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A15-A16 : adjacent_5p outward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+A22-A23 : adjacent_5p upward 
+A23-A24 : adjacent_5p upward 
+A25-A26 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-A25 : outward 
+A7-A22 : outward 
+A9-A19 : outward 
+A12-A14 : upward 
+Number of stackings = 22
+Number of adjacent stackings = 18
+Number of non adjacent stackings = 4
+Base-pairs ------------------------------------------------------
+A1-A27 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A26 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A25 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-A24 : G-C Ww/Ww pairing antiparallel cis XIX 
+A6-A22 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-A19 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-A21 : C-A Ws/Wh pairing antiparallel cis one_hbond 78 
+A9-A18 : A-U Ww/Ww pairing antiparallel cis XX 
+A10-A17 : C-G Ww/Ww pairing antiparallel cis XIX 
+A11-A16 : C-G Ww/Ww pairing antiparallel cis XIX 
+A12-A15 : U-G Bs/Ww pairing parallel trans 87 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : C C3p_endo anti
+A4 : G C3p_endo anti
+A5 : U C3p_endo anti
+A6 : C C3p_endo anti
+A7 : A C3p_endo anti
+A8 : C C3p_endo anti
+A9 : A C3p_endo anti
+A10 : C C3p_endo anti
+A11 : C C3p_endo anti
+A12 : U C3p_endo anti
+A13 : U C1p_exo anti
+A14 : C C2p_endo anti
+A15 : G C4p_exo syn
+A16 : G C2p_exo anti
+A17 : G C3p_endo anti
+A18 : U C3p_endo anti
+A19 : G C3p_endo anti
+A20 : A C3p_endo anti
+A21 : A C4p_exo anti
+A22 : G C3p_endo anti
+A23 : U C3p_endo anti
+A24 : C C3p_endo anti
+A25 : G C3p_endo anti
+A26 : C C3p_endo anti
+A27 : C O4p_endo anti
+A28 : GE1
+A29 : GE2
+A30 : GE3
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A15-A16 : adjacent_5p outward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A22-A23 : adjacent_5p upward 
+A23-A24 : adjacent_5p upward 
+A25-A26 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-A25 : outward 
+A7-A22 : outward 
+A9-A19 : outward 
+A12-A14 : upward 
+Number of stackings = 22
+Number of adjacent stackings = 18
+Number of non adjacent stackings = 4
+Base-pairs ------------------------------------------------------
+A1-A27 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A26 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A25 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-A24 : G-C Ww/Ww pairing antiparallel cis XIX 
+A6-A22 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-A19 : C-G Ww/Ww pairing antiparallel cis XIX 
+A9-A18 : A-U Ww/Ww pairing antiparallel cis XX 
+A10-A17 : C-G Ww/Ww pairing antiparallel cis XIX 
+A11-A16 : C-G Ww/Ww pairing antiparallel cis XIX 
+A12-A15 : U-G Bs/Ww pairing parallel trans 87 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : C C3p_endo anti
+A4 : G C3p_endo anti
+A5 : U C3p_endo anti
+A6 : C C3p_endo anti
+A7 : A C3p_endo anti
+A8 : C C3p_endo anti
+A9 : A C3p_endo anti
+A10 : C C3p_endo anti
+A11 : C C3p_endo anti
+A12 : U C3p_endo anti
+A13 : U C1p_exo anti
+A14 : C C2p_endo anti
+A15 : G C4p_exo syn
+A16 : G C2p_exo anti
+A17 : G C3p_endo anti
+A18 : U C3p_endo anti
+A19 : G C3p_endo anti
+A20 : A C3p_endo anti
+A21 : A C4p_exo anti
+A22 : G C3p_endo anti
+A23 : U C3p_endo anti
+A24 : C C3p_endo anti
+A25 : G C3p_endo anti
+A26 : C C3p_endo anti
+A27 : C O4p_endo anti
+A28 : GE1
+A29 : GE2
+A30 : GE3
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A15-A16 : adjacent_5p outward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A22-A23 : adjacent_5p upward 
+A23-A24 : adjacent_5p upward 
+A25-A26 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-A25 : outward 
+A7-A22 : outward 
+A9-A19 : outward 
+A12-A14 : upward 
+Number of stackings = 22
+Number of adjacent stackings = 18
+Number of non adjacent stackings = 4
+Base-pairs ------------------------------------------------------
+A1-A27 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A26 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A25 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-A24 : G-C Ww/Ww pairing antiparallel cis XIX 
+A6-A22 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-A19 : C-G Ww/Ww pairing antiparallel cis XIX 
+A9-A18 : A-U Ww/Ww pairing antiparallel cis XX 
+A10-A17 : C-G Ww/Ww pairing antiparallel cis XIX 
+A11-A16 : C-G Ww/Ww pairing antiparallel cis XIX 
+A12-A15 : U-G Bs/Ww pairing parallel trans 87 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : C C3p_endo anti
+A4 : G C3p_endo anti
+A5 : U C3p_endo anti
+A6 : C C3p_endo anti
+A7 : A C3p_endo anti
+A8 : C C3p_endo anti
+A9 : A C3p_endo anti
+A10 : C C3p_endo anti
+A11 : C C3p_endo anti
+A12 : U C3p_endo anti
+A13 : U C1p_exo anti
+A14 : C C2p_endo anti
+A15 : G C4p_exo syn
+A16 : G C2p_exo anti
+A17 : G C3p_endo anti
+A18 : U C3p_endo anti
+A19 : G C3p_endo anti
+A20 : A C3p_endo anti
+A21 : A C3p_endo anti
+A22 : G C3p_endo anti
+A23 : U C3p_endo anti
+A24 : C C3p_endo anti
+A25 : G C3p_endo anti
+A26 : C C3p_endo anti
+A27 : C O4p_endo anti
+A28 : GE1
+A29 : GE2
+A30 : GE3
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A15-A16 : adjacent_5p outward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+A22-A23 : adjacent_5p upward 
+A23-A24 : adjacent_5p upward 
+A25-A26 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-A25 : outward 
+A7-A22 : outward 
+A9-A19 : outward 
+A12-A14 : upward 
+Number of stackings = 22
+Number of adjacent stackings = 18
+Number of non adjacent stackings = 4
+Base-pairs ------------------------------------------------------
+A1-A27 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A26 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A25 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-A24 : G-C Ww/Ww pairing antiparallel cis XIX 
+A6-A22 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-A19 : C-G Ww/Ww pairing antiparallel cis XIX 
+A9-A18 : A-U Ww/Ww pairing antiparallel cis XX 
+A10-A17 : C-G Ww/Ww pairing antiparallel cis XIX 
+A11-A16 : C-G Ww/Ww pairing antiparallel cis XIX 
+A12-A15 : U-G Bs/Ww pairing parallel trans 87 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : C C3p_endo anti
+A4 : G C3p_endo anti
+A5 : U C3p_endo anti
+A6 : C C3p_endo anti
+A7 : A C3p_endo anti
+A8 : C C3p_endo anti
+A9 : A C3p_endo anti
+A10 : C C3p_endo anti
+A11 : C C3p_endo anti
+A12 : U C3p_endo anti
+A13 : U C1p_exo anti
+A14 : C C2p_endo anti
+A15 : G C4p_exo syn
+A16 : G C2p_exo anti
+A17 : G C3p_endo anti
+A18 : U C3p_endo anti
+A19 : G C3p_endo anti
+A20 : A C3p_endo anti
+A21 : A C3p_endo anti
+A22 : G C3p_endo anti
+A23 : U C3p_endo anti
+A24 : C C3p_endo anti
+A25 : G C3p_endo anti
+A26 : C C3p_endo anti
+A27 : C O4p_endo anti
+A28 : GE1
+A29 : GE2
+A30 : GE3
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A15-A16 : adjacent_5p outward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+A22-A23 : adjacent_5p upward 
+A23-A24 : adjacent_5p upward 
+A25-A26 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-A25 : outward 
+A7-A22 : outward 
+A9-A19 : outward 
+A12-A14 : upward 
+Number of stackings = 22
+Number of adjacent stackings = 18
+Number of non adjacent stackings = 4
+Base-pairs ------------------------------------------------------
+A1-A27 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A26 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A25 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-A24 : G-C Ww/Ww pairing antiparallel cis XIX 
+A6-A22 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-A19 : C-G Ww/Ww pairing antiparallel cis XIX 
+A9-A18 : A-U Ww/Ww pairing antiparallel cis XX 
+A10-A17 : C-G Ww/Ww pairing antiparallel cis XIX 
+A11-A16 : C-G Ww/Ww pairing antiparallel cis XIX 
+A12-A15 : U-G Bs/Ww pairing parallel trans 87 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : C C3p_endo anti
+A4 : G C3p_endo anti
+A5 : U C3p_endo anti
+A6 : C C3p_endo anti
+A7 : A C3p_endo anti
+A8 : C C3p_endo anti
+A9 : A C3p_endo anti
+A10 : C C3p_endo anti
+A11 : C C3p_endo anti
+A12 : U C3p_endo anti
+A13 : U C1p_exo anti
+A14 : C C2p_endo anti
+A15 : G C4p_exo syn
+A16 : G C2p_exo anti
+A17 : G C3p_endo anti
+A18 : U C3p_endo anti
+A19 : G C3p_endo anti
+A20 : A C3p_endo anti
+A21 : A C4p_exo anti
+A22 : G C3p_endo anti
+A23 : U C3p_endo anti
+A24 : C C3p_endo anti
+A25 : G C3p_endo anti
+A26 : C C3p_endo anti
+A27 : C O4p_endo anti
+A28 : GE1
+A29 : GE2
+A30 : GE3
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A15-A16 : adjacent_5p outward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A22-A23 : adjacent_5p upward 
+A23-A24 : adjacent_5p upward 
+A25-A26 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-A25 : outward 
+A7-A22 : outward 
+A9-A19 : outward 
+A12-A14 : upward 
+Number of stackings = 22
+Number of adjacent stackings = 18
+Number of non adjacent stackings = 4
+Base-pairs ------------------------------------------------------
+A1-A27 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A26 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A25 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-A24 : G-C Ww/Ww pairing antiparallel cis XIX 
+A6-A22 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-A19 : C-G Ww/Ww pairing antiparallel cis XIX 
+A9-A18 : A-U Ww/Ww pairing antiparallel cis XX 
+A10-A17 : C-G Ww/Ww pairing antiparallel cis XIX 
+A11-A16 : C-G Ww/Ww pairing antiparallel cis XIX 
+A12-A15 : U-G Bs/Ww pairing parallel trans 87 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : C C3p_endo anti
+A4 : G C3p_endo anti
+A5 : U C3p_endo anti
+A6 : C C3p_endo anti
+A7 : A C3p_endo anti
+A8 : C C3p_endo anti
+A9 : A C3p_endo anti
+A10 : C C3p_endo anti
+A11 : C C3p_endo anti
+A12 : U C3p_endo anti
+A13 : U C1p_exo anti
+A14 : C C2p_endo anti
+A15 : G C4p_exo syn
+A16 : G C2p_exo anti
+A17 : G C3p_endo anti
+A18 : U C3p_endo anti
+A19 : G C3p_endo anti
+A20 : A C3p_endo anti
+A21 : A C4p_exo anti
+A22 : G C3p_endo anti
+A23 : U C3p_endo anti
+A24 : C C3p_endo anti
+A25 : G C3p_endo anti
+A26 : C C3p_endo anti
+A27 : C O4p_endo anti
+A28 : GE1
+A29 : GE2
+A30 : GE3
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A15-A16 : adjacent_5p outward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A22-A23 : adjacent_5p upward 
+A23-A24 : adjacent_5p upward 
+A25-A26 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-A25 : outward 
+A7-A22 : outward 
+A9-A19 : outward 
+A12-A14 : upward 
+Number of stackings = 22
+Number of adjacent stackings = 18
+Number of non adjacent stackings = 4
+Base-pairs ------------------------------------------------------
+A1-A27 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A26 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A25 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-A24 : G-C Ww/Ww pairing antiparallel cis XIX 
+A6-A22 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-A19 : C-G Ww/Ww pairing antiparallel cis XIX 
+A9-A18 : A-U Ww/Ww pairing antiparallel cis XX 
+A10-A17 : C-G Ww/Ww pairing antiparallel cis XIX 
+A11-A16 : C-G Ww/Ww pairing antiparallel cis XIX 
+A12-A15 : U-G Bs/Ww pairing parallel trans 87 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : C C3p_endo anti
+A4 : G C3p_endo anti
+A5 : U C3p_endo anti
+A6 : C C3p_endo anti
+A7 : A C3p_endo anti
+A8 : C C3p_endo anti
+A9 : A C3p_endo anti
+A10 : C C3p_endo anti
+A11 : C C3p_endo anti
+A12 : U C3p_endo anti
+A13 : U C1p_exo anti
+A14 : C C2p_endo anti
+A15 : G C4p_exo syn
+A16 : G C2p_exo anti
+A17 : G C3p_endo anti
+A18 : U C3p_endo anti
+A19 : G C3p_endo anti
+A20 : A C3p_endo anti
+A21 : A C3p_endo anti
+A22 : G C3p_endo anti
+A23 : U C3p_endo anti
+A24 : C C3p_endo anti
+A25 : G C3p_endo anti
+A26 : C C3p_endo anti
+A27 : C O4p_endo anti
+A28 : GE1
+A29 : GE2
+A30 : GE3
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A15-A16 : adjacent_5p outward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A22-A23 : adjacent_5p upward 
+A23-A24 : adjacent_5p upward 
+A25-A26 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-A25 : outward 
+A9-A19 : outward 
+A12-A14 : upward 
+Number of stackings = 21
+Number of adjacent stackings = 18
+Number of non adjacent stackings = 3
+Base-pairs ------------------------------------------------------
+A1-A27 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A26 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A25 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-A24 : G-C Ww/Ww pairing antiparallel cis XIX 
+A6-A22 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-A19 : C-G Ww/Ww pairing antiparallel cis XIX 
+A9-A18 : A-U Ww/Ww pairing antiparallel cis XX 
+A10-A17 : C-G Ww/Ww pairing antiparallel cis XIX 
+A11-A16 : C-G Ww/Ww pairing antiparallel cis XIX 
+A12-A15 : U-G Bs/Ww pairing parallel trans 87 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : C C3p_endo anti
+A4 : G C3p_endo anti
+A5 : U C3p_endo anti
+A6 : C C3p_endo anti
+A7 : A C3p_endo anti
+A8 : C C3p_endo anti
+A9 : A C3p_endo anti
+A10 : C C3p_endo anti
+A11 : C C3p_endo anti
+A12 : U C3p_endo anti
+A13 : U C1p_exo anti
+A14 : C C2p_endo anti
+A15 : G C4p_exo syn
+A16 : G C2p_exo anti
+A17 : G C3p_endo anti
+A18 : U C3p_endo anti
+A19 : G C3p_endo anti
+A20 : A C3p_endo anti
+A21 : A C3p_endo anti
+A22 : G C3p_endo anti
+A23 : U C3p_endo anti
+A24 : C C3p_endo anti
+A25 : G C3p_endo anti
+A26 : C C3p_endo anti
+A27 : C O4p_endo anti
+A28 : GE1
+A29 : GE2
+A30 : GE3
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A15-A16 : adjacent_5p outward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+A22-A23 : adjacent_5p upward 
+A23-A24 : adjacent_5p upward 
+A25-A26 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-A25 : outward 
+A7-A22 : outward 
+A9-A19 : outward 
+A12-A14 : upward 
+Number of stackings = 22
+Number of adjacent stackings = 18
+Number of non adjacent stackings = 4
+Base-pairs ------------------------------------------------------
+A1-A27 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A26 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A25 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-A24 : G-C Ww/Ww pairing antiparallel cis XIX 
+A6-A22 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-A19 : C-G Ww/Ww pairing antiparallel cis XIX 
+A9-A18 : A-U Ww/Ww pairing antiparallel cis XX 
+A10-A17 : C-G Ww/Ww pairing antiparallel cis XIX 
+A11-A16 : C-G Ww/Ww pairing antiparallel cis XIX 
+A12-A15 : U-G Bs/Ww pairing parallel trans 87 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : C C3p_endo anti
+A4 : G C3p_endo anti
+A5 : U C3p_endo anti
+A6 : C C3p_endo anti
+A7 : A C3p_endo anti
+A8 : C C3p_endo anti
+A9 : A C3p_endo anti
+A10 : C C3p_endo anti
+A11 : C C3p_endo anti
+A12 : U C3p_endo anti
+A13 : U C1p_exo anti
+A14 : C C2p_endo anti
+A15 : G C4p_exo syn
+A16 : G C2p_exo anti
+A17 : G C3p_endo anti
+A18 : U C3p_endo anti
+A19 : G C3p_endo anti
+A20 : A C3p_endo anti
+A21 : A C4p_exo anti
+A22 : G C3p_endo anti
+A23 : U C3p_endo anti
+A24 : C C3p_endo anti
+A25 : G C3p_endo anti
+A26 : C C3p_endo anti
+A27 : C O4p_endo anti
+A28 : GE1
+A29 : GE2
+A30 : GE3
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A15-A16 : adjacent_5p outward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A22-A23 : adjacent_5p upward 
+A23-A24 : adjacent_5p upward 
+A25-A26 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-A25 : outward 
+A7-A22 : outward 
+A9-A19 : outward 
+A12-A14 : upward 
+Number of stackings = 22
+Number of adjacent stackings = 18
+Number of non adjacent stackings = 4
+Base-pairs ------------------------------------------------------
+A1-A27 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A26 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A25 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-A24 : G-C Ww/Ww pairing antiparallel cis XIX 
+A6-A22 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-A19 : C-G Ww/Ww pairing antiparallel cis XIX 
+A9-A18 : A-U Ww/Ww pairing antiparallel cis XX 
+A10-A17 : C-G Ww/Ww pairing antiparallel cis XIX 
+A11-A16 : C-G Ww/Ww pairing antiparallel cis XIX 
+A12-A15 : U-G Bs/Ww pairing parallel trans 87 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : C C3p_endo anti
+A4 : G C3p_endo anti
+A5 : U C3p_endo anti
+A6 : C C3p_endo anti
+A7 : A C3p_endo anti
+A8 : C C3p_endo anti
+A9 : A C3p_endo anti
+A10 : C C3p_endo anti
+A11 : C C3p_endo anti
+A12 : U C3p_endo anti
+A13 : U C1p_exo anti
+A14 : C C2p_endo anti
+A15 : G C4p_exo syn
+A16 : G C2p_exo anti
+A17 : G C3p_endo anti
+A18 : U C3p_endo anti
+A19 : G C3p_endo anti
+A20 : A C3p_endo anti
+A21 : A C3p_endo anti
+A22 : G C3p_endo anti
+A23 : U C3p_endo anti
+A24 : C C3p_endo anti
+A25 : G C3p_endo anti
+A26 : C C3p_endo anti
+A27 : C O4p_endo anti
+A28 : GE1
+A29 : GE2
+A30 : GE3
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A15-A16 : adjacent_5p outward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+A22-A23 : adjacent_5p upward 
+A23-A24 : adjacent_5p upward 
+A25-A26 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-A25 : outward 
+A7-A22 : outward 
+A9-A19 : outward 
+A12-A14 : upward 
+Number of stackings = 22
+Number of adjacent stackings = 18
+Number of non adjacent stackings = 4
+Base-pairs ------------------------------------------------------
+A1-A27 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A26 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A25 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-A24 : G-C Ww/Ww pairing antiparallel cis XIX 
+A6-A22 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-A19 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-A21 : C-A Ws/Wh pairing antiparallel cis one_hbond 78 
+A9-A18 : A-U Ww/Ww pairing antiparallel cis XX 
+A10-A17 : C-G Ww/Ww pairing antiparallel cis XIX 
+A11-A16 : C-G Ww/Ww pairing antiparallel cis XIX 
+A12-A15 : U-G Bs/Ww pairing parallel trans 87 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : C C3p_endo anti
+A4 : G C3p_endo anti
+A5 : U C3p_endo anti
+A6 : C C3p_endo anti
+A7 : A C3p_endo anti
+A8 : C C3p_endo anti
+A9 : A C3p_endo anti
+A10 : C C3p_endo anti
+A11 : C C3p_endo anti
+A12 : U C3p_endo anti
+A13 : U C1p_exo anti
+A14 : C C2p_endo anti
+A15 : G C4p_exo syn
+A16 : G C2p_exo anti
+A17 : G C3p_endo anti
+A18 : U C3p_endo anti
+A19 : G C3p_endo anti
+A20 : A C2p_endo anti
+A21 : A C4p_exo anti
+A22 : G C3p_endo anti
+A23 : U C3p_endo anti
+A24 : C C3p_endo anti
+A25 : G C3p_endo anti
+A26 : C C3p_endo anti
+A27 : C O4p_endo anti
+A28 : GE1
+A29 : GE2
+A30 : GE3
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A15-A16 : adjacent_5p outward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A21-A22 : adjacent_5p upward 
+A22-A23 : adjacent_5p upward 
+A23-A24 : adjacent_5p upward 
+A25-A26 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-A25 : outward 
+A9-A19 : outward 
+A12-A14 : upward 
+Number of stackings = 22
+Number of adjacent stackings = 19
+Number of non adjacent stackings = 3
+Base-pairs ------------------------------------------------------
+A1-A27 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A26 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A25 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-A24 : G-C Ww/Ww pairing antiparallel cis XIX 
+A6-A22 : C-G Ww/Ww pairing antiparallel cis XIX 
+A7-A21 : A-A Ss/Hw O2'/Bh pairing antiparallel trans one_hbond 41 
+A8-A19 : C-G Ww/Ww pairing antiparallel cis XIX 
+A9-A18 : A-U Ww/Ww pairing antiparallel cis XX 
+A10-A17 : C-G Ww/Ww pairing antiparallel cis XIX 
+A11-A16 : C-G Ww/Ww pairing antiparallel cis XIX 
+A12-A15 : U-G Bs/Ww pairing parallel trans 87 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : C C3p_endo anti
+A4 : G C3p_endo anti
+A5 : U C3p_endo anti
+A6 : C C3p_endo anti
+A7 : A C3p_endo anti
+A8 : C C3p_endo anti
+A9 : A C3p_endo anti
+A10 : C C3p_endo anti
+A11 : C C3p_endo anti
+A12 : U C3p_endo anti
+A13 : U C1p_exo anti
+A14 : C C2p_endo anti
+A15 : G C4p_exo syn
+A16 : G C2p_exo anti
+A17 : G C3p_endo anti
+A18 : U C3p_endo anti
+A19 : G C3p_endo anti
+A20 : A C3p_endo anti
+A21 : A C3p_endo anti
+A22 : G C3p_endo anti
+A23 : U C3p_endo anti
+A24 : C C3p_endo anti
+A25 : G C3p_endo anti
+A26 : C C3p_endo anti
+A27 : C O4p_endo anti
+A28 : GE1
+A29 : GE2
+A30 : GE3
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A15-A16 : adjacent_5p outward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+A22-A23 : adjacent_5p upward 
+A23-A24 : adjacent_5p upward 
+A25-A26 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-A25 : outward 
+A7-A22 : outward 
+A9-A19 : outward 
+A12-A14 : upward 
+Number of stackings = 22
+Number of adjacent stackings = 18
+Number of non adjacent stackings = 4
+Base-pairs ------------------------------------------------------
+A1-A27 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A26 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A25 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-A24 : G-C Ww/Ww pairing antiparallel cis XIX 
+A6-A22 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-A19 : C-G Ww/Ww pairing antiparallel cis XIX 
+A9-A18 : A-U Ww/Ww pairing antiparallel cis XX 
+A10-A17 : C-G Ww/Ww pairing antiparallel cis XIX 
+A11-A16 : C-G Ww/Ww pairing antiparallel cis XIX 
+A12-A15 : U-G Bs/Ww pairing parallel trans 87 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : C C3p_endo anti
+A4 : G C3p_endo anti
+A5 : U C3p_endo anti
+A6 : C C3p_endo anti
+A7 : A C3p_endo anti
+A8 : C C3p_endo anti
+A9 : A C3p_endo anti
+A10 : C C3p_endo anti
+A11 : C C3p_endo anti
+A12 : U C3p_endo anti
+A13 : U C1p_exo anti
+A14 : C C2p_endo anti
+A15 : G C4p_exo syn
+A16 : G C2p_exo anti
+A17 : G C3p_endo anti
+A18 : U C3p_endo anti
+A19 : G C4p_exo anti
+A20 : A C3p_endo anti
+A21 : A C3p_endo anti
+A22 : G C3p_endo anti
+A23 : U C3p_endo anti
+A24 : C C3p_endo anti
+A25 : G C3p_endo anti
+A26 : C C3p_endo anti
+A27 : C O4p_endo anti
+A28 : GE1
+A29 : GE2
+A30 : GE3
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A15-A16 : adjacent_5p outward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A22-A23 : adjacent_5p upward 
+A23-A24 : adjacent_5p upward 
+A25-A26 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-A25 : outward 
+A7-A22 : outward 
+A9-A19 : outward 
+A12-A14 : upward 
+Number of stackings = 21
+Number of adjacent stackings = 17
+Number of non adjacent stackings = 4
+Base-pairs ------------------------------------------------------
+A1-A27 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A26 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A25 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-A24 : G-C Ww/Ww pairing antiparallel cis XIX 
+A6-A22 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-A19 : C-G Ww/Ww pairing antiparallel cis XIX 
+A9-A18 : A-U Ww/Ww pairing antiparallel cis XX 
+A10-A17 : C-G Ww/Ww pairing antiparallel cis XIX 
+A11-A16 : C-G Ww/Ww pairing antiparallel cis XIX 
+A12-A15 : U-G Bs/Ww pairing parallel trans 87 
+A13-A15 : U-G O2'/Hh pairing 
+A19-A20 : G-A O2'/Hh adjacent_5p pairing 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : C C3p_endo anti
+A4 : G C3p_endo anti
+A5 : U C3p_endo anti
+A6 : C C3p_endo anti
+A7 : A C3p_endo anti
+A8 : C C3p_endo anti
+A9 : A C3p_endo anti
+A10 : C C3p_endo anti
+A11 : C C3p_endo anti
+A12 : U C3p_endo anti
+A13 : U C1p_exo anti
+A14 : C C2p_endo anti
+A15 : G C4p_exo syn
+A16 : G C2p_exo anti
+A17 : G C3p_endo anti
+A18 : U C3p_endo anti
+A19 : G C3p_endo anti
+A20 : A C3p_endo anti
+A21 : A C3p_endo anti
+A22 : G C3p_endo anti
+A23 : U C3p_endo anti
+A24 : C C3p_endo anti
+A25 : G C3p_endo anti
+A26 : C C3p_endo anti
+A27 : C O4p_endo anti
+A28 : GE1
+A29 : GE2
+A30 : GE3
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A15-A16 : adjacent_5p outward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A22-A23 : adjacent_5p upward 
+A23-A24 : adjacent_5p upward 
+A25-A26 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-A25 : outward 
+A7-A22 : outward 
+A9-A19 : outward 
+A12-A14 : upward 
+Number of stackings = 22
+Number of adjacent stackings = 18
+Number of non adjacent stackings = 4
+Base-pairs ------------------------------------------------------
+A1-A27 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A26 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A25 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-A24 : G-C Ww/Ww pairing antiparallel cis XIX 
+A6-A22 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-A19 : C-G Ww/Ww pairing antiparallel cis XIX 
+A9-A18 : A-U Ww/Ww pairing antiparallel cis XX 
+A10-A17 : C-G Ww/Ww pairing antiparallel cis XIX 
+A11-A16 : C-G Ww/Ww pairing antiparallel cis XIX 
+A12-A15 : U-G Bs/Ww pairing parallel trans 87 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : C C3p_endo anti
+A4 : G C3p_endo anti
+A5 : U C3p_endo anti
+A6 : C C3p_endo anti
+A7 : A C3p_endo anti
+A8 : C C3p_endo anti
+A9 : A C3p_endo anti
+A10 : C C3p_endo anti
+A11 : C C3p_endo anti
+A12 : U C3p_endo anti
+A13 : U C1p_exo anti
+A14 : C C2p_endo anti
+A15 : G C4p_exo syn
+A16 : G C2p_exo anti
+A17 : G C3p_endo anti
+A18 : U C3p_endo anti
+A19 : G C3p_endo anti
+A20 : A C2p_endo anti
+A21 : A C3p_endo anti
+A22 : G C3p_endo anti
+A23 : U C3p_endo anti
+A24 : C C3p_endo anti
+A25 : G C3p_endo anti
+A26 : C C3p_endo anti
+A27 : C O4p_endo anti
+A28 : GE1
+A29 : GE2
+A30 : GE3
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A15-A16 : adjacent_5p outward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A22-A23 : adjacent_5p upward 
+A23-A24 : adjacent_5p upward 
+A25-A26 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-A25 : outward 
+A7-A22 : outward 
+A9-A19 : outward 
+A12-A14 : upward 
+Number of stackings = 21
+Number of adjacent stackings = 17
+Number of non adjacent stackings = 4
+Base-pairs ------------------------------------------------------
+A1-A27 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A26 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A25 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-A24 : G-C Ww/Ww pairing antiparallel cis XIX 
+A6-A22 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-A19 : C-G Ww/Ww pairing antiparallel cis XIX 
+A9-A18 : A-U Ww/Ww pairing antiparallel cis XX 
+A10-A17 : C-G Ww/Ww pairing antiparallel cis XIX 
+A11-A16 : C-G Ww/Ww pairing antiparallel cis XIX 
+A12-A15 : U-G Bs/Ww pairing parallel trans 87 
+A19-A20 : G-A O2'/Hh adjacent_5p pairing 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : C C3p_endo anti
+A4 : G C3p_endo anti
+A5 : U C3p_endo anti
+A6 : C C3p_endo anti
+A7 : A C3p_endo anti
+A8 : C C3p_endo anti
+A9 : A C3p_endo anti
+A10 : C C3p_endo anti
+A11 : C C3p_endo anti
+A12 : U C3p_endo anti
+A13 : U C1p_exo anti
+A14 : C C2p_endo anti
+A15 : G C4p_exo syn
+A16 : G C2p_exo anti
+A17 : G C3p_endo anti
+A18 : U C3p_endo anti
+A19 : G C3p_endo anti
+A20 : A C3p_endo anti
+A21 : A C3p_endo anti
+A22 : G C3p_endo anti
+A23 : U C3p_endo anti
+A24 : C C3p_endo anti
+A25 : G C3p_endo anti
+A26 : C C3p_endo anti
+A27 : C O4p_endo anti
+A28 : GE1
+A29 : GE2
+A30 : GE3
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A15-A16 : adjacent_5p outward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A22-A23 : adjacent_5p upward 
+A23-A24 : adjacent_5p upward 
+A25-A26 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-A25 : outward 
+A9-A19 : outward 
+A12-A14 : upward 
+Number of stackings = 21
+Number of adjacent stackings = 18
+Number of non adjacent stackings = 3
+Base-pairs ------------------------------------------------------
+A1-A27 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A26 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A25 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-A24 : G-C Ww/Ww pairing antiparallel cis XIX 
+A6-A22 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-A19 : C-G Ww/Ww pairing antiparallel cis XIX 
+A9-A18 : A-U Ww/Ww pairing antiparallel cis XX 
+A10-A17 : C-G Ww/Ww pairing antiparallel cis XIX 
+A11-A16 : C-G Ww/Ww pairing antiparallel cis XIX 
+A12-A15 : U-G Bs/Ww pairing parallel trans 87 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : C C3p_endo anti
+A4 : G C3p_endo anti
+A5 : U C3p_endo anti
+A6 : C C3p_endo anti
+A7 : A C3p_endo anti
+A8 : C C3p_endo anti
+A9 : A C3p_endo anti
+A10 : C C3p_endo anti
+A11 : C C3p_endo anti
+A12 : U C3p_endo anti
+A13 : U C1p_exo anti
+A14 : C C2p_endo anti
+A15 : G C4p_exo syn
+A16 : G C2p_exo anti
+A17 : G C3p_endo anti
+A18 : U C3p_endo anti
+A19 : G C3p_endo anti
+A20 : A C3p_endo anti
+A21 : A C3p_endo anti
+A22 : G C3p_endo anti
+A23 : U C3p_endo anti
+A24 : C C3p_endo anti
+A25 : G C3p_endo anti
+A26 : C C3p_endo anti
+A27 : C O4p_endo anti
+A28 : GE1
+A29 : GE2
+A30 : GE3
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A15-A16 : adjacent_5p outward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A22-A23 : adjacent_5p upward 
+A23-A24 : adjacent_5p upward 
+A25-A26 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-A25 : outward 
+A7-A22 : outward 
+A9-A19 : outward 
+A12-A14 : upward 
+Number of stackings = 22
+Number of adjacent stackings = 18
+Number of non adjacent stackings = 4
+Base-pairs ------------------------------------------------------
+A1-A27 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A26 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A25 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-A24 : G-C Ww/Ww pairing antiparallel cis XIX 
+A6-A22 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-A19 : C-G Ww/Ww pairing antiparallel cis XIX 
+A9-A18 : A-U Ww/Ww pairing antiparallel cis XX 
+A10-A17 : C-G Ww/Ww pairing antiparallel cis XIX 
+A11-A16 : C-G Ww/Ww pairing antiparallel cis XIX 
+A12-A15 : U-G Bs/Ww pairing parallel trans 87 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : C C3p_endo anti
+A4 : G C3p_endo anti
+A5 : U C3p_endo anti
+A6 : C C3p_endo anti
+A7 : A C3p_endo anti
+A8 : C C3p_endo anti
+A9 : A C3p_endo anti
+A10 : C C3p_endo anti
+A11 : C C3p_endo anti
+A12 : U C3p_endo anti
+A13 : U C1p_exo anti
+A14 : C C2p_endo anti
+A15 : G C4p_exo syn
+A16 : G C2p_exo anti
+A17 : G C3p_endo anti
+A18 : U C3p_endo anti
+A19 : G C3p_endo anti
+A20 : A C3p_endo anti
+A21 : A C3p_endo anti
+A22 : G C3p_endo anti
+A23 : U C3p_endo anti
+A24 : C C3p_endo anti
+A25 : G C3p_endo anti
+A26 : C C3p_endo anti
+A27 : C O4p_endo anti
+A28 : GE1
+A29 : GE2
+A30 : GE3
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A15-A16 : adjacent_5p outward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A22-A23 : adjacent_5p upward 
+A23-A24 : adjacent_5p upward 
+A25-A26 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-A25 : outward 
+A7-A22 : outward 
+A9-A19 : outward 
+A12-A14 : upward 
+Number of stackings = 21
+Number of adjacent stackings = 17
+Number of non adjacent stackings = 4
+Base-pairs ------------------------------------------------------
+A1-A27 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A26 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A25 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-A24 : G-C Ww/Ww pairing antiparallel cis XIX 
+A6-A22 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-A19 : C-G Ww/Ww pairing antiparallel cis XIX 
+A9-A18 : A-U Ww/Ww pairing antiparallel cis XX 
+A10-A17 : C-G Ww/Ww pairing antiparallel cis XIX 
+A11-A16 : C-G Ww/Ww pairing antiparallel cis XIX 
+A12-A15 : U-G Bs/Ww pairing parallel trans 87 
diff --git a/MCdata/1byx_MC b/MCdata/1byx_MC
new file mode 100644
index 0000000000000000000000000000000000000000..b9b7f1c3846685edec3f1fa0f9ec0740ef16c05a
--- /dev/null
+++ b/MCdata/1byx_MC
@@ -0,0 +1,832 @@
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : C C3p_endo anti
+A3 : A C2p_exo anti
+A4 : G C2p_exo anti
+A5 : U C3p_endo anti
+A6 : G C3p_endo anti
+A7 : G C3p_endo anti
+A8 : C C2p_exo anti
+B101 : G C2p_exo anti
+B102 : C C3p_endo anti
+B103 : C C3p_endo anti
+B104 : A C2p_exo anti
+B105 : C C3p_endo anti
+B106 : T C3p_endo anti
+B107 : G C2p_endo anti
+B108 : C C3p_exo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p inward 
+B103-B104 : adjacent_5p upward 
+B104-B105 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A3-B107 : outward 
+A6-B104 : outward 
+Number of stackings = 11
+Number of adjacent stackings = 9
+Number of non adjacent stackings = 2
+Base-pairs ------------------------------------------------------
+A2-B107 : C-G Ww/Ww pairing antiparallel cis XIX 
+A3-B106 : A-T Ww/Ww pairing antiparallel cis 
+A4-B105 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-B104 : U-A Ww/Ww pairing antiparallel cis XX 
+A6-B103 : G-C Ww/Ww pairing antiparallel cis XIX 
+A7-B102 : G-C Ww/Ww pairing antiparallel cis XIX 
+Residue conformations -------------------------------------------
+A1 : G C2p_exo anti
+A2 : C C3p_endo anti
+A3 : A C3p_endo anti
+A4 : G C2p_exo anti
+A5 : U C3p_endo anti
+A6 : G C3p_endo anti
+A7 : G C2p_exo anti
+A8 : C C2p_exo anti
+B101 : G C3p_endo anti
+B102 : C C3p_endo anti
+B103 : C C3p_endo anti
+B104 : A C3p_endo anti
+B105 : C C3p_endo anti
+B106 : T C3p_endo anti
+B107 : G C2p_endo anti
+B108 : C C3p_exo anti
+Adjacent stackings ----------------------------------------------
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p inward 
+B101-B102 : adjacent_5p upward 
+B102-B103 : adjacent_5p upward 
+B103-B104 : adjacent_5p upward 
+B104-B105 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A3-B107 : outward 
+A6-B104 : outward 
+Number of stackings = 12
+Number of adjacent stackings = 10
+Number of non adjacent stackings = 2
+Base-pairs ------------------------------------------------------
+A2-B107 : C-G Ww/Ww pairing antiparallel cis XIX 
+A3-B106 : A-T Ww/Ww pairing antiparallel cis 
+A4-B105 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-B104 : U-A Ww/Ww pairing antiparallel cis XX 
+A6-B103 : G-C Ww/Ww pairing antiparallel cis XIX 
+A7-B102 : G-C Ww/Ww pairing antiparallel cis XIX 
+A8-B101 : C-G Ww/Ws pairing parallel trans one_hbond 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : C C3p_endo anti
+A3 : A C3p_endo anti
+A4 : G C2p_exo anti
+A5 : U C3p_endo anti
+A6 : G C3p_endo anti
+A7 : G C2p_exo anti
+A8 : C C3p_endo anti
+B101 : G C1p_endo syn
+B102 : C C2p_exo anti
+B103 : C C3p_endo anti
+B104 : A C3p_endo anti
+B105 : C C3p_endo anti
+B106 : T C3p_endo anti
+B107 : G C2p_endo anti
+B108 : C C2p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+B102-B103 : adjacent_5p upward 
+B104-B105 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A3-B107 : outward 
+A6-B104 : outward 
+Number of stackings = 10
+Number of adjacent stackings = 8
+Number of non adjacent stackings = 2
+Base-pairs ------------------------------------------------------
+A2-B107 : C-G Ww/Ww pairing antiparallel cis XIX 
+A3-B106 : A-T Ww/Ww pairing antiparallel cis 
+A4-B105 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-B104 : U-A Ww/Ww pairing antiparallel cis XX 
+A6-B103 : G-C Ww/Ww pairing antiparallel cis XIX 
+A7-B102 : G-C Ww/Ww pairing antiparallel cis XIX 
+Residue conformations -------------------------------------------
+A1 : G C2p_exo anti
+A2 : C C3p_endo anti
+A3 : A C3p_endo anti
+A4 : G C2p_exo anti
+A5 : U C3p_endo anti
+A6 : G C3p_endo anti
+A7 : G C3p_endo anti
+A8 : C C3p_endo anti
+B101 : G C2p_exo syn
+B102 : C C3p_endo anti
+B103 : C C3p_endo anti
+B104 : A C3p_endo anti
+B105 : C C3p_endo anti
+B106 : T C3p_endo anti
+B107 : G C2p_endo anti
+B108 : C C2p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+B102-B103 : adjacent_5p upward 
+B103-B104 : adjacent_5p upward 
+B104-B105 : adjacent_5p upward 
+B105-B106 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A3-B107 : outward 
+A6-B104 : outward 
+Number of stackings = 13
+Number of adjacent stackings = 11
+Number of non adjacent stackings = 2
+Base-pairs ------------------------------------------------------
+A2-B107 : C-G Ww/Ww pairing antiparallel cis XIX 
+A3-B106 : A-T Ww/Ww pairing antiparallel cis 
+A4-B105 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-B104 : U-A Ww/Ww pairing antiparallel cis XX 
+A6-B103 : G-C Ww/Ww pairing antiparallel cis XIX 
+A7-B102 : G-C Ww/Ww pairing antiparallel cis XIX 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : C C3p_endo anti
+A3 : A C2p_exo anti
+A4 : G C2p_exo anti
+A5 : U C3p_endo anti
+A6 : G C3p_endo anti
+A7 : G C3p_endo anti
+A8 : C C3p_endo anti
+B101 : G C3p_endo anti
+B102 : C C2p_exo anti
+B103 : C C3p_endo anti
+B104 : A C3p_endo anti
+B105 : C C3p_endo anti
+B106 : T C3p_endo anti
+B107 : G C2p_endo anti
+B108 : C C3p_exo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+B101-B102 : adjacent_5p upward 
+B102-B103 : adjacent_5p upward 
+B103-B104 : adjacent_5p upward 
+B104-B105 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A3-B107 : outward 
+A6-B104 : outward 
+Number of stackings = 12
+Number of adjacent stackings = 10
+Number of non adjacent stackings = 2
+Base-pairs ------------------------------------------------------
+A2-B107 : C-G Ww/Ww pairing antiparallel cis XIX 
+A3-B106 : A-T Ww/Ww pairing antiparallel cis 
+A4-B105 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-B104 : U-A Ww/Ww pairing antiparallel cis XX 
+A6-B103 : G-C Ww/Ww pairing antiparallel cis XIX 
+A7-A8 : G-C O2P/Bh adjacent_5p pairing 
+A7-B102 : G-C Ww/Ww pairing antiparallel cis XIX 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : C C3p_endo anti
+A3 : A C2p_exo anti
+A4 : G C2p_exo anti
+A5 : U C3p_endo anti
+A6 : G C3p_endo anti
+A7 : G C3p_endo anti
+A8 : C C3p_endo anti
+B101 : G C3p_endo anti
+B102 : C C2p_exo anti
+B103 : C C3p_endo anti
+B104 : A C3p_endo anti
+B105 : C C3p_endo anti
+B106 : T C3p_endo anti
+B107 : G C2p_endo anti
+B108 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+B101-B102 : adjacent_5p upward 
+B102-B103 : adjacent_5p upward 
+B104-B105 : adjacent_5p upward 
+B105-B106 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A3-B107 : outward 
+A6-B104 : outward 
+Number of stackings = 12
+Number of adjacent stackings = 10
+Number of non adjacent stackings = 2
+Base-pairs ------------------------------------------------------
+A2-B107 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-B105 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-B104 : U-A Ww/Ww pairing antiparallel cis XX 
+A6-B103 : G-C Ww/Ww pairing antiparallel cis 
+A7-A8 : G-C O2P/Bh adjacent_5p pairing 
+A7-B102 : G-C Ww/Ww pairing antiparallel cis XIX 
+Residue conformations -------------------------------------------
+A1 : G C2p_exo syn
+A2 : C C2p_exo anti
+A3 : A C3p_endo anti
+A4 : G C2p_exo anti
+A5 : U C3p_endo anti
+A6 : G C3p_endo anti
+A7 : G C2p_exo anti
+A8 : C C3p_endo anti
+B101 : G C2p_exo anti
+B102 : C C3p_endo anti
+B103 : C C3p_endo anti
+B104 : A C3p_endo anti
+B105 : C C3p_endo anti
+B106 : T C3p_endo anti
+B107 : G C2p_endo anti
+B108 : C C3p_exo anti
+Adjacent stackings ----------------------------------------------
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+B101-B102 : adjacent_5p upward 
+B102-B103 : adjacent_5p upward 
+B103-B104 : adjacent_5p upward 
+B104-B105 : adjacent_5p upward 
+B105-B106 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A3-B107 : outward 
+A6-B104 : outward 
+Number of stackings = 11
+Number of adjacent stackings = 9
+Number of non adjacent stackings = 2
+Base-pairs ------------------------------------------------------
+A2-B107 : C-G Ww/Ww pairing antiparallel cis 
+A3-B106 : A-T Ww/Ww pairing antiparallel cis 
+A4-B105 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-B104 : U-A Ww/Ww pairing antiparallel cis XX 
+A6-B103 : G-C Ww/Ww pairing antiparallel cis XIX 
+A7-A8 : G-C O2P/Bh adjacent_5p pairing 
+A7-B102 : G-C Ww/Ww pairing antiparallel cis XIX 
+Residue conformations -------------------------------------------
+A1 : G C2p_exo anti
+A2 : C C3p_endo anti
+A3 : A C3p_endo anti
+A4 : G C2p_exo anti
+A5 : U C3p_endo anti
+A6 : G C3p_endo anti
+A7 : G C2p_exo anti
+A8 : C C3p_endo anti
+B101 : G C2p_exo anti
+B102 : C C3p_endo anti
+B103 : C C3p_endo anti
+B104 : A C3p_endo anti
+B105 : C C3p_endo anti
+B106 : T C3p_endo anti
+B107 : G C2p_endo anti
+B108 : C C2p_exo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p inward 
+B102-B103 : adjacent_5p upward 
+B103-B104 : adjacent_5p upward 
+B104-B105 : adjacent_5p upward 
+B105-B106 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A3-B107 : outward 
+A6-B104 : outward 
+Number of stackings = 13
+Number of adjacent stackings = 11
+Number of non adjacent stackings = 2
+Base-pairs ------------------------------------------------------
+A2-B107 : C-G Ww/Ww pairing antiparallel cis XIX 
+A3-B106 : A-T Ww/Ww pairing antiparallel cis 
+A4-B105 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-B104 : U-A Ww/Ww pairing antiparallel cis XX 
+A6-B103 : G-C Ww/Ww pairing antiparallel cis XIX 
+A7-B102 : G-C Ww/Ww pairing antiparallel cis XIX 
+Residue conformations -------------------------------------------
+A1 : G C2p_exo anti
+A2 : C C3p_endo anti
+A3 : A C3p_endo anti
+A4 : G C2p_exo anti
+A5 : U C3p_endo anti
+A6 : G C3p_endo anti
+A7 : G C2p_exo anti
+A8 : C C2p_exo anti
+B101 : G C1p_endo syn
+B102 : C C3p_endo anti
+B103 : C C3p_endo anti
+B104 : A C3p_endo anti
+B105 : C C3p_endo anti
+B106 : T C3p_endo anti
+B107 : G C2p_endo anti
+B108 : C C2p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p inward 
+B102-B103 : adjacent_5p upward 
+B104-B105 : adjacent_5p upward 
+B106-B107 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A3-B107 : outward 
+A6-B104 : outward 
+Number of stackings = 12
+Number of adjacent stackings = 10
+Number of non adjacent stackings = 2
+Base-pairs ------------------------------------------------------
+A2-B107 : C-G Ww/Ww pairing antiparallel cis XIX 
+A3-B106 : A-T Ww/Ww pairing antiparallel cis 
+A4-B105 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-B104 : U-A Ww/Ww pairing antiparallel cis XX 
+A6-B103 : G-C Ww/Ww pairing antiparallel cis XIX 
+A7-B102 : G-C Ww/Ww pairing antiparallel cis XIX 
+Residue conformations -------------------------------------------
+A1 : G C1p_endo anti
+A2 : C C3p_endo anti
+A3 : A C2p_exo anti
+A4 : G C2p_exo anti
+A5 : U C3p_endo anti
+A6 : G C3p_endo anti
+A7 : G C3p_endo anti
+A8 : C C3p_endo anti
+B101 : G C3p_endo anti
+B102 : C C3p_endo anti
+B103 : C C3p_endo anti
+B104 : A C3p_endo anti
+B105 : C C3p_endo anti
+B106 : T C3p_endo anti
+B107 : G C2p_endo anti
+B108 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+B101-B102 : adjacent_5p upward 
+B102-B103 : adjacent_5p upward 
+B103-B104 : adjacent_5p upward 
+B104-B105 : adjacent_5p upward 
+B105-B106 : adjacent_5p upward 
+B107-B108 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A3-B107 : outward 
+A6-B104 : outward 
+Number of stackings = 14
+Number of adjacent stackings = 12
+Number of non adjacent stackings = 2
+Base-pairs ------------------------------------------------------
+A1-B108 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-B107 : C-G Ww/Ww pairing antiparallel cis XIX 
+A3-B106 : A-T Ww/Ww pairing antiparallel cis 
+A4-B105 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-B104 : U-A Ww/Ww pairing antiparallel cis 
+A6-B103 : G-C Ww/Ww pairing antiparallel cis XIX 
+A7-B102 : G-C Ww/Ww pairing antiparallel cis XIX 
+Residue conformations -------------------------------------------
+A1 : G C1p_endo syn
+A2 : C C3p_endo anti
+A3 : A C2p_exo anti
+A4 : G C2p_exo anti
+A5 : U C3p_endo anti
+A6 : G C3p_endo anti
+A7 : G C3p_endo anti
+A8 : C C3p_endo anti
+B101 : G C3p_endo anti
+B102 : C C2p_exo anti
+B103 : C C3p_endo anti
+B104 : A C3p_endo anti
+B105 : C C3p_endo anti
+B106 : T C3p_endo anti
+B107 : G C2p_endo anti
+B108 : C C2p_endo anti
+Adjacent stackings ----------------------------------------------
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+B101-B102 : adjacent_5p upward 
+B102-B103 : adjacent_5p upward 
+B103-B104 : adjacent_5p upward 
+B104-B105 : adjacent_5p upward 
+B105-B106 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A3-B107 : outward 
+A6-B104 : outward 
+Number of stackings = 12
+Number of adjacent stackings = 10
+Number of non adjacent stackings = 2
+Base-pairs ------------------------------------------------------
+A2-B107 : C-G Ww/Ww pairing antiparallel cis XIX 
+A3-B106 : A-T Ww/Ww pairing antiparallel cis 
+A4-B105 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-B104 : U-A Ww/Ww pairing antiparallel cis XX 
+A6-B103 : G-C Ww/Ww pairing antiparallel cis XIX 
+A7-B102 : G-C Ww/Ww pairing antiparallel cis XIX 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : C C3p_endo anti
+A3 : A C2p_exo anti
+A4 : G C2p_exo anti
+A5 : U C3p_endo anti
+A6 : G C3p_endo anti
+A7 : G C2p_exo anti
+A8 : C C3p_endo anti
+B101 : G C2p_exo anti
+B102 : C C3p_endo anti
+B103 : C C3p_endo anti
+B104 : A C2p_exo anti
+B105 : C C3p_endo anti
+B106 : T C3p_endo anti
+B107 : G C2p_endo anti
+B108 : C C2p_endo anti
+Adjacent stackings ----------------------------------------------
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward pairing 
+B101-B102 : adjacent_5p upward 
+B102-B103 : adjacent_5p upward 
+B104-B105 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A3-B107 : outward 
+A6-B104 : outward 
+Number of stackings = 11
+Number of adjacent stackings = 9
+Number of non adjacent stackings = 2
+Base-pairs ------------------------------------------------------
+A2-B107 : C-G Ww/Ww pairing antiparallel cis XIX 
+A3-B106 : A-T Ww/Ww pairing antiparallel cis 
+A4-B105 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-B104 : U-A Ww/Ww pairing antiparallel cis XX 
+A6-B103 : G-C Ww/Ww pairing antiparallel cis XIX 
+A7-A8 : G-C O2P/Bh adjacent_5p upward pairing 
+A7-B102 : G-C Ww/Ww pairing antiparallel cis XIX 
+Residue conformations -------------------------------------------
+A1 : G C2p_exo anti
+A2 : C C3p_endo anti
+A3 : A C2p_exo anti
+A4 : G C2p_exo anti
+A5 : U C3p_endo anti
+A6 : G C3p_endo anti
+A7 : G C3p_endo anti
+A8 : C C3p_endo anti
+B101 : G C2p_exo anti
+B102 : C C3p_endo anti
+B103 : C C3p_endo anti
+B104 : A C2p_exo anti
+B105 : C C3p_endo anti
+B106 : T C3p_endo anti
+B107 : G C2p_endo anti
+B108 : C C2p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward pairing 
+B101-B102 : adjacent_5p upward 
+B102-B103 : adjacent_5p upward 
+B104-B105 : adjacent_5p upward 
+B105-B106 : adjacent_5p upward 
+B107-B108 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A3-B107 : outward 
+A6-B104 : outward 
+Number of stackings = 14
+Number of adjacent stackings = 12
+Number of non adjacent stackings = 2
+Base-pairs ------------------------------------------------------
+A1-B108 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-B107 : C-G Ww/Ww pairing antiparallel cis XIX 
+A3-B106 : A-T Ww/Ws pairing antiparallel cis 
+A4-B105 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-B104 : U-A Ww/Ww pairing antiparallel cis XX 
+A6-B103 : G-C Ww/Ww pairing antiparallel cis XIX 
+A7-A8 : G-C O2P/Bh adjacent_5p upward pairing 
+A7-B102 : G-C Ww/Ww pairing antiparallel cis XIX 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : C C3p_endo anti
+A3 : A C3p_endo anti
+A4 : G C2p_exo anti
+A5 : U C3p_endo anti
+A6 : G C3p_endo anti
+A7 : G C2p_exo anti
+A8 : C C3p_endo anti
+B101 : G C1p_endo syn
+B102 : C C3p_endo anti
+B103 : C C3p_endo anti
+B104 : A C3p_endo anti
+B105 : C C3p_endo anti
+B106 : T C3p_endo anti
+B107 : G C2p_endo anti
+B108 : C C2p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+B102-B103 : adjacent_5p upward 
+B104-B105 : adjacent_5p upward 
+B105-B106 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A3-B107 : outward 
+A6-B104 : outward 
+Number of stackings = 11
+Number of adjacent stackings = 9
+Number of non adjacent stackings = 2
+Base-pairs ------------------------------------------------------
+A2-B107 : C-G Ww/Ww pairing antiparallel cis XIX 
+A3-B106 : A-T Ww/Ww pairing antiparallel cis 
+A4-B105 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-B104 : U-A Ww/Ww pairing antiparallel cis XX 
+A6-B103 : G-C Ww/Ww pairing antiparallel cis XIX 
+A7-B102 : G-C Ww/Ww pairing antiparallel cis XIX 
+Residue conformations -------------------------------------------
+A1 : G C2p_exo anti
+A2 : C C3p_endo anti
+A3 : A C2p_exo anti
+A4 : G C2p_exo anti
+A5 : U C3p_endo anti
+A6 : G C3p_endo anti
+A7 : G C2p_exo anti
+A8 : C C3p_endo anti
+B101 : G C2p_exo anti
+B102 : C C3p_endo anti
+B103 : C C3p_endo anti
+B104 : A C3p_endo anti
+B105 : C C3p_endo anti
+B106 : T C3p_endo anti
+B107 : G C3p_endo anti
+B108 : C C3p_exo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p inward 
+B102-B103 : adjacent_5p upward 
+B103-B104 : adjacent_5p upward 
+B104-B105 : adjacent_5p upward 
+B105-B106 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A3-B107 : outward 
+A6-B104 : outward 
+Number of stackings = 12
+Number of adjacent stackings = 10
+Number of non adjacent stackings = 2
+Base-pairs ------------------------------------------------------
+A1-B108 : G-C Ws/Ww pairing antiparallel cis one_hbond 
+A2-B107 : C-G Ww/Ww pairing antiparallel cis XIX 
+A3-B106 : A-T Ww/Ww pairing antiparallel cis 
+A4-B105 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-B104 : U-A Ww/Ww pairing antiparallel cis XX 
+A6-B103 : G-C Ww/Ww pairing antiparallel cis XIX 
+A7-B102 : G-C Ww/Ww pairing antiparallel cis XIX 
+Residue conformations -------------------------------------------
+A1 : G C2p_exo anti
+A2 : C C3p_endo anti
+A3 : A C3p_endo anti
+A4 : G C2p_exo anti
+A5 : U C3p_endo anti
+A6 : G C3p_endo anti
+A7 : G C2p_exo anti
+A8 : C C3p_endo anti
+B101 : G C3p_endo anti
+B102 : C C3p_endo anti
+B103 : C C3p_endo anti
+B104 : A C3p_endo anti
+B105 : C C3p_endo anti
+B106 : T C3p_endo anti
+B107 : G C2p_endo anti
+B108 : C O4p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p inward 
+B102-B103 : adjacent_5p upward 
+B103-B104 : adjacent_5p upward 
+B104-B105 : adjacent_5p upward 
+B105-B106 : adjacent_5p upward 
+B107-B108 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A3-B107 : outward 
+A6-B104 : outward 
+Number of stackings = 14
+Number of adjacent stackings = 12
+Number of non adjacent stackings = 2
+Base-pairs ------------------------------------------------------
+A2-B107 : C-G Ww/Ww pairing antiparallel cis XIX 
+A3-B106 : A-T Ww/Ww pairing antiparallel cis 
+A4-B105 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-B104 : U-A Ww/Ww pairing antiparallel cis XX 
+A6-B103 : G-C Ww/Ww pairing antiparallel cis XIX 
+A7-B102 : G-C Ww/Ww pairing antiparallel cis XIX 
+Residue conformations -------------------------------------------
+A1 : G C2p_exo anti
+A2 : C C3p_endo anti
+A3 : A C2p_exo anti
+A4 : G C2p_exo anti
+A5 : U C3p_endo anti
+A6 : G C3p_endo anti
+A7 : G C2p_exo anti
+A8 : C C3p_endo anti
+B101 : G C1p_endo syn
+B102 : C C3p_endo anti
+B103 : C C3p_endo anti
+B104 : A C3p_endo anti
+B105 : C C3p_endo anti
+B106 : T C3p_endo anti
+B107 : G C3p_endo anti
+B108 : C C2p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p inward 
+B102-B103 : adjacent_5p upward 
+B103-B104 : adjacent_5p upward 
+B104-B105 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A3-B107 : outward 
+A6-B104 : outward 
+Number of stackings = 12
+Number of adjacent stackings = 10
+Number of non adjacent stackings = 2
+Base-pairs ------------------------------------------------------
+A2-B107 : C-G Ww/Ww pairing antiparallel cis XIX 
+A3-B106 : A-T Ww/Ww pairing antiparallel cis 
+A4-B105 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-B104 : U-A Ww/Ww pairing antiparallel cis XX 
+A6-B103 : G-C Ww/Ww pairing antiparallel cis XIX 
+A7-B102 : G-C Ww/Ww pairing antiparallel cis XIX 
+Residue conformations -------------------------------------------
+A1 : G C2p_exo syn
+A2 : C C3p_endo anti
+A3 : A C3p_endo anti
+A4 : G C3p_endo anti
+A5 : U C3p_endo anti
+A6 : G C3p_endo anti
+A7 : G C2p_exo anti
+A8 : C C2p_exo anti
+B101 : G C1p_endo syn
+B102 : C C3p_endo anti
+B103 : C C3p_endo anti
+B104 : A C3p_endo anti
+B105 : C C3p_endo anti
+B106 : T C3p_endo anti
+B107 : G C2p_endo anti
+B108 : C C1p_endo anti
+Adjacent stackings ----------------------------------------------
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p inward 
+B102-B103 : adjacent_5p upward 
+B103-B104 : adjacent_5p upward 
+B104-B105 : adjacent_5p upward 
+B105-B106 : adjacent_5p upward 
+B106-B107 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A3-B107 : outward 
+A6-B104 : outward 
+Number of stackings = 13
+Number of adjacent stackings = 11
+Number of non adjacent stackings = 2
+Base-pairs ------------------------------------------------------
+A2-B107 : C-G Ww/Ww pairing antiparallel cis XIX 
+A3-B106 : A-T Ww/Ww pairing antiparallel cis 
+A4-B105 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-B104 : U-A Ww/Ww pairing antiparallel cis XX 
+A6-B103 : G-C Ww/Ww pairing antiparallel cis XIX 
+A7-B102 : G-C Ww/Ww pairing antiparallel cis XIX 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : C C3p_endo anti
+A3 : A C3p_endo anti
+A4 : G C2p_exo anti
+A5 : U C3p_endo anti
+A6 : G C3p_endo anti
+A7 : G C3p_endo anti
+A8 : C C3p_endo anti
+B101 : G C1p_endo syn
+B102 : C C3p_endo anti
+B103 : C C3p_endo anti
+B104 : A C3p_endo anti
+B105 : C C3p_endo anti
+B106 : T C3p_endo anti
+B107 : G C2p_endo anti
+B108 : C C2p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+B102-B103 : adjacent_5p upward 
+B103-B104 : adjacent_5p upward 
+B104-B105 : adjacent_5p upward 
+B105-B106 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A3-B107 : outward 
+A6-B104 : outward 
+Number of stackings = 12
+Number of adjacent stackings = 10
+Number of non adjacent stackings = 2
+Base-pairs ------------------------------------------------------
+A2-B107 : C-G Ww/Ww pairing antiparallel cis XIX 
+A3-B106 : A-T Ww/Ww pairing antiparallel cis 
+A4-B105 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-B104 : U-A Ww/Ww pairing antiparallel cis XX 
+A6-B103 : G-C Ww/Ww pairing antiparallel cis XIX 
+A7-B102 : G-C Ww/Ww pairing antiparallel cis XIX 
+Residue conformations -------------------------------------------
+A1 : G C2p_exo anti
+A2 : C C3p_endo anti
+A3 : A C3p_endo anti
+A4 : G C2p_exo anti
+A5 : U C3p_endo anti
+A6 : G C3p_endo anti
+A7 : G C3p_endo anti
+A8 : C C3p_endo anti
+B101 : G C2p_exo anti
+B102 : C C3p_endo anti
+B103 : C C3p_endo anti
+B104 : A C3p_endo anti
+B105 : C C3p_endo anti
+B106 : T C3p_endo anti
+B107 : G C2p_endo anti
+B108 : C C2p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+B101-B102 : adjacent_5p upward 
+B102-B103 : adjacent_5p upward 
+B103-B104 : adjacent_5p upward 
+B104-B105 : adjacent_5p upward 
+B105-B106 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A3-B107 : outward 
+A6-B104 : outward 
+Number of stackings = 13
+Number of adjacent stackings = 11
+Number of non adjacent stackings = 2
+Base-pairs ------------------------------------------------------
+A2-B107 : C-G Ww/Ww pairing antiparallel cis XIX 
+A3-B106 : A-T Ww/Ww pairing antiparallel cis 
+A4-B105 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-B104 : U-A Ww/Ww pairing antiparallel cis XX 
+A6-B103 : G-C Ww/Ww pairing antiparallel cis XIX 
+A7-B102 : G-C Ww/Ww pairing antiparallel cis XIX 
diff --git a/MCdata/1bz2_MC b/MCdata/1bz2_MC
new file mode 100644
index 0000000000000000000000000000000000000000..8f702ee2fa0bfb5d5ae9cf9d8a9344ca21bba8d4
--- /dev/null
+++ b/MCdata/1bz2_MC
@@ -0,0 +1,43 @@
+Residue conformations -------------------------------------------
+A27 : U C3p_endo anti
+A28 : C C3p_endo anti
+A29 : A C3p_endo anti
+A30 : G C3p_endo anti
+A31 : A C3p_endo anti
+A32 : C C3p_endo anti
+A33 : U C4p_exo anti
+A34 : U O4p_endo anti
+A35 : U C1p_exo anti
+A36 : U O4p_endo anti
+A37 : A O4p_endo anti
+A38 : A C3p_endo anti
+A39 : U C3p_endo anti
+A40 : C C3p_endo anti
+A41 : U C3p_endo anti
+A42 : G C3p_endo anti
+A43 : A C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A27-A28 : adjacent_5p upward 
+A28-A29 : adjacent_5p upward 
+A29-A30 : adjacent_5p upward 
+A30-A31 : adjacent_5p upward 
+A31-A32 : adjacent_5p upward 
+A32-A33 : adjacent_5p upward 
+A38-A39 : adjacent_5p upward 
+A39-A40 : adjacent_5p upward 
+A40-A41 : adjacent_5p upward 
+A41-A42 : adjacent_5p upward 
+A42-A43 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A29-A42 : outward 
+Number of stackings = 12
+Number of adjacent stackings = 11
+Number of non adjacent stackings = 1
+Base-pairs ------------------------------------------------------
+A27-A43 : U-A Ww/Ww pairing antiparallel cis XX 
+A28-A42 : C-G Ww/Ww pairing antiparallel cis XIX 
+A29-A41 : A-U Ww/Ww pairing antiparallel cis XX 
+A30-A40 : G-C Ww/Ww pairing antiparallel cis XIX 
+A31-A39 : A-U Ww/Ww pairing antiparallel cis XX 
+A32-A38 : C-A Ww/Wh pairing antiparallel cis one_hbond 75 
+A36-A37 : U-A O2P/Hh O2P/Hh adjacent_5p pairing 
diff --git a/MCdata/1bz3_MC b/MCdata/1bz3_MC
new file mode 100644
index 0000000000000000000000000000000000000000..99581fe906ddf8f377989cab958e931d1e4eb5ea
--- /dev/null
+++ b/MCdata/1bz3_MC
@@ -0,0 +1,43 @@
+Residue conformations -------------------------------------------
+A27 : U C3p_endo anti
+A28 : C C3p_endo anti
+A29 : A C3p_endo anti
+A30 : G C3p_endo anti
+A31 : A C3p_endo anti
+A32 : C C3p_endo anti
+A33 : U O4p_endo anti
+A34 : U C1p_exo anti
+A35 : U C1p_exo anti
+A36 : U C2p_endo anti
+A37 : A C4p_exo anti
+A38 : A C3p_endo anti
+A39 : U C3p_endo anti
+A40 : C C3p_endo anti
+A41 : U C3p_endo anti
+A42 : G C3p_endo anti
+A43 : A C4p_exo anti
+Adjacent stackings ----------------------------------------------
+A27-A28 : adjacent_5p upward 
+A28-A29 : adjacent_5p upward 
+A29-A30 : adjacent_5p upward 
+A30-A31 : adjacent_5p upward 
+A31-A32 : adjacent_5p upward 
+A32-A33 : adjacent_5p upward 
+A37-A38 : adjacent_5p upward 
+A38-A39 : adjacent_5p upward 
+A39-A40 : adjacent_5p upward 
+A40-A41 : adjacent_5p upward 
+A42-A43 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A29-A42 : outward 
+Number of stackings = 12
+Number of adjacent stackings = 11
+Number of non adjacent stackings = 1
+Base-pairs ------------------------------------------------------
+A27-A43 : U-A Ww/Ww pairing antiparallel cis XX 
+A28-A42 : C-G Ww/Ww pairing antiparallel cis XIX 
+A29-A41 : A-U Ww/Ww pairing antiparallel cis one_hbond 
+A30-A40 : G-C Ww/Ww pairing antiparallel cis XIX 
+A31-A39 : A-U Ww/Ww pairing antiparallel cis XX 
+A32-A38 : C-A Ww/Ww pairing antiparallel cis 75 
+A33-A37 : U-A Ww/Ww pairing antiparallel cis one_hbond 
diff --git a/MCdata/1bzt_MC b/MCdata/1bzt_MC
new file mode 100644
index 0000000000000000000000000000000000000000..97248018f67dcd4487700eefbd8704f75d6965ed
--- /dev/null
+++ b/MCdata/1bzt_MC
@@ -0,0 +1,36 @@
+Residue conformations -------------------------------------------
+A27 : U C3p_endo anti
+A28 : C C3p_endo anti
+A29 : A C3p_endo anti
+A30 : G C3p_endo anti
+A31 : A C3p_endo anti
+A32 : C C3p_endo anti
+A33 : U O4p_endo anti
+A34 : U O4p_endo anti
+A35 : U C1p_exo anti
+A36 : U C1p_exo anti
+A37 : A O4p_endo anti
+A38 : A C3p_endo anti
+A39 : PSU
+A40 : C C3p_endo anti
+A41 : U C3p_endo anti
+A42 : G C3p_endo anti
+A43 : A C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A29-A30 : adjacent_5p upward 
+A30-A31 : adjacent_5p upward 
+A31-A32 : adjacent_5p upward 
+A32-A33 : adjacent_5p upward 
+A42-A43 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A29-A42 : outward 
+A30-A41 : outward 
+Number of stackings = 7
+Number of adjacent stackings = 5
+Number of non adjacent stackings = 2
+Base-pairs ------------------------------------------------------
+A27-A43 : U-A Ww/Ww pairing antiparallel cis XX 
+A28-A42 : C-G Ww/Ww pairing antiparallel cis XIX 
+A29-A41 : A-U Ww/Ww pairing antiparallel cis XX 
+A30-A40 : G-C Ww/Ww pairing antiparallel cis XIX 
+A32-A38 : C-A Ww/Ww pairing antiparallel cis 75 
diff --git a/MCdata/1bzu_MC b/MCdata/1bzu_MC
new file mode 100644
index 0000000000000000000000000000000000000000..4dbbb0ff624f27edb6813f173be266e664dd4986
--- /dev/null
+++ b/MCdata/1bzu_MC
@@ -0,0 +1,36 @@
+Residue conformations -------------------------------------------
+A27 : U C3p_endo anti
+A28 : C C3p_endo anti
+A29 : A C3p_endo anti
+A30 : G C3p_endo anti
+A31 : A C3p_endo anti
+A32 : C C3p_endo anti
+A33 : U C4p_exo anti
+A34 : U O4p_endo anti
+A35 : U C1p_exo anti
+A36 : U O4p_endo anti
+A37 : A C4p_exo anti
+A38 : A C3p_endo anti
+A39 : PSU
+A40 : C C3p_endo anti
+A41 : U C3p_endo anti
+A42 : G C3p_endo anti
+A43 : A C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A29-A30 : adjacent_5p upward 
+A30-A31 : adjacent_5p upward 
+A31-A32 : adjacent_5p upward 
+A37-A38 : adjacent_5p upward 
+A40-A41 : adjacent_5p upward 
+A42-A43 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A29-A42 : outward 
+Number of stackings = 7
+Number of adjacent stackings = 6
+Number of non adjacent stackings = 1
+Base-pairs ------------------------------------------------------
+A27-A43 : U-A Ww/Ww pairing antiparallel cis one_hbond 
+A28-A42 : C-G Ww/Ww pairing antiparallel cis XIX 
+A29-A41 : A-U Ww/Ww pairing antiparallel cis XX 
+A30-A40 : G-C Ww/Ww pairing antiparallel cis XIX 
+A32-A38 : C-A Ws/Hw pairing antiparallel trans one_hbond 
diff --git a/MCdata/1c04_MC b/MCdata/1c04_MC
new file mode 100644
index 0000000000000000000000000000000000000000..1364d7cda235c7a5ff41461c6bd27c2dde8c38f9
--- /dev/null
+++ b/MCdata/1c04_MC
@@ -0,0 +1,710 @@
+Residue conformations -------------------------------------------
+E1 : G C3p_endo anti
+E2 : C C3p_endo anti
+E3 : C C3p_endo anti
+E4 : A C3p_endo anti
+E5 : G C2p_exo anti
+E6 : G C3p_endo anti
+E7 : A C4p_exo anti
+E8 : U C3p_endo anti
+E9 : G C3p_endo anti
+E10 : U C3p_exo anti
+E11 : A C2p_endo anti
+E12 : G C3p_endo anti
+E13 : G C3p_endo anti
+E14 : C C3p_endo anti
+E15 : U C3p_endo anti
+E16 : U C3p_endo anti
+E17 : A C4p_exo anti
+E18 : G C3p_endo anti
+E19 : A C2p_endo syn
+E20 : A C1p_exo anti
+E21 : G C3p_endo anti
+E22 : C C3p_endo anti
+E23 : A C3p_endo anti
+E24 : G C3p_endo anti
+E25 : C C3p_endo anti
+E26 : C C3p_endo anti
+E27 : A C3p_endo anti
+E28 : U C3p_endo anti
+E29 : C C3p_endo anti
+E30 : A C3p_endo anti
+E31 : U C3p_endo anti
+E32 : U C4p_exo anti
+E33 : U C2p_exo anti
+E34 : A C3p_endo anti
+E35 : A C3p_endo anti
+E36 : A C3p_endo syn
+E37 : G C3p_endo anti
+E38 : A C3p_exo syn
+E39 : A C2p_endo anti
+E40 : A C3p_endo anti
+E41 : G C2p_exo anti
+E42 : C C3p_endo anti
+E43 : G C3p_endo anti
+E44 : U C3p_endo anti
+E45 : A C3p_endo anti
+E46 : A C3p_endo anti
+E47 : U C3p_endo anti
+E48 : A C3p_endo anti
+E49 : G C3p_endo anti
+E50 : C C3p_endo anti
+E51 : U C3p_endo anti
+E52 : C C3p_endo anti
+E53 : A C3p_endo anti
+E54 : C C2p_exo anti
+E55 : U C3p_endo anti
+E56 : G C3p_endo anti
+E57 : G C3p_endo anti
+E58 : U C3p_endo anti
+F1 : G C3p_endo anti
+F2 : G C3p_endo anti
+F3 : G C3p_endo anti
+F4 : U C3p_endo anti
+F5 : G C3p_endo anti
+F6 : C C4p_exo anti
+F7 : U C3p_endo anti
+F8 : C C3p_endo anti
+F9 : A C2p_endo anti
+F10 : G C2p_endo anti
+F11 : U C2p_exo anti
+F12 : A C3p_endo anti
+F13 : C C3p_endo anti
+F14 : G C3p_endo anti
+F15 : A C3p_endo anti
+F16 : G C3p_endo anti
+F17 : A C2p_exo anti
+F18 : G C3p_endo anti
+F19 : G C3p_endo anti
+F20 : A C3p_endo anti
+F21 : A C3p_endo anti
+F22 : C C3p_endo anti
+F23 : C C3p_endo anti
+F24 : G C3p_endo anti
+F25 : C C3p_endo anti
+F26 : A C3p_endo anti
+F27 : C C3p_endo anti
+F28 : C C3p_endo anti
+F29 : C C3p_endo anti
+A60 : GLN
+A61 : TYR
+A62 : ARG
+A63 : ILE
+A64 : ILE
+A65 : ASP
+A66 : PHE
+A67 : LYS
+A68 : ARG
+A69 : ASP
+A70 : LYS
+A71 : ASP
+A72 : GLY
+A73 : ILE
+A74 : PRO
+A75 : GLY
+A76 : ARG
+A77 : VAL
+A78 : ALA
+A79 : THR
+A80 : ILE
+A81 : GLU
+A82 : TYR
+A83 : ASP
+A84 : PRO
+A85 : ASN
+A86 : ARG
+A87 : SER
+A88 : ALA
+A89 : ASN
+A90 : ILE
+A91 : ALA
+A92 : LEU
+A93 : ILE
+A94 : ASN
+A95 : TYR
+A96 : ALA
+A97 : ASP
+A98 : GLY
+A99 : GLU
+A100 : LYS
+A101 : ARG
+A102 : TYR
+A103 : ILE
+A104 : ILE
+A105 : ALA
+A106 : PRO
+A107 : LYS
+A108 : ASN
+A109 : LEU
+A110 : LYS
+A111 : VAL
+A112 : GLY
+A113 : MSE
+A114 : GLU
+A115 : ILE
+A116 : MSE
+A117 : SER
+A118 : GLY
+A119 : PRO
+A120 : ASP
+A121 : ALA
+A122 : ASP
+A123 : ILE
+A124 : LYS
+A125 : ILE
+A126 : GLY
+A127 : ASN
+A128 : ALA
+A129 : LEU
+A130 : PRO
+A131 : LEU
+A132 : GLU
+A133 : ASN
+A134 : ILE
+A135 : PRO
+A136 : VAL
+A137 : GLY
+A138 : THR
+A139 : LEU
+A140 : VAL
+A141 : HIS
+A142 : ASN
+A143 : ILE
+A144 : GLU
+A145 : LEU
+A146 : LYS
+A147 : PRO
+A148 : GLY
+A149 : ARG
+A150 : GLY
+A151 : GLY
+A152 : GLN
+A153 : LEU
+A154 : VAL
+A155 : ARG
+A156 : ALA
+A157 : ALA
+A158 : GLY
+A159 : THR
+A160 : SER
+A161 : ALA
+A162 : GLN
+A163 : VAL
+A164 : LEU
+A165 : GLY
+A166 : LYS
+A167 : GLU
+A168 : GLY
+A169 : LYS
+A170 : TYR
+A171 : VAL
+A172 : ILE
+A173 : VAL
+A174 : ARG
+A175 : LEU
+A176 : ALA
+A177 : SER
+A178 : GLY
+A179 : GLU
+A180 : VAL
+A181 : ARG
+A182 : MSE
+A183 : ILE
+A184 : LEU
+A185 : GLY
+A186 : LYS
+A187 : CYS
+A188 : ARG
+A189 : ALA
+A190 : THR
+A191 : VAL
+A192 : GLY
+A193 : GLU
+A194 : VAL
+B7 : PRO
+B8 : ILE
+B9 : GLU
+B10 : ILE
+B11 : PRO
+B12 : ALA
+B13 : GLY
+B14 : VAL
+B15 : THR
+B16 : VAL
+B17 : THR
+B18 : VAL
+B19 : ASN
+B20 : GLY
+B21 : ASN
+B22 : THR
+B23 : VAL
+B24 : THR
+B25 : VAL
+B26 : LYS
+B27 : GLY
+B28 : PRO
+B29 : LYS
+B30 : GLY
+B31 : GLU
+B32 : LEU
+B33 : THR
+B34 : ARG
+B35 : THR
+B36 : PHE
+B37 : HIS
+B38 : PRO
+B39 : ASP
+B40 : MET
+B41 : THR
+B42 : ILE
+B43 : THR
+B44 : VAL
+B45 : GLU
+B46 : GLY
+B47 : ASN
+B48 : VAL
+B49 : ILE
+B50 : THR
+B51 : VAL
+B52 : THR
+B53 : ARG
+B54 : PRO
+B55 : SER
+B56 : ASP
+B57 : GLU
+B58 : LYS
+B59 : HIS
+B60 : HIS
+B61 : ARG
+B62 : ALA
+B63 : LEU
+B64 : HIS
+B65 : GLY
+B66 : THR
+B67 : THR
+B68 : ARG
+B69 : SER
+B70 : LEU
+B71 : LEU
+B72 : ALA
+B73 : ASN
+B74 : MET
+B75 : VAL
+B76 : GLU
+B77 : GLY
+B78 : VAL
+B79 : SER
+B80 : LYS
+B81 : GLY
+B82 : TYR
+B83 : GLU
+B84 : LYS
+B85 : ALA
+B86 : LEU
+B87 : GLU
+B88 : LEU
+B89 : VAL
+B90 : GLY
+B91 : VAL
+B92 : GLY
+B93 : TYR
+B94 : ARG
+B95 : ALA
+B96 : SER
+B97 : LYS
+B98 : GLN
+B99 : GLY
+B100 : LYS
+B101 : LYS
+B102 : LEU
+B103 : VAL
+B104 : LEU
+B105 : SER
+B106 : VAL
+B107 : GLY
+B108 : TYR
+B109 : SER
+B110 : HIS
+B111 : PRO
+B112 : VAL
+B113 : GLU
+B114 : ILE
+B115 : GLU
+B116 : PRO
+B117 : GLU
+B118 : GLU
+B119 : GLY
+B120 : LEU
+B121 : GLU
+B122 : ILE
+B123 : GLU
+B124 : VAL
+B125 : PRO
+B126 : SER
+B127 : GLN
+B128 : THR
+B129 : LYS
+B130 : ILE
+B131 : ILE
+B132 : VAL
+B133 : LYS
+B134 : GLY
+B135 : ALA
+B136 : ASP
+B137 : LYS
+B138 : GLN
+B139 : ARG
+B140 : VAL
+B141 : GLY
+B142 : GLU
+B143 : LEU
+B144 : ALA
+B145 : ALA
+B146 : ASN
+B147 : ILE
+B148 : ARG
+B149 : ALA
+B150 : VAL
+B151 : ARG
+B152 : PRO
+B153 : PRO
+B154 : GLU
+B155 : PRO
+B156 : TYR
+B157 : LYS
+B158 : GLY
+B159 : LYS
+B160 : GLY
+B161 : ILE
+B162 : ARG
+B163 : TYR
+B164 : GLU
+B165 : GLY
+B166 : GLU
+B167 : LEU
+B168 : VAL
+B169 : ARG
+B170 : LEU
+C6 : LYS
+C7 : THR
+C8 : PRO
+C9 : PRO
+C10 : ALA
+C11 : ALA
+C12 : VAL
+C13 : LEU
+C14 : LEU
+C15 : LYS
+C16 : LYS
+C17 : ALA
+C18 : ALA
+C19 : GLY
+C20 : ILE
+C21 : GLU
+C22 : SER
+C23 : GLY
+C24 : SER
+C25 : GLY
+C26 : GLU
+C27 : PRO
+C28 : ASN
+C29 : ARG
+C30 : ASN
+C31 : LYS
+C32 : VAL
+C33 : ALA
+C34 : THR
+C35 : ILE
+C36 : LYS
+C37 : ARG
+C38 : ASP
+C39 : LYS
+C40 : VAL
+C41 : ARG
+C42 : GLU
+C43 : ILE
+C44 : ALA
+C45 : GLU
+C46 : LEU
+C47 : LYS
+C48 : MET
+C49 : PRO
+C50 : ASP
+C51 : LEU
+C52 : ASN
+C53 : ALA
+C54 : ALA
+C55 : SER
+C56 : ILE
+C57 : GLU
+C58 : ALA
+C59 : ALA
+C60 : MET
+C61 : ARG
+C62 : MET
+C63 : ILE
+C64 : GLU
+C65 : GLY
+C66 : THR
+C67 : ALA
+C68 : ARG
+C69 : SER
+C70 : MET
+C71 : GLY
+C72 : ILE
+D1 : MET
+D2 : ILE
+D3 : GLN
+D4 : GLN
+D5 : GLU
+D6 : SER
+D7 : ARG
+D8 : LEU
+D9 : LYS
+D10 : VAL
+D11 : ALA
+D12 : ASP
+D13 : ASN
+D14 : SER
+D15 : GLY
+D16 : ALA
+D17 : ARG
+D18 : GLU
+D19 : VAL
+D20 : LEU
+D21 : VAL
+D22 : ILE
+D23 : LYS
+D24 : VAL
+D25 : LEU
+D26 : GLY
+D27 : GLY
+D28 : SER
+D29 : GLY
+D30 : ARG
+D31 : ARG
+D32 : TYR
+D33 : ALA
+D34 : ASN
+D35 : ILE
+D36 : GLY
+D37 : ASP
+D38 : VAL
+D39 : VAL
+D40 : VAL
+D41 : ALA
+D42 : THR
+D43 : VAL
+D44 : LYS
+D45 : ASP
+D46 : ALA
+D47 : THR
+D48 : PRO
+D49 : GLY
+D50 : GLY
+D51 : VAL
+D52 : VAL
+D53 : LYS
+D54 : LYS
+D55 : GLY
+D56 : GLN
+D57 : VAL
+D58 : VAL
+D59 : LYS
+D60 : ALA
+D61 : VAL
+D62 : VAL
+D63 : VAL
+D64 : ARG
+D65 : THR
+D66 : LYS
+D67 : ARG
+D68 : GLY
+D69 : VAL
+D70 : ARG
+D71 : ARG
+D72 : PRO
+D73 : ASP
+D74 : GLY
+D75 : SER
+D76 : TYR
+D77 : ILE
+D78 : ARG
+D79 : PHE
+D80 : ASP
+D81 : GLU
+D82 : ASN
+D83 : ALA
+D84 : CYS
+D85 : VAL
+D86 : ILE
+D87 : ILE
+D88 : ARG
+D89 : ASP
+D90 : ASP
+D91 : LYS
+D92 : SER
+D93 : PRO
+D94 : ARG
+D95 : GLY
+D96 : THR
+D97 : ARG
+D98 : ILE
+D99 : PHE
+D100 : GLY
+D101 : PRO
+D102 : VAL
+D103 : ALA
+D104 : ARG
+D105 : GLU
+D106 : LEU
+D107 : ARG
+D108 : ASP
+D109 : LYS
+D110 : ASP
+D111 : PHE
+D112 : MET
+D113 : LYS
+D114 : ILE
+D115 : ILE
+D116 : SER
+D117 : LEU
+D118 : ALA
+D119 : PRO
+D120 : GLU
+D121 : VAL
+D122 : ILE
+Adjacent stackings ----------------------------------------------
+E1-E2 : adjacent_5p upward 
+E4-E5 : adjacent_5p upward 
+E5-E6 : adjacent_5p upward 
+E7-E8 : adjacent_5p upward 
+E9-E10 : adjacent_5p inward 
+E12-E13 : adjacent_5p upward 
+E13-E14 : adjacent_5p upward 
+E14-E15 : adjacent_5p upward 
+E15-E16 : adjacent_5p upward 
+E17-E18 : adjacent_5p upward 
+E18-E19 : adjacent_5p upward 
+E21-E22 : adjacent_5p upward 
+E23-E24 : adjacent_5p upward 
+E24-E25 : adjacent_5p upward 
+E26-E27 : adjacent_5p upward 
+E27-E28 : adjacent_5p upward 
+E29-E30 : adjacent_5p upward 
+E30-E31 : adjacent_5p upward 
+E31-E32 : adjacent_5p upward 
+E32-E33 : adjacent_5p upward 
+E34-E35 : adjacent_5p upward 
+E35-E36 : adjacent_5p inward 
+E40-E41 : adjacent_5p upward 
+E41-E42 : adjacent_5p upward 
+E42-E43 : adjacent_5p upward 
+E43-E44 : adjacent_5p upward 
+E45-E46 : adjacent_5p upward 
+E46-E47 : adjacent_5p upward 
+E47-E48 : adjacent_5p upward 
+E48-E49 : adjacent_5p upward 
+E49-E50 : adjacent_5p upward 
+E50-E51 : adjacent_5p upward 
+E51-E52 : adjacent_5p upward 
+E52-E53 : adjacent_5p upward 
+E53-E54 : adjacent_5p upward pairing 
+E56-E57 : adjacent_5p upward 
+E57-E58 : adjacent_5p upward 
+F1-F2 : adjacent_5p upward 
+F2-F3 : adjacent_5p upward 
+F3-F4 : adjacent_5p upward 
+F4-F5 : adjacent_5p upward 
+F5-F6 : adjacent_5p upward 
+F6-F7 : adjacent_5p upward 
+F8-F9 : adjacent_5p inward 
+F11-F12 : adjacent_5p upward 
+F12-F13 : adjacent_5p upward 
+F13-F14 : adjacent_5p upward 
+F15-F16 : adjacent_5p upward 
+F16-F17 : adjacent_5p upward 
+F18-F19 : adjacent_5p upward 
+F20-F21 : adjacent_5p upward 
+F21-F22 : adjacent_5p upward 
+F26-F27 : adjacent_5p upward 
+F27-F28 : adjacent_5p upward 
+F28-F29 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+E4-E56 : outward 
+E7-E36 : outward 
+E9-E30 : outward 
+E11-E20 : outward 
+E12-E27 : outward 
+E13-E26 : outward 
+E19-E23 : upward 
+E21-E39 : downward pairing 
+E29-E38 : downward 
+E37-E39 : upward 
+E37-E53 : outward 
+E40-E52 : outward 
+F5-F26 : outward 
+F9-F11 : outward 
+F10-F19 : inward pairing 
+F12-F20 : outward 
+F14-F18 : outward 
+Number of stackings = 72
+Number of adjacent stackings = 55
+Number of non adjacent stackings = 17
+Base-pairs ------------------------------------------------------
+E1-E58 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+E2-E57 : C-G Ww/Ww pairing antiparallel cis XIX 
+E3-E56 : C-G Ww/Ww pairing antiparallel cis XIX 
+E4-E55 : A-U Ww/Ww pairing antiparallel cis XX 
+E5-E35 : G-A Ss/Ss O2'/Ww pairing parallel trans 57 
+E5-E54 : G-C Ww/Ww pairing antiparallel cis XIX 
+E6-E52 : G-C Ww/O2P pairing 
+E6-E53 : G-A Ss/Hh O2'/Bh pairing antiparallel trans XI 
+E7-E31 : A-U Ww/Ww pairing antiparallel cis XX 
+E7-E37 : A-G Bh/O2P pairing 
+E8-E30 : U-A Ww/Ww pairing antiparallel cis XX 
+E9-E29 : G-C Ww/Ww pairing antiparallel cis XIX 
+E10-E38 : U-A Ww/Hh pairing parallel cis XXIII 
+E12-E26 : G-C Ww/Ww pairing antiparallel cis XIX 
+E13-E25 : G-C Ww/Ww pairing antiparallel cis XIX 
+E14-E24 : C-G Ww/Ww pairing antiparallel cis XIX 
+E15-E19 : U-A Ww/O2' pairing 
+E15-E23 : U-A Ws/Wh pairing antiparallel trans one_hbond 46 
+E16-E18 : U-G O2'/Hh pairing 
+E16-E19 : U-A Ss/C8 pairing antiparallel trans one_hbond 
+E18-E45 : G-A Bs/O2' pairing 
+E20-E47 : A-U Ww/O2' pairing 
+E21-E39 : G-A Bs/O2' Ss/O2' downward pairing 
+E21-E41 : G-G Ww/Hh pairing parallel cis VI 
+E21-E50 : G-C Wh/Wh pairing antiparallel trans one_hbond 
+E22-E42 : C-C Ww/Hh pairing parallel cis 
+E27-E38 : A-A Ww/O2' pairing 
+E32-E36 : U-A Ww/Ww pairing parallel trans XXI 
+E33-E35 : U-A O2'/Hh pairing 
+E34-E55 : A-U Bs/Ss Ss/O2' pairing antiparallel cis one_hbond 
+E36-E53 : A-A O2'/Ww pairing 
+E37-E52 : G-C Ww/Ww pairing antiparallel cis 122 
+E40-E51 : A-U Ww/Ww pairing antiparallel cis XX 
+E41-E50 : G-C Ww/Ww pairing antiparallel cis XIX 
+E42-E49 : C-G Ww/Ww pairing antiparallel cis XIX 
+E43-E48 : G-A Ss/Hh O2'/Bh pairing antiparallel trans XI 
+E44-E46 : U-A O2'/Bh O2'/Hh pairing 
+E44-E47 : U-U Ww/O2P pairing 
+E53-E54 : A-C O2P/Bh adjacent_5p upward pairing 
+F1-F29 : G-C Ww/Ww pairing antiparallel cis XIX 
+F2-F28 : G-C Ww/Ww pairing antiparallel cis XIX 
+F3-F27 : G-C Ww/Ww pairing antiparallel cis XIX 
+F4-F26 : U-A Ww/Ww pairing antiparallel cis XX 
+F5-F25 : G-C Ww/Ww pairing antiparallel cis XIX 
+F6-F24 : C-G Ww/Ww pairing antiparallel cis XIX 
+F7-F23 : U-C Ws/Hw pairing antiparallel trans one_hbond 
+F9-F21 : A-A Bh/O2P pairing 
+F10-F11 : G-U Sw/Hw adjacent_5p pairing parallel cis one_hbond 89 
+F10-F19 : G-G O2'/Ww inward pairing 
+F10-F20 : G-A Ww/O2P Bs/O2P pairing 
+F11-F19 : U-G O2P/Ww O2P/Bs pairing 
+F11-F20 : U-A Ww/Hh pairing antiparallel trans XXIV 
+F12-F19 : A-G Hh/Ss pairing antiparallel trans XI 
+F13-F18 : C-G Ww/Ww pairing antiparallel cis XIX 
+F14-F16 : G-G O2'/Hh pairing 
+F14-F17 : G-A Ss/Hh Bs/O2P pairing antiparallel trans XI 
diff --git a/MCdata/1c0a_MC b/MCdata/1c0a_MC
new file mode 100644
index 0000000000000000000000000000000000000000..c9ea70c2316f59a818394acd41b8ad69f42a7992
--- /dev/null
+++ b/MCdata/1c0a_MC
@@ -0,0 +1,1270 @@
+Residue conformations -------------------------------------------
+B601 : G C3p_endo anti
+B602 : G C3p_endo anti
+B603 : A C3p_endo anti
+B604 : G C3p_endo anti
+B605 : C C3p_endo anti
+B606 : G C3p_endo anti
+B607 : G C2p_endo anti
+B608 : 4SU
+B609 : A C2p_endo anti
+B610 : G C3p_endo anti
+B611 : U C3p_endo anti
+B612 : U C3p_endo anti
+B613 : C C3p_endo anti
+B614 : A C3p_endo anti
+B615 : G C3p_endo anti
+B616 : H2U
+B617 : C C2p_endo anti
+B618 : G C2p_endo anti
+B619 : G C2p_endo syn
+B620 : H2U
+B620.A : H2U
+B621 : A C2p_endo anti
+B622 : G C3p_endo anti
+B623 : A C3p_endo anti
+B624 : A C3p_endo anti
+B625 : U C3p_endo anti
+B626 : A C3p_endo anti
+B627 : C C3p_endo anti
+B628 : C C3p_endo anti
+B629 : U C3p_endo anti
+B630 : G C3p_endo anti
+B631 : C C3p_endo anti
+B632 : C C3p_endo anti
+B633 : U C2p_endo anti
+B634 : QUO
+B635 : U C3p_endo anti
+B636 : C C3p_endo anti
+B637 : A C2p_endo syn
+B638 : C C3p_endo anti
+B639 : G C3p_endo anti
+B640 : C C3p_endo anti
+B641 : A C3p_endo anti
+B642 : G C3p_endo anti
+B643 : G C3p_endo anti
+B644 : G C3p_endo anti
+B645 : G C3p_endo anti
+B646 : G7M
+B647 : U C2p_endo anti
+B648 : C C2p_endo anti
+B649 : G C3p_endo anti
+B650 : C C3p_endo anti
+B651 : G C3p_endo anti
+B652 : G C3p_endo anti
+B653 : G C3p_endo anti
+B654 : 5MU
+B655 : PSU
+B656 : C C3p_endo anti
+B657 : G C3p_endo anti
+B658 : A C2p_endo syn
+B659 : G C3p_endo anti
+B660 : U C2p_endo anti
+B661 : C C3p_endo anti
+B662 : C C3p_endo anti
+B663 : C C3p_endo anti
+B664 : G C3p_endo anti
+B665 : PSU
+B666 : C C3p_endo anti
+B667 : C C3p_endo anti
+B668 : G C3p_endo anti
+B669 : U C3p_endo anti
+B670 : U C3p_endo anti
+B671 : C C3p_endo anti
+B672 : C C3p_endo anti
+B673 : G C3p_endo anti
+B674 : C C3p_endo anti
+B675 : C C3p_endo anti
+B676 : A C2p_endo anti
+A1 : MET
+A2 : ARG
+A3 : THR
+A4 : GLU
+A5 : TYR
+A6 : CYS
+A7 : GLY
+A8 : GLN
+A9 : LEU
+A10 : ARG
+A11 : LEU
+A12 : SER
+A13 : HIS
+A14 : VAL
+A15 : GLY
+A16 : GLN
+A17 : GLN
+A18 : VAL
+A19 : THR
+A20 : LEU
+A21 : CYS
+A22 : GLY
+A23 : TRP
+A24 : VAL
+A25 : ASN
+A26 : ARG
+A27 : ARG
+A28 : ARG
+A29 : ASP
+A30 : LEU
+A31 : GLY
+A32 : SER
+A33 : LEU
+A34 : ILE
+A35 : PHE
+A36 : ILE
+A37 : ASP
+A38 : MET
+A39 : ARG
+A40 : ASP
+A41 : ARG
+A42 : GLU
+A43 : GLY
+A44 : ILE
+A45 : VAL
+A46 : GLN
+A47 : VAL
+A48 : PHE
+A49 : PHE
+A50 : ASP
+A51 : PRO
+A52 : ASP
+A53 : ARG
+A54 : ALA
+A55 : ASP
+A56 : ALA
+A57 : LEU
+A58 : LYS
+A59 : LEU
+A60 : ALA
+A61 : SER
+A62 : GLU
+A63 : LEU
+A64 : ARG
+A65 : ASN
+A66 : GLU
+A67 : PHE
+A68 : CYS
+A69 : ILE
+A70 : GLN
+A71 : VAL
+A72 : THR
+A73 : GLY
+A74 : THR
+A75 : VAL
+A76 : ARG
+A77 : ALA
+A78 : ARG
+A79 : ASP
+A80 : GLU
+A81 : LYS
+A82 : ASN
+A83 : ILE
+A84 : ASN
+A85 : ARG
+A86 : ASP
+A87 : MET
+A88 : ALA
+A89 : THR
+A90 : GLY
+A91 : GLU
+A92 : ILE
+A93 : GLU
+A94 : VAL
+A95 : LEU
+A96 : ALA
+A97 : SER
+A98 : SER
+A99 : LEU
+A100 : THR
+A101 : ILE
+A102 : ILE
+A103 : ASN
+A104 : ARG
+A105 : ALA
+A106 : ASP
+A107 : VAL
+A108 : LEU
+A109 : PRO
+A110 : LEU
+A111 : ASP
+A112 : SER
+A113 : ASN
+A114 : HIS
+A115 : VAL
+A116 : ASN
+A117 : THR
+A118 : GLU
+A119 : GLU
+A120 : ALA
+A121 : ARG
+A122 : LEU
+A123 : LYS
+A124 : TYR
+A125 : ARG
+A126 : TYR
+A127 : LEU
+A128 : ASP
+A129 : LEU
+A130 : ARG
+A131 : ARG
+A132 : PRO
+A133 : GLU
+A134 : MET
+A135 : ALA
+A136 : GLN
+A137 : ARG
+A138 : LEU
+A139 : LYS
+A140 : THR
+A141 : ARG
+A142 : ALA
+A143 : LYS
+A144 : ILE
+A145 : THR
+A146 : SER
+A147 : LEU
+A148 : VAL
+A149 : ARG
+A150 : ARG
+A151 : PHE
+A152 : MET
+A153 : ASP
+A154 : ASP
+A155 : HIS
+A156 : GLY
+A157 : PHE
+A158 : LEU
+A159 : ASP
+A160 : ILE
+A161 : GLU
+A162 : THR
+A163 : PRO
+A164 : MET
+A165 : LEU
+A166 : THR
+A167 : LYS
+A168 : ALA
+A169 : THR
+A170 : PRO
+A171 : GLU
+A172 : GLY
+A173 : ALA
+A174 : ARG
+A175 : ASP
+A176 : TYR
+A177 : LEU
+A178 : VAL
+A179 : PRO
+A180 : SER
+A181 : ARG
+A182 : VAL
+A183 : HIS
+A184 : LYS
+A185 : GLY
+A186 : LYS
+A187 : PHE
+A188 : TYR
+A189 : ALA
+A190 : LEU
+A191 : PRO
+A192 : GLN
+A193 : SER
+A194 : PRO
+A195 : GLN
+A196 : LEU
+A197 : PHE
+A198 : LYS
+A199 : GLN
+A200 : LEU
+A201 : LEU
+A202 : MET
+A203 : MET
+A204 : SER
+A205 : GLY
+A206 : PHE
+A207 : ASP
+A208 : ARG
+A209 : TYR
+A210 : TYR
+A211 : GLN
+A212 : ILE
+A213 : VAL
+A214 : LYS
+A215 : CYS
+A216 : PHE
+A217 : ARG
+A218 : ASP
+A219 : GLU
+A220 : ASP
+A221 : LEU
+A222 : ARG
+A223 : ALA
+A224 : ASP
+A225 : ARG
+A226 : GLN
+A227 : PRO
+A228 : GLU
+A229 : PHE
+A230 : THR
+A231 : GLN
+A232 : ILE
+A233 : ASP
+A234 : VAL
+A235 : GLU
+A236 : THR
+A237 : SER
+A238 : PHE
+A239 : MET
+A240 : THR
+A241 : ALA
+A242 : PRO
+A243 : GLN
+A244 : VAL
+A245 : ARG
+A246 : GLU
+A247 : VAL
+A248 : MET
+A249 : GLU
+A250 : ALA
+A251 : LEU
+A252 : VAL
+A253 : ARG
+A254 : HIS
+A255 : LEU
+A256 : TRP
+A257 : LEU
+A258 : GLU
+A259 : VAL
+A260 : LYS
+A261 : GLY
+A262 : VAL
+A263 : ASP
+A264 : LEU
+A265 : GLY
+A266 : ASP
+A267 : PHE
+A268 : PRO
+A269 : VAL
+A270 : MET
+A271 : THR
+A272 : PHE
+A273 : ALA
+A274 : GLU
+A275 : ALA
+A276 : GLU
+A277 : ARG
+A278 : ARG
+A279 : TYR
+A280 : GLY
+A281 : SER
+A282 : ASP
+A283 : LYS
+A284 : PRO
+A285 : ASP
+A286 : LEU
+A287 : ARG
+A288 : ASN
+A289 : PRO
+A290 : MET
+A291 : GLU
+A292 : LEU
+A293 : THR
+A294 : ASP
+A295 : VAL
+A296 : ALA
+A297 : ASP
+A298 : LEU
+A299 : LEU
+A300 : LYS
+A301 : SER
+A302 : VAL
+A303 : GLU
+A304 : PHE
+A305 : ALA
+A306 : VAL
+A307 : PHE
+A308 : ALA
+A309 : GLY
+A310 : PRO
+A311 : ALA
+A312 : ASN
+A313 : ASP
+A314 : PRO
+A315 : LYS
+A316 : GLY
+A317 : ARG
+A318 : VAL
+A319 : ALA
+A320 : ALA
+A321 : LEU
+A322 : ARG
+A323 : VAL
+A324 : PRO
+A325 : GLY
+A326 : GLY
+A327 : ALA
+A328 : SER
+A329 : LEU
+A330 : THR
+A331 : ARG
+A332 : LYS
+A333 : GLN
+A334 : ILE
+A335 : ASP
+A336 : GLU
+A337 : TYR
+A338 : GLY
+A339 : ASN
+A340 : PHE
+A341 : VAL
+A342 : LYS
+A343 : ILE
+A344 : TYR
+A345 : GLY
+A346 : ALA
+A347 : LYS
+A348 : GLY
+A349 : LEU
+A350 : ALA
+A351 : TYR
+A352 : ILE
+A353 : LYS
+A354 : VAL
+A355 : ASN
+A356 : GLU
+A357 : ARG
+A358 : ALA
+A359 : LYS
+A360 : GLY
+A361 : LEU
+A362 : GLU
+A363 : GLY
+A364 : ILE
+A365 : ASN
+A366 : SER
+A367 : PRO
+A368 : VAL
+A369 : ALA
+A370 : LYS
+A371 : PHE
+A372 : LEU
+A373 : ASN
+A374 : ALA
+A375 : GLU
+A376 : ILE
+A377 : ILE
+A378 : GLU
+A379 : ASP
+A380 : ILE
+A381 : LEU
+A382 : ASP
+A383 : ARG
+A384 : THR
+A385 : ALA
+A386 : ALA
+A387 : GLN
+A388 : ASP
+A389 : GLY
+A390 : ASP
+A391 : MET
+A392 : ILE
+A393 : PHE
+A394 : PHE
+A395 : GLY
+A396 : ALA
+A397 : ASP
+A398 : ASN
+A399 : LYS
+A400 : LYS
+A401 : ILE
+A402 : VAL
+A403 : ALA
+A404 : ASP
+A405 : ALA
+A406 : MET
+A407 : GLY
+A408 : ALA
+A409 : LEU
+A410 : ARG
+A411 : LEU
+A412 : LYS
+A413 : VAL
+A414 : GLY
+A415 : LYS
+A416 : ASP
+A417 : LEU
+A418 : GLY
+A419 : LEU
+A420 : THR
+A421 : ASP
+A422 : GLU
+A423 : SER
+A424 : LYS
+A425 : TRP
+A426 : ALA
+A427 : PRO
+A428 : LEU
+A429 : TRP
+A430 : VAL
+A431 : ILE
+A432 : ASP
+A433 : PHE
+A434 : PRO
+A435 : MET
+A436 : PHE
+A437 : GLU
+A438 : ASP
+A439 : ASP
+A440 : GLY
+A441 : GLU
+A442 : GLY
+A443 : GLY
+A444 : LEU
+A445 : THR
+A446 : ALA
+A447 : MET
+A448 : HIS
+A449 : HIS
+A450 : PRO
+A451 : PHE
+A452 : THR
+A453 : SER
+A454 : PRO
+A455 : LYS
+A456 : ASP
+A457 : MET
+A458 : THR
+A459 : ALA
+A460 : ALA
+A461 : GLU
+A462 : LEU
+A463 : LYS
+A464 : ALA
+A465 : ALA
+A466 : PRO
+A467 : GLU
+A468 : ASN
+A469 : ALA
+A470 : VAL
+A471 : ALA
+A472 : ASN
+A473 : ALA
+A474 : TYR
+A475 : ASP
+A476 : MET
+A477 : VAL
+A478 : ILE
+A479 : ASN
+A480 : GLY
+A481 : TYR
+A482 : GLU
+A483 : VAL
+A484 : GLY
+A485 : GLY
+A486 : GLY
+A487 : SER
+A488 : VAL
+A489 : ARG
+A490 : ILE
+A491 : HIS
+A492 : ASN
+A493 : GLY
+A494 : ASP
+A495 : MET
+A496 : GLN
+A497 : GLN
+A498 : THR
+A499 : VAL
+A500 : PHE
+A501 : GLY
+A502 : ILE
+A503 : LEU
+A504 : GLY
+A505 : ILE
+A506 : ASN
+A507 : GLU
+A508 : GLU
+A509 : GLU
+A510 : GLN
+A511 : ARG
+A512 : GLU
+A513 : LYS
+A514 : PHE
+A515 : GLY
+A516 : PHE
+A517 : LEU
+A518 : LEU
+A519 : ASP
+A520 : ALA
+A521 : LEU
+A522 : LYS
+A523 : TYR
+A524 : GLY
+A525 : THR
+A526 : PRO
+A527 : PRO
+A528 : HIS
+A529 : ALA
+A530 : GLY
+A531 : LEU
+A532 : ALA
+A533 : PHE
+A534 : GLY
+A535 : LEU
+A536 : ASP
+A537 : ARG
+A538 : LEU
+A539 : THR
+A540 : MET
+A541 : LEU
+A542 : LEU
+A543 : THR
+A544 : GLY
+A545 : THR
+A546 : ASP
+A547 : ASN
+A548 : ILE
+A549 : ARG
+A550 : ASP
+A551 : VAL
+A552 : ILE
+A553 : ALA
+A554 : PHE
+A555 : PRO
+A556 : LYS
+A557 : THR
+A558 : THR
+A559 : ALA
+A560 : ALA
+A561 : ALA
+A562 : CYS
+A563 : LEU
+A564 : MET
+A565 : THR
+A566 : GLU
+A567 : ALA
+A568 : PRO
+A569 : SER
+A570 : PHE
+A571 : ALA
+A572 : ASN
+A573 : PRO
+A574 : THR
+A575 : ALA
+A576 : LEU
+A577 : ALA
+A578 : GLU
+A579 : LEU
+A580 : SER
+A581 : ILE
+A582 : GLN
+A583 : VAL
+A584 : VAL
+A585 : LYS
+B701 : SO4
+A800 : AMP
+A831 : AMO
+B1011 : HOH
+B1015 : HOH
+B1024 : HOH
+B1056 : HOH
+B1080 : HOH
+B1088 : HOH
+B1096 : HOH
+B1097 : HOH
+B1111 : HOH
+B1112 : HOH
+B1113 : HOH
+B1135 : HOH
+B1137 : HOH
+B1139 : HOH
+B1149 : HOH
+B1150 : HOH
+B1157 : HOH
+B1160 : HOH
+B1174 : HOH
+B1187 : HOH
+B1189 : HOH
+B1190 : HOH
+B1201 : HOH
+B1204 : HOH
+B1205 : HOH
+B1206 : HOH
+B1207 : HOH
+B1209 : HOH
+B1210 : HOH
+B1211 : HOH
+B1213 : HOH
+B1215 : HOH
+B1216 : HOH
+B1221 : HOH
+B1222 : HOH
+B1223 : HOH
+B1228 : HOH
+B1230 : HOH
+B1232 : HOH
+B1234 : HOH
+B1244 : HOH
+B1245 : HOH
+B1249 : HOH
+B1250 : HOH
+B1261 : HOH
+B1270 : HOH
+B1272 : HOH
+B1276 : HOH
+B1277 : HOH
+B1291 : HOH
+B1299 : HOH
+B1306 : HOH
+B1312 : HOH
+B1313 : HOH
+B1316 : HOH
+B1318 : HOH
+B1325 : HOH
+B1331 : HOH
+B1334 : HOH
+B1338 : HOH
+B1342 : HOH
+B1344 : HOH
+B1350 : HOH
+B1356 : HOH
+B1357 : HOH
+B1358 : HOH
+B1359 : HOH
+B1361 : HOH
+B1365 : HOH
+B1382 : HOH
+B1384 : HOH
+B1385 : HOH
+B1388 : HOH
+B1390 : HOH
+B1392 : HOH
+B1398 : HOH
+B1402 : HOH
+B1408 : HOH
+B1411 : HOH
+B1412 : HOH
+B1416 : HOH
+B1418 : HOH
+B1423 : HOH
+B1425 : HOH
+B1427 : HOH
+B1429 : HOH
+B1431 : HOH
+B1434 : HOH
+B1438 : HOH
+B1449 : HOH
+B1453 : HOH
+B1455 : HOH
+B1465 : HOH
+B1471 : HOH
+B1479 : HOH
+B1483 : HOH
+B1485 : HOH
+B1493 : HOH
+B1496 : HOH
+B1502 : HOH
+B1503 : HOH
+B1505 : HOH
+B1508 : HOH
+B1509 : HOH
+B1510 : HOH
+B1513 : HOH
+B1514 : HOH
+A1001 : HOH
+A1002 : HOH
+A1003 : HOH
+A1004 : HOH
+A1005 : HOH
+A1006 : HOH
+A1007 : HOH
+A1008 : HOH
+A1009 : HOH
+A1010 : HOH
+A1012 : HOH
+A1013 : HOH
+A1014 : HOH
+A1016 : HOH
+A1017 : HOH
+A1018 : HOH
+A1019 : HOH
+A1020 : HOH
+A1021 : HOH
+A1022 : HOH
+A1023 : HOH
+A1025 : HOH
+A1026 : HOH
+A1027 : HOH
+A1028 : HOH
+A1029 : HOH
+A1030 : HOH
+A1031 : HOH
+A1032 : HOH
+A1033 : HOH
+A1034 : HOH
+A1035 : HOH
+A1036 : HOH
+A1037 : HOH
+A1038 : HOH
+A1039 : HOH
+A1040 : HOH
+A1041 : HOH
+A1042 : HOH
+A1043 : HOH
+A1044 : HOH
+A1045 : HOH
+A1046 : HOH
+A1047 : HOH
+A1048 : HOH
+A1049 : HOH
+A1050 : HOH
+A1051 : HOH
+A1052 : HOH
+A1053 : HOH
+A1054 : HOH
+A1055 : HOH
+A1057 : HOH
+A1058 : HOH
+A1059 : HOH
+A1060 : HOH
+A1061 : HOH
+A1062 : HOH
+A1063 : HOH
+A1064 : HOH
+A1065 : HOH
+A1066 : HOH
+A1067 : HOH
+A1068 : HOH
+A1069 : HOH
+A1070 : HOH
+A1071 : HOH
+A1072 : HOH
+A1073 : HOH
+A1074 : HOH
+A1075 : HOH
+A1076 : HOH
+A1077 : HOH
+A1078 : HOH
+A1079 : HOH
+A1081 : HOH
+A1082 : HOH
+A1083 : HOH
+A1084 : HOH
+A1085 : HOH
+A1086 : HOH
+A1087 : HOH
+A1089 : HOH
+A1090 : HOH
+A1091 : HOH
+A1092 : HOH
+A1093 : HOH
+A1094 : HOH
+A1095 : HOH
+A1098 : HOH
+A1099 : HOH
+A1100 : HOH
+A1101 : HOH
+A1102 : HOH
+A1103 : HOH
+A1104 : HOH
+A1105 : HOH
+A1106 : HOH
+A1107 : HOH
+A1108 : HOH
+A1109 : HOH
+A1110 : HOH
+A1114 : HOH
+A1115 : HOH
+A1116 : HOH
+A1117 : HOH
+A1118 : HOH
+A1119 : HOH
+A1120 : HOH
+A1121 : HOH
+A1122 : HOH
+A1123 : HOH
+A1124 : HOH
+A1125 : HOH
+A1126 : HOH
+A1127 : HOH
+A1128 : HOH
+A1129 : HOH
+A1130 : HOH
+A1131 : HOH
+A1132 : HOH
+A1133 : HOH
+A1134 : HOH
+A1136 : HOH
+A1138 : HOH
+A1140 : HOH
+A1141 : HOH
+A1142 : HOH
+A1143 : HOH
+A1144 : HOH
+A1145 : HOH
+A1146 : HOH
+A1147 : HOH
+A1148 : HOH
+A1151 : HOH
+A1152 : HOH
+A1153 : HOH
+A1154 : HOH
+A1155 : HOH
+A1156 : HOH
+A1158 : HOH
+A1159 : HOH
+A1161 : HOH
+A1162 : HOH
+A1163 : HOH
+A1164 : HOH
+A1165 : HOH
+A1166 : HOH
+A1167 : HOH
+A1168 : HOH
+A1169 : HOH
+A1170 : HOH
+A1171 : HOH
+A1172 : HOH
+A1173 : HOH
+A1175 : HOH
+A1176 : HOH
+A1177 : HOH
+A1178 : HOH
+A1179 : HOH
+A1180 : HOH
+A1181 : HOH
+A1182 : HOH
+A1183 : HOH
+A1184 : HOH
+A1185 : HOH
+A1186 : HOH
+A1188 : HOH
+A1191 : HOH
+A1192 : HOH
+A1193 : HOH
+A1194 : HOH
+A1195 : HOH
+A1196 : HOH
+A1197 : HOH
+A1198 : HOH
+A1199 : HOH
+A1200 : HOH
+A1202 : HOH
+A1203 : HOH
+A1208 : HOH
+A1212 : HOH
+A1214 : HOH
+A1217 : HOH
+A1218 : HOH
+A1219 : HOH
+A1220 : HOH
+A1224 : HOH
+A1225 : HOH
+A1226 : HOH
+A1227 : HOH
+A1229 : HOH
+A1231 : HOH
+A1233 : HOH
+A1235 : HOH
+A1236 : HOH
+A1237 : HOH
+A1238 : HOH
+A1239 : HOH
+A1240 : HOH
+A1241 : HOH
+A1242 : HOH
+A1243 : HOH
+A1246 : HOH
+A1247 : HOH
+A1248 : HOH
+A1251 : HOH
+A1252 : HOH
+A1253 : HOH
+A1254 : HOH
+A1255 : HOH
+A1256 : HOH
+A1257 : HOH
+A1258 : HOH
+A1259 : HOH
+A1260 : HOH
+A1262 : HOH
+A1263 : HOH
+A1264 : HOH
+A1265 : HOH
+A1266 : HOH
+A1267 : HOH
+A1268 : HOH
+A1269 : HOH
+A1271 : HOH
+A1273 : HOH
+A1274 : HOH
+A1275 : HOH
+A1278 : HOH
+A1279 : HOH
+A1280 : HOH
+A1281 : HOH
+A1282 : HOH
+A1283 : HOH
+A1284 : HOH
+A1285 : HOH
+A1286 : HOH
+A1287 : HOH
+A1288 : HOH
+A1289 : HOH
+A1290 : HOH
+A1292 : HOH
+A1293 : HOH
+A1294 : HOH
+A1295 : HOH
+A1296 : HOH
+A1297 : HOH
+A1298 : HOH
+A1300 : HOH
+A1301 : HOH
+A1302 : HOH
+A1303 : HOH
+A1304 : HOH
+A1305 : HOH
+A1307 : HOH
+A1308 : HOH
+A1309 : HOH
+A1310 : HOH
+A1311 : HOH
+A1314 : HOH
+A1315 : HOH
+A1317 : HOH
+A1319 : HOH
+A1320 : HOH
+A1321 : HOH
+A1322 : HOH
+A1323 : HOH
+A1324 : HOH
+A1326 : HOH
+A1327 : HOH
+A1328 : HOH
+A1329 : HOH
+A1330 : HOH
+A1332 : HOH
+A1333 : HOH
+A1335 : HOH
+A1336 : HOH
+A1337 : HOH
+A1339 : HOH
+A1340 : HOH
+A1341 : HOH
+A1343 : HOH
+A1345 : HOH
+A1346 : HOH
+A1347 : HOH
+A1348 : HOH
+A1349 : HOH
+A1351 : HOH
+A1352 : HOH
+A1353 : HOH
+A1354 : HOH
+A1355 : HOH
+A1360 : HOH
+A1362 : HOH
+A1363 : HOH
+A1364 : HOH
+A1366 : HOH
+A1367 : HOH
+A1368 : HOH
+A1369 : HOH
+A1370 : HOH
+A1371 : HOH
+A1372 : HOH
+A1373 : HOH
+A1374 : HOH
+A1375 : HOH
+A1376 : HOH
+A1377 : HOH
+A1378 : HOH
+A1379 : HOH
+A1380 : HOH
+A1381 : HOH
+A1383 : HOH
+A1386 : HOH
+A1387 : HOH
+A1389 : HOH
+A1391 : HOH
+A1393 : HOH
+A1394 : HOH
+A1395 : HOH
+A1396 : HOH
+A1397 : HOH
+A1399 : HOH
+A1400 : HOH
+A1401 : HOH
+A1403 : HOH
+A1404 : HOH
+A1405 : HOH
+A1406 : HOH
+A1407 : HOH
+A1409 : HOH
+A1410 : HOH
+A1413 : HOH
+A1414 : HOH
+A1415 : HOH
+A1417 : HOH
+A1419 : HOH
+A1420 : HOH
+A1421 : HOH
+A1422 : HOH
+A1424 : HOH
+A1426 : HOH
+A1428 : HOH
+A1430 : HOH
+A1432 : HOH
+A1433 : HOH
+A1435 : HOH
+A1436 : HOH
+A1437 : HOH
+A1439 : HOH
+A1440 : HOH
+A1441 : HOH
+A1442 : HOH
+A1443 : HOH
+A1444 : HOH
+A1445 : HOH
+A1446 : HOH
+A1447 : HOH
+A1448 : HOH
+A1450 : HOH
+A1451 : HOH
+A1452 : HOH
+A1454 : HOH
+A1456 : HOH
+A1457 : HOH
+A1458 : HOH
+A1459 : HOH
+A1460 : HOH
+A1461 : HOH
+A1462 : HOH
+A1463 : HOH
+A1464 : HOH
+A1466 : HOH
+A1467 : HOH
+A1468 : HOH
+A1469 : HOH
+A1470 : HOH
+A1472 : HOH
+A1473 : HOH
+A1474 : HOH
+A1475 : HOH
+A1476 : HOH
+A1477 : HOH
+A1478 : HOH
+A1480 : HOH
+A1481 : HOH
+A1482 : HOH
+A1484 : HOH
+A1486 : HOH
+A1487 : HOH
+A1488 : HOH
+A1489 : HOH
+A1490 : HOH
+A1491 : HOH
+A1492 : HOH
+A1494 : HOH
+A1495 : HOH
+A1497 : HOH
+A1498 : HOH
+A1499 : HOH
+A1500 : HOH
+A1501 : HOH
+A1504 : HOH
+A1506 : HOH
+A1507 : HOH
+A1511 : HOH
+A1512 : HOH
+Adjacent stackings ----------------------------------------------
+B601-B602 : adjacent_5p upward 
+B602-B603 : adjacent_5p upward 
+B603-B604 : adjacent_5p upward 
+B604-B605 : adjacent_5p upward 
+B606-B607 : adjacent_5p upward 
+B610-B611 : adjacent_5p upward 
+B611-B612 : adjacent_5p upward 
+B612-B613 : adjacent_5p upward 
+B614-B615 : adjacent_5p upward 
+B622-B623 : adjacent_5p upward 
+B623-B624 : adjacent_5p upward 
+B624-B625 : adjacent_5p upward 
+B625-B626 : adjacent_5p upward 
+B626-B627 : adjacent_5p upward 
+B627-B628 : adjacent_5p upward 
+B628-B629 : adjacent_5p upward 
+B630-B631 : adjacent_5p upward 
+B631-B632 : adjacent_5p upward 
+B635-B636 : adjacent_5p upward 
+B638-B639 : adjacent_5p upward 
+B639-B640 : adjacent_5p upward 
+B640-B641 : adjacent_5p upward 
+B641-B642 : adjacent_5p upward 
+B642-B643 : adjacent_5p upward 
+B643-B644 : adjacent_5p upward 
+B644-B645 : adjacent_5p upward 
+B649-B650 : adjacent_5p upward 
+B650-B651 : adjacent_5p upward 
+B651-B652 : adjacent_5p upward 
+B652-B653 : adjacent_5p upward 
+B656-B657 : adjacent_5p upward 
+B659-B660 : adjacent_5p upward 
+B662-B663 : adjacent_5p upward 
+B663-B664 : adjacent_5p upward 
+B666-B667 : adjacent_5p upward 
+B667-B668 : adjacent_5p upward 
+B668-B669 : adjacent_5p upward 
+B670-B671 : adjacent_5p upward 
+B672-B673 : adjacent_5p upward 
+B673-B674 : adjacent_5p upward pairing 
+B674-B675 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+B606-B668 : outward 
+B607-B649 : upward 
+B609-B645 : inward 
+B614-B622 : outward 
+B615-B659 : upward 
+B618-B657 : inward pairing 
+B618-B658 : outward 
+B619-B657 : outward 
+B621-B648 : outward 
+B630-B641 : outward 
+B651-B664 : outward 
+B658-B661 : upward 
+Number of stackings = 53
+Number of adjacent stackings = 41
+Number of non adjacent stackings = 12
+Base-pairs ------------------------------------------------------
+B601-B672 : G-C Ww/Ww pairing antiparallel cis XIX 
+B602-B671 : G-C Ww/Ww pairing antiparallel cis XIX 
+B603-B670 : A-U Ww/Ww pairing antiparallel cis XX 
+B604-B669 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+B605-B668 : C-G Ww/Ww pairing antiparallel cis XIX 
+B606-B667 : G-C Ww/Ww pairing antiparallel cis XIX 
+B607-B666 : G-C Ww/Ww pairing antiparallel cis XIX 
+B609-B610 : A-G O2'/Hh adjacent_5p pairing 
+B609-B623 : A-A Hh/Hh pairing parallel trans II 
+B610-B625 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+B611-B624 : U-A Ww/Ww pairing antiparallel cis XX 
+B612-B623 : U-A Ww/Ww pairing antiparallel cis XX 
+B613-B622 : C-G Ww/Ww pairing antiparallel cis XIX 
+B615-B648 : G-C Ww/Ww pairing parallel trans XXII 
+B618-B657 : G-G O2'/Bs inward pairing 
+B619-B656 : G-C Ww/Ww pairing antiparallel cis XIX 
+B621-B647 : A-U O2P/Ww pairing 
+B625-B645 : U-G Wh/Ws pairing antiparallel cis one_hbond 94 
+B626-B644 : A-G Ww/Ww pairing antiparallel cis VIII 
+B627-B643 : C-G Ww/Ww pairing antiparallel cis XIX 
+B628-B642 : C-G Ww/Ww pairing antiparallel cis XIX 
+B629-B641 : U-A Ww/Ww pairing antiparallel cis XX 
+B630-B640 : G-C Ww/Ww pairing antiparallel cis XIX 
+B631-B639 : C-G Ww/Ww pairing antiparallel cis 
+B632-B638 : C-C Ws/Wh pairing antiparallel cis one_hbond 137 
+B650-B664 : C-G Ww/Ww pairing antiparallel cis XIX 
+B651-B663 : G-C Ww/Ww pairing antiparallel cis XIX 
+B652-B662 : G-C Ww/Ww pairing antiparallel cis XIX 
+B653-B661 : G-C Ww/Ww pairing antiparallel cis XIX 
+B660-B661 : U-C O2P/Bh adjacent_5p pairing 
+B673-B674 : G-C O2P/Bh adjacent_5p upward pairing 
diff --git a/MCdata/1c0o_MC b/MCdata/1c0o_MC
new file mode 100644
index 0000000000000000000000000000000000000000..5670021c0d4f6465070384feea7c447ce616c1f9
--- /dev/null
+++ b/MCdata/1c0o_MC
@@ -0,0 +1,744 @@
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : G C3p_endo anti
+A4 : U C3p_endo anti
+A5 : C C3p_endo anti
+A6 : U C3p_endo anti
+A7 : U C2p_endo anti
+A8 : C C2p_endo anti
+A9 : G C3p_endo syn
+A10 : G C3p_endo anti
+A11 : G C3p_endo anti
+A12 : U C3p_endo anti
+A13 : C C3p_endo anti
+A14 : C C3p_endo anti
+A15 : NCO
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A9-A10 : adjacent_5p outward pairing 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 9
+Number of adjacent stackings = 9
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A1-A14 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A13 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A12 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+A4-A11 : U-G Ws/Ww pairing antiparallel cis XXVIII 
+A5-A10 : C-G Ww/Ww pairing antiparallel cis XIX 
+A7-A8 : U-C O2P/Bh adjacent_5p pairing 
+A7-A9 : U-G O2'/Hh pairing 
+A9-A10 : G-G Bs/O2P adjacent_5p outward pairing 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : G C3p_endo anti
+A4 : U C3p_endo anti
+A5 : C C3p_endo anti
+A6 : U C3p_endo anti
+A7 : U C2p_endo anti
+A8 : C C2p_endo anti
+A9 : G C3p_endo syn
+A10 : G C3p_endo anti
+A11 : G C3p_endo anti
+A12 : U C3p_endo anti
+A13 : C C3p_endo anti
+A14 : C C3p_endo anti
+A15 : NCO
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A9-A10 : adjacent_5p outward pairing 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 8
+Number of adjacent stackings = 8
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A1-A14 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A13 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A12 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+A4-A11 : U-G Ws/Ww pairing antiparallel cis XXVIII 
+A5-A10 : C-G Ww/Ww pairing antiparallel cis XIX 
+A7-A8 : U-C O2P/Bh adjacent_5p pairing 
+A7-A9 : U-G O2'/Hh pairing 
+A9-A10 : G-G Bs/O2P adjacent_5p outward pairing 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : G C3p_endo anti
+A4 : U C3p_endo anti
+A5 : C C3p_endo anti
+A6 : U C3p_endo anti
+A7 : U C2p_endo anti
+A8 : C C2p_endo anti
+A9 : G C3p_endo syn
+A10 : G C3p_endo anti
+A11 : G C3p_endo anti
+A12 : U C3p_endo anti
+A13 : C C3p_endo anti
+A14 : C C3p_endo anti
+A15 : NCO
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A9-A10 : adjacent_5p outward pairing 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 10
+Number of adjacent stackings = 10
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A1-A14 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A13 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A12 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+A4-A11 : U-G Ws/Ww pairing antiparallel cis XXVIII 
+A5-A10 : C-G Ww/Ww pairing antiparallel cis XIX 
+A6-A9 : U-G Bs/Ww pairing parallel trans one_hbond 
+A7-A8 : U-C O2P/Bh adjacent_5p pairing 
+A7-A9 : U-G O2'/Hh pairing 
+A9-A10 : G-G Bs/O2P adjacent_5p outward pairing 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : G C3p_endo anti
+A4 : U C3p_endo anti
+A5 : C C3p_endo anti
+A6 : U C3p_endo anti
+A7 : U C2p_endo anti
+A8 : C C2p_endo anti
+A9 : G C3p_endo syn
+A10 : G C3p_endo anti
+A11 : G C3p_endo anti
+A12 : U C3p_endo anti
+A13 : C C3p_endo anti
+A14 : C C3p_endo anti
+A15 : NCO
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A9-A10 : adjacent_5p outward pairing 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 9
+Number of adjacent stackings = 9
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A1-A14 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A13 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A12 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+A4-A11 : U-G Ws/Ww pairing antiparallel cis XXVIII 
+A5-A10 : C-G Ww/Ww pairing antiparallel cis XIX 
+A7-A8 : U-C O2P/Bh adjacent_5p pairing 
+A7-A9 : U-G O2'/Hh pairing 
+A9-A10 : G-G Bs/O2P adjacent_5p outward pairing 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : G C3p_endo anti
+A4 : U C3p_endo anti
+A5 : C C3p_endo anti
+A6 : U C3p_endo anti
+A7 : U C2p_endo anti
+A8 : C C2p_endo anti
+A9 : G C3p_endo syn
+A10 : G C3p_endo anti
+A11 : G C3p_endo anti
+A12 : U C3p_endo anti
+A13 : C C3p_endo anti
+A14 : C C3p_endo anti
+A15 : NCO
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A9-A10 : adjacent_5p outward pairing 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 8
+Number of adjacent stackings = 8
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A1-A14 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A13 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A12 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+A4-A11 : U-G Ws/Ww pairing antiparallel cis XXVIII 
+A5-A10 : C-G Ww/Ww pairing antiparallel cis XIX 
+A7-A8 : U-C O2P/Bh adjacent_5p pairing 
+A7-A9 : U-G O2'/Hh pairing 
+A9-A10 : G-G Bs/O2P adjacent_5p outward pairing 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : G C3p_endo anti
+A4 : U C3p_endo anti
+A5 : C C3p_endo anti
+A6 : U C3p_endo anti
+A7 : U C2p_endo anti
+A8 : C C2p_endo anti
+A9 : G C3p_endo syn
+A10 : G C3p_endo anti
+A11 : G C3p_endo anti
+A12 : U C3p_endo anti
+A13 : C C3p_endo anti
+A14 : C C3p_endo anti
+A15 : NCO
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A9-A10 : adjacent_5p outward pairing 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 9
+Number of adjacent stackings = 9
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A1-A14 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A13 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A12 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+A4-A11 : U-G Ws/Ww pairing antiparallel cis XXVIII 
+A5-A10 : C-G Ww/Ww pairing antiparallel cis XIX 
+A7-A8 : U-C O2P/Bh adjacent_5p pairing 
+A7-A9 : U-G O2'/Hh pairing 
+A9-A10 : G-G Bs/O2P adjacent_5p outward pairing 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : G C3p_endo anti
+A4 : U C3p_endo anti
+A5 : C C3p_endo anti
+A6 : U C3p_endo anti
+A7 : U C2p_endo anti
+A8 : C C2p_endo anti
+A9 : G C3p_endo syn
+A10 : G C3p_endo anti
+A11 : G C3p_endo anti
+A12 : U C3p_endo anti
+A13 : C C3p_endo anti
+A14 : C C3p_endo anti
+A15 : NCO
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A9-A10 : adjacent_5p outward pairing 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 8
+Number of adjacent stackings = 8
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A1-A14 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A13 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A12 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+A4-A11 : U-G Ws/Ww pairing antiparallel cis XXVIII 
+A5-A10 : C-G Ww/Ww pairing antiparallel cis XIX 
+A6-A9 : U-G Bs/Ww pairing parallel trans one_hbond 
+A7-A8 : U-C O2P/Bh adjacent_5p pairing 
+A7-A9 : U-G O2'/Hh pairing 
+A9-A10 : G-G Bs/O2P adjacent_5p outward pairing 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : G C3p_endo anti
+A4 : U C3p_endo anti
+A5 : C C3p_endo anti
+A6 : U C3p_endo anti
+A7 : U C2p_endo anti
+A8 : C C2p_endo anti
+A9 : G C3p_endo syn
+A10 : G C3p_endo anti
+A11 : G C3p_endo anti
+A12 : U C3p_endo anti
+A13 : C C3p_endo anti
+A14 : C C3p_endo anti
+A15 : NCO
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A9-A10 : adjacent_5p outward pairing 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 9
+Number of adjacent stackings = 9
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A1-A14 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A13 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A12 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+A4-A11 : U-G Ws/Ww pairing antiparallel cis XXVIII 
+A5-A10 : C-G Ww/Ww pairing antiparallel cis XIX 
+A7-A8 : U-C O2P/Bh adjacent_5p pairing 
+A7-A9 : U-G O2'/Hh pairing 
+A9-A10 : G-G Bs/O2P adjacent_5p outward pairing 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : G C3p_endo anti
+A4 : U C3p_endo anti
+A5 : C C3p_endo anti
+A6 : U C3p_endo anti
+A7 : U C2p_endo anti
+A8 : C C2p_endo anti
+A9 : G C3p_endo syn
+A10 : G C3p_endo anti
+A11 : G C3p_endo anti
+A12 : U C3p_endo anti
+A13 : C C3p_endo anti
+A14 : C C3p_endo anti
+A15 : NCO
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A9-A10 : adjacent_5p outward pairing 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 8
+Number of adjacent stackings = 8
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A1-A14 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A13 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A12 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+A4-A11 : U-G Ws/Ww pairing antiparallel cis XXVIII 
+A5-A10 : C-G Ww/Ww pairing antiparallel cis XIX 
+A6-A9 : U-G Bs/Ww pairing parallel trans one_hbond 
+A7-A8 : U-C O2P/Bh adjacent_5p pairing 
+A7-A9 : U-G O2'/Hh pairing 
+A9-A10 : G-G Bs/O2P adjacent_5p outward pairing 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : G C3p_endo anti
+A4 : U C3p_endo anti
+A5 : C C3p_endo anti
+A6 : U C3p_endo anti
+A7 : U C2p_endo anti
+A8 : C C2p_endo anti
+A9 : G C3p_endo syn
+A10 : G C3p_endo anti
+A11 : G C3p_endo anti
+A12 : U C3p_endo anti
+A13 : C C3p_endo anti
+A14 : C C3p_endo anti
+A15 : NCO
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A9-A10 : adjacent_5p outward pairing 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 9
+Number of adjacent stackings = 9
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A1-A14 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A13 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A12 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+A4-A11 : U-G Ws/Ww pairing antiparallel cis XXVIII 
+A5-A10 : C-G Ww/Ww pairing antiparallel cis XIX 
+A7-A8 : U-C O2P/Bh adjacent_5p pairing 
+A7-A9 : U-G O2'/Hh pairing 
+A9-A10 : G-G Bs/O2P adjacent_5p outward pairing 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : G C3p_endo anti
+A4 : U C3p_endo anti
+A5 : C C3p_endo anti
+A6 : U C3p_endo anti
+A7 : U C2p_endo anti
+A8 : C C2p_endo anti
+A9 : G C3p_endo syn
+A10 : G C3p_endo anti
+A11 : G C3p_endo anti
+A12 : U C3p_endo anti
+A13 : C C3p_endo anti
+A14 : C C3p_endo anti
+A15 : NCO
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A9-A10 : adjacent_5p outward pairing 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 8
+Number of adjacent stackings = 8
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A1-A14 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A13 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A12 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+A4-A11 : U-G Ws/Ww pairing antiparallel cis XXVIII 
+A5-A10 : C-G Ww/Ww pairing antiparallel cis XIX 
+A6-A9 : U-G Bs/Ww pairing parallel trans 87 
+A7-A8 : U-C O2P/Bh adjacent_5p pairing 
+A7-A9 : U-G O2'/Hh pairing 
+A9-A10 : G-G Bs/O2P adjacent_5p outward pairing 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : G C3p_endo anti
+A4 : U C3p_endo anti
+A5 : C C3p_endo anti
+A6 : U C3p_endo anti
+A7 : U C2p_endo anti
+A8 : C C2p_endo anti
+A9 : G C3p_endo syn
+A10 : G C3p_endo anti
+A11 : G C3p_endo anti
+A12 : U C3p_endo anti
+A13 : C C3p_endo anti
+A14 : C C3p_endo anti
+A15 : NCO
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 7
+Number of adjacent stackings = 7
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A1-A14 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A13 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A12 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+A4-A11 : U-G Ws/Ww pairing antiparallel cis XXVIII 
+A5-A10 : C-G Ww/Ww pairing antiparallel cis XIX 
+A6-A9 : U-G Bs/Ww pairing parallel trans 87 
+A7-A8 : U-C O2P/Bh adjacent_5p pairing 
+A7-A9 : U-G O2'/Hh pairing 
+A9-A10 : G-G Bs/O2P adjacent_5p pairing 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : G C3p_endo anti
+A4 : U C3p_endo anti
+A5 : C C3p_endo anti
+A6 : U C3p_endo anti
+A7 : U C2p_endo anti
+A8 : C C2p_endo anti
+A9 : G C3p_endo syn
+A10 : G C3p_endo anti
+A11 : G C3p_endo anti
+A12 : U C3p_endo anti
+A13 : C C3p_endo anti
+A14 : C C3p_endo anti
+A15 : NCO
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A9-A10 : adjacent_5p outward pairing 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 10
+Number of adjacent stackings = 10
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A1-A14 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A13 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A12 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+A4-A11 : U-G Ws/Ww pairing antiparallel cis XXVIII 
+A5-A10 : C-G Ww/Ww pairing antiparallel cis XIX 
+A7-A8 : U-C O2P/Bh adjacent_5p pairing 
+A7-A9 : U-G O2'/Hh pairing 
+A9-A10 : G-G Bs/O2P adjacent_5p outward pairing 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : G C3p_endo anti
+A4 : U C3p_endo anti
+A5 : C C3p_endo anti
+A6 : U C3p_endo anti
+A7 : U C2p_endo anti
+A8 : C C2p_endo anti
+A9 : G C3p_endo syn
+A10 : G C3p_endo anti
+A11 : G C3p_endo anti
+A12 : U C3p_endo anti
+A13 : C C3p_endo anti
+A14 : C C3p_endo anti
+A15 : NCO
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A9-A10 : adjacent_5p outward pairing 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 8
+Number of adjacent stackings = 8
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A1-A14 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A13 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A12 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+A4-A11 : U-G Ws/Ww pairing antiparallel cis XXVIII 
+A5-A10 : C-G Ww/Ww pairing antiparallel cis XIX 
+A6-A9 : U-G Bs/Ww pairing parallel trans one_hbond 
+A7-A8 : U-C O2P/Bh adjacent_5p pairing 
+A7-A9 : U-G O2'/Hh pairing 
+A9-A10 : G-G Bs/O2P adjacent_5p outward pairing 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : G C3p_endo anti
+A4 : U C3p_endo anti
+A5 : C C3p_endo anti
+A6 : U C3p_endo anti
+A7 : U C2p_endo anti
+A8 : C C2p_endo anti
+A9 : G C3p_endo syn
+A10 : G C3p_endo anti
+A11 : G C3p_endo anti
+A12 : U C3p_endo anti
+A13 : C C3p_endo anti
+A14 : C C3p_endo anti
+A15 : NCO
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A9-A10 : adjacent_5p outward pairing 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 10
+Number of adjacent stackings = 10
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A1-A14 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A13 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A12 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+A4-A11 : U-G Ws/Ww pairing antiparallel cis XXVIII 
+A5-A10 : C-G Ww/Ww pairing antiparallel cis XIX 
+A7-A8 : U-C O2P/Bh adjacent_5p pairing 
+A7-A9 : U-G O2'/Hh pairing 
+A9-A10 : G-G Bs/O2P adjacent_5p outward pairing 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : G C3p_endo anti
+A4 : U C3p_endo anti
+A5 : C C3p_endo anti
+A6 : U C3p_endo anti
+A7 : U C2p_endo anti
+A8 : C C2p_endo anti
+A9 : G C3p_endo syn
+A10 : G C3p_endo anti
+A11 : G C3p_endo anti
+A12 : U C3p_endo anti
+A13 : C C3p_endo anti
+A14 : C C3p_endo anti
+A15 : NCO
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A9-A10 : adjacent_5p outward pairing 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 9
+Number of adjacent stackings = 9
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A1-A14 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A13 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A12 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+A4-A11 : U-G Ws/Ww pairing antiparallel cis XXVIII 
+A5-A10 : C-G Ww/Ww pairing antiparallel cis XIX 
+A7-A8 : U-C O2P/Bh adjacent_5p pairing 
+A7-A9 : U-G O2'/Hh pairing 
+A9-A10 : G-G Bs/O2P adjacent_5p outward pairing 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : G C3p_endo anti
+A4 : U C3p_endo anti
+A5 : C C3p_endo anti
+A6 : U C3p_endo anti
+A7 : U C2p_endo anti
+A8 : C C2p_endo anti
+A9 : G C3p_endo syn
+A10 : G C3p_endo anti
+A11 : G C3p_endo anti
+A12 : U C3p_endo anti
+A13 : C C3p_endo anti
+A14 : C C3p_endo anti
+A15 : NCO
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A9-A10 : adjacent_5p outward pairing 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 10
+Number of adjacent stackings = 10
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A1-A14 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A13 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A12 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+A4-A11 : U-G Ws/Ww pairing antiparallel cis XXVIII 
+A5-A10 : C-G Ww/Ww pairing antiparallel cis XIX 
+A6-A9 : U-G Bs/Ww pairing parallel trans one_hbond 
+A7-A8 : U-C O2P/Bh adjacent_5p pairing 
+A7-A9 : U-G O2'/Hh pairing 
+A9-A10 : G-G Bs/O2P adjacent_5p outward pairing 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : G C3p_endo anti
+A4 : U C3p_endo anti
+A5 : C C3p_endo anti
+A6 : U C3p_endo anti
+A7 : U C2p_endo anti
+A8 : C C2p_endo anti
+A9 : G C3p_endo syn
+A10 : G C3p_endo anti
+A11 : G C3p_endo anti
+A12 : U C3p_endo anti
+A13 : C C3p_endo anti
+A14 : C C3p_endo anti
+A15 : NCO
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A9-A10 : adjacent_5p outward pairing 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 8
+Number of adjacent stackings = 8
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A1-A14 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A13 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A12 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+A4-A11 : U-G Ws/Ww pairing antiparallel cis XXVIII 
+A5-A10 : C-G Ww/Ww pairing antiparallel cis XIX 
+A7-A8 : U-C O2P/Bh adjacent_5p pairing 
+A7-A9 : U-G O2'/Hh pairing 
+A9-A10 : G-G Bs/O2P adjacent_5p outward pairing 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : G C3p_endo anti
+A4 : U C3p_endo anti
+A5 : C C3p_endo anti
+A6 : U C3p_endo anti
+A7 : U C2p_endo anti
+A8 : C C2p_endo anti
+A9 : G C3p_endo syn
+A10 : G C3p_endo anti
+A11 : G C3p_endo anti
+A12 : U C3p_endo anti
+A13 : C C3p_endo anti
+A14 : C C3p_endo anti
+A15 : NCO
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A9-A10 : adjacent_5p outward pairing 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 10
+Number of adjacent stackings = 10
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A1-A14 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A13 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A12 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+A4-A11 : U-G Ws/Ww pairing antiparallel cis XXVIII 
+A5-A10 : C-G Ww/Ww pairing antiparallel cis XIX 
+A7-A8 : U-C O2P/Bh adjacent_5p pairing 
+A7-A9 : U-G O2'/Hh pairing 
+A9-A10 : G-G Bs/O2P adjacent_5p outward pairing 
diff --git a/MCdata/1c2q_MC b/MCdata/1c2q_MC
new file mode 100644
index 0000000000000000000000000000000000000000..aa67b6d6eb2266582cdb4e385d7d9447e759f75e
--- /dev/null
+++ b/MCdata/1c2q_MC
@@ -0,0 +1,50 @@
+Residue conformations -------------------------------------------
+A1 : A O4p_endo anti
+A2 : T C1p_exo anti
+A3 : G C2p_endo anti
+A4 : G C2p_endo anti
+A5 : T3P
+A6 : G C4p_exo anti
+A7 : C C3p_endo anti
+A8 : T O4p_endo anti
+A9 : C C4p_exo anti
+B10 : G C4p_exo anti
+B11 : A C3p_endo anti
+B12 : G C3p_endo anti
+B13 : C C3p_endo anti
+B14 : A C3p_endo anti
+B15 : C C3p_endo anti
+B16 : C C3p_endo anti
+B17 : A C3p_endo anti
+B18 : U C4p_exo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+B10-B11 : adjacent_5p upward 
+B11-B12 : adjacent_5p upward 
+B12-B13 : adjacent_5p upward 
+B13-B14 : adjacent_5p upward 
+B14-B15 : adjacent_5p upward 
+B15-B16 : adjacent_5p upward 
+B16-B17 : adjacent_5p upward 
+B17-B18 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A3-B17 : outward 
+A6-B14 : outward 
+Number of stackings = 16
+Number of adjacent stackings = 14
+Number of non adjacent stackings = 2
+Base-pairs ------------------------------------------------------
+A1-B18 : A-U Ww/Ww pairing antiparallel cis XX 
+A2-B17 : T-A Ww/Ww pairing antiparallel cis 
+A3-B16 : G-C Ww/Ww pairing antiparallel cis XIX 
+A4-B15 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-B14 : T3P-A pairing antiparallel one_hbond 
+A6-B13 : G-C Ww/Ww pairing antiparallel cis XIX 
+A7-B12 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-B11 : T-A Ww/Ww pairing antiparallel cis 
+A9-B10 : C-G Ww/Ww pairing antiparallel cis XIX 
diff --git a/MCdata/1c2w_MC b/MCdata/1c2w_MC
new file mode 100644
index 0000000000000000000000000000000000000000..e0386f6d2c17f3dcf1633c0aafea9897e8e1a119
--- /dev/null
+++ b/MCdata/1c2w_MC
@@ -0,0 +1,6098 @@
+Residue conformations -------------------------------------------
+B1 : G C3p_endo anti
+B2 : G C3p_endo anti
+B3 : U C3p_endo anti
+B4 : U C3p_endo anti
+B5 : A C3p_endo anti
+B6 : A C3p_endo anti
+B7 : G C3p_endo anti
+B8 : C C3p_endo anti
+B9 : G C3p_endo anti
+B10 : A C3p_endo syn
+B11 : C C3p_endo syn
+B12 : U C3p_endo anti
+B13 : A C3p_endo anti
+B14 : A C3p_endo anti
+B15 : G C3p_endo anti
+B16 : C C3p_endo anti
+B17 : G C3p_endo anti
+B18 : U C3p_endo anti
+B19 : A C3p_endo anti
+B20 : C C3p_endo anti
+B21 : A C3p_endo anti
+B22 : C C3p_endo anti
+B23 : G C3p_endo anti
+B24 : G C3p_endo anti
+B25 : U C3p_endo anti
+B26 : G C3p_endo anti
+B27 : G C3p_endo anti
+B28 : A C3p_endo anti
+B29 : U C3p_endo anti
+B30 : G C3p_endo anti
+B31 : C C3p_endo anti
+B32 : C C3p_endo anti
+B33 : C C3p_endo anti
+B34 : U C3p_endo syn
+B35 : G C3p_endo anti
+B36 : G C3p_endo anti
+B37 : C C3p_endo anti
+B38 : A C3p_endo anti
+B39 : G C3p_endo anti
+B40 : U C3p_endo anti
+B41 : C C3p_endo anti
+B42 : A C3p_endo anti
+B43 : G C3p_endo anti
+B44 : A C3p_endo anti
+B45 : G C3p_endo anti
+B46 : G C3p_endo anti
+B47 : C C3p_endo anti
+B48 : G C3p_endo anti
+B49 : A C3p_endo anti
+B50 : U C3p_endo anti
+B51 : G C3p_endo anti
+B52 : A C3p_endo anti
+B53 : A C3p_endo syn
+B54 : G C3p_endo anti
+B55 : G C3p_endo anti
+B56 : A C3p_endo anti
+B57 : C C3p_endo anti
+B58 : G C3p_endo anti
+B59 : U C3p_endo anti
+B60 : G C3p_endo syn
+B61 : C C3p_endo anti
+B62 : U C3p_endo anti
+B63 : A C3p_endo anti
+B64 : A C3p_endo syn
+B65 : U C3p_endo anti
+B66 : C C3p_endo anti
+B67 : U C3p_endo anti
+B68 : G C3p_endo anti
+B69 : C C3p_endo anti
+B70 : G C3p_endo anti
+B71 : A C3p_endo anti
+B72 : U C3p_endo anti
+B73 : A C3p_endo anti
+B74 : A C3p_endo anti
+B75 : G C3p_endo syn
+B76 : C C3p_endo anti
+B77 : G C3p_endo anti
+B78 : U C3p_endo anti
+B79 : C C3p_endo anti
+B80 : G C3p_endo anti
+B81 : G C3p_endo anti
+B82 : U C3p_endo anti
+B83 : A C3p_endo syn
+B84 : A C3p_endo syn
+B85 : G C3p_endo anti
+B86 : G C3p_endo anti
+B87 : U C3p_endo anti
+B88 : G C3p_endo anti
+B89 : A C3p_endo anti
+B90 : U C3p_endo anti
+B91 : A C3p_endo anti
+B92 : U C3p_endo anti
+B93 : G C3p_endo anti
+B94 : A C3p_endo syn
+B95 : A C3p_endo anti
+B96 : C C3p_endo anti
+B97 : C C3p_endo anti
+B98 : G C3p_endo syn
+B99 : U C3p_endo anti
+B100 : U C3p_endo anti
+B101 : A C3p_endo syn
+B102 : U C3p_endo anti
+B103 : A C3p_endo syn
+B104 : A C3p_endo anti
+B105 : C C3p_endo anti
+B106 : C C3p_endo anti
+B107 : G C3p_endo anti
+B108 : G C3p_endo anti
+B109 : C C3p_endo anti
+B110 : G C3p_endo anti
+B111 : A C3p_endo anti
+B112 : U C3p_endo anti
+B113 : U C3p_endo anti
+B114 : U C3p_endo anti
+B115 : C C3p_endo anti
+B116 : C C3p_endo anti
+B117 : G C3p_endo anti
+B118 : A C3p_endo anti
+B119 : A C3p_endo anti
+B120 : U C3p_endo anti
+B121 : G C3p_endo anti
+B122 : G C3p_endo anti
+B123 : G C3p_endo anti
+B124 : G C3p_endo anti
+B125 : A C3p_endo anti
+B126 : A C3p_endo anti
+B127 : A C3p_endo anti
+B128 : C C3p_endo anti
+B129 : C C3p_endo anti
+B130 : C C3p_endo anti
+B131 : A C3p_endo anti
+B132 : G C3p_endo anti
+B133 : U C3p_endo anti
+B134 : G C3p_endo anti
+B135 : U C3p_endo anti
+B136 : G C3p_endo anti
+B137 : U C3p_endo anti
+B138 : U C3p_endo anti
+B139 : U C3p_endo syn
+B140 : C C3p_endo anti
+B141 : G C3p_endo syn
+B142 : A C3p_endo anti
+B143 : C C3p_endo anti
+B144 : A C3p_endo anti
+B145 : C C3p_endo anti
+B146 : A C3p_endo anti
+B147 : C C3p_endo anti
+B148 : U C3p_endo anti
+B149 : A C3p_endo anti
+B150 : U C3p_endo anti
+B151 : C C3p_endo anti
+B152 : A C3p_endo anti
+B153 : U C3p_endo anti
+B154 : U C3p_endo anti
+B155 : A C3p_endo anti
+B156 : A C3p_endo anti
+B157 : C C3p_endo anti
+B158 : U C3p_endo anti
+B159 : G C3p_endo anti
+B160 : A C3p_endo anti
+B161 : A C3p_endo anti
+B162 : U C3p_endo anti
+B163 : C C3p_endo anti
+B164 : C C3p_endo anti
+B165 : A C3p_endo anti
+B166 : U C3p_endo anti
+B167 : A C3p_endo anti
+B168 : G C3p_endo anti
+B169 : G C3p_endo anti
+B170 : U C3p_endo anti
+B171 : U C3p_endo anti
+B172 : A C3p_endo anti
+B173 : A C3p_endo anti
+B174 : U C3p_endo anti
+B175 : G C3p_endo anti
+B176 : A C3p_endo anti
+B177 : G C3p_endo syn
+B178 : G C3p_endo syn
+B179 : C C3p_endo anti
+B180 : G C3p_endo anti
+B181 : A C3p_endo anti
+B182 : A C3p_endo anti
+B183 : C C3p_endo anti
+B184 : C C3p_endo anti
+B185 : G C3p_endo anti
+B186 : G C3p_endo anti
+B187 : G C3p_endo anti
+B188 : G C3p_endo anti
+B189 : G C3p_endo anti
+B190 : A C3p_endo anti
+B191 : A C3p_endo anti
+B192 : C C3p_endo anti
+B193 : U C3p_endo anti
+B194 : G C3p_endo anti
+B195 : A C3p_endo anti
+B196 : A C3p_endo anti
+B197 : A C3p_endo anti
+B198 : C C3p_endo anti
+B199 : A C3p_endo anti
+B200 : U C3p_endo anti
+B201 : C C3p_endo anti
+B202 : U C3p_endo anti
+B203 : A C3p_endo anti
+B204 : A C3p_endo anti
+B205 : G C3p_endo anti
+B206 : U C3p_endo anti
+B207 : A C3p_endo anti
+B208 : C C3p_endo anti
+B209 : C C3p_endo anti
+B210 : C C3p_endo anti
+B211 : C C3p_endo anti
+B212 : G C3p_endo anti
+B213 : A C3p_endo syn
+B214 : G C3p_endo syn
+B215 : G C3p_endo anti
+B216 : A C3p_endo anti
+B217 : A C3p_endo anti
+B218 : A C3p_endo anti
+B219 : A C3p_endo anti
+B220 : G C3p_endo syn
+B221 : A C3p_endo syn
+B222 : A C3p_endo anti
+B223 : A C3p_endo syn
+B224 : U C3p_endo anti
+B225 : C C3p_endo anti
+B226 : A C3p_endo anti
+B227 : A C3p_endo syn
+B228 : C C3p_endo anti
+B229 : C C3p_endo anti
+B230 : G C3p_endo anti
+B231 : A C3p_endo anti
+B232 : G C3p_endo syn
+B233 : A C3p_endo anti
+B234 : U C3p_endo anti
+B235 : U C3p_endo anti
+B236 : C C3p_endo anti
+B237 : C C3p_endo anti
+B238 : C C3p_endo anti
+B239 : C C3p_endo anti
+B240 : C C3p_endo anti
+B241 : A C3p_endo syn
+B242 : G C3p_endo syn
+B243 : U C3p_endo anti
+B244 : A C3p_endo anti
+B245 : G C3p_endo anti
+B246 : C C3p_endo anti
+B247 : G C3p_endo anti
+B248 : G C3p_endo anti
+B249 : C C3p_endo anti
+B250 : G C3p_endo anti
+B251 : A C3p_endo anti
+B252 : G C3p_endo anti
+B253 : C C3p_endo anti
+B254 : G C3p_endo syn
+B255 : A C3p_endo syn
+B256 : A C3p_endo anti
+B257 : C C3p_endo anti
+B258 : G C3p_endo anti
+B259 : G C3p_endo anti
+B260 : G C3p_endo anti
+B261 : G C3p_endo anti
+B262 : A C3p_endo anti
+B263 : G C3p_endo syn
+B264 : C C3p_endo anti
+B265 : A C3p_endo anti
+B266 : G C3p_endo anti
+B267 : C C3p_endo anti
+B268 : C C3p_endo anti
+B269 : C C3p_endo syn
+B270 : A C3p_endo anti
+B271 : G C3p_endo anti
+B272 : A C3p_endo anti
+B273 : G C3p_endo anti
+B274 : C C3p_endo anti
+B275 : C C3p_endo anti
+B276 : U C3p_endo anti
+B277 : G C3p_endo syn
+B278 : A C3p_endo anti
+B279 : A C3p_endo syn
+B280 : U C3p_endo anti
+B281 : C C3p_endo anti
+B282 : A C3p_endo anti
+B283 : G C3p_endo anti
+B284 : U C3p_endo anti
+B285 : G C3p_endo anti
+B286 : U C3p_endo anti
+B287 : G C3p_endo anti
+B288 : U C3p_endo anti
+B289 : G C3p_endo anti
+B290 : U C3p_endo anti
+B291 : G C3p_endo anti
+B292 : U C3p_endo anti
+B293 : U C3p_endo anti
+B294 : A C3p_endo anti
+B295 : G C3p_endo anti
+B296 : U C3p_endo anti
+B297 : G C3p_endo anti
+B298 : G C3p_endo syn
+B299 : A C3p_endo anti
+B300 : A C3p_endo syn
+B301 : G C3p_endo anti
+B302 : C C3p_endo anti
+B303 : G C3p_endo anti
+B304 : U C3p_endo anti
+B305 : C C3p_endo anti
+B306 : U C3p_endo anti
+B307 : G C3p_endo anti
+B308 : G C3p_endo anti
+B309 : A C3p_endo anti
+B310 : A C3p_endo anti
+B311 : A C3p_endo anti
+B312 : G C3p_endo anti
+B313 : G C3p_endo anti
+B314 : C C3p_endo anti
+B315 : G C3p_endo anti
+B316 : C C3p_endo anti
+B317 : G C3p_endo anti
+B318 : C C3p_endo anti
+B319 : G C3p_endo anti
+B320 : A C3p_endo anti
+B321 : U C3p_endo anti
+B322 : A C3p_endo syn
+B323 : C C3p_endo anti
+B324 : A C3p_endo anti
+B325 : G C3p_endo anti
+B326 : G C3p_endo anti
+B327 : G C3p_endo anti
+B328 : U C3p_endo anti
+B329 : G C3p_endo anti
+B330 : A C3p_endo anti
+B331 : C C3p_endo anti
+B332 : A C3p_endo syn
+B333 : G C3p_endo anti
+B334 : C C3p_endo anti
+B335 : C C3p_endo anti
+B336 : C C3p_endo anti
+B337 : C C3p_endo anti
+B338 : G C3p_endo syn
+B339 : U C3p_endo syn
+B340 : A C3p_endo anti
+B341 : C C3p_endo anti
+B342 : A C3p_endo anti
+B343 : C C3p_endo anti
+B344 : A C3p_endo anti
+B345 : A C3p_endo anti
+B346 : A C3p_endo anti
+B347 : A C3p_endo anti
+B348 : A C3p_endo anti
+B349 : U C3p_endo anti
+B350 : G C3p_endo anti
+B351 : C C3p_endo anti
+B352 : A C3p_endo anti
+B353 : C C3p_endo anti
+B354 : A C3p_endo anti
+B355 : U C3p_endo anti
+B356 : G C3p_endo anti
+B357 : C C3p_endo anti
+B358 : U C3p_endo anti
+B359 : G C3p_endo anti
+B360 : U C3p_endo anti
+B361 : G C3p_endo syn
+B362 : A C3p_endo anti
+B363 : G C3p_endo anti
+B364 : C C3p_endo anti
+B365 : U C3p_endo anti
+B366 : C C3p_endo anti
+B367 : G C3p_endo anti
+B368 : A C3p_endo syn
+B369 : U C3p_endo anti
+B370 : G C3p_endo anti
+B371 : A C3p_endo anti
+B372 : G C3p_endo syn
+B373 : U C3p_endo anti
+B374 : A C3p_endo syn
+B375 : G C3p_endo anti
+B376 : G C3p_endo anti
+B377 : G C3p_endo anti
+B378 : C C3p_endo anti
+B379 : G C3p_endo anti
+B380 : G C3p_endo anti
+B381 : G C3p_endo anti
+B382 : A C3p_endo anti
+B383 : C C3p_endo anti
+B384 : A C3p_endo syn
+B385 : C C3p_endo anti
+B386 : G C3p_endo anti
+B387 : U C3p_endo anti
+B388 : G C3p_endo anti
+B389 : G C3p_endo anti
+B390 : U C3p_endo anti
+B391 : A C3p_endo anti
+B392 : U C3p_endo anti
+B393 : C C3p_endo anti
+B394 : C C3p_endo anti
+B395 : U C3p_endo anti
+B396 : G C3p_endo anti
+B397 : U C3p_endo anti
+B398 : C C3p_endo anti
+B399 : U C3p_endo anti
+B400 : G C3p_endo anti
+B401 : A C3p_endo syn
+B402 : A C3p_endo anti
+B403 : U C3p_endo anti
+B404 : A C3p_endo syn
+B405 : U C3p_endo anti
+B406 : G C3p_endo anti
+B407 : G C3p_endo anti
+B408 : G C3p_endo anti
+B409 : G C3p_endo anti
+B410 : G C3p_endo anti
+B411 : G C3p_endo anti
+B412 : A C3p_endo anti
+B413 : C C3p_endo anti
+B414 : C C3p_endo anti
+B415 : A C3p_endo anti
+B416 : U C3p_endo anti
+B417 : C C3p_endo anti
+B418 : C C3p_endo anti
+B419 : U C3p_endo anti
+B420 : C C3p_endo anti
+B421 : C C3p_endo anti
+B422 : A C3p_endo anti
+B423 : A C3p_endo anti
+B424 : G C3p_endo anti
+B425 : G C3p_endo anti
+B426 : C C3p_endo anti
+B427 : U C3p_endo anti
+B428 : A C3p_endo anti
+B429 : A C3p_endo anti
+B430 : A C3p_endo anti
+B431 : U C3p_endo anti
+B432 : A C3p_endo syn
+B433 : C C3p_endo anti
+B434 : U C3p_endo anti
+B435 : C C3p_endo anti
+B436 : C C3p_endo anti
+B437 : U C3p_endo anti
+B438 : G C3p_endo anti
+B439 : A C3p_endo anti
+B440 : C C3p_endo anti
+B441 : U C3p_endo anti
+B442 : G C3p_endo anti
+B443 : A C3p_endo anti
+B444 : C C3p_endo anti
+B445 : C C3p_endo anti
+B446 : G C3p_endo anti
+B447 : A C3p_endo anti
+B448 : U C3p_endo anti
+B449 : A C3p_endo syn
+B450 : G C3p_endo syn
+B451 : U C3p_endo anti
+B452 : G C3p_endo anti
+B453 : A C3p_endo anti
+B454 : A C3p_endo anti
+B455 : C C3p_endo anti
+B456 : C C3p_endo anti
+B457 : A C3p_endo syn
+B458 : G C3p_endo anti
+B459 : U C3p_endo anti
+B460 : A C3p_endo anti
+B461 : C C3p_endo anti
+B462 : C C3p_endo anti
+B463 : G C3p_endo anti
+B464 : U C3p_endo anti
+B465 : G C3p_endo syn
+B466 : A C3p_endo anti
+B467 : G C3p_endo anti
+B468 : G C3p_endo anti
+B469 : G C3p_endo anti
+B470 : A C3p_endo anti
+B471 : A C3p_endo anti
+B472 : A C3p_endo anti
+B473 : G C3p_endo anti
+B474 : G C3p_endo anti
+B475 : C C3p_endo anti
+B476 : G C3p_endo anti
+B477 : A C3p_endo syn
+B478 : A C3p_endo anti
+B479 : A C3p_endo anti
+B480 : A C3p_endo anti
+B481 : G C3p_endo syn
+B482 : A C3p_endo syn
+B483 : A C3p_endo anti
+B484 : C C3p_endo anti
+B485 : C C3p_endo anti
+B486 : C C3p_endo anti
+B487 : C C3p_endo anti
+B488 : G C3p_endo anti
+B489 : G C3p_endo syn
+B490 : C C3p_endo anti
+B491 : G C3p_endo anti
+B492 : A C3p_endo syn
+B493 : G C3p_endo anti
+B494 : G C3p_endo anti
+B495 : G C3p_endo anti
+B496 : G C3p_endo anti
+B497 : A C3p_endo syn
+B498 : G C3p_endo anti
+B499 : U C3p_endo anti
+B500 : G C3p_endo syn
+B501 : A C3p_endo anti
+B502 : A C3p_endo anti
+B503 : A C3p_endo anti
+B504 : A C3p_endo anti
+B505 : A C3p_endo syn
+B506 : G C3p_endo anti
+B507 : A C3p_endo anti
+B508 : A C3p_endo syn
+B509 : C C3p_endo anti
+B510 : C C3p_endo anti
+B511 : U C3p_endo anti
+B512 : G C3p_endo anti
+B513 : A C3p_endo syn
+B514 : A C3p_endo anti
+B515 : A C3p_endo anti
+B516 : C C3p_endo anti
+B517 : C C3p_endo anti
+B518 : G C3p_endo anti
+B519 : U C3p_endo anti
+B520 : G C3p_endo anti
+B521 : U C3p_endo anti
+B522 : A C3p_endo anti
+B523 : C C3p_endo anti
+B524 : G C3p_endo anti
+B525 : U C3p_endo anti
+B526 : A C3p_endo anti
+B527 : C C3p_endo anti
+B528 : A C3p_endo syn
+B529 : A C3p_endo anti
+B530 : G C3p_endo anti
+B531 : C C3p_endo anti
+B532 : A C3p_endo anti
+B533 : G C3p_endo anti
+B534 : U C3p_endo anti
+B535 : G C3p_endo anti
+B536 : G C3p_endo anti
+B537 : G C3p_endo syn
+B538 : A C3p_endo anti
+B539 : G C3p_endo anti
+B540 : C C3p_endo anti
+B541 : A C3p_endo anti
+B542 : C C3p_endo anti
+B543 : G C3p_endo anti
+B544 : C C3p_endo anti
+B545 : U C3p_endo anti
+B546 : U C3p_endo anti
+B547 : A C3p_endo anti
+B548 : G C3p_endo anti
+B549 : G C3p_endo anti
+B550 : C C3p_endo anti
+B551 : G C3p_endo anti
+B552 : U C3p_endo anti
+B553 : G C3p_endo anti
+B554 : U C3p_endo anti
+B555 : G C3p_endo anti
+B556 : A C3p_endo anti
+B557 : C C3p_endo anti
+B558 : U C3p_endo anti
+B559 : G C3p_endo anti
+B560 : C C3p_endo anti
+B561 : G C3p_endo anti
+B562 : U C3p_endo anti
+B563 : A C3p_endo anti
+B564 : C C3p_endo anti
+B565 : C C3p_endo anti
+B566 : U C3p_endo anti
+B567 : U C3p_endo anti
+B568 : U C3p_endo anti
+B569 : U C3p_endo anti
+B570 : G C3p_endo anti
+B571 : U C3p_endo anti
+B572 : A C3p_endo anti
+B573 : U C3p_endo anti
+B574 : A C3p_endo anti
+B575 : A C3p_endo anti
+B576 : U C3p_endo anti
+B577 : G C3p_endo syn
+B578 : G C3p_endo anti
+B579 : G C3p_endo anti
+B580 : U C3p_endo anti
+B581 : C C3p_endo anti
+B582 : A C3p_endo anti
+B583 : G C3p_endo anti
+B584 : C C3p_endo anti
+B585 : G C3p_endo anti
+B586 : A C3p_endo syn
+B587 : C C3p_endo syn
+B588 : U C3p_endo anti
+B589 : U C3p_endo anti
+B590 : A C3p_endo anti
+B591 : U C3p_endo anti
+B592 : A C3p_endo anti
+B593 : U C3p_endo anti
+B594 : U C3p_endo anti
+B595 : C C3p_endo anti
+B596 : U C3p_endo anti
+B597 : G C3p_endo anti
+B598 : U C3p_endo anti
+B599 : A C3p_endo anti
+B600 : G C3p_endo anti
+B601 : C C3p_endo anti
+B602 : A C3p_endo anti
+B603 : A C3p_endo anti
+B604 : G C3p_endo anti
+B605 : G C3p_endo anti
+B606 : U C3p_endo anti
+B607 : U C3p_endo anti
+B608 : A C3p_endo syn
+B609 : A C3p_endo syn
+B610 : C C3p_endo anti
+B611 : C C3p_endo anti
+B612 : G C3p_endo anti
+B613 : A C3p_endo anti
+B614 : A C3p_endo anti
+B615 : U C3p_endo anti
+B616 : A C3p_endo anti
+B617 : G C3p_endo anti
+B618 : G C3p_endo anti
+B619 : G C3p_endo anti
+B620 : G C3p_endo syn
+B621 : A C3p_endo anti
+B622 : G C3p_endo anti
+B623 : C C3p_endo anti
+B624 : C C3p_endo anti
+B625 : G C3p_endo anti
+B626 : A C3p_endo anti
+B627 : A C3p_endo syn
+B628 : G C3p_endo anti
+B629 : G C3p_endo anti
+B630 : G C3p_endo anti
+B631 : A C3p_endo anti
+B632 : A C3p_endo anti
+B633 : A C3p_endo syn
+B634 : C C3p_endo anti
+B635 : C C3p_endo anti
+B636 : G C3p_endo anti
+B637 : A C3p_endo anti
+B638 : G C3p_endo anti
+B639 : U C3p_endo anti
+B640 : C C3p_endo anti
+B641 : U C3p_endo anti
+B642 : U C3p_endo anti
+B643 : A C3p_endo anti
+B644 : A C3p_endo anti
+B645 : C C3p_endo anti
+B646 : U C3p_endo anti
+B647 : G C3p_endo anti
+B648 : G C3p_endo anti
+B649 : G C3p_endo anti
+B650 : C C3p_endo anti
+B651 : G C3p_endo anti
+B652 : U C3p_endo anti
+B653 : U C3p_endo anti
+B654 : A C3p_endo anti
+B655 : A C3p_endo anti
+B656 : G C3p_endo anti
+B657 : U C3p_endo anti
+B658 : U C3p_endo anti
+B659 : G C3p_endo anti
+B660 : C C3p_endo anti
+B661 : A C3p_endo anti
+B662 : G C3p_endo anti
+B663 : G C3p_endo anti
+B664 : G C3p_endo anti
+B665 : U C3p_endo anti
+B666 : A C3p_endo anti
+B667 : U C3p_endo anti
+B668 : A C3p_endo anti
+B669 : G C3p_endo anti
+B670 : A C3p_endo syn
+B671 : C C3p_endo anti
+B672 : C C3p_endo anti
+B673 : C C3p_endo anti
+B674 : G C3p_endo syn
+B675 : A C3p_endo anti
+B676 : A C3p_endo syn
+B677 : A C3p_endo anti
+B678 : C C3p_endo anti
+B679 : C C3p_endo anti
+B680 : C C3p_endo anti
+B681 : G C3p_endo anti
+B682 : G C3p_endo anti
+B683 : U C3p_endo anti
+B684 : G C3p_endo syn
+B685 : A C3p_endo anti
+B686 : U C3p_endo anti
+B687 : C C3p_endo anti
+B688 : U C3p_endo anti
+B689 : A C3p_endo anti
+B690 : G C3p_endo anti
+B691 : C C3p_endo anti
+B692 : C C3p_endo anti
+B693 : A C3p_endo anti
+B694 : U C3p_endo anti
+B695 : G C3p_endo anti
+B696 : G C3p_endo anti
+B697 : G C3p_endo anti
+B698 : C C3p_endo anti
+B699 : A C3p_endo anti
+B700 : G C3p_endo anti
+B701 : G C3p_endo anti
+B702 : U C3p_endo anti
+B703 : U C3p_endo anti
+B704 : G C3p_endo syn
+B705 : A C3p_endo syn
+B706 : A C3p_endo anti
+B707 : G C3p_endo anti
+B708 : G C3p_endo anti
+B709 : U C3p_endo anti
+B710 : U C3p_endo anti
+B711 : G C3p_endo anti
+B712 : G C3p_endo anti
+B713 : G C3p_endo anti
+B714 : U C3p_endo anti
+B715 : A C3p_endo anti
+B716 : A C3p_endo anti
+B717 : C C3p_endo anti
+B718 : A C3p_endo anti
+B719 : C C3p_endo anti
+B720 : U C3p_endo anti
+B721 : A C3p_endo anti
+B722 : A C3p_endo anti
+B723 : C C3p_endo anti
+B724 : U C3p_endo anti
+B725 : G C3p_endo syn
+B726 : G C3p_endo anti
+B727 : A C3p_endo syn
+B728 : G C3p_endo syn
+B729 : G C3p_endo anti
+B730 : A C3p_endo anti
+B731 : C C3p_endo anti
+B732 : C C3p_endo anti
+B733 : G C3p_endo anti
+B734 : A C3p_endo anti
+B735 : A C3p_endo anti
+B736 : C C3p_endo anti
+B737 : C C3p_endo anti
+B738 : G C3p_endo anti
+B739 : A C3p_endo anti
+B740 : C C3p_endo anti
+B741 : U C3p_endo anti
+B742 : A C3p_endo anti
+B743 : A C3p_endo anti
+B744 : U C3p_endo anti
+B745 : 7MG
+B746 : PSU
+B747 : 5MU
+B748 : G C3p_endo syn
+B749 : A C3p_endo anti
+B750 : A C3p_endo anti
+B751 : A C3p_endo anti
+B752 : A C3p_endo anti
+B753 : A C3p_endo anti
+B754 : U C3p_endo anti
+B755 : U C3p_endo anti
+B756 : A C3p_endo anti
+B757 : G C3p_endo anti
+B758 : C C3p_endo anti
+B759 : G C3p_endo anti
+B760 : G C3p_endo anti
+B761 : A C3p_endo anti
+B762 : U C3p_endo syn
+B763 : G C3p_endo anti
+B764 : A C3p_endo anti
+B765 : C C3p_endo anti
+B766 : U C3p_endo anti
+B767 : U C3p_endo anti
+B768 : G C3p_endo anti
+B769 : U C3p_endo anti
+B770 : G C3p_endo anti
+B771 : G C3p_endo anti
+B772 : C C3p_endo anti
+B773 : U C3p_endo anti
+B774 : G C3p_endo anti
+B775 : G C3p_endo anti
+B776 : G C3p_endo anti
+B777 : G C3p_endo anti
+B778 : G C3p_endo anti
+B779 : U C3p_endo anti
+B780 : G C3p_endo anti
+B781 : A C3p_endo anti
+B782 : A C3p_endo anti
+B783 : A C3p_endo anti
+B784 : G C3p_endo anti
+B785 : G C3p_endo syn
+B786 : C C3p_endo anti
+B787 : C C3p_endo anti
+B788 : A C3p_endo anti
+B789 : A C3p_endo syn
+B790 : U C3p_endo anti
+B791 : C C3p_endo anti
+B792 : A C3p_endo anti
+B793 : A C3p_endo anti
+B794 : A C3p_endo anti
+B795 : C C3p_endo anti
+B796 : C C3p_endo anti
+B797 : G C3p_endo anti
+B798 : G C3p_endo anti
+B799 : G C3p_endo anti
+B800 : A C3p_endo syn
+B801 : G C3p_endo anti
+B802 : A C3p_endo syn
+B803 : U C3p_endo syn
+B804 : A C3p_endo syn
+B805 : G C3p_endo anti
+B806 : C C3p_endo anti
+B807 : U C3p_endo syn
+B808 : G C3p_endo anti
+B809 : G C3p_endo anti
+B810 : U C3p_endo anti
+B811 : U C3p_endo syn
+B812 : C C3p_endo anti
+B813 : U C3p_endo anti
+B814 : C C3p_endo anti
+B815 : C C3p_endo anti
+B816 : C C3p_endo anti
+B817 : C C3p_endo anti
+B818 : G C3p_endo anti
+B819 : A C3p_endo syn
+B820 : A C3p_endo syn
+B821 : A C3p_endo syn
+B822 : G C3p_endo anti
+B823 : C C3p_endo anti
+B824 : U C3p_endo anti
+B825 : A C3p_endo anti
+B826 : U C3p_endo anti
+B827 : U C3p_endo anti
+B828 : U C3p_endo anti
+B829 : A C3p_endo anti
+B830 : G C3p_endo anti
+B831 : G C3p_endo anti
+B832 : U C3p_endo anti
+B833 : A C3p_endo anti
+B834 : G C3p_endo anti
+B835 : C C3p_endo anti
+B836 : G C3p_endo anti
+B837 : C C3p_endo anti
+B838 : C C3p_endo anti
+B839 : U C3p_endo anti
+B840 : C C3p_endo anti
+B841 : G C3p_endo anti
+B842 : U C3p_endo anti
+B843 : G C3p_endo anti
+B844 : A C3p_endo anti
+B845 : A C3p_endo anti
+B846 : U C3p_endo anti
+B847 : U C3p_endo anti
+B848 : C C3p_endo anti
+B849 : A C3p_endo anti
+B850 : U C3p_endo anti
+B851 : C C3p_endo anti
+B852 : U C3p_endo anti
+B853 : C C3p_endo anti
+B854 : C C3p_endo anti
+B855 : G C3p_endo anti
+B856 : G C3p_endo anti
+B857 : G C3p_endo anti
+B858 : G C3p_endo anti
+B859 : G C3p_endo syn
+B860 : U C3p_endo anti
+B861 : A C3p_endo syn
+B862 : G C3p_endo anti
+B863 : A C3p_endo syn
+B864 : G C3p_endo anti
+B865 : C C3p_endo anti
+B866 : A C3p_endo anti
+B867 : C C3p_endo anti
+B868 : U C3p_endo anti
+B869 : G C3p_endo anti
+B870 : U C3p_endo anti
+B871 : U C3p_endo anti
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+B875 : G C3p_endo anti
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+B878 : A C3p_endo syn
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+B881 : G C3p_endo anti
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+B887 : U C3p_endo anti
+B888 : C C3p_endo anti
+B889 : C C3p_endo anti
+B890 : C C3p_endo anti
+B891 : G C3p_endo anti
+B892 : A C3p_endo anti
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+B895 : U C3p_endo anti
+B896 : A C3p_endo anti
+B897 : C C3p_endo anti
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+B899 : A C3p_endo anti
+B900 : A C3p_endo syn
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+B902 : C C3p_endo anti
+B903 : C C3p_endo anti
+B904 : G C3p_endo anti
+B905 : A C3p_endo anti
+B906 : U C3p_endo anti
+B907 : G C3p_endo anti
+B908 : C C3p_endo anti
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+B910 : A C3p_endo anti
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+B914 : G C3p_endo anti
+B915 : C C3p_endo anti
+B916 : G C3p_endo anti
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+B918 : A C3p_endo anti
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+B920 : A C3p_endo anti
+B921 : C C3p_endo anti
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+B923 : G C3p_endo anti
+B924 : G C3p_endo anti
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+B927 : A C3p_endo syn
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+B961 : C C3p_endo anti
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+B972 : A C3p_endo syn
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+B988 : A C3p_endo syn
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+B1010 : A C3p_endo syn
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+B1024 : G C3p_endo syn
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+B1136 : G C3p_endo anti
+B1137 : G C3p_endo anti
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+B1142 : A C3p_endo syn
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+B1149 : G C3p_endo anti
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+B1176 : U C3p_endo anti
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+B1190 : G C3p_endo anti
+B1191 : G C3p_endo anti
+B1192 : G C3p_endo anti
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+B1199 : U C3p_endo anti
+B1200 : C C3p_endo anti
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+B1248 : G C3p_endo anti
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+B1251 : C C3p_endo syn
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+B1308 : A C3p_endo syn
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+B1310 : G C3p_endo syn
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+B1318 : U C3p_endo anti
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+B1321 : A C3p_endo syn
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+B1327 : A C3p_endo syn
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+B1416 : G C3p_endo anti
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+B1425 : G C3p_endo syn
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+B1453 : A C3p_endo anti
+B1454 : C C3p_endo anti
+B1455 : G C3p_endo anti
+B1456 : G C3p_endo anti
+B1457 : U C3p_endo anti
+B1458 : U C3p_endo anti
+B1459 : G C3p_endo anti
+B1460 : U C3p_endo anti
+B1461 : C C3p_endo anti
+B1462 : C C3p_endo anti
+B1463 : C C3p_endo anti
+B1464 : G C3p_endo anti
+B1465 : G C3p_endo anti
+B1466 : U C3p_endo anti
+B1467 : U C3p_endo anti
+B1468 : U C3p_endo anti
+B1469 : A C3p_endo syn
+B1470 : A C3p_endo syn
+B1471 : G C3p_endo anti
+B1472 : C C3p_endo anti
+B1473 : G C3p_endo anti
+B1474 : U C3p_endo anti
+B1475 : G C3p_endo anti
+B1476 : U C3p_endo anti
+B1477 : A C3p_endo syn
+B1478 : G C3p_endo anti
+B1479 : G C3p_endo anti
+B1480 : C C3p_endo anti
+B1481 : U C3p_endo anti
+B1482 : G C3p_endo anti
+B1483 : G C3p_endo anti
+B1484 : U C3p_endo anti
+B1485 : U C3p_endo anti
+B1486 : U C3p_endo anti
+B1487 : U C3p_endo anti
+B1488 : C C3p_endo anti
+B1489 : C C3p_endo anti
+B1490 : A C3p_endo anti
+B1491 : G C3p_endo anti
+B1492 : G C3p_endo anti
+B1493 : C C3p_endo anti
+B1494 : A C3p_endo anti
+B1495 : A C3p_endo anti
+B1496 : A C3p_endo anti
+B1497 : U C3p_endo anti
+B1498 : C C3p_endo anti
+B1499 : C C3p_endo anti
+B1500 : G C3p_endo anti
+B1501 : G C3p_endo anti
+B1502 : A C3p_endo anti
+B1503 : A C3p_endo anti
+B1504 : A C3p_endo anti
+B1505 : A C3p_endo anti
+B1506 : U C3p_endo anti
+B1507 : C C3p_endo anti
+B1508 : A C3p_endo anti
+B1509 : A C3p_endo anti
+B1510 : G C3p_endo anti
+B1511 : G C3p_endo anti
+B1512 : C C3p_endo anti
+B1513 : U C3p_endo anti
+B1514 : G C3p_endo anti
+B1515 : A C3p_endo anti
+B1516 : G C3p_endo anti
+B1517 : G C3p_endo anti
+B1518 : C C3p_endo anti
+B1519 : G C3p_endo anti
+B1520 : U C3p_endo anti
+B1521 : G C3p_endo anti
+B1522 : A C3p_endo syn
+B1523 : U C3p_endo anti
+B1524 : G C3p_endo anti
+B1525 : A C3p_endo anti
+B1526 : C C3p_endo anti
+B1527 : G C3p_endo anti
+B1528 : A C3p_endo anti
+B1529 : G C3p_endo anti
+B1530 : G C3p_endo anti
+B1531 : C C3p_endo anti
+B1532 : A C3p_endo anti
+B1533 : C C3p_endo anti
+B1534 : U C3p_endo anti
+B1535 : A C3p_endo anti
+B1536 : C C3p_endo anti
+B1537 : G C3p_endo anti
+B1538 : G C3p_endo anti
+B1539 : U C3p_endo anti
+B1540 : G C3p_endo anti
+B1541 : C C3p_endo anti
+B1542 : U C3p_endo anti
+B1543 : G C3p_endo anti
+B1544 : A C3p_endo anti
+B1545 : A C3p_endo syn
+B1546 : G C3p_endo syn
+B1547 : C C3p_endo anti
+B1548 : A C3p_endo anti
+B1549 : A C3p_endo anti
+B1550 : C C3p_endo anti
+B1551 : A C3p_endo anti
+B1552 : A C3p_endo anti
+B1553 : A C3p_endo anti
+B1554 : U C3p_endo anti
+B1555 : G C3p_endo anti
+B1556 : C C3p_endo anti
+B1557 : C C3p_endo anti
+B1558 : C C3p_endo anti
+B1559 : U C3p_endo anti
+B1560 : G C3p_endo syn
+B1561 : C C3p_endo anti
+B1562 : U C3p_endo anti
+B1563 : U C3p_endo anti
+B1564 : C C3p_endo anti
+B1565 : C C3p_endo syn
+B1566 : A C3p_endo anti
+B1567 : G C3p_endo anti
+B1568 : G C3p_endo anti
+B1569 : A C3p_endo syn
+B1570 : A C3p_endo anti
+B1571 : A C3p_endo anti
+B1572 : A C3p_endo anti
+B1573 : G C3p_endo anti
+B1574 : C C3p_endo anti
+B1575 : C C3p_endo anti
+B1576 : U C3p_endo anti
+B1577 : C C3p_endo anti
+B1578 : U C3p_endo anti
+B1579 : A C3p_endo anti
+B1580 : A C3p_endo anti
+B1581 : G C3p_endo syn
+B1582 : C C3p_endo anti
+B1583 : A C3p_endo anti
+B1584 : U C3p_endo anti
+B1585 : C C3p_endo anti
+B1586 : A C3p_endo syn
+B1587 : G C3p_endo anti
+B1588 : G C3p_endo anti
+B1589 : U C3p_endo anti
+B1590 : A C3p_endo anti
+B1591 : A C3p_endo anti
+B1592 : C C3p_endo anti
+B1593 : A C3p_endo anti
+B1594 : U C3p_endo anti
+B1595 : C C3p_endo anti
+B1596 : A C3p_endo anti
+B1597 : A C3p_endo anti
+B1598 : A C3p_endo anti
+B1599 : U C3p_endo anti
+B1600 : C C3p_endo anti
+B1601 : G C3p_endo anti
+B1602 : U C3p_endo anti
+B1603 : A C3p_endo anti
+B1604 : C C3p_endo anti
+B1605 : C C3p_endo syn
+B1606 : C C3p_endo anti
+B1607 : C C3p_endo anti
+B1608 : A C3p_endo anti
+B1609 : A C3p_endo anti
+B1610 : A C3p_endo syn
+B1611 : C C3p_endo anti
+B1612 : C C3p_endo anti
+B1613 : G C3p_endo anti
+B1614 : A C3p_endo anti
+B1615 : C C3p_endo anti
+B1616 : A C3p_endo anti
+B1617 : C C3p_endo anti
+B1618 : 1MA
+B1619 : G C3p_endo anti
+B1620 : G C3p_endo anti
+B1621 : U C3p_endo anti
+B1622 : G C3p_endo anti
+B1623 : G C3p_endo anti
+B1624 : U C3p_endo anti
+B1625 : C C3p_endo anti
+B1626 : A C3p_endo anti
+B1627 : G C3p_endo anti
+B1628 : G C3p_endo anti
+B1629 : U C3p_endo anti
+B1630 : A C3p_endo anti
+B1631 : G C3p_endo anti
+B1632 : A C3p_endo anti
+B1633 : G C3p_endo anti
+B1634 : A C3p_endo anti
+B1635 : A C3p_endo anti
+B1636 : U C3p_endo anti
+B1637 : A C3p_endo anti
+B1638 : C C3p_endo anti
+B1639 : C C3p_endo anti
+B1640 : A C3p_endo anti
+B1641 : A C3p_endo syn
+B1642 : G C3p_endo anti
+B1643 : G C3p_endo anti
+B1644 : C C3p_endo anti
+B1645 : G C3p_endo anti
+B1646 : C C3p_endo anti
+B1647 : U C3p_endo anti
+B1648 : U C3p_endo anti
+B1649 : G C3p_endo anti
+B1650 : A C3p_endo anti
+B1651 : G C3p_endo anti
+B1652 : A C3p_endo anti
+B1653 : G C3p_endo anti
+B1654 : A C3p_endo syn
+B1655 : A C3p_endo syn
+B1656 : C C3p_endo anti
+B1657 : U C3p_endo anti
+B1658 : C C3p_endo anti
+B1659 : G C3p_endo anti
+B1660 : G C3p_endo anti
+B1661 : G C3p_endo anti
+B1662 : U C3p_endo anti
+B1663 : G C3p_endo anti
+B1664 : A C3p_endo anti
+B1665 : A C3p_endo anti
+B1666 : G C3p_endo anti
+B1667 : G C3p_endo anti
+B1668 : A C3p_endo anti
+B1669 : A C3p_endo anti
+B1670 : C C3p_endo anti
+B1671 : U C3p_endo anti
+B1672 : A C3p_endo anti
+B1673 : G C3p_endo anti
+B1674 : G C3p_endo syn
+B1675 : C C3p_endo anti
+B1676 : A C3p_endo anti
+B1677 : A C3p_endo anti
+B1678 : A C3p_endo anti
+B1679 : A C3p_endo syn
+B1680 : U C3p_endo anti
+B1681 : G C3p_endo anti
+B1682 : G C3p_endo anti
+B1683 : U C3p_endo anti
+B1684 : G C3p_endo anti
+B1685 : C C3p_endo anti
+B1686 : C C3p_endo anti
+B1687 : G C3p_endo anti
+B1688 : U C3p_endo anti
+B1689 : A C3p_endo anti
+B1690 : A C3p_endo syn
+B1691 : C C3p_endo anti
+B1692 : U C3p_endo anti
+B1693 : U C3p_endo anti
+B1694 : C C3p_endo anti
+B1695 : G C3p_endo syn
+B1696 : G C3p_endo anti
+B1697 : G C3p_endo anti
+B1698 : A C3p_endo anti
+B1699 : G C3p_endo anti
+B1700 : A C3p_endo anti
+B1701 : A C3p_endo anti
+B1702 : G C3p_endo anti
+B1703 : G C3p_endo anti
+B1704 : C C3p_endo anti
+B1705 : A C3p_endo anti
+B1706 : C C3p_endo anti
+B1707 : G C3p_endo anti
+B1708 : C C3p_endo anti
+B1709 : U C3p_endo anti
+B1710 : G C3p_endo anti
+B1711 : A C3p_endo anti
+B1712 : U C3p_endo anti
+B1713 : A C3p_endo anti
+B1714 : U C3p_endo anti
+B1715 : G C3p_endo anti
+B1716 : U C3p_endo anti
+B1717 : A C3p_endo anti
+B1718 : G C3p_endo anti
+B1719 : G C3p_endo syn
+B1720 : U C3p_endo syn
+B1721 : G C3p_endo anti
+B1722 : A C3p_endo anti
+B1723 : G C3p_endo syn
+B1724 : G C3p_endo anti
+B1725 : U C3p_endo anti
+B1726 : C C3p_endo anti
+B1727 : C C3p_endo anti
+B1728 : C C3p_endo anti
+B1729 : U C3p_endo anti
+B1730 : C C3p_endo anti
+B1731 : G C3p_endo anti
+B1732 : C C3p_endo anti
+B1733 : G C3p_endo anti
+B1734 : G C3p_endo anti
+B1735 : A C3p_endo anti
+B1736 : U C3p_endo anti
+B1737 : G C3p_endo anti
+B1738 : G C3p_endo anti
+B1739 : A C3p_endo anti
+B1740 : G C3p_endo syn
+B1741 : C C3p_endo anti
+B1742 : U C3p_endo anti
+B1743 : G C3p_endo anti
+B1744 : A C3p_endo anti
+B1745 : A C3p_endo anti
+B1746 : A C3p_endo anti
+B1747 : U C3p_endo anti
+B1748 : C C3p_endo anti
+B1749 : A C3p_endo anti
+B1750 : G C3p_endo anti
+B1751 : U C3p_endo anti
+B1752 : C C3p_endo anti
+B1753 : G C3p_endo anti
+B1754 : A C3p_endo anti
+B1755 : A C3p_endo anti
+B1756 : G C3p_endo anti
+B1757 : A C3p_endo anti
+B1758 : U C3p_endo anti
+B1759 : A C3p_endo anti
+B1760 : C C3p_endo anti
+B1761 : C C3p_endo anti
+B1762 : A C3p_endo anti
+B1763 : G C3p_endo syn
+B1764 : C C3p_endo anti
+B1765 : U C3p_endo anti
+B1766 : G C3p_endo anti
+B1767 : G C3p_endo anti
+B1768 : C C3p_endo anti
+B1769 : U C3p_endo anti
+B1770 : G C3p_endo anti
+B1771 : C C3p_endo anti
+B1772 : A C3p_endo anti
+B1773 : A C3p_endo anti
+B1774 : C C3p_endo anti
+B1775 : U C3p_endo anti
+B1776 : G C3p_endo anti
+B1777 : U C3p_endo anti
+B1778 : U C3p_endo anti
+B1779 : U C3p_endo anti
+B1780 : A C3p_endo anti
+B1781 : U C3p_endo anti
+B1782 : U C3p_endo anti
+B1783 : A C3p_endo anti
+B1784 : A C3p_endo anti
+B1785 : A C3p_endo anti
+B1786 : A C3p_endo anti
+B1787 : A C3p_endo anti
+B1788 : C C3p_endo anti
+B1789 : A C3p_endo anti
+B1790 : C C3p_endo anti
+B1791 : A C3p_endo anti
+B1792 : G C3p_endo anti
+B1793 : C C3p_endo anti
+B1794 : A C3p_endo anti
+B1795 : C C3p_endo anti
+B1796 : U C3p_endo anti
+B1797 : G C3p_endo anti
+B1798 : U C3p_endo anti
+B1799 : G C3p_endo anti
+B1800 : C C3p_endo anti
+B1801 : A C3p_endo anti
+B1802 : A C3p_endo syn
+B1803 : A C3p_endo syn
+B1804 : C C3p_endo anti
+B1805 : A C3p_endo anti
+B1806 : C C3p_endo anti
+B1807 : G C3p_endo syn
+B1808 : A C3p_endo anti
+B1809 : A C3p_endo anti
+B1810 : A C3p_endo anti
+B1811 : G C3p_endo anti
+B1812 : U C3p_endo anti
+B1813 : G C3p_endo anti
+B1814 : G C3p_endo anti
+B1815 : A C3p_endo syn
+B1816 : C C3p_endo anti
+B1817 : G C3p_endo syn
+B1818 : U C3p_endo anti
+B1819 : A C3p_endo syn
+B1820 : U C3p_endo anti
+B1821 : A C3p_endo anti
+B1822 : C C3p_endo anti
+B1823 : G C3p_endo anti
+B1824 : G C3p_endo anti
+B1825 : U C3p_endo anti
+B1826 : G C3p_endo anti
+B1827 : U C3p_endo anti
+B1828 : G C3p_endo anti
+B1829 : A C3p_endo anti
+B1830 : C C3p_endo anti
+B1831 : G C3p_endo anti
+B1832 : C C3p_endo anti
+B1833 : C C3p_endo anti
+B1834 : U C3p_endo anti
+B1835 : G C3p_endo anti
+B1836 : C C3p_endo anti
+B1837 : C C3p_endo anti
+B1838 : C C3p_endo syn
+B1839 : G C3p_endo syn
+B1840 : G C3p_endo anti
+B1841 : U C3p_endo anti
+B1842 : G C3p_endo anti
+B1843 : C C3p_endo anti
+B1844 : C C3p_endo anti
+B1845 : G C3p_endo anti
+B1846 : G C3p_endo anti
+B1847 : A C3p_endo anti
+B1848 : A C3p_endo anti
+B1849 : G C3p_endo anti
+B1850 : G C3p_endo anti
+B1851 : U C3p_endo anti
+B1852 : U C3p_endo anti
+B1853 : A C3p_endo anti
+B1854 : A C3p_endo anti
+B1855 : U C3p_endo anti
+B1856 : U C3p_endo anti
+B1857 : G C3p_endo anti
+B1858 : A C3p_endo anti
+B1859 : U C3p_endo anti
+B1860 : G C3p_endo anti
+B1861 : G C3p_endo anti
+B1862 : G C3p_endo anti
+B1863 : G C3p_endo anti
+B1864 : U C3p_endo anti
+B1865 : U C3p_endo anti
+B1866 : A C3p_endo syn
+B1867 : G C3p_endo anti
+B1868 : C C3p_endo anti
+B1869 : G C3p_endo anti
+B1870 : C C3p_endo anti
+B1871 : A C3p_endo anti
+B1872 : A C3p_endo anti
+B1873 : G C3p_endo anti
+B1874 : C C3p_endo anti
+B1875 : G C3p_endo anti
+B1876 : A C3p_endo syn
+B1877 : A C3p_endo anti
+B1878 : G C3p_endo anti
+B1879 : C C3p_endo anti
+B1880 : U C3p_endo anti
+B1881 : C C3p_endo anti
+B1882 : U C3p_endo anti
+B1883 : U C3p_endo anti
+B1884 : G C3p_endo anti
+B1885 : A C3p_endo anti
+B1886 : U C3p_endo anti
+B1887 : C C3p_endo anti
+B1888 : G C3p_endo anti
+B1889 : A C3p_endo anti
+B1890 : A C3p_endo anti
+B1891 : G C3p_endo syn
+B1892 : C C3p_endo anti
+B1893 : C C3p_endo anti
+B1894 : C C3p_endo anti
+B1895 : C C3p_endo anti
+B1896 : G C3p_endo anti
+B1897 : G C3p_endo anti
+B1898 : U C3p_endo anti
+B1899 : A C3p_endo anti
+B1900 : A C3p_endo syn
+B1901 : A C3p_endo anti
+B1902 : C C3p_endo anti
+B1903 : G C3p_endo anti
+B1904 : G C3p_endo anti
+B1905 : C C3p_endo anti
+B1906 : G C3p_endo anti
+B1907 : G C3p_endo anti
+B1908 : C C3p_endo anti
+B1909 : C C3p_endo anti
+B1910 : G C3p_endo anti
+B1911 : PSU
+B1912 : A C3p_endo anti
+B1913 : A C3p_endo anti
+B1914 : C C3p_endo anti
+B1915 : 5MU
+B1916 : A C3p_endo anti
+B1917 : PSU
+B1918 : A C3p_endo anti
+B1919 : A C3p_endo anti
+B1920 : C C3p_endo anti
+B1921 : G C3p_endo anti
+B1922 : G C3p_endo anti
+B1923 : U C3p_endo anti
+B1924 : C C3p_endo anti
+B1925 : C C3p_endo syn
+B1926 : U C3p_endo anti
+B1927 : A C3p_endo syn
+B1928 : A C3p_endo syn
+B1929 : G C3p_endo anti
+B1930 : G C3p_endo syn
+B1931 : U C3p_endo anti
+B1932 : A C3p_endo anti
+B1933 : G C3p_endo anti
+B1934 : C C3p_endo anti
+B1935 : G C3p_endo anti
+B1936 : A C3p_endo anti
+B1937 : A C3p_endo anti
+B1938 : A C3p_endo anti
+B1939 : 5MU
+B1940 : U C3p_endo anti
+B1941 : C C3p_endo anti
+B1942 : C C3p_endo anti
+B1943 : U C3p_endo syn
+B1944 : U C3p_endo anti
+B1945 : G C3p_endo anti
+B1946 : U C3p_endo anti
+B1947 : C C3p_endo anti
+B1948 : G C3p_endo anti
+B1949 : G C3p_endo anti
+B1950 : G C3p_endo anti
+B1951 : U C3p_endo syn
+B1952 : A C3p_endo syn
+B1953 : A C3p_endo anti
+B1954 : G C3p_endo anti
+B1955 : U C3p_endo anti
+B1956 : U C3p_endo anti
+B1957 : C C3p_endo anti
+B1958 : C C3p_endo anti
+B1959 : G C3p_endo anti
+B1960 : A C3p_endo anti
+B1961 : C C3p_endo anti
+B1962 : C C3p_endo anti
+B1963 : U C3p_endo anti
+B1964 : G C3p_endo anti
+B1965 : C C3p_endo anti
+B1966 : A C3p_endo anti
+B1967 : C C3p_endo anti
+B1968 : G C3p_endo anti
+B1969 : A C3p_endo anti
+B1970 : A C3p_endo anti
+B1971 : U C3p_endo anti
+B1972 : G C3p_endo anti
+B1973 : G C3p_endo anti
+B1974 : C C3p_endo anti
+B1975 : G C3p_endo anti
+B1976 : U C3p_endo anti
+B1977 : A C3p_endo syn
+B1978 : A C3p_endo anti
+B1979 : U C3p_endo anti
+B1980 : G C3p_endo anti
+B1981 : A C3p_endo anti
+B1982 : U C3p_endo anti
+B1983 : G C3p_endo anti
+B1984 : G C3p_endo anti
+B1985 : C C3p_endo anti
+B1986 : C C3p_endo anti
+B1987 : A C3p_endo anti
+B1988 : G C3p_endo anti
+B1989 : G C3p_endo anti
+B1990 : C C3p_endo anti
+B1991 : U C3p_endo anti
+B1992 : G C3p_endo anti
+B1993 : U C3p_endo anti
+B1994 : C C3p_endo anti
+B1995 : U C3p_endo anti
+B1996 : C C3p_endo anti
+B1997 : C C3p_endo anti
+B1998 : A C3p_endo anti
+B1999 : C C3p_endo anti
+B2000 : C C3p_endo anti
+B2001 : C C3p_endo anti
+B2002 : G C3p_endo anti
+B2003 : A C3p_endo anti
+B2004 : G C3p_endo anti
+B2005 : A C3p_endo anti
+B2006 : C C3p_endo anti
+B2007 : U C3p_endo anti
+B2008 : C C3p_endo anti
+B2009 : A C3p_endo anti
+B2010 : G C3p_endo anti
+B2011 : U C3p_endo anti
+B2012 : G C3p_endo anti
+B2013 : A C3p_endo anti
+B2014 : A C3p_endo anti
+B2015 : A C3p_endo anti
+B2016 : U C3p_endo anti
+B2017 : U C3p_endo anti
+B2018 : G C3p_endo anti
+B2019 : A C3p_endo anti
+B2020 : A C3p_endo syn
+B2021 : C C3p_endo syn
+B2022 : U C3p_endo anti
+B2023 : C C3p_endo anti
+B2024 : G C3p_endo anti
+B2025 : C C3p_endo anti
+B2026 : U C3p_endo anti
+B2027 : G C3p_endo anti
+B2028 : U C3p_endo anti
+B2029 : G C3p_endo syn
+B2030 : 1MA
+B2031 : A C3p_endo anti
+B2032 : G C3p_endo anti
+B2033 : A C3p_endo anti
+B2034 : U C3p_endo anti
+B2035 : G C3p_endo anti
+B2036 : C C3p_endo anti
+B2037 : A C3p_endo anti
+B2038 : G C3p_endo anti
+B2039 : U C3p_endo anti
+B2040 : G C3p_endo anti
+B2041 : U C3p_endo anti
+B2042 : A C3p_endo anti
+B2043 : C C3p_endo anti
+B2044 : C C3p_endo anti
+B2045 : C C3p_endo anti
+B2046 : G C3p_endo anti
+B2047 : C C3p_endo anti
+B2048 : G C3p_endo anti
+B2049 : G C3p_endo anti
+B2050 : C C3p_endo anti
+B2051 : A C3p_endo anti
+B2052 : A C3p_endo anti
+B2053 : G C3p_endo anti
+B2054 : A C3p_endo anti
+B2055 : C C3p_endo anti
+B2056 : G C3p_endo anti
+B2057 : G C3p_endo anti
+B2058 : A C3p_endo syn
+B2059 : A C3p_endo syn
+B2060 : A C3p_endo anti
+B2061 : G C3p_endo anti
+B2062 : A C3p_endo anti
+B2063 : C C3p_endo anti
+B2064 : C C3p_endo anti
+B2065 : C C3p_endo anti
+B2066 : C C3p_endo anti
+B2067 : G C3p_endo anti
+B2068 : U C3p_endo anti
+B2069 : 7MG
+B2070 : A C3p_endo anti
+B2071 : A C3p_endo anti
+B2072 : C C3p_endo anti
+B2073 : C C3p_endo anti
+B2074 : U C3p_endo anti
+B2075 : U C3p_endo anti
+B2076 : U C3p_endo syn
+B2077 : A C3p_endo anti
+B2078 : C C3p_endo anti
+B2079 : U C3p_endo anti
+B2080 : A C3p_endo anti
+B2081 : U C3p_endo anti
+B2082 : A C3p_endo syn
+B2083 : G C3p_endo anti
+B2084 : C C3p_endo anti
+B2085 : U C3p_endo anti
+B2086 : U C3p_endo anti
+B2087 : G C3p_endo anti
+B2088 : A C3p_endo anti
+B2089 : C C3p_endo anti
+B2090 : A C3p_endo anti
+B2091 : C C3p_endo anti
+B2092 : U C3p_endo anti
+B2093 : G C3p_endo anti
+B2094 : A C3p_endo anti
+B2095 : A C3p_endo anti
+B2096 : C C3p_endo anti
+B2097 : A C3p_endo anti
+B2098 : U C3p_endo anti
+B2099 : U C3p_endo anti
+B2100 : G C3p_endo anti
+B2101 : A C3p_endo anti
+B2102 : G C3p_endo anti
+B2103 : C C3p_endo anti
+B2104 : C C3p_endo anti
+B2105 : U C3p_endo anti
+B2106 : U C3p_endo anti
+B2107 : G C3p_endo anti
+B2108 : A C3p_endo anti
+B2109 : U C3p_endo anti
+B2110 : G C3p_endo syn
+B2111 : U C3p_endo anti
+B2112 : G C3p_endo anti
+B2113 : U C3p_endo syn
+B2114 : A C3p_endo anti
+B2115 : G C3p_endo anti
+B2116 : G C3p_endo anti
+B2117 : A C3p_endo anti
+B2118 : U C3p_endo anti
+B2119 : A C3p_endo anti
+B2120 : G C3p_endo anti
+B2121 : G C3p_endo anti
+B2122 : U C3p_endo anti
+B2123 : G C3p_endo anti
+B2124 : G C3p_endo anti
+B2125 : G C3p_endo anti
+B2126 : A C3p_endo anti
+B2127 : G C3p_endo anti
+B2128 : G C3p_endo anti
+B2129 : C C3p_endo anti
+B2130 : U C3p_endo anti
+B2131 : U C3p_endo anti
+B2132 : U C3p_endo anti
+B2133 : G C3p_endo anti
+B2134 : A C3p_endo syn
+B2135 : A C3p_endo anti
+B2136 : G C3p_endo anti
+B2137 : U C3p_endo anti
+B2138 : G C3p_endo anti
+B2139 : U C3p_endo syn
+B2140 : G C3p_endo anti
+B2141 : G C3p_endo anti
+B2142 : A C3p_endo anti
+B2143 : C C3p_endo anti
+B2144 : G C3p_endo anti
+B2145 : C C3p_endo anti
+B2146 : C C3p_endo anti
+B2147 : A C3p_endo anti
+B2148 : G C3p_endo anti
+B2149 : U C3p_endo anti
+B2150 : C C3p_endo anti
+B2151 : U C3p_endo anti
+B2152 : G C3p_endo anti
+B2153 : C C3p_endo anti
+B2154 : A C3p_endo anti
+B2155 : U C3p_endo anti
+B2156 : G C3p_endo anti
+B2157 : G C3p_endo anti
+B2158 : A C3p_endo anti
+B2159 : G C3p_endo anti
+B2160 : C C3p_endo anti
+B2161 : C C3p_endo anti
+B2162 : G C3p_endo anti
+B2163 : A C3p_endo anti
+B2164 : C C3p_endo anti
+B2165 : C C3p_endo anti
+B2166 : U C3p_endo anti
+B2167 : U C3p_endo anti
+B2168 : G C3p_endo anti
+B2169 : A C3p_endo anti
+B2170 : A C3p_endo anti
+B2171 : A C3p_endo anti
+B2172 : U C3p_endo anti
+B2173 : A C3p_endo anti
+B2174 : C C3p_endo anti
+B2175 : C C3p_endo anti
+B2176 : A C3p_endo anti
+B2177 : C C3p_endo anti
+B2178 : C C3p_endo anti
+B2179 : C C3p_endo anti
+B2180 : U C3p_endo anti
+B2181 : U C3p_endo anti
+B2182 : U C3p_endo anti
+B2183 : A C3p_endo anti
+B2184 : A C3p_endo anti
+B2185 : U C3p_endo anti
+B2186 : G C3p_endo anti
+B2187 : U C3p_endo anti
+B2188 : U C3p_endo anti
+B2189 : U C3p_endo anti
+B2190 : G C3p_endo anti
+B2191 : A C3p_endo anti
+B2192 : U C3p_endo anti
+B2193 : G C3p_endo anti
+B2194 : U C3p_endo anti
+B2195 : U C3p_endo anti
+B2196 : C C3p_endo anti
+B2197 : U C3p_endo anti
+B2198 : A C3p_endo anti
+B2199 : A C3p_endo syn
+B2200 : C C3p_endo anti
+B2201 : G C3p_endo anti
+B2202 : U C3p_endo anti
+B2203 : U C3p_endo anti
+B2204 : G C3p_endo anti
+B2205 : A C3p_endo anti
+B2206 : C C3p_endo anti
+B2207 : C C3p_endo anti
+B2208 : C C3p_endo anti
+B2209 : G C3p_endo anti
+B2210 : U C3p_endo anti
+B2211 : A C3p_endo anti
+B2212 : A C3p_endo anti
+B2213 : U C3p_endo anti
+B2214 : C C3p_endo anti
+B2215 : C C3p_endo anti
+B2216 : G C3p_endo anti
+B2217 : G C3p_endo anti
+B2218 : G C3p_endo anti
+B2219 : U C3p_endo anti
+B2220 : U C3p_endo anti
+B2221 : G C3p_endo anti
+B2222 : C C3p_endo anti
+B2223 : G C3p_endo anti
+B2224 : G C3p_endo anti
+B2225 : A C3p_endo anti
+B2226 : C C3p_endo syn
+B2227 : A C3p_endo anti
+B2228 : G C3p_endo anti
+B2229 : U C3p_endo anti
+B2230 : G C3p_endo anti
+B2231 : U C3p_endo anti
+B2232 : C C3p_endo anti
+B2233 : U C3p_endo anti
+B2234 : G C3p_endo anti
+B2235 : G C3p_endo anti
+B2236 : U C3p_endo anti
+B2237 : G C3p_endo anti
+B2238 : G C3p_endo anti
+B2239 : G C3p_endo anti
+B2240 : U C3p_endo anti
+B2241 : A C3p_endo anti
+B2242 : G C3p_endo anti
+B2243 : U C3p_endo anti
+B2244 : U C3p_endo anti
+B2245 : U C3p_endo anti
+B2246 : G C3p_endo anti
+B2247 : A C3p_endo anti
+B2248 : C C3p_endo anti
+B2249 : U C3p_endo anti
+B2250 : G C3p_endo anti
+B2251 : 7MG
+B2252 : G C3p_endo syn
+B2253 : G C3p_endo anti
+B2254 : C C3p_endo anti
+B2255 : G C3p_endo anti
+B2256 : G C3p_endo anti
+B2257 : U C3p_endo anti
+B2258 : C C3p_endo anti
+B2259 : U C3p_endo anti
+B2260 : C C3p_endo anti
+B2261 : C C3p_endo anti
+B2262 : U C3p_endo anti
+B2263 : C C3p_endo anti
+B2264 : C C3p_endo anti
+B2265 : U C3p_endo anti
+B2266 : A C3p_endo anti
+B2267 : A C3p_endo anti
+B2268 : A C3p_endo anti
+B2269 : G C3p_endo anti
+B2270 : A C3p_endo anti
+B2271 : G C3p_endo anti
+B2272 : U C3p_endo anti
+B2273 : A C3p_endo anti
+B2274 : A C3p_endo anti
+B2275 : C C3p_endo anti
+B2276 : G C3p_endo anti
+B2277 : G C3p_endo anti
+B2278 : A C3p_endo anti
+B2279 : G C3p_endo anti
+B2280 : G C3p_endo anti
+B2281 : A C3p_endo anti
+B2282 : G C3p_endo anti
+B2283 : C C3p_endo anti
+B2284 : A C3p_endo anti
+B2285 : C C3p_endo anti
+B2286 : G C3p_endo anti
+B2287 : A C3p_endo anti
+B2288 : A C3p_endo anti
+B2289 : G C3p_endo anti
+B2290 : G C3p_endo anti
+B2291 : U C3p_endo anti
+B2292 : U C3p_endo anti
+B2293 : G C3p_endo anti
+B2294 : G C3p_endo anti
+B2295 : C C3p_endo anti
+B2296 : U C3p_endo anti
+B2297 : A C3p_endo anti
+B2298 : A C3p_endo anti
+B2299 : U C3p_endo anti
+B2300 : C C3p_endo anti
+B2301 : C C3p_endo anti
+B2302 : U C3p_endo anti
+B2303 : G C3p_endo anti
+B2304 : G C3p_endo anti
+B2305 : U C3p_endo anti
+B2306 : C C3p_endo anti
+B2307 : G C3p_endo anti
+B2308 : G C3p_endo anti
+B2309 : A C3p_endo anti
+B2310 : C C3p_endo anti
+B2311 : A C3p_endo anti
+B2312 : U C3p_endo anti
+B2313 : C C3p_endo anti
+B2314 : A C3p_endo anti
+B2315 : G C3p_endo anti
+B2316 : G C3p_endo anti
+B2317 : A C3p_endo anti
+B2318 : G C3p_endo anti
+B2319 : G C3p_endo syn
+B2320 : U C3p_endo anti
+B2321 : U C3p_endo anti
+B2322 : A C3p_endo anti
+B2323 : G C3p_endo anti
+B2324 : U C3p_endo anti
+B2325 : G C3p_endo anti
+B2326 : C C3p_endo anti
+B2327 : A C3p_endo anti
+B2328 : A C3p_endo anti
+B2329 : U C3p_endo anti
+B2330 : G C3p_endo anti
+B2331 : G C3p_endo anti
+B2332 : C C3p_endo anti
+B2333 : A C3p_endo anti
+B2334 : U C3p_endo anti
+B2335 : A C3p_endo anti
+B2336 : A C3p_endo anti
+B2337 : G C3p_endo anti
+B2338 : C C3p_endo anti
+B2339 : C C3p_endo anti
+B2340 : A C3p_endo anti
+B2341 : G C3p_endo anti
+B2342 : C C3p_endo anti
+B2343 : U C3p_endo anti
+B2344 : U C3p_endo anti
+B2345 : G C3p_endo anti
+B2346 : A C3p_endo anti
+B2347 : C C3p_endo anti
+B2348 : U C3p_endo anti
+B2349 : G C3p_endo anti
+B2350 : C C3p_endo anti
+B2351 : G C3p_endo syn
+B2352 : A C3p_endo anti
+B2353 : G C3p_endo anti
+B2354 : C C3p_endo anti
+B2355 : G C3p_endo anti
+B2356 : U C3p_endo anti
+B2357 : G C3p_endo anti
+B2358 : A C3p_endo anti
+B2359 : C C3p_endo anti
+B2360 : G C3p_endo anti
+B2361 : G C3p_endo anti
+B2362 : C C3p_endo anti
+B2363 : G C3p_endo anti
+B2364 : C C3p_endo anti
+B2365 : G C3p_endo anti
+B2366 : A C3p_endo anti
+B2367 : G C3p_endo anti
+B2368 : C C3p_endo anti
+B2369 : A C3p_endo anti
+B2370 : G C3p_endo anti
+B2371 : G C3p_endo syn
+B2372 : U C3p_endo anti
+B2373 : G C3p_endo anti
+B2374 : C C3p_endo anti
+B2375 : G C3p_endo anti
+B2376 : A C3p_endo anti
+B2377 : A C3p_endo anti
+B2378 : A C3p_endo anti
+B2379 : G C3p_endo anti
+B2380 : C C3p_endo anti
+B2381 : A C3p_endo anti
+B2382 : G C3p_endo anti
+B2383 : G C3p_endo anti
+B2384 : U C3p_endo anti
+B2385 : C C3p_endo anti
+B2386 : A C3p_endo anti
+B2387 : U C3p_endo anti
+B2388 : A C3p_endo anti
+B2389 : G C3p_endo anti
+B2390 : U C3p_endo anti
+B2391 : G C3p_endo syn
+B2392 : A C3p_endo anti
+B2393 : U C3p_endo anti
+B2394 : C C3p_endo anti
+B2395 : C C3p_endo anti
+B2396 : G C3p_endo anti
+B2397 : G C3p_endo anti
+B2398 : U C3p_endo anti
+B2399 : G C3p_endo anti
+B2400 : G C3p_endo anti
+B2401 : U C3p_endo anti
+B2402 : U C3p_endo anti
+B2403 : C C3p_endo anti
+B2404 : U C3p_endo anti
+B2405 : G C3p_endo syn
+B2406 : A C3p_endo anti
+B2407 : A C3p_endo anti
+B2408 : U C3p_endo anti
+B2409 : G C3p_endo anti
+B2410 : G C3p_endo anti
+B2411 : A C3p_endo anti
+B2412 : A C3p_endo anti
+B2413 : G C3p_endo anti
+B2414 : G C3p_endo anti
+B2415 : G C3p_endo anti
+B2416 : C C3p_endo anti
+B2417 : C C3p_endo anti
+B2418 : A C3p_endo anti
+B2419 : U C3p_endo anti
+B2420 : C C3p_endo anti
+B2421 : G C3p_endo anti
+B2422 : C C3p_endo anti
+B2423 : U C3p_endo anti
+B2424 : C C3p_endo anti
+B2425 : A C3p_endo syn
+B2426 : A C3p_endo syn
+B2427 : C C3p_endo anti
+B2428 : G C3p_endo anti
+B2429 : G C3p_endo syn
+B2430 : A C3p_endo anti
+B2431 : U C3p_endo anti
+B2432 : A C3p_endo anti
+B2433 : A C3p_endo anti
+B2434 : A C3p_endo anti
+B2435 : A C3p_endo anti
+B2436 : G C3p_endo anti
+B2437 : G C3p_endo anti
+B2438 : U C3p_endo anti
+B2439 : A C3p_endo anti
+B2440 : C C3p_endo anti
+B2441 : U C3p_endo anti
+B2442 : C C3p_endo anti
+B2443 : C C3p_endo anti
+B2444 : G C3p_endo anti
+B2445 : G C3p_endo anti
+B2446 : G C3p_endo anti
+B2447 : G C3p_endo anti
+B2448 : A C3p_endo anti
+B2449 : 5MU
+B2450 : A C3p_endo anti
+B2451 : A C3p_endo anti
+B2452 : C C3p_endo anti
+B2453 : A C3p_endo anti
+B2454 : G C3p_endo anti
+B2455 : G C3p_endo anti
+B2456 : C C3p_endo anti
+B2457 : U C3p_endo anti
+B2458 : G C3p_endo anti
+B2459 : A C3p_endo anti
+B2460 : U C3p_endo anti
+B2461 : A C3p_endo anti
+B2462 : C C3p_endo anti
+B2463 : C C3p_endo anti
+B2464 : G C3p_endo anti
+B2465 : C C3p_endo anti
+B2466 : C C3p_endo anti
+B2467 : C C3p_endo anti
+B2468 : A C3p_endo anti
+B2469 : A C3p_endo syn
+B2470 : G C3p_endo anti
+B2471 : A C3p_endo anti
+B2472 : G C3p_endo anti
+B2473 : U C3p_endo anti
+B2474 : U C3p_endo anti
+B2475 : C C3p_endo anti
+B2476 : A C3p_endo anti
+B2477 : U C3p_endo anti
+B2478 : A C3p_endo anti
+B2479 : U C3p_endo anti
+B2480 : C C3p_endo anti
+B2481 : G C3p_endo anti
+B2482 : A C3p_endo anti
+B2483 : C C3p_endo anti
+B2484 : G C3p_endo anti
+B2485 : G C3p_endo anti
+B2486 : C C3p_endo anti
+B2487 : G C3p_endo anti
+B2488 : G C3p_endo anti
+B2489 : U C3p_endo anti
+B2490 : G C3p_endo anti
+B2491 : U C3p_endo anti
+B2492 : U C3p_endo anti
+B2493 : U C3p_endo anti
+B2494 : G C3p_endo anti
+B2495 : G C3p_endo anti
+B2496 : C C3p_endo anti
+B2497 : A C3p_endo anti
+B2498 : 5MC
+B2499 : C C3p_endo anti
+B2500 : U C3p_endo anti
+B2501 : C C3p_endo anti
+B2502 : G C3p_endo anti
+B2503 : A C3p_endo anti
+B2504 : U C3p_endo anti
+B2505 : G C3p_endo syn
+B2506 : U C3p_endo anti
+B2507 : C C3p_endo anti
+B2508 : G C3p_endo anti
+B2509 : G C3p_endo anti
+B2510 : C C3p_endo anti
+B2511 : U C3p_endo anti
+B2512 : C C3p_endo anti
+B2513 : A C3p_endo anti
+B2514 : U C3p_endo anti
+B2515 : C C3p_endo anti
+B2516 : A C3p_endo anti
+B2517 : C C3p_endo anti
+B2518 : A C3p_endo anti
+B2519 : U C3p_endo anti
+B2520 : C C3p_endo anti
+B2521 : C C3p_endo anti
+B2522 : U C3p_endo anti
+B2523 : G C3p_endo anti
+B2524 : G C3p_endo anti
+B2525 : G C3p_endo anti
+B2526 : G C3p_endo anti
+B2527 : C C3p_endo anti
+B2528 : U C3p_endo anti
+B2529 : G C3p_endo anti
+B2530 : A C3p_endo anti
+B2531 : A C3p_endo anti
+B2532 : G C3p_endo anti
+B2533 : U C3p_endo anti
+B2534 : A C3p_endo anti
+B2535 : G C3p_endo anti
+B2536 : G C3p_endo anti
+B2537 : U C3p_endo anti
+B2538 : C C3p_endo anti
+B2539 : C C3p_endo anti
+B2540 : C C3p_endo anti
+B2541 : A C3p_endo anti
+B2542 : A C3p_endo anti
+B2543 : G C3p_endo anti
+B2544 : G C3p_endo anti
+B2545 : G C3p_endo anti
+B2546 : U C3p_endo anti
+B2547 : A C3p_endo anti
+B2548 : U C3p_endo anti
+B2549 : G C3p_endo anti
+B2550 : G C3p_endo anti
+B2551 : C C3p_endo anti
+B2552 : U C3p_endo anti
+B2553 : G C3p_endo anti
+B2554 : U C3p_endo anti
+B2555 : U C3p_endo anti
+B2556 : C C3p_endo syn
+B2557 : G C3p_endo anti
+B2558 : C C3p_endo anti
+B2559 : C C3p_endo anti
+B2560 : A C3p_endo anti
+B2561 : U C3p_endo anti
+B2562 : U C3p_endo anti
+B2563 : U C3p_endo anti
+B2564 : A C3p_endo syn
+B2565 : A C3p_endo syn
+B2566 : A C3p_endo anti
+B2567 : G C3p_endo anti
+B2568 : U C3p_endo anti
+B2569 : G C3p_endo anti
+B2570 : G C3p_endo anti
+B2571 : U C3p_endo anti
+B2572 : A C3p_endo anti
+B2573 : C C3p_endo anti
+B2574 : G C3p_endo syn
+B2575 : C C3p_endo syn
+B2576 : G C3p_endo anti
+B2577 : A C3p_endo anti
+B2578 : G C3p_endo anti
+B2579 : C C3p_endo anti
+B2580 : U C3p_endo anti
+B2581 : G C3p_endo anti
+B2582 : G C3p_endo anti
+B2583 : G C3p_endo anti
+B2584 : U C3p_endo anti
+B2585 : U C3p_endo anti
+B2586 : U C3p_endo anti
+B2587 : A C3p_endo anti
+B2588 : G C3p_endo anti
+B2589 : A C3p_endo anti
+B2590 : A C3p_endo anti
+B2591 : C C3p_endo anti
+B2592 : G C3p_endo anti
+B2593 : U C3p_endo anti
+B2594 : C C3p_endo anti
+B2595 : G C3p_endo anti
+B2596 : U C3p_endo anti
+B2597 : G C3p_endo anti
+B2598 : A C3p_endo syn
+B2599 : G C3p_endo anti
+B2600 : A C3p_endo anti
+B2601 : C C3p_endo anti
+B2602 : A C3p_endo anti
+B2603 : G C3p_endo anti
+B2604 : U C3p_endo anti
+B2605 : U C3p_endo anti
+B2606 : C C3p_endo anti
+B2607 : G C3p_endo anti
+B2608 : G C3p_endo anti
+B2609 : U C3p_endo syn
+B2610 : C C3p_endo anti
+B2611 : C C3p_endo anti
+B2612 : C C3p_endo anti
+B2613 : U C3p_endo anti
+B2614 : A C3p_endo anti
+B2615 : U C3p_endo anti
+B2616 : C C3p_endo anti
+B2617 : U C3p_endo anti
+B2618 : G C3p_endo anti
+B2619 : C C3p_endo anti
+B2620 : C C3p_endo anti
+B2621 : G C3p_endo anti
+B2622 : U C3p_endo anti
+B2623 : G C3p_endo anti
+B2624 : G C3p_endo anti
+B2625 : G C3p_endo anti
+B2626 : C C3p_endo anti
+B2627 : G C3p_endo anti
+B2628 : C C3p_endo anti
+B2629 : U C3p_endo anti
+B2630 : G C3p_endo anti
+B2631 : G C3p_endo anti
+B2632 : A C3p_endo anti
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+B2636 : C C3p_endo anti
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+B2641 : G C3p_endo anti
+B2642 : G C3p_endo anti
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+B2654 : A C2p_endo anti
+B2655 : G C2p_endo anti
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+B2657 : A C3p_endo anti
+B2658 : C C3p_endo anti
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+B2660 : A O4p_endo anti
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+B2662 : A C4p_exo anti
+B2663 : G C3p_endo anti
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+B2692 : G C3p_endo anti
+B2693 : G C3p_endo anti
+B2694 : G C3p_endo anti
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+B2696 : U C3p_endo anti
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+B2698 : U C3p_endo anti
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+B2700 : A C3p_endo anti
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+B2709 : G C3p_endo anti
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+B2716 : C C3p_endo anti
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+B2719 : G C3p_endo anti
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+B2722 : G C3p_endo anti
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+B2728 : U C3p_endo anti
+B2729 : G C3p_endo anti
+B2730 : C C3p_endo anti
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+B2752 : C C3p_endo anti
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+B2758 : A C3p_endo anti
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+B2760 : C C3p_endo anti
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+B2769 : U C3p_endo anti
+B2770 : G C3p_endo anti
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+B2772 : C C3p_endo anti
+B2773 : C C3p_endo anti
+B2774 : C C3p_endo anti
+B2775 : G C3p_endo anti
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+B2784 : U C3p_endo anti
+B2785 : C C3p_endo anti
+B2786 : U C3p_endo anti
+B2787 : C C3p_endo anti
+B2788 : C C3p_endo anti
+B2789 : C C3p_endo anti
+B2790 : U C3p_endo anti
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+B2792 : A C3p_endo anti
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+B2798 : U C3p_endo syn
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+B2802 : G C3p_endo anti
+B2803 : G C3p_endo anti
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+B2812 : G C3p_endo anti
+B2813 : A C3p_endo anti
+B2814 : A C3p_endo anti
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+B2816 : G C3p_endo anti
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+B2822 : G C3p_endo syn
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+B2828 : G C3p_endo anti
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+B2830 : C C3p_endo anti
+B2831 : G C3p_endo anti
+B2832 : U C3p_endo anti
+B2833 : U C3p_endo anti
+B2834 : G C3p_endo anti
+B2835 : A C3p_endo syn
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+B2837 : A C3p_endo anti
+B2838 : G C3p_endo anti
+B2839 : G C3p_endo anti
+B2840 : C C3p_endo anti
+B2841 : C C3p_endo anti
+B2842 : G C3p_endo anti
+B2843 : G C3p_endo anti
+B2844 : G C3p_endo syn
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+B2846 : G C3p_endo anti
+B2847 : U C3p_endo anti
+B2848 : G C3p_endo syn
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+B2852 : G C3p_endo anti
+B2853 : C C3p_endo anti
+B2854 : G C3p_endo anti
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+B2856 : A C3p_endo anti
+B2857 : G C3p_endo anti
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+B2860 : A C3p_endo anti
+B2861 : U C3p_endo anti
+B2862 : G C3p_endo anti
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+B2887 : A C3p_endo anti
+B2888 : C C3p_endo anti
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+B2890 : G C3p_endo anti
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+B2900 : A C3p_endo anti
+B2901 : C C3p_endo anti
+B2902 : C C3p_endo anti
+B2903 : U C3p_endo anti
+B2904 : U C3p_endo syn
+Adjacent stackings ----------------------------------------------
+B1-B2 : adjacent_5p upward 
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+B108-B109 : adjacent_5p upward 
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+B197-B198 : adjacent_5p upward pairing 
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+B250-B251 : adjacent_5p upward 
+B251-B252 : adjacent_5p upward 
+B252-B253 : adjacent_5p upward 
+B253-B254 : adjacent_5p inward pairing 
+B258-B259 : adjacent_5p upward 
+B259-B260 : adjacent_5p upward 
+B260-B261 : adjacent_5p upward 
+B261-B262 : adjacent_5p upward 
+B265-B266 : adjacent_5p upward 
+B266-B267 : adjacent_5p upward 
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+B333-B334 : adjacent_5p upward 
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+B350-B351 : adjacent_5p upward 
+B352-B353 : adjacent_5p upward 
+B354-B355 : adjacent_5p upward 
+B356-B357 : adjacent_5p upward 
+B363-B364 : adjacent_5p upward 
+B375-B376 : adjacent_5p upward 
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+B379-B380 : adjacent_5p upward 
+B380-B381 : adjacent_5p upward 
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+B386-B387 : adjacent_5p upward 
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+B389-B390 : adjacent_5p upward 
+B390-B391 : adjacent_5p upward 
+B396-B397 : adjacent_5p upward 
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+B409-B410 : adjacent_5p upward 
+B415-B416 : adjacent_5p upward 
+B424-B425 : adjacent_5p upward 
+B425-B426 : adjacent_5p upward 
+B438-B439 : adjacent_5p upward 
+B439-B440 : adjacent_5p upward 
+B446-B447 : adjacent_5p upward pairing 
+B457-B458 : adjacent_5p inward 
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+B472-B473 : adjacent_5p upward pairing 
+B473-B474 : adjacent_5p upward 
+B474-B475 : adjacent_5p upward 
+B492-B493 : adjacent_5p outward 
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+B494-B495 : adjacent_5p upward 
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+B515-B516 : adjacent_5p upward 
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+B520-B521 : adjacent_5p upward 
+B522-B523 : adjacent_5p upward 
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+B541-B542 : adjacent_5p upward 
+B543-B544 : adjacent_5p upward 
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+B549-B550 : adjacent_5p upward 
+B551-B552 : adjacent_5p upward 
+B553-B554 : adjacent_5p upward 
+B559-B560 : adjacent_5p upward 
+B579-B580 : adjacent_5p upward 
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+B583-B584 : adjacent_5p upward 
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+B593-B594 : adjacent_5p upward 
+B594-B595 : adjacent_5p upward 
+B597-B598 : adjacent_5p upward 
+B599-B600 : adjacent_5p upward 
+B600-B601 : adjacent_5p upward 
+B604-B605 : adjacent_5p upward 
+B605-B606 : adjacent_5p upward 
+B613-B614 : adjacent_5p upward 
+B614-B615 : adjacent_5p upward 
+B617-B618 : adjacent_5p upward 
+B621-B622 : adjacent_5p upward 
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+B628-B629 : adjacent_5p upward 
+B638-B639 : adjacent_5p upward 
+B639-B640 : adjacent_5p upward 
+B641-B642 : adjacent_5p upward 
+B647-B648 : adjacent_5p upward 
+B648-B649 : adjacent_5p upward 
+B649-B650 : adjacent_5p upward 
+B656-B657 : adjacent_5p upward 
+B659-B660 : adjacent_5p upward 
+B661-B662 : adjacent_5p upward 
+B662-B663 : adjacent_5p upward 
+B663-B664 : adjacent_5p upward 
+B664-B665 : adjacent_5p upward 
+B666-B667 : adjacent_5p upward 
+B681-B682 : adjacent_5p upward 
+B682-B683 : adjacent_5p upward 
+B689-B690 : adjacent_5p upward 
+B690-B691 : adjacent_5p upward 
+B693-B694 : adjacent_5p upward 
+B695-B696 : adjacent_5p upward 
+B696-B697 : adjacent_5p upward 
+B700-B701 : adjacent_5p upward 
+B701-B702 : adjacent_5p upward 
+B707-B708 : adjacent_5p upward 
+B708-B709 : adjacent_5p upward 
+B711-B712 : adjacent_5p upward 
+B715-B716 : adjacent_5p upward 
+B716-B717 : adjacent_5p upward 
+B717-B718 : adjacent_5p upward 
+B721-B722 : adjacent_5p upward 
+B722-B723 : adjacent_5p upward 
+B729-B730 : adjacent_5p upward 
+B730-B731 : adjacent_5p upward 
+B742-B743 : adjacent_5p upward 
+B743-B744 : adjacent_5p upward 
+B750-B751 : adjacent_5p upward 
+B751-B752 : adjacent_5p upward 
+B752-B753 : adjacent_5p upward 
+B753-B754 : adjacent_5p upward 
+B756-B757 : adjacent_5p upward 
+B757-B758 : adjacent_5p upward 
+B759-B760 : adjacent_5p upward 
+B768-B769 : adjacent_5p upward 
+B770-B771 : adjacent_5p upward 
+B771-B772 : adjacent_5p upward 
+B774-B775 : adjacent_5p upward 
+B777-B778 : adjacent_5p upward 
+B794-B795 : adjacent_5p upward 
+B797-B798 : adjacent_5p upward 
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+B805-B806 : adjacent_5p upward 
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+B829-B830 : adjacent_5p upward 
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+B834-B835 : adjacent_5p upward 
+B841-B842 : adjacent_5p upward 
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+B845-B846 : adjacent_5p downward 
+B849-B850 : adjacent_5p upward 
+B855-B856 : adjacent_5p upward 
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+B869-B870 : adjacent_5p upward 
+B874-B875 : adjacent_5p upward 
+B879-B880 : adjacent_5p upward 
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+B883-B884 : adjacent_5p upward 
+B887-B888 : adjacent_5p upward 
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+B904-B905 : adjacent_5p upward 
+B907-B908 : adjacent_5p upward 
+B923-B924 : adjacent_5p upward 
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+B928-B929 : adjacent_5p upward 
+B936-B937 : adjacent_5p upward 
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+B939-B940 : adjacent_5p upward 
+B947-B948 : adjacent_5p upward 
+B949-B950 : adjacent_5p upward 
+B950-B951 : adjacent_5p upward 
+B952-B953 : adjacent_5p upward 
+B953-B954 : adjacent_5p upward 
+B954-B955 : adjacent_5p upward 
+B955-B956 : adjacent_5p upward pairing 
+B962-B963 : adjacent_5p upward 
+B966-B967 : adjacent_5p upward 
+B969-B970 : adjacent_5p upward 
+B976-B977 : adjacent_5p upward 
+B977-B978 : adjacent_5p upward 
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+B983-B984 : adjacent_5p upward pairing 
+B984-B985 : adjacent_5p upward 
+B993-B994 : adjacent_5p upward 
+B996-B997 : adjacent_5p upward 
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+B1002-B1003 : adjacent_5p upward 
+B1003-B1004 : adjacent_5p upward 
+B1014-B1015 : adjacent_5p upward 
+B1016-B1017 : adjacent_5p upward 
+B1017-B1018 : adjacent_5p upward 
+B1021-B1022 : adjacent_5p downward pairing 
+B1034-B1035 : adjacent_5p upward 
+B1036-B1037 : adjacent_5p upward 
+B1037-B1038 : adjacent_5p upward 
+B1041-B1042 : adjacent_5p upward 
+B1042-B1043 : adjacent_5p upward 
+B1051-B1052 : adjacent_5p upward 
+B1054-B1055 : adjacent_5p upward 
+B1055-B1056 : adjacent_5p upward 
+B1057-B1058 : adjacent_5p upward 
+B1059-B1060 : adjacent_5p inward 
+B1062-B1063 : adjacent_5p upward 
+B1063-B1064 : adjacent_5p upward 
+B1064-B1065 : adjacent_5p upward 
+B1065-B1066 : adjacent_5p upward 
+B1067-B1068 : adjacent_5p upward 
+B1068-B1069 : adjacent_5p upward 
+B1071-B1072 : adjacent_5p upward 
+B1073-B1074 : adjacent_5p upward 
+B1074-B1075 : adjacent_5p upward 
+B1076-B1077 : adjacent_5p upward 
+B1077-B1078 : adjacent_5p upward 
+B1079-B1080 : adjacent_5p upward 
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+B2842-B2843 : adjacent_5p upward 
+B2851-B2852 : adjacent_5p upward 
+B2852-B2853 : adjacent_5p upward 
+B2854-B2855 : adjacent_5p upward 
+B2860-B2861 : adjacent_5p upward 
+B2862-B2863 : adjacent_5p upward 
+B2864-B2865 : adjacent_5p upward 
+B2876-B2877 : adjacent_5p upward 
+B2877-B2878 : adjacent_5p upward 
+B2895-B2896 : adjacent_5p upward 
+B2899-B2900 : adjacent_5p upward 
+B2900-B2901 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+B5-B2899 : outward 
+B16-B1197 : downward 
+B17-B524 : outward 
+B19-B522 : outward 
+B21-B520 : outward 
+B23-B518 : outward 
+B29-B805 : outward 
+B30-B476 : outward 
+B38-B442 : outward 
+B42-B438 : outward 
+B43-B44 : upward 
+B58-B70 : outward 
+B77-B110 : outward 
+B80-B107 : outward 
+B91-B498 : upward pairing 
+B98-B101 : outward 
+B134-B146 : outward 
+B136-B144 : outward 
+B152-B175 : outward 
+B155-B172 : outward 
+B157-B158 : upward 
+B159-B167 : outward 
+B185-B212 : outward 
+B188-B191 : upward 
+B191-B208 : outward 
+B262-B430 : upward 
+B265-B369 : outward 
+B269-B271 : outward 
+B270-B2157 : outward 
+B282-B359 : outward 
+B285-B356 : outward 
+B287-B354 : outward 
+B289-B352 : outward 
+B291-B350 : outward 
+B297-B342 : outward 
+B303-B315 : outward 
+B363-B428 : downward 
+B379-B396 : outward 
+B415-B2409 : outward 
+B445-B470 : upward 
+B454-B458 : upward 
+B464-B466 : upward 
+B489-B491 : outward 
+B489-B510 : inward 
+B499-B505 : downward 
+B501-B504 : downward 
+B524-B810 : inward 
+B527-B1189 : inward pairing 
+B528-B530 : outward pairing 
+B535-B559 : outward 
+B541-B553 : outward 
+B543-B551 : outward 
+B570-B2043 : downward pairing 
+B582-B1259 : outward 
+B590-B668 : outward 
+B592-B666 : outward 
+B597-B661 : outward 
+B599-B659 : outward 
+B630-B632 : upward 
+B675-B1249 : downward 
+B681-B797 : outward 
+B684-B790 : upward 
+B689-B774 : outward 
+B693-B770 : outward 
+B695-B768 : outward 
+B706-B727 : downward pairing 
+B711-B721 : outward 
+B738-B759 : outward 
+B742-B756 : outward 
+B779-B792 : outward 
+B818-B820 : downward 
+B825-B833 : outward 
+B841-B938 : outward 
+B843-B936 : outward 
+B849-B930 : outward 
+B850-B851 : upward 
+B855-B923 : outward 
+B869-B909 : outward 
+B874-B904 : outward 
+B926-B928 : upward 
+B947-B971 : outward 
+B949-B969 : outward 
+B952-B966 : outward 
+B991-B1185 : downward 
+B993-B1162 : outward 
+B1014-B1149 : outward 
+B1016-B1147 : outward 
+B1031-B1124 : outward 
+B1032-B1126 : outward 
+B1034-B1123 : outward 
+B1036-B1120 : outward 
+B1054-B1106 : outward 
+B1057-B1086 : outward 
+B1059-B1080 : outward 
+B1061-B1070 : outward 
+B1062-B1077 : outward 
+B1063-B1076 : outward 
+B1069-B1073 : upward 
+B1071-B1089 : downward pairing 
+B1079-B1088 : downward 
+B1087-B1089 : upward 
+B1087-B1103 : outward 
+B1090-B1102 : outward 
+B1159-B1160 : upward 
+B1165-B1185 : outward 
+B1168-B1182 : outward 
+B1171-B1179 : outward 
+B1202-B1244 : outward 
+B1218-B1232 : outward 
+B1220-B1230 : outward 
+B1279-B1292 : outward 
+B1285-B2012 : downward pairing 
+B1294-B1295 : upward 
+B1296-B1645 : outward 
+B1302-B1606 : inward 
+B1307-B1622 : outward 
+B1311-B1640 : outward pairing 
+B1317-B1336 : outward 
+B1320-B1323 : upward 
+B1324-B1331 : outward 
+B1346-B1601 : outward 
+B1359-B1370 : downward 
+B1359-B1371 : inward pairing 
+B1387-B1401 : outward 
+B1407-B1596 : outward 
+B1410-B1593 : outward 
+B1413-B1590 : outward 
+B1419-B1631 : outward 
+B1425-B1567 : outward 
+B1429-B1430 : upward 
+B1441-B1551 : outward 
+B1444-B1548 : outward 
+B1448-B1464 : outward 
+B1450-B1526 : inward 
+B1473-B1519 : outward 
+B1482-B1508 : outward 
+B1532-B1540 : outward 
+B1570-B1572 : downward pairing 
+B1630-B1637 : outward 
+B1649-B2009 : outward 
+B1659-B2002 : outward 
+B1663-B1665 : upward 
+B1663-B1998 : outward 
+B1684-B1705 : outward 
+B1710-B1749 : outward 
+B1714-B1737 : upward 
+B1717-B1743 : outward 
+B1722-B1724 : upward 
+B1722-B1740 : downward pairing 
+B1766-B1987 : outward 
+B1770-B1983 : outward 
+B1772-B1980 : outward 
+B1776-B1789 : outward 
+B1794-B1826 : outward 
+B1797-B1823 : outward 
+B1799-B1821 : outward 
+B1805-B1813 : outward 
+B1831-B1975 : outward 
+B1845-B1896 : outward 
+B1848-B1857 : upward 
+B1854-B1858 : inward 
+B1867-B1877 : outward 
+B1910-B1921 : outward 
+B1936-B1938 : inward 
+B1945-B2433 : downward 
+B1948-B1959 : outward 
+B1971-B2554 : inward 
+B2023-B2024 : upward 
+B2024-B2040 : outward 
+B2027-B2037 : outward 
+B2046-B2623 : outward 
+B2048-B2621 : outward 
+B2059-B2555 : inward 
+B2060-B2448 : upward pairing 
+B2067-B2444 : outward 
+B2080-B2241 : outward 
+B2090-B2230 : outward 
+B2097-B2193 : outward 
+B2100-B2190 : outward 
+B2107-B2183 : outward 
+B2123-B2176 : outward 
+B2136-B2156 : outward 
+B2138-B2154 : outward 
+B2140-B2152 : outward 
+B2201-B2223 : outward 
+B2202-B2204 : upward 
+B2204-B2221 : outward 
+B2209-B2216 : outward 
+B2250-B2255 : outward 
+B2293-B2340 : outward 
+B2303-B2314 : outward 
+B2330-B2386 : outward 
+B2349-B2369 : outward 
+B2355-B2363 : outward 
+B2373-B2381 : outward 
+B2377-B2394 : inward 
+B2396-B2421 : outward 
+B2399-B2418 : outward 
+B2442-B2443 : upward pairing 
+B2451-B2563 : outward pairing 
+B2458-B2494 : outward 
+B2461-B2490 : outward 
+B2464-B2487 : outward 
+B2508-B2581 : outward 
+B2516-B2569 : outward 
+B2521-B2522 : upward 
+B2523-B2541 : outward 
+B2549-B2560 : outward 
+B2639-B2641 : inward pairing 
+B2648-B2673 : outward 
+B2654-B2656 : outward 
+B2656-B2664 : inward 
+B2657-B2665 : outward 
+B2659-B2663 : outward 
+B2677-B2731 : outward 
+B2679-B2729 : outward 
+B2681-B2683 : upward 
+B2682-B2688 : outward pairing 
+B2682-B2720 : inward 
+B2687-B2722 : downward 
+B2688-B2725 : inward pairing 
+B2692-B2718 : outward 
+B2697-B2711 : outward 
+B2700-B2708 : outward 
+B2744-B2761 : outward 
+B2816-B2831 : outward 
+B2819-B2828 : outward 
+B2837-B2882 : outward 
+B2842-B2876 : outward 
+B2845-B2867 : inward 
+B2851-B2868 : outward 
+B2854-B2864 : outward 
+B2856-B2862 : outward 
+B2884-B2887 : upward pairing 
+Number of stackings = 1057
+Number of adjacent stackings = 823
+Number of non adjacent stackings = 234
+Base-pairs ------------------------------------------------------
+B1-B2902 : G-C Ww/Ww pairing antiparallel cis XIX 
+B1-B2904 : G-U O2P/Ww pairing 
+B2-B2901 : G-C Ww/Ww pairing antiparallel cis XIX 
+B3-B2900 : U-A Ww/Ww pairing antiparallel cis XX 
+B4-B2899 : U-A Ww/Ww pairing antiparallel cis XX 
+B5-B2898 : A-U Ww/Ww pairing antiparallel cis XX 
+B6-B2897 : A-U Ww/Ww pairing antiparallel cis XX 
+B7-B2896 : G-C Ww/Ww pairing antiparallel cis XIX 
+B8-B9 : C-G O2P/Hh O2P/C8 adjacent_5p pairing 
+B8-B2895 : C-G Ww/Ww pairing antiparallel cis XIX 
+B9-B526 : G-A Sw/Ss Bs/O2' Ss/O2' pairing antiparallel cis one_hbond 
+B9-B527 : G-C Ss/O2P pairing 
+B9-B1192 : G-G Hh/O2P pairing 
+B9-B1193 : G-G O2P/Hh pairing 
+B10-B525 : A-U Ww/O2P pairing 
+B10-B587 : A-C Ss/O2P pairing 
+B10-B810 : A-U Wh/Bs pairing parallel trans one_hbond 
+B12-B813 : U-U O2'/Hh pairing 
+B12-B1195 : U-G O2P/Ss O2P/C8 pairing 
+B13-B584 : A-C Ss/Bh O2'/Bh pairing parallel trans one_hbond 
+B13-B585 : A-G O2P/Ss pairing 
+B14-B1256 : A-G O2'/Hh pairing 
+B15-B1197 : G-G O2P/Ww O2P/Bs pairing 
+B15-B1252 : G-G Ww/Bh pairing antiparallel trans one_hbond 115 
+B15-B1255 : G-U C8/O2' pairing 
+B16-B524 : C-G Ww/Ww pairing antiparallel cis XIX 
+B16-B1198 : C-U O2P/Hh pairing 
+B17-B523 : G-C Ww/Ww pairing antiparallel cis XIX 
+B17-B809 : G-G O2'/Bs pairing 
+B18-B522 : U-A Ww/Ww pairing antiparallel cis XX 
+B19-B521 : A-U Ww/Ww pairing antiparallel cis XX 
+B19-B669 : A-G O2P/Hh pairing 
+B20-B520 : C-G Ww/Ww pairing antiparallel cis XIX 
+B20-B669 : C-G O2P/Hh pairing 
+B21-B519 : A-U Ww/Ww pairing antiparallel cis XX 
+B22-B518 : C-G Ww/Ww pairing antiparallel cis XIX 
+B23-B507 : G-A Bs/O2' pairing 
+B23-B508 : G-A Ss/O2P Ss/O2P pairing 
+B23-B517 : G-C Ww/Ww pairing antiparallel cis XIX 
+B24-B26 : G-G Sw/Hh pairing antiparallel trans one_hbond 108 
+B24-B516 : G-C Ww/Ww pairing antiparallel cis XIX 
+B25-B515 : U-A Ww/Ww pairing antiparallel cis XX 
+B27-B515 : G-A Hh/O2' C8/O2' pairing 
+B27-B516 : G-C Ww/O2P pairing 
+B27-B1249 : G-U Bs/O2P Ss/O2P pairing 
+B28-B673 : A-C Hh/O2' pairing 
+B28-B674 : A-G Bh/O2P pairing 
+B28-B675 : A-A Ss/O2P pairing 
+B28-B801 : A-G Bh/O2P pairing 
+B28-B1249 : A-U C8/O2P pairing 
+B28-B1250 : A-G Ss/O2P C8/O2P pairing 
+B28-B1252 : A-G Hh/C8 pairing parallel cis one_hbond 
+B29-B476 : U-G Ws/Ws pairing antiparallel cis one_hbond 
+B29-B1250 : U-G O2P/Ww O2P/Bs O2P/Ss pairing 
+B30-B475 : G-C Ww/Ww pairing antiparallel cis XIX 
+B30-B1250 : G-G O2P/Ww O2P/Bs O2P/Ss pairing 
+B31-B474 : C-G Ww/Ww pairing antiparallel cis XIX 
+B32-B473 : C-G Ww/Ww pairing antiparallel cis XIX 
+B33-B677 : C-A O2'/Ss pairing 
+B34-B678 : U-C Hh/O2P pairing 
+B35-B445 : G-C Ww/Ww pairing antiparallel cis XIX 
+B36-B444 : G-C Ww/Ww pairing antiparallel cis XIX 
+B37-B442 : C-G Ww/Ww pairing antiparallel cis XIX 
+B38-B441 : A-U Ww/Ww pairing antiparallel cis XX 
+B39-B227 : G-A O2P/Bh pairing 
+B39-B440 : G-C Ww/Ww pairing antiparallel cis XIX 
+B40-B228 : U-C O2P/Ww pairing 
+B40-B439 : U-A Ww/Ww pairing antiparallel cis XX 
+B41-B438 : C-G Ww/Ww pairing antiparallel cis XIX 
+B42-B437 : A-U Ww/Ww pairing antiparallel cis XX 
+B43-B436 : G-C Ww/Ww pairing antiparallel cis XIX 
+B44-B434 : A-U Ww/Ww pairing antiparallel cis XX 
+B45-B46 : G-G O2P/Hh adjacent_5p pairing 
+B45-B433 : G-C Ww/Ww pairing antiparallel cis XIX 
+B51-B175 : G-G O2'/Bs pairing 
+B51-B176 : G-A O2'/Ss pairing 
+B52-B53 : A-A Ss/O2P pairing 
+B52-B117 : A-G O2'/Bs pairing 
+B52-B118 : A-A Bh/O2P Hh/O2P pairing 
+B52-B176 : A-A O2P/Ww O2P/Ss pairing 
+B53-B174 : A-U Hh/O2P C8/O2P pairing 
+B53-B175 : A-G Ss/O2P pairing 
+B54-B116 : G-C Ww/Ww pairing antiparallel cis XIX 
+B55-B73 : G-A Hh/Bh pairing parallel trans 30 
+B55-B115 : G-C Ww/Ww pairing antiparallel cis XIX 
+B56-B114 : A-U Ww/Ww pairing antiparallel cis XX 
+B57-B70 : C-G Ww/Ww pairing antiparallel cis XIX 
+B58-B69 : G-C Ww/Ww pairing antiparallel cis XIX 
+B59-B64 : U-A Ss/Bs pairing parallel cis one_hbond 
+B59-B68 : U-G Ws/Ws pairing antiparallel cis one_hbond 
+B61-B89 : C-A Ww/O2P pairing 
+B61-B91 : C-A Bh/O2' pairing 
+B61-B93 : C-G Ww/Ww pairing antiparallel cis XIX 
+B61-B496 : C-G Ww/O2P pairing 
+B63-B64 : A-A Ss/Wh adjacent_5p pairing antiparallel trans one_hbond 40 
+B63-B70 : A-G Bh/O2' pairing 
+B64-B69 : A-C Bh/O2' pairing 
+B64-B86 : A-G Bh/O2P Hh/O2P pairing 
+B65-B89 : U-A Ww/Ww pairing antiparallel cis XX 
+B66-B68 : C-G O2P/C8 pairing 
+B66-B88 : C-G Ww/Ww pairing antiparallel cis XIX 
+B67-B74 : U-A Ww/Ww pairing antiparallel cis XX 
+B71-B72 : A-U O2P/Ww adjacent_5p pairing 
+B71-B102 : A-U Hw/Hw pairing antiparallel cis one_hbond 
+B71-B106 : A-C Ss/O2P C8/O2P pairing 
+B71-B107 : A-G Wh/Hw pairing parallel cis one_hbond 
+B73-B100 : A-U O2P/Ww pairing 
+B73-B118 : A-A O2P/Ss pairing 
+B74-B106 : A-C Hh/O2P pairing 
+B75-B112 : G-U Hh/O2P pairing 
+B75-B113 : G-U Ss/O2P pairing 
+B76-B110 : C-G Ww/Ww pairing antiparallel cis XIX 
+B76-B112 : C-U Bh/O2' pairing 
+B76-B119 : C-A Bh/O2' pairing 
+B77-B99 : G-U O2P/Hh O2P/Ww Hh/O2' pairing 
+B77-B109 : G-C Ww/Ww pairing antiparallel cis XIX 
+B77-B147 : G-C C8/O2P pairing 
+B78-B99 : U-U O2P/Hh pairing 
+B78-B108 : U-G Ws/Ws pairing antiparallel cis one_hbond 
+B78-B126 : U-A O2'/Bh pairing 
+B79-B107 : C-G Ww/Ww pairing antiparallel cis XIX 
+B79-B126 : C-A O2P/Bh O2P/Hh pairing 
+B80-B106 : G-C Ww/Ww pairing antiparallel cis XIX 
+B81-B98 : G-G Hw/Ww pairing parallel trans one_hbond 
+B81-B105 : G-C Ww/Ww pairing antiparallel cis XIX 
+B82-B84 : U-A O2'/Ss O2'/C8 pairing 
+B82-B104 : U-A Ww/Ww pairing antiparallel cis XX 
+B83-B84 : A-A O2P/Ss adjacent_5p pairing 
+B83-B89 : A-A Hh/O2' C8/O2' pairing 
+B84-B86 : A-G Hw/Wh pairing antiparallel cis one_hbond 67 
+B85-B97 : G-C Ww/Ww pairing antiparallel cis XIX 
+B86-B88 : G-G O2P/Ww pairing 
+B86-B96 : G-C Ww/Ww pairing antiparallel cis XIX 
+B86-B497 : G-A O2'/Ww pairing 
+B87-B88 : U-G O2P/Hh pairing 
+B87-B95 : U-A Ww/Ww pairing antiparallel cis XX 
+B88-B93 : G-G O2P/Bs pairing 
+B90-B91 : U-A O2P/Hh O2P/C8 adjacent_5p pairing 
+B91-B94 : A-A Ss/Wh pairing antiparallel trans one_hbond 40 
+B91-B498 : A-G O2'/Hh upward pairing 
+B92-B498 : U-G O2'/C8 pairing 
+B93-B496 : G-G Bs/O2P pairing 
+B93-B498 : G-G Bs/O2P Ss/O2P pairing 
+B93-B499 : G-U Hh/O2P pairing 
+B93-B504 : G-A C8/O2P pairing 
+B94-B95 : A-A O2P/Ss O2P/C8 adjacent_5p pairing 
+B98-B99 : G-U Bs/O2P Ss/O2P adjacent_5p pairing 
+B98-B103 : G-A O2P/Ss pairing 
+B98-B106 : G-C Hw/Bh pairing antiparallel trans 122 
+B99-B102 : U-U O2P/Hh pairing 
+B100-B101 : U-A O2P/C8 O2'/Ww O2'/Bh adjacent_5p pairing 
+B100-B119 : U-A O2P/Ss pairing 
+B101-B104 : A-A Ss/O2P pairing 
+B101-B105 : A-C Ww/O2P pairing 
+B102-B119 : U-A Ww/Ww pairing antiparallel cis XX 
+B103-B104 : A-A Hh/Hh adjacent_5p pairing antiparallel cis 36 
+B110-B111 : G-A Hh/O2' pairing 
+B111-B112 : A-U Ss/O2P adjacent_5p pairing 
+B112-B119 : U-A O2'/Ss O2'/C8 pairing 
+B113-B115 : U-C Ww/O2P pairing 
+B113-B119 : U-A O2P/C8 pairing 
+B117-B177 : G-G Bs/O2P pairing 
+B120-B121 : U-G Hh/O2P adjacent_5p pairing 
+B120-B148 : U-U Hh/O2P Hh/O2P pairing 
+B121-B130 : G-C Ww/Ww pairing antiparallel cis XIX 
+B122-B125 : G-A O2P/C8 O2P/Ss O2P/C8 pairing 
+B122-B129 : G-C Ww/Ww pairing antiparallel cis XIX 
+B123-B128 : G-C Ww/Ww pairing antiparallel cis XIX 
+B124-B128 : G-C Hw/Wh pairing parallel cis one_hbond 
+B127-B128 : A-C O2P/Bh adjacent_5p pairing 
+B128-B1327 : C-A O2P/Ss pairing 
+B129-B1327 : C-A O2P/Ww O2P/Bh O2P/Ww pairing 
+B131-B148 : A-U Ww/Ww pairing antiparallel cis XX 
+B132-B147 : G-C Ww/Ww pairing antiparallel cis XIX 
+B133-B146 : U-A Ww/Ww pairing antiparallel cis XX 
+B134-B145 : G-C Ww/Ww pairing antiparallel cis XIX 
+B135-B144 : U-A Ww/Ww pairing antiparallel cis XX 
+B136-B143 : G-C Ww/Ww pairing antiparallel cis XIX 
+B136-B1325 : G-U Bs/O2' pairing 
+B136-B1326 : G-U Bs/O2' Ss/O2' pairing 
+B137-B142 : U-A Ww/Ww pairing antiparallel cis XX 
+B141-B142 : G-A O2P/Bh adjacent_5p outward pairing 
+B141-B1324 : G-G Ww/O2' pairing 
+B141-B1331 : G-G C8/Ss pairing parallel cis one_hbond 
+B143-B1326 : C-U O2'/Ww pairing 
+B143-B1328 : C-A O2P/C8 O2P/Ww O2P/Ss pairing 
+B144-B1326 : A-U Ss/O2' pairing 
+B144-B1327 : A-A O2P/Ww O2P/Bh O2P/Hh pairing 
+B144-B1328 : A-A O2P/Ss pairing 
+B150-B176 : U-A Ww/Ww pairing antiparallel cis XX 
+B151-B175 : C-G Ww/Ww pairing antiparallel cis XIX 
+B152-B174 : A-U Ww/Ww pairing antiparallel cis XX 
+B153-B173 : U-A Ww/Ww pairing antiparallel cis XX 
+B154-B172 : U-A Ww/Ww pairing antiparallel cis XX 
+B155-B171 : A-U Ww/Ww pairing antiparallel cis XX 
+B156-B170 : A-U Ww/Ww pairing antiparallel cis XX 
+B157-B169 : C-G Ww/Ww pairing antiparallel cis XIX 
+B158-B160 : U-A O2P/Bh pairing 
+B158-B167 : U-A Ww/Ww pairing antiparallel cis XX 
+B159-B160 : G-A O2P/Hh adjacent_5p pairing 
+B159-B166 : G-U Ws/Ws pairing antiparallel cis one_hbond 
+B160-B161 : A-A O2'/Hh adjacent_5p pairing 
+B160-B163 : A-C O2'/Bh pairing 
+B166-B168 : U-G O2'/Hh pairing 
+B168-B1552 : G-A Bs/O2P pairing 
+B175-B178 : G-G O2'/Bs O2'/Ss pairing 
+B178-B179 : G-C Hh/Hw adjacent_5p pairing antiparallel cis one_hbond 116 
+B179-B195 : C-A Ww/O2P Bh/O2P pairing 
+B180-B189 : G-G O2'/Ww pairing 
+B180-B198 : G-C C8/O2P pairing 
+B181-B189 : A-G O2P/Ww O2P/Bs pairing 
+B181-B195 : A-A O2P/Bh pairing 
+B182-B188 : A-G Bs/Hh pairing antiparallel trans one_hbond 
+B182-B204 : A-A O2P/Bh pairing 
+B184-B212 : C-G Ww/Ww pairing antiparallel cis XIX 
+B185-B211 : G-C Ww/Ww pairing antiparallel cis XIX 
+B186-B210 : G-C Ww/Ww pairing antiparallel cis XIX 
+B186-B218 : G-A O2'/Ss pairing 
+B187-B209 : G-C Ww/Ww pairing antiparallel cis XIX 
+B188-B190 : G-A O2P/Ss O2P/Hh O2P/C8 pairing 
+B188-B208 : G-C Ww/Ww pairing antiparallel cis XIX 
+B189-B192 : G-C Hh/O2P pairing 
+B190-B216 : A-A Hw/Ss pairing parallel trans one_hbond 
+B191-B206 : A-U Ww/Ww pairing antiparallel cis XX 
+B192-B205 : C-G Ww/Ww pairing antiparallel cis XIX 
+B193-B204 : U-A Ww/Ww pairing antiparallel cis XX 
+B194-B201 : G-C Ww/Ww pairing antiparallel cis XIX 
+B195-B196 : A-A O2'/Hh adjacent_5p pairing 
+B195-B200 : A-U Ww/Ww pairing antiparallel cis XX 
+B196-B197 : A-A O2'/Hh adjacent_5p pairing 
+B197-B198 : A-C O2P/Bh adjacent_5p upward pairing 
+B198-B199 : C-A Ws/Hw O2'/Hh O2'/C8 adjacent_5p pairing parallel cis one_hbond 80 
+B201-B203 : C-A O2P/Hh Hh/O2P pairing 
+B202-B204 : U-A O2'/Ss O2'/C8 pairing 
+B203-B204 : A-A O2P/Hh O2P/C8 adjacent_5p pairing 
+B210-B217 : C-A Ss/Bs O2'/Ww O2'/Bh pairing antiparallel trans one_hbond 
+B211-B213 : C-A Ss/Bs O2'/Ss O2'/C8 pairing parallel cis one_hbond 
+B213-B219 : A-A Hh/O2P pairing 
+B213-B244 : A-A O2P/C8 pairing 
+B214-B243 : G-U Bs/O2P pairing 
+B214-B254 : G-G Ww/O2' pairing 
+B214-B256 : G-A O2'/Ss C8/O2' pairing 
+B215-B216 : G-A Ss/O2P C8/O2P adjacent_5p pairing 
+B216-B218 : A-A O2P/Ss pairing 
+B216-B256 : A-A O2P/Hh O2P/Bh pairing 
+B216-B257 : A-C Hh/Wh pairing parallel cis one_hbond 69 
+B219-B256 : A-A O2P/Ww O2P/Ss pairing 
+B219-B276 : A-U Ss/Ww pairing parallel trans one_hbond 42 
+B220-B258 : G-G C8/Hw O2'/Hh pairing antiparallel cis one_hbond 
+B221-B222 : A-A O2'/C8 Hh/O2' adjacent_5p pairing 
+B221-B278 : A-A Ww/Ss Ss/O2' pairing antiparallel cis 
+B221-B279 : A-A Ss/O2P C8/O2P pairing 
+B222-B223 : A-A O2P/Ww O2P/Bh adjacent_5p pairing 
+B222-B224 : A-U O2'/Ww pairing 
+B222-B261 : A-G O2P/Hh pairing 
+B222-B278 : A-A Ww/O2' pairing 
+B223-B260 : A-G Wh/Hh Bh/O2P Hh/O2P pairing parallel cis one_hbond 61 
+B223-B261 : A-G O2P/Hh Ss/O2P pairing 
+B223-B262 : A-A O2P/Bh O2P/Hh pairing 
+B223-B279 : A-A Hh/O2P pairing 
+B224-B231 : U-A Ww/Ww pairing antiparallel cis XX 
+B225-B226 : C-A O2'/Hh adjacent_5p pairing 
+B225-B227 : C-A Hh/O2P pairing 
+B225-B228 : C-C Bh/O2P pairing 
+B225-B230 : C-G Ww/Ww pairing antiparallel cis XIX 
+B225-B281 : C-C O2P/Bh pairing 
+B226-B356 : A-G Ss/O2P Ss/O2P C8/O2P pairing 
+B226-B357 : A-C O2P/Bh Hh/O2P pairing 
+B226-B432 : A-A Bs/Ss Ww/O2P Bh/O2P pairing antiparallel cis one_hbond 
+B227-B355 : A-U Ss/O2P C8/O2P pairing 
+B227-B432 : A-A Ww/C8 Ss/O2' pairing parallel cis one_hbond 
+B228-B229 : C-C O2P/Bh adjacent_5p pairing 
+B228-B433 : C-C Ww/O2P Bh/O2P pairing 
+B229-B433 : C-C Hh/O2P pairing 
+B230-B432 : G-A Bs/O2P pairing 
+B233-B235 : A-U Ss/O2P pairing 
+B234-B430 : U-A Ww/Ww pairing antiparallel cis XX 
+B235-B262 : U-A Ww/Ww pairing antiparallel cis XX 
+B235-B277 : U-G O2P/Hh pairing 
+B236-B261 : C-G Ww/Ww pairing antiparallel cis XIX 
+B236-B277 : C-G O2P/Hh pairing 
+B237-B260 : C-G Ww/Ww pairing antiparallel cis XIX 
+B237-B428 : C-A O2'/Bh O2'/Hh pairing 
+B238-B259 : C-G Ww/Ww pairing antiparallel cis XIX 
+B238-B277 : C-G Bh/O2P pairing 
+B239-B258 : C-G Ww/Ww pairing antiparallel cis XIX 
+B239-B277 : C-G Bh/O2P pairing 
+B240-B274 : C-C Hh/O2P pairing 
+B241-B275 : A-C Bh/O2P pairing 
+B242-B255 : G-A O2P/Hh Bs/O2' pairing 
+B244-B249 : A-C Ss/O2P C8/O2P pairing 
+B245-B253 : G-C Ww/Ww pairing antiparallel cis XIX 
+B246-B252 : C-G Ww/Ww pairing antiparallel cis XIX 
+B247-B248 : G-G O2'/Hh adjacent_5p pairing 
+B249-B250 : C-G Wh/Hw adjacent_5p pairing parallel cis one_hbond 
+B253-B254 : C-G O2P/Ww O2P/Bs adjacent_5p inward pairing 
+B254-B255 : G-A C8/O2P adjacent_5p pairing 
+B255-B275 : A-C Hh/O2' C8/O2' pairing 
+B255-B276 : A-U Ww/O2P Bh/O2P pairing 
+B257-B258 : C-G Bh/O2' adjacent_5p pairing 
+B261-B428 : G-A Sw/Ss pairing parallel cis one_hbond 57 
+B261-B429 : G-A Bs/O2P Ss/O2P pairing 
+B262-B263 : A-G O2'/Bs O2'/Ss adjacent_5p pairing 
+B263-B359 : G-G O2P/Ss pairing 
+B263-B360 : G-U Ss/O2P pairing 
+B263-B362 : G-A Hh/O2P pairing 
+B264-B369 : C-U O2P/Ww pairing 
+B265-B427 : A-U Ww/Ww pairing antiparallel cis XX 
+B266-B426 : G-C Ww/Ww pairing antiparallel cis XIX 
+B267-B269 : C-C O2'/Hh pairing 
+B267-B425 : C-G Ww/Ww pairing antiparallel cis XIX 
+B268-B424 : C-G Ww/Ww pairing antiparallel cis XIX 
+B269-B426 : C-C Wh/Bs pairing antiparallel trans one_hbond 
+B270-B2134 : A-A Bh/O2P pairing 
+B271-B366 : G-C Ww/Ww pairing antiparallel cis XIX 
+B271-B2156 : G-G O2'/Hh pairing 
+B272-B365 : A-U Ww/Ww pairing antiparallel cis XX 
+B272-B2136 : A-G O2P/Hh pairing 
+B273-B364 : G-C Ww/Ww pairing antiparallel cis XIX 
+B274-B363 : C-G Ww/Ww pairing antiparallel cis XIX 
+B281-B359 : C-G Ww/Ww pairing antiparallel cis XIX 
+B281-B430 : C-A Bh/O2P pairing 
+B282-B358 : A-U Ww/Ww pairing antiparallel cis XX 
+B282-B370 : A-G O2'/Bs pairing 
+B283-B357 : G-C Ww/Ww pairing antiparallel cis XIX 
+B284-B356 : U-G Ws/Ws pairing antiparallel cis one_hbond 
+B284-B373 : U-U O2P/Hh O2P/Ww pairing 
+B285-B355 : G-U Ws/Ws pairing antiparallel cis one_hbond 
+B286-B354 : U-A Ww/Ww pairing antiparallel cis XX 
+B287-B353 : G-C Ww/Ww pairing antiparallel cis XIX 
+B288-B352 : U-A Ww/Ww pairing antiparallel cis XX 
+B289-B351 : G-C Ww/Ww pairing antiparallel cis XIX 
+B290-B350 : U-G Ws/Ws pairing antiparallel cis one_hbond 
+B291-B349 : G-U Ws/Ws pairing antiparallel cis one_hbond 
+B292-B348 : U-A Ww/Ww pairing antiparallel cis XX 
+B293-B295 : U-G O2'/Hh pairing 
+B293-B347 : U-A Ww/Ww pairing antiparallel cis XX 
+B294-B295 : A-G O2P/C8 adjacent_5p pairing 
+B294-B326 : A-G Ss/Sw pairing parallel cis one_hbond 57 
+B294-B327 : A-G O2'/Ss O2'/C8 pairing 
+B294-B337 : A-C Bh/O2' pairing 
+B295-B343 : G-C Ww/Ww pairing antiparallel cis XIX 
+B296-B342 : U-A Ww/Ww pairing antiparallel cis XX 
+B297-B341 : G-C Ww/Ww pairing antiparallel cis XIX 
+B299-B340 : A-A Ww/O2P pairing 
+B301-B316 : G-C Ww/Ww pairing antiparallel cis XIX 
+B302-B315 : C-G Ww/Ww pairing antiparallel cis XIX 
+B303-B314 : G-C Ww/Ww pairing antiparallel cis XIX 
+B304-B313 : U-G Ws/Ws pairing antiparallel cis one_hbond 
+B305-B312 : C-G Ww/Ww pairing antiparallel cis XIX 
+B306-B311 : U-A Ww/Ww pairing antiparallel cis XX 
+B309-B311 : A-A O2P/Bh pairing 
+B311-B483 : A-A O2P/Hh pairing 
+B317-B319 : G-G O2'/Hh pairing 
+B317-B334 : G-C Ww/Ww pairing antiparallel cis XIX 
+B318-B333 : C-G Ww/Ww pairing antiparallel cis XIX 
+B319-B320 : G-A Ss/O2' adjacent_5p pairing 
+B319-B323 : G-C Ww/Ww pairing antiparallel cis XIX 
+B319-B324 : G-A Ww/O2' Bs/O2' Ss/O2' pairing 
+B320-B325 : A-G C8/O2P pairing 
+B321-B324 : U-A O2P/Ss O2P/C8 pairing 
+B323-B325 : C-G O2'/Ww pairing 
+B325-B329 : G-G Hw/Ww pairing antiparallel trans one_hbond 
+B325-B337 : G-C Ww/Ww pairing antiparallel cis XIX 
+B326-B336 : G-C Ww/Ww pairing antiparallel cis XIX 
+B327-B328 : G-U O2P/Ww Hh/O2' adjacent_5p pairing 
+B327-B335 : G-C Ww/Ww pairing antiparallel cis XIX 
+B329-B335 : G-C O2'/Bh pairing 
+B330-B333 : A-G O2'/Bs pairing 
+B330-B334 : A-C Ss/O2' C8/O2' pairing 
+B335-B341 : C-C O2'/Bh pairing 
+B340-B346 : A-A Ss/O2' pairing 
+B344-B347 : A-A Bh/O2P Hh/O2P pairing 
+B344-B400 : A-G Bh/O2P pairing 
+B346-B466 : A-A O2P/Ww pairing 
+B356-B432 : G-A O2P/Ss pairing 
+B359-B430 : G-A Ww/O2P pairing 
+B362-B363 : A-G O2'/Hh adjacent_5p pairing 
+B362-B427 : A-U Hh/O2' pairing 
+B365-B368 : U-A O2P/Hh O2P/C8 pairing 
+B366-B368 : C-A O2P/Ss pairing 
+B367-B368 : G-A O2'/Ss Ss/O2P adjacent_5p pairing 
+B370-B429 : G-A O2P/Bh O2P/Hh pairing 
+B375-B399 : G-U Ws/Ws pairing antiparallel cis one_hbond 
+B375-B401 : G-A Bs/O2' Bs/O2P pairing 
+B376-B398 : G-C Ww/Ww pairing antiparallel cis XIX 
+B377-B403 : G-U O2P/Hh pairing 
+B378-B396 : C-G Ww/Ww pairing antiparallel cis XIX 
+B379-B395 : G-U Ws/Ws pairing antiparallel cis one_hbond 
+B380-B394 : G-C Ww/Ww pairing antiparallel cis XIX 
+B381-B393 : G-C Ww/Ww pairing antiparallel cis XIX 
+B382-B383 : A-C Ww/O2' adjacent_5p pairing 
+B382-B392 : A-U Ww/Ww pairing antiparallel cis XX 
+B383-B386 : C-G Bh/O2P pairing 
+B383-B387 : C-U Wh/Hw pairing parallel cis one_hbond 103 
+B383-B391 : C-A O2'/Bh pairing 
+B384-B391 : A-A O2P/Ww pairing 
+B388-B406 : G-G Bs/O2P Ss/O2P pairing 
+B406-B421 : G-C Ww/Ww pairing antiparallel cis XIX 
+B407-B420 : G-C Ww/Ww pairing antiparallel cis XIX 
+B408-B419 : G-U Ws/Ws pairing antiparallel cis one_hbond 
+B409-B418 : G-C Ww/Ww pairing antiparallel cis XIX 
+B410-B417 : G-C Ww/Ww pairing antiparallel cis XIX 
+B411-B2406 : G-A O2'/Hh O2'/C8 pairing 
+B411-B2407 : G-A Hh/Wh pairing antiparallel cis one_hbond 60 
+B412-B2405 : A-G O2'/Bs pairing 
+B412-B2406 : A-A O2P/Bh pairing 
+B413-B2405 : C-G O2P/Bs pairing 
+B413-B2410 : C-G Ww/Ww pairing antiparallel cis XIX 
+B414-B2409 : C-G Ww/Ww pairing antiparallel cis XIX 
+B415-B2408 : A-U Ww/Ww pairing antiparallel cis XX 
+B416-B2407 : U-A Ww/Ww pairing antiparallel cis XX 
+B423-B424 : A-G Ww/O2' pairing 
+B425-B2157 : G-G O2'/Hh pairing 
+B428-B429 : A-A Ss/O2P adjacent_5p pairing 
+B435-B436 : C-C O2'/Hh pairing 
+B435-B438 : C-G Ww/O2P pairing 
+B441-B443 : U-A O2P/Bh pairing 
+B446-B447 : G-A O2P/Bh O2P/Hh adjacent_5p upward pairing 
+B446-B479 : G-A Ww/O2' Bs/O2' pairing 
+B447-B472 : A-A Bh/O2' pairing 
+B447-B473 : A-G C8/O2P pairing 
+B447-B479 : A-A O2'/Ss pairing 
+B448-B474 : U-G Hh/O2P pairing 
+B448-B478 : U-A O2'/Ss pairing 
+B449-B452 : A-G O2P/Hh pairing 
+B449-B594 : A-U Ww/O2' Ss/O2' pairing 
+B450-B451 : G-U Ss/O2P adjacent_5p pairing 
+B450-B452 : G-G O2P/Ss O2P/C8 pairing 
+B450-B592 : G-A Hh/Bs pairing antiparallel cis one_hbond 
+B451-B462 : U-C Hw/Hw pairing antiparallel cis one_hbond 
+B453-B454 : A-A Ss/O2P adjacent_5p pairing 
+B453-B475 : A-C Bh/O2P Hh/O2P pairing 
+B453-B476 : A-G Bh/O2P pairing 
+B453-B477 : A-A Hw/Ww pairing antiparallel cis one_hbond 
+B453-B478 : A-A O2P/Ss pairing 
+B455-B655 : C-A O2'/Ss pairing 
+B457-B459 : A-U Ss/O2P C8/O2P pairing 
+B457-B657 : A-U C8/O2P pairing 
+B457-B658 : A-U Bh/O2P Bh/O2P Hh/O2P Hh/O2P pairing 
+B458-B657 : G-U Bs/O2P pairing 
+B458-B658 : G-U Ww/O2P pairing 
+B459-B465 : U-G Ww/O2P pairing 
+B459-B478 : U-A Ws/Ww pairing parallel cis 
+B460-B593 : A-U Bh/O2P Bh/O2P Hh/O2P pairing 
+B461-B465 : C-G Bh/O2P pairing 
+B461-B468 : C-G Ww/Ww pairing antiparallel cis XIX 
+B462-B465 : C-G Bh/O2P pairing 
+B462-B467 : C-G Ww/Ww pairing antiparallel cis XIX 
+B465-B468 : G-G Hh/O2P C8/O2P pairing 
+B465-B479 : G-A O2P/Bh O2P/Bh pairing 
+B470-B471 : A-A Ww/O2' adjacent_5p pairing 
+B471-B472 : A-A Hh/O2P C8/O2P adjacent_5p pairing 
+B471-B676 : A-A Ww/O2P pairing 
+B471-B677 : A-A Ww/C8 Ww/O2P pairing antiparallel trans one_hbond 
+B471-B1250 : A-G Hh/O2' pairing 
+B472-B473 : A-G O2P/Hh adjacent_5p upward pairing 
+B475-B477 : C-A O2P/Bh pairing 
+B477-B478 : A-A Ss/O2P C8/O2P adjacent_5p pairing 
+B480-B514 : A-A O2'/Bh pairing 
+B480-B670 : A-A O2P/C8 pairing 
+B484-B496 : C-G Ww/Ww pairing antiparallel cis XIX 
+B485-B495 : C-G Ww/Ww pairing antiparallel cis XIX 
+B486-B494 : C-G Ww/Ww pairing antiparallel cis XIX 
+B487-B491 : C-G Hw/Wh pairing antiparallel cis one_hbond 123 
+B487-B493 : C-G Ww/Ww pairing antiparallel cis XIX 
+B487-B505 : C-A O2'/Hh O2'/C8 pairing 
+B487-B509 : C-C O2P/Bh pairing 
+B488-B510 : G-C Ss/Wh O2'/Bh pairing parallel trans one_hbond 119 
+B489-B509 : G-C O2P/Bh pairing 
+B490-B491 : C-G O2P/Hh adjacent_5p pairing 
+B490-B510 : C-C Bh/O2' pairing 
+B491-B492 : G-A Bs/O2P Ss/O2P adjacent_5p pairing 
+B491-B493 : G-G Ww/Bh pairing parallel cis 113 
+B494-B499 : G-U Sw/Bh pairing parallel cis one_hbond 92 
+B494-B505 : G-A Bs/O2P pairing 
+B495-B505 : G-A Bs/O2P Ss/O2P pairing 
+B500-B501 : G-A C8/O2' adjacent_5p pairing 
+B500-B504 : G-A Ss/O2P C8/O2P pairing 
+B500-B505 : G-A O2'/C8 Hh/O2P pairing 
+B501-B502 : A-A O2P/Hh O2P/C8 adjacent_5p pairing 
+B501-B505 : A-A Ss/O2P pairing 
+B502-B503 : A-A C8/O2P adjacent_5p pairing 
+B506-B1244 : G-A Bs/O2' pairing 
+B507-B517 : A-C Ss/O2' pairing 
+B507-B518 : A-G Hh/O2' pairing 
+B507-B1245 : A-G Hh/O2P C8/O2P pairing 
+B507-B1246 : A-A Ss/O2P C8/O2P pairing 
+B508-B518 : A-G O2P/Bs O2P/Ss pairing 
+B512-B514 : G-A Bs/O2P Ss/O2P pairing 
+B512-B515 : G-A Ww/O2P Bs/O2P pairing 
+B512-B516 : G-C Hw/Hh pairing parallel trans 121 
+B514-B669 : A-G O2P/Bs O2P/Ss pairing 
+B514-B670 : A-A Ss/O2' pairing 
+B518-B1247 : G-A O2P/Bh O2P/Hh pairing 
+B524-B586 : G-A O2P/Ss pairing 
+B524-B809 : G-G Bs/O2' pairing 
+B526-B811 : A-U O2P/Hh O2P/Ww pairing 
+B527-B1189 : C-A O2'/Bh inward pairing 
+B528-B530 : A-G Hh/O2P outward pairing 
+B528-B565 : A-C Bh/O2P pairing 
+B528-B1189 : A-A O2P/Hh pairing 
+B529-B942 : A-G Ww/O2P Bh/O2P pairing 
+B529-B947 : A-A Hh/O2' C8/O2' pairing 
+B529-B973 : A-A Ss/O2P Hh/O2' pairing 
+B530-B564 : G-C O2P/Bh pairing 
+B533-B560 : G-C Ww/Ww pairing antiparallel cis XIX 
+B533-B561 : G-G Bs/O2' pairing 
+B533-B562 : G-U Bs/O2P pairing 
+B534-B559 : U-G Ws/Ws pairing antiparallel cis one_hbond 
+B535-B558 : G-U Ws/Ws pairing antiparallel cis one_hbond 
+B536-B557 : G-C Ww/Ww pairing antiparallel cis XIX 
+B536-B949 : G-G O2P/Bs pairing 
+B536-B950 : G-G O2P/Ss pairing 
+B538-B539 : A-G O2'/C8 adjacent_5p pairing 
+B539-B554 : G-U Ws/Ws pairing antiparallel cis one_hbond 
+B540-B553 : C-G Ww/Ww pairing antiparallel cis XIX 
+B541-B552 : A-U Ww/Ww pairing antiparallel cis XX 
+B542-B551 : C-G Ww/Ww pairing antiparallel cis XIX 
+B543-B550 : G-C Ww/Ww pairing antiparallel cis XIX 
+B544-B549 : C-G Ww/Ww pairing antiparallel cis XIX 
+B563-B988 : A-A Wh/Ww pairing antiparallel cis one_hbond 37 
+B564-B565 : C-C Ww/O2P adjacent_5p pairing 
+B566-B836 : U-G Ww/O2P pairing 
+B566-B837 : U-C Hh/O2P pairing 
+B566-B1189 : U-A O2P/Ss pairing 
+B568-B569 : U-U Hh/O2P Ww/O2P adjacent_5p pairing 
+B568-B832 : U-U Ww/O2' pairing 
+B569-B2042 : U-A O2P/Ww O2P/Bh pairing 
+B570-B572 : G-A C8/Ss C8/O2' pairing antiparallel cis one_hbond 
+B570-B573 : G-U Ww/O2' pairing 
+B570-B2043 : G-C Bs/O2P Ss/O2P downward pairing 
+B570-B2044 : G-C Ww/O2P Bs/O2P pairing 
+B570-B2045 : G-C Hw/Hw pairing parallel trans one_hbond 121 
+B571-B573 : U-U Hh/O2P pairing 
+B571-B2047 : U-C Hw/Hw pairing parallel cis one_hbond 101 
+B572-B2623 : A-G Bh/Hh pairing parallel trans one_hbond 61 
+B573-B2045 : U-C Hh/O2P pairing 
+B573-B2046 : U-G Ww/O2P pairing 
+B574-B2039 : A-U Ss/O2P Hh/O2P C8/O2P pairing 
+B574-B2040 : A-G Ss/O2P C8/O2P pairing 
+B574-B2042 : A-A Hh/O2P pairing 
+B575-B2625 : A-G Bh/O2' pairing 
+B577-B579 : G-G Hh/O2' pairing 
+B577-B2018 : G-G Bs/O2' pairing 
+B579-B1261 : G-C Ww/Ww pairing antiparallel cis XIX 
+B580-B1260 : U-A Ww/Ww pairing antiparallel cis XX 
+B581-B1259 : C-G Ww/Ww pairing antiparallel cis XIX 
+B582-B1258 : A-U Ww/Ww pairing antiparallel cis XX 
+B583-B1257 : G-C Ww/Ww pairing antiparallel cis XIX 
+B584-B585 : C-G O2P/Ss adjacent_5p pairing 
+B584-B1256 : C-G Ww/Ww pairing antiparallel cis XIX 
+B585-B1195 : G-G C8/O2' pairing 
+B586-B1196 : A-C O2P/Hh pairing 
+B589-B668 : U-A Ww/Ww pairing antiparallel cis XX 
+B590-B667 : A-U Ww/Ww pairing antiparallel cis XX 
+B591-B666 : U-A Ww/Ww pairing antiparallel cis XX 
+B592-B665 : A-U Ww/Ww pairing antiparallel cis XX 
+B593-B664 : U-G Ws/Ws pairing antiparallel cis one_hbond 
+B594-B663 : U-G Ws/Ws pairing antiparallel cis one_hbond 
+B595-B662 : C-G Ww/Ww pairing antiparallel cis XIX 
+B596-B661 : U-A Ww/Ww pairing antiparallel cis XX 
+B597-B660 : G-C Ww/Ww pairing antiparallel cis XIX 
+B598-B659 : U-G Ws/Ws pairing antiparallel cis one_hbond 
+B599-B658 : A-U Ww/Ww pairing antiparallel cis XX 
+B600-B657 : G-U Ws/Ws pairing antiparallel cis one_hbond 
+B601-B656 : C-G Ww/Ww pairing antiparallel cis XIX 
+B603-B658 : A-U Bh/O2' Hh/O2' pairing 
+B604-B624 : G-C Ww/Ww pairing antiparallel cis XIX 
+B605-B623 : G-C Ww/Ww pairing antiparallel cis XIX 
+B606-B622 : U-G Ws/Ws pairing antiparallel cis one_hbond 
+B607-B621 : U-A Ww/Ww pairing antiparallel cis XX 
+B608-B610 : A-C O2'/Bh pairing 
+B608-B616 : A-A Bh/O2P pairing 
+B608-B618 : A-G C8/Hw pairing parallel trans one_hbond 
+B610-B618 : C-G Ww/Ww pairing antiparallel cis XIX 
+B611-B617 : C-G Ww/Ww pairing antiparallel cis XIX 
+B612-B613 : G-A O2'/Hh adjacent_5p pairing 
+B619-B621 : G-A O2'/Hh pairing 
+B628-B635 : G-C Ww/Ww pairing antiparallel cis XIX 
+B629-B634 : G-C Ww/Ww pairing antiparallel cis XIX 
+B630-B631 : G-A O2'/Hh adjacent_5p pairing 
+B633-B634 : A-C O2P/Hh adjacent_5p pairing 
+B635-B637 : C-A O2P/Hh pairing 
+B637-B651 : A-G O2P/Hh pairing 
+B638-B650 : G-C Ww/Ww pairing antiparallel cis XIX 
+B639-B649 : U-G Ws/Ws pairing antiparallel cis one_hbond 
+B640-B648 : C-G Ww/Ww pairing antiparallel cis XIX 
+B641-B647 : U-G Ws/Ws pairing antiparallel cis one_hbond 
+B645-B647 : C-G Ww/O2' pairing 
+B646-B654 : U-A O2P/Hh pairing 
+B648-B653 : G-U Hh/O2P pairing 
+B650-B652 : C-U Bh/O2P pairing 
+B651-B652 : G-U Ws/Hw adjacent_5p pairing antiparallel cis one_hbond 
+B654-B655 : A-A Bs/Hh adjacent_5p pairing parallel cis one_hbond 
+B669-B670 : G-A Ss/O2P C8/O2P adjacent_5p pairing 
+B670-B671 : A-C Ww/O2P Ss/O2P pairing 
+B670-B672 : A-C Ww/O2P Ss/O2P pairing 
+B671-B809 : C-G Ww/Ww pairing antiparallel cis XIX 
+B672-B808 : C-G Ww/Ww pairing antiparallel cis XIX 
+B672-B1251 : C-C O2P/Ww pairing 
+B673-B1249 : C-U Ww/O2P pairing 
+B674-B1247 : G-A Bs/O2' pairing 
+B674-B1248 : G-G Bs/O2P pairing 
+B675-B801 : A-G O2P/Ss pairing 
+B676-B1250 : A-G O2P/C8 pairing 
+B678-B799 : C-G Ww/Ww pairing antiparallel cis XIX 
+B679-B798 : C-G Ww/Ww pairing antiparallel cis XIX 
+B680-B797 : C-G Ww/Ww pairing antiparallel cis XIX 
+B681-B796 : G-C Ww/Ww pairing antiparallel cis XIX 
+B682-B795 : G-C Ww/Ww pairing antiparallel cis XIX 
+B683-B684 : U-G O2P/Ww adjacent_5p pairing 
+B683-B777 : U-G Ww/O2P pairing 
+B683-B794 : U-A Ww/Ww pairing antiparallel cis XX 
+B684-B788 : G-A O2'/Ss pairing 
+B685-B686 : A-U Ss/O2P C8/O2P adjacent_5p pairing 
+B685-B788 : A-A O2P/Ss pairing 
+B686-B687 : U-C O2P/Bh adjacent_5p pairing 
+B687-B775 : C-G Ww/Ww pairing antiparallel cis XIX 
+B687-B788 : C-A Bh/O2P pairing 
+B688-B774 : U-G Ws/Ws pairing antiparallel cis one_hbond 
+B689-B773 : A-U Ww/Ww pairing antiparallel cis XX 
+B690-B772 : G-C Ww/Ww pairing antiparallel cis XIX 
+B691-B771 : C-G Ww/Ww pairing antiparallel cis XIX 
+B692-B770 : C-G Ww/Ww pairing antiparallel cis XIX 
+B693-B769 : A-U Ww/Ww pairing antiparallel cis XX 
+B694-B768 : U-G Ws/Ws pairing antiparallel cis one_hbond 
+B695-B767 : G-U Ws/Ws pairing antiparallel cis one_hbond 
+B696-B766 : G-U Ws/Ws pairing antiparallel cis one_hbond 
+B697-B765 : G-C Ww/Ww pairing antiparallel cis XIX 
+B698-B763 : C-G Ww/Ww pairing antiparallel cis XIX 
+B698-B1948 : C-G Bh/O2' pairing 
+B698-B1964 : C-G O2P/Hh pairing 
+B699-B734 : A-A Wh/Ww pairing parallel cis one_hbond 
+B699-B1964 : A-G O2P/Hh pairing 
+B700-B732 : G-C Ww/Ww pairing antiparallel cis XIX 
+B701-B731 : G-C Ww/Ww pairing antiparallel cis XIX 
+B702-B730 : U-A Ww/Ww pairing antiparallel cis XX 
+B703-B704 : U-G Ws/Ws adjacent_5p pairing parallel cis one_hbond 87 
+B703-B726 : U-G Ss/Ws pairing parallel trans one_hbond 
+B703-B729 : U-G Ws/Ws pairing antiparallel cis one_hbond 
+B704-B705 : G-A O2'/Hh adjacent_5p pairing 
+B705-B725 : A-G Bh/O2P Bh/O2' Hh/O2P pairing 
+B706-B707 : A-G O2'/Hh adjacent_5p pairing 
+B706-B727 : A-A Bh/O2' downward pairing 
+B707-B724 : G-U Ws/Ws pairing antiparallel cis one_hbond 
+B708-B723 : G-C Ww/Ww pairing antiparallel cis XIX 
+B709-B722 : U-A Ww/Ww pairing antiparallel cis XX 
+B710-B721 : U-A Ww/Ww pairing antiparallel cis XX 
+B711-B720 : G-U Ws/Ws pairing antiparallel cis one_hbond 
+B712-B713 : G-G O2P/Hh adjacent_5p pairing 
+B712-B719 : G-C Ww/Ww pairing antiparallel cis XIX 
+B725-B727 : G-A O2'/Ww pairing 
+B726-B727 : G-A O2P/Ss O2P/C8 adjacent_5p pairing 
+B733-B760 : G-G Bs/O2' pairing 
+B734-B760 : A-G O2'/Bs pairing 
+B736-B760 : C-G Ww/Ww pairing antiparallel cis XIX 
+B737-B759 : C-G Ww/Ww pairing antiparallel cis XIX 
+B738-B758 : G-C Ww/Ww pairing antiparallel cis XIX 
+B740-B757 : C-G Ww/Ww pairing antiparallel cis XIX 
+B741-B756 : U-A Ww/Ww pairing antiparallel cis XX 
+B741-B1951 : U-U Hh/O2P pairing 
+B742-B755 : A-U Ww/Ww pairing antiparallel cis XX 
+B743-B754 : A-U Ww/Ww pairing antiparallel cis XX 
+B744-B753 : U-A Ww/Ww pairing antiparallel cis XX 
+B749-B752 : A-A O2P/Bh pairing 
+B749-B2614 : A-A Ss/Wh O2'/Ww pairing antiparallel cis one_hbond 40 
+B757-B1951 : G-U Bs/O2P pairing 
+B761-B762 : A-U Ww/Ww adjacent_5p pairing antiparallel cis XX 
+B764-B1948 : A-G Hw/Ss Bh/O2' pairing parallel trans one_hbond 
+B764-B1959 : A-G Ww/Sw pairing parallel cis one_hbond 
+B772-B784 : C-G O2'/Bs O2'/Ss pairing 
+B774-B787 : G-C O2P/Bh pairing 
+B775-B777 : G-G O2P/C8 pairing 
+B777-B787 : G-C Ww/Ww pairing antiparallel cis XIX 
+B777-B788 : G-A Bs/O2' Ss/O2' pairing 
+B777-B789 : G-A Bs/O2P pairing 
+B777-B794 : G-A O2P/Ww pairing 
+B778-B779 : G-U Hh/O2' adjacent_5p pairing 
+B778-B786 : G-C Ww/Ww pairing antiparallel cis XIX 
+B778-B789 : G-A O2'/Hh O2'/C8 C8/O2P pairing 
+B780-B786 : G-C O2'/Bh pairing 
+B780-B787 : G-C O2'/Bh pairing 
+B782-B783 : A-A O2P/Bh adjacent_5p pairing 
+B783-B784 : A-G Hh/O2P C8/O2P adjacent_5p pairing 
+B788-B790 : A-U Ww/Hh pairing parallel cis one_hbond 
+B792-B794 : A-A Hh/Hw Ww/O2P pairing parallel trans one_hbond 
+B796-B1253 : C-A O2P/Ww pairing 
+B797-B1253 : G-A O2P/C8 O2P/Hh pairing 
+B798-B801 : G-G O2P/C8 pairing 
+B799-B800 : G-A O2P/C8 adjacent_5p pairing 
+B800-B1200 : A-C Hw/Ss Bh/O2' pairing parallel cis one_hbond 
+B802-B1199 : A-U Bh/O2' pairing 
+B803-B1254 : U-A O2P/Hh O2P/C8 pairing 
+B804-B807 : A-U O2P/Ww pairing 
+B804-B1254 : A-A O2'/Bh O2'/Hh O2P/Bh pairing 
+B805-B1252 : G-G Ss/O2P pairing 
+B805-B1254 : G-A O2P/Hh O2P/C8 pairing 
+B806-B808 : C-G O2P/Ss pairing 
+B810-B1197 : U-G Hh/Hh pairing parallel trans 
+B812-B1195 : C-G Ww/Ww pairing antiparallel cis XIX 
+B813-B1194 : U-A Ww/Ww pairing antiparallel cis XX 
+B814-B1193 : C-G Ww/Ww pairing antiparallel cis XIX 
+B815-B1192 : C-G Ww/Ww pairing antiparallel cis XIX 
+B816-B1191 : C-G Ww/Ww pairing antiparallel cis XIX 
+B817-B1190 : C-G Ww/Ww pairing antiparallel cis XIX 
+B818-B819 : G-A O2'/Hh adjacent_5p pairing 
+B821-B822 : A-G O2'/Hh adjacent_5p pairing 
+B821-B2628 : A-C Ss/Hw Hh/O2P pairing antiparallel trans one_hbond 72 
+B822-B835 : G-C Ww/Ww pairing antiparallel cis XIX 
+B823-B834 : C-G Ww/Ww pairing antiparallel cis XIX 
+B823-B1154 : C-G O2'/Bs pairing 
+B824-B833 : U-A Ww/Ww pairing antiparallel cis XX 
+B825-B832 : A-U Ww/Ww pairing antiparallel cis XX 
+B826-B831 : U-G Ws/Ws pairing antiparallel cis one_hbond 
+B833-B977 : A-G Ss/O2' pairing 
+B836-B838 : G-C Bs/O2' pairing 
+B837-B961 : C-C Bh/Ww pairing parallel trans 134 
+B837-B976 : C-G O2'/Hh pairing 
+B838-B940 : C-G Ww/Ww pairing antiparallel cis XIX 
+B839-B939 : U-G Ws/Ws pairing antiparallel cis one_hbond 
+B839-B961 : U-C O2P/Bh pairing 
+B840-B938 : C-G Ww/Ww pairing antiparallel cis XIX 
+B841-B932 : G-U O2P/Ww pairing 
+B841-B937 : G-C Ww/Ww pairing antiparallel cis XIX 
+B842-B936 : U-A Ww/Ww pairing antiparallel cis XX 
+B843-B935 : G-C Ww/Ww pairing antiparallel cis XIX 
+B844-B934 : A-U Ww/Ww pairing antiparallel cis XX 
+B845-B848 : A-C O2P/Bh pairing 
+B845-B849 : A-A Hh/Hh pairing parallel trans II 
+B846-B848 : U-C Ww/O2P pairing 
+B848-B930 : C-G Ww/Ww pairing antiparallel cis XIX 
+B849-B929 : A-U Ww/Ww pairing antiparallel cis XX 
+B850-B928 : U-A Ww/Ww pairing antiparallel cis XX 
+B851-B926 : C-G Ww/Ww pairing antiparallel cis XIX 
+B852-B925 : U-A Ww/Ww pairing antiparallel cis XX 
+B853-B924 : C-G Ww/Ww pairing antiparallel cis XIX 
+B854-B923 : C-G Ww/Ww pairing antiparallel cis XIX 
+B855-B922 : G-C Ww/Ww pairing antiparallel cis XIX 
+B856-B858 : G-G O2P/Hh pairing 
+B856-B921 : G-C Ww/Ww pairing antiparallel cis XIX 
+B857-B858 : G-G O2P/C8 O2'/Hh adjacent_5p pairing 
+B857-B912 : G-C O2'/Ww pairing 
+B858-B859 : G-G O2P/Ss O2P/Hh O2P/C8 adjacent_5p pairing 
+B858-B912 : G-C O2P/Bh pairing 
+B858-B919 : G-U Ws/Ws pairing antiparallel cis one_hbond 
+B859-B861 : G-A Ss/Hw pairing parallel cis one_hbond 
+B859-B912 : G-C Ss/Hw pairing parallel trans one_hbond 
+B860-B917 : U-A Ww/Ww pairing antiparallel cis XX 
+B861-B911 : A-A C8/Ss pairing antiparallel cis one_hbond 
+B862-B915 : G-C Ww/Ww pairing antiparallel cis XIX 
+B863-B864 : A-G Ss/O2P Hh/O2' adjacent_5p pairing 
+B864-B908 : G-C Hh/O2P pairing 
+B864-B909 : G-A Ww/O2P pairing 
+B866-B915 : A-C O2'/Hh Ss/O2' pairing 
+B868-B909 : U-A Ww/Ww pairing antiparallel cis XX 
+B869-B908 : G-C Ww/Ww pairing antiparallel cis XIX 
+B870-B907 : U-G Ws/Ws pairing antiparallel cis one_hbond 
+B872-B905 : U-A Ww/Ww pairing antiparallel cis XX 
+B873-B904 : C-G Ww/Ww pairing antiparallel cis XIX 
+B874-B903 : G-C Ww/Ww pairing antiparallel cis XIX 
+B875-B899 : G-A Bs/O2' pairing 
+B875-B902 : G-C Ww/Ww pairing antiparallel cis XIX 
+B879-B898 : G-C Ww/Ww pairing antiparallel cis XIX 
+B880-B897 : G-C Ww/Ww pairing antiparallel cis XIX 
+B881-B895 : G-U Ws/Ws pairing antiparallel cis one_hbond 
+B882-B894 : G-U Ws/Ws pairing antiparallel cis one_hbond 
+B883-B893 : G-C Ww/Ww pairing antiparallel cis XIX 
+B884-B892 : U-A Ww/Ww pairing antiparallel cis XX 
+B885-B891 : C-G Ww/Ww pairing antiparallel cis XIX 
+B886-B890 : A-C Wh/Ws pairing antiparallel trans one_hbond 78 
+B895-B896 : U-A O2'/Hh O2'/C8 adjacent_5p pairing 
+B896-B897 : A-C O2'/Hh adjacent_5p pairing 
+B898-B900 : C-A Hh/O2P Ww/O2P pairing 
+B900-B902 : A-C O2'/Bh pairing 
+B905-B906 : A-U O2P/Ww adjacent_5p pairing 
+B906-B907 : U-G O2'/Hh adjacent_5p pairing 
+B909-B910 : A-A O2P/Hh adjacent_5p pairing 
+B914-B916 : G-G Sw/Ss Ss/O2' pairing parallel cis one_hbond 
+B914-B917 : G-A O2P/Bh O2'/Hh C8/O2P pairing 
+B916-B2595 : G-G Hh/O2P pairing 
+B918-B919 : A-U O2P/Hh adjacent_5p pairing 
+B918-B2597 : A-G Ss/O2P pairing 
+B920-B921 : A-C O2P/Hh Hh/O2' adjacent_5p pairing 
+B920-B2597 : A-G Bs/Hw O2'/C8 pairing parallel cis one_hbond 
+B927-B928 : A-A O2'/Hh adjacent_5p pairing 
+B929-B931 : U-U Hh/Hw pairing parallel cis one_hbond 
+B933-B935 : A-C Hh/O2P pairing 
+B933-B936 : A-A Bh/O2P pairing 
+B941-B973 : A-A O2'/Hh O2'/C8 pairing 
+B942-B943 : G-A O2'/Ww adjacent_5p pairing 
+B942-B971 : G-G O2P/Bs pairing 
+B946-B971 : C-G Ww/Ww pairing antiparallel cis XIX 
+B947-B970 : A-U Ww/Ww pairing antiparallel cis XX 
+B947-B972 : A-A Ss/Hw pairing parallel cis one_hbond 
+B948-B969 : C-G Ww/Ww pairing antiparallel cis XIX 
+B949-B968 : G-C Ww/Ww pairing antiparallel cis XIX 
+B950-B967 : G-U Ws/Ws pairing antiparallel cis one_hbond 
+B951-B966 : C-G Ww/Ww pairing antiparallel cis XIX 
+B952-B965 : G-C Ww/Ww pairing antiparallel cis XIX 
+B953-B964 : G-C Ww/Ww pairing antiparallel cis XIX 
+B954-B963 : G-U Ws/Ws pairing antiparallel cis one_hbond 
+B955-B956 : U-G O2P/Hh adjacent_5p upward pairing 
+B955-B962 : U-G Ws/Ws pairing antiparallel cis one_hbond 
+B957-B959 : C-A Ww/Bh pairing parallel trans one_hbond 
+B971-B972 : G-A O2'/Ss pairing 
+B974-B975 : G-A Ss/O2P adjacent_5p pairing 
+B976-B987 : G-C Ww/Ww pairing antiparallel cis XIX 
+B977-B979 : G-A O2P/Bh pairing 
+B977-B986 : G-C Ww/Ww pairing antiparallel cis XIX 
+B978-B979 : G-A O2P/Hh adjacent_5p pairing 
+B978-B985 : G-C Ww/Ww pairing antiparallel cis XIX 
+B979-B980 : A-A O2'/Ww adjacent_5p pairing 
+B979-B982 : A-C O2'/Bh Ww/O2P Ss/O2P pairing 
+B980-B982 : A-C Ww/Hw pairing antiparallel cis one_hbond 
+B983-B984 : A-A O2P/Hh adjacent_5p upward pairing 
+B990-B992 : A-C Hh/O2P C8/O2P pairing 
+B990-B993 : A-G Bh/O2P pairing 
+B990-B1157 : A-G C8/O2P pairing 
+B991-B1163 : C-G Ww/Ww pairing antiparallel cis XIX 
+B992-B1162 : C-G Ww/Ww pairing antiparallel cis XIX 
+B993-B1161 : G-C Ww/Ww pairing antiparallel cis XIX 
+B994-B1160 : C-G Ww/Ww pairing antiparallel cis XIX 
+B996-B1159 : A-U Ww/Ww pairing antiparallel cis XX 
+B997-B1158 : G-C Ww/Ww pairing antiparallel cis XIX 
+B998-B1157 : C-G Ww/Ww pairing antiparallel cis XIX 
+B999-B1156 : U-A Ww/Ww pairing antiparallel cis XX 
+B1000-B1150 : A-C Hh/Hh Hh/O2P pairing parallel cis one_hbond 
+B1002-B1153 : G-C Ww/Ww pairing antiparallel cis XIX 
+B1003-B1008 : G-A Bs/O2' pairing 
+B1003-B1009 : G-A Bs/O2P pairing 
+B1003-B1152 : G-C Ww/Ww pairing antiparallel cis XIX 
+B1004-B1010 : U-A O2P/Ww O2P/Bh pairing 
+B1004-B1151 : U-A Ww/Ww pairing antiparallel cis XX 
+B1005-B1010 : C-A O2P/Hh pairing 
+B1005-B1138 : C-G Ww/Ww pairing antiparallel cis XIX 
+B1006-B1137 : C-G Ww/Ww pairing antiparallel cis XIX 
+B1007-B1009 : C-A O2'/Bh O2'/Hh pairing 
+B1009-B1011 : A-G O2'/Hh O2'/C8 pairing 
+B1009-B1151 : A-A Bs/Ss pairing parallel trans one_hbond 
+B1011-B1150 : G-C Ww/Ww pairing antiparallel cis XIX 
+B1013-B1149 : C-G Ww/Ww pairing antiparallel cis XIX 
+B1014-B1148 : A-U Ww/Ww pairing antiparallel cis XX 
+B1015-B1147 : U-A Ww/Ww pairing antiparallel cis XX 
+B1016-B1146 : G-C Ww/Ww pairing antiparallel cis XIX 
+B1016-B2753 : G-A O2P/C8 O2P/Hh pairing 
+B1016-B2754 : G-U O2'/Ww pairing 
+B1017-B1145 : G-C Ww/Ww pairing antiparallel cis XIX 
+B1017-B2753 : G-A O2P/Hh O2P/C8 pairing 
+B1018-B1144 : U-A Ww/Ww pairing antiparallel cis XX 
+B1019-B1027 : U-A O2'/Hh pairing 
+B1019-B1028 : U-A Ww/O2P pairing 
+B1019-B1143 : U-A Ww/Ww pairing antiparallel cis XX 
+B1020-B1027 : A-A O2P/Hh pairing 
+B1020-B1133 : A-A Bh/O2P Hh/O2P pairing 
+B1020-B2752 : A-C Hh/Bh pairing antiparallel trans one_hbond 
+B1021-B1022 : A-G Ss/O2P adjacent_5p downward pairing 
+B1021-B1133 : A-A O2P/C8 O2'/Bh pairing 
+B1022-B2462 : G-C Hh/O2P pairing 
+B1023-B2465 : U-C Ss/Hw O2P/Bh O2'/Bh pairing parallel trans one_hbond 
+B1023-B2482 : U-A Ww/O2' pairing 
+B1023-B2484 : U-G Hh/Hh pairing antiparallel trans 
+B1024-B2467 : G-C Hh/O2P pairing 
+B1024-B2469 : G-A O2'/Ww O2'/Ss pairing 
+B1024-B2470 : G-G O2'/Hh pairing 
+B1025-B2470 : G-G O2P/Hh pairing 
+B1025-B2478 : G-A Ss/O2P pairing 
+B1026-B1134 : G-A O2'/Bh pairing 
+B1027-B1134 : A-A O2P/Ss O2'/Bh O2'/Hh pairing 
+B1028-B1143 : A-A O2P/Ww pairing 
+B1028-B1144 : A-A O2'/Ss Ss/O2' pairing 
+B1030-B1124 : C-G Ww/Ww pairing antiparallel cis XIX 
+B1030-B1126 : C-A Bh/O2P pairing 
+B1031-B1123 : G-C Ww/Ww pairing antiparallel cis XIX 
+B1032-B1034 : A-G O2'/Hh pairing 
+B1032-B2751 : A-G O2P/Ww pairing 
+B1033-B1034 : U-G O2'/Hh O2'/C8 adjacent_5p pairing 
+B1033-B1035 : U-U Hh/O2P pairing 
+B1033-B1127 : U-A O2P/Ww pairing 
+B1033-B2750 : U-A O2P/Hh O2P/Bh pairing 
+B1033-B2751 : U-G O2P/Hh pairing 
+B1034-B1121 : G-C Ww/Ww pairing antiparallel cis XIX 
+B1035-B1120 : U-G Ws/Ws pairing antiparallel cis one_hbond 
+B1036-B1119 : G-U Ws/Ws pairing antiparallel cis one_hbond 
+B1037-B1118 : G-C Ww/Ww pairing antiparallel cis XIX 
+B1038-B1039 : G-A C8/O2' adjacent_5p pairing 
+B1038-B1117 : G-C Ww/Ww pairing antiparallel cis XIX 
+B1039-B1045 : A-C Bh/O2' pairing 
+B1040-B1041 : A-G O2'/Hh adjacent_5p pairing 
+B1040-B1045 : A-C Bh/O2' pairing 
+B1040-B1048 : A-A O2P/Ss pairing 
+B1040-B1050 : A-A C8/O2' pairing 
+B1041-B1114 : G-C Ww/Ww pairing antiparallel cis XIX 
+B1041-B1115 : G-G Sw/Hh pairing antiparallel trans one_hbond 108 
+B1042-B1113 : G-U Ws/Ws pairing antiparallel cis one_hbond 
+B1043-B1112 : C-G Ww/Ww pairing antiparallel cis XIX 
+B1046-B1111 : A-A O2P/Ss pairing 
+B1047-B1052 : G-C O2P/Bh Hh/O2P pairing 
+B1047-B1053 : G-C O2P/Bh Hh/O2P pairing 
+B1050-B1051 : A-G O2P/Hh adjacent_5p pairing 
+B1050-B1052 : A-C O2P/Bh pairing 
+B1051-B1108 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+B1052-B1107 : C-G Ww/Ww pairing antiparallel cis XIX 
+B1053-B1106 : C-G Ww/Ww pairing antiparallel cis XIX 
+B1054-B1105 : A-U Ww/Ww pairing antiparallel cis XX 
+B1055-B1085 : G-A Ss/Ss O2'/Ww pairing parallel trans 57 
+B1055-B1104 : G-C Ww/Ww pairing antiparallel cis XIX 
+B1056-B1102 : G-C Ww/O2P pairing 
+B1056-B1103 : G-A Ss/Hh O2'/Bh pairing antiparallel trans XI 
+B1057-B1081 : A-U Ww/Ww pairing antiparallel cis XX 
+B1057-B1087 : A-G Bh/O2P pairing 
+B1058-B1080 : U-A Ww/Ww pairing antiparallel cis XX 
+B1059-B1079 : G-C Ww/Ww pairing antiparallel cis XIX 
+B1060-B1088 : U-A Ww/Hh pairing parallel cis XXIII 
+B1062-B1076 : G-C Ww/Ww pairing antiparallel cis XIX 
+B1063-B1075 : G-C Ww/Ww pairing antiparallel cis XIX 
+B1064-B1074 : C-G Ww/Ww pairing antiparallel cis XIX 
+B1065-B1069 : U-A Ww/O2' pairing 
+B1065-B1073 : U-A Ws/Wh pairing antiparallel trans one_hbond 46 
+B1066-B1068 : U-G O2'/Hh pairing 
+B1066-B1069 : U-A Ss/C8 pairing antiparallel trans one_hbond 
+B1068-B1095 : G-A Bs/O2' pairing 
+B1070-B1097 : A-U Ww/O2' pairing 
+B1071-B1089 : G-A Bs/O2' Ss/O2' downward pairing 
+B1071-B1091 : G-G Ww/Hh pairing parallel cis VI 
+B1071-B1100 : G-C Wh/Wh pairing antiparallel trans one_hbond 
+B1072-B1092 : C-C Ww/Hh pairing parallel cis 
+B1077-B1088 : A-A Ww/O2' pairing 
+B1082-B1086 : U-A Ww/Ww pairing parallel trans XXI 
+B1083-B1085 : U-A O2'/Hh pairing 
+B1084-B1105 : A-U Bs/Ss Ss/O2' pairing antiparallel cis one_hbond 
+B1086-B1103 : A-A O2'/Ww pairing 
+B1087-B1102 : G-C Ww/Ww pairing antiparallel cis 122 
+B1090-B1101 : A-U Ww/Ww pairing antiparallel cis XX 
+B1091-B1100 : G-C Ww/Ww pairing antiparallel cis XIX 
+B1092-B1099 : C-G Ww/Ww pairing antiparallel cis XIX 
+B1093-B1098 : G-A Ss/Hh O2'/Bh pairing antiparallel trans XI 
+B1094-B1096 : U-A O2'/Bh O2'/Hh pairing 
+B1094-B1097 : U-U Ww/O2P pairing 
+B1103-B1104 : A-C O2P/Bh adjacent_5p upward pairing 
+B1115-B2748 : G-A Ww/O2' pairing 
+B1115-B2749 : G-A Bs/O2P pairing 
+B1117-B1128 : C-G O2P/Bs pairing 
+B1117-B2750 : C-A O2P/Ss pairing 
+B1117-B2751 : C-G O2P/Hh O2P/C8 pairing 
+B1118-B2750 : C-A O2P/Ww pairing 
+B1119-B1127 : U-A O2P/Bh pairing 
+B1123-B1126 : C-A Bh/Hh pairing parallel trans one_hbond 69 
+B1124-B1126 : G-A Wh/C8 pairing parallel trans one_hbond 
+B1127-B2750 : A-A Ww/Wh pairing parallel cis one_hbond 
+B1128-B2751 : G-G O2P/Bs O2P/Ss Bs/O2P pairing 
+B1129-B1130 : A-U Ss/O2P C8/O2P adjacent_5p pairing 
+B1130-B2749 : U-A Ww/O2' pairing 
+B1132-B2753 : U-A O2P/Ss pairing 
+B1133-B1142 : A-A O2'/Ss pairing 
+B1133-B1143 : A-A O2'/Hh pairing 
+B1133-B2463 : A-C Bh/O2P pairing 
+B1133-B2752 : A-C O2P/Bh pairing 
+B1134-B1140 : A-C Ss/O2' pairing 
+B1134-B1143 : A-A O2P/Ss O2P/C8 pairing 
+B1136-B2583 : G-G Bs/O2' pairing 
+B1137-B2583 : G-G O2'/Ss O2'/C8 pairing 
+B1138-B1139 : G-G O2P/Hh adjacent_5p pairing 
+B1142-B1143 : A-A O2P/C8 adjacent_5p pairing 
+B1153-B1156 : C-A O2P/Hh O2P/C8 pairing 
+B1155-B1156 : A-A O2'/Hh O2'/C8 adjacent_5p pairing 
+B1164-B1185 : C-G Ww/Ww pairing antiparallel cis XIX 
+B1165-B1184 : A-U Ww/Ww pairing antiparallel cis XX 
+B1166-B1183 : G-U Ws/Ws pairing antiparallel cis one_hbond 
+B1167-B1182 : C-G Ww/Ww pairing antiparallel cis XIX 
+B1168-B1181 : G-U Ws/Ws pairing antiparallel cis one_hbond 
+B1169-B1180 : A-U Ww/Ww pairing antiparallel cis XX 
+B1170-B1179 : C-G Ww/Ww pairing antiparallel cis XIX 
+B1171-B1178 : G-C Ww/Ww pairing antiparallel cis XIX 
+B1172-B1177 : C-G Ww/Ww pairing antiparallel cis XIX 
+B1193-B2895 : G-G O2P/Bs pairing 
+B1198-B1247 : U-A Ww/Ww pairing antiparallel cis XX 
+B1199-B1246 : U-A Ww/Ww pairing antiparallel cis XX 
+B1200-B1245 : C-G Ww/Ww pairing antiparallel cis XIX 
+B1201-B1244 : U-A Ww/Ww pairing antiparallel cis XX 
+B1202-B1203 : G-U Ss/Hh adjacent_5p pairing antiparallel trans one_hbond 
+B1202-B1243 : G-C Ww/Ww pairing antiparallel cis XIX 
+B1205-B1206 : A-G O2'/Hh adjacent_5p pairing 
+B1205-B1211 : A-C C8/Ws pairing parallel cis one_hbond 
+B1206-B1240 : G-U Ws/Ws pairing antiparallel cis one_hbond 
+B1207-B1239 : C-G Ww/Ww pairing antiparallel cis XIX 
+B1208-B1238 : C-G Ww/Ww pairing antiparallel cis XIX 
+B1209-B1212 : U-G O2P/Hh pairing 
+B1209-B1237 : U-A Ww/Ww pairing antiparallel cis XX 
+B1211-B1236 : C-G Hh/Ss pairing antiparallel trans one_hbond 
+B1213-B1234 : A-U Bh/O2' pairing 
+B1214-B1235 : A-G O2P/Ww pairing 
+B1215-B1234 : G-U Ws/Ws pairing antiparallel cis one_hbond 
+B1215-B1235 : G-G Bh/Ws pairing parallel trans one_hbond 
+B1216-B1233 : G-C Ww/Ww pairing antiparallel cis XIX 
+B1217-B1232 : U-G Ws/Ws pairing antiparallel cis one_hbond 
+B1218-B1231 : G-U Ws/Ws pairing antiparallel cis one_hbond 
+B1219-B1230 : U-A Ww/Ww pairing antiparallel cis XX 
+B1220-B1229 : G-C Ww/Ww pairing antiparallel cis XIX 
+B1221-B1228 : C-G Ww/Ww pairing antiparallel cis XIX 
+B1222-B1224 : U-U Ww/O2P pairing 
+B1222-B1227 : U-G Ws/Ws pairing antiparallel cis one_hbond 
+B1224-B1225 : U-G O2'/Hh adjacent_5p pairing 
+B1226-B1227 : A-G O2P/Hh adjacent_5p upward pairing 
+B1240-B1241 : U-A Hw/C8 adjacent_5p pairing antiparallel cis one_hbond 
+B1241-B1243 : A-C O2'/Hh O2'/Ww pairing 
+B1252-B1254 : G-A Bs/O2' pairing 
+B1254-B1255 : A-U Ss/O2P adjacent_5p pairing 
+B1262-B2014 : A-A O2P/Ww pairing 
+B1262-B2017 : A-U Ww/Ww pairing antiparallel cis XX 
+B1263-B1269 : U-A Ww/O2P pairing 
+B1265-B1616 : A-A Ss/O2' pairing 
+B1266-B1270 : G-C Bs/O2' pairing 
+B1266-B1282 : G-U Ww/O2' pairing 
+B1266-B1647 : G-U O2'/Ww pairing 
+B1268-B2003 : A-A Ww/O2P pairing 
+B1269-B2011 : A-U Ww/Ww pairing antiparallel cis XX 
+B1270-B2010 : C-G Ww/Ww pairing antiparallel cis XIX 
+B1271-B1272 : G-A Bs/O2P adjacent_5p pairing 
+B1271-B1649 : G-G O2'/Hh pairing 
+B1272-B1650 : A-A Ss/O2P C8/O2P pairing 
+B1274-B1288 : A-G Ss/O2P pairing 
+B1275-B1277 : A-G Hw/Hw pairing antiparallel cis one_hbond 
+B1276-B1294 : A-U Ww/Ww pairing antiparallel cis XX 
+B1277-B1293 : G-C Ww/Ww pairing antiparallel cis XIX 
+B1278-B1292 : C-G Ww/Ww pairing antiparallel cis XIX 
+B1279-B1291 : G-C Ww/Ww pairing antiparallel cis XIX 
+B1280-B1290 : G-C Ww/Ww pairing antiparallel cis XIX 
+B1281-B1282 : G-U Hh/Hh adjacent_5p pairing antiparallel cis one_hbond 
+B1281-B1289 : G-C Ww/Ww pairing antiparallel cis XIX 
+B1281-B1647 : G-U Bs/O2' pairing 
+B1281-B2013 : G-A O2P/Ww O2P/Ss pairing 
+B1282-B1285 : U-A Ss/Hw O2'/Bh pairing antiparallel trans one_hbond 45 
+B1282-B1286 : U-A Ws/Bh pairing antiparallel trans one_hbond 
+B1283-B2012 : G-G O2P/Ww pairing 
+B1283-B2014 : G-A O2'/Ww pairing 
+B1284-B2012 : A-G O2P/Ss Hh/O2P pairing 
+B1284-B2013 : A-A O2P/Hh pairing 
+B1285-B1286 : A-A Hh/Hw adjacent_5p pairing parallel cis one_hbond 
+B1285-B2011 : A-U Ss/O2' C8/O2' pairing 
+B1285-B2012 : A-G O2P/Hh Ss/O2P C8/O2P downward pairing 
+B1292-B1310 : G-G O2P/Ss O2P/C8 pairing 
+B1294-B1311 : U-G O2P/Hh O2P/Hh pairing 
+B1294-B1640 : U-A O2P/Bh pairing 
+B1295-B1311 : C-G Hw/Hw pairing antiparallel trans one_hbond 
+B1295-B1645 : C-G Ww/Ww pairing antiparallel cis XIX 
+B1296-B1644 : G-C Ww/Ww pairing antiparallel cis XIX 
+B1297-B1643 : C-G Ww/Ww pairing antiparallel cis XIX 
+B1298-B1338 : C-G O2P/Bs pairing 
+B1298-B1339 : C-G O2P/Ss O2P/Bs pairing 
+B1298-B1642 : C-G Ww/Ww pairing antiparallel cis XIX 
+B1299-B1300 : G-G Ss/O2P C8/O2P adjacent_5p pairing 
+B1299-B1643 : G-G Ww/O2' Bs/O2' pairing 
+B1301-B1303 : A-G Ww/O2' Bh/O2' pairing 
+B1302-B1303 : A-G O2'/Hh pairing 
+B1302-B1607 : A-C Ss/O2P pairing 
+B1302-B1608 : A-A Bh/O2P pairing 
+B1303-B1625 : G-C Ww/Ww pairing antiparallel cis XIX 
+B1304-B1607 : A-C O2P/Bh pairing 
+B1304-B1624 : A-U Ww/Ww pairing antiparallel cis XX 
+B1304-B1646 : A-C O2'/Bh pairing 
+B1305-B1310 : C-G O2'/Ww O2'/Bs pairing 
+B1305-B1623 : C-G Ww/Ww pairing antiparallel cis XIX 
+B1305-B1646 : C-C O2P/Ww pairing 
+B1306-B1622 : C-G Ww/Ww pairing antiparallel cis XIX 
+B1307-B1621 : A-U Ww/Ww pairing antiparallel cis XX 
+B1308-B1309 : A-G C8/Hh adjacent_5p pairing antiparallel cis one_hbond 
+B1310-B1644 : G-C Hh/O2P Hh/O2P pairing 
+B1311-B1312 : G-U Bs/O2P Bs/O2P Ss/O2P adjacent_5p pairing 
+B1311-B1640 : G-A O2'/Ss outward pairing 
+B1312-B1641 : U-A O2P/Ww pairing 
+B1312-B1642 : U-G O2P/Hh pairing 
+B1313-B1339 : U-G Ws/Ws pairing antiparallel cis one_hbond 
+B1314-B1338 : C-G Ww/Ww pairing antiparallel cis XIX 
+B1315-B1337 : C-G Ww/Ww pairing antiparallel cis XIX 
+B1316-B1336 : U-A Ww/Ww pairing antiparallel cis XX 
+B1317-B1335 : G-C Ww/Ww pairing antiparallel cis XIX 
+B1318-B1334 : U-G Ws/Ws pairing antiparallel cis one_hbond 
+B1319-B1322 : C-A O2P/Bh O2P/Hh pairing 
+B1319-B1333 : C-G Ww/Ww pairing antiparallel cis XIX 
+B1320-B1322 : C-A O2P/C8 pairing 
+B1320-B1332 : C-G Ww/Ww pairing antiparallel cis XIX 
+B1323-B1331 : C-G Ww/Ww pairing antiparallel cis XIX 
+B1324-B1330 : G-C Ww/Ww pairing antiparallel cis XIX 
+B1341-B1592 : G-C Bs/O2P pairing 
+B1343-B1404 : G-C Ww/Ww pairing antiparallel cis XIX 
+B1344-B1403 : U-A Ww/Ww pairing antiparallel cis XX 
+B1345-B1601 : C-G Ww/Ww pairing antiparallel cis XIX 
+B1346-B1348 : G-C O2'/Hh pairing 
+B1346-B1600 : G-C Ww/Ww pairing antiparallel cis XIX 
+B1347-B1599 : A-U Ww/Ww pairing antiparallel cis XX 
+B1348-B1349 : C-C O2'/Hh adjacent_5p pairing 
+B1349-B1382 : C-G Ww/Ww pairing antiparallel cis XIX 
+B1350-B1381 : C-G Ww/Ww pairing antiparallel cis XIX 
+B1351-B1377 : C-G Ww/O2' pairing 
+B1351-B1378 : C-A Bh/O2P pairing 
+B1351-B1380 : C-G Ww/Ww pairing antiparallel cis XIX 
+B1352-B1354 : U-A O2P/Hh pairing 
+B1352-B1374 : U-G Ww/O2P pairing 
+B1353-B1373 : A-A Ww/O2' C8/O2P pairing 
+B1355-B1376 : G-C Ww/Ww pairing antiparallel cis XIX 
+B1356-B1375 : G-U Ws/Ws pairing antiparallel cis one_hbond 
+B1357-B1374 : C-G Ww/Ww pairing antiparallel cis XIX 
+B1358-B1359 : G-A Bs/O2P Ss/O2P adjacent_5p pairing 
+B1358-B1361 : G-G Ws/Wh pairing parallel cis one_hbond 
+B1359-B1371 : A-G O2P/Hh Hh/O2P inward pairing 
+B1360-B1361 : G-G O2P/Hh adjacent_5p pairing 
+B1361-B1370 : G-C Ww/Ww pairing antiparallel cis XIX 
+B1362-B1365 : C-A O2P/Ss pairing 
+B1362-B1369 : C-G Ww/Ww pairing antiparallel cis XIX 
+B1363-B1364 : C-G O2'/Hh adjacent_5p pairing 
+B1363-B1365 : C-A O2P/Bh O2P/Hh pairing 
+B1363-B1368 : C-G Ww/Ww pairing antiparallel cis XIX 
+B1364-B1366 : G-A O2'/Hh pairing 
+B1364-B1367 : G-A O2'/Bh pairing 
+B1365-B1366 : A-A O2P/Hh adjacent_5p pairing 
+B1365-B1367 : A-A O2P/Bh pairing 
+B1370-B1373 : C-A O2P/Ww O2P/Bh pairing 
+B1371-B1373 : G-A O2'/Ss Ss/O2P C8/O2P pairing 
+B1375-B1378 : U-A O2P/Bh pairing 
+B1376-B1378 : C-A O2P/Ss pairing 
+B1377-B1378 : G-A Hh/Ww adjacent_5p pairing parallel cis 61 
+B1377-B1380 : G-G O2P/C8 pairing 
+B1385-B1402 : A-U Ww/Ww pairing antiparallel cis XX 
+B1386-B1401 : C-G Ww/Ww pairing antiparallel cis XIX 
+B1387-B1400 : A-U Ww/Ww pairing antiparallel cis XX 
+B1388-B1399 : G-C Ww/Ww pairing antiparallel cis XIX 
+B1389-B1398 : G-C Ww/Ww pairing antiparallel cis XIX 
+B1392-B1394 : A-U Hw/Ss Bh/O2' Hh/O2' pairing parallel cis one_hbond 
+B1392-B1395 : A-A Bh/O2P pairing 
+B1394-B1395 : U-A Ww/Hh adjacent_5p pairing antiparallel cis 52 
+B1405-B1597 : U-A Ww/Ww pairing antiparallel cis XX 
+B1406-B1596 : U-A Ww/Ww pairing antiparallel cis XX 
+B1407-B1595 : G-C Ww/Ww pairing antiparallel cis XIX 
+B1408-B1594 : G-U Ws/Ws pairing antiparallel cis one_hbond 
+B1409-B1593 : U-A Ww/Ww pairing antiparallel cis XX 
+B1410-B1592 : G-C Ww/Ww pairing antiparallel cis XIX 
+B1411-B1591 : U-A Ww/Ww pairing antiparallel cis XX 
+B1412-B1590 : U-A Ww/Ww pairing antiparallel cis XX 
+B1413-B1589 : A-U Ww/Ww pairing antiparallel cis XX 
+B1414-B1586 : C-A Bh/O2P pairing 
+B1414-B1588 : C-G Ww/Ww pairing antiparallel cis XIX 
+B1415-B1583 : U-A O2P/Bh O2P/Hh pairing 
+B1415-B1587 : U-G Ws/Ws pairing antiparallel cis one_hbond 
+B1416-B1465 : G-G Ws/Ss Bs/O2' pairing antiparallel cis one_hbond 
+B1416-B1583 : G-A O2P/Bh pairing 
+B1417-B1635 : C-A Ss/Bs Ww/O2' Bh/O2' pairing parallel trans one_hbond 
+B1418-B1581 : G-G Ww/Hh pairing parallel trans one_hbond 111 
+B1418-B1583 : G-A Bs/O2P pairing 
+B1418-B1634 : G-A O2'/Ww O2'/Bh pairing 
+B1418-B1635 : G-A O2P/Bh Bs/O2P Bs/O2P pairing 
+B1419-B1573 : A-G O2'/Hh pairing 
+B1420-B1569 : A-A O2P/Ww O2P/Ss pairing 
+B1420-B1578 : A-U Ww/Ww pairing antiparallel cis XX 
+B1421-B1569 : G-A O2P/Ss O2P/C8 pairing 
+B1421-B1577 : G-C Ww/Ww pairing antiparallel cis XIX 
+B1422-B1568 : G-G Hw/C8 pairing parallel trans one_hbond 
+B1422-B1576 : G-U Ws/Ws pairing antiparallel cis one_hbond 
+B1423-B1575 : G-C Ww/Ww pairing antiparallel cis XIX 
+B1424-B1565 : G-C Sw/Bs O2'/Hh pairing antiparallel trans one_hbond 128 
+B1424-B1567 : G-G Hh/O2P pairing 
+B1424-B1574 : G-C Ww/Ww pairing antiparallel cis XIX 
+B1425-B1566 : G-A Bs/O2P pairing 
+B1426-B1431 : G-A Ww/O2' pairing 
+B1426-B1566 : G-A O2P/Ss O2P/Ss pairing 
+B1426-B1567 : G-G O2P/Hh O2P/C8 pairing 
+B1427-B1572 : A-A O2P/Ss pairing 
+B1428-B1630 : C-A Hh/O2' pairing 
+B1429-B1564 : G-C Ww/Ww pairing antiparallel cis XIX 
+B1430-B1566 : C-A Ss/Hw O2'/Ww O2'/Bh pairing antiparallel trans one_hbond 77 
+B1431-B1562 : A-U Ww/Ww pairing antiparallel cis XX 
+B1432-B1433 : G-A O2P/Hh adjacent_5p pairing 
+B1432-B1561 : G-C Ww/Ww pairing antiparallel cis XIX 
+B1434-B1435 : A-G O2'/Hh adjacent_5p pairing 
+B1435-B1557 : G-C Ww/Ww pairing antiparallel cis XIX 
+B1436-B1439 : G-A O2P/Ww pairing 
+B1436-B1556 : G-C Ww/Ww pairing antiparallel cis XIX 
+B1437-B1438 : C-U O2P/Hh adjacent_5p pairing 
+B1437-B1555 : C-G Ww/Ww pairing antiparallel cis XIX 
+B1440-B1551 : U-A Ww/Ww pairing antiparallel cis XX 
+B1441-B1550 : G-C Ww/Ww pairing antiparallel cis XIX 
+B1442-B1549 : U-A Ww/Ww pairing antiparallel cis XX 
+B1443-B1548 : U-A Ww/Ww pairing antiparallel cis XX 
+B1444-B1445 : G-G O2P/Ww adjacent_5p pairing 
+B1444-B1547 : G-C Ww/Ww pairing antiparallel cis XIX 
+B1445-B1446 : G-C O2P/Hh adjacent_5p pairing 
+B1445-B1543 : G-G O2'/Hh pairing 
+B1446-B1465 : C-G Ww/Ww pairing antiparallel cis XIX 
+B1447-B1464 : C-G Ww/Ww pairing antiparallel cis XIX 
+B1448-B1463 : G-C Ww/Ww pairing antiparallel cis XIX 
+B1449-B1462 : G-C Ww/Ww pairing antiparallel cis XIX 
+B1449-B1544 : G-A Hw/Bs pairing antiparallel trans one_hbond 
+B1450-B1452 : G-G Bs/O2P pairing 
+B1450-B1461 : G-C Ww/Ww pairing antiparallel cis XIX 
+B1450-B1468 : G-U O2'/Ww pairing 
+B1451-B1526 : C-C Hh/O2P pairing 
+B1452-B1453 : G-A C8/O2P adjacent_5p pairing 
+B1452-B1460 : G-U Hw/Hh pairing antiparallel cis one_hbond 
+B1452-B1526 : G-C O2P/Hh pairing 
+B1454-B1470 : C-A Ww/O2' Bh/O2' pairing 
+B1455-B1526 : G-C Hh/O2P pairing 
+B1459-B1461 : G-C Ss/O2P pairing 
+B1459-B1462 : G-C Bs/O2P pairing 
+B1459-B1543 : G-G Ww/O2' Bs/O2' pairing 
+B1459-B1544 : G-A Bs/O2P pairing 
+B1463-B1544 : C-A Bh/O2' pairing 
+B1464-B1466 : G-U Sw/Ss Ss/O2' pairing antiparallel cis one_hbond 
+B1464-B1544 : G-A Hh/O2' pairing 
+B1467-B1468 : U-U Hh/O2P adjacent_5p pairing 
+B1468-B1527 : U-G O2'/Ss O2'/C8 pairing 
+B1469-B1473 : A-G Hh/O2P C8/O2P pairing 
+B1469-B1474 : A-U Bh/O2P pairing 
+B1470-B1472 : A-C Ss/O2P pairing 
+B1470-B1528 : A-A O2P/Hh pairing 
+B1471-B1520 : G-U Ws/Ws pairing antiparallel cis one_hbond 
+B1471-B1523 : G-U Ss/Hh pairing antiparallel cis one_hbond 
+B1471-B1536 : G-C Ww/O2' pairing 
+B1472-B1515 : C-A O2P/Hh pairing 
+B1472-B1519 : C-G Ww/Ww pairing antiparallel cis XIX 
+B1472-B1528 : C-A O2'/Ww O2'/Ss pairing 
+B1473-B1518 : G-C Ww/Ww pairing antiparallel cis XIX 
+B1474-B1517 : U-G Ws/Ws pairing antiparallel cis one_hbond 
+B1476-B1517 : U-G Ww/O2P pairing 
+B1477-B1478 : A-G C8/O2P adjacent_5p pairing 
+B1478-B1513 : G-U Ws/Ws pairing antiparallel cis one_hbond 
+B1478-B1515 : G-A O2'/Bh pairing 
+B1478-B1516 : G-G C8/O2P pairing 
+B1479-B1512 : G-C Ww/Ww pairing antiparallel cis XIX 
+B1480-B1511 : C-G Ww/Ww pairing antiparallel cis XIX 
+B1481-B1508 : U-A Ww/Ww pairing antiparallel cis XX 
+B1482-B1507 : G-C Ww/Ww pairing antiparallel cis XIX 
+B1483-B1506 : G-U Ws/Ws pairing antiparallel cis one_hbond 
+B1484-B1505 : U-A Ww/Ww pairing antiparallel cis XX 
+B1485-B1504 : U-A Ww/Ww pairing antiparallel cis XX 
+B1486-B1503 : U-A Ww/Ww pairing antiparallel cis XX 
+B1487-B1502 : U-A Ww/Ww pairing antiparallel cis XX 
+B1488-B1501 : C-G Ww/Ww pairing antiparallel cis XIX 
+B1489-B1500 : C-G Ww/Ww pairing antiparallel cis XIX 
+B1491-B1496 : G-A Bh/Bs pairing antiparallel trans one_hbond 
+B1491-B1499 : G-C Ww/Ww pairing antiparallel cis XIX 
+B1492-B1498 : G-C Ww/Ww pairing antiparallel cis XIX 
+B1495-B1496 : A-A O2P/Hh adjacent_5p pairing 
+B1509-B1510 : A-G O2'/Hh adjacent_5p pairing 
+B1515-B1516 : A-G Ss/O2P adjacent_5p pairing 
+B1516-B1520 : G-U Ww/Hw pairing parallel cis one_hbond 
+B1519-B1521 : G-G Ws/Bh pairing antiparallel cis one_hbond 115 
+B1520-B1522 : U-A O2'/Ww O2'/Ss pairing 
+B1520-B1536 : U-C Ww/O2' pairing 
+B1521-B1522 : G-A Ww/O2' adjacent_5p pairing 
+B1522-B1528 : A-A O2'/Ss Hh/O2' C8/O2' pairing 
+B1522-B1537 : A-G Bh/O2P pairing 
+B1523-B1527 : U-G O2P/Bs O2P/Ss pairing 
+B1523-B1528 : U-A O2P/Ww O2P/Ss pairing 
+B1524-B1539 : G-U Ww/O2P pairing 
+B1527-B1529 : G-G Bs/O2P Ss/O2P Ss/O2P C8/O2P pairing 
+B1528-B1529 : A-G O2P/Hh adjacent_5p pairing 
+B1529-B1542 : G-U Ws/Ws pairing antiparallel cis one_hbond 
+B1530-B1541 : G-C Ww/Ww pairing antiparallel cis XIX 
+B1531-B1540 : C-G Ww/Ww pairing antiparallel cis XIX 
+B1532-B1539 : A-U Ww/Ww pairing antiparallel cis XX 
+B1533-B1535 : C-A Bh/O2P pairing 
+B1533-B1538 : C-G Ww/Ww pairing antiparallel cis XIX 
+B1534-B1535 : U-A O2'/Hh adjacent_5p pairing 
+B1543-B1544 : G-A Ss/C8 adjacent_5p pairing parallel cis one_hbond 
+B1545-B1546 : A-G O2'/Ss adjacent_5p pairing 
+B1551-B1552 : A-A O2P/Ss O2P/C8 Hh/O2' adjacent_5p pairing 
+B1552-B1555 : A-G Ww/O2P pairing 
+B1553-B1555 : A-G O2'/Hh O2P/Hh pairing 
+B1557-B1560 : C-G O2P/Bs pairing 
+B1559-B1561 : U-C O2'/Bh pairing 
+B1568-B1570 : G-A O2P/C8 O2'/Bh pairing 
+B1568-B1572 : G-A O2P/C8 O2'/Hh pairing 
+B1568-B1574 : G-C O2'/Bh pairing 
+B1568-B1575 : G-C O2'/Bh pairing 
+B1568-B1580 : G-A Ws/Ww pairing antiparallel trans one_hbond 
+B1569-B1570 : A-A O2P/Ww O2P/Bh O2'/Hh O2'/C8 adjacent_5p pairing 
+B1569-B1571 : A-A Hh/O2P pairing 
+B1569-B1572 : A-A C8/O2P pairing 
+B1569-B1573 : A-G O2P/C8 pairing 
+B1570-B1572 : A-A Ss/O2P downward pairing 
+B1571-B1572 : A-A Ss/O2P adjacent_5p pairing 
+B1572-B1573 : A-G Ss/O2P adjacent_5p pairing 
+B1572-B1574 : A-C Hh/Hw pairing parallel trans one_hbond 
+B1573-B1631 : G-G Ss/O2' pairing 
+B1576-B1580 : U-A O2P/Ww O2P/Bh pairing 
+B1577-B1579 : C-A O2P/Bh O2P/Hh O2P/Hh pairing 
+B1577-B1580 : C-A O2P/Hh pairing 
+B1578-B1579 : U-A O2P/Hh O2P/C8 adjacent_5p pairing 
+B1579-B1580 : A-A Ss/O2P adjacent_5p pairing 
+B1580-B1632 : A-A Ss/O2P pairing 
+B1581-B1629 : G-U Bs/O2P pairing 
+B1581-B1630 : G-A Bs/O2P pairing 
+B1581-B1632 : G-A Ww/O2P pairing 
+B1582-B1628 : C-G O2P/Hh pairing 
+B1582-B1634 : C-A Ws/C8 pairing parallel cis one_hbond 
+B1583-B1637 : A-A Ww/O2P Ww/O2P Ss/O2P pairing 
+B1583-B1638 : A-C Bh/O2P pairing 
+B1586-B1587 : A-G O2'/Hh O2'/C8 adjacent_5p pairing 
+B1586-B1588 : A-G C8/O2P pairing 
+B1586-B1589 : A-U Hh/O2P pairing 
+B1596-B1598 : A-A O2P/Hh pairing 
+B1598-B1599 : A-U C8/O2P pairing 
+B1608-B1622 : A-G Ss/O2P pairing 
+B1609-B1610 : A-A Ss/O2P adjacent_5p pairing 
+B1609-B1621 : A-U C8/O2' pairing 
+B1610-B1611 : A-C Ss/O2P adjacent_5p pairing 
+B1610-B1612 : A-C Ww/O2P pairing 
+B1611-B1620 : C-G Ww/Ww pairing antiparallel cis XIX 
+B1612-B1619 : C-G Ww/Ww pairing antiparallel cis XIX 
+B1613-B1615 : G-C Ss/Ww pairing parallel trans 119 
+B1626-B1642 : A-G Hh/Sw pairing antiparallel cis one_hbond 
+B1627-B1639 : G-C Ww/Ww pairing antiparallel cis XIX 
+B1627-B1641 : G-A O2'/C8 pairing 
+B1628-B1638 : G-C Ww/Ww pairing antiparallel cis XIX 
+B1629-B1637 : U-A Ww/Ww pairing antiparallel cis XX 
+B1630-B1636 : A-U Ww/Ww pairing antiparallel cis XX 
+B1631-B1632 : G-A O2'/Hh adjacent_5p pairing 
+B1634-B1635 : A-A Hh/O2P C8/O2P adjacent_5p pairing 
+B1641-B1642 : A-G Ss/O2P adjacent_5p pairing 
+B1648-B2009 : U-A Ww/Ww pairing antiparallel cis XX 
+B1649-B2008 : G-C Ww/Ww pairing antiparallel cis XIX 
+B1650-B2007 : A-U Ww/Ww pairing antiparallel cis XX 
+B1651-B1652 : G-A Bs/O2' adjacent_5p pairing 
+B1651-B2006 : G-C Ww/Ww pairing antiparallel cis XIX 
+B1653-B1654 : G-A O2'/Ss adjacent_5p pairing 
+B1656-B2004 : C-G Ww/Ww pairing antiparallel cis XIX 
+B1657-B2003 : U-A Ww/Ww pairing antiparallel cis XX 
+B1658-B1996 : C-C O2P/Bh pairing 
+B1658-B2002 : C-G Ww/Ww pairing antiparallel cis XIX 
+B1659-B1996 : G-C O2P/Ww O2P/Bh pairing 
+B1659-B2001 : G-C Ww/Ww pairing antiparallel cis XIX 
+B1660-B2000 : G-C Ww/Ww pairing antiparallel cis XIX 
+B1661-B1999 : G-C Ww/Ww pairing antiparallel cis XIX 
+B1662-B1998 : U-A Ww/Ww pairing antiparallel cis XX 
+B1663-B1997 : G-C Ww/Ww pairing antiparallel cis XIX 
+B1664-B1665 : A-A O2'/Hh adjacent_5p pairing 
+B1664-B1759 : A-A Ww/O2P Bh/O2P pairing 
+B1665-B1995 : A-U Ww/Ww pairing antiparallel cis XX 
+B1666-B1994 : G-C Ww/Ww pairing antiparallel cis XIX 
+B1667-B1758 : G-U Hh/Ww pairing antiparallel trans one_hbond 95 
+B1667-B1993 : G-U Ws/Ws pairing antiparallel cis one_hbond 
+B1668-B1753 : A-G O2'/Bs pairing 
+B1669-B1991 : A-U Ww/Ww pairing antiparallel cis XX 
+B1670-B1749 : C-A Ww/O2' Bh/O2' pairing 
+B1670-B1753 : C-G Ws/C8 O2'/C8 pairing antiparallel cis one_hbond 
+B1671-B1672 : U-A Bs/C8 adjacent_5p pairing antiparallel trans one_hbond 
+B1671-B1751 : U-U Hh/O2P pairing 
+B1672-B1673 : A-G C8/O2' adjacent_5p pairing 
+B1672-B1674 : A-G Ss/O2P C8/O2P pairing 
+B1672-B1678 : A-A Ss/Wh pairing antiparallel cis one_hbond 40 
+B1672-B1702 : A-G Ww/O2P pairing 
+B1673-B1682 : G-G O2P/Hh pairing 
+B1673-B1988 : G-G Bs/O2P pairing 
+B1674-B1678 : G-A O2P/Ww pairing 
+B1674-B1681 : G-G Hh/O2P pairing 
+B1674-B1701 : G-A Bs/O2P Ss/O2P pairing 
+B1674-B1702 : G-G O2'/Hh pairing 
+B1675-B1677 : C-A O2'/Ss O2'/C8 pairing 
+B1675-B1678 : C-A O2P/Hh O2P/C8 pairing 
+B1678-B1684 : A-G O2'/Hh pairing 
+B1678-B1685 : A-C O2'/Bh pairing 
+B1679-B1685 : A-C O2P/Bh pairing 
+B1679-B1686 : A-C O2P/Bh pairing 
+B1679-B1690 : A-A Ww/C8 pairing parallel cis one_hbond 
+B1679-B1700 : A-A Hh/O2P pairing 
+B1680-B1682 : U-G Ww/O2P pairing 
+B1680-B1700 : U-A O2P/C8 pairing 
+B1682-B1706 : G-C Ww/Ww pairing antiparallel cis XIX 
+B1683-B1705 : U-A Ww/Ww pairing antiparallel cis XX 
+B1684-B1704 : G-C Ww/Ww pairing antiparallel cis XIX 
+B1685-B1703 : C-G Ww/Ww pairing antiparallel cis XIX 
+B1686-B1702 : C-G Ww/Ww pairing antiparallel cis XIX 
+B1689-B1692 : A-U Hh/O2P C8/O2P pairing 
+B1689-B1693 : A-U Bh/O2P pairing 
+B1689-B1695 : A-G Ww/O2P Ss/O2P pairing 
+B1689-B1696 : A-G Ww/O2P pairing 
+B1690-B1691 : A-C Bh/O2' Hh/O2' adjacent_5p pairing 
+B1691-B1697 : C-G Ww/Sw pairing antiparallel cis one_hbond 125 
+B1691-B1699 : C-G O2P/Hh pairing 
+B1692-B1697 : U-G Hh/O2' pairing 
+B1693-B1698 : U-A O2P/Hh pairing 
+B1694-B1695 : C-G O2'/Ww O2'/Bs adjacent_5p pairing 
+B1694-B1697 : C-G Bh/O2P pairing 
+B1694-B1698 : C-A Bh/O2P pairing 
+B1696-B2703 : G-C O2P/Bh pairing 
+B1697-B2704 : G-C O2P/Bh pairing 
+B1697-B2705 : G-A O2P/Bh pairing 
+B1698-B2702 : A-G O2P/Ss pairing 
+B1701-B1989 : A-G O2'/Hh pairing 
+B1702-B1989 : G-G O2P/Hh pairing 
+B1707-B1751 : G-U Ws/Ws pairing antiparallel cis one_hbond 
+B1708-B1750 : C-G Ww/Ww pairing antiparallel cis XIX 
+B1709-B1749 : U-A Ww/Ww pairing antiparallel cis XX 
+B1710-B1748 : G-C Ww/Ww pairing antiparallel cis XIX 
+B1711-B1747 : A-U Ww/Ww pairing antiparallel cis XX 
+B1712-B1746 : U-A Ww/Ww pairing antiparallel cis XX 
+B1713-B1741 : A-C Bh/O2P pairing 
+B1713-B1742 : A-U Ww/O2P pairing 
+B1714-B1717 : U-A O2P/Bh pairing 
+B1714-B1741 : U-C Bs/Hw pairing antiparallel trans one_hbond 97 
+B1715-B1737 : G-G Hh/Sw pairing antiparallel trans one_hbond 108 
+B1715-B1738 : G-G O2P/Hh pairing 
+B1716-B1743 : U-G Ws/Ws pairing antiparallel cis one_hbond 
+B1717-B1742 : A-U Ww/Ww pairing antiparallel cis XX 
+B1718-B1741 : G-C Ww/Ww pairing antiparallel cis XIX 
+B1719-B1732 : G-C Hh/O2P pairing 
+B1721-B1737 : G-G O2'/Ww pairing 
+B1721-B1738 : G-G Bs/O2' pairing 
+B1721-B1739 : G-A O2P/Ww O2P/Bh pairing 
+B1722-B1739 : A-A O2P/Ss O2P/C8 pairing 
+B1722-B1740 : A-G O2P/Ww downward pairing 
+B1724-B1736 : G-U Ws/Ws pairing antiparallel cis one_hbond 
+B1725-B1735 : U-A Ww/Ww pairing antiparallel cis XX 
+B1726-B1734 : C-G Ww/Ww pairing antiparallel cis XIX 
+B1727-B1733 : C-G Ww/Ww pairing antiparallel cis XIX 
+B1728-B1732 : C-C Wh/Ww pairing parallel trans one_hbond 
+B1734-B1739 : G-A O2P/Ww O2P/Bh pairing 
+B1735-B1739 : A-A O2P/C8 Hh/O2' pairing 
+B1736-B1740 : U-G Hh/O2P Ww/O2P pairing 
+B1737-B1740 : G-G Hh/Bs Hh/O2P pairing parallel cis 33 
+B1743-B1744 : G-A O2'/Hh adjacent_5p pairing 
+B1744-B1746 : A-A Ss/O2P pairing 
+B1754-B1988 : A-G O2P/Ss pairing 
+B1754-B1989 : A-G C8/O2' pairing 
+B1754-B1990 : A-C Ww/O2P Bh/O2P Bh/O2P pairing 
+B1755-B1988 : A-G O2P/Bs pairing 
+B1757-B1760 : A-C O2'/Hh pairing 
+B1762-B1992 : A-G Bs/Wh pairing antiparallel trans one_hbond 
+B1764-B1988 : C-G Ww/Ww pairing antiparallel cis XIX 
+B1765-B1987 : U-A Ww/Ww pairing antiparallel cis XX 
+B1766-B1986 : G-C Ww/Ww pairing antiparallel cis XIX 
+B1767-B1985 : G-C Ww/Ww pairing antiparallel cis XIX 
+B1768-B1984 : C-G Ww/Ww pairing antiparallel cis XIX 
+B1769-B1983 : U-G Ws/Ws pairing antiparallel cis one_hbond 
+B1770-B1982 : G-U Ws/Ws pairing antiparallel cis one_hbond 
+B1771-B1980 : C-G Ww/Ww pairing antiparallel cis XIX 
+B1772-B1773 : A-A Ss/O2' adjacent_5p pairing 
+B1772-B1979 : A-U Ww/Ww pairing antiparallel cis XX 
+B1774-B1784 : C-A Ww/O2P pairing 
+B1775-B1789 : U-A Ww/Ww pairing antiparallel cis XX 
+B1776-B1788 : G-C Ww/Ww pairing antiparallel cis XIX 
+B1777-B1787 : U-A Ww/Ww pairing antiparallel cis XX 
+B1778-B1786 : U-A Ww/Ww pairing antiparallel cis XX 
+B1779-B1785 : U-A Ww/Ww pairing antiparallel cis XX 
+B1780-B1784 : A-A Hh/Wh pairing antiparallel trans one_hbond 
+B1780-B2544 : A-G Hh/O2' pairing 
+B1784-B2544 : A-G Ww/O2' pairing 
+B1787-B2556 : A-C Ww/O2P Ss/O2P pairing 
+B1787-B2557 : A-G Ss/O2P C8/O2P pairing 
+B1790-B1828 : C-G O2'/Hh pairing 
+B1790-B1830 : C-C Ww/O2P Bh/O2P pairing 
+B1790-B1942 : C-C Ws/Wh pairing antiparallel cis one_hbond 137 
+B1791-B1930 : A-G Ss/O2P pairing 
+B1791-B1932 : A-A Bh/O2' pairing 
+B1791-B1934 : A-C Ss/Hh O2'/Hh pairing parallel cis one_hbond 
+B1791-B1942 : A-C Hh/O2P Hh/O2P pairing 
+B1791-B2441 : A-U Hh/O2' pairing 
+B1792-B1819 : G-A O2P/Ww pairing 
+B1792-B1827 : G-U Ws/Ws pairing antiparallel cis one_hbond 
+B1792-B1934 : G-C O2P/Bh pairing 
+B1792-B1943 : G-U O2'/Ww pairing 
+B1793-B1826 : C-G Ww/Ww pairing antiparallel cis XIX 
+B1794-B1825 : A-U Ww/Ww pairing antiparallel cis XX 
+B1795-B1824 : C-G Ww/Ww pairing antiparallel cis XIX 
+B1795-B1965 : C-C O2'/Bh pairing 
+B1796-B1817 : U-G O2P/Ww O2P/Ww pairing 
+B1796-B1823 : U-G Ws/Ws pairing antiparallel cis one_hbond 
+B1797-B1815 : G-A O2P/C8 pairing 
+B1797-B1817 : G-G O2P/Bs pairing 
+B1797-B1822 : G-C Ww/Ww pairing antiparallel cis XIX 
+B1798-B1821 : U-A Ww/Ww pairing antiparallel cis XX 
+B1799-B1820 : G-U Ws/Ws pairing antiparallel cis one_hbond 
+B1801-B1802 : A-A Hh/O2P adjacent_5p pairing 
+B1801-B1816 : A-C Ss/O2' C8/O2' pairing 
+B1802-B1813 : A-G Hh/Ss Bh/O2' pairing antiparallel trans XI 
+B1803-B1897 : A-G Bh/O2P pairing 
+B1804-B1813 : C-G Ww/Ww pairing antiparallel cis XIX 
+B1805-B1812 : A-U Ww/Ww pairing antiparallel cis XX 
+B1806-B1809 : C-A Bh/O2P pairing 
+B1806-B1811 : C-G Ww/Ww pairing antiparallel cis XIX 
+B1808-B1810 : A-A O2P/Bh pairing 
+B1809-B1810 : A-A O2P/Bh adjacent_5p upward pairing 
+B1810-B1811 : A-G O2P/Hh adjacent_5p pairing 
+B1813-B1814 : G-G Bh/C8 adjacent_5p pairing antiparallel cis one_hbond 
+B1814-B1815 : G-A O2'/Ss O2P/Ww O2P/Bh adjacent_5p pairing 
+B1814-B1816 : G-C O2P/Ww pairing 
+B1819-B1934 : A-C Wh/Ww pairing parallel trans one_hbond 
+B1825-B1966 : U-A O2'/Ss pairing 
+B1826-B1968 : G-G O2'/Hh pairing 
+B1827-B1829 : U-A Ww/O2P pairing 
+B1828-B2443 : G-C Ww/O2' Bs/O2' pairing 
+B1829-B1969 : A-A C8/O2' pairing 
+B1829-B1970 : A-A Bh/O2' Hh/O2P C8/O2P pairing 
+B1829-B1976 : A-U Ww/Ww pairing antiparallel cis XX 
+B1830-B1970 : C-A Bh/O2' pairing 
+B1830-B1975 : C-G Ww/Ww pairing antiparallel cis XIX 
+B1831-B1974 : G-C Ww/Ww pairing antiparallel cis XIX 
+B1832-B1973 : C-G Ww/Ww pairing antiparallel cis XIX 
+B1833-B1834 : C-U O2P/Hh adjacent_5p pairing 
+B1833-B1972 : C-G Ww/Ww pairing antiparallel cis XIX 
+B1835-B1905 : G-C Ww/Ww pairing antiparallel cis XIX 
+B1836-B1904 : C-G Ww/Ww pairing antiparallel cis XIX 
+B1837-B1838 : C-C Ws/Hh adjacent_5p pairing parallel trans one_hbond 
+B1837-B1903 : C-G Ww/Ww pairing antiparallel cis XIX 
+B1838-B1840 : C-G O2'/C8 pairing 
+B1840-B1902 : G-C Ww/Ww pairing antiparallel cis XIX 
+B1841-B1901 : U-A Ww/Ww pairing antiparallel cis XX 
+B1842-B1898 : G-U Ws/Ws pairing antiparallel cis one_hbond 
+B1843-B1897 : C-G Ww/Ww pairing antiparallel cis XIX 
+B1844-B1896 : C-G Ww/Ww pairing antiparallel cis XIX 
+B1845-B1895 : G-C Ww/Ww pairing antiparallel cis XIX 
+B1846-B1847 : G-A O2P/Hh O2P/Hh adjacent_5p pairing 
+B1846-B1894 : G-C Ww/Ww pairing antiparallel cis XIX 
+B1847-B2231 : A-U Ss/O2' C8/O2' pairing 
+B1848-B1852 : A-U Hh/O2' C8/O2' pairing 
+B1848-B2089 : A-C O2P/Hh pairing 
+B1848-B2090 : A-A Bh/Ss Hh/O2' pairing antiparallel trans one_hbond 40 
+B1849-B1889 : G-A O2P/Ss pairing 
+B1849-B1893 : G-C Ww/Ww pairing antiparallel cis XIX 
+B1850-B1890 : G-A O2P/Bh pairing 
+B1850-B1892 : G-C Ww/Ww pairing antiparallel cis XIX 
+B1852-B1856 : U-U O2P/Ww pairing 
+B1852-B1857 : U-G O2'/Hh pairing 
+B1853-B1855 : A-U Ss/O2P pairing 
+B1853-B1857 : A-G O2P/C8 pairing 
+B1853-B1886 : A-U O2P/Ww pairing 
+B1853-B1887 : A-C Hh/O2P pairing 
+B1853-B1888 : A-G O2'/C8 pairing 
+B1854-B1855 : A-U Ss/O2P adjacent_5p pairing 
+B1854-B1859 : A-U Bh/O2' pairing 
+B1854-B1888 : A-G O2P/Hh O2P/C8 pairing 
+B1855-B1858 : U-A O2P/Hh pairing 
+B1855-B1884 : U-G O2'/Ss Hh/O2' Ww/O2' pairing 
+B1855-B1885 : U-A Ww/O2' pairing 
+B1855-B1886 : U-U Hh/O2P pairing 
+B1856-B1890 : U-A O2'/Ww pairing 
+B1857-B1858 : G-A Bs/O2P Ss/O2P adjacent_5p pairing 
+B1857-B1886 : G-U O2P/Ww pairing 
+B1857-B2230 : G-G Bs/O2' Ss/O2' pairing 
+B1858-B1885 : A-A O2'/Ww pairing 
+B1859-B1885 : U-A O2P/Ww O2P/Bh pairing 
+B1860-B1882 : G-U Ws/Ws pairing antiparallel cis one_hbond 
+B1860-B1883 : G-U Sw/Ws pairing parallel trans one_hbond 
+B1861-B1881 : G-C Ww/Ww pairing antiparallel cis XIX 
+B1862-B1880 : G-U Ws/Ws pairing antiparallel cis one_hbond 
+B1863-B1879 : G-C Ww/Ww pairing antiparallel cis XIX 
+B1864-B1878 : U-G Ws/Ws pairing antiparallel cis one_hbond 
+B1865-B1877 : U-A Ww/Ww pairing antiparallel cis XX 
+B1867-B1874 : G-C Ww/Ww pairing antiparallel cis XIX 
+B1868-B1873 : C-G Ww/Ww pairing antiparallel cis XIX 
+B1870-B1872 : C-A Hh/Ww pairing parallel trans one_hbond 
+B1870-B2159 : C-G O2'/Hh pairing 
+B1871-B1872 : A-A O2P/Hh Ww/O2' adjacent_5p upward pairing 
+B1871-B2132 : A-U Ww/O2P Bh/O2P pairing 
+B1871-B2133 : A-G Wh/Hh pairing parallel cis one_hbond 61 
+B1872-B1875 : A-G O2P/Ww O2P/Bs pairing 
+B1873-B2134 : G-A O2P/Bh pairing 
+B1874-B1875 : C-G Bh/O2' adjacent_5p pairing 
+B1876-B1877 : A-A O2P/Hh adjacent_5p pairing 
+B1882-B1883 : U-U O2'/Hh adjacent_5p pairing 
+B1883-B1884 : U-G O2'/C8 adjacent_5p pairing 
+B1886-B1887 : U-C O2'/Hh adjacent_5p pairing 
+B1887-B1888 : C-G O2P/Hh adjacent_5p pairing 
+B1900-B1901 : A-A O2'/Hh adjacent_5p pairing 
+B1900-B1902 : A-C Hh/Wh pairing antiparallel trans one_hbond 
+B1905-B1928 : C-A O2'/Hh O2'/C8 pairing 
+B1906-B1924 : G-C Ww/Ww pairing antiparallel cis XIX 
+B1906-B1938 : G-A O2P/Hh pairing 
+B1907-B1923 : G-U Ws/Ws pairing antiparallel cis one_hbond 
+B1907-B1938 : G-A O2P/Bh pairing 
+B1908-B1922 : C-G Ww/Ww pairing antiparallel cis XIX 
+B1909-B1921 : C-G Ww/Ww pairing antiparallel cis XIX 
+B1910-B1920 : G-C Ww/Ww pairing antiparallel cis XIX 
+B1912-B1916 : A-A Ww/O2P pairing 
+B1924-B1926 : C-U Bh/O2P pairing 
+B1926-B1927 : U-A O2P/Bh O2P/Hh adjacent_5p pairing 
+B1928-B1936 : A-A Ss/O2' pairing 
+B1928-B1941 : A-C O2'/Bh pairing 
+B1929-B1930 : G-G Ss/Ws adjacent_5p pairing parallel cis one_hbond 
+B1932-B1937 : A-A Hh/O2P pairing 
+B1932-B1941 : A-C O2P/Ww O2P/Bh pairing 
+B1933-B1935 : G-G O2'/Bs O2'/Ss pairing 
+B1933-B1936 : G-A Hh/C8 pairing parallel trans one_hbond 
+B1933-B2063 : G-C C8/O2P pairing 
+B1934-B1935 : C-G O2P/C8 adjacent_5p pairing 
+B1934-B1972 : C-G O2P/Bs O2P/Ss pairing 
+B1935-B1940 : G-U Bs/O2P pairing 
+B1935-B1973 : G-G Hh/O2' pairing 
+B1935-B2062 : G-A Bh/Bs pairing antiparallel cis one_hbond 
+B1937-B1938 : A-A O2P/Hh O2P/C8 adjacent_5p pairing 
+B1938-B2064 : A-C Ss/O2P pairing 
+B1940-B2063 : U-C Bs/Hh pairing parallel cis one_hbond 
+B1940-B2553 : U-G Ww/O2' pairing 
+B1941-B1972 : C-G O2'/C8 pairing 
+B1941-B2062 : C-A O2P/Ss pairing 
+B1943-B1944 : U-U Hh/O2P adjacent_5p pairing 
+B1945-B1961 : G-C Ww/Ww pairing antiparallel cis XIX 
+B1946-B1960 : U-A Ww/Ww pairing antiparallel cis XX 
+B1946-B1963 : U-U O2'/Hh pairing 
+B1947-B1959 : C-G Ww/Ww pairing antiparallel cis XIX 
+B1948-B1958 : G-C Ww/Ww pairing antiparallel cis XIX 
+B1949-B1957 : G-C Ww/Ww pairing antiparallel cis XIX 
+B1950-B1952 : G-A Ww/O2P pairing 
+B1950-B1956 : G-U Ws/Ws pairing antiparallel cis one_hbond 
+B1952-B1954 : A-G Ww/O2P pairing 
+B1952-B1968 : A-G O2'/Bs pairing 
+B1954-B2058 : G-A O2'/Ss pairing 
+B1955-B2058 : U-A O2P/Ss pairing 
+B1963-B1965 : U-C Ww/O2P pairing 
+B1964-B1965 : G-C O2'/Hh adjacent_5p pairing 
+B1965-B1966 : C-A O2'/Hh O2'/C8 adjacent_5p pairing 
+B1971-B1974 : U-C O2P/Bh pairing 
+B1991-B1992 : U-G O2P/Hh adjacent_5p pairing 
+B2004-B2005 : G-A O2P/Hh adjacent_5p pairing 
+B2007-B2846 : U-G O2P/Hh pairing 
+B2013-B2014 : A-A O2P/Bh adjacent_5p pairing 
+B2015-B2018 : A-G O2'/Ww pairing 
+B2017-B2018 : U-G O2P/Hh adjacent_5p pairing 
+B2023-B2040 : C-G Ww/Ww pairing antiparallel cis XIX 
+B2024-B2039 : G-U Ws/Ws pairing antiparallel cis one_hbond 
+B2025-B2038 : C-G Ww/Ww pairing antiparallel cis XIX 
+B2026-B2037 : U-A Ww/Ww pairing antiparallel cis XX 
+B2027-B2036 : G-C Ww/Ww pairing antiparallel cis XIX 
+B2042-B2043 : A-C O2'/Hh adjacent_5p pairing 
+B2043-B2625 : C-G Ww/Ww pairing antiparallel cis XIX 
+B2044-B2624 : C-G Ww/Ww pairing antiparallel cis XIX 
+B2045-B2623 : C-G Ww/Ww pairing antiparallel cis XIX 
+B2046-B2622 : G-U Ws/Ws pairing antiparallel cis one_hbond 
+B2047-B2621 : C-G Ww/Ww pairing antiparallel cis XIX 
+B2048-B2620 : G-C Ww/Ww pairing antiparallel cis XIX 
+B2049-B2619 : G-C Ww/Ww pairing antiparallel cis XIX 
+B2050-B2618 : C-G Ww/Ww pairing antiparallel cis XIX 
+B2051-B2609 : A-U Hh/O2P pairing 
+B2051-B2610 : A-C Ss/O2P pairing 
+B2052-B2617 : A-U Ww/Ww pairing antiparallel cis XX 
+B2053-B2616 : G-C Ww/Ww pairing antiparallel cis XIX 
+B2054-B2055 : A-C O2P/Hh adjacent_5p pairing 
+B2054-B2615 : A-U Ww/Ww pairing antiparallel cis XX 
+B2056-B2612 : G-C Ww/Ww pairing antiparallel cis XIX 
+B2057-B2611 : G-C Ww/Ww pairing antiparallel cis XIX 
+B2058-B2068 : A-U Hw/Ws Ss/O2' pairing antiparallel cis one_hbond 
+B2059-B2556 : A-C Bh/O2P pairing 
+B2060-B2447 : A-G Ss/O2P pairing 
+B2060-B2448 : A-A Bh/O2' upward pairing 
+B2060-B2557 : A-G O2'/Bs O2'/Ss pairing 
+B2060-B2558 : A-C O2'/Hh pairing 
+B2061-B2553 : G-G Bs/O2P pairing 
+B2061-B2554 : G-U Ss/O2P pairing 
+B2061-B2557 : G-G O2P/Bs pairing 
+B2062-B2063 : A-C O2P/Bh adjacent_5p pairing 
+B2062-B2064 : A-C O2P/Bh pairing 
+B2063-B2447 : C-G Ww/Ww pairing antiparallel cis XIX 
+B2063-B2553 : C-G Bh/O2' pairing 
+B2064-B2446 : C-G Ww/Ww pairing antiparallel cis XIX 
+B2065-B2440 : C-C O2P/Ww pairing 
+B2065-B2445 : C-G Ww/Ww pairing antiparallel cis XIX 
+B2066-B2440 : C-C O2P/Hh pairing 
+B2066-B2444 : C-G Ww/Ww pairing antiparallel cis XIX 
+B2067-B2068 : G-U O2'/Hh O2'/Ww adjacent_5p pairing 
+B2067-B2443 : G-C Ww/Ww pairing antiparallel cis XIX 
+B2070-B2441 : A-U Ww/Ww pairing antiparallel cis XX 
+B2071-B2438 : A-U Ww/Ww pairing antiparallel cis XX 
+B2072-B2437 : C-G Ww/Ww pairing antiparallel cis XIX 
+B2072-B2439 : C-A O2'/Bh O2'/Hh pairing 
+B2073-B2436 : C-G Ww/Ww pairing antiparallel cis XIX 
+B2074-B2435 : U-A Ww/Ww pairing antiparallel cis XX 
+B2075-B2434 : U-A Ww/Ww pairing antiparallel cis XX 
+B2077-B2243 : A-U Ww/Ww pairing antiparallel cis XX 
+B2077-B2430 : A-A Bh/O2' pairing 
+B2078-B2242 : C-G Ww/Ww pairing antiparallel cis XIX 
+B2079-B2241 : U-A Ww/Ww pairing antiparallel cis XX 
+B2080-B2082 : A-A O2P/Ww pairing 
+B2080-B2240 : A-U Ww/Ww pairing antiparallel cis XX 
+B2081-B2082 : U-A Ww/O2' adjacent_5p pairing 
+B2081-B2239 : U-G Ws/Ws pairing antiparallel cis one_hbond 
+B2083-B2236 : G-U Ws/Ws pairing antiparallel cis one_hbond 
+B2083-B2238 : G-G Sw/Hw pairing parallel cis one_hbond 
+B2084-B2235 : C-G Ww/Ww pairing antiparallel cis XIX 
+B2085-B2234 : U-G Ws/Ws pairing antiparallel cis one_hbond 
+B2086-B2087 : U-G O2'/Hh O2'/C8 adjacent_5p pairing 
+B2087-B2232 : G-C Ww/Ww pairing antiparallel cis XIX 
+B2088-B2231 : A-U Ww/Ww pairing antiparallel cis XX 
+B2089-B2230 : C-G Ww/Ww pairing antiparallel cis XIX 
+B2090-B2229 : A-U Ww/Ww pairing antiparallel cis XX 
+B2091-B2228 : C-G Ww/Ww pairing antiparallel cis XIX 
+B2092-B2227 : U-A Ww/Ww pairing antiparallel cis XX 
+B2093-B2196 : G-C Ww/Ww pairing antiparallel cis XIX 
+B2094-B2195 : A-U Ww/Ww pairing antiparallel cis XX 
+B2095-B2194 : A-U Ww/Ww pairing antiparallel cis XX 
+B2096-B2193 : C-G Ww/Ww pairing antiparallel cis XIX 
+B2097-B2192 : A-U Ww/Ww pairing antiparallel cis XX 
+B2098-B2191 : U-A Ww/Ww pairing antiparallel cis XX 
+B2099-B2190 : U-G Ws/Ws pairing antiparallel cis one_hbond 
+B2100-B2189 : G-U Ws/Ws pairing antiparallel cis one_hbond 
+B2101-B2188 : A-U Ww/Ww pairing antiparallel cis XX 
+B2102-B2187 : G-U Ws/Ws pairing antiparallel cis one_hbond 
+B2103-B2186 : C-G Ww/Ww pairing antiparallel cis XIX 
+B2104-B2112 : C-G O2'/Hh pairing 
+B2105-B2184 : U-A Ww/Ww pairing antiparallel cis XX 
+B2106-B2112 : U-G O2P/Ww pairing 
+B2106-B2183 : U-A Ww/Ww pairing antiparallel cis XX 
+B2107-B2112 : G-G Hh/O2P pairing 
+B2107-B2182 : G-U Ws/Ws pairing antiparallel cis one_hbond 
+B2108-B2112 : A-G Hh/O2P pairing 
+B2108-B2181 : A-U Ww/Ww pairing antiparallel cis XX 
+B2109-B2120 : U-G Hw/Sw pairing parallel trans one_hbond 89 
+B2111-B2112 : U-G Hh/O2P Ww/O2P adjacent_5p downward pairing 
+B2111-B2113 : U-U O2P/Ww pairing 
+B2111-B2178 : U-C O2'/Bh pairing 
+B2112-B2113 : G-U Bs/O2P Bs/O2P pairing 
+B2112-B2177 : G-C Ww/O2P Bs/O2P pairing 
+B2112-B2178 : G-C O2'/Hh Ss/O2P C8/O2P pairing 
+B2113-B2177 : U-C O2P/Bh pairing 
+B2113-B2178 : U-C O2P/Bh pairing 
+B2114-B2115 : A-G O2P/Hh Ss/O2P adjacent_5p pairing 
+B2114-B2121 : A-G Ss/O2P pairing 
+B2115-B2122 : G-U C8/Hw pairing parallel cis one_hbond 
+B2117-B2171 : A-A Ww/O2' Bh/O2' pairing 
+B2117-B2172 : A-U O2'/Ww Ww/O2P pairing 
+B2118-B2172 : U-U O2P/Ww pairing 
+B2120-B2178 : G-C Ww/Ww pairing antiparallel cis XIX 
+B2121-B2177 : G-C Ww/Ww pairing antiparallel cis XIX 
+B2122-B2176 : U-A Ww/Ww pairing antiparallel cis XX 
+B2123-B2175 : G-C Ww/Ww pairing antiparallel cis XIX 
+B2124-B2174 : G-C Ww/Ww pairing antiparallel cis XIX 
+B2127-B2161 : G-C Ww/Ww pairing antiparallel cis XIX 
+B2128-B2160 : G-C Ww/Ww pairing antiparallel cis XIX 
+B2129-B2159 : C-G Ww/Ww pairing antiparallel cis XIX 
+B2133-B2157 : G-G Ww/O2' Bs/O2P pairing 
+B2136-B2155 : G-U Ws/Ws pairing antiparallel cis one_hbond 
+B2137-B2154 : U-A Ww/Ww pairing antiparallel cis XX 
+B2138-B2153 : G-C Ww/Ww pairing antiparallel cis XIX 
+B2140-B2151 : G-U Ws/Ws pairing antiparallel cis one_hbond 
+B2141-B2150 : G-C Ww/Ww pairing antiparallel cis XIX 
+B2142-B2149 : A-U Ww/Ww pairing antiparallel cis XX 
+B2143-B2145 : C-C O2'/Ww O2'/Bh pairing 
+B2143-B2148 : C-G Ww/Ww pairing antiparallel cis XIX 
+B2146-B2147 : C-A O2'/Hh adjacent_5p pairing 
+B2147-B2148 : A-G O2P/Hh adjacent_5p pairing 
+B2156-B2157 : G-G Ss/O2P Ss/O2P adjacent_5p pairing 
+B2161-B2168 : C-G O2'/Ww pairing 
+B2162-B2164 : G-C O2P/Ww pairing 
+B2163-B2164 : A-C Ss/O2P adjacent_5p pairing 
+B2163-B2168 : A-G O2P/Hh pairing 
+B2164-B2165 : C-C O2P/Hh adjacent_5p pairing 
+B2165-B2168 : C-G O2'/Ss O2P/Ww O2P/Bs pairing 
+B2167-B2169 : U-A O2P/Hh pairing 
+B2170-B2172 : A-U Ss/O2P pairing 
+B2179-B2181 : C-U Bh/O2P pairing 
+B2200-B2223 : C-G Ww/Ww pairing antiparallel cis XIX 
+B2201-B2222 : G-C Ww/Ww pairing antiparallel cis XIX 
+B2202-B2221 : U-G Ws/Ws pairing antiparallel cis one_hbond 
+B2204-B2220 : G-U Ws/Ws pairing antiparallel cis one_hbond 
+B2205-B2219 : A-U Ww/Ww pairing antiparallel cis XX 
+B2206-B2218 : C-G Ww/Ww pairing antiparallel cis XIX 
+B2207-B2217 : C-G Ww/Ww pairing antiparallel cis XIX 
+B2208-B2216 : C-G Ww/Ww pairing antiparallel cis XIX 
+B2209-B2215 : G-C Ww/Ww pairing antiparallel cis XIX 
+B2211-B2212 : A-A O2'/Hh adjacent_5p pairing 
+B2224-B2225 : G-A Sw/Hh adjacent_5p pairing parallel cis one_hbond 53 
+B2237-B2238 : G-G O2'/Hh adjacent_5p pairing 
+B2246-B2258 : G-C Ww/Ww pairing antiparallel cis XIX 
+B2247-B2257 : A-U Ww/Ww pairing antiparallel cis XX 
+B2248-B2256 : C-G Ww/Ww pairing antiparallel cis XIX 
+B2249-B2255 : U-G Ws/Ws pairing antiparallel cis one_hbond 
+B2250-B2252 : G-G Bs/O2P pairing 
+B2250-B2254 : G-C Ww/Ww pairing antiparallel cis XIX 
+B2252-B2254 : G-C Hh/O2' pairing 
+B2254-B2429 : C-G O2P/Hh pairing 
+B2259-B2281 : U-A Ww/Ww pairing antiparallel cis XX 
+B2259-B2426 : U-A O2P/Ww pairing 
+B2260-B2280 : C-G Ww/Ww pairing antiparallel cis XIX 
+B2260-B2426 : C-A O2P/Ww pairing 
+B2261-B2279 : C-G Ww/Ww pairing antiparallel cis XIX 
+B2262-B2278 : U-A Ww/Ww pairing antiparallel cis XX 
+B2263-B2277 : C-G Ww/Ww pairing antiparallel cis XIX 
+B2263-B2424 : C-C O2P/Hh pairing 
+B2264-B2276 : C-G Ww/Ww pairing antiparallel cis XIX 
+B2268-B2269 : A-G Ss/O2P adjacent_5p pairing 
+B2273-B2425 : A-A O2P/Hh pairing 
+B2275-B2427 : C-C O2'/Ww pairing 
+B2283-B2387 : C-U Bh/O2' pairing 
+B2283-B2388 : C-A Hh/O2P pairing 
+B2284-B2384 : A-U Ww/Ww pairing antiparallel cis XX 
+B2284-B2388 : A-A Bh/O2' pairing 
+B2284-B2389 : A-G Hh/O2P pairing 
+B2285-B2383 : C-G Ww/Ww pairing antiparallel cis XIX 
+B2286-B2344 : G-U Bs/Bs pairing parallel trans 
+B2287-B2288 : A-A O2'/Hh adjacent_5p pairing 
+B2288-B2344 : A-U Ww/Ww pairing antiparallel cis XX 
+B2289-B2343 : G-U Ws/Ws pairing antiparallel cis one_hbond 
+B2290-B2342 : G-C Ww/Ww pairing antiparallel cis XIX 
+B2290-B2346 : G-A O2'/Bh pairing 
+B2291-B2341 : U-G Ws/Ws pairing antiparallel cis one_hbond 
+B2292-B2340 : U-A Ww/Ww pairing antiparallel cis XX 
+B2293-B2339 : G-C Ww/Ww pairing antiparallel cis XIX 
+B2294-B2338 : G-C Ww/Ww pairing antiparallel cis XIX 
+B2295-B2337 : C-G Ww/Ww pairing antiparallel cis XIX 
+B2296-B2336 : U-A Ww/Ww pairing antiparallel cis XX 
+B2297-B2321 : A-U Ww/Ww pairing antiparallel cis XX 
+B2299-B2317 : U-A Ww/Ww pairing antiparallel cis XX 
+B2300-B2316 : C-G Ww/Ww pairing antiparallel cis XIX 
+B2301-B2315 : C-G Ww/Ww pairing antiparallel cis XIX 
+B2302-B2314 : U-A Ww/Ww pairing antiparallel cis XX 
+B2303-B2313 : G-C Ww/Ww pairing antiparallel cis XIX 
+B2304-B2312 : G-U Ws/Ws pairing antiparallel cis one_hbond 
+B2305-B2308 : U-G O2'/Hh pairing 
+B2318-B2319 : G-G Ss/Ws O2'/Bs adjacent_5p pairing parallel trans one_hbond 
+B2319-B2322 : G-A O2'/Ss O2'/C8 pairing 
+B2323-B2332 : G-C Ww/Ww pairing antiparallel cis XIX 
+B2323-B2333 : G-A Bs/O2' pairing 
+B2324-B2331 : U-G Ws/Ws pairing antiparallel cis one_hbond 
+B2328-B2387 : A-U Ww/Ww pairing antiparallel cis XX 
+B2329-B2386 : U-A Ww/Ww pairing antiparallel cis XX 
+B2330-B2385 : G-C Ww/Ww pairing antiparallel cis XIX 
+B2344-B2381 : U-A O2'/Bh pairing 
+B2345-B2380 : G-C O2P/Ww O2P/Bh O2P/Bh pairing 
+B2345-B2381 : G-A O2P/Hh pairing 
+B2345-B2382 : G-G O2'/Ss Ss/O2' pairing 
+B2346-B2382 : A-G O2P/Bs pairing 
+B2347-B2370 : C-G Ww/Ww pairing antiparallel cis XIX 
+B2347-B2372 : C-U Bh/O2P pairing 
+B2348-B2369 : U-A Ww/Ww pairing antiparallel cis XX 
+B2349-B2368 : G-C Ww/Ww pairing antiparallel cis XIX 
+B2350-B2352 : C-A O2P/Hh pairing 
+B2350-B2367 : C-G Ww/Ww pairing antiparallel cis XIX 
+B2353-B2364 : G-C Ww/Ww pairing antiparallel cis XIX 
+B2354-B2363 : C-G Ww/Ww pairing antiparallel cis XIX 
+B2355-B2362 : G-C Ww/Ww pairing antiparallel cis XIX 
+B2359-B2360 : C-G O2P/Hh adjacent_5p pairing 
+B2361-B2363 : G-G Hh/O2P pairing 
+B2364-B2366 : C-A O2'/Hh O2'/C8 pairing 
+B2365-B2366 : G-A O2P/Ss adjacent_5p pairing 
+B2372-B2381 : U-A Ww/Ww pairing antiparallel cis XX 
+B2373-B2380 : G-C Ww/Ww pairing antiparallel cis XIX 
+B2374-B2379 : C-G Ww/Ww pairing antiparallel cis XIX 
+B2376-B2394 : A-C Ss/O2P pairing 
+B2376-B2396 : A-G Ss/O2P pairing 
+B2376-B2397 : A-G Hh/O2P pairing 
+B2378-B2394 : A-C O2P/Hh pairing 
+B2379-B2393 : G-U O2'/Hh Ss/O2' C8/O2' pairing 
+B2380-B2392 : C-A O2P/Ww pairing 
+B2387-B2388 : U-A O2P/Hh O2P/C8 adjacent_5p pairing 
+B2395-B2421 : C-G Ww/Ww pairing antiparallel cis XIX 
+B2396-B2420 : G-C Ww/Ww pairing antiparallel cis XIX 
+B2397-B2419 : G-U Ws/Ws pairing antiparallel cis one_hbond 
+B2398-B2418 : U-A Ww/Ww pairing antiparallel cis XX 
+B2399-B2417 : G-C Ww/Ww pairing antiparallel cis XIX 
+B2400-B2416 : G-C Ww/Ww pairing antiparallel cis XIX 
+B2401-B2415 : U-G Ws/Ws pairing antiparallel cis one_hbond 
+B2402-B2414 : U-G Ws/Ws pairing antiparallel cis one_hbond 
+B2403-B2413 : C-G Ww/Ww pairing antiparallel cis XIX 
+B2404-B2412 : U-A Ww/Ww pairing antiparallel cis XX 
+B2410-B2411 : G-A O2P/Hh adjacent_5p pairing 
+B2411-B2412 : A-A Ss/O2P adjacent_5p pairing 
+B2433-B2434 : A-A O2P/Hh adjacent_5p pairing 
+B2439-B2440 : A-C Ss/O2P adjacent_5p pairing 
+B2442-B2443 : C-C O2P/Bh upward pairing 
+B2445-B2554 : G-U O2P/Hh pairing 
+B2446-B2557 : G-G O2P/Bs O2P/Ss pairing 
+B2450-B2566 : A-A O2'/Hh pairing 
+B2451-B2563 : A-U O2P/Ww outward pairing 
+B2452-B2517 : C-C Hh/O2' pairing 
+B2453-B2454 : A-G Ss/O2P adjacent_5p pairing 
+B2454-B2647 : G-U Bs/O2P pairing 
+B2455-B2496 : G-C Ww/Ww pairing antiparallel cis XIX 
+B2455-B2500 : G-U C8/Wh O2P/Ww pairing parallel cis one_hbond 
+B2455-B2665 : G-A Ww/O2' Ss/O2' pairing 
+B2456-B2495 : C-G Ww/Ww pairing antiparallel cis XIX 
+B2457-B2494 : U-G Ws/Ws pairing antiparallel cis one_hbond 
+B2458-B2492 : G-U Ws/Ws pairing antiparallel cis one_hbond 
+B2459-B2491 : A-U Ww/Ww pairing antiparallel cis XX 
+B2460-B2490 : U-G Ws/Ws pairing antiparallel cis one_hbond 
+B2461-B2482 : A-A O2P/Bh O2P/Ww pairing 
+B2461-B2489 : A-U Ww/Ww pairing antiparallel cis XX 
+B2462-B2482 : C-A O2P/Ww O2P/Bh pairing 
+B2462-B2488 : C-G Ww/Ww pairing antiparallel cis XIX 
+B2463-B2487 : C-G Ww/Ww pairing antiparallel cis XIX 
+B2464-B2486 : G-C Ww/Ww pairing antiparallel cis XIX 
+B2465-B2468 : C-A O2P/Ss O2P/C8 pairing 
+B2465-B2485 : C-G Ww/Ww pairing antiparallel cis XIX 
+B2466-B2469 : C-A O2P/Hh O2P/Bh pairing 
+B2466-B2484 : C-G Ww/Ww pairing antiparallel cis XIX 
+B2470-B2480 : G-C Ww/Ww pairing antiparallel cis XIX 
+B2471-B2472 : A-G O2'/Hh adjacent_5p pairing 
+B2471-B2479 : A-U Ww/Ww pairing antiparallel cis XX 
+B2481-B2482 : G-A Ss/O2P adjacent_5p pairing 
+B2481-B2484 : G-G O2'/Hh pairing 
+B2487-B2505 : G-G Sw/Hh pairing parallel cis one_hbond 109 
+B2488-B2505 : G-G O2'/C8 pairing 
+B2488-B2575 : G-C O2P/Bh pairing 
+B2489-B2501 : U-C O2P/Hh pairing 
+B2489-B2575 : U-C O2P/Bh pairing 
+B2491-B2766 : U-A O2P/Hh pairing 
+B2496-B2497 : C-A Ss/C8 adjacent_5p pairing antiparallel trans one_hbond 
+B2497-B2657 : A-A O2'/Ww O2'/Bh pairing 
+B2497-B2662 : A-A O2P/Bh pairing 
+B2497-B2663 : A-G O2P/Bs pairing 
+B2497-B2665 : A-A O2'/C8 pairing 
+B2501-B2575 : C-C Ww/Wh pairing antiparallel cis one_hbond 131 
+B2502-B2769 : G-U Ww/O2P Bs/O2P Ss/O2P pairing 
+B2504-B2580 : U-U Ww/Hh pairing antiparallel trans 81 
+B2505-B2506 : G-U Hh/O2P C8/O2P pairing 
+B2506-B2582 : U-G Ws/Ws pairing antiparallel cis one_hbond 
+B2507-B2581 : C-G Ww/Ww pairing antiparallel cis XIX 
+B2508-B2580 : G-U Ws/Ws pairing antiparallel cis one_hbond 
+B2509-B2579 : G-C Ww/Ww pairing antiparallel cis XIX 
+B2510-B2578 : C-G Ww/Ww pairing antiparallel cis XIX 
+B2511-B2577 : U-A Ww/Ww pairing antiparallel cis XX 
+B2512-B2576 : C-G Ww/Ww pairing antiparallel cis XIX 
+B2513-B2571 : A-U Ww/Ww pairing antiparallel cis XX 
+B2514-B2570 : U-G Ws/Ws pairing antiparallel cis one_hbond 
+B2515-B2569 : C-G Ww/Ww pairing antiparallel cis XIX 
+B2516-B2568 : A-U Ww/Ww pairing antiparallel cis XX 
+B2517-B2567 : C-G Ww/Ww pairing antiparallel cis XIX 
+B2518-B2546 : A-U Ww/Ww pairing antiparallel cis XX 
+B2518-B2563 : A-U Hh/O2P pairing 
+B2519-B2545 : U-G Ws/Ws pairing antiparallel cis one_hbond 
+B2520-B2544 : C-G Ww/Ww pairing antiparallel cis XIX 
+B2521-B2543 : C-G Ww/Ww pairing antiparallel cis XIX 
+B2522-B2541 : U-A Ww/Ww pairing antiparallel cis XX 
+B2523-B2540 : G-C Ww/Ww pairing antiparallel cis XIX 
+B2524-B2539 : G-C Ww/Ww pairing antiparallel cis XIX 
+B2525-B2538 : G-C Ww/Ww pairing antiparallel cis XIX 
+B2526-B2537 : G-U Ws/Ws pairing antiparallel cis one_hbond 
+B2527-B2536 : C-G Ww/Ww pairing antiparallel cis XIX 
+B2528-B2529 : U-G O2P/Hh adjacent_5p pairing 
+B2528-B2535 : U-G Ws/Ws pairing antiparallel cis one_hbond 
+B2529-B2530 : G-A O2'/Hh adjacent_5p pairing 
+B2529-B2532 : G-G Ww/O2P Bs/O2P pairing 
+B2543-B2610 : G-C O2P/Ww pairing 
+B2545-B2564 : G-A O2P/Hh pairing 
+B2547-B2561 : A-U Ww/Ww pairing antiparallel cis XX 
+B2548-B2560 : U-A Ww/Ww pairing antiparallel cis XX 
+B2549-B2559 : G-C Ww/Ww pairing antiparallel cis XIX 
+B2550-B2558 : G-C Ww/Ww pairing antiparallel cis XIX 
+B2551-B2557 : C-G Ww/Ww pairing antiparallel cis XIX 
+B2552-B2553 : U-G O2P/Hh adjacent_5p pairing 
+B2555-B2557 : U-G O2P/Hh pairing 
+B2556-B2558 : C-C Hh/O2P pairing 
+B2563-B2566 : U-A Ww/O2P pairing 
+B2572-B2674 : A-G O2P/Bs pairing 
+B2574-B2768 : G-U Ww/O2P pairing 
+B2582-B2583 : G-G O2P/Hh adjacent_5p pairing 
+B2587-B2588 : A-G Ss/O2P adjacent_5p pairing 
+B2588-B2606 : G-C Ww/Ww pairing antiparallel cis XIX 
+B2589-B2605 : A-U Ww/Ww pairing antiparallel cis XX 
+B2590-B2604 : A-U Ww/Ww pairing antiparallel cis XX 
+B2591-B2603 : C-G Ww/Ww pairing antiparallel cis XIX 
+B2592-B2601 : G-C Ww/Ww pairing antiparallel cis XIX 
+B2593-B2600 : U-A Ww/Ww pairing antiparallel cis XX 
+B2594-B2599 : C-G Ww/Ww pairing antiparallel cis XIX 
+B2607-B2608 : G-G Hh/O2P adjacent_5p pairing 
+B2630-B2788 : G-C Ww/Ww pairing antiparallel cis XIX 
+B2631-B2787 : G-C Ww/Ww pairing antiparallel cis XIX 
+B2632-B2786 : A-U Ww/Ww pairing antiparallel cis XX 
+B2633-B2785 : G-C Ww/Ww pairing antiparallel cis XIX 
+B2634-B2784 : A-U Ww/Ww pairing antiparallel cis XX 
+B2635-B2783 : A-U Ww/Ww pairing antiparallel cis XX 
+B2636-B2782 : C-G Ww/Ww pairing antiparallel cis XIX 
+B2637-B2777 : U-G O2'/Ss pairing 
+B2637-B2781 : U-A Ww/Ww pairing antiparallel cis XX 
+B2638-B2732 : G-G Ww/O2' Bs/O2' pairing 
+B2638-B2771 : G-C Ww/O2P Bs/O2P pairing 
+B2638-B2777 : G-G O2'/Bs pairing 
+B2639-B2641 : A-G Hh/O2P inward pairing 
+B2639-B2642 : A-G Bs/Hw Bh/O2P pairing antiparallel trans one_hbond 
+B2639-B2731 : A-G Bh/O2P Hh/O2P pairing 
+B2639-B2732 : A-G Ww/O2P Ss/O2P pairing 
+B2639-B2777 : A-G O2'/Hh pairing 
+B2640-B2774 : G-C Ww/Ww pairing antiparallel cis XIX 
+B2641-B2773 : G-C Ww/Ww pairing antiparallel cis XIX 
+B2642-B2772 : G-C Ww/Ww pairing antiparallel cis XIX 
+B2643-B2771 : G-C Ww/Ww pairing antiparallel cis XIX 
+B2644-B2673 : G-G Hh/O2P pairing 
+B2644-B2674 : G-G O2'/Hh pairing 
+B2646-B2674 : C-G Ww/Ww pairing antiparallel cis XIX 
+B2647-B2673 : U-G Ws/Ws pairing antiparallel cis one_hbond 
+B2648-B2672 : G-U Ws/Ws pairing antiparallel cis one_hbond 
+B2649-B2671 : C-G Ww/Ww pairing antiparallel cis XIX 
+B2650-B2670 : U-A Ww/Ww pairing antiparallel cis XX 
+B2651-B2669 : C-G Ww/Ww pairing antiparallel cis XIX 
+B2652-B2668 : C-G Ww/Ww pairing antiparallel cis XIX 
+B2654-B2666 : A-C Hh/Wh pairing parallel trans one_hbond 69 
+B2655-B2665 : G-A Ww/O2P Bs/O2P pairing 
+B2656-B2665 : U-A Ws/Hh pairing antiparallel trans XXIV 
+B2657-B2658 : A-C O2P/Bh adjacent_5p upward pairing 
+B2657-B2664 : A-G Hh/Ss Bh/O2' pairing antiparallel trans XI 
+B2658-B2663 : C-G Ww/Ww pairing antiparallel cis XIX 
+B2659-B2661 : G-G O2'/Hh pairing 
+B2659-B2662 : G-A Ss/Hh O2'/Bh pairing antiparallel trans XI 
+B2667-B2668 : C-G O2'/C8 adjacent_5p pairing 
+B2675-B2677 : A-G Ss/O2P pairing 
+B2676-B2731 : C-G Ww/Ww pairing antiparallel cis XIX 
+B2677-B2730 : G-C Ww/Ww pairing antiparallel cis XIX 
+B2678-B2729 : C-G Ww/Ww pairing antiparallel cis XIX 
+B2679-B2728 : A-U Ww/Ww pairing antiparallel cis XX 
+B2680-B2727 : U-A Ww/Ww pairing antiparallel cis XX 
+B2681-B2684 : C-U Wh/Hw pairing parallel cis one_hbond 103 
+B2682-B2688 : A-G Hh/O2' C8/O2' outward pairing 
+B2682-B2721 : A-A Ss/O2P pairing 
+B2683-B2684 : C-U Ws/Hh adjacent_5p pairing parallel cis one_hbond 
+B2683-B2721 : C-A O2P/Ss pairing 
+B2685-B2687 : G-U Hh/O2P pairing 
+B2685-B2722 : G-G O2'/Ss pairing 
+B2685-B2723 : G-C Ss/O2P pairing 
+B2686-B2687 : G-U Ww/O2' adjacent_5p pairing 
+B2686-B2729 : G-G Bs/O2' pairing 
+B2688-B2724 : G-U Hh/O2' pairing 
+B2688-B2725 : G-A C8/O2P inward pairing 
+B2690-B2727 : U-A O2'/Hh pairing 
+B2691-B2718 : C-G Ww/Ww pairing antiparallel cis XIX 
+B2692-B2717 : G-C Ww/Ww pairing antiparallel cis XIX 
+B2693-B2716 : G-C Ww/Ww pairing antiparallel cis XIX 
+B2694-B2715 : G-C Ww/Ww pairing antiparallel cis XIX 
+B2695-B2714 : U-G Ws/Ws pairing antiparallel cis one_hbond 
+B2696-B2711 : U-A Ww/Ww pairing antiparallel cis XX 
+B2697-B2710 : G-C Ww/Ww pairing antiparallel cis XIX 
+B2698-B2709 : U-G Ws/Ws pairing antiparallel cis one_hbond 
+B2699-B2708 : C-G Ww/Ww pairing antiparallel cis XIX 
+B2700-B2707 : A-U Ww/Ww pairing antiparallel cis XX 
+B2701-B2706 : U-A Ww/Ww pairing antiparallel cis XX 
+B2704-B2706 : C-A O2P/Bh pairing 
+B2712-B2713 : C-U O2P/Hh adjacent_5p pairing 
+B2714-B2726 : G-A O2P/Bh pairing 
+B2719-B2721 : G-A O2P/Bh O2P/Hh pairing 
+B2724-B2725 : U-A O2'/Ww adjacent_5p pairing 
+B2733-B2772 : A-C O2P/Bh pairing 
+B2733-B2778 : A-A Hh/C8 pairing antiparallel cis one_hbond 
+B2734-B2776 : A-A C8/O2' pairing 
+B2735-B2769 : G-U Ws/Ws pairing antiparallel cis one_hbond 
+B2735-B2775 : G-G C8/Bh pairing parallel trans one_hbond 
+B2736-B2768 : A-U Ww/Ww pairing antiparallel cis XX 
+B2737-B2767 : G-C Ww/Ww pairing antiparallel cis XIX 
+B2738-B2741 : A-A O2P/Hh O2P/C8 pairing 
+B2740-B2741 : A-A Ss/O2P adjacent_5p pairing 
+B2740-B2742 : A-G C8/O2P pairing 
+B2741-B2742 : A-G O2P/Hh adjacent_5p pairing 
+B2742-B2762 : G-C Ww/Ww pairing antiparallel cis XIX 
+B2743-B2761 : U-A Ww/Ww pairing antiparallel cis XX 
+B2744-B2760 : G-C Ww/Ww pairing antiparallel cis XIX 
+B2745-B2759 : C-G Ww/Ww pairing antiparallel cis XIX 
+B2746-B2747 : U-G O2P/Hh adjacent_5p pairing 
+B2746-B2758 : U-A Ww/Ww pairing antiparallel cis XX 
+B2747-B2748 : G-A O2'/Ss adjacent_5p pairing 
+B2762-B2765 : C-A O2'/Ww pairing 
+B2763-B2765 : G-A O2'/Hh Bs/O2P pairing 
+B2764-B2765 : A-A O2P/Bh O2P/Hh adjacent_5p pairing 
+B2770-B2772 : G-C Hh/O2P pairing 
+B2776-B2778 : A-A Bh/O2P pairing 
+B2777-B2778 : G-A Bs/O2' adjacent_5p pairing 
+B2789-B2890 : C-G Bh/O2' pairing 
+B2791-B2805 : G-C Ww/Ww pairing antiparallel cis XIX 
+B2791-B2891 : G-U Hh/O2' pairing 
+B2792-B2804 : A-U Ww/Ww pairing antiparallel cis XX 
+B2793-B2803 : C-G Ww/Ww pairing antiparallel cis XIX 
+B2794-B2802 : C-G Ww/Ww pairing antiparallel cis XIX 
+B2795-B2801 : C-G Ww/Ww pairing antiparallel cis XIX 
+B2796-B2800 : U-A Ww/Ww pairing antiparallel cis XX 
+B2798-B2799 : U-A O2'/Hh adjacent_5p pairing 
+B2798-B2800 : U-A O2P/Ss pairing 
+B2798-B2894 : U-G O2'/Bs pairing 
+B2799-B2800 : A-A O2P/Bh O2P/Hh adjacent_5p pairing 
+B2799-B2894 : A-G Ss/O2P pairing 
+B2805-B2806 : C-C O2P/Bh adjacent_5p pairing 
+B2806-B2807 : C-U Hh/O2' adjacent_5p pairing 
+B2808-B2890 : G-G O2P/Ww O2P/Bs pairing 
+B2809-B2810 : A-A O2'/Ss adjacent_5p pairing 
+B2811-B2889 : G-C Ww/Ww pairing antiparallel cis XIX 
+B2812-B2888 : G-C Ww/Ww pairing antiparallel cis XIX 
+B2813-B2833 : A-U Ww/Ww pairing antiparallel cis XX 
+B2814-B2832 : A-U Ww/Ww pairing antiparallel cis XX 
+B2815-B2831 : C-G Ww/Ww pairing antiparallel cis XIX 
+B2816-B2830 : G-C Ww/Ww pairing antiparallel cis XIX 
+B2817-B2829 : U-A Ww/Ww pairing antiparallel cis XX 
+B2818-B2820 : U-A O2P/Bh pairing 
+B2818-B2821 : U-A O2P/Bh pairing 
+B2818-B2828 : U-G Ws/Ws pairing antiparallel cis one_hbond 
+B2819-B2820 : G-A O2P/Hh adjacent_5p pairing 
+B2819-B2821 : G-A O2P/Bh pairing 
+B2819-B2827 : G-C Ww/Ww pairing antiparallel cis XIX 
+B2821-B2822 : A-G O2'/Ss O2'/C8 Ss/O2P adjacent_5p pairing 
+B2821-B2823 : A-A C8/O2P pairing 
+B2834-B2879 : G-A O2'/Bh pairing 
+B2835-B2879 : A-A O2P/Bh pairing 
+B2836-B2882 : U-A Ww/Ww pairing antiparallel cis XX 
+B2836-B2885 : U-G Ws/Sw pairing parallel trans one_hbond 
+B2837-B2881 : A-U Ww/Ww pairing antiparallel cis XX 
+B2838-B2880 : G-C Ww/Ww pairing antiparallel cis XIX 
+B2839-B2878 : G-U Ws/Ws pairing antiparallel cis one_hbond 
+B2840-B2877 : C-G Ww/Ww pairing antiparallel cis XIX 
+B2841-B2876 : C-G Ww/Ww pairing antiparallel cis XIX 
+B2842-B2875 : G-C Ww/Ww pairing antiparallel cis XIX 
+B2843-B2847 : G-U Hw/Ww pairing parallel trans one_hbond 
+B2843-B2874 : G-C Ww/Ww pairing antiparallel cis XIX 
+B2844-B2866 : G-U Hh/O2P pairing 
+B2845-B2848 : U-G O2'/Hh O2P/Ww pairing 
+B2846-B2848 : G-G O2P/Ss O2'/Hh pairing 
+B2847-B2848 : U-G O2P/Ww adjacent_5p pairing 
+B2847-B2875 : U-C Wh/Wh pairing antiparallel cis one_hbond 
+B2848-B2872 : G-A C8/O2P pairing 
+B2848-B2874 : G-C O2P/Bh pairing 
+B2849-B2872 : U-A Hh/O2' pairing 
+B2851-B2866 : A-U Ww/Ww pairing antiparallel cis XX 
+B2851-B2872 : A-A O2P/Hh pairing 
+B2852-B2865 : G-U Ws/Ws pairing antiparallel cis one_hbond 
+B2853-B2864 : C-G Ww/Ww pairing antiparallel cis XIX 
+B2854-B2863 : G-C Ww/Ww pairing antiparallel cis XIX 
+B2855-B2862 : C-G Ww/Ww pairing antiparallel cis XIX 
+B2856-B2858 : A-C C8/O2P pairing 
+B2856-B2861 : A-U Ww/Ww pairing antiparallel cis XX 
+B2866-B2867 : U-G O2'/Bs O2'/Ss adjacent_5p pairing 
+B2867-B2868 : G-A O2'/Ss adjacent_5p pairing 
+B2869-B2870 : G-C Bs/O2P Ss/O2P adjacent_5p pairing 
+B2869-B2873 : G-A Hh/O2' pairing 
+B2879-B2882 : A-A Hh/Hw pairing antiparallel cis one_hbond 36 
+B2879-B2886 : A-A Ww/O2' pairing 
+B2882-B2886 : A-A Hh/O2P pairing 
+B2883-B2886 : A-A Ww/O2P pairing 
+B2883-B2890 : A-G O2'/C8 pairing 
+B2884-B2887 : U-A O2P/Bh O2P/Hh upward pairing 
+B2884-B2888 : U-C Wh/Hw pairing parallel cis one_hbond 
+B2884-B2889 : U-C Hw/Hw pairing parallel cis one_hbond 101 
+B2885-B2889 : G-C Hh/O2P pairing 
+B2887-B2889 : A-C Ww/O2P Ss/O2P pairing 
+B2887-B2890 : A-G Bh/O2' pairing 
+B2894-B2895 : G-G Hh/O2' adjacent_5p pairing 
+B2901-B2903 : C-U O2P/Hh pairing 
+B2902-B2903 : C-U Bh/O2' adjacent_5p pairing 
+B2902-B2904 : C-U Bh/O2P pairing 
diff --git a/MCdata/1c2x_MC b/MCdata/1c2x_MC
new file mode 100644
index 0000000000000000000000000000000000000000..486cc066c08975c15c87caeb9b63875fc14b3e07
--- /dev/null
+++ b/MCdata/1c2x_MC
@@ -0,0 +1,241 @@
+Residue conformations -------------------------------------------
+C1 : U C3p_endo anti
+C2 : G C3p_endo anti
+C3 : C C3p_endo anti
+C4 : C C3p_endo anti
+C5 : U C3p_endo anti
+C6 : G C3p_endo anti
+C7 : G C3p_endo anti
+C8 : C C3p_endo anti
+C9 : G C3p_endo anti
+C10 : G C3p_endo anti
+C11 : C C3p_endo anti
+C12 : C C3p_endo anti
+C13 : G C3p_endo anti
+C14 : U C3p_endo anti
+C15 : A C3p_endo anti
+C16 : G C3p_endo anti
+C17 : C C3p_endo anti
+C18 : G C3p_endo anti
+C19 : C C3p_endo anti
+C20 : G C3p_endo anti
+C21 : G C3p_endo anti
+C22 : U C3p_endo anti
+C23 : G C3p_endo anti
+C24 : G C3p_endo anti
+C25 : U C3p_endo anti
+C26 : C C3p_endo anti
+C27 : C C3p_endo anti
+C28 : C C3p_endo anti
+C29 : A C3p_endo anti
+C30 : C C3p_endo anti
+C31 : C C3p_endo anti
+C32 : U C3p_endo anti
+C33 : G C3p_endo anti
+C34 : A C3p_endo anti
+C35 : C C3p_endo anti
+C36 : C C3p_endo anti
+C37 : C C3p_endo anti
+C38 : C C3p_endo anti
+C39 : A C3p_endo anti
+C40 : U C3p_endo anti
+C41 : G C3p_endo anti
+C42 : C C3p_endo anti
+C43 : C C3p_endo anti
+C44 : G C3p_endo anti
+C45 : A C3p_endo anti
+C46 : A C3p_endo anti
+C47 : C C3p_endo anti
+C48 : U C3p_endo anti
+C49 : C C3p_endo anti
+C50 : A C3p_endo anti
+C51 : G C3p_endo anti
+C52 : A C3p_endo anti
+C53 : A C3p_endo anti
+C54 : G C3p_endo anti
+C55 : U C3p_endo anti
+C56 : G C3p_endo anti
+C57 : A C3p_endo syn
+C58 : A C3p_endo anti
+C59 : A C3p_endo anti
+C60 : C C3p_endo anti
+C61 : G C3p_endo anti
+C62 : C C3p_endo anti
+C63 : C C3p_endo anti
+C64 : G C3p_endo anti
+C65 : U C3p_endo anti
+C66 : A C3p_endo anti
+C67 : G C3p_endo anti
+C68 : C C3p_endo anti
+C69 : G C3p_endo anti
+C70 : C C3p_endo anti
+C71 : C C3p_endo anti
+C72 : G C3p_endo anti
+C73 : A C2p_exo anti
+C74 : U C3p_endo anti
+C75 : G C3p_endo anti
+C76 : G C3p_endo anti
+C77 : U C3p_endo anti
+C78 : A C3p_endo anti
+C79 : G C3p_endo anti
+C80 : U C3p_endo anti
+C81 : G C3p_endo anti
+C82 : U C3p_endo anti
+C83 : G C3p_endo anti
+C84 : G C3p_endo anti
+C85 : G C3p_endo anti
+C86 : G C3p_endo anti
+C87 : U C4p_exo anti
+C88 : C C2p_endo anti
+C89 : U C3p_endo anti
+C90 : C C2p_exo anti
+C91 : C C3p_endo anti
+C92 : C C3p_endo anti
+C93 : C C3p_endo anti
+C94 : A C3p_endo anti
+C95 : U C3p_endo anti
+C96 : G C3p_endo anti
+C97 : C C3p_endo anti
+C98 : G C3p_endo anti
+C99 : A C2p_exo anti
+C100 : G C3p_endo anti
+C101 : A C2p_exo anti
+C102 : G C3p_endo anti
+C103 : U C3p_endo anti
+C104 : A C3p_endo anti
+C105 : G C3p_endo anti
+C106 : G C3p_endo anti
+C107 : G C3p_endo anti
+C108 : A C3p_endo anti
+C109 : A C3p_endo anti
+C110 : C C3p_endo anti
+C111 : U C3p_endo anti
+C112 : G C3p_endo anti
+C113 : C C3p_endo anti
+C114 : C C3p_endo anti
+C115 : A C3p_endo anti
+C116 : G C3p_endo anti
+C117 : G C3p_endo anti
+C118 : C C3p_endo anti
+C119 : A C3p_endo anti
+C120 : U C3p_endo anti
+Adjacent stackings ----------------------------------------------
+C2-C3 : adjacent_5p upward 
+C6-C7 : adjacent_5p upward 
+C7-C8 : adjacent_5p upward 
+C9-C10 : adjacent_5p upward 
+C16-C17 : adjacent_5p upward 
+C17-C18 : adjacent_5p upward 
+C18-C19 : adjacent_5p upward 
+C20-C21 : adjacent_5p upward 
+C21-C22 : adjacent_5p upward 
+C33-C34 : adjacent_5p upward 
+C50-C51 : adjacent_5p upward 
+C61-C62 : adjacent_5p upward 
+C64-C65 : adjacent_5p upward 
+C67-C68 : adjacent_5p upward 
+C71-C72 : adjacent_5p upward 
+C73-C74 : adjacent_5p upward 
+C76-C77 : adjacent_5p upward 
+C77-C78 : adjacent_5p upward 
+C78-C79 : adjacent_5p upward 
+C79-C80 : adjacent_5p upward 
+C81-C82 : adjacent_5p upward 
+C82-C83 : adjacent_5p upward 
+C83-C84 : adjacent_5p upward 
+C84-C85 : adjacent_5p upward 
+C85-C86 : adjacent_5p upward 
+C93-C94 : adjacent_5p upward 
+C94-C95 : adjacent_5p upward 
+C96-C97 : adjacent_5p upward 
+C97-C98 : adjacent_5p upward 
+C99-C100 : adjacent_5p upward 
+C100-C101 : adjacent_5p upward 
+C101-C102 : adjacent_5p upward 
+C102-C103 : adjacent_5p upward 
+C103-C104 : adjacent_5p upward 
+C104-C105 : adjacent_5p upward 
+C105-C106 : adjacent_5p upward 
+C112-C113 : adjacent_5p upward 
+C115-C116 : adjacent_5p upward 
+C116-C117 : adjacent_5p upward 
+C117-C118 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+C2-C119 : outward 
+C6-C115 : outward 
+C9-C112 : outward 
+C18-C67 : outward 
+C20-C64 : outward 
+C23-C61 : outward 
+C33-C50 : outward 
+C73-C104 : outward 
+C78-C99 : outward 
+C81-C96 : outward 
+C83-C94 : outward 
+Number of stackings = 51
+Number of adjacent stackings = 40
+Number of non adjacent stackings = 11
+Base-pairs ------------------------------------------------------
+C1-C119 : U-A Ww/Ww pairing antiparallel cis XX 
+C2-C118 : G-C Ww/Ww pairing antiparallel cis XIX 
+C3-C117 : C-G Ww/Ww pairing antiparallel cis XIX 
+C4-C116 : C-G Ww/Ww pairing antiparallel cis XIX 
+C5-C115 : U-A Ww/Ww pairing antiparallel cis XX 
+C6-C23 : G-G O2P/Bs O2P/Ss pairing 
+C6-C114 : G-C Ww/Ww pairing antiparallel cis XIX 
+C7-C113 : G-C Ww/Ww pairing antiparallel cis XIX 
+C8-C112 : C-G Ww/Ww pairing antiparallel cis XIX 
+C9-C111 : G-U Ws/Ws pairing antiparallel cis one_hbond 
+C10-C110 : G-C Ww/Ww pairing antiparallel cis XIX 
+C11-C12 : C-C O2P/Hh adjacent_5p pairing 
+C12-C15 : C-A Bh/O2' pairing 
+C15-C60 : A-C Ww/O2P Bh/O2P Bh/O2P pairing 
+C16-C66 : G-A Hw/Wh pairing antiparallel trans one_hbond 64 
+C16-C68 : G-C Ww/Ww pairing antiparallel cis XIX 
+C17-C59 : C-A O2P/Ww O2P/Bh pairing 
+C17-C67 : C-G Ww/Ww pairing antiparallel cis XIX 
+C18-C59 : G-A O2P/Ww pairing 
+C18-C65 : G-U Ws/Ws pairing antiparallel cis one_hbond 
+C19-C64 : C-G Ww/Ww pairing antiparallel cis XIX 
+C20-C63 : G-C Ww/Ww pairing antiparallel cis XIX 
+C21-C62 : G-C Ww/Ww pairing antiparallel cis XIX 
+C22-C61 : U-G Ws/Ws pairing antiparallel cis one_hbond 
+C23-C60 : G-C Ww/Ww pairing antiparallel cis XIX 
+C24-C25 : G-U Sw/Ss adjacent_5p pairing antiparallel cis one_hbond 
+C24-C56 : G-G C8/O2P pairing 
+C25-C31 : U-C Ww/O2' pairing 
+C25-C60 : U-C O2P/Bh pairing 
+C29-C32 : A-U Hh/O2P pairing 
+C31-C51 : C-G Ww/Ww pairing antiparallel cis XIX 
+C31-C58 : C-A O2P/Hh O2P/C8 pairing 
+C32-C50 : U-A Ww/Ww pairing antiparallel cis XX 
+C32-C55 : U-U O2'/Ww pairing 
+C33-C49 : G-C Ww/Ww pairing antiparallel cis XIX 
+C34-C48 : A-U Ww/Ww pairing antiparallel cis XX 
+C39-C40 : A-U O2P/Hh adjacent_5p pairing 
+C42-C44 : C-G Bs/C8 pairing antiparallel cis one_hbond 
+C47-C51 : C-G Wh/Hw pairing parallel cis one_hbond 
+C51-C53 : G-A O2P/Bh O2P/Hh pairing 
+C51-C57 : G-A Hw/C8 Ww/O2' pairing parallel cis one_hbond 
+C66-C67 : A-G O2'/Hh adjacent_5p pairing 
+C68-C69 : C-G O2P/C8 adjacent_5p pairing 
+C70-C106 : C-G Ww/Ww pairing antiparallel cis XIX 
+C71-C105 : C-G Ww/Ww pairing antiparallel cis XIX 
+C72-C102 : G-G Hh/O2P pairing 
+C72-C103 : G-U Ww/O2P Bs/O2P pairing 
+C72-C104 : G-A Ss/Hh pairing antiparallel trans XI 
+C73-C103 : A-U Hh/Ws pairing antiparallel trans XXIV 
+C74-C102 : U-G Hh/Ww pairing antiparallel trans one_hbond 91 
+C75-C76 : G-G Ww/O2' Bs/O2' pairing 
+C76-C100 : G-G Ww/Bh pairing antiparallel trans 115 
+C77-C99 : U-A Ws/Hh pairing antiparallel trans XXIV 
+C78-C98 : A-G Hh/Ss Bh/O2' pairing antiparallel trans XI 
+C79-C97 : G-C Ww/Ww pairing antiparallel cis XIX 
+C80-C96 : U-G Ws/Ww pairing antiparallel cis XXVIII 
+C81-C95 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+C82-C94 : U-A Ww/Ww pairing antiparallel cis XX 
+C83-C93 : G-C Ww/Ww pairing antiparallel cis XIX 
+C84-C92 : G-C Ww/Ww pairing antiparallel cis XIX 
+C85-C91 : G-C Ww/Ww pairing antiparallel cis XIX 
+C86-C90 : G-C Bs/Ww pairing antiparallel cis 128 
+C89-C90 : U-C O2P/Ww O2P/Bh adjacent_5p pairing 
diff --git a/MCdata/1c4l_MC b/MCdata/1c4l_MC
new file mode 100644
index 0000000000000000000000000000000000000000..aa375cacb82f23d9c56835609a334c8dc5c2e9e8
--- /dev/null
+++ b/MCdata/1c4l_MC
@@ -0,0 +1,49 @@
+Residue conformations -------------------------------------------
+A1 : C C4p_exo anti
+A2 : G C3p_endo anti
+A3 : A C3p_endo anti
+A4 : C C3p_endo anti
+A5 : U C3p_endo anti
+A6 : C C3p_endo anti
+A7 : A C3p_endo anti
+A8 : G C3p_endo anti
+A9 : G C3p_endo anti
+B10 : C C4p_exo anti
+B11 : C C3p_endo anti
+B12 : U C4p_exo anti
+B13 : G C3p_endo anti
+B14 : C C2p_exo anti
+B15 : G C4p_exo anti
+B16 : U C3p_endo anti
+B17 : C O4p_endo anti
+B18 : G C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+B10-B11 : adjacent_5p upward 
+B11-B12 : adjacent_5p upward 
+B12-B13 : adjacent_5p upward 
+B13-B14 : adjacent_5p upward 
+B14-B15 : adjacent_5p upward 
+B15-B16 : adjacent_5p upward 
+B17-B18 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A2-B18 : outward 
+A7-B13 : outward 
+Number of stackings = 16
+Number of adjacent stackings = 14
+Number of non adjacent stackings = 2
+Base-pairs ------------------------------------------------------
+A1-B18 : C-G Ww/Ww pairing antiparallel cis XIX 
+A2-B17 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-B16 : A-U Ww/Ww pairing antiparallel cis XX 
+A4-B15 : C-G Ww/Ww pairing antiparallel cis XIX 
+A6-B13 : C-G Ww/Ww pairing antiparallel cis XIX 
+A7-B12 : A-U Ww/Ww pairing antiparallel cis XX 
+A8-B11 : G-C Ww/Ww pairing antiparallel cis XIX 
+A9-B10 : G-C Ww/Ww pairing antiparallel cis XIX 
diff --git a/MCdata/1c9s_MC b/MCdata/1c9s_MC
new file mode 100644
index 0000000000000000000000000000000000000000..119026353fc8e6a7360d63eedee63f481165a4aa
--- /dev/null
+++ b/MCdata/1c9s_MC
@@ -0,0 +1,2899 @@
+Residue conformations -------------------------------------------
+W101 : G C3p_endo anti
+W102 : A C2p_exo anti
+W103 : U C2p_endo anti
+W104 : G C2p_endo anti
+W105 : A C3p_endo anti
+W106 : G C3p_endo anti
+W107 : A C3p_endo anti
+W108 : U C2p_endo anti
+W109 : G C2p_endo anti
+W110 : A C3p_endo anti
+W111 : G C3p_endo anti
+W112 : A C3p_endo anti
+W113 : U C2p_endo anti
+W114 : G C2p_endo anti
+W115 : A C3p_endo anti
+W116 : G C4p_exo anti
+W117 : A C3p_endo anti
+W118 : U C2p_endo anti
+W119 : G C1p_exo anti
+W120 : A C3p_endo anti
+W121 : G C3p_endo anti
+W122 : A C3p_endo anti
+W123 : U C2p_endo anti
+W124 : G C2p_endo anti
+W125 : A C3p_endo anti
+W126 : G C3p_endo anti
+W127 : A C2p_exo anti
+W128 : U C2p_endo syn
+W129 : G C3p_exo anti
+W130 : A C3p_endo anti
+W131 : G C3p_endo anti
+W132 : A C3p_endo anti
+W133 : U C2p_endo anti
+W134 : G C2p_endo anti
+W135 : A C3p_endo anti
+W136 : G C3p_endo anti
+W137 : A C3p_endo anti
+W138 : U C2p_endo anti
+W139 : G C2p_endo anti
+W140 : A C3p_endo anti
+W141 : G C3p_endo anti
+W142 : A C3p_endo anti
+W143 : U C2p_endo anti
+W144 : G C2p_endo anti
+W145 : A C3p_endo anti
+W146 : G C3p_endo anti
+W147 : A C3p_endo anti
+W148 : U C2p_endo anti
+W149 : G C2p_endo anti
+W150 : A C3p_endo anti
+W151 : G C3p_endo anti
+W152 : A C3p_endo anti
+W153 : U C2p_endo anti
+W154 : G C2p_endo anti
+W155 : A C3p_endo anti
+A7 : SER
+A8 : ASP
+A9 : PHE
+A10 : VAL
+A11 : VAL
+A12 : ILE
+A13 : LYS
+A14 : ALA
+A15 : LEU
+A16 : GLU
+A17 : ASP
+A18 : GLY
+A19 : VAL
+A20 : ASN
+A21 : VAL
+A22 : ILE
+A23 : GLY
+A24 : LEU
+A25 : THR
+A26 : ARG
+A27 : GLY
+A28 : ALA
+A29 : ASP
+A30 : THR
+A31 : ARG
+A32 : PHE
+A33 : HIS
+A34 : HIS
+A35 : SER
+A36 : GLU
+A37 : LYS
+A38 : LEU
+A39 : ASP
+A40 : LYS
+A41 : GLY
+A42 : GLU
+A43 : VAL
+A44 : LEU
+A45 : ILE
+A46 : ALA
+A47 : GLN
+A48 : PHE
+A49 : THR
+A50 : GLU
+A51 : HIS
+A52 : THR
+A53 : SER
+A54 : ALA
+A55 : ILE
+A56 : LYS
+A57 : VAL
+A58 : ARG
+A59 : GLY
+A60 : LYS
+A61 : ALA
+A62 : TYR
+A63 : ILE
+A64 : GLN
+A65 : THR
+A66 : ARG
+A67 : HIS
+A68 : GLY
+A69 : VAL
+A70 : ILE
+A71 : GLU
+A72 : SER
+A73 : GLU
+A74 : GLY
+A75 : LYS
+B7 : SER
+B8 : ASP
+B9 : PHE
+B10 : VAL
+B11 : VAL
+B12 : ILE
+B13 : LYS
+B14 : ALA
+B15 : LEU
+B16 : GLU
+B17 : ASP
+B18 : GLY
+B19 : VAL
+B20 : ASN
+B21 : VAL
+B22 : ILE
+B23 : GLY
+B24 : LEU
+B25 : THR
+B26 : ARG
+B27 : GLY
+B28 : ALA
+B29 : ASP
+B30 : THR
+B31 : ARG
+B32 : PHE
+B33 : HIS
+B34 : HIS
+B35 : SER
+B36 : GLU
+B37 : LYS
+B38 : LEU
+B39 : ASP
+B40 : LYS
+B41 : GLY
+B42 : GLU
+B43 : VAL
+B44 : LEU
+B45 : ILE
+B46 : ALA
+B47 : GLN
+B48 : PHE
+B49 : THR
+B50 : GLU
+B51 : HIS
+B52 : THR
+B53 : SER
+B54 : ALA
+B55 : ILE
+B56 : LYS
+B57 : VAL
+B58 : ARG
+B59 : GLY
+B60 : LYS
+B61 : ALA
+B62 : TYR
+B63 : ILE
+B64 : GLN
+B65 : THR
+B66 : ARG
+B67 : HIS
+B68 : GLY
+B69 : VAL
+B70 : ILE
+B71 : GLU
+B72 : SER
+B73 : GLU
+B74 : GLY
+C6 : ASN
+C7 : SER
+C8 : ASP
+C9 : PHE
+C10 : VAL
+C11 : VAL
+C12 : ILE
+C13 : LYS
+C14 : ALA
+C15 : LEU
+C16 : GLU
+C17 : ASP
+C18 : GLY
+C19 : VAL
+C20 : ASN
+C21 : VAL
+C22 : ILE
+C23 : GLY
+C24 : LEU
+C25 : THR
+C26 : ARG
+C27 : GLY
+C28 : ALA
+C29 : ASP
+C30 : THR
+C31 : ARG
+C32 : PHE
+C33 : HIS
+C34 : HIS
+C35 : SER
+C36 : GLU
+C37 : LYS
+C38 : LEU
+C39 : ASP
+C40 : LYS
+C41 : GLY
+C42 : GLU
+C43 : VAL
+C44 : LEU
+C45 : ILE
+C46 : ALA
+C47 : GLN
+C48 : PHE
+C49 : THR
+C50 : GLU
+C51 : HIS
+C52 : THR
+C53 : SER
+C54 : ALA
+C55 : ILE
+C56 : LYS
+C57 : VAL
+C58 : ARG
+C59 : GLY
+C60 : LYS
+C61 : ALA
+C62 : TYR
+C63 : ILE
+C64 : GLN
+C65 : THR
+C66 : ARG
+C67 : HIS
+C68 : GLY
+C69 : VAL
+C70 : ILE
+C71 : GLU
+C72 : SER
+C73 : GLU
+C74 : GLY
+D7 : SER
+D8 : ASP
+D9 : PHE
+D10 : VAL
+D11 : VAL
+D12 : ILE
+D13 : LYS
+D14 : ALA
+D15 : LEU
+D16 : GLU
+D17 : ASP
+D18 : GLY
+D19 : VAL
+D20 : ASN
+D21 : VAL
+D22 : ILE
+D23 : GLY
+D24 : LEU
+D25 : THR
+D26 : ARG
+D27 : GLY
+D28 : ALA
+D29 : ASP
+D30 : THR
+D31 : ARG
+D32 : PHE
+D33 : HIS
+D34 : HIS
+D35 : SER
+D36 : GLU
+D37 : LYS
+D38 : LEU
+D39 : ASP
+D40 : LYS
+D41 : GLY
+D42 : GLU
+D43 : VAL
+D44 : LEU
+D45 : ILE
+D46 : ALA
+D47 : GLN
+D48 : PHE
+D49 : THR
+D50 : GLU
+D51 : HIS
+D52 : THR
+D53 : SER
+D54 : ALA
+D55 : ILE
+D56 : LYS
+D57 : VAL
+D58 : ARG
+D59 : GLY
+D60 : LYS
+D61 : ALA
+D62 : TYR
+D63 : ILE
+D64 : GLN
+D65 : THR
+D66 : ARG
+D67 : HIS
+D68 : GLY
+D69 : VAL
+D70 : ILE
+D71 : GLU
+D72 : SER
+D73 : GLU
+D74 : GLY
+D75 : LYS
+E7 : SER
+E8 : ASP
+E9 : PHE
+E10 : VAL
+E11 : VAL
+E12 : ILE
+E13 : LYS
+E14 : ALA
+E15 : LEU
+E16 : GLU
+E17 : ASP
+E18 : GLY
+E19 : VAL
+E20 : ASN
+E21 : VAL
+E22 : ILE
+E23 : GLY
+E24 : LEU
+E25 : THR
+E26 : ARG
+E27 : GLY
+E28 : ALA
+E29 : ASP
+E30 : THR
+E31 : ARG
+E32 : PHE
+E33 : HIS
+E34 : HIS
+E35 : SER
+E36 : GLU
+E37 : LYS
+E38 : LEU
+E39 : ASP
+E40 : LYS
+E41 : GLY
+E42 : GLU
+E43 : VAL
+E44 : LEU
+E45 : ILE
+E46 : ALA
+E47 : GLN
+E48 : PHE
+E49 : THR
+E50 : GLU
+E51 : HIS
+E52 : THR
+E53 : SER
+E54 : ALA
+E55 : ILE
+E56 : LYS
+E57 : VAL
+E58 : ARG
+E59 : GLY
+E60 : LYS
+E61 : ALA
+E62 : TYR
+E63 : ILE
+E64 : GLN
+E65 : THR
+E66 : ARG
+E67 : HIS
+E68 : GLY
+E69 : VAL
+E70 : ILE
+E71 : GLU
+E72 : SER
+E73 : GLU
+E74 : GLY
+F7 : SER
+F8 : ASP
+F9 : PHE
+F10 : VAL
+F11 : VAL
+F12 : ILE
+F13 : LYS
+F14 : ALA
+F15 : LEU
+F16 : GLU
+F17 : ASP
+F18 : GLY
+F19 : VAL
+F20 : ASN
+F21 : VAL
+F22 : ILE
+F23 : GLY
+F24 : LEU
+F25 : THR
+F26 : ARG
+F27 : GLY
+F28 : ALA
+F29 : ASP
+F30 : THR
+F31 : ARG
+F32 : PHE
+F33 : HIS
+F34 : HIS
+F35 : SER
+F36 : GLU
+F37 : LYS
+F38 : LEU
+F39 : ASP
+F40 : LYS
+F41 : GLY
+F42 : GLU
+F43 : VAL
+F44 : LEU
+F45 : ILE
+F46 : ALA
+F47 : GLN
+F48 : PHE
+F49 : THR
+F50 : GLU
+F51 : HIS
+F52 : THR
+F53 : SER
+F54 : ALA
+F55 : ILE
+F56 : LYS
+F57 : VAL
+F58 : ARG
+F59 : GLY
+F60 : LYS
+F61 : ALA
+F62 : TYR
+F63 : ILE
+F64 : GLN
+F65 : THR
+F66 : ARG
+F67 : HIS
+F68 : GLY
+F69 : VAL
+F70 : ILE
+F71 : GLU
+F72 : SER
+F73 : GLU
+F74 : GLY
+F75 : LYS
+G6 : ASN
+G7 : SER
+G8 : ASP
+G9 : PHE
+G10 : VAL
+G11 : VAL
+G12 : ILE
+G13 : LYS
+G14 : ALA
+G15 : LEU
+G16 : GLU
+G17 : ASP
+G18 : GLY
+G19 : VAL
+G20 : ASN
+G21 : VAL
+G22 : ILE
+G23 : GLY
+G24 : LEU
+G25 : THR
+G26 : ARG
+G27 : GLY
+G28 : ALA
+G29 : ASP
+G30 : THR
+G31 : ARG
+G32 : PHE
+G33 : HIS
+G34 : HIS
+G35 : SER
+G36 : GLU
+G37 : LYS
+G38 : LEU
+G39 : ASP
+G40 : LYS
+G41 : GLY
+G42 : GLU
+G43 : VAL
+G44 : LEU
+G45 : ILE
+G46 : ALA
+G47 : GLN
+G48 : PHE
+G49 : THR
+G50 : GLU
+G51 : HIS
+G52 : THR
+G53 : SER
+G54 : ALA
+G55 : ILE
+G56 : LYS
+G57 : VAL
+G58 : ARG
+G59 : GLY
+G60 : LYS
+G61 : ALA
+G62 : TYR
+G63 : ILE
+G64 : GLN
+G65 : THR
+G66 : ARG
+G67 : HIS
+G68 : GLY
+G69 : VAL
+G70 : ILE
+G71 : GLU
+G72 : SER
+G73 : GLU
+G74 : GLY
+G75 : LYS
+H7 : SER
+H8 : ASP
+H9 : PHE
+H10 : VAL
+H11 : VAL
+H12 : ILE
+H13 : LYS
+H14 : ALA
+H15 : LEU
+H16 : GLU
+H17 : ASP
+H18 : GLY
+H19 : VAL
+H20 : ASN
+H21 : VAL
+H22 : ILE
+H23 : GLY
+H24 : LEU
+H25 : THR
+H26 : ARG
+H27 : GLY
+H28 : ALA
+H29 : ASP
+H30 : THR
+H31 : ARG
+H32 : PHE
+H33 : HIS
+H34 : HIS
+H35 : SER
+H36 : GLU
+H37 : LYS
+H38 : LEU
+H39 : ASP
+H40 : LYS
+H41 : GLY
+H42 : GLU
+H43 : VAL
+H44 : LEU
+H45 : ILE
+H46 : ALA
+H47 : GLN
+H48 : PHE
+H49 : THR
+H50 : GLU
+H51 : HIS
+H52 : THR
+H53 : SER
+H54 : ALA
+H55 : ILE
+H56 : LYS
+H57 : VAL
+H58 : ARG
+H59 : GLY
+H60 : LYS
+H61 : ALA
+H62 : TYR
+H63 : ILE
+H64 : GLN
+H65 : THR
+H66 : ARG
+H67 : HIS
+H68 : GLY
+H69 : VAL
+H70 : ILE
+H71 : GLU
+H72 : SER
+H73 : GLU
+H74 : GLY
+H75 : LYS
+I7 : SER
+I8 : ASP
+I9 : PHE
+I10 : VAL
+I11 : VAL
+I12 : ILE
+I13 : LYS
+I14 : ALA
+I15 : LEU
+I16 : GLU
+I17 : ASP
+I18 : GLY
+I19 : VAL
+I20 : ASN
+I21 : VAL
+I22 : ILE
+I23 : GLY
+I24 : LEU
+I25 : THR
+I26 : ARG
+I27 : GLY
+I28 : ALA
+I29 : ASP
+I30 : THR
+I31 : ARG
+I32 : PHE
+I33 : HIS
+I34 : HIS
+I35 : SER
+I36 : GLU
+I37 : LYS
+I38 : LEU
+I39 : ASP
+I40 : LYS
+I41 : GLY
+I42 : GLU
+I43 : VAL
+I44 : LEU
+I45 : ILE
+I46 : ALA
+I47 : GLN
+I48 : PHE
+I49 : THR
+I50 : GLU
+I51 : HIS
+I52 : THR
+I53 : SER
+I54 : ALA
+I55 : ILE
+I56 : LYS
+I57 : VAL
+I58 : ARG
+I59 : GLY
+I60 : LYS
+I61 : ALA
+I62 : TYR
+I63 : ILE
+I64 : GLN
+I65 : THR
+I66 : ARG
+I67 : HIS
+I68 : GLY
+I69 : VAL
+I70 : ILE
+I71 : GLU
+I72 : SER
+I73 : GLU
+I74 : GLY
+I75 : LYS
+J7 : SER
+J8 : ASP
+J9 : PHE
+J10 : VAL
+J11 : VAL
+J12 : ILE
+J13 : LYS
+J14 : ALA
+J15 : LEU
+J16 : GLU
+J17 : ASP
+J18 : GLY
+J19 : VAL
+J20 : ASN
+J21 : VAL
+J22 : ILE
+J23 : GLY
+J24 : LEU
+J25 : THR
+J26 : ARG
+J27 : GLY
+J28 : ALA
+J29 : ASP
+J30 : THR
+J31 : ARG
+J32 : PHE
+J33 : HIS
+J34 : HIS
+J35 : SER
+J36 : GLU
+J37 : LYS
+J38 : LEU
+J39 : ASP
+J40 : LYS
+J41 : GLY
+J42 : GLU
+J43 : VAL
+J44 : LEU
+J45 : ILE
+J46 : ALA
+J47 : GLN
+J48 : PHE
+J49 : THR
+J50 : GLU
+J51 : HIS
+J52 : THR
+J53 : SER
+J54 : ALA
+J55 : ILE
+J56 : LYS
+J57 : VAL
+J58 : ARG
+J59 : GLY
+J60 : LYS
+J61 : ALA
+J62 : TYR
+J63 : ILE
+J64 : GLN
+J65 : THR
+J66 : ARG
+J67 : HIS
+J68 : GLY
+J69 : VAL
+J70 : ILE
+J71 : GLU
+J72 : SER
+J73 : GLU
+K7 : SER
+K8 : ASP
+K9 : PHE
+K10 : VAL
+K11 : VAL
+K12 : ILE
+K13 : LYS
+K14 : ALA
+K15 : LEU
+K16 : GLU
+K17 : ASP
+K18 : GLY
+K19 : VAL
+K20 : ASN
+K21 : VAL
+K22 : ILE
+K23 : GLY
+K24 : LEU
+K25 : THR
+K26 : ARG
+K27 : GLY
+K28 : ALA
+K29 : ASP
+K30 : THR
+K31 : ARG
+K32 : PHE
+K33 : HIS
+K34 : HIS
+K35 : SER
+K36 : GLU
+K37 : LYS
+K38 : LEU
+K39 : ASP
+K40 : LYS
+K41 : GLY
+K42 : GLU
+K43 : VAL
+K44 : LEU
+K45 : ILE
+K46 : ALA
+K47 : GLN
+K48 : PHE
+K49 : THR
+K50 : GLU
+K51 : HIS
+K52 : THR
+K53 : SER
+K54 : ALA
+K55 : ILE
+K56 : LYS
+K57 : VAL
+K58 : ARG
+K59 : GLY
+K60 : LYS
+K61 : ALA
+K62 : TYR
+K63 : ILE
+K64 : GLN
+K65 : THR
+K66 : ARG
+K67 : HIS
+K68 : GLY
+K69 : VAL
+K70 : ILE
+K71 : GLU
+K72 : SER
+K73 : GLU
+K74 : GLY
+K75 : LYS
+L5 : THR
+L6 : ASN
+L7 : SER
+L8 : ASP
+L9 : PHE
+L10 : VAL
+L11 : VAL
+L12 : ILE
+L13 : LYS
+L14 : ALA
+L15 : LEU
+L16 : GLU
+L17 : ASP
+L18 : GLY
+L19 : VAL
+L20 : ASN
+L21 : VAL
+L22 : ILE
+L23 : GLY
+L24 : LEU
+L25 : THR
+L26 : ARG
+L27 : GLY
+L28 : ALA
+L29 : ASP
+L30 : THR
+L31 : ARG
+L32 : PHE
+L33 : HIS
+L34 : HIS
+L35 : SER
+L36 : GLU
+L37 : LYS
+L38 : LEU
+L39 : ASP
+L40 : LYS
+L41 : GLY
+L42 : GLU
+L43 : VAL
+L44 : LEU
+L45 : ILE
+L46 : ALA
+L47 : GLN
+L48 : PHE
+L49 : THR
+L50 : GLU
+L51 : HIS
+L52 : THR
+L53 : SER
+L54 : ALA
+L55 : ILE
+L56 : LYS
+L57 : VAL
+L58 : ARG
+L59 : GLY
+L60 : LYS
+L61 : ALA
+L62 : TYR
+L63 : ILE
+L64 : GLN
+L65 : THR
+L66 : ARG
+L67 : HIS
+L68 : GLY
+L69 : VAL
+L70 : ILE
+L71 : GLU
+L72 : SER
+L73 : GLU
+L74 : GLY
+M5 : THR
+M6 : ASN
+M7 : SER
+M8 : ASP
+M9 : PHE
+M10 : VAL
+M11 : VAL
+M12 : ILE
+M13 : LYS
+M14 : ALA
+M15 : LEU
+M16 : GLU
+M17 : ASP
+M18 : GLY
+M19 : VAL
+M20 : ASN
+M21 : VAL
+M22 : ILE
+M23 : GLY
+M24 : LEU
+M25 : THR
+M26 : ARG
+M27 : GLY
+M28 : ALA
+M29 : ASP
+M30 : THR
+M31 : ARG
+M32 : PHE
+M33 : HIS
+M34 : HIS
+M35 : SER
+M36 : GLU
+M37 : LYS
+M38 : LEU
+M39 : ASP
+M40 : LYS
+M41 : GLY
+M42 : GLU
+M43 : VAL
+M44 : LEU
+M45 : ILE
+M46 : ALA
+M47 : GLN
+M48 : PHE
+M49 : THR
+M50 : GLU
+M51 : HIS
+M52 : THR
+M53 : SER
+M54 : ALA
+M55 : ILE
+M56 : LYS
+M57 : VAL
+M58 : ARG
+M59 : GLY
+M60 : LYS
+M61 : ALA
+M62 : TYR
+M63 : ILE
+M64 : GLN
+M65 : THR
+M66 : ARG
+M67 : HIS
+M68 : GLY
+M69 : VAL
+M70 : ILE
+M71 : GLU
+M72 : SER
+M73 : GLU
+M74 : GLY
+M75 : LYS
+N5 : THR
+N6 : ASN
+N7 : SER
+N8 : ASP
+N9 : PHE
+N10 : VAL
+N11 : VAL
+N12 : ILE
+N13 : LYS
+N14 : ALA
+N15 : LEU
+N16 : GLU
+N17 : ASP
+N18 : GLY
+N19 : VAL
+N20 : ASN
+N21 : VAL
+N22 : ILE
+N23 : GLY
+N24 : LEU
+N25 : THR
+N26 : ARG
+N27 : GLY
+N28 : ALA
+N29 : ASP
+N30 : THR
+N31 : ARG
+N32 : PHE
+N33 : HIS
+N34 : HIS
+N35 : SER
+N36 : GLU
+N37 : LYS
+N38 : LEU
+N39 : ASP
+N40 : LYS
+N41 : GLY
+N42 : GLU
+N43 : VAL
+N44 : LEU
+N45 : ILE
+N46 : ALA
+N47 : GLN
+N48 : PHE
+N49 : THR
+N50 : GLU
+N51 : HIS
+N52 : THR
+N53 : SER
+N54 : ALA
+N55 : ILE
+N56 : LYS
+N57 : VAL
+N58 : ARG
+N59 : GLY
+N60 : LYS
+N61 : ALA
+N62 : TYR
+N63 : ILE
+N64 : GLN
+N65 : THR
+N66 : ARG
+N67 : HIS
+N68 : GLY
+N69 : VAL
+N70 : ILE
+N71 : GLU
+N72 : SER
+N73 : GLU
+N74 : GLY
+O5 : THR
+O6 : ASN
+O7 : SER
+O8 : ASP
+O9 : PHE
+O10 : VAL
+O11 : VAL
+O12 : ILE
+O13 : LYS
+O14 : ALA
+O15 : LEU
+O16 : GLU
+O17 : ASP
+O18 : GLY
+O19 : VAL
+O20 : ASN
+O21 : VAL
+O22 : ILE
+O23 : GLY
+O24 : LEU
+O25 : THR
+O26 : ARG
+O27 : GLY
+O28 : ALA
+O29 : ASP
+O30 : THR
+O31 : ARG
+O32 : PHE
+O33 : HIS
+O34 : HIS
+O35 : SER
+O36 : GLU
+O37 : LYS
+O38 : LEU
+O39 : ASP
+O40 : LYS
+O41 : GLY
+O42 : GLU
+O43 : VAL
+O44 : LEU
+O45 : ILE
+O46 : ALA
+O47 : GLN
+O48 : PHE
+O49 : THR
+O50 : GLU
+O51 : HIS
+O52 : THR
+O53 : SER
+O54 : ALA
+O55 : ILE
+O56 : LYS
+O57 : VAL
+O58 : ARG
+O59 : GLY
+O60 : LYS
+O61 : ALA
+O62 : TYR
+O63 : ILE
+O64 : GLN
+O65 : THR
+O66 : ARG
+O67 : HIS
+O68 : GLY
+O69 : VAL
+O70 : ILE
+O71 : GLU
+O72 : SER
+O73 : GLU
+O74 : GLY
+O75 : LYS
+P5 : THR
+P6 : ASN
+P7 : SER
+P8 : ASP
+P9 : PHE
+P10 : VAL
+P11 : VAL
+P12 : ILE
+P13 : LYS
+P14 : ALA
+P15 : LEU
+P16 : GLU
+P17 : ASP
+P18 : GLY
+P19 : VAL
+P20 : ASN
+P21 : VAL
+P22 : ILE
+P23 : GLY
+P24 : LEU
+P25 : THR
+P26 : ARG
+P27 : GLY
+P28 : ALA
+P29 : ASP
+P30 : THR
+P31 : ARG
+P32 : PHE
+P33 : HIS
+P34 : HIS
+P35 : SER
+P36 : GLU
+P37 : LYS
+P38 : LEU
+P39 : ASP
+P40 : LYS
+P41 : GLY
+P42 : GLU
+P43 : VAL
+P44 : LEU
+P45 : ILE
+P46 : ALA
+P47 : GLN
+P48 : PHE
+P49 : THR
+P50 : GLU
+P51 : HIS
+P52 : THR
+P53 : SER
+P54 : ALA
+P55 : ILE
+P56 : LYS
+P57 : VAL
+P58 : ARG
+P59 : GLY
+P60 : LYS
+P61 : ALA
+P62 : TYR
+P63 : ILE
+P64 : GLN
+P65 : THR
+P66 : ARG
+P67 : HIS
+P68 : GLY
+P69 : VAL
+P70 : ILE
+P71 : GLU
+P72 : SER
+P73 : GLU
+P74 : GLY
+Q5 : THR
+Q6 : ASN
+Q7 : SER
+Q8 : ASP
+Q9 : PHE
+Q10 : VAL
+Q11 : VAL
+Q12 : ILE
+Q13 : LYS
+Q14 : ALA
+Q15 : LEU
+Q16 : GLU
+Q17 : ASP
+Q18 : GLY
+Q19 : VAL
+Q20 : ASN
+Q21 : VAL
+Q22 : ILE
+Q23 : GLY
+Q24 : LEU
+Q25 : THR
+Q26 : ARG
+Q27 : GLY
+Q28 : ALA
+Q29 : ASP
+Q30 : THR
+Q31 : ARG
+Q32 : PHE
+Q33 : HIS
+Q34 : HIS
+Q35 : SER
+Q36 : GLU
+Q37 : LYS
+Q38 : LEU
+Q39 : ASP
+Q40 : LYS
+Q41 : GLY
+Q42 : GLU
+Q43 : VAL
+Q44 : LEU
+Q45 : ILE
+Q46 : ALA
+Q47 : GLN
+Q48 : PHE
+Q49 : THR
+Q50 : GLU
+Q51 : HIS
+Q52 : THR
+Q53 : SER
+Q54 : ALA
+Q55 : ILE
+Q56 : LYS
+Q57 : VAL
+Q58 : ARG
+Q59 : GLY
+Q60 : LYS
+Q61 : ALA
+Q62 : TYR
+Q63 : ILE
+Q64 : GLN
+Q65 : THR
+Q66 : ARG
+Q67 : HIS
+Q68 : GLY
+Q69 : VAL
+Q70 : ILE
+Q71 : GLU
+Q72 : SER
+Q73 : GLU
+Q74 : GLY
+R5 : THR
+R6 : ASN
+R7 : SER
+R8 : ASP
+R9 : PHE
+R10 : VAL
+R11 : VAL
+R12 : ILE
+R13 : LYS
+R14 : ALA
+R15 : LEU
+R16 : GLU
+R17 : ASP
+R18 : GLY
+R19 : VAL
+R20 : ASN
+R21 : VAL
+R22 : ILE
+R23 : GLY
+R24 : LEU
+R25 : THR
+R26 : ARG
+R27 : GLY
+R28 : ALA
+R29 : ASP
+R30 : THR
+R31 : ARG
+R32 : PHE
+R33 : HIS
+R34 : HIS
+R35 : SER
+R36 : GLU
+R37 : LYS
+R38 : LEU
+R39 : ASP
+R40 : LYS
+R41 : GLY
+R42 : GLU
+R43 : VAL
+R44 : LEU
+R45 : ILE
+R46 : ALA
+R47 : GLN
+R48 : PHE
+R49 : THR
+R50 : GLU
+R51 : HIS
+R52 : THR
+R53 : SER
+R54 : ALA
+R55 : ILE
+R56 : LYS
+R57 : VAL
+R58 : ARG
+R59 : GLY
+R60 : LYS
+R61 : ALA
+R62 : TYR
+R63 : ILE
+R64 : GLN
+R65 : THR
+R66 : ARG
+R67 : HIS
+R68 : GLY
+R69 : VAL
+R70 : ILE
+R71 : GLU
+R72 : SER
+R73 : GLU
+R74 : GLY
+S5 : THR
+S6 : ASN
+S7 : SER
+S8 : ASP
+S9 : PHE
+S10 : VAL
+S11 : VAL
+S12 : ILE
+S13 : LYS
+S14 : ALA
+S15 : LEU
+S16 : GLU
+S17 : ASP
+S18 : GLY
+S19 : VAL
+S20 : ASN
+S21 : VAL
+S22 : ILE
+S23 : GLY
+S24 : LEU
+S25 : THR
+S26 : ARG
+S27 : GLY
+S28 : ALA
+S29 : ASP
+S30 : THR
+S31 : ARG
+S32 : PHE
+S33 : HIS
+S34 : HIS
+S35 : SER
+S36 : GLU
+S37 : LYS
+S38 : LEU
+S39 : ASP
+S40 : LYS
+S41 : GLY
+S42 : GLU
+S43 : VAL
+S44 : LEU
+S45 : ILE
+S46 : ALA
+S47 : GLN
+S48 : PHE
+S49 : THR
+S50 : GLU
+S51 : HIS
+S52 : THR
+S53 : SER
+S54 : ALA
+S55 : ILE
+S56 : LYS
+S57 : VAL
+S58 : ARG
+S59 : GLY
+S60 : LYS
+S61 : ALA
+S62 : TYR
+S63 : ILE
+S64 : GLN
+S65 : THR
+S66 : ARG
+S67 : HIS
+S68 : GLY
+S69 : VAL
+S70 : ILE
+S71 : GLU
+S72 : SER
+S73 : GLU
+S74 : GLY
+T5 : THR
+T6 : ASN
+T7 : SER
+T8 : ASP
+T9 : PHE
+T10 : VAL
+T11 : VAL
+T12 : ILE
+T13 : LYS
+T14 : ALA
+T15 : LEU
+T16 : GLU
+T17 : ASP
+T18 : GLY
+T19 : VAL
+T20 : ASN
+T21 : VAL
+T22 : ILE
+T23 : GLY
+T24 : LEU
+T25 : THR
+T26 : ARG
+T27 : GLY
+T28 : ALA
+T29 : ASP
+T30 : THR
+T31 : ARG
+T32 : PHE
+T33 : HIS
+T34 : HIS
+T35 : SER
+T36 : GLU
+T37 : LYS
+T38 : LEU
+T39 : ASP
+T40 : LYS
+T41 : GLY
+T42 : GLU
+T43 : VAL
+T44 : LEU
+T45 : ILE
+T46 : ALA
+T47 : GLN
+T48 : PHE
+T49 : THR
+T50 : GLU
+T51 : HIS
+T52 : THR
+T53 : SER
+T54 : ALA
+T55 : ILE
+T56 : LYS
+T57 : VAL
+T58 : ARG
+T59 : GLY
+T60 : LYS
+T61 : ALA
+T62 : TYR
+T63 : ILE
+T64 : GLN
+T65 : THR
+T66 : ARG
+T67 : HIS
+T68 : GLY
+T69 : VAL
+T70 : ILE
+T71 : GLU
+T72 : SER
+T73 : GLU
+T74 : GLY
+U5 : THR
+U6 : ASN
+U7 : SER
+U8 : ASP
+U9 : PHE
+U10 : VAL
+U11 : VAL
+U12 : ILE
+U13 : LYS
+U14 : ALA
+U15 : LEU
+U16 : GLU
+U17 : ASP
+U18 : GLY
+U19 : VAL
+U20 : ASN
+U21 : VAL
+U22 : ILE
+U23 : GLY
+U24 : LEU
+U25 : THR
+U26 : ARG
+U27 : GLY
+U28 : ALA
+U29 : ASP
+U30 : THR
+U31 : ARG
+U32 : PHE
+U33 : HIS
+U34 : HIS
+U35 : SER
+U36 : GLU
+U37 : LYS
+U38 : LEU
+U39 : ASP
+U40 : LYS
+U41 : GLY
+U42 : GLU
+U43 : VAL
+U44 : LEU
+U45 : ILE
+U46 : ALA
+U47 : GLN
+U48 : PHE
+U49 : THR
+U50 : GLU
+U51 : HIS
+U52 : THR
+U53 : SER
+U54 : ALA
+U55 : ILE
+U56 : LYS
+U57 : VAL
+U58 : ARG
+U59 : GLY
+U60 : LYS
+U61 : ALA
+U62 : TYR
+U63 : ILE
+U64 : GLN
+U65 : THR
+U66 : ARG
+U67 : HIS
+U68 : GLY
+U69 : VAL
+U70 : ILE
+U71 : GLU
+U72 : SER
+U73 : GLU
+U74 : GLY
+V5 : THR
+V6 : ASN
+V7 : SER
+V8 : ASP
+V9 : PHE
+V10 : VAL
+V11 : VAL
+V12 : ILE
+V13 : LYS
+V14 : ALA
+V15 : LEU
+V16 : GLU
+V17 : ASP
+V18 : GLY
+V19 : VAL
+V20 : ASN
+V21 : VAL
+V22 : ILE
+V23 : GLY
+V24 : LEU
+V25 : THR
+V26 : ARG
+V27 : GLY
+V28 : ALA
+V29 : ASP
+V30 : THR
+V31 : ARG
+V32 : PHE
+V33 : HIS
+V34 : HIS
+V35 : SER
+V36 : GLU
+V37 : LYS
+V38 : LEU
+V39 : ASP
+V40 : LYS
+V41 : GLY
+V42 : GLU
+V43 : VAL
+V44 : LEU
+V45 : ILE
+V46 : ALA
+V47 : GLN
+V48 : PHE
+V49 : THR
+V50 : GLU
+V51 : HIS
+V52 : THR
+V53 : SER
+V54 : ALA
+V55 : ILE
+V56 : LYS
+V57 : VAL
+V58 : ARG
+V59 : GLY
+V60 : LYS
+V61 : ALA
+V62 : TYR
+V63 : ILE
+V64 : GLN
+V65 : THR
+V66 : ARG
+V67 : HIS
+V68 : GLY
+V69 : VAL
+V70 : ILE
+V71 : GLU
+V72 : SER
+V73 : GLU
+V74 : GLY
+A81 : TRP
+A181 : TRP
+B81 : TRP
+C81 : TRP
+D81 : TRP
+E81 : TRP
+F81 : TRP
+G81 : TRP
+H81 : TRP
+I81 : TRP
+J81 : TRP
+K81 : TRP
+L81 : TRP
+M81 : TRP
+N81 : TRP
+O81 : TRP
+P81 : TRP
+Q81 : TRP
+R81 : TRP
+S81 : TRP
+T81 : TRP
+U81 : TRP
+V81 : TRP
+W437 : HOH
+W562 : HOH
+W566 : HOH
+W569 : HOH
+W610 : HOH
+W614 : HOH
+W644 : HOH
+W689 : HOH
+W695 : HOH
+W710 : HOH
+W719 : HOH
+W730 : HOH
+W737 : HOH
+W748 : HOH
+W751 : HOH
+W757 : HOH
+W758 : HOH
+W778 : HOH
+W793 : HOH
+W810 : HOH
+W833 : HOH
+W859 : HOH
+W864 : HOH
+W886 : HOH
+W899 : HOH
+W909 : HOH
+W912 : HOH
+W918 : HOH
+W927 : HOH
+W935 : HOH
+W949 : HOH
+W954 : HOH
+W961 : HOH
+W963 : HOH
+W966 : HOH
+W972 : HOH
+W1055 : HOH
+W1084 : HOH
+W1093 : HOH
+W1094 : HOH
+W1097 : HOH
+W1110 : HOH
+W1118 : HOH
+W1127 : HOH
+W1135 : HOH
+W1137 : HOH
+W1141 : HOH
+W1156 : HOH
+W1172 : HOH
+W1178 : HOH
+W1186 : HOH
+W1212 : HOH
+W1230 : HOH
+W1252 : HOH
+W1263 : HOH
+A182 : HOH
+A183 : HOH
+A184 : HOH
+A185 : HOH
+A186 : HOH
+A187 : HOH
+A188 : HOH
+A189 : HOH
+A190 : HOH
+A191 : HOH
+A192 : HOH
+A193 : HOH
+A194 : HOH
+A195 : HOH
+A196 : HOH
+A197 : HOH
+A198 : HOH
+A199 : HOH
+A200 : HOH
+A201 : HOH
+A202 : HOH
+A203 : HOH
+A204 : HOH
+A205 : HOH
+A206 : HOH
+A207 : HOH
+A208 : HOH
+A209 : HOH
+A210 : HOH
+A211 : HOH
+A212 : HOH
+A213 : HOH
+A214 : HOH
+A215 : HOH
+A216 : HOH
+A217 : HOH
+A218 : HOH
+A219 : HOH
+A220 : HOH
+A221 : HOH
+A222 : HOH
+A223 : HOH
+A224 : HOH
+A225 : HOH
+A226 : HOH
+A227 : HOH
+A228 : HOH
+A229 : HOH
+A230 : HOH
+A231 : HOH
+A232 : HOH
+A233 : HOH
+A234 : HOH
+A235 : HOH
+A236 : HOH
+A237 : HOH
+A238 : HOH
+A239 : HOH
+A240 : HOH
+A241 : HOH
+A242 : HOH
+A243 : HOH
+A244 : HOH
+A245 : HOH
+A246 : HOH
+A247 : HOH
+A248 : HOH
+A249 : HOH
+A250 : HOH
+A251 : HOH
+A252 : HOH
+B82 : HOH
+B83 : HOH
+B84 : HOH
+B85 : HOH
+B86 : HOH
+B87 : HOH
+B88 : HOH
+B89 : HOH
+B90 : HOH
+B91 : HOH
+B92 : HOH
+B93 : HOH
+B94 : HOH
+B95 : HOH
+B96 : HOH
+B97 : HOH
+B98 : HOH
+B99 : HOH
+B100 : HOH
+B101 : HOH
+B102 : HOH
+B103 : HOH
+B104 : HOH
+B105 : HOH
+B106 : HOH
+B107 : HOH
+B108 : HOH
+B109 : HOH
+B110 : HOH
+B111 : HOH
+B112 : HOH
+B113 : HOH
+B114 : HOH
+B115 : HOH
+B116 : HOH
+B117 : HOH
+B118 : HOH
+B119 : HOH
+B120 : HOH
+B121 : HOH
+B122 : HOH
+B123 : HOH
+B124 : HOH
+B125 : HOH
+B126 : HOH
+B127 : HOH
+B128 : HOH
+B129 : HOH
+B130 : HOH
+B131 : HOH
+B132 : HOH
+B133 : HOH
+B134 : HOH
+B135 : HOH
+C82 : HOH
+C83 : HOH
+C84 : HOH
+C85 : HOH
+C86 : HOH
+C87 : HOH
+C88 : HOH
+C89 : HOH
+C90 : HOH
+C91 : HOH
+C92 : HOH
+C93 : HOH
+C94 : HOH
+C95 : HOH
+C96 : HOH
+C97 : HOH
+C98 : HOH
+C99 : HOH
+C100 : HOH
+C101 : HOH
+C102 : HOH
+C103 : HOH
+C104 : HOH
+C105 : HOH
+C106 : HOH
+C107 : HOH
+C108 : HOH
+C109 : HOH
+C110 : HOH
+C111 : HOH
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+V92 : HOH
+V93 : HOH
+V94 : HOH
+V95 : HOH
+V96 : HOH
+V97 : HOH
+V98 : HOH
+V99 : HOH
+V100 : HOH
+V101 : HOH
+V102 : HOH
+V103 : HOH
+V104 : HOH
+V105 : HOH
+V106 : HOH
+V107 : HOH
+V108 : HOH
+V109 : HOH
+V110 : HOH
+V111 : HOH
+V112 : HOH
+V113 : HOH
+V114 : HOH
+V115 : HOH
+V116 : HOH
+V117 : HOH
+V118 : HOH
+V119 : HOH
+V120 : HOH
+V121 : HOH
+V122 : HOH
+V123 : HOH
+V124 : HOH
+V125 : HOH
+V126 : HOH
+V127 : HOH
+V128 : HOH
+Adjacent stackings ----------------------------------------------
+W101-W155 : adjacent_3p downward 
+W102-W103 : adjacent_5p upward 
+W105-W106 : adjacent_5p upward 
+W107-W108 : adjacent_5p upward 
+W110-W111 : adjacent_5p upward 
+W112-W113 : adjacent_5p upward 
+W115-W116 : adjacent_5p upward 
+W117-W118 : adjacent_5p upward 
+W120-W121 : adjacent_5p upward 
+W122-W123 : adjacent_5p upward 
+W125-W126 : adjacent_5p upward 
+W127-W128 : adjacent_5p upward 
+W130-W131 : adjacent_5p upward 
+W132-W133 : adjacent_5p upward 
+W135-W136 : adjacent_5p upward 
+W137-W138 : adjacent_5p upward 
+W140-W141 : adjacent_5p upward 
+W142-W143 : adjacent_5p upward 
+W145-W146 : adjacent_5p upward 
+W147-W148 : adjacent_5p upward 
+W150-W151 : adjacent_5p upward 
+W152-W153 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 22
+Number of adjacent stackings = 22
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
diff --git a/MCdata/1cgm_MC b/MCdata/1cgm_MC
new file mode 100644
index 0000000000000000000000000000000000000000..be66502cffb5204d08f3ff287abb03f3aaa694dc
--- /dev/null
+++ b/MCdata/1cgm_MC
@@ -0,0 +1,176 @@
+Residue conformations -------------------------------------------
+I1 : G C3p_exo anti
+I2 : A O4p_endo anti
+I3 : A C2p_exo syn
+E0 : ACE
+E1 : ALA
+E2 : TYR
+E3 : ASN
+E4 : PRO
+E5 : ILE
+E6 : THR
+E7 : PRO
+E8 : SER
+E9 : LYS
+E10 : LEU
+E11 : ILE
+E12 : ALA
+E13 : PHE
+E14 : SER
+E15 : ALA
+E16 : SER
+E17 : TYR
+E18 : VAL
+E19 : PRO
+E20 : VAL
+E21 : ARG
+E22 : THR
+E23 : LEU
+E24 : LEU
+E25 : ASN
+E26 : PHE
+E27 : LEU
+E28 : VAL
+E29 : ALA
+E30 : SER
+E31 : GLN
+E32 : GLY
+E33 : THR
+E34 : ALA
+E35 : PHE
+E36 : GLN
+E37 : THR
+E38 : GLN
+E39 : ALA
+E40 : GLY
+E41 : ARG
+E42 : ASP
+E43 : SER
+E44 : PHE
+E45 : ARG
+E46 : GLU
+E47 : SER
+E48 : LEU
+E49 : SER
+E50 : ALA
+E51 : LEU
+E52 : PRO
+E53 : SER
+E54 : SER
+E55 : VAL
+E56 : VAL
+E57 : ASP
+E58 : ILE
+E59 : ASN
+E60 : SER
+E61 : ARG
+E62 : PHE
+E63 : PRO
+E64 : ASP
+E65 : ALA
+E66 : GLY
+E67 : PHE
+E68 : TYR
+E69 : ALA
+E70 : PHE
+E71 : LEU
+E72 : ASN
+E73 : GLY
+E74 : PRO
+E75 : VAL
+E76 : LEU
+E77 : ARG
+E78 : PRO
+E79 : ILE
+E80 : PHE
+E81 : VAL
+E82 : SER
+E83 : LEU
+E84 : LEU
+E85 : SER
+E86 : SER
+E87 : THR
+E88 : ASP
+E89 : THR
+E90 : ARG
+E91 : ASN
+E92 : ARG
+E93 : VAL
+E94 : ILE
+E95 : GLU
+E96 : VAL
+E97 : VAL
+E98 : ASP
+E99 : PRO
+E100 : SER
+E101 : ASN
+E102 : PRO
+E103 : THR
+E104 : THR
+E105 : ALA
+E106 : GLU
+E107 : SER
+E108 : LEU
+E109 : ASN
+E110 : ALA
+E111 : VAL
+E112 : LYS
+E113 : ARG
+E114 : THR
+E115 : ASP
+E116 : ASP
+E117 : ALA
+E118 : SER
+E119 : THR
+E120 : ALA
+E121 : ALA
+E122 : ARG
+E123 : ALA
+E124 : GLU
+E125 : ILE
+E126 : ASP
+E127 : ASN
+E128 : LEU
+E129 : ILE
+E130 : GLU
+E131 : SER
+E132 : ILE
+E133 : SER
+E134 : LYS
+E135 : GLY
+E136 : PHE
+E137 : ASP
+E138 : VAL
+E139 : TYR
+E140 : ASP
+E141 : ARG
+E142 : ALA
+E143 : SER
+E144 : PHE
+E145 : GLU
+E146 : ALA
+E147 : ALA
+E148 : PHE
+E149 : SER
+E150 : VAL
+E151 : VAL
+E152 : TRP
+E153 : SER
+E154 : GLU
+E155 : ALA
+E156 : THR
+E157 : THR
+E158 : SER
+E159 : LYS
+E160 : ALA
+E171 : HOH
+E172 : HOH
+E173 : HOH
+E174 : HOH
+E175 : HOH
+Adjacent stackings ----------------------------------------------
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 0
+Number of adjacent stackings = 0
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
diff --git a/MCdata/1cq5_MC b/MCdata/1cq5_MC
new file mode 100644
index 0000000000000000000000000000000000000000..0b34aa6a1848dbc3a65538866a63ce11ec127e7e
--- /dev/null
+++ b/MCdata/1cq5_MC
@@ -0,0 +1,111 @@
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : C C3p_endo anti
+A4 : G C3p_endo anti
+A5 : U C3p_endo anti
+A6 : U C3p_endo anti
+A7 : U C1p_exo anti
+A8 : A C2p_exo anti
+A9 : C C3p_endo anti
+A10 : C C2p_endo anti
+A11 : A C3p_exo syn
+A12 : G C3p_endo anti
+A13 : G C3p_endo anti
+A14 : U C3p_endo anti
+A15 : C C3p_endo anti
+A16 : A C3p_endo anti
+A17 : G C2p_endo anti
+A18 : G C3p_endo anti
+A19 : U C3p_endo anti
+A20 : C C3p_endo anti
+A21 : C C3p_endo anti
+A22 : G C3p_endo anti
+A23 : G C3p_endo anti
+A24 : A C3p_endo anti
+A25 : A C3p_endo anti
+A26 : G C2p_exo anti
+A27 : G C2p_exo anti
+A28 : A C3p_endo anti
+A29 : A C3p_endo anti
+A30 : G C3p_endo anti
+A31 : C C3p_endo anti
+A32 : A C3p_endo anti
+A33 : G C3p_endo anti
+A34 : C C3p_endo anti
+A35 : C C3p_endo anti
+A36 : A C3p_endo anti
+A37 : A C3p_endo anti
+A38 : G C3p_endo anti
+A39 : G C3p_endo anti
+A40 : C C3p_endo anti
+A41 : G C3p_endo anti
+A42 : C C3p_endo anti
+A43 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A7-A8 : adjacent_5p outward 
+A11-A12 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+A21-A22 : adjacent_5p upward 
+A23-A24 : adjacent_5p upward 
+A24-A25 : adjacent_5p upward 
+A25-A26 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+A27-A28 : adjacent_5p upward 
+A28-A29 : adjacent_5p upward 
+A29-A30 : adjacent_5p upward 
+A32-A33 : adjacent_5p upward 
+A33-A34 : adjacent_5p upward 
+A34-A35 : adjacent_5p upward 
+A35-A36 : adjacent_5p upward 
+A37-A38 : adjacent_5p upward 
+A38-A39 : adjacent_5p upward 
+A39-A40 : adjacent_5p upward 
+A40-A41 : adjacent_5p upward 
+A41-A42 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-A41 : outward 
+A9-A37 : outward 
+A16-A32 : outward 
+Number of stackings = 34
+Number of adjacent stackings = 31
+Number of non adjacent stackings = 3
+Base-pairs ------------------------------------------------------
+A1-A43 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A42 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A41 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-A40 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-A39 : U-G Ws/Ww pairing antiparallel cis XXVIII 
+A6-A38 : U-G Ww/Hw pairing antiparallel trans one_hbond 
+A8-A38 : A-G O2'/Ww pairing 
+A9-A36 : C-A Bh/O2' pairing 
+A9-A38 : C-G O2P/Bs pairing 
+A10-A11 : C-A O2'/Hh adjacent_5p pairing 
+A11-A36 : A-A Hw/Ss pairing antiparallel trans one_hbond 41 
+A12-A35 : G-C Ww/Ww pairing antiparallel cis XIX 
+A13-A34 : G-C Ww/Ww pairing antiparallel cis XIX 
+A14-A33 : U-G Ws/Ww pairing antiparallel cis XXVIII 
+A15-A31 : C-C Wh/Ww pairing antiparallel cis one_hbond 131 
+A15-A32 : C-A Ss/Hw O2'/Bh pairing antiparallel trans one_hbond 77 
+A16-A30 : A-G O2P/Ww O2P/Bs pairing 
+A17-A31 : G-C Ww/O2P pairing 
+A18-A29 : G-A Ww/Ww pairing antiparallel cis VIII 
+A18-A30 : G-G Bs/O2' pairing 
+A19-A28 : U-A Ww/Ww pairing antiparallel cis XX 
+A20-A27 : C-G Ww/Ww pairing antiparallel cis XIX 
+A21-A26 : C-G Ww/Ww pairing antiparallel cis XIX 
+A22-A24 : G-A O2'/Bh pairing 
+A22-A25 : G-A Sw/Hh Ww/O2P Bs/O2P pairing antiparallel trans one_hbond 
+A30-A31 : G-C O2P/Bh adjacent_5p pairing 
+A36-A37 : A-A O2'/C8 adjacent_5p pairing 
diff --git a/MCdata/1cql_MC b/MCdata/1cql_MC
new file mode 100644
index 0000000000000000000000000000000000000000..bc0e41e2a5c3891eef66490ff1590aa6d6b8e95c
--- /dev/null
+++ b/MCdata/1cql_MC
@@ -0,0 +1,1085 @@
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : C C3p_endo anti
+A4 : G C3p_endo anti
+A5 : U C3p_endo anti
+A6 : U C3p_endo anti
+A7 : U C1p_exo anti
+A8 : A C3p_exo anti
+A9 : C C3p_endo syn
+A10 : C O4p_endo anti
+A11 : A C2p_endo syn
+A12 : G C3p_endo anti
+A13 : G C3p_endo anti
+A14 : U C3p_endo anti
+A15 : C C3p_endo anti
+A16 : A C3p_endo anti
+A17 : G C1p_exo anti
+A18 : G C3p_endo anti
+A19 : U C3p_endo anti
+A20 : C C3p_endo anti
+A21 : C C3p_endo anti
+A22 : G C3p_endo anti
+A23 : G C3p_endo anti
+A24 : A C3p_endo anti
+A25 : A C3p_endo anti
+A26 : G C2p_exo anti
+A27 : G C3p_endo anti
+A28 : A C3p_endo anti
+A29 : A C3p_endo anti
+A30 : G C3p_endo anti
+A31 : C C3p_endo anti
+A32 : A C3p_endo anti
+A33 : G C3p_endo anti
+A34 : C C3p_endo anti
+A35 : C C3p_endo anti
+A36 : A C3p_endo anti
+A37 : A C3p_endo anti
+A38 : G C3p_endo anti
+A39 : G C3p_endo anti
+A40 : C C3p_endo anti
+A41 : G C3p_endo anti
+A42 : C C3p_endo anti
+A43 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A7-A8 : adjacent_5p outward 
+A8-A9 : adjacent_5p upward pairing 
+A9-A10 : adjacent_5p inward 
+A12-A13 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+A21-A22 : adjacent_5p upward 
+A23-A24 : adjacent_5p upward 
+A24-A25 : adjacent_5p upward 
+A25-A26 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+A27-A28 : adjacent_5p upward 
+A28-A29 : adjacent_5p upward 
+A29-A30 : adjacent_5p upward 
+A32-A33 : adjacent_5p upward 
+A33-A34 : adjacent_5p upward 
+A34-A35 : adjacent_5p upward 
+A35-A36 : adjacent_5p upward 
+A38-A39 : adjacent_5p upward 
+A39-A40 : adjacent_5p upward 
+A40-A41 : adjacent_5p upward 
+A41-A42 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-A41 : outward 
+A12-A36 : outward 
+A16-A32 : outward 
+Number of stackings = 35
+Number of adjacent stackings = 32
+Number of non adjacent stackings = 3
+Base-pairs ------------------------------------------------------
+A1-A43 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A42 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A41 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-A40 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-A39 : U-G Ws/Ww pairing antiparallel cis XXVIII 
+A6-A38 : U-G Ws/Ww pairing antiparallel cis XXVIII 
+A8-A9 : A-C O2'/Hh adjacent_5p upward pairing 
+A9-A11 : C-A Hw/Hh pairing antiparallel trans one_hbond 68 
+A9-A37 : C-A O2'/Bh pairing 
+A9-A38 : C-G O2P/Bs pairing 
+A10-A11 : C-A O2'/C8 adjacent_5p pairing 
+A10-A36 : C-A Bh/O2' pairing 
+A11-A36 : A-A Hw/Ss pairing antiparallel trans one_hbond 41 
+A12-A35 : G-C Ww/Ww pairing antiparallel cis XIX 
+A13-A34 : G-C Ww/Ww pairing antiparallel cis XIX 
+A14-A33 : U-G Ws/Ww pairing antiparallel cis XXVIII 
+A15-A31 : C-C Wh/Ww pairing antiparallel cis one_hbond 131 
+A15-A32 : C-A O2'/Bh pairing 
+A16-A30 : A-G O2P/Ww O2P/Bs pairing 
+A17-A31 : G-C Ww/O2P pairing 
+A18-A29 : G-A Ww/Ww pairing antiparallel cis VIII 
+A18-A30 : G-G Bs/O2' pairing 
+A19-A28 : U-A Ww/Ww pairing antiparallel cis XX 
+A20-A27 : C-G Ww/Ww pairing antiparallel cis XIX 
+A21-A26 : C-G Ww/Ww pairing antiparallel cis XIX 
+A22-A24 : G-A O2'/Bh pairing 
+A22-A25 : G-A Sw/Hh Ww/O2P Bs/O2P pairing antiparallel trans one_hbond 
+A30-A31 : G-C O2P/Bh adjacent_5p pairing 
+A36-A37 : A-A O2'/C8 adjacent_5p pairing 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : C C3p_endo anti
+A4 : G C3p_endo anti
+A5 : U C3p_endo anti
+A6 : U C3p_endo anti
+A7 : U C2p_endo anti
+A8 : A C1p_endo anti
+A9 : C C3p_endo syn
+A10 : C C1p_exo anti
+A11 : A C3p_exo syn
+A12 : G C3p_endo anti
+A13 : G C3p_endo anti
+A14 : U C3p_endo anti
+A15 : C C3p_endo anti
+A16 : A C3p_endo anti
+A17 : G C1p_exo anti
+A18 : G C3p_endo anti
+A19 : U C3p_endo anti
+A20 : C C3p_endo anti
+A21 : C C3p_endo anti
+A22 : G C3p_endo anti
+A23 : G C3p_endo anti
+A24 : A C3p_endo anti
+A25 : A C3p_endo anti
+A26 : G C2p_exo anti
+A27 : G C2p_exo anti
+A28 : A C3p_endo anti
+A29 : A C3p_endo anti
+A30 : G C3p_endo anti
+A31 : C C3p_endo anti
+A32 : A C3p_endo anti
+A33 : G C3p_endo anti
+A34 : C C3p_endo anti
+A35 : C C3p_endo anti
+A36 : A C3p_endo anti
+A37 : A C3p_endo anti
+A38 : G C3p_endo anti
+A39 : G C3p_endo anti
+A40 : C C3p_endo anti
+A41 : G C3p_endo anti
+A42 : C C3p_endo anti
+A43 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A7-A8 : adjacent_5p outward pairing 
+A8-A9 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+A21-A22 : adjacent_5p upward 
+A23-A24 : adjacent_5p upward 
+A24-A25 : adjacent_5p upward 
+A25-A26 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+A27-A28 : adjacent_5p upward 
+A28-A29 : adjacent_5p upward 
+A29-A30 : adjacent_5p upward 
+A30-A31 : adjacent_5p upward pairing 
+A32-A33 : adjacent_5p upward 
+A33-A34 : adjacent_5p upward 
+A34-A35 : adjacent_5p upward 
+A35-A36 : adjacent_5p upward 
+A38-A39 : adjacent_5p upward 
+A39-A40 : adjacent_5p upward 
+A40-A41 : adjacent_5p upward 
+A41-A42 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-A41 : outward 
+A16-A32 : outward 
+Number of stackings = 34
+Number of adjacent stackings = 32
+Number of non adjacent stackings = 2
+Base-pairs ------------------------------------------------------
+A1-A43 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A42 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A41 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-A40 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-A39 : U-G Ws/Ww pairing antiparallel cis XXVIII 
+A6-A38 : U-G Ww/Hw pairing antiparallel trans one_hbond 
+A7-A8 : U-A O2'/Hh adjacent_5p outward pairing 
+A8-A38 : A-G O2'/Ww pairing 
+A9-A37 : C-A O2'/Bh pairing 
+A9-A38 : C-G O2P/Bs pairing 
+A10-A36 : C-A Bh/O2' pairing 
+A11-A36 : A-A Hw/Ss pairing antiparallel trans one_hbond 41 
+A12-A35 : G-C Ww/Ww pairing antiparallel cis XIX 
+A13-A34 : G-C Ww/Ww pairing antiparallel cis XIX 
+A14-A33 : U-G Ws/Ww pairing antiparallel cis XXVIII 
+A15-A31 : C-C Wh/Ww pairing antiparallel cis one_hbond 131 
+A15-A32 : C-A Ss/Hw O2'/Bh pairing antiparallel trans one_hbond 77 
+A16-A29 : A-A O2P/Bh pairing 
+A16-A30 : A-G O2P/Ww O2P/Ww O2P/Bs pairing 
+A17-A31 : G-C Ww/O2P pairing 
+A18-A29 : G-A Ww/Ww pairing antiparallel cis VIII 
+A18-A30 : G-G Bs/O2' pairing 
+A19-A28 : U-A Ww/Ww pairing antiparallel cis XX 
+A20-A27 : C-G Ww/Ww pairing antiparallel cis XIX 
+A21-A26 : C-G Ww/Ww pairing antiparallel cis XIX 
+A22-A24 : G-A O2'/Bh pairing 
+A22-A25 : G-A Sw/Hh Ww/O2P Bs/O2P pairing antiparallel trans one_hbond 
+A30-A31 : G-C O2P/Bh adjacent_5p upward pairing 
+A36-A37 : A-A O2'/C8 adjacent_5p pairing 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : C C3p_endo anti
+A4 : G C3p_endo anti
+A5 : U C3p_endo anti
+A6 : U C2p_exo anti
+A7 : U C2p_endo anti
+A8 : A C3p_endo anti
+A9 : C C3p_endo anti
+A10 : C C1p_exo anti
+A11 : A C3p_exo syn
+A12 : G C3p_endo anti
+A13 : G C3p_endo anti
+A14 : U C3p_endo anti
+A15 : C C3p_endo anti
+A16 : A C3p_endo anti
+A17 : G C1p_exo anti
+A18 : G C3p_endo anti
+A19 : U C3p_endo anti
+A20 : C C3p_endo anti
+A21 : C C3p_endo anti
+A22 : G C3p_endo anti
+A23 : G C3p_endo anti
+A24 : A C3p_endo anti
+A25 : A C3p_endo anti
+A26 : G C2p_exo anti
+A27 : G C2p_exo anti
+A28 : A C3p_endo anti
+A29 : A C3p_endo anti
+A30 : G C3p_endo anti
+A31 : C C3p_endo anti
+A32 : A C3p_endo anti
+A33 : G C3p_endo anti
+A34 : C C3p_endo anti
+A35 : C C3p_endo anti
+A36 : A C3p_endo anti
+A37 : A C3p_endo anti
+A38 : G C3p_endo anti
+A39 : G C3p_endo anti
+A40 : C C3p_endo anti
+A41 : G C3p_endo anti
+A42 : C C3p_endo anti
+A43 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A7-A8 : adjacent_5p outward 
+A8-A9 : adjacent_5p upward pairing 
+A11-A12 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+A21-A22 : adjacent_5p upward 
+A23-A24 : adjacent_5p upward 
+A24-A25 : adjacent_5p upward 
+A25-A26 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+A27-A28 : adjacent_5p upward 
+A28-A29 : adjacent_5p upward 
+A29-A30 : adjacent_5p upward 
+A32-A33 : adjacent_5p upward 
+A33-A34 : adjacent_5p upward 
+A34-A35 : adjacent_5p upward 
+A35-A36 : adjacent_5p upward 
+A38-A39 : adjacent_5p upward 
+A39-A40 : adjacent_5p upward 
+A40-A41 : adjacent_5p upward 
+A41-A42 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-A41 : outward 
+A16-A32 : outward 
+Number of stackings = 33
+Number of adjacent stackings = 31
+Number of non adjacent stackings = 2
+Base-pairs ------------------------------------------------------
+A1-A43 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A42 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A41 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-A40 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-A39 : U-G Ws/Ww pairing antiparallel cis XXVIII 
+A8-A9 : A-C O2'/Hh adjacent_5p upward pairing 
+A8-A38 : A-G O2'/Ww pairing 
+A9-A37 : C-A Ww/C8 O2'/Bh pairing antiparallel trans one_hbond 
+A9-A38 : C-G O2P/Bs pairing 
+A10-A11 : C-A O2'/Hh adjacent_5p pairing 
+A11-A36 : A-A Hw/Ss pairing antiparallel trans one_hbond 41 
+A12-A35 : G-C Ww/Ww pairing antiparallel cis XIX 
+A13-A34 : G-C Ww/Ww pairing antiparallel cis XIX 
+A14-A33 : U-G Ws/Ww pairing antiparallel cis XXVIII 
+A15-A31 : C-C Wh/Ww pairing antiparallel cis one_hbond 131 
+A15-A32 : C-A O2'/Bh pairing 
+A16-A30 : A-G O2P/Ww O2P/Bs pairing 
+A18-A29 : G-A Ww/Ww pairing antiparallel cis VIII 
+A18-A30 : G-G Bs/O2' pairing 
+A19-A28 : U-A Ww/Ww pairing antiparallel cis XX 
+A20-A27 : C-G Ww/Ww pairing antiparallel cis XIX 
+A21-A26 : C-G Ww/Ww pairing antiparallel cis XIX 
+A22-A24 : G-A O2'/Bh pairing 
+A22-A25 : G-A Sw/Hh Ww/O2P Bs/O2P pairing antiparallel trans one_hbond 
+A30-A31 : G-C O2P/Bh adjacent_5p pairing 
+A36-A37 : A-A O2'/C8 adjacent_5p pairing 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : C C3p_endo anti
+A4 : G C3p_endo anti
+A5 : U C3p_endo anti
+A6 : U C3p_endo anti
+A7 : U C2p_endo anti
+A8 : A C3p_exo anti
+A9 : C C3p_endo syn
+A10 : C C1p_exo anti
+A11 : A C2p_endo syn
+A12 : G C3p_endo anti
+A13 : G C3p_endo anti
+A14 : U C3p_endo anti
+A15 : C C3p_endo anti
+A16 : A C3p_endo anti
+A17 : G O4p_endo anti
+A18 : G C3p_endo anti
+A19 : U C3p_endo anti
+A20 : C C3p_endo anti
+A21 : C C3p_endo anti
+A22 : G C3p_endo anti
+A23 : G C3p_endo anti
+A24 : A C3p_endo anti
+A25 : A C4p_exo anti
+A26 : G C2p_exo anti
+A27 : G C2p_exo anti
+A28 : A C3p_endo anti
+A29 : A C3p_endo anti
+A30 : G C3p_endo anti
+A31 : C C3p_endo anti
+A32 : A C3p_endo anti
+A33 : G C3p_endo anti
+A34 : C C3p_endo anti
+A35 : C C3p_endo anti
+A36 : A C3p_endo anti
+A37 : A C3p_endo anti
+A38 : G C3p_endo anti
+A39 : G C3p_endo anti
+A40 : C C3p_endo anti
+A41 : G C3p_endo anti
+A42 : C C3p_endo anti
+A43 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A7-A8 : adjacent_5p outward 
+A8-A9 : adjacent_5p upward pairing 
+A11-A12 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+A21-A22 : adjacent_5p upward 
+A23-A24 : adjacent_5p upward 
+A24-A25 : adjacent_5p upward 
+A25-A26 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+A27-A28 : adjacent_5p upward 
+A28-A29 : adjacent_5p upward 
+A29-A30 : adjacent_5p upward 
+A32-A33 : adjacent_5p upward 
+A33-A34 : adjacent_5p upward 
+A37-A38 : adjacent_5p upward 
+A38-A39 : adjacent_5p upward 
+A39-A40 : adjacent_5p upward 
+A41-A42 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-A41 : outward 
+A15-A30 : inward 
+A16-A32 : outward 
+Number of stackings = 32
+Number of adjacent stackings = 29
+Number of non adjacent stackings = 3
+Base-pairs ------------------------------------------------------
+A1-A43 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A42 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A41 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-A40 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-A39 : U-G Ws/Ww pairing antiparallel cis XXVIII 
+A6-A38 : U-G Ww/Bh pairing antiparallel trans one_hbond 
+A8-A9 : A-C O2'/Hh adjacent_5p upward pairing 
+A9-A36 : C-A Bh/O2' pairing 
+A9-A37 : C-A Ww/C8 O2'/Bh pairing antiparallel trans one_hbond 
+A9-A38 : C-G O2P/Ww O2P/Bs pairing 
+A10-A36 : C-A Bh/O2' pairing 
+A12-A35 : G-C Ww/Ww pairing antiparallel cis XIX 
+A13-A34 : G-C Ww/Ww pairing antiparallel cis XIX 
+A14-A33 : U-G Ws/Ww pairing antiparallel cis XXVIII 
+A15-A31 : C-C Wh/Ww pairing antiparallel cis one_hbond 131 
+A15-A32 : C-A Ss/Hw O2'/Bh pairing antiparallel trans one_hbond 77 
+A16-A30 : A-G O2P/Ww O2P/Bs pairing 
+A17-A31 : G-C Ww/O2P pairing 
+A18-A29 : G-A Ww/Ww pairing antiparallel cis VIII 
+A18-A30 : G-G Bs/O2' pairing 
+A19-A28 : U-A Ww/Ww pairing antiparallel cis XX 
+A20-A27 : C-G Ww/Ww pairing antiparallel cis XIX 
+A21-A26 : C-G Ww/Ww pairing antiparallel cis XIX 
+A22-A24 : G-A O2'/Bh pairing 
+A22-A25 : G-A Sw/Hh pairing antiparallel trans one_hbond 
+A30-A31 : G-C O2P/Bh adjacent_5p pairing 
+A36-A37 : A-A O2'/C8 adjacent_5p pairing 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : C C3p_endo anti
+A4 : G C3p_endo anti
+A5 : U C3p_endo anti
+A6 : U C3p_endo anti
+A7 : U C2p_endo syn
+A8 : A C3p_exo anti
+A9 : C C3p_endo anti
+A10 : C C1p_exo anti
+A11 : A C2p_endo anti
+A12 : G C3p_endo anti
+A13 : G C3p_endo anti
+A14 : U C3p_endo anti
+A15 : C C3p_endo anti
+A16 : A C3p_endo anti
+A17 : G O4p_endo anti
+A18 : G C3p_endo anti
+A19 : U C3p_endo anti
+A20 : C C3p_endo anti
+A21 : C C3p_endo anti
+A22 : G C3p_endo anti
+A23 : G C3p_endo anti
+A24 : A C3p_endo anti
+A25 : A C3p_endo anti
+A26 : G C2p_exo anti
+A27 : G C2p_exo anti
+A28 : A C3p_endo anti
+A29 : A C3p_endo anti
+A30 : G C3p_endo anti
+A31 : C C3p_endo anti
+A32 : A C3p_endo anti
+A33 : G C3p_endo anti
+A34 : C C3p_endo anti
+A35 : C C3p_endo anti
+A36 : A C3p_endo anti
+A37 : A C3p_endo anti
+A38 : G C3p_endo anti
+A39 : G C3p_endo anti
+A40 : C C3p_endo anti
+A41 : G C3p_endo anti
+A42 : C C3p_endo anti
+A43 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward pairing 
+A8-A9 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+A21-A22 : adjacent_5p upward 
+A23-A24 : adjacent_5p upward 
+A24-A25 : adjacent_5p upward 
+A25-A26 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+A27-A28 : adjacent_5p upward 
+A28-A29 : adjacent_5p upward 
+A29-A30 : adjacent_5p upward 
+A32-A33 : adjacent_5p upward 
+A33-A34 : adjacent_5p upward 
+A35-A36 : adjacent_5p upward 
+A37-A38 : adjacent_5p upward 
+A38-A39 : adjacent_5p upward 
+A39-A40 : adjacent_5p upward 
+A40-A41 : adjacent_5p upward 
+A41-A42 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-A41 : outward 
+A16-A32 : outward 
+Number of stackings = 33
+Number of adjacent stackings = 31
+Number of non adjacent stackings = 2
+Base-pairs ------------------------------------------------------
+A1-A43 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A42 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A41 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-A40 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-A39 : U-G Ws/Ww pairing antiparallel cis XXVIII 
+A6-A7 : U-U O2'/Hh adjacent_5p pairing 
+A6-A38 : U-G Ws/Ww pairing antiparallel cis XXVIII 
+A7-A8 : U-A O2'/Hh adjacent_5p upward pairing 
+A7-A9 : U-C Ww/O2P pairing 
+A7-A37 : U-A Wh/Hw pairing antiparallel trans one_hbond 52 
+A10-A11 : C-A O2'/Hh adjacent_5p pairing 
+A10-A36 : C-A Bh/O2' pairing 
+A11-A36 : A-A Hw/Ss pairing antiparallel trans one_hbond 41 
+A12-A35 : G-C Ww/Ww pairing antiparallel cis XIX 
+A13-A34 : G-C Ww/Ww pairing antiparallel cis XIX 
+A14-A33 : U-G Ws/Ww pairing antiparallel cis XXVIII 
+A15-A31 : C-C Wh/Ww pairing antiparallel cis one_hbond 131 
+A15-A32 : C-A Ss/Hw O2'/Bh pairing antiparallel trans one_hbond 77 
+A16-A30 : A-G O2P/Ww O2P/Bs pairing 
+A17-A31 : G-C Ww/O2P pairing 
+A18-A29 : G-A Ww/Ww pairing antiparallel cis VIII 
+A18-A30 : G-G Bs/O2' pairing 
+A19-A28 : U-A Ww/Ww pairing antiparallel cis XX 
+A20-A27 : C-G Ww/Ww pairing antiparallel cis XIX 
+A21-A26 : C-G Ww/Ww pairing antiparallel cis XIX 
+A22-A24 : G-A O2'/Hh pairing 
+A22-A25 : G-A Sw/Hh Ww/O2P Bs/O2P pairing antiparallel trans one_hbond 
+A30-A31 : G-C O2P/Bh adjacent_5p pairing 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : C C3p_endo anti
+A4 : G C3p_endo anti
+A5 : U C3p_endo anti
+A6 : U C3p_endo anti
+A7 : U C2p_endo syn
+A8 : A C3p_exo anti
+A9 : C C3p_endo anti
+A10 : C C2p_endo anti
+A11 : A C3p_endo anti
+A12 : G C3p_endo anti
+A13 : G C3p_endo anti
+A14 : U C3p_endo anti
+A15 : C C3p_endo anti
+A16 : A C3p_endo anti
+A17 : G O4p_endo anti
+A18 : G C3p_endo anti
+A19 : U C3p_endo anti
+A20 : C C3p_endo anti
+A21 : C C3p_endo anti
+A22 : G C3p_endo anti
+A23 : G C3p_endo anti
+A24 : A C3p_endo anti
+A25 : A C3p_endo anti
+A26 : G C2p_exo anti
+A27 : G C2p_exo anti
+A28 : A C3p_endo anti
+A29 : A C3p_endo anti
+A30 : G C3p_endo anti
+A31 : C C3p_endo anti
+A32 : A C3p_endo anti
+A33 : G C3p_endo anti
+A34 : C C3p_endo anti
+A35 : C C3p_endo anti
+A36 : A C3p_endo anti
+A37 : A C3p_endo anti
+A38 : G C3p_endo anti
+A39 : G C3p_endo anti
+A40 : C C3p_endo anti
+A41 : G C3p_endo anti
+A42 : C C3p_endo anti
+A43 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+A21-A22 : adjacent_5p upward 
+A23-A24 : adjacent_5p upward 
+A24-A25 : adjacent_5p upward 
+A25-A26 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+A27-A28 : adjacent_5p upward 
+A28-A29 : adjacent_5p upward 
+A29-A30 : adjacent_5p upward 
+A32-A33 : adjacent_5p upward 
+A33-A34 : adjacent_5p upward 
+A37-A38 : adjacent_5p upward 
+A38-A39 : adjacent_5p upward 
+A39-A40 : adjacent_5p upward 
+A40-A41 : adjacent_5p upward 
+A41-A42 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-A41 : outward 
+A16-A32 : outward 
+Number of stackings = 31
+Number of adjacent stackings = 29
+Number of non adjacent stackings = 2
+Base-pairs ------------------------------------------------------
+A1-A43 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A42 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A41 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-A40 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-A39 : U-G Ws/Ww pairing antiparallel cis XXVIII 
+A6-A38 : U-G Ww/Hw pairing antiparallel trans one_hbond 
+A7-A8 : U-A O2'/Hh adjacent_5p pairing 
+A7-A9 : U-C Ww/O2P pairing 
+A9-A36 : C-A Ww/Ww pairing antiparallel cis 71 
+A9-A38 : C-G O2P/Bs pairing 
+A12-A35 : G-C Ww/Ww pairing antiparallel cis XIX 
+A13-A34 : G-C Ww/Ww pairing antiparallel cis XIX 
+A14-A33 : U-G Ws/Ww pairing antiparallel cis XXVIII 
+A15-A31 : C-C Wh/Ww pairing antiparallel cis one_hbond 137 
+A15-A32 : C-A Ss/Hw O2'/Bh pairing antiparallel trans one_hbond 77 
+A16-A30 : A-G O2P/Ww O2P/Bs pairing 
+A17-A31 : G-C Ww/O2P pairing 
+A18-A29 : G-A Ww/Ww pairing antiparallel cis VIII 
+A18-A30 : G-G Bs/O2' pairing 
+A19-A28 : U-A Ww/Ww pairing antiparallel cis XX 
+A20-A27 : C-G Ww/Ww pairing antiparallel cis XIX 
+A21-A26 : C-G Ww/Ww pairing antiparallel cis XIX 
+A22-A24 : G-A O2'/Bh O2'/Hh pairing 
+A22-A25 : G-A Sw/Hh Ww/O2P Bs/O2P pairing antiparallel trans one_hbond 
+A30-A31 : G-C O2P/Bh adjacent_5p pairing 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : C C3p_endo anti
+A4 : G C3p_endo anti
+A5 : U C3p_endo anti
+A6 : U C3p_endo anti
+A7 : U C1p_exo syn
+A8 : A C3p_exo anti
+A9 : C C3p_endo anti
+A10 : C C2p_endo anti
+A11 : A C3p_endo anti
+A12 : G C3p_endo anti
+A13 : G C3p_endo anti
+A14 : U C3p_endo anti
+A15 : C C3p_endo anti
+A16 : A C3p_endo anti
+A17 : G O4p_endo anti
+A18 : G C3p_endo anti
+A19 : U C3p_endo anti
+A20 : C C3p_endo anti
+A21 : C C3p_endo anti
+A22 : G C3p_endo anti
+A23 : G C3p_endo anti
+A24 : A C3p_endo anti
+A25 : A C4p_exo anti
+A26 : G C2p_exo anti
+A27 : G C3p_endo anti
+A28 : A C3p_endo anti
+A29 : A C3p_endo anti
+A30 : G C3p_endo anti
+A31 : C C3p_endo anti
+A32 : A C3p_endo anti
+A33 : G C3p_endo anti
+A34 : C C3p_endo anti
+A35 : C C3p_endo anti
+A36 : A C3p_endo anti
+A37 : A C3p_endo anti
+A38 : G C3p_endo anti
+A39 : G C3p_endo anti
+A40 : C C3p_endo anti
+A41 : G C3p_endo anti
+A42 : C C3p_endo anti
+A43 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+A21-A22 : adjacent_5p upward 
+A23-A24 : adjacent_5p upward 
+A24-A25 : adjacent_5p upward 
+A25-A26 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+A27-A28 : adjacent_5p upward 
+A28-A29 : adjacent_5p upward 
+A29-A30 : adjacent_5p upward 
+A32-A33 : adjacent_5p upward 
+A33-A34 : adjacent_5p upward 
+A37-A38 : adjacent_5p upward pairing parallel trans one_hbond 
+A38-A39 : adjacent_5p upward 
+A39-A40 : adjacent_5p upward 
+A41-A42 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-A41 : outward 
+A16-A32 : outward 
+Number of stackings = 31
+Number of adjacent stackings = 29
+Number of non adjacent stackings = 2
+Base-pairs ------------------------------------------------------
+A1-A43 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A42 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A41 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-A40 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-A39 : U-G Ws/Ww pairing antiparallel cis XXVIII 
+A6-A38 : U-G Ww/Bh pairing antiparallel trans one_hbond 
+A7-A38 : U-G Ws/Ws pairing antiparallel cis one_hbond 
+A9-A36 : C-A Ww/Ww pairing antiparallel cis 71 
+A12-A35 : G-C Ww/Ww pairing antiparallel cis XIX 
+A13-A34 : G-C Ww/Ww pairing antiparallel cis XIX 
+A14-A33 : U-G Ws/Ww pairing antiparallel cis XXVIII 
+A15-A31 : C-C Wh/Ww pairing antiparallel cis one_hbond 131 
+A15-A32 : C-A Ss/Hw O2'/Bh pairing antiparallel trans one_hbond 77 
+A16-A30 : A-G O2P/Ww O2P/Bs pairing 
+A18-A29 : G-A Ww/Ww pairing antiparallel cis VIII 
+A18-A30 : G-G Bs/O2' pairing 
+A19-A28 : U-A Ww/Ww pairing antiparallel cis XX 
+A20-A27 : C-G Ww/Ww pairing antiparallel cis XIX 
+A21-A26 : C-G Ww/Ww pairing antiparallel cis XIX 
+A22-A24 : G-A O2'/Bh O2'/Hh Ww/O2P pairing 
+A22-A25 : G-A Sw/Hh pairing antiparallel trans one_hbond 
+A30-A31 : G-C O2P/Bh adjacent_5p pairing 
+A37-A38 : A-G Hw/Ss adjacent_5p upward pairing parallel trans one_hbond 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : C C3p_endo anti
+A4 : G C3p_endo anti
+A5 : U C3p_endo anti
+A6 : U C3p_endo anti
+A7 : U C2p_endo anti
+A8 : A C2p_endo anti
+A9 : C C3p_endo anti
+A10 : C C2p_endo syn
+A11 : A C3p_endo anti
+A12 : G C3p_endo anti
+A13 : G C3p_endo anti
+A14 : U C3p_endo anti
+A15 : C C3p_endo anti
+A16 : A C3p_endo anti
+A17 : G C1p_exo anti
+A18 : G C3p_endo anti
+A19 : U C3p_endo anti
+A20 : C C3p_endo anti
+A21 : C C3p_endo anti
+A22 : G C3p_endo anti
+A23 : G C3p_endo anti
+A24 : A C3p_endo anti
+A25 : A C3p_endo anti
+A26 : G C2p_exo anti
+A27 : G C2p_exo anti
+A28 : A C3p_endo anti
+A29 : A C3p_endo anti
+A30 : G C3p_endo anti
+A31 : C C3p_endo anti
+A32 : A C3p_endo anti
+A33 : G C3p_endo anti
+A34 : C C3p_endo anti
+A35 : C C3p_endo anti
+A36 : A C3p_endo anti
+A37 : A C3p_endo anti
+A38 : G C3p_endo anti
+A39 : G C3p_endo anti
+A40 : C C3p_endo anti
+A41 : G C3p_endo anti
+A42 : C C3p_endo anti
+A43 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+A21-A22 : adjacent_5p upward 
+A24-A25 : adjacent_5p upward 
+A25-A26 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+A27-A28 : adjacent_5p upward 
+A28-A29 : adjacent_5p upward 
+A29-A30 : adjacent_5p upward 
+A32-A33 : adjacent_5p upward 
+A33-A34 : adjacent_5p upward 
+A35-A36 : adjacent_5p upward 
+A37-A38 : adjacent_5p upward 
+A38-A39 : adjacent_5p upward 
+A39-A40 : adjacent_5p upward 
+A41-A42 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-A41 : outward 
+A9-A37 : outward 
+A16-A32 : outward 
+Number of stackings = 30
+Number of adjacent stackings = 27
+Number of non adjacent stackings = 3
+Base-pairs ------------------------------------------------------
+A1-A43 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A42 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A41 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-A40 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-A39 : U-G Ws/Ww pairing antiparallel cis XXVIII 
+A8-A37 : A-A Bh/O2P pairing 
+A10-A36 : C-A O2'/Ww pairing 
+A11-A36 : A-A O2P/Ww O2P/Bh pairing 
+A12-A35 : G-C Ww/Ww pairing antiparallel cis XIX 
+A13-A34 : G-C Ww/Ww pairing antiparallel cis XIX 
+A14-A33 : U-G Ws/Ww pairing antiparallel cis XXVIII 
+A15-A31 : C-C Wh/Ww pairing antiparallel cis one_hbond 131 
+A15-A32 : C-A Ss/Hw O2'/Bh pairing antiparallel trans one_hbond 77 
+A16-A30 : A-G O2P/Ww O2P/Bs pairing 
+A17-A31 : G-C Ww/O2P pairing 
+A18-A29 : G-A Ww/Ww pairing antiparallel cis VIII 
+A18-A30 : G-G Bs/O2' pairing 
+A19-A28 : U-A Ww/Ww pairing antiparallel cis XX 
+A20-A27 : C-G Ww/Ww pairing antiparallel cis XIX 
+A21-A26 : C-G Ww/Ww pairing antiparallel cis XIX 
+A22-A25 : G-A Ws/Hh pairing antiparallel trans one_hbond 54 
+A30-A31 : G-C O2P/Bh adjacent_5p pairing 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : C C3p_endo anti
+A4 : G C3p_endo anti
+A5 : U C3p_endo anti
+A6 : U C3p_endo anti
+A7 : U C2p_endo anti
+A8 : A C3p_exo anti
+A9 : C C3p_endo syn
+A10 : C C1p_exo anti
+A11 : A C3p_exo syn
+A12 : G C3p_endo anti
+A13 : G C3p_endo anti
+A14 : U C3p_endo anti
+A15 : C C3p_endo anti
+A16 : A C3p_endo anti
+A17 : G O4p_endo anti
+A18 : G C3p_endo anti
+A19 : U C3p_endo anti
+A20 : C C3p_endo anti
+A21 : C C3p_endo anti
+A22 : G C3p_endo anti
+A23 : G C3p_endo anti
+A24 : A C3p_endo anti
+A25 : A C3p_endo anti
+A26 : G C2p_exo anti
+A27 : G C2p_exo anti
+A28 : A C3p_endo anti
+A29 : A C3p_endo anti
+A30 : G C3p_endo anti
+A31 : C C3p_endo anti
+A32 : A C3p_endo anti
+A33 : G C3p_endo anti
+A34 : C C3p_endo anti
+A35 : C C3p_endo anti
+A36 : A C3p_endo anti
+A37 : A C3p_endo anti
+A38 : G C3p_endo anti
+A39 : G C3p_endo anti
+A40 : C C3p_endo anti
+A41 : G C3p_endo anti
+A42 : C C3p_endo anti
+A43 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A7-A8 : adjacent_5p outward 
+A8-A9 : adjacent_5p upward pairing 
+A11-A12 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+A21-A22 : adjacent_5p upward 
+A23-A24 : adjacent_5p upward 
+A24-A25 : adjacent_5p upward 
+A25-A26 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+A27-A28 : adjacent_5p upward 
+A28-A29 : adjacent_5p upward 
+A29-A30 : adjacent_5p upward 
+A30-A31 : adjacent_5p upward pairing 
+A32-A33 : adjacent_5p upward 
+A33-A34 : adjacent_5p upward 
+A37-A38 : adjacent_5p upward 
+A38-A39 : adjacent_5p upward 
+A39-A40 : adjacent_5p upward 
+A40-A41 : adjacent_5p upward 
+A41-A42 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-A41 : outward 
+A16-A32 : outward 
+Number of stackings = 33
+Number of adjacent stackings = 31
+Number of non adjacent stackings = 2
+Base-pairs ------------------------------------------------------
+A1-A43 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A42 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A41 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-A40 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-A39 : U-G Ws/Ww pairing antiparallel cis XXVIII 
+A6-A38 : U-G Ww/Hw pairing antiparallel trans one_hbond 
+A8-A9 : A-C O2'/Hh adjacent_5p upward pairing 
+A9-A37 : C-A O2'/Bh pairing 
+A9-A38 : C-G O2P/Ww O2P/Bs pairing 
+A10-A11 : C-A O2'/Hh adjacent_5p pairing 
+A10-A36 : C-A Bh/O2' pairing 
+A11-A36 : A-A Hw/Ss pairing antiparallel trans one_hbond 41 
+A12-A35 : G-C Ww/Ww pairing antiparallel cis XIX 
+A13-A34 : G-C Ww/Ww pairing antiparallel cis XIX 
+A14-A33 : U-G Ws/Ww pairing antiparallel cis XXVIII 
+A15-A31 : C-C Wh/Ww pairing antiparallel cis one_hbond 131 
+A15-A32 : C-A Ss/Hw O2'/Bh pairing antiparallel trans one_hbond 77 
+A16-A30 : A-G O2P/Ww O2P/Bs pairing 
+A17-A31 : G-C Ww/O2P pairing 
+A18-A29 : G-A Ww/Ww pairing antiparallel cis VIII 
+A18-A30 : G-G Bs/O2' pairing 
+A19-A28 : U-A Ww/Ww pairing antiparallel cis XX 
+A20-A27 : C-G Ww/Ww pairing antiparallel cis XIX 
+A21-A26 : C-G Ww/Ww pairing antiparallel cis XIX 
+A22-A24 : G-A O2'/Bh O2'/Hh pairing 
+A22-A25 : G-A Sw/Hh Ww/O2P Bs/O2P pairing antiparallel trans one_hbond 
+A30-A31 : G-C O2P/Bh adjacent_5p upward pairing 
+A36-A37 : A-A O2'/C8 adjacent_5p pairing 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : C C3p_endo anti
+A4 : G C3p_endo anti
+A5 : U C3p_endo anti
+A6 : U C3p_endo anti
+A7 : U C2p_endo anti
+A8 : A C3p_exo anti
+A9 : C C3p_endo syn
+A10 : C C2p_endo anti
+A11 : A C2p_endo syn
+A12 : G C3p_endo anti
+A13 : G C3p_endo anti
+A14 : U C3p_endo anti
+A15 : C C3p_endo anti
+A16 : A C3p_endo anti
+A17 : G C1p_exo anti
+A18 : G C3p_endo anti
+A19 : U C3p_endo anti
+A20 : C C3p_endo anti
+A21 : C C3p_endo anti
+A22 : G C3p_endo anti
+A23 : G C3p_endo anti
+A24 : A C3p_endo anti
+A25 : A C3p_endo anti
+A26 : G C2p_exo anti
+A27 : G C3p_endo anti
+A28 : A C3p_endo anti
+A29 : A C3p_endo anti
+A30 : G C3p_endo anti
+A31 : C C3p_endo anti
+A32 : A C3p_endo anti
+A33 : G C3p_endo anti
+A34 : C C3p_endo anti
+A35 : C C3p_endo anti
+A36 : A C3p_endo anti
+A37 : A C3p_endo anti
+A38 : G C3p_endo anti
+A39 : G C3p_endo anti
+A40 : C C3p_endo anti
+A41 : G C3p_endo anti
+A42 : C C3p_endo anti
+A43 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A7-A8 : adjacent_5p outward 
+A11-A12 : adjacent_5p upward pairing 
+A12-A13 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+A21-A22 : adjacent_5p upward 
+A24-A25 : adjacent_5p upward 
+A25-A26 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+A27-A28 : adjacent_5p upward 
+A28-A29 : adjacent_5p upward 
+A29-A30 : adjacent_5p upward 
+A32-A33 : adjacent_5p upward 
+A33-A34 : adjacent_5p upward 
+A38-A39 : adjacent_5p upward 
+A39-A40 : adjacent_5p upward 
+A40-A41 : adjacent_5p upward 
+A41-A42 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-A41 : outward 
+A16-A32 : outward 
+Number of stackings = 29
+Number of adjacent stackings = 27
+Number of non adjacent stackings = 2
+Base-pairs ------------------------------------------------------
+A1-A43 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A42 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A41 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-A40 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-A39 : U-G Ws/Ww pairing antiparallel cis XXVIII 
+A6-A38 : U-G Ws/Ww pairing antiparallel cis XXVIII 
+A8-A9 : A-C O2'/Hh adjacent_5p pairing 
+A8-A11 : A-A Bh/O2P pairing 
+A9-A37 : C-A O2'/Bh pairing 
+A9-A38 : C-G O2P/Bs pairing 
+A10-A36 : C-A O2'/Ww pairing 
+A10-A37 : C-A O2P/Bh pairing 
+A11-A12 : A-G O2'/Hh adjacent_5p upward pairing 
+A12-A35 : G-C Ww/Ww pairing antiparallel cis XIX 
+A13-A34 : G-C Ww/Ww pairing antiparallel cis XIX 
+A14-A33 : U-G Ws/Ww pairing antiparallel cis XXVIII 
+A15-A31 : C-C Wh/Ww pairing antiparallel cis one_hbond 131 
+A15-A32 : C-A Ss/Hw O2'/Bh pairing antiparallel trans one_hbond 77 
+A16-A30 : A-G O2P/Ww pairing 
+A17-A31 : G-C Ww/O2P pairing 
+A18-A29 : G-A Ww/Ww pairing antiparallel cis VIII 
+A18-A30 : G-G Bs/O2' pairing 
+A19-A28 : U-A Ww/Ww pairing antiparallel cis XX 
+A20-A27 : C-G Ww/Ww pairing antiparallel cis XIX 
+A21-A26 : C-G Ww/Ww pairing antiparallel cis XIX 
+A22-A25 : G-A Ws/Hh pairing antiparallel trans one_hbond 54 
+A30-A31 : G-C O2P/Bh adjacent_5p pairing 
diff --git a/MCdata/1csl_MC b/MCdata/1csl_MC
new file mode 100644
index 0000000000000000000000000000000000000000..437af90fec262bd0a4d905c31f4d1c8d465f5d0d
--- /dev/null
+++ b/MCdata/1csl_MC
@@ -0,0 +1,216 @@
+Residue conformations -------------------------------------------
+A43 : A C3p_endo anti
+A44 : A C3p_endo anti
+A45 : C C3p_endo anti
+A46 : G C3p_endo anti
+A47 : G C3p_endo anti
+A48 : G C3p_endo anti
+A49 : C C3p_endo anti
+A50 : G C3p_endo anti
+A51 : C C3p_endo anti
+A52 : A C3p_endo anti
+A53 : G C3p_endo anti
+A54 : A C3p_endo anti
+A55 : A C3p_endo anti
+B64 : U C3p_endo anti
+B65 : C C3p_endo anti
+B66 : U C3p_endo anti
+B67 : G C3p_endo anti
+B68 : A C3p_endo anti
+B69 : C C3p_endo anti
+B70 : G C3p_endo anti
+B71 : G C2p_endo syn
+B72 : U C2p_endo anti
+B73 : A C3p_endo anti
+B74 : C C3p_endo anti
+B75 : G C3p_endo anti
+B76 : U C3p_endo anti
+B77 : U C3p_endo anti
+B78 : U C3p_endo anti
+A85 : HOH
+A87 : HOH
+A90 : HOH
+A93 : HOH
+A95 : HOH
+A96 : HOH
+A97 : HOH
+A99 : HOH
+A102 : HOH
+A107 : HOH
+A108 : HOH
+A110 : HOH
+A113 : HOH
+A116 : HOH
+A118 : HOH
+A119 : HOH
+A121 : HOH
+A126 : HOH
+A131 : HOH
+A134 : HOH
+A141 : HOH
+A142 : HOH
+A144 : HOH
+A145 : HOH
+A146 : HOH
+A149 : HOH
+A150 : HOH
+A151 : HOH
+A154 : HOH
+A157 : HOH
+A204 : HOH
+A205 : HOH
+A206 : HOH
+A207 : HOH
+A208 : HOH
+A209 : HOH
+A210 : HOH
+A212 : HOH
+A213 : HOH
+A214 : HOH
+A215 : HOH
+A216 : HOH
+A218 : HOH
+A220 : HOH
+A221 : HOH
+A229 : HOH
+A239 : HOH
+A249 : HOH
+A250 : HOH
+A254 : HOH
+A259 : HOH
+A260 : HOH
+A262 : HOH
+A263 : HOH
+A264 : HOH
+A267 : HOH
+A270 : HOH
+A271 : HOH
+A272 : HOH
+A274 : HOH
+A275 : HOH
+B79 : HOH
+B80 : HOH
+B81 : HOH
+B82 : HOH
+B83 : HOH
+B84 : HOH
+B86 : HOH
+B88 : HOH
+B89 : HOH
+B91 : HOH
+B92 : HOH
+B94 : HOH
+B98 : HOH
+B100 : HOH
+B101 : HOH
+B103 : HOH
+B104 : HOH
+B105 : HOH
+B106 : HOH
+B109 : HOH
+B111 : HOH
+B112 : HOH
+B114 : HOH
+B115 : HOH
+B120 : HOH
+B122 : HOH
+B123 : HOH
+B128 : HOH
+B129 : HOH
+B130 : HOH
+B133 : HOH
+B136 : HOH
+B137 : HOH
+B139 : HOH
+B140 : HOH
+B147 : HOH
+B148 : HOH
+B152 : HOH
+B153 : HOH
+B156 : HOH
+B158 : HOH
+B159 : HOH
+B201 : HOH
+B203 : HOH
+B211 : HOH
+B222 : HOH
+B223 : HOH
+B224 : HOH
+B225 : HOH
+B226 : HOH
+B227 : HOH
+B228 : HOH
+B230 : HOH
+B231 : HOH
+B232 : HOH
+B233 : HOH
+B234 : HOH
+B235 : HOH
+B236 : HOH
+B237 : HOH
+B238 : HOH
+B240 : HOH
+B241 : HOH
+B242 : HOH
+B243 : HOH
+B244 : HOH
+B245 : HOH
+B246 : HOH
+B247 : HOH
+B248 : HOH
+B251 : HOH
+B252 : HOH
+B253 : HOH
+B255 : HOH
+B256 : HOH
+B257 : HOH
+B258 : HOH
+B261 : HOH
+B265 : HOH
+B266 : HOH
+B268 : HOH
+B269 : HOH
+B273 : HOH
+Adjacent stackings ----------------------------------------------
+A43-A44 : adjacent_5p upward 
+A44-A45 : adjacent_5p upward 
+A45-A46 : adjacent_5p upward 
+A46-A47 : adjacent_5p upward 
+A47-A48 : adjacent_5p upward 
+A48-A49 : adjacent_5p upward 
+A49-A50 : adjacent_5p upward 
+A50-A51 : adjacent_5p upward 
+A51-A52 : adjacent_5p upward 
+A52-A53 : adjacent_5p upward 
+A53-A54 : adjacent_5p upward 
+A54-A55 : adjacent_5p upward 
+B64-B65 : adjacent_5p upward 
+B65-B66 : adjacent_5p upward 
+B66-B67 : adjacent_5p upward 
+B69-B70 : adjacent_5p upward 
+B70-B71 : adjacent_5p inward 
+B73-B74 : adjacent_5p upward 
+B74-B75 : adjacent_5p upward 
+B75-B76 : adjacent_5p upward 
+B76-B77 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A46-B75 : outward 
+A50-B70 : outward 
+A52-B67 : outward 
+B67-B69 : upward 
+B71-B73 : outward 
+Number of stackings = 26
+Number of adjacent stackings = 21
+Number of non adjacent stackings = 5
+Base-pairs ------------------------------------------------------
+A44-B76 : A-U Ww/Ww pairing antiparallel cis XX 
+A45-B75 : C-G Ww/Ww pairing antiparallel cis XIX 
+A46-B74 : G-C Ww/Ww pairing antiparallel cis XIX 
+A47-B73 : G-A Ww/Ww pairing antiparallel cis VIII 
+A48-B71 : G-G Ww/Hh pairing parallel cis VI 
+A49-B70 : C-G Ww/Ww pairing antiparallel cis XIX 
+A50-B69 : G-C Ww/Ww pairing antiparallel cis XIX 
+A51-B67 : C-G Ww/Ww pairing antiparallel cis XIX 
+A52-B66 : A-U Ww/Ww pairing antiparallel cis XX 
+A53-B65 : G-C Ww/Ww pairing antiparallel cis XIX 
+A54-B64 : A-U Ww/Ww pairing antiparallel cis XX 
diff --git a/MCdata/1cvj_MC b/MCdata/1cvj_MC
new file mode 100644
index 0000000000000000000000000000000000000000..ebf61778382548bf84e82eeb4bff910b52c1b5bb
--- /dev/null
+++ b/MCdata/1cvj_MC
@@ -0,0 +1,1393 @@
+Residue conformations -------------------------------------------
+M1 : A C3p_endo anti
+M2 : A C2p_endo anti
+M3 : A C2p_endo anti
+M4 : A C3p_endo anti
+M5 : A C1p_exo anti
+M6 : A C2p_endo anti
+M7 : A C2p_endo anti
+M8 : A C2p_endo anti
+M9 : A C3p_endo anti
+N1 : A C2p_endo anti
+N2 : A C4p_exo anti
+N3 : A C1p_exo anti
+N4 : A C1p_exo anti
+N5 : A C2p_endo anti
+N6 : A C2p_endo syn
+N7 : A C3p_endo anti
+O1 : A C2p_endo anti
+O2 : A C3p_endo anti
+O3 : A C2p_endo anti
+O4 : A C2p_endo anti
+O5 : A C2p_endo anti
+O6 : A C2p_endo syn
+O7 : A C3p_endo anti
+P1 : A C2p_endo anti
+P2 : A C3p_endo anti
+P3 : A C1p_exo anti
+P4 : A C2p_endo anti
+P5 : A C2p_endo anti
+P6 : A C2p_endo syn
+P7 : A C3p_endo anti
+Q1 : A C2p_endo anti
+Q2 : A C2p_endo anti
+Q3 : A C3p_endo anti
+Q4 : A C1p_exo anti
+Q5 : A C2p_endo anti
+Q6 : A C2p_endo anti
+Q7 : A C2p_endo syn
+Q8 : A C3p_endo anti
+R1 : A C2p_endo anti
+R2 : A C3p_endo anti
+R3 : A C3p_exo anti
+R4 : A C1p_exo anti
+R5 : A C2p_endo anti
+R6 : A C2p_endo syn
+R7 : A C3p_endo anti
+S1 : A C2p_endo anti
+S2 : A C3p_endo anti
+S3 : A C1p_exo anti
+S4 : A C2p_endo anti
+S5 : A C2p_endo anti
+S6 : A C2p_endo syn
+S7 : A C3p_endo anti
+T1 : A C2p_endo anti
+T2 : A C4p_exo anti
+T3 : A C2p_endo anti
+T4 : A C2p_endo anti
+T5 : A C2p_endo anti
+T6 : A C2p_endo anti
+T7 : A C3p_endo anti
+A11 : ALA
+A12 : SER
+A13 : LEU
+A14 : TYR
+A15 : VAL
+A16 : GLY
+A17 : ASP
+A18 : LEU
+A19 : HIS
+A20 : PRO
+A21 : ASP
+A22 : VAL
+A23 : THR
+A24 : GLU
+A25 : ALA
+A26 : MET
+A27 : LEU
+A28 : TYR
+A29 : GLU
+A30 : LYS
+A31 : PHE
+A32 : SER
+A33 : PRO
+A34 : ALA
+A35 : GLY
+A36 : PRO
+A37 : ILE
+A38 : LEU
+A39 : SER
+A40 : ILE
+A41 : ARG
+A42 : VAL
+A43 : CYS
+A44 : ARG
+A45 : ASP
+A46 : MET
+A47 : ILE
+A48 : THR
+A49 : ARG
+A50 : ARG
+A51 : SER
+A52 : LEU
+A53 : GLY
+A54 : TYR
+A55 : ALA
+A56 : TYR
+A57 : VAL
+A58 : ASN
+A59 : PHE
+A60 : GLN
+A61 : GLN
+A62 : PRO
+A63 : ALA
+A64 : ASP
+A65 : ALA
+A66 : GLU
+A67 : ARG
+A68 : ALA
+A69 : LEU
+A70 : ASP
+A71 : THR
+A72 : MET
+A73 : ASN
+A74 : PHE
+A75 : ASP
+A76 : VAL
+A77 : ILE
+A78 : LYS
+A79 : GLY
+A80 : LYS
+A81 : PRO
+A82 : VAL
+A83 : ARG
+A84 : ILE
+A85 : MET
+A86 : TRP
+A87 : SER
+A88 : GLN
+A89 : ARG
+A90 : ASP
+A91 : PRO
+A92 : SER
+A93 : LEU
+A94 : ARG
+A95 : LYS
+A96 : SER
+A97 : GLY
+A98 : VAL
+A99 : GLY
+A100 : ASN
+A101 : ILE
+A102 : PHE
+A103 : ILE
+A104 : LYS
+A105 : ASN
+A106 : LEU
+A107 : ASP
+A108 : LYS
+A109 : SER
+A110 : ILE
+A111 : ASP
+A112 : ASN
+A113 : LYS
+A114 : ALA
+A115 : LEU
+A116 : TYR
+A117 : ASP
+A118 : THR
+A119 : PHE
+A120 : SER
+A121 : ALA
+A122 : PHE
+A123 : GLY
+A124 : ASN
+A125 : ILE
+A126 : LEU
+A127 : SER
+A128 : CYS
+A129 : LYS
+A130 : VAL
+A131 : VAL
+A132 : CYS
+A133 : ASP
+A134 : GLU
+A135 : ASN
+A136 : GLY
+A137 : SER
+A138 : LYS
+A139 : GLY
+A140 : TYR
+A141 : GLY
+A142 : PHE
+A143 : VAL
+A144 : HIS
+A145 : PHE
+A146 : GLU
+A147 : THR
+A148 : GLN
+A149 : GLU
+A150 : ALA
+A151 : ALA
+A152 : GLU
+A153 : ARG
+A154 : ALA
+A155 : ILE
+A156 : GLU
+A157 : LYS
+A158 : MET
+A159 : ASN
+A160 : GLY
+A161 : MET
+A162 : LEU
+A163 : LEU
+A164 : ASN
+A165 : ASP
+A166 : ARG
+A167 : LYS
+A168 : VAL
+A169 : PHE
+A170 : VAL
+A171 : GLY
+A172 : ARG
+A173 : PHE
+A174 : LYS
+A175 : SER
+A176 : ARG
+A177 : LYS
+A178 : GLU
+A179 : ARG
+B11 : ALA
+B12 : SER
+B13 : LEU
+B14 : TYR
+B15 : VAL
+B16 : GLY
+B17 : ASP
+B18 : LEU
+B19 : HIS
+B20 : PRO
+B21 : ASP
+B22 : VAL
+B23 : THR
+B24 : GLU
+B25 : ALA
+B26 : MET
+B27 : LEU
+B28 : TYR
+B29 : GLU
+B30 : LYS
+B31 : PHE
+B32 : SER
+B33 : PRO
+B34 : ALA
+B35 : GLY
+B36 : PRO
+B37 : ILE
+B38 : LEU
+B39 : SER
+B40 : ILE
+B41 : ARG
+B42 : VAL
+B43 : CYS
+B44 : ARG
+B45 : ASP
+B46 : MET
+B47 : ILE
+B48 : THR
+B49 : ARG
+B50 : ARG
+B51 : SER
+B52 : LEU
+B53 : GLY
+B54 : TYR
+B55 : ALA
+B56 : TYR
+B57 : VAL
+B58 : ASN
+B59 : PHE
+B60 : GLN
+B61 : GLN
+B62 : PRO
+B63 : ALA
+B64 : ASP
+B65 : ALA
+B66 : GLU
+B67 : ARG
+B68 : ALA
+B69 : LEU
+B70 : ASP
+B71 : THR
+B72 : MET
+B73 : ASN
+B74 : PHE
+B75 : ASP
+B76 : VAL
+B77 : ILE
+B78 : LYS
+B79 : GLY
+B80 : LYS
+B81 : PRO
+B82 : VAL
+B83 : ARG
+B84 : ILE
+B85 : MET
+B86 : TRP
+B87 : SER
+B88 : GLN
+B89 : ARG
+B90 : ASP
+B91 : PRO
+B92 : SER
+B93 : LEU
+B94 : ARG
+B95 : LYS
+B96 : SER
+B97 : GLY
+B98 : VAL
+B99 : GLY
+B100 : ASN
+B101 : ILE
+B102 : PHE
+B103 : ILE
+B104 : LYS
+B105 : ASN
+B106 : LEU
+B107 : ASP
+B108 : LYS
+B109 : SER
+B110 : ILE
+B111 : ASP
+B112 : ASN
+B113 : LYS
+B114 : ALA
+B115 : LEU
+B116 : TYR
+B117 : ASP
+B118 : THR
+B119 : PHE
+B120 : SER
+B121 : ALA
+B122 : PHE
+B123 : GLY
+B124 : ASN
+B125 : ILE
+B126 : LEU
+B127 : SER
+B128 : CYS
+B129 : LYS
+B130 : VAL
+B131 : VAL
+B132 : CYS
+B137 : SER
+B138 : LYS
+B139 : GLY
+B140 : TYR
+B141 : GLY
+B142 : PHE
+B143 : VAL
+B144 : HIS
+B145 : PHE
+B146 : GLU
+B147 : THR
+B148 : GLN
+B149 : GLU
+B150 : ALA
+B151 : ALA
+B152 : GLU
+B153 : ARG
+B154 : ALA
+B155 : ILE
+B156 : GLU
+B157 : LYS
+B158 : MET
+B159 : ASN
+B170 : VAL
+B171 : GLY
+B172 : ARG
+B173 : PHE
+B174 : LYS
+B175 : SER
+C11 : ALA
+C12 : SER
+C13 : LEU
+C14 : TYR
+C15 : VAL
+C16 : GLY
+C17 : ASP
+C18 : LEU
+C19 : HIS
+C20 : PRO
+C21 : ASP
+C22 : VAL
+C23 : THR
+C24 : GLU
+C25 : ALA
+C26 : MET
+C27 : LEU
+C28 : TYR
+C29 : GLU
+C30 : LYS
+C31 : PHE
+C32 : SER
+C33 : PRO
+C34 : ALA
+C35 : GLY
+C36 : PRO
+C37 : ILE
+C38 : LEU
+C39 : SER
+C40 : ILE
+C41 : ARG
+C42 : VAL
+C43 : CYS
+C44 : ARG
+C45 : ASP
+C46 : MET
+C47 : ILE
+C48 : THR
+C49 : ARG
+C50 : ARG
+C51 : SER
+C52 : LEU
+C53 : GLY
+C54 : TYR
+C55 : ALA
+C56 : TYR
+C57 : VAL
+C58 : ASN
+C59 : PHE
+C60 : GLN
+C61 : GLN
+C62 : PRO
+C63 : ALA
+C64 : ASP
+C65 : ALA
+C66 : GLU
+C67 : ARG
+C68 : ALA
+C69 : LEU
+C70 : ASP
+C71 : THR
+C72 : MET
+C73 : ASN
+C74 : PHE
+C75 : ASP
+C76 : VAL
+C77 : ILE
+C78 : LYS
+C79 : GLY
+C80 : LYS
+C81 : PRO
+C82 : VAL
+C83 : ARG
+C84 : ILE
+C85 : MET
+C86 : TRP
+C87 : SER
+C88 : GLN
+C89 : ARG
+C90 : ASP
+C91 : PRO
+C92 : SER
+C93 : LEU
+C94 : ARG
+C95 : LYS
+C96 : SER
+C97 : GLY
+C98 : VAL
+C99 : GLY
+C100 : ASN
+C101 : ILE
+C102 : PHE
+C103 : ILE
+C104 : LYS
+C105 : ASN
+C106 : LEU
+C107 : ASP
+C108 : LYS
+C109 : SER
+C110 : ILE
+C111 : ASP
+C112 : ASN
+C113 : LYS
+C114 : ALA
+C115 : LEU
+C116 : TYR
+C117 : ASP
+C118 : THR
+C119 : PHE
+C120 : SER
+C121 : ALA
+C122 : PHE
+C123 : GLY
+C124 : ASN
+C125 : ILE
+C126 : LEU
+C127 : SER
+C128 : CYS
+C129 : LYS
+C130 : VAL
+C131 : VAL
+C132 : CYS
+C133 : ASP
+C134 : GLU
+C135 : ASN
+C136 : GLY
+C137 : SER
+C138 : LYS
+C139 : GLY
+C140 : TYR
+C141 : GLY
+C142 : PHE
+C143 : VAL
+C144 : HIS
+C145 : PHE
+C146 : GLU
+C147 : THR
+C148 : GLN
+C149 : GLU
+C150 : ALA
+C151 : ALA
+C152 : GLU
+C153 : ARG
+C154 : ALA
+C155 : ILE
+C156 : GLU
+C157 : LYS
+C158 : MET
+C159 : ASN
+C160 : GLY
+C161 : MET
+C162 : LEU
+C163 : LEU
+C164 : ASN
+C165 : ASP
+C166 : ARG
+C167 : LYS
+C168 : VAL
+C169 : PHE
+C170 : VAL
+C171 : GLY
+C172 : ARG
+C173 : PHE
+C174 : LYS
+C175 : SER
+C176 : ARG
+C177 : LYS
+C178 : GLU
+D11 : ALA
+D12 : SER
+D13 : LEU
+D14 : TYR
+D15 : VAL
+D16 : GLY
+D17 : ASP
+D18 : LEU
+D19 : HIS
+D20 : PRO
+D21 : ASP
+D22 : VAL
+D23 : THR
+D24 : GLU
+D25 : ALA
+D26 : MET
+D27 : LEU
+D28 : TYR
+D29 : GLU
+D30 : LYS
+D31 : PHE
+D32 : SER
+D33 : PRO
+D34 : ALA
+D35 : GLY
+D36 : PRO
+D37 : ILE
+D38 : LEU
+D39 : SER
+D40 : ILE
+D41 : ARG
+D42 : VAL
+D43 : CYS
+D44 : ARG
+D45 : ASP
+D46 : MET
+D47 : ILE
+D48 : THR
+D49 : ARG
+D50 : ARG
+D51 : SER
+D52 : LEU
+D53 : GLY
+D54 : TYR
+D55 : ALA
+D56 : TYR
+D57 : VAL
+D58 : ASN
+D59 : PHE
+D60 : GLN
+D61 : GLN
+D62 : PRO
+D63 : ALA
+D64 : ASP
+D65 : ALA
+D66 : GLU
+D67 : ARG
+D68 : ALA
+D69 : LEU
+D70 : ASP
+D71 : THR
+D72 : MET
+D73 : ASN
+D74 : PHE
+D75 : ASP
+D76 : VAL
+D77 : ILE
+D78 : LYS
+D79 : GLY
+D80 : LYS
+D81 : PRO
+D82 : VAL
+D83 : ARG
+D84 : ILE
+D85 : MET
+D86 : TRP
+D87 : SER
+D88 : GLN
+D89 : ARG
+D90 : ASP
+D91 : PRO
+D92 : SER
+D93 : LEU
+D94 : ARG
+D95 : LYS
+D96 : SER
+D97 : GLY
+D98 : VAL
+D99 : GLY
+D100 : ASN
+D101 : ILE
+D102 : PHE
+D103 : ILE
+D104 : LYS
+D105 : ASN
+D106 : LEU
+D107 : ASP
+D108 : LYS
+D109 : SER
+D110 : ILE
+D111 : ASP
+D112 : ASN
+D113 : LYS
+D114 : ALA
+D115 : LEU
+D116 : TYR
+D117 : ASP
+D118 : THR
+D119 : PHE
+D120 : SER
+D121 : ALA
+D122 : PHE
+D123 : GLY
+D124 : ASN
+D125 : ILE
+D126 : LEU
+D127 : SER
+D128 : CYS
+D129 : LYS
+D130 : VAL
+D131 : VAL
+D132 : CYS
+D137 : SER
+D138 : LYS
+D139 : GLY
+D140 : TYR
+D141 : GLY
+D142 : PHE
+D143 : VAL
+D144 : HIS
+D145 : PHE
+D146 : GLU
+D147 : THR
+D148 : GLN
+D149 : GLU
+D150 : ALA
+D151 : ALA
+D152 : GLU
+D153 : ARG
+D154 : ALA
+D155 : ILE
+D156 : GLU
+D157 : LYS
+D158 : MET
+D159 : ASN
+D160 : GLY
+D161 : MET
+D162 : LEU
+D163 : LEU
+D164 : ASN
+D165 : ASP
+D166 : ARG
+D167 : LYS
+D168 : VAL
+D169 : PHE
+D170 : VAL
+D171 : GLY
+D172 : ARG
+D173 : PHE
+D174 : LYS
+D175 : SER
+E11 : ALA
+E12 : SER
+E13 : LEU
+E14 : TYR
+E15 : VAL
+E16 : GLY
+E17 : ASP
+E18 : LEU
+E19 : HIS
+E20 : PRO
+E21 : ASP
+E22 : VAL
+E23 : THR
+E24 : GLU
+E25 : ALA
+E26 : MET
+E27 : LEU
+E28 : TYR
+E29 : GLU
+E30 : LYS
+E31 : PHE
+E32 : SER
+E33 : PRO
+E34 : ALA
+E35 : GLY
+E36 : PRO
+E37 : ILE
+E38 : LEU
+E39 : SER
+E40 : ILE
+E41 : ARG
+E42 : VAL
+E43 : CYS
+E44 : ARG
+E45 : ASP
+E46 : MET
+E47 : ILE
+E48 : THR
+E49 : ARG
+E50 : ARG
+E51 : SER
+E52 : LEU
+E53 : GLY
+E54 : TYR
+E55 : ALA
+E56 : TYR
+E57 : VAL
+E58 : ASN
+E59 : PHE
+E60 : GLN
+E61 : GLN
+E62 : PRO
+E63 : ALA
+E64 : ASP
+E65 : ALA
+E66 : GLU
+E67 : ARG
+E68 : ALA
+E69 : LEU
+E70 : ASP
+E71 : THR
+E72 : MET
+E73 : ASN
+E74 : PHE
+E75 : ASP
+E76 : VAL
+E77 : ILE
+E78 : LYS
+E79 : GLY
+E80 : LYS
+E81 : PRO
+E82 : VAL
+E83 : ARG
+E84 : ILE
+E85 : MET
+E86 : TRP
+E87 : SER
+E88 : GLN
+E89 : ARG
+E90 : ASP
+E91 : PRO
+E92 : SER
+E93 : LEU
+E94 : ARG
+E95 : LYS
+E96 : SER
+E97 : GLY
+E98 : VAL
+E99 : GLY
+E100 : ASN
+E101 : ILE
+E102 : PHE
+E103 : ILE
+E104 : LYS
+E105 : ASN
+E106 : LEU
+E107 : ASP
+E108 : LYS
+E109 : SER
+E110 : ILE
+E111 : ASP
+E112 : ASN
+E113 : LYS
+E114 : ALA
+E115 : LEU
+E116 : TYR
+E117 : ASP
+E118 : THR
+E119 : PHE
+E120 : SER
+E121 : ALA
+E122 : PHE
+E123 : GLY
+E124 : ASN
+E125 : ILE
+E126 : LEU
+E127 : SER
+E128 : CYS
+E129 : LYS
+E130 : VAL
+E131 : VAL
+E132 : CYS
+E133 : ASP
+E134 : GLU
+E135 : ASN
+E136 : GLY
+E137 : SER
+E138 : LYS
+E139 : GLY
+E140 : TYR
+E141 : GLY
+E142 : PHE
+E143 : VAL
+E144 : HIS
+E145 : PHE
+E146 : GLU
+E147 : THR
+E148 : GLN
+E149 : GLU
+E150 : ALA
+E151 : ALA
+E152 : GLU
+E153 : ARG
+E154 : ALA
+E155 : ILE
+E156 : GLU
+E157 : LYS
+E158 : MET
+E159 : ASN
+E160 : GLY
+E161 : MET
+E162 : LEU
+E163 : LEU
+E164 : ASN
+E165 : ASP
+E166 : ARG
+E167 : LYS
+E168 : VAL
+E169 : PHE
+E170 : VAL
+E171 : GLY
+E172 : ARG
+E173 : PHE
+E174 : LYS
+E175 : SER
+E176 : ARG
+E177 : LYS
+E178 : GLU
+F11 : ALA
+F12 : SER
+F13 : LEU
+F14 : TYR
+F15 : VAL
+F16 : GLY
+F17 : ASP
+F18 : LEU
+F19 : HIS
+F20 : PRO
+F21 : ASP
+F22 : VAL
+F23 : THR
+F24 : GLU
+F25 : ALA
+F26 : MET
+F27 : LEU
+F28 : TYR
+F29 : GLU
+F30 : LYS
+F31 : PHE
+F32 : SER
+F33 : PRO
+F34 : ALA
+F35 : GLY
+F36 : PRO
+F37 : ILE
+F38 : LEU
+F39 : SER
+F40 : ILE
+F41 : ARG
+F42 : VAL
+F43 : CYS
+F44 : ARG
+F45 : ASP
+F46 : MET
+F47 : ILE
+F48 : THR
+F49 : ARG
+F50 : ARG
+F51 : SER
+F52 : LEU
+F53 : GLY
+F54 : TYR
+F55 : ALA
+F56 : TYR
+F57 : VAL
+F58 : ASN
+F59 : PHE
+F60 : GLN
+F61 : GLN
+F62 : PRO
+F63 : ALA
+F64 : ASP
+F65 : ALA
+F66 : GLU
+F67 : ARG
+F68 : ALA
+F69 : LEU
+F70 : ASP
+F71 : THR
+F72 : MET
+F73 : ASN
+F74 : PHE
+F75 : ASP
+F76 : VAL
+F77 : ILE
+F78 : LYS
+F79 : GLY
+F80 : LYS
+F81 : PRO
+F82 : VAL
+F83 : ARG
+F84 : ILE
+F85 : MET
+F86 : TRP
+F87 : SER
+F88 : GLN
+F89 : ARG
+F90 : ASP
+F91 : PRO
+F92 : SER
+F93 : LEU
+F94 : ARG
+F95 : LYS
+F96 : SER
+F97 : GLY
+F98 : VAL
+F99 : GLY
+F100 : ASN
+F101 : ILE
+F112 : ASN
+F113 : LYS
+F114 : ALA
+F115 : LEU
+F116 : TYR
+F117 : ASP
+F118 : THR
+F119 : PHE
+F120 : SER
+F121 : ALA
+F122 : PHE
+F123 : GLY
+F124 : ASN
+F125 : ILE
+F126 : LEU
+F127 : SER
+F128 : CYS
+F129 : LYS
+F130 : VAL
+F131 : VAL
+F132 : CYS
+F137 : SER
+F138 : LYS
+F139 : GLY
+F140 : TYR
+F141 : GLY
+F142 : PHE
+F143 : VAL
+F144 : HIS
+F145 : PHE
+F146 : GLU
+F147 : THR
+F148 : GLN
+F149 : GLU
+F168 : VAL
+F169 : PHE
+F170 : VAL
+F171 : GLY
+F172 : ARG
+F173 : PHE
+G11 : ALA
+G12 : SER
+G13 : LEU
+G14 : TYR
+G15 : VAL
+G16 : GLY
+G17 : ASP
+G18 : LEU
+G19 : HIS
+G20 : PRO
+G21 : ASP
+G22 : VAL
+G23 : THR
+G24 : GLU
+G25 : ALA
+G26 : MET
+G27 : LEU
+G28 : TYR
+G29 : GLU
+G30 : LYS
+G31 : PHE
+G32 : SER
+G33 : PRO
+G34 : ALA
+G35 : GLY
+G36 : PRO
+G37 : ILE
+G38 : LEU
+G39 : SER
+G40 : ILE
+G41 : ARG
+G42 : VAL
+G43 : CYS
+G44 : ARG
+G45 : ASP
+G46 : MET
+G47 : ILE
+G48 : THR
+G49 : ARG
+G50 : ARG
+G51 : SER
+G52 : LEU
+G53 : GLY
+G54 : TYR
+G55 : ALA
+G56 : TYR
+G57 : VAL
+G58 : ASN
+G59 : PHE
+G60 : GLN
+G61 : GLN
+G62 : PRO
+G63 : ALA
+G64 : ASP
+G65 : ALA
+G66 : GLU
+G67 : ARG
+G68 : ALA
+G69 : LEU
+G70 : ASP
+G71 : THR
+G72 : MET
+G73 : ASN
+G74 : PHE
+G75 : ASP
+G76 : VAL
+G77 : ILE
+G78 : LYS
+G79 : GLY
+G80 : LYS
+G81 : PRO
+G82 : VAL
+G83 : ARG
+G84 : ILE
+G85 : MET
+G86 : TRP
+G87 : SER
+G88 : GLN
+G89 : ARG
+G90 : ASP
+G91 : PRO
+G92 : SER
+G93 : LEU
+G94 : ARG
+G95 : LYS
+G96 : SER
+G97 : GLY
+G98 : VAL
+G99 : GLY
+G100 : ASN
+G101 : ILE
+G102 : PHE
+G103 : ILE
+G104 : LYS
+G105 : ASN
+G106 : LEU
+G107 : ASP
+G108 : LYS
+G109 : SER
+G110 : ILE
+G111 : ASP
+G112 : ASN
+G113 : LYS
+G114 : ALA
+G115 : LEU
+G116 : TYR
+G117 : ASP
+G118 : THR
+G119 : PHE
+G120 : SER
+G121 : ALA
+G122 : PHE
+G123 : GLY
+G124 : ASN
+G125 : ILE
+G126 : LEU
+G127 : SER
+G128 : CYS
+G129 : LYS
+G130 : VAL
+G131 : VAL
+G132 : CYS
+G133 : ASP
+G134 : GLU
+G135 : ASN
+G136 : GLY
+G137 : SER
+G138 : LYS
+G139 : GLY
+G140 : TYR
+G141 : GLY
+G142 : PHE
+G143 : VAL
+G144 : HIS
+G145 : PHE
+G146 : GLU
+G147 : THR
+G148 : GLN
+G149 : GLU
+G150 : ALA
+G151 : ALA
+G152 : GLU
+G153 : ARG
+G154 : ALA
+G155 : ILE
+G156 : GLU
+G157 : LYS
+G158 : MET
+G159 : ASN
+G160 : GLY
+G161 : MET
+G162 : LEU
+G163 : LEU
+G164 : ASN
+G165 : ASP
+G166 : ARG
+G167 : LYS
+G168 : VAL
+G169 : PHE
+G170 : VAL
+G171 : GLY
+G172 : ARG
+G173 : PHE
+G174 : LYS
+G175 : SER
+H11 : ALA
+H12 : SER
+H13 : LEU
+H14 : TYR
+H15 : VAL
+H16 : GLY
+H17 : ASP
+H18 : LEU
+H19 : HIS
+H20 : PRO
+H21 : ASP
+H22 : VAL
+H23 : THR
+H24 : GLU
+H25 : ALA
+H26 : MET
+H27 : LEU
+H28 : TYR
+H29 : GLU
+H30 : LYS
+H31 : PHE
+H32 : SER
+H33 : PRO
+H34 : ALA
+H35 : GLY
+H36 : PRO
+H37 : ILE
+H38 : LEU
+H39 : SER
+H40 : ILE
+H41 : ARG
+H42 : VAL
+H43 : CYS
+H44 : ARG
+H45 : ASP
+H46 : MET
+H47 : ILE
+H48 : THR
+H49 : ARG
+H50 : ARG
+H51 : SER
+H52 : LEU
+H53 : GLY
+H54 : TYR
+H55 : ALA
+H56 : TYR
+H57 : VAL
+H58 : ASN
+H59 : PHE
+H60 : GLN
+H61 : GLN
+H62 : PRO
+H63 : ALA
+H64 : ASP
+H65 : ALA
+H66 : GLU
+H67 : ARG
+H68 : ALA
+H69 : LEU
+H70 : ASP
+H71 : THR
+H72 : MET
+H73 : ASN
+H74 : PHE
+H75 : ASP
+H76 : VAL
+H77 : ILE
+H78 : LYS
+H79 : GLY
+H80 : LYS
+H81 : PRO
+H82 : VAL
+H83 : ARG
+H84 : ILE
+H85 : MET
+H86 : TRP
+H87 : SER
+H88 : GLN
+H89 : ARG
+H90 : ASP
+H91 : PRO
+H92 : SER
+H93 : LEU
+H94 : ARG
+H95 : LYS
+H96 : SER
+H97 : GLY
+H98 : VAL
+H99 : GLY
+H100 : ASN
+H101 : ILE
+H102 : PHE
+H103 : ILE
+H113 : LYS
+H114 : ALA
+H115 : LEU
+H116 : TYR
+H117 : ASP
+H118 : THR
+H119 : PHE
+H120 : SER
+H121 : ALA
+H122 : PHE
+H123 : GLY
+H124 : ASN
+H125 : ILE
+H126 : LEU
+H127 : SER
+H128 : CYS
+H129 : LYS
+H130 : VAL
+H131 : VAL
+H132 : CYS
+H137 : SER
+H138 : LYS
+H139 : GLY
+H140 : TYR
+H141 : GLY
+H142 : PHE
+H143 : VAL
+H144 : HIS
+H145 : PHE
+H146 : GLU
+H147 : THR
+H148 : GLN
+H149 : GLU
+H150 : ALA
+H151 : ALA
+H152 : GLU
+H173 : PHE
+H174 : LYS
+H175 : SER
+N992 : A C3p_endo anti
+O993 : A C3p_endo anti
+Q995 : A C3p_endo anti
+S997 : A C3p_endo anti
+A991 : A C3p_endo anti
+D994 : A C3p_endo anti
+F996 : A C3p_endo anti
+H998 : A C3p_endo anti
+N104 : HOH
+N145 : HOH
+O130 : HOH
+O135 : HOH
+P149 : HOH
+Q137 : HOH
+Q139 : HOH
+Q144 : HOH
+T118 : HOH
+T152 : HOH
+A992 : HOH
+A993 : HOH
+A994 : HOH
+A995 : HOH
+A996 : HOH
+A997 : HOH
+A998 : HOH
+B191 : HOH
+B192 : HOH
+B193 : HOH
+B194 : HOH
+B195 : HOH
+C191 : HOH
+C192 : HOH
+C193 : HOH
+C194 : HOH
+C195 : HOH
+C196 : HOH
+C197 : HOH
+D995 : HOH
+D996 : HOH
+D997 : HOH
+E191 : HOH
+E192 : HOH
+E193 : HOH
+E194 : HOH
+E195 : HOH
+E196 : HOH
+E197 : HOH
+E198 : HOH
+E199 : HOH
+E200 : HOH
+E201 : HOH
+F997 : HOH
+F998 : HOH
+F999 : HOH
+G191 : HOH
+G192 : HOH
+H999 : HOH
+H1000 : HOH
+H1001 : HOH
+H1002 : HOH
+H1003 : HOH
+Adjacent stackings ----------------------------------------------
+M1-M2 : adjacent_5p upward 
+M4-M5 : adjacent_5p upward 
+N2-N3 : adjacent_5p upward 
+O2-O3 : adjacent_5p upward 
+P2-P3 : adjacent_5p upward 
+Q3-Q4 : adjacent_5p upward 
+R2-R3 : adjacent_5p upward 
+S2-S3 : adjacent_5p upward 
+T2-T3 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A991-M8 : inward 
+D994-P6 : inward 
+F996-R6 : inward 
+H998-T6 : inward 
+M7-P5 : outward 
+N5-Q6 : outward 
+N6-N992 : inward 
+O5-R5 : outward 
+O6-O993 : inward 
+Q7-Q995 : inward 
+S5-T5 : outward 
+S6-S997 : inward 
+Number of stackings = 21
+Number of adjacent stackings = 9
+Number of non adjacent stackings = 12
+Base-pairs ------------------------------------------------------
diff --git a/MCdata/1cwp_MC b/MCdata/1cwp_MC
new file mode 100644
index 0000000000000000000000000000000000000000..86a35093bac04a6f4ca611a21f1272d487ee9f2b
--- /dev/null
+++ b/MCdata/1cwp_MC
@@ -0,0 +1,501 @@
+Residue conformations -------------------------------------------
+A42 : LYS
+A43 : ALA
+A44 : ILE
+A45 : LYS
+A46 : ALA
+A47 : TRP
+A48 : THR
+A49 : GLY
+A50 : TYR
+A51 : SER
+A52 : VAL
+A53 : SER
+A54 : LYS
+A55 : TRP
+A56 : THR
+A57 : ALA
+A58 : SER
+A59 : CYS
+A60 : ALA
+A61 : ALA
+A62 : ALA
+A63 : GLU
+A64 : ALA
+A65 : LYS
+A66 : VAL
+A67 : THR
+A68 : SER
+A69 : ALA
+A70 : ILE
+A71 : THR
+A72 : ILE
+A73 : SER
+A74 : LEU
+A75 : PRO
+A76 : ASN
+A77 : GLU
+A78 : LEU
+A79 : SER
+A80 : SER
+A81 : GLU
+A82 : ARG
+A83 : ASN
+A84 : LYS
+A85 : GLN
+A86 : LEU
+A87 : LYS
+A88 : VAL
+A89 : GLY
+A90 : ARG
+A91 : VAL
+A92 : LEU
+A93 : LEU
+A94 : TRP
+A95 : LEU
+A96 : GLY
+A97 : LEU
+A98 : LEU
+A99 : PRO
+A100 : SER
+A101 : VAL
+A102 : SER
+A103 : GLY
+A104 : THR
+A105 : VAL
+A106 : LYS
+A107 : SER
+A108 : CYS
+A109 : VAL
+A110 : THR
+A111 : GLU
+A112 : THR
+A113 : GLN
+A114 : THR
+A115 : THR
+A116 : ALA
+A117 : ALA
+A118 : ALA
+A119 : SER
+A120 : PHE
+A121 : GLN
+A122 : VAL
+A123 : ALA
+A124 : LEU
+A125 : ALA
+A126 : VAL
+A127 : ALA
+A128 : ASP
+A129 : ASN
+A130 : SER
+A131 : LYS
+A132 : ASP
+A133 : VAL
+A134 : VAL
+A135 : ALA
+A136 : ALA
+A137 : MET
+A138 : TYR
+A139 : PRO
+A140 : GLU
+A141 : ALA
+A142 : PHE
+A143 : LYS
+A144 : GLY
+A145 : ILE
+A146 : THR
+A147 : LEU
+A148 : GLU
+A149 : GLN
+A150 : LEU
+A151 : ALA
+A152 : ALA
+A153 : ASP
+A154 : LEU
+A155 : THR
+A156 : ILE
+A157 : TYR
+A158 : LEU
+A159 : TYR
+A160 : SER
+A161 : SER
+A162 : ALA
+A163 : ALA
+A164 : LEU
+A165 : THR
+A166 : GLU
+A167 : GLY
+A168 : ASP
+A169 : VAL
+A170 : ILE
+A171 : VAL
+A172 : HIS
+A173 : LEU
+A174 : GLU
+A175 : VAL
+A176 : GLU
+A177 : HIS
+A178 : VAL
+A179 : ARG
+A180 : PRO
+A181 : THR
+A182 : PHE
+A183 : ASP
+A184 : ASP
+A185 : SER
+A186 : PHE
+A187 : THR
+A188 : PRO
+A189 : VAL
+A190 : TYR
+B27 : VAL
+B28 : VAL
+B29 : GLN
+B30 : PRO
+B31 : VAL
+B32 : ILE
+B33 : VAL
+B34 : GLU
+B35 : PRO
+B36 : ILE
+B37 : ALA
+B38 : SER
+B39 : GLY
+B40 : GLN
+B41 : GLY
+B42 : LYS
+B43 : ALA
+B44 : ILE
+B45 : LYS
+B46 : ALA
+B47 : TRP
+B48 : THR
+B49 : GLY
+B50 : TYR
+B51 : SER
+B52 : VAL
+B53 : SER
+B54 : LYS
+B55 : TRP
+B56 : THR
+B57 : ALA
+B58 : SER
+B59 : CYS
+B60 : ALA
+B61 : ALA
+B62 : ALA
+B63 : GLU
+B64 : ALA
+B65 : LYS
+B66 : VAL
+B67 : THR
+B68 : SER
+B69 : ALA
+B70 : ILE
+B71 : THR
+B72 : ILE
+B73 : SER
+B74 : LEU
+B75 : PRO
+B76 : ASN
+B77 : GLU
+B78 : LEU
+B79 : SER
+B80 : SER
+B81 : GLU
+B82 : ARG
+B83 : ASN
+B84 : LYS
+B85 : GLN
+B86 : LEU
+B87 : LYS
+B88 : VAL
+B89 : GLY
+B90 : ARG
+B91 : VAL
+B92 : LEU
+B93 : LEU
+B94 : TRP
+B95 : LEU
+B96 : GLY
+B97 : LEU
+B98 : LEU
+B99 : PRO
+B100 : SER
+B101 : VAL
+B102 : SER
+B103 : GLY
+B104 : THR
+B105 : VAL
+B106 : LYS
+B107 : SER
+B108 : CYS
+B109 : VAL
+B110 : THR
+B111 : GLU
+B112 : THR
+B113 : GLN
+B114 : THR
+B115 : THR
+B116 : ALA
+B117 : ALA
+B118 : ALA
+B119 : SER
+B120 : PHE
+B121 : GLN
+B122 : VAL
+B123 : ALA
+B124 : LEU
+B125 : ALA
+B126 : VAL
+B127 : ALA
+B128 : ASP
+B129 : ASN
+B130 : SER
+B131 : LYS
+B132 : ASP
+B133 : VAL
+B134 : VAL
+B135 : ALA
+B136 : ALA
+B137 : MET
+B138 : TYR
+B139 : PRO
+B140 : GLU
+B141 : ALA
+B142 : PHE
+B143 : LYS
+B144 : GLY
+B145 : ILE
+B146 : THR
+B147 : LEU
+B148 : GLU
+B149 : GLN
+B150 : LEU
+B151 : ALA
+B152 : ALA
+B153 : ASP
+B154 : LEU
+B155 : THR
+B156 : ILE
+B157 : TYR
+B158 : LEU
+B159 : TYR
+B160 : SER
+B161 : SER
+B162 : ALA
+B163 : ALA
+B164 : LEU
+B165 : THR
+B166 : GLU
+B167 : GLY
+B168 : ASP
+B169 : VAL
+B170 : ILE
+B171 : VAL
+B172 : HIS
+B173 : LEU
+B174 : GLU
+B175 : VAL
+B176 : GLU
+B177 : HIS
+B178 : VAL
+B179 : ARG
+B180 : PRO
+B181 : THR
+B182 : PHE
+B183 : ASP
+B184 : ASP
+B185 : SER
+B186 : PHE
+B187 : THR
+B188 : PRO
+B189 : VAL
+B190 : TYR
+C27 : VAL
+C28 : VAL
+C29 : GLN
+C30 : PRO
+C31 : VAL
+C32 : ILE
+C33 : VAL
+C34 : GLU
+C35 : PRO
+C36 : ILE
+C37 : ALA
+C38 : SER
+C39 : GLY
+C40 : GLN
+C41 : GLY
+C42 : LYS
+C43 : ALA
+C44 : ILE
+C45 : LYS
+C46 : ALA
+C47 : TRP
+C48 : THR
+C49 : GLY
+C50 : TYR
+C51 : SER
+C52 : VAL
+C53 : SER
+C54 : LYS
+C55 : TRP
+C56 : THR
+C57 : ALA
+C58 : SER
+C59 : CYS
+C60 : ALA
+C61 : ALA
+C62 : ALA
+C63 : GLU
+C64 : ALA
+C65 : LYS
+C66 : VAL
+C67 : THR
+C68 : SER
+C69 : ALA
+C70 : ILE
+C71 : THR
+C72 : ILE
+C73 : SER
+C74 : LEU
+C75 : PRO
+C76 : ASN
+C77 : GLU
+C78 : LEU
+C79 : SER
+C80 : SER
+C81 : GLU
+C82 : ARG
+C83 : ASN
+C84 : LYS
+C85 : GLN
+C86 : LEU
+C87 : LYS
+C88 : VAL
+C89 : GLY
+C90 : ARG
+C91 : VAL
+C92 : LEU
+C93 : LEU
+C94 : TRP
+C95 : LEU
+C96 : GLY
+C97 : LEU
+C98 : LEU
+C99 : PRO
+C100 : SER
+C101 : VAL
+C102 : SER
+C103 : GLY
+C104 : THR
+C105 : VAL
+C106 : LYS
+C107 : SER
+C108 : CYS
+C109 : VAL
+C110 : THR
+C111 : GLU
+C112 : THR
+C113 : GLN
+C114 : THR
+C115 : THR
+C116 : ALA
+C117 : ALA
+C118 : ALA
+C119 : SER
+C120 : PHE
+C121 : GLN
+C122 : VAL
+C123 : ALA
+C124 : LEU
+C125 : ALA
+C126 : VAL
+C127 : ALA
+C128 : ASP
+C129 : ASN
+C130 : SER
+C131 : LYS
+C132 : ASP
+C133 : VAL
+C134 : VAL
+C135 : ALA
+C136 : ALA
+C137 : MET
+C138 : TYR
+C139 : PRO
+C140 : GLU
+C141 : ALA
+C142 : PHE
+C143 : LYS
+C144 : GLY
+C145 : ILE
+C146 : THR
+C147 : LEU
+C148 : GLU
+C149 : GLN
+C150 : LEU
+C151 : ALA
+C152 : ALA
+C153 : ASP
+C154 : LEU
+C155 : THR
+C156 : ILE
+C157 : TYR
+C158 : LEU
+C159 : TYR
+C160 : SER
+C161 : SER
+C162 : ALA
+C163 : ALA
+C164 : LEU
+C165 : THR
+C166 : GLU
+C167 : GLY
+C168 : ASP
+C169 : VAL
+C170 : ILE
+C171 : VAL
+C172 : HIS
+C173 : LEU
+C174 : GLU
+C175 : VAL
+C176 : GLU
+C177 : HIS
+C178 : VAL
+C179 : ARG
+C180 : PRO
+C181 : THR
+C182 : PHE
+C183 : ASP
+C184 : ASP
+C185 : SER
+C186 : PHE
+C187 : THR
+C188 : PRO
+C189 : VAL
+C190 : TYR
+D201 : A C3p_endo syn
+D202 : U C3p_endo anti
+D203 : A C3p_endo anti
+D204 : U C3p_endo anti
+E201 : A C3p_endo syn
+E202 : U C3p_endo anti
+F201 : A C3p_endo syn
+F202 : U C3p_endo anti
+F203 : A C3p_endo anti
+F204 : U C3p_endo anti
+Adjacent stackings ----------------------------------------------
+D201-D202 : adjacent_5p outward 
+D202-D203 : adjacent_5p upward 
+D203-D204 : adjacent_5p upward 
+E201-E202 : adjacent_5p outward 
+F201-F202 : adjacent_5p outward 
+F202-F203 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 6
+Number of adjacent stackings = 6
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+F203-F204 : A-U O2'/Hh adjacent_5p pairing 
diff --git a/MCdata/1cx5_MC b/MCdata/1cx5_MC
new file mode 100644
index 0000000000000000000000000000000000000000..733f6377a0cbd9300c78cdb220ef9fe9cc5aa980
--- /dev/null
+++ b/MCdata/1cx5_MC
@@ -0,0 +1,63 @@
+Residue conformations -------------------------------------------
+A1 : C O4p_endo anti
+A2 : G C2p_endo anti
+A3 : C C1p_exo syn
+A4 : G O4p_endo anti
+A5 : T C4p_exo anti
+A6 : T C3p_endo anti
+A7 : MMT
+A8 : T C2p_endo anti
+A9 : G C1p_exo anti
+A10 : C C1p_exo anti
+A11 : G C1p_exo anti
+A12 : C C1p_exo anti
+B101 : G C4p_exo anti
+B102 : C C3p_endo anti
+B103 : G C3p_endo anti
+B104 : C C4p_exo anti
+B105 : A C3p_endo anti
+B106 : A C2p_exo anti
+B107 : A C3p_endo anti
+B108 : A C3p_endo anti
+B109 : C C3p_endo anti
+B110 : G C3p_endo anti
+B111 : C C3p_endo anti
+B112 : G C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+B101-B102 : adjacent_5p upward 
+B102-B103 : adjacent_5p upward 
+B103-B104 : adjacent_5p upward 
+B105-B106 : adjacent_5p upward 
+B106-B107 : adjacent_5p upward 
+B107-B108 : adjacent_5p upward 
+B108-B109 : adjacent_5p upward 
+B109-B110 : adjacent_5p upward 
+B110-B111 : adjacent_5p upward 
+B111-B112 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-B110 : outward 
+A11-B103 : outward 
+Number of stackings = 20
+Number of adjacent stackings = 18
+Number of non adjacent stackings = 2
+Base-pairs ------------------------------------------------------
+A1-B112 : C-G Ww/Ww pairing antiparallel cis XIX 
+A2-B111 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-B110 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-B109 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-B108 : T-A Ww/Ww pairing antiparallel cis 
+A6-B107 : T-A Ww/Ww pairing antiparallel cis one_hbond 
+A7-B106 : MMT-A pairing antiparallel one_hbond 
+A8-B105 : T-A Ww/Ww pairing antiparallel cis 
+A9-B104 : G-C Ww/Ww pairing antiparallel cis XIX 
+A10-B103 : C-G Ww/Ww pairing antiparallel cis XIX 
+A11-B102 : G-C Ww/Ww pairing antiparallel cis XIX 
+A12-B101 : C-G Ww/Ww pairing antiparallel cis XIX 
diff --git a/MCdata/1d0t_MC b/MCdata/1d0t_MC
new file mode 100644
index 0000000000000000000000000000000000000000..55803c7d0236c0ceb868a9e5525c22e035eda76e
--- /dev/null
+++ b/MCdata/1d0t_MC
@@ -0,0 +1,423 @@
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : G C3p_endo anti
+A4 : SRA
+A5 : U C3p_endo anti
+A6 : C C3p_endo anti
+A7 : SRA
+A8 : C C3p_endo anti
+A9 : C C3p_endo anti
+A10 : SRA
+A11 : U C3p_exo anti
+A12 : U C3p_exo anti
+A13 : SRA
+A14 : G C3p_endo anti
+A15 : G C3p_endo anti
+A16 : G C3p_endo anti
+A17 : SRA
+A18 : U C3p_endo anti
+A19 : C C3p_endo anti
+A20 : U C3p_endo anti
+A21 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 8
+Number of adjacent stackings = 8
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A1-A21 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A20 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+A3-A19 : G-C Ww/Ww pairing antiparallel cis XIX 
+A6-A16 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-A15 : C-G Ww/Ww pairing antiparallel cis XIX 
+A9-A14 : C-G Ww/Ww pairing antiparallel cis XIX 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : G C3p_endo anti
+A4 : SRA
+A5 : U C3p_endo anti
+A6 : C C3p_endo anti
+A7 : SRA
+A8 : C C3p_endo anti
+A9 : C C3p_endo anti
+A10 : SRA
+A11 : U C3p_exo anti
+A12 : U C3p_exo anti
+A13 : SRA
+A14 : G C3p_endo anti
+A15 : G C3p_endo anti
+A16 : G C3p_endo anti
+A17 : SRA
+A18 : U C3p_endo anti
+A19 : C C3p_endo anti
+A20 : U C3p_endo anti
+A21 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 6
+Number of adjacent stackings = 6
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A1-A21 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A20 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+A3-A19 : G-C Ww/Ww pairing antiparallel cis XIX 
+A6-A16 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-A15 : C-G Ww/Ww pairing antiparallel cis XIX 
+A9-A14 : C-G Ww/Ww pairing antiparallel cis XIX 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : G C3p_endo anti
+A4 : SRA
+A5 : U C3p_endo anti
+A6 : C C3p_endo anti
+A7 : SRA
+A8 : C C3p_endo anti
+A9 : C C3p_endo anti
+A10 : SRA
+A11 : U C3p_exo anti
+A12 : U C3p_exo anti
+A13 : SRA
+A14 : G C3p_endo anti
+A15 : G C3p_endo anti
+A16 : G C3p_endo anti
+A17 : SRA
+A18 : U C3p_endo anti
+A19 : C C3p_endo anti
+A20 : U C3p_endo anti
+A21 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 9
+Number of adjacent stackings = 9
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A1-A21 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A20 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+A3-A19 : G-C Ww/Ww pairing antiparallel cis XIX 
+A6-A16 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-A15 : C-G Ww/Ww pairing antiparallel cis XIX 
+A9-A14 : C-G Ww/Ww pairing antiparallel cis XIX 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : G C3p_endo anti
+A4 : SRA
+A5 : U C3p_endo anti
+A6 : C C3p_endo anti
+A7 : SRA
+A8 : C C3p_endo anti
+A9 : C C3p_endo anti
+A10 : SRA
+A11 : U C3p_exo anti
+A12 : U C3p_exo anti
+A13 : SRA
+A14 : G C3p_endo anti
+A15 : G C3p_endo anti
+A16 : G C3p_endo anti
+A17 : SRA
+A18 : U C3p_endo anti
+A19 : C C3p_endo anti
+A20 : U C3p_endo anti
+A21 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 8
+Number of adjacent stackings = 8
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A1-A21 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A20 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+A3-A19 : G-C Ww/Ww pairing antiparallel cis XIX 
+A6-A16 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-A15 : C-G Ww/Ww pairing antiparallel cis XIX 
+A9-A14 : C-G Ww/Ww pairing antiparallel cis XIX 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : G C3p_endo anti
+A4 : SRA
+A5 : U C3p_endo anti
+A6 : C C3p_endo anti
+A7 : SRA
+A8 : C C3p_endo anti
+A9 : C C3p_endo anti
+A10 : SRA
+A11 : U C3p_exo anti
+A12 : U C3p_exo anti
+A13 : SRA
+A14 : G C3p_endo anti
+A15 : G C3p_endo anti
+A16 : G C3p_endo anti
+A17 : SRA
+A18 : U C3p_endo anti
+A19 : C C3p_endo anti
+A20 : U C3p_endo anti
+A21 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 8
+Number of adjacent stackings = 8
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A1-A21 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A20 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+A3-A19 : G-C Ww/Ww pairing antiparallel cis XIX 
+A6-A16 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-A15 : C-G Ww/Ww pairing antiparallel cis XIX 
+A9-A14 : C-G Ww/Ww pairing antiparallel cis XIX 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : G C3p_endo anti
+A4 : SRA
+A5 : U C3p_endo anti
+A6 : C C3p_endo anti
+A7 : SRA
+A8 : C C3p_endo anti
+A9 : C C3p_endo anti
+A10 : SRA
+A11 : U C3p_exo anti
+A12 : U C3p_exo anti
+A13 : SRA
+A14 : G C3p_endo anti
+A15 : G C3p_endo anti
+A16 : G C3p_endo anti
+A17 : SRA
+A18 : U C3p_endo anti
+A19 : C C3p_endo anti
+A20 : U C3p_endo anti
+A21 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 8
+Number of adjacent stackings = 8
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A1-A21 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A20 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+A3-A19 : G-C Ww/Ww pairing antiparallel cis XIX 
+A6-A16 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-A15 : C-G Ww/Ww pairing antiparallel cis XIX 
+A9-A14 : C-G Ww/Ww pairing antiparallel cis XIX 
+A11-A12 : U-U O2'/Hh adjacent_5p pairing 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : G C3p_endo anti
+A4 : SRA
+A5 : U C3p_endo anti
+A6 : C C3p_endo anti
+A7 : SRA
+A8 : C C3p_endo anti
+A9 : C C3p_endo anti
+A10 : SRA
+A11 : U C3p_exo anti
+A12 : U C3p_exo anti
+A13 : SRA
+A14 : G C3p_endo anti
+A15 : G C3p_endo anti
+A16 : G C3p_endo anti
+A17 : SRA
+A18 : U C3p_endo anti
+A19 : C C3p_endo anti
+A20 : U C3p_endo anti
+A21 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 8
+Number of adjacent stackings = 8
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A1-A21 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A20 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+A3-A19 : G-C Ww/Ww pairing antiparallel cis XIX 
+A6-A16 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-A15 : C-G Ww/Ww pairing antiparallel cis XIX 
+A9-A14 : C-G Ww/Ww pairing antiparallel cis XIX 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : G C3p_endo anti
+A4 : SRA
+A5 : U C3p_endo anti
+A6 : C C3p_endo anti
+A7 : SRA
+A8 : C C3p_endo anti
+A9 : C C3p_endo anti
+A10 : SRA
+A11 : U C3p_exo anti
+A12 : U C3p_exo anti
+A13 : SRA
+A14 : G C3p_endo anti
+A15 : G C3p_endo anti
+A16 : G C3p_endo anti
+A17 : SRA
+A18 : U C3p_endo anti
+A19 : C C3p_endo anti
+A20 : U C3p_endo anti
+A21 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 8
+Number of adjacent stackings = 8
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A1-A21 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A20 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+A3-A19 : G-C Ww/Ww pairing antiparallel cis XIX 
+A6-A16 : C-G Ww/Ww pairing antiparallel cis XIX 
+A7-A14 : SRA-G pairing parallel one_hbond 
+A8-A15 : C-G Ww/Ww pairing antiparallel cis XIX 
+A9-A14 : C-G Ww/Ww pairing antiparallel cis XIX 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : G C3p_endo anti
+A4 : SRA
+A5 : U C3p_endo anti
+A6 : C C3p_endo anti
+A7 : SRA
+A8 : C C3p_endo anti
+A9 : C C3p_endo anti
+A10 : SRA
+A11 : U C3p_exo anti
+A12 : U C3p_exo anti
+A13 : SRA
+A14 : G C3p_endo anti
+A15 : G C3p_endo anti
+A16 : G C3p_endo anti
+A17 : SRA
+A18 : U C3p_endo anti
+A19 : C C3p_endo anti
+A20 : U C3p_endo anti
+A21 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 8
+Number of adjacent stackings = 8
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A1-A21 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A20 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+A3-A19 : G-C Ww/Ww pairing antiparallel cis XIX 
+A6-A16 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-A15 : C-G Ww/Ww pairing antiparallel cis XIX 
+A9-A14 : C-G Ww/Ww pairing antiparallel cis XIX 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : G C3p_endo anti
+A4 : SRA
+A5 : U C3p_endo anti
+A6 : C C3p_endo anti
+A7 : SRA
+A8 : C C3p_endo anti
+A9 : C C3p_endo anti
+A10 : SRA
+A11 : U C3p_exo anti
+A12 : U C3p_exo anti
+A13 : SRA
+A14 : G C3p_endo anti
+A15 : G C3p_endo anti
+A16 : G C3p_endo anti
+A17 : SRA
+A18 : U C3p_endo anti
+A19 : C C3p_endo anti
+A20 : U C3p_endo anti
+A21 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A8-A16 : outward 
+Number of stackings = 10
+Number of adjacent stackings = 9
+Number of non adjacent stackings = 1
+Base-pairs ------------------------------------------------------
+A1-A21 : G-C Ww/Ww pairing antiparallel cis 130 
+A2-A20 : G-U Wh/Ws pairing antiparallel cis one_hbond 
+A3-A19 : G-C Ww/Ww pairing antiparallel cis XIX 
+A6-A16 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-A15 : C-G Ww/Ww pairing antiparallel cis XIX 
+A9-A14 : C-G Ww/Ww pairing antiparallel cis XIX 
diff --git a/MCdata/1d0u_MC b/MCdata/1d0u_MC
new file mode 100644
index 0000000000000000000000000000000000000000..8626fbe24ab03def2230b49f1f0b47f05477dba1
--- /dev/null
+++ b/MCdata/1d0u_MC
@@ -0,0 +1,1232 @@
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : G C3p_endo anti
+A4 : A C3p_endo anti
+A5 : U C3p_endo anti
+A6 : C C3p_endo anti
+A7 : A C3p_endo anti
+A8 : C C3p_endo anti
+A9 : C C3p_endo anti
+A10 : A C3p_endo anti
+A11 : U C3p_exo anti
+A12 : U C3p_exo anti
+A13 : A C2p_endo anti
+A14 : G C3p_endo anti
+A15 : G C3p_endo anti
+A16 : G C3p_endo anti
+A17 : A C3p_endo anti
+A18 : U C3p_endo anti
+A19 : C C3p_endo anti
+A20 : U C3p_endo anti
+A21 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 17
+Number of adjacent stackings = 17
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A1-A21 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A20 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+A3-A19 : G-C Ww/Ww pairing antiparallel cis XIX 
+A4-A18 : A-U Ww/Ww pairing antiparallel cis XX 
+A5-A17 : U-A Ww/Ww pairing antiparallel cis XX 
+A6-A16 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-A15 : C-G Ww/Ww pairing antiparallel cis XIX 
+A9-A14 : C-G Ww/Ww pairing antiparallel cis XIX 
+A10-A14 : A-G O2'/Bs pairing 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : G C3p_endo anti
+A4 : A C3p_endo anti
+A5 : U C3p_endo anti
+A6 : C C3p_endo anti
+A7 : A C3p_exo anti
+A8 : C C3p_endo anti
+A9 : C C3p_endo anti
+A10 : A C3p_endo anti
+A11 : U C3p_exo anti
+A12 : U C3p_exo anti
+A13 : A C2p_endo anti
+A14 : G C3p_endo anti
+A15 : G C3p_endo anti
+A16 : G C3p_endo anti
+A17 : A C3p_endo anti
+A18 : U C3p_endo anti
+A19 : C C3p_endo anti
+A20 : U C3p_endo anti
+A21 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 17
+Number of adjacent stackings = 17
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A1-A21 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A20 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+A3-A19 : G-C Ww/Ww pairing antiparallel cis XIX 
+A4-A18 : A-U Ww/Ww pairing antiparallel cis XX 
+A5-A17 : U-A Ww/Ww pairing antiparallel cis XX 
+A6-A16 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-A15 : C-G Ww/Ww pairing antiparallel cis XIX 
+A9-A14 : C-G Ww/Ww pairing antiparallel cis XIX 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : G C3p_endo anti
+A4 : A C3p_endo anti
+A5 : U C3p_endo anti
+A6 : C C3p_endo anti
+A7 : A C3p_endo anti
+A8 : C C3p_endo anti
+A9 : C C3p_endo anti
+A10 : A C3p_endo anti
+A11 : U C3p_exo anti
+A12 : U C3p_exo anti
+A13 : A C1p_exo anti
+A14 : G C3p_endo anti
+A15 : G C3p_endo anti
+A16 : G C3p_endo anti
+A17 : A C3p_endo anti
+A18 : U C3p_endo anti
+A19 : C C3p_endo anti
+A20 : U C3p_endo anti
+A21 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 17
+Number of adjacent stackings = 17
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A1-A21 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A20 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+A3-A19 : G-C Ww/Ww pairing antiparallel cis XIX 
+A4-A18 : A-U Ww/Ww pairing antiparallel cis XX 
+A5-A17 : U-A Ww/Ww pairing antiparallel cis XX 
+A6-A16 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-A15 : C-G Ww/Ww pairing antiparallel cis XIX 
+A9-A14 : C-G Ww/Ww pairing antiparallel cis XIX 
+A10-A14 : A-G O2'/Bs pairing 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : G C3p_endo anti
+A4 : A C3p_endo anti
+A5 : U C3p_endo anti
+A6 : C C3p_endo anti
+A7 : A C3p_endo anti
+A8 : C C3p_endo anti
+A9 : C C3p_endo anti
+A10 : A C3p_endo anti
+A11 : U C3p_exo anti
+A12 : U C3p_exo anti
+A13 : A C1p_exo anti
+A14 : G C3p_endo anti
+A15 : G C3p_endo anti
+A16 : G C3p_endo anti
+A17 : A C3p_endo anti
+A18 : U C3p_endo anti
+A19 : C C3p_endo anti
+A20 : U C3p_endo anti
+A21 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 17
+Number of adjacent stackings = 17
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A1-A21 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A20 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+A3-A19 : G-C Ww/Ww pairing antiparallel cis XIX 
+A4-A18 : A-U Ww/Ww pairing antiparallel cis XX 
+A5-A17 : U-A Ww/Ww pairing antiparallel cis XX 
+A6-A16 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-A15 : C-G Ww/Ww pairing antiparallel cis XIX 
+A9-A14 : C-G Ww/Ww pairing antiparallel cis XIX 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : G C3p_endo anti
+A4 : A C3p_endo anti
+A5 : U C3p_endo anti
+A6 : C C3p_endo anti
+A7 : A C3p_endo anti
+A8 : C C3p_endo anti
+A9 : C C3p_endo anti
+A10 : A C3p_endo anti
+A11 : U C3p_exo anti
+A12 : U C3p_exo anti
+A13 : A C1p_exo anti
+A14 : G C3p_endo anti
+A15 : G C3p_endo anti
+A16 : G C3p_endo anti
+A17 : A C3p_endo anti
+A18 : U C3p_endo anti
+A19 : C C3p_endo anti
+A20 : U C3p_endo anti
+A21 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 17
+Number of adjacent stackings = 17
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A1-A21 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A20 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+A3-A19 : G-C Ww/Ww pairing antiparallel cis XIX 
+A4-A18 : A-U Ww/Ww pairing antiparallel cis XX 
+A5-A17 : U-A Ww/Ww pairing antiparallel cis XX 
+A6-A16 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-A15 : C-G Ww/Ww pairing antiparallel cis XIX 
+A9-A14 : C-G Ww/Ww pairing antiparallel cis XIX 
+A10-A14 : A-G O2'/Bs pairing 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : G C3p_endo anti
+A4 : A C3p_endo anti
+A5 : U C3p_endo anti
+A6 : C C3p_endo anti
+A7 : A C3p_endo anti
+A8 : C C3p_endo anti
+A9 : C C3p_endo anti
+A10 : A C3p_endo anti
+A11 : U C3p_exo anti
+A12 : U C3p_exo anti
+A13 : A C2p_endo anti
+A14 : G C3p_endo anti
+A15 : G C3p_endo anti
+A16 : G C3p_endo anti
+A17 : A C3p_endo anti
+A18 : U C3p_endo anti
+A19 : C C3p_endo anti
+A20 : U C3p_endo anti
+A21 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 16
+Number of adjacent stackings = 16
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A1-A21 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A20 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+A3-A19 : G-C Ww/Ww pairing antiparallel cis XIX 
+A4-A18 : A-U Ww/Ww pairing antiparallel cis XX 
+A5-A17 : U-A Ww/Ww pairing antiparallel cis XX 
+A6-A16 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-A15 : C-G Ww/Ww pairing antiparallel cis XIX 
+A9-A14 : C-G Ww/Ww pairing antiparallel cis XIX 
+A10-A13 : A-A Bs/Ww pairing antiparallel cis one_hbond 
+A10-A14 : A-G O2'/Bs pairing 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : G C3p_endo anti
+A4 : A C3p_endo anti
+A5 : U C3p_endo anti
+A6 : C C3p_endo anti
+A7 : A C3p_endo anti
+A8 : C C3p_endo anti
+A9 : C C3p_endo anti
+A10 : A C3p_endo anti
+A11 : U C3p_exo anti
+A12 : U C3p_exo anti
+A13 : A C1p_exo anti
+A14 : G C3p_endo anti
+A15 : G C3p_endo anti
+A16 : G C3p_endo anti
+A17 : A C3p_endo anti
+A18 : U C3p_endo anti
+A19 : C C3p_endo anti
+A20 : U C3p_endo anti
+A21 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 17
+Number of adjacent stackings = 17
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A1-A21 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A20 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+A3-A19 : G-C Ww/Ww pairing antiparallel cis XIX 
+A4-A18 : A-U Ww/Ww pairing antiparallel cis XX 
+A5-A17 : U-A Ww/Ww pairing antiparallel cis XX 
+A6-A16 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-A15 : C-G Ww/Ww pairing antiparallel cis XIX 
+A9-A14 : C-G Ww/Ww pairing antiparallel cis XIX 
+A10-A13 : A-A Bs/Ww pairing antiparallel cis one_hbond 
+A10-A14 : A-G O2'/Bs pairing 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : G C3p_endo anti
+A4 : A C3p_endo anti
+A5 : U C3p_endo anti
+A6 : C C3p_endo anti
+A7 : A C3p_endo anti
+A8 : C C3p_endo anti
+A9 : C C3p_endo anti
+A10 : A C3p_endo anti
+A11 : U C3p_exo anti
+A12 : U C3p_exo anti
+A13 : A C2p_endo anti
+A14 : G C3p_endo anti
+A15 : G C3p_endo anti
+A16 : G C3p_endo anti
+A17 : A C3p_endo anti
+A18 : U C3p_endo anti
+A19 : C C3p_endo anti
+A20 : U C3p_endo anti
+A21 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 17
+Number of adjacent stackings = 17
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A1-A21 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A20 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+A3-A19 : G-C Ww/Ww pairing antiparallel cis XIX 
+A4-A18 : A-U Ww/Ww pairing antiparallel cis XX 
+A5-A17 : U-A Ww/Ww pairing antiparallel cis XX 
+A6-A16 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-A15 : C-G Ww/Ww pairing antiparallel cis XIX 
+A9-A14 : C-G Ww/Ww pairing antiparallel cis XIX 
+A10-A13 : A-A Bs/Ww pairing antiparallel cis one_hbond 
+A10-A14 : A-G O2'/Bs pairing 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : G C3p_endo anti
+A4 : A C3p_endo anti
+A5 : U C3p_endo anti
+A6 : C C3p_endo anti
+A7 : A C3p_endo anti
+A8 : C C3p_endo anti
+A9 : C C3p_endo anti
+A10 : A C3p_endo anti
+A11 : U C3p_exo anti
+A12 : U C3p_exo anti
+A13 : A C2p_endo anti
+A14 : G C3p_endo anti
+A15 : G C3p_endo anti
+A16 : G C3p_endo anti
+A17 : A C3p_endo anti
+A18 : U C3p_endo anti
+A19 : C C3p_endo anti
+A20 : U C3p_endo anti
+A21 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 16
+Number of adjacent stackings = 16
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A1-A21 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A20 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+A3-A19 : G-C Ww/Ww pairing antiparallel cis XIX 
+A4-A18 : A-U Ww/Ww pairing antiparallel cis XX 
+A5-A17 : U-A Ww/Ww pairing antiparallel cis XX 
+A6-A16 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-A15 : C-G Ww/Ww pairing antiparallel cis XIX 
+A9-A14 : C-G Ww/Ww pairing antiparallel cis XIX 
+A10-A13 : A-A Bs/Ww pairing antiparallel cis one_hbond 
+A10-A14 : A-G O2'/Bs pairing 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : G C3p_endo anti
+A4 : A C3p_endo anti
+A5 : U C3p_endo anti
+A6 : C C3p_endo anti
+A7 : A C3p_endo anti
+A8 : C C3p_endo anti
+A9 : C C3p_endo anti
+A10 : A C3p_endo anti
+A11 : U C3p_exo anti
+A12 : U C3p_exo anti
+A13 : A C1p_exo anti
+A14 : G C3p_endo anti
+A15 : G C3p_endo anti
+A16 : G C3p_endo anti
+A17 : A C3p_endo anti
+A18 : U C3p_endo anti
+A19 : C C3p_endo anti
+A20 : U C3p_endo anti
+A21 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 17
+Number of adjacent stackings = 17
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A1-A21 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A20 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+A3-A19 : G-C Ww/Ww pairing antiparallel cis XIX 
+A4-A18 : A-U Ww/Ww pairing antiparallel cis XX 
+A5-A17 : U-A Ww/Ww pairing antiparallel cis XX 
+A6-A16 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-A15 : C-G Ww/Ww pairing antiparallel cis XIX 
+A9-A14 : C-G Ww/Ww pairing antiparallel cis XIX 
+A10-A13 : A-A Bs/Ww pairing antiparallel cis one_hbond 
+A10-A14 : A-G O2'/Bs pairing 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : G C3p_endo anti
+A4 : A C3p_endo anti
+A5 : U C3p_endo anti
+A6 : C C3p_endo anti
+A7 : A C3p_endo anti
+A8 : C C3p_endo anti
+A9 : C C3p_endo anti
+A10 : A C3p_endo anti
+A11 : U C3p_exo anti
+A12 : U C3p_exo anti
+A13 : A C2p_endo anti
+A14 : G C3p_endo anti
+A15 : G C3p_endo anti
+A16 : G C3p_endo anti
+A17 : A C3p_endo anti
+A18 : U C3p_endo anti
+A19 : C C3p_endo anti
+A20 : U C3p_endo anti
+A21 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A7-A16 : outward 
+Number of stackings = 18
+Number of adjacent stackings = 17
+Number of non adjacent stackings = 1
+Base-pairs ------------------------------------------------------
+A1-A21 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A20 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+A3-A19 : G-C Ww/Ww pairing antiparallel cis XIX 
+A4-A18 : A-U Ww/Ww pairing antiparallel cis XX 
+A5-A17 : U-A Ww/Ww pairing antiparallel cis XX 
+A6-A16 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-A15 : C-G Ww/Ww pairing antiparallel cis XIX 
+A9-A14 : C-G Ww/Ww pairing antiparallel cis XIX 
+A10-A13 : A-A Bs/Ww pairing antiparallel cis one_hbond 
+A10-A14 : A-G O2'/Bs pairing 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : G C3p_endo anti
+A4 : A C3p_endo anti
+A5 : U C3p_endo anti
+A6 : C C3p_endo anti
+A7 : A C3p_endo anti
+A8 : C C3p_endo anti
+A9 : C C3p_endo anti
+A10 : A C3p_endo anti
+A11 : U C3p_exo anti
+A12 : U C3p_exo anti
+A13 : A C2p_endo anti
+A14 : G C3p_endo anti
+A15 : G C3p_endo anti
+A16 : G C3p_endo anti
+A17 : A C3p_endo anti
+A18 : U C3p_endo anti
+A19 : C C3p_endo anti
+A20 : U C3p_endo anti
+A21 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 17
+Number of adjacent stackings = 17
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A1-A21 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A20 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+A3-A19 : G-C Ww/Ww pairing antiparallel cis XIX 
+A4-A18 : A-U Ww/Ww pairing antiparallel cis XX 
+A5-A17 : U-A Ww/Ww pairing antiparallel cis XX 
+A6-A16 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-A15 : C-G Ww/Ww pairing antiparallel cis XIX 
+A9-A14 : C-G Ww/Ww pairing antiparallel cis XIX 
+A10-A14 : A-G O2'/Bs pairing 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : G C3p_endo anti
+A4 : A C3p_endo anti
+A5 : U C3p_endo anti
+A6 : C C3p_endo anti
+A7 : A C3p_exo anti
+A8 : C C3p_endo anti
+A9 : C C3p_endo anti
+A10 : A C3p_endo anti
+A11 : U C3p_exo anti
+A12 : U C3p_exo anti
+A13 : A C3p_exo anti
+A14 : G C3p_endo anti
+A15 : G C3p_endo anti
+A16 : G C3p_endo anti
+A17 : A C3p_endo anti
+A18 : U C3p_endo anti
+A19 : C C3p_endo anti
+A20 : U C3p_endo anti
+A21 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 15
+Number of adjacent stackings = 15
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A1-A21 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A20 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+A3-A19 : G-C Ww/Ww pairing antiparallel cis XIX 
+A4-A18 : A-U Ww/Ww pairing antiparallel cis XX 
+A5-A17 : U-A Ww/Ww pairing antiparallel cis XX 
+A6-A16 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-A15 : C-G Ww/Ww pairing antiparallel cis XIX 
+A9-A14 : C-G Ww/Ww pairing antiparallel cis XIX 
+A12-A13 : U-A O2P/Hh adjacent_5p pairing 
+A13-A14 : A-G O2'/Hh adjacent_5p pairing 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : G C3p_endo anti
+A4 : A C3p_endo anti
+A5 : U C3p_endo anti
+A6 : C C3p_endo anti
+A7 : A C3p_exo anti
+A8 : C C3p_endo anti
+A9 : C C3p_endo anti
+A10 : A C3p_endo anti
+A11 : U C3p_exo anti
+A12 : U C3p_exo anti
+A13 : A C2p_exo anti
+A14 : G C3p_endo anti
+A15 : G C3p_endo anti
+A16 : G C3p_endo anti
+A17 : A C3p_endo anti
+A18 : U C3p_endo anti
+A19 : C C3p_endo anti
+A20 : U C3p_endo anti
+A21 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 16
+Number of adjacent stackings = 16
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A1-A21 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A20 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+A3-A19 : G-C Ww/Ww pairing antiparallel cis XIX 
+A4-A18 : A-U Ww/Ww pairing antiparallel cis XX 
+A5-A17 : U-A Ww/Ww pairing antiparallel cis XX 
+A6-A16 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-A15 : C-G Ww/Ww pairing antiparallel cis XIX 
+A9-A14 : C-G Ww/Ww pairing antiparallel cis XIX 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : G C3p_endo anti
+A4 : A C3p_endo anti
+A5 : U C3p_endo anti
+A6 : C C3p_endo anti
+A7 : A C3p_exo anti
+A8 : C C3p_endo anti
+A9 : C C3p_endo anti
+A10 : A C3p_endo anti
+A11 : U C3p_exo anti
+A12 : U C3p_exo anti
+A13 : A C1p_exo anti
+A14 : G C3p_endo anti
+A15 : G C3p_endo anti
+A16 : G C3p_endo anti
+A17 : A C3p_endo anti
+A18 : U C3p_endo anti
+A19 : C C3p_endo anti
+A20 : U C3p_endo anti
+A21 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 16
+Number of adjacent stackings = 16
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A1-A21 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A20 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+A3-A19 : G-C Ww/Ww pairing antiparallel cis XIX 
+A4-A18 : A-U Ww/Ww pairing antiparallel cis XX 
+A5-A17 : U-A Ww/Ww pairing antiparallel cis XX 
+A6-A16 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-A15 : C-G Ww/Ww pairing antiparallel cis XIX 
+A9-A14 : C-G Ww/Ww pairing antiparallel cis XIX 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : G C3p_endo anti
+A4 : A C3p_endo anti
+A5 : U C3p_endo anti
+A6 : C C3p_endo anti
+A7 : A C3p_exo anti
+A8 : C C3p_endo anti
+A9 : C C3p_endo anti
+A10 : A C3p_endo anti
+A11 : U C3p_exo anti
+A12 : U C3p_exo anti
+A13 : A C1p_exo anti
+A14 : G C3p_endo anti
+A15 : G C3p_endo anti
+A16 : G C3p_endo anti
+A17 : A C3p_endo anti
+A18 : U C3p_endo anti
+A19 : C C3p_endo anti
+A20 : U C3p_endo anti
+A21 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 15
+Number of adjacent stackings = 15
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A1-A21 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A20 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+A3-A19 : G-C Ww/Ww pairing antiparallel cis XIX 
+A4-A18 : A-U Ww/Ww pairing antiparallel cis XX 
+A5-A17 : U-A Ww/Ww pairing antiparallel cis XX 
+A6-A16 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-A15 : C-G Ww/Ww pairing antiparallel cis XIX 
+A9-A14 : C-G Ww/Ww pairing antiparallel cis XIX 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : G C3p_endo anti
+A4 : A C3p_endo anti
+A5 : U C3p_endo anti
+A6 : C C3p_endo anti
+A7 : A C3p_exo anti
+A8 : C C3p_endo anti
+A9 : C C3p_endo anti
+A10 : A C3p_endo anti
+A11 : U C3p_exo anti
+A12 : U C3p_exo anti
+A13 : A C1p_exo anti
+A14 : G C3p_endo anti
+A15 : G C3p_endo anti
+A16 : G C3p_endo anti
+A17 : A C3p_endo anti
+A18 : U C3p_endo anti
+A19 : C C3p_endo anti
+A20 : U C3p_endo anti
+A21 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 17
+Number of adjacent stackings = 17
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A1-A21 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A20 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+A3-A19 : G-C Ww/Ww pairing antiparallel cis XIX 
+A4-A18 : A-U Ww/Ww pairing antiparallel cis XX 
+A5-A17 : U-A Ww/Ww pairing antiparallel cis XX 
+A6-A16 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-A15 : C-G Ww/Ww pairing antiparallel cis XIX 
+A9-A14 : C-G Ww/Ww pairing antiparallel cis XIX 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : G C3p_endo anti
+A4 : A C3p_endo anti
+A5 : U C3p_endo anti
+A6 : C C3p_endo anti
+A7 : A C3p_exo anti
+A8 : C C3p_endo anti
+A9 : C C3p_endo anti
+A10 : A C3p_endo anti
+A11 : U C3p_exo anti
+A12 : U C3p_exo anti
+A13 : A C1p_exo anti
+A14 : G C3p_endo anti
+A15 : G C3p_endo anti
+A16 : G C3p_endo anti
+A17 : A C3p_endo anti
+A18 : U C3p_endo anti
+A19 : C C3p_endo anti
+A20 : U C3p_endo anti
+A21 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 17
+Number of adjacent stackings = 17
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A1-A21 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A20 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+A3-A19 : G-C Ww/Ww pairing antiparallel cis XIX 
+A4-A18 : A-U Ww/Ww pairing antiparallel cis XX 
+A5-A17 : U-A Ww/Ww pairing antiparallel cis XX 
+A6-A16 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-A15 : C-G Ww/Ww pairing antiparallel cis XIX 
+A9-A14 : C-G Ww/Ww pairing antiparallel cis XIX 
+A10-A13 : A-A Bs/Ww pairing antiparallel cis one_hbond 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : G C3p_endo anti
+A4 : A C3p_endo anti
+A5 : U C3p_endo anti
+A6 : C C3p_endo anti
+A7 : A C3p_exo anti
+A8 : C C3p_endo anti
+A9 : C C3p_endo anti
+A10 : A C3p_endo anti
+A11 : U C3p_exo anti
+A12 : U C3p_exo anti
+A13 : A C2p_endo anti
+A14 : G C3p_endo anti
+A15 : G C3p_endo anti
+A16 : G C3p_endo anti
+A17 : A C3p_endo anti
+A18 : U C3p_endo anti
+A19 : C C3p_endo anti
+A20 : U C3p_endo anti
+A21 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 16
+Number of adjacent stackings = 16
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A1-A21 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A20 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+A3-A19 : G-C Ww/Ww pairing antiparallel cis XIX 
+A4-A18 : A-U Ww/Ww pairing antiparallel cis XX 
+A5-A17 : U-A Ww/Ww pairing antiparallel cis XX 
+A6-A16 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-A15 : C-G Ww/Ww pairing antiparallel cis XIX 
+A9-A14 : C-G Ww/Ww pairing antiparallel cis XIX 
+A10-A14 : A-G O2'/Bs pairing 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : G C3p_endo anti
+A4 : A C3p_endo anti
+A5 : U C3p_endo anti
+A6 : C C3p_endo anti
+A7 : A C3p_exo anti
+A8 : C C3p_endo anti
+A9 : C C3p_endo anti
+A10 : A C3p_endo anti
+A11 : U C3p_exo anti
+A12 : U C3p_exo anti
+A13 : A C2p_endo anti
+A14 : G C3p_endo anti
+A15 : G C3p_endo anti
+A16 : G C3p_endo anti
+A17 : A C3p_endo anti
+A18 : U C3p_endo anti
+A19 : C C3p_endo anti
+A20 : U C3p_endo anti
+A21 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 16
+Number of adjacent stackings = 16
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A1-A21 : G-C Ww/Ww pairing antiparallel cis 130 
+A2-A20 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+A3-A19 : G-C Ww/Ww pairing antiparallel cis XIX 
+A4-A18 : A-U Ww/Ww pairing antiparallel cis XX 
+A5-A17 : U-A Ww/Ww pairing antiparallel cis XX 
+A6-A16 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-A15 : C-G Ww/Ww pairing antiparallel cis XIX 
+A9-A14 : C-G Ww/Ww pairing antiparallel cis XIX 
+A10-A13 : A-A Bs/Ww pairing antiparallel cis one_hbond 
+A10-A14 : A-G O2'/Bs pairing 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : G C3p_endo anti
+A4 : A C3p_endo anti
+A5 : U C3p_endo anti
+A6 : C C3p_endo anti
+A7 : A C3p_exo anti
+A8 : C C3p_endo anti
+A9 : C C3p_endo anti
+A10 : A C3p_endo anti
+A11 : U C3p_exo anti
+A12 : U C3p_exo anti
+A13 : A C2p_endo anti
+A14 : G C3p_endo anti
+A15 : G C3p_endo anti
+A16 : G C3p_endo anti
+A17 : A C3p_endo anti
+A18 : U C3p_endo anti
+A19 : C C3p_endo anti
+A20 : U C3p_endo anti
+A21 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 16
+Number of adjacent stackings = 16
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A1-A21 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A20 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+A3-A19 : G-C Ww/Ww pairing antiparallel cis XIX 
+A4-A18 : A-U Ww/Ww pairing antiparallel cis XX 
+A5-A17 : U-A Ww/Ww pairing antiparallel cis XX 
+A6-A16 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-A15 : C-G Ww/Ww pairing antiparallel cis XIX 
+A9-A14 : C-G Ww/Ww pairing antiparallel cis XIX 
+A10-A14 : A-G O2'/Bs pairing 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : G C3p_endo anti
+A4 : A C3p_endo anti
+A5 : U C3p_endo anti
+A6 : C C3p_endo anti
+A7 : A C3p_exo anti
+A8 : C C3p_endo anti
+A9 : C C3p_endo anti
+A10 : A C3p_endo anti
+A11 : U C3p_exo anti
+A12 : U C3p_exo anti
+A13 : A C2p_endo anti
+A14 : G C3p_endo anti
+A15 : G C3p_endo anti
+A16 : G C3p_endo anti
+A17 : A C3p_endo anti
+A18 : U C3p_endo anti
+A19 : C C3p_endo anti
+A20 : U C3p_endo anti
+A21 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 16
+Number of adjacent stackings = 16
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A1-A21 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A20 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+A3-A19 : G-C Ww/Ww pairing antiparallel cis XIX 
+A4-A18 : A-U Ww/Ww pairing antiparallel cis XX 
+A5-A17 : U-A Ww/Ww pairing antiparallel cis XX 
+A6-A16 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-A15 : C-G Ww/Ww pairing antiparallel cis XIX 
+A9-A14 : C-G Ww/Ww pairing antiparallel cis XIX 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : G C3p_endo anti
+A4 : A C3p_endo anti
+A5 : U C3p_endo anti
+A6 : C C3p_endo anti
+A7 : A C3p_exo anti
+A8 : C C3p_endo anti
+A9 : C C3p_endo anti
+A10 : A C3p_endo anti
+A11 : U C3p_exo anti
+A12 : U C3p_exo anti
+A13 : A C2p_endo anti
+A14 : G C3p_endo anti
+A15 : G C3p_endo anti
+A16 : G C3p_endo anti
+A17 : A C3p_endo anti
+A18 : U C3p_endo anti
+A19 : C C3p_endo anti
+A20 : U C3p_endo anti
+A21 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 16
+Number of adjacent stackings = 16
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A1-A21 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A20 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+A3-A19 : G-C Ww/Ww pairing antiparallel cis XIX 
+A4-A18 : A-U Ww/Ww pairing antiparallel cis XX 
+A5-A17 : U-A Ww/Ww pairing antiparallel cis XX 
+A6-A16 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-A15 : C-G Ww/Ww pairing antiparallel cis XIX 
+A9-A14 : C-G Ww/Ww pairing antiparallel cis XIX 
+A10-A13 : A-A Bs/Ww pairing antiparallel cis one_hbond 
+A10-A14 : A-G O2'/Bs pairing 
diff --git a/MCdata/1d4r_MC b/MCdata/1d4r_MC
new file mode 100644
index 0000000000000000000000000000000000000000..8bc606d8f7d547e3748f6b4a302ffea3cc2e964d
--- /dev/null
+++ b/MCdata/1d4r_MC
@@ -0,0 +1,314 @@
+Residue conformations -------------------------------------------
+A1 : GDP
+A2 : G C3p_endo anti
+A3 : U C3p_endo anti
+A4 : G C3p_endo anti
+A5 : A C3p_endo anti
+A6 : C C3p_endo anti
+A7 : C C3p_endo anti
+A8 : U C2p_exo anti
+A9 : C C3p_endo anti
+A10 : C C3p_endo anti
+A11 : C C3p_endo anti
+A12 : G C2p_exo anti
+A13 : G C3p_endo anti
+A14 : G C3p_endo anti
+A15 : A C3p_endo anti
+A16 : G C3p_endo anti
+A17 : C C3p_endo anti
+A18 : G C3p_endo anti
+A19 : G C3p_endo anti
+A20 : G C3p_endo anti
+A21 : G C2p_exo anti
+A22 : G C3p_endo anti
+A23 : A C1p_endo anti
+A24 : C C3p_endo anti
+A25 : C C3p_endo anti
+A26 : A C3p_endo anti
+A27 : C C3p_endo anti
+A28 : U C3p_endo anti
+A29 : A23
+B1 : GDP
+B2 : G C3p_endo anti
+B3 : U C3p_endo anti
+B4 : G C3p_endo anti
+B5 : A C3p_endo anti
+B6 : C C3p_endo anti
+B7 : C C3p_endo anti
+B8 : U C3p_endo anti
+B9 : C C3p_endo anti
+B10 : C C3p_endo anti
+B11 : C C3p_endo anti
+B12 : G C3p_endo anti
+B13 : G C3p_endo anti
+B14 : G C3p_endo anti
+B15 : A C3p_endo anti
+B16 : G C2p_exo anti
+B17 : C C3p_endo anti
+B18 : G C3p_endo anti
+B19 : G C3p_endo anti
+B20 : G C3p_endo anti
+B21 : G C2p_exo anti
+B22 : G C3p_endo anti
+B23 : A C2p_exo anti
+B24 : C C3p_endo anti
+B25 : C C3p_endo anti
+B26 : A C3p_endo anti
+B27 : C C3p_endo anti
+B28 : U C3p_endo anti
+B29 : A unknown unknown
+C1 : GDP
+C2 : G C3p_endo anti
+C3 : U C3p_endo anti
+C4 : G C3p_endo anti
+C5 : A C3p_endo anti
+C6 : C C3p_endo anti
+C7 : C C3p_endo anti
+C8 : U C3p_endo anti
+C9 : C C3p_endo anti
+C10 : C C3p_endo anti
+C11 : C C3p_endo anti
+C12 : G C3p_endo anti
+C13 : G C3p_endo anti
+C14 : G C3p_endo anti
+C15 : A C3p_endo anti
+C16 : G C3p_endo anti
+C17 : C C3p_endo anti
+C18 : G C3p_endo anti
+C19 : G C3p_endo anti
+C20 : G C3p_endo anti
+C21 : G C2p_exo anti
+C22 : G C3p_endo anti
+C23 : A C1p_endo anti
+C24 : C C3p_endo anti
+C25 : C C3p_endo anti
+C26 : A C3p_endo anti
+C27 : C C3p_endo anti
+C28 : U C3p_endo anti
+C29 : A unknown unknown
+A304 : MG
+A305 : MG
+B302 : MG
+B303 : MG
+C301 : MG
+A101 : HOH
+A109 : HOH
+A110 : HOH
+A111 : HOH
+A112 : HOH
+A115 : HOH
+A116 : HOH
+A121 : HOH
+A123 : HOH
+A126 : HOH
+A127 : HOH
+A128 : HOH
+A129 : HOH
+A131 : HOH
+A132 : HOH
+A133 : HOH
+A134 : HOH
+A136 : HOH
+A139 : HOH
+A141 : HOH
+A145 : HOH
+A147 : HOH
+A150 : HOH
+A158 : HOH
+A161 : HOH
+A165 : HOH
+A170 : HOH
+A173 : HOH
+A175 : HOH
+A176 : HOH
+A181 : HOH
+A182 : HOH
+A184 : HOH
+A185 : HOH
+A186 : HOH
+A189 : HOH
+A193 : HOH
+A195 : HOH
+A196 : HOH
+A200 : HOH
+A201 : HOH
+A203 : HOH
+A205 : HOH
+A315 : HOH
+A316 : HOH
+A317 : HOH
+A318 : HOH
+A319 : HOH
+A320 : HOH
+A321 : HOH
+A322 : HOH
+B103 : HOH
+B104 : HOH
+B106 : HOH
+B108 : HOH
+B113 : HOH
+B117 : HOH
+B118 : HOH
+B125 : HOH
+B130 : HOH
+B140 : HOH
+B142 : HOH
+B144 : HOH
+B146 : HOH
+B148 : HOH
+B149 : HOH
+B151 : HOH
+B153 : HOH
+B157 : HOH
+B163 : HOH
+B166 : HOH
+B167 : HOH
+B169 : HOH
+B172 : HOH
+B174 : HOH
+B179 : HOH
+B180 : HOH
+B191 : HOH
+B192 : HOH
+B197 : HOH
+B199 : HOH
+B204 : HOH
+B310 : HOH
+B311 : HOH
+B312 : HOH
+B313 : HOH
+B314 : HOH
+C102 : HOH
+C105 : HOH
+C107 : HOH
+C114 : HOH
+C119 : HOH
+C120 : HOH
+C122 : HOH
+C124 : HOH
+C135 : HOH
+C137 : HOH
+C138 : HOH
+C143 : HOH
+C152 : HOH
+C154 : HOH
+C155 : HOH
+C156 : HOH
+C159 : HOH
+C160 : HOH
+C162 : HOH
+C164 : HOH
+C168 : HOH
+C171 : HOH
+C177 : HOH
+C178 : HOH
+C183 : HOH
+C187 : HOH
+C188 : HOH
+C190 : HOH
+C194 : HOH
+C198 : HOH
+C202 : HOH
+C306 : HOH
+C307 : HOH
+C308 : HOH
+C309 : HOH
+Adjacent stackings ----------------------------------------------
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+A21-A22 : adjacent_5p upward 
+A22-A23 : adjacent_5p upward 
+A23-A24 : adjacent_5p upward 
+A25-A26 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+A27-A28 : adjacent_5p upward 
+B2-B3 : adjacent_5p upward 
+B3-B4 : adjacent_5p upward 
+B4-B5 : adjacent_5p upward 
+B5-B6 : adjacent_5p upward 
+B7-B8 : adjacent_5p upward 
+B10-B11 : adjacent_5p upward 
+B13-B14 : adjacent_5p upward 
+B14-B15 : adjacent_5p upward 
+B15-B16 : adjacent_5p upward 
+B16-B17 : adjacent_5p upward 
+B18-B19 : adjacent_5p upward 
+B19-B20 : adjacent_5p upward 
+B20-B21 : adjacent_5p upward 
+B21-B22 : adjacent_5p upward 
+B22-B23 : adjacent_5p upward 
+B23-B24 : adjacent_5p upward 
+B25-B26 : adjacent_5p upward 
+B26-B27 : adjacent_5p upward 
+B27-B28 : adjacent_5p upward 
+C3-C4 : adjacent_5p upward 
+C4-C5 : adjacent_5p upward 
+C5-C6 : adjacent_5p upward 
+C6-C7 : adjacent_5p upward 
+C7-C8 : adjacent_5p upward 
+C9-C10 : adjacent_5p upward 
+C11-C12 : adjacent_5p upward 
+C13-C14 : adjacent_5p upward 
+C14-C15 : adjacent_5p upward 
+C15-C16 : adjacent_5p upward 
+C16-C17 : adjacent_5p upward 
+C17-C18 : adjacent_5p upward 
+C18-C19 : adjacent_5p upward 
+C19-C20 : adjacent_5p upward 
+C20-C21 : adjacent_5p upward 
+C21-C22 : adjacent_5p upward 
+C22-C23 : adjacent_5p upward 
+C23-C24 : adjacent_5p upward 
+C24-C25 : adjacent_5p upward 
+C25-C26 : adjacent_5p upward 
+C26-C27 : adjacent_5p upward 
+C27-C28 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-B26 : outward 
+A12-B18 : outward 
+A18-B12 : outward 
+A21-B9 : outward 
+A26-B4 : outward 
+Number of stackings = 68
+Number of adjacent stackings = 63
+Number of non adjacent stackings = 5
+Base-pairs ------------------------------------------------------
+A2-B27 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-B26 : U-A Ww/Ww pairing antiparallel cis XX 
+A4-B25 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-B24 : A-C Wh/Ww pairing antiparallel cis one_hbond 75 
+A6-B23 : C-A Wh/Ww pairing antiparallel cis one_hbond 71 
+A7-B22 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-B21 : U-G Ws/Ww pairing antiparallel cis XXVIII 
+A9-B20 : C-G Ww/Ww pairing antiparallel cis XIX 
+A10-B19 : C-G Ww/Ww pairing antiparallel cis XIX 
+A11-B18 : C-G Ww/Ww pairing antiparallel cis XIX 
+A12-B17 : G-C Ww/Ww pairing antiparallel cis XIX 
+A13-B16 : G-G Bh/Ww pairing antiparallel trans 115 
+A14-B15 : G-A Wh/Wh pairing antiparallel cis one_hbond 
+A16-B13 : G-G Ww/Bh pairing antiparallel trans 115 
+A17-B12 : C-G Ww/Ww pairing antiparallel cis XIX 
+A18-B11 : G-C Ww/Ww pairing antiparallel cis XIX 
+A19-B10 : G-C Ww/Ww pairing antiparallel cis XIX 
+A20-B9 : G-C Ww/Ww pairing antiparallel cis XIX 
+A21-B8 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+A22-B7 : G-C Ww/Ww pairing antiparallel cis XIX 
+A23-B6 : A-C Wh/Ww pairing antiparallel cis one_hbond 75 
+A24-B5 : C-A Ww/Wh pairing antiparallel cis one_hbond 75 
+A25-B4 : C-G Ww/Ww pairing antiparallel cis XIX 
+A26-B3 : A-U Ww/Ww pairing antiparallel cis XX 
+A27-B2 : C-G Ww/Ww pairing antiparallel cis XIX 
diff --git a/MCdata/1d6k_MC b/MCdata/1d6k_MC
new file mode 100644
index 0000000000000000000000000000000000000000..f23854dbf9de9d0c88cde118669f6979ed7cfa15
--- /dev/null
+++ b/MCdata/1d6k_MC
@@ -0,0 +1,3761 @@
+Residue conformations -------------------------------------------
+B267 : G C2p_exo anti
+B268 : G C3p_endo anti
+B269 : A C3p_endo anti
+B270 : C C3p_endo anti
+B271 : C C3p_endo anti
+B272 : G C3p_endo anti
+B273 : A C3p_endo anti
+B274 : U C3p_endo anti
+B275 : G C3p_endo anti
+B276 : G C3p_endo anti
+B277 : U C3p_endo anti
+B278 : A C3p_endo anti
+B279 : G C3p_endo anti
+B280 : U C3p_endo anti
+B281 : G C2p_exo anti
+B282 : U C3p_endo anti
+B283 : C C3p_endo anti
+B284 : U C3p_endo anti
+B285 : U C3p_endo anti
+B291 : C C2p_endo anti
+B292 : G C2p_endo anti
+B293 : G C3p_endo anti
+B294 : A C3p_endo anti
+B295 : U C3p_endo anti
+B296 : G C1p_endo anti
+B297 : C C3p_endo anti
+B298 : G C3p_endo anti
+B299 : A C1p_endo anti
+B300 : G C3p_endo anti
+B301 : A C3p_endo anti
+B302 : G C3p_endo anti
+B303 : U C3p_endo anti
+B304 : A C3p_endo anti
+B305 : G C3p_endo anti
+B306 : G C3p_endo anti
+B307 : U C3p_endo anti
+B308 : C C3p_endo anti
+A1 : MET
+A2 : PHE
+A3 : THR
+A4 : ILE
+A5 : ASN
+A6 : ALA
+A7 : GLU
+A8 : VAL
+A9 : ARG
+A10 : LYS
+A11 : GLU
+A12 : GLN
+A13 : GLY
+A14 : LYS
+A15 : GLY
+A16 : ALA
+A17 : SER
+A18 : ARG
+A19 : ARG
+A20 : LEU
+A21 : ARG
+A22 : ALA
+A23 : ALA
+A24 : ASN
+A25 : LYS
+A26 : PHE
+A27 : PRO
+A28 : ALA
+A29 : ILE
+A30 : ILE
+A31 : TYR
+A32 : GLY
+A33 : GLY
+A34 : LYS
+A35 : GLU
+A36 : ALA
+A37 : PRO
+A38 : LEU
+A39 : ALA
+A40 : ILE
+A41 : GLU
+A42 : LEU
+A43 : ASP
+A44 : HIS
+A45 : ASP
+A46 : LYS
+A47 : VAL
+A48 : MET
+A49 : ASN
+A50 : MET
+A51 : GLN
+A52 : ALA
+A53 : LYS
+A54 : ALA
+A55 : GLU
+A56 : PHE
+A57 : TYR
+A58 : SER
+A59 : GLU
+A60 : VAL
+A61 : LEU
+A62 : THR
+A63 : ILE
+A64 : VAL
+A65 : VAL
+A66 : ASP
+A67 : GLY
+A68 : LYS
+A69 : GLU
+A70 : ILE
+A71 : LYS
+A72 : VAL
+A73 : LYS
+A74 : ALA
+A75 : GLN
+A76 : ASP
+A77 : VAL
+A78 : GLN
+A79 : ARG
+A80 : HIS
+A81 : PRO
+A82 : TYR
+A83 : LYS
+A84 : PRO
+A85 : LYS
+A86 : LEU
+A87 : GLN
+A88 : HIS
+A89 : ILE
+A90 : ASP
+A91 : PHE
+A92 : VAL
+A93 : ARG
+A94 : ALA
+Adjacent stackings ----------------------------------------------
+B268-B269 : adjacent_5p upward 
+B269-B270 : adjacent_5p upward 
+B270-B271 : adjacent_5p upward 
+B271-B272 : adjacent_5p upward 
+B273-B274 : adjacent_5p upward 
+B274-B275 : adjacent_5p upward 
+B275-B276 : adjacent_5p upward 
+B276-B277 : adjacent_5p upward 
+B277-B278 : adjacent_5p upward 
+B278-B279 : adjacent_5p upward 
+B279-B280 : adjacent_5p upward 
+B281-B282 : adjacent_5p upward 
+B282-B283 : adjacent_5p upward 
+B283-B284 : adjacent_5p upward 
+B293-B294 : adjacent_5p upward 
+B294-B295 : adjacent_5p upward 
+B296-B297 : adjacent_5p upward 
+B299-B300 : adjacent_5p upward 
+B300-B301 : adjacent_5p upward 
+B301-B302 : adjacent_5p upward 
+B302-B303 : adjacent_5p upward 
+B303-B304 : adjacent_5p upward 
+B304-B305 : adjacent_5p upward 
+B305-B306 : adjacent_5p upward 
+B306-B307 : adjacent_5p upward 
+B307-B308 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+B273-B304 : outward 
+B278-B299 : outward 
+B281-B296 : outward 
+Number of stackings = 29
+Number of adjacent stackings = 26
+Number of non adjacent stackings = 3
+Base-pairs ------------------------------------------------------
+A17-B298 : SER-G pairing one_hbond 
+A31-B273 : TYR-A pairing one_hbond 
+A31-B274 : TYR-U pairing one_hbond 
+B268-B308 : G-C Ww/Ww pairing antiparallel cis XIX 
+B269-B307 : A-U Ww/Ww pairing antiparallel cis XX 
+B270-B306 : C-G Ww/Ww pairing antiparallel cis XIX 
+B271-B305 : C-G Ww/Ww pairing antiparallel cis XIX 
+B272-B303 : G-U Ww/O2P pairing 
+B272-B304 : G-A Ss/Hh O2'/Bh pairing antiparallel trans XI 
+B273-B303 : A-U Hh/Ws pairing antiparallel trans XXIV 
+B274-B302 : U-G Hw/Ww pairing antiparallel trans one_hbond 91 
+B276-B300 : G-G Ww/Bh pairing antiparallel trans 115 
+B277-B299 : U-A Ws/Hh pairing antiparallel trans XXIV 
+B278-B298 : A-G Hh/Ss Bh/O2' pairing antiparallel trans XI 
+B279-B297 : G-C Ww/Ww pairing antiparallel cis XIX 
+B280-B296 : U-G Ws/Ww pairing antiparallel cis XXVIII 
+B281-B295 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+B282-B294 : U-A Ww/Ww pairing antiparallel cis XX 
+B283-B293 : C-G Ww/Ww pairing antiparallel cis XIX 
+B284-B292 : U-G Ss/Ws O2'/Ww pairing parallel trans one_hbond 
+B285-B291 : U-C O2P/Bh adjacent_5p pairing 
+Residue conformations -------------------------------------------
+B267 : G C2p_endo anti
+B268 : G C2p_exo anti
+B269 : A C3p_endo anti
+B270 : C C3p_endo anti
+B271 : C C3p_endo anti
+B272 : G C3p_endo anti
+B273 : A C2p_exo anti
+B274 : U C4p_exo anti
+B275 : G C3p_endo anti
+B276 : G C3p_endo anti
+B277 : U C3p_endo anti
+B278 : A C3p_endo anti
+B279 : G C3p_endo anti
+B280 : U C3p_endo anti
+B281 : G C3p_endo anti
+B282 : U C3p_endo anti
+B283 : C C3p_endo anti
+B284 : U C2p_exo anti
+B285 : U C2p_endo anti
+B291 : C C2p_endo anti
+B292 : G O4p_endo anti
+B293 : G C3p_endo anti
+B294 : A C3p_endo anti
+B295 : U C3p_endo anti
+B296 : G C2p_exo anti
+B297 : C C3p_endo anti
+B298 : G C3p_endo anti
+B299 : A C1p_endo anti
+B300 : G C3p_endo anti
+B301 : A C3p_endo anti
+B302 : G C3p_endo anti
+B303 : U C3p_endo anti
+B304 : A C3p_endo anti
+B305 : G C3p_endo anti
+B306 : G C3p_endo anti
+B307 : U C3p_endo anti
+B308 : C C3p_endo anti
+A1 : MET
+A2 : PHE
+A3 : THR
+A4 : ILE
+A5 : ASN
+A6 : ALA
+A7 : GLU
+A8 : VAL
+A9 : ARG
+A10 : LYS
+A11 : GLU
+A12 : GLN
+A13 : GLY
+A14 : LYS
+A15 : GLY
+A16 : ALA
+A17 : SER
+A18 : ARG
+A19 : ARG
+A20 : LEU
+A21 : ARG
+A22 : ALA
+A23 : ALA
+A24 : ASN
+A25 : LYS
+A26 : PHE
+A27 : PRO
+A28 : ALA
+A29 : ILE
+A30 : ILE
+A31 : TYR
+A32 : GLY
+A33 : GLY
+A34 : LYS
+A35 : GLU
+A36 : ALA
+A37 : PRO
+A38 : LEU
+A39 : ALA
+A40 : ILE
+A41 : GLU
+A42 : LEU
+A43 : ASP
+A44 : HIS
+A45 : ASP
+A46 : LYS
+A47 : VAL
+A48 : MET
+A49 : ASN
+A50 : MET
+A51 : GLN
+A52 : ALA
+A53 : LYS
+A54 : ALA
+A55 : GLU
+A56 : PHE
+A57 : TYR
+A58 : SER
+A59 : GLU
+A60 : VAL
+A61 : LEU
+A62 : THR
+A63 : ILE
+A64 : VAL
+A65 : VAL
+A66 : ASP
+A67 : GLY
+A68 : LYS
+A69 : GLU
+A70 : ILE
+A71 : LYS
+A72 : VAL
+A73 : LYS
+A74 : ALA
+A75 : GLN
+A76 : ASP
+A77 : VAL
+A78 : GLN
+A79 : ARG
+A80 : HIS
+A81 : PRO
+A82 : TYR
+A83 : LYS
+A84 : PRO
+A85 : LYS
+A86 : LEU
+A87 : GLN
+A88 : HIS
+A89 : ILE
+A90 : ASP
+A91 : PHE
+A92 : VAL
+A93 : ARG
+A94 : ALA
+Adjacent stackings ----------------------------------------------
+B268-B269 : adjacent_5p upward 
+B269-B270 : adjacent_5p upward 
+B270-B271 : adjacent_5p upward 
+B271-B272 : adjacent_5p upward 
+B273-B274 : adjacent_5p upward 
+B274-B275 : adjacent_5p upward 
+B275-B276 : adjacent_5p upward 
+B276-B277 : adjacent_5p upward 
+B277-B278 : adjacent_5p upward 
+B278-B279 : adjacent_5p upward 
+B279-B280 : adjacent_5p upward 
+B281-B282 : adjacent_5p upward 
+B282-B283 : adjacent_5p upward 
+B293-B294 : adjacent_5p upward 
+B294-B295 : adjacent_5p upward 
+B296-B297 : adjacent_5p upward 
+B299-B300 : adjacent_5p upward 
+B300-B301 : adjacent_5p upward 
+B301-B302 : adjacent_5p upward 
+B302-B303 : adjacent_5p upward 
+B303-B304 : adjacent_5p upward 
+B304-B305 : adjacent_5p upward 
+B305-B306 : adjacent_5p upward 
+B306-B307 : adjacent_5p upward 
+B307-B308 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+B273-B304 : outward 
+B278-B299 : outward 
+B281-B296 : outward 
+B291-B293 : upward 
+Number of stackings = 29
+Number of adjacent stackings = 25
+Number of non adjacent stackings = 4
+Base-pairs ------------------------------------------------------
+A14-B279 : LYS-G pairing one_hbond 
+A31-B273 : TYR-A pairing one_hbond 
+A31-B274 : TYR-U pairing one_hbond 
+B268-B308 : G-C Ww/Ww pairing antiparallel cis XIX 
+B269-B307 : A-U Ww/Ww pairing antiparallel cis XX 
+B270-B306 : C-G Ww/Ww pairing antiparallel cis XIX 
+B271-B305 : C-G Ww/Ww pairing antiparallel cis XIX 
+B272-B303 : G-U Ww/O2P pairing 
+B272-B304 : G-A Ss/Hh O2'/Bh pairing antiparallel trans XI 
+B273-B303 : A-U Hh/Ws pairing antiparallel trans XXIV 
+B274-B302 : U-G Hw/Ww pairing antiparallel trans one_hbond 91 
+B276-B300 : G-G Ww/Bh pairing antiparallel trans 115 
+B277-B299 : U-A Ws/Hh pairing antiparallel trans XXIV 
+B278-B298 : A-G Hh/Ss Bh/O2' pairing antiparallel trans XI 
+B279-B297 : G-C Ww/Ww pairing antiparallel cis XIX 
+B280-B296 : U-G Ws/Ww pairing antiparallel cis XXVIII 
+B281-B295 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+B282-B294 : U-A Ww/Ww pairing antiparallel cis XX 
+B283-B293 : C-G Ww/Ww pairing antiparallel cis XIX 
+B284-B291 : U-C O2'/Bh pairing 
+Residue conformations -------------------------------------------
+B267 : G C3p_endo anti
+B268 : G C3p_endo anti
+B269 : A C3p_endo anti
+B270 : C C3p_endo anti
+B271 : C C3p_endo anti
+B272 : G C3p_endo anti
+B273 : A C2p_exo anti
+B274 : U C4p_exo anti
+B275 : G C3p_endo anti
+B276 : G C3p_endo anti
+B277 : U C3p_endo anti
+B278 : A C3p_endo anti
+B279 : G C3p_endo anti
+B280 : U C3p_endo anti
+B281 : G C3p_endo anti
+B282 : U C3p_endo anti
+B283 : C C3p_endo anti
+B284 : U C3p_endo anti
+B285 : U C2p_endo anti
+B291 : C C3p_exo anti
+B292 : G C1p_endo anti
+B293 : G C2p_exo anti
+B294 : A C3p_endo anti
+B295 : U C3p_endo anti
+B296 : G C3p_endo anti
+B297 : C C3p_endo anti
+B298 : G C3p_endo anti
+B299 : A C2p_exo anti
+B300 : G C3p_endo anti
+B301 : A C3p_endo anti
+B302 : G C3p_endo anti
+B303 : U C3p_endo anti
+B304 : A C3p_endo anti
+B305 : G C3p_endo anti
+B306 : G C3p_endo anti
+B307 : U C3p_endo anti
+B308 : C C3p_endo anti
+A1 : MET
+A2 : PHE
+A3 : THR
+A4 : ILE
+A5 : ASN
+A6 : ALA
+A7 : GLU
+A8 : VAL
+A9 : ARG
+A10 : LYS
+A11 : GLU
+A12 : GLN
+A13 : GLY
+A14 : LYS
+A15 : GLY
+A16 : ALA
+A17 : SER
+A18 : ARG
+A19 : ARG
+A20 : LEU
+A21 : ARG
+A22 : ALA
+A23 : ALA
+A24 : ASN
+A25 : LYS
+A26 : PHE
+A27 : PRO
+A28 : ALA
+A29 : ILE
+A30 : ILE
+A31 : TYR
+A32 : GLY
+A33 : GLY
+A34 : LYS
+A35 : GLU
+A36 : ALA
+A37 : PRO
+A38 : LEU
+A39 : ALA
+A40 : ILE
+A41 : GLU
+A42 : LEU
+A43 : ASP
+A44 : HIS
+A45 : ASP
+A46 : LYS
+A47 : VAL
+A48 : MET
+A49 : ASN
+A50 : MET
+A51 : GLN
+A52 : ALA
+A53 : LYS
+A54 : ALA
+A55 : GLU
+A56 : PHE
+A57 : TYR
+A58 : SER
+A59 : GLU
+A60 : VAL
+A61 : LEU
+A62 : THR
+A63 : ILE
+A64 : VAL
+A65 : VAL
+A66 : ASP
+A67 : GLY
+A68 : LYS
+A69 : GLU
+A70 : ILE
+A71 : LYS
+A72 : VAL
+A73 : LYS
+A74 : ALA
+A75 : GLN
+A76 : ASP
+A77 : VAL
+A78 : GLN
+A79 : ARG
+A80 : HIS
+A81 : PRO
+A82 : TYR
+A83 : LYS
+A84 : PRO
+A85 : LYS
+A86 : LEU
+A87 : GLN
+A88 : HIS
+A89 : ILE
+A90 : ASP
+A91 : PHE
+A92 : VAL
+A93 : ARG
+A94 : ALA
+Adjacent stackings ----------------------------------------------
+B268-B269 : adjacent_5p upward 
+B269-B270 : adjacent_5p upward 
+B270-B271 : adjacent_5p upward 
+B271-B272 : adjacent_5p upward 
+B273-B274 : adjacent_5p upward 
+B274-B275 : adjacent_5p upward 
+B275-B276 : adjacent_5p upward 
+B276-B277 : adjacent_5p upward 
+B277-B278 : adjacent_5p upward 
+B278-B279 : adjacent_5p upward 
+B279-B280 : adjacent_5p upward 
+B281-B282 : adjacent_5p upward 
+B282-B283 : adjacent_5p upward 
+B283-B284 : adjacent_5p upward 
+B293-B294 : adjacent_5p upward 
+B294-B295 : adjacent_5p upward 
+B296-B297 : adjacent_5p upward 
+B299-B300 : adjacent_5p upward 
+B300-B301 : adjacent_5p upward 
+B301-B302 : adjacent_5p upward 
+B302-B303 : adjacent_5p upward 
+B303-B304 : adjacent_5p upward 
+B304-B305 : adjacent_5p upward 
+B305-B306 : adjacent_5p upward 
+B306-B307 : adjacent_5p upward 
+B307-B308 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+B273-B304 : outward 
+B278-B299 : outward 
+B281-B296 : outward 
+Number of stackings = 29
+Number of adjacent stackings = 26
+Number of non adjacent stackings = 3
+Base-pairs ------------------------------------------------------
+A14-B279 : LYS-G pairing one_hbond 
+A17-B298 : SER-G pairing one_hbond 
+A31-B273 : TYR-A pairing one_hbond 
+B268-B308 : G-C Ww/Ww pairing antiparallel cis XIX 
+B269-B307 : A-U Ww/Ww pairing antiparallel cis XX 
+B270-B306 : C-G Ww/Ww pairing antiparallel cis XIX 
+B271-B305 : C-G Ww/Ww pairing antiparallel cis XIX 
+B272-B304 : G-A Ss/Hh O2'/Bh pairing antiparallel trans XI 
+B273-B303 : A-U Hh/Ws pairing antiparallel trans XXIV 
+B274-B302 : U-G Hw/Ww pairing antiparallel trans one_hbond 91 
+B276-B300 : G-G Ww/Bh pairing antiparallel trans one_hbond 
+B277-B298 : U-G O2P/Ww pairing 
+B277-B299 : U-A Ws/Hh pairing antiparallel trans XXIV 
+B278-B298 : A-G Hh/Ss Bh/O2' pairing antiparallel trans XI 
+B279-B297 : G-C Ww/Ww pairing antiparallel cis XIX 
+B280-B296 : U-G Ws/Ww pairing antiparallel cis XXVIII 
+B281-B295 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+B282-B294 : U-A Ww/Ww pairing antiparallel cis XX 
+B283-B293 : C-G Ww/Ww pairing antiparallel cis XIX 
+B284-B292 : U-G Ws/Ws pairing parallel trans one_hbond 87 
+B285-B291 : U-C O2P/Bh adjacent_5p pairing 
+B285-B292 : U-G O2'/Hh pairing 
+Residue conformations -------------------------------------------
+B267 : G C3p_exo syn
+B268 : G C3p_endo anti
+B269 : A C3p_endo anti
+B270 : C C3p_endo anti
+B271 : C C3p_endo anti
+B272 : G C3p_endo anti
+B273 : A C3p_endo anti
+B274 : U C4p_exo anti
+B275 : G C3p_endo anti
+B276 : G C3p_endo anti
+B277 : U C3p_endo anti
+B278 : A C3p_endo anti
+B279 : G C3p_endo anti
+B280 : U C3p_endo anti
+B281 : G C3p_endo anti
+B282 : U C3p_endo anti
+B283 : C C3p_endo anti
+B284 : U C3p_endo anti
+B285 : U C2p_endo anti
+B291 : C C2p_endo anti
+B292 : G C3p_exo anti
+B293 : G C3p_endo anti
+B294 : A C3p_endo anti
+B295 : U C3p_endo anti
+B296 : G C2p_exo anti
+B297 : C C3p_endo anti
+B298 : G C3p_endo anti
+B299 : A C2p_exo anti
+B300 : G C3p_endo anti
+B301 : A C3p_endo anti
+B302 : G C3p_endo anti
+B303 : U C3p_endo anti
+B304 : A C3p_endo anti
+B305 : G C3p_endo anti
+B306 : G C3p_endo anti
+B307 : U C3p_endo anti
+B308 : C C3p_endo anti
+A1 : MET
+A2 : PHE
+A3 : THR
+A4 : ILE
+A5 : ASN
+A6 : ALA
+A7 : GLU
+A8 : VAL
+A9 : ARG
+A10 : LYS
+A11 : GLU
+A12 : GLN
+A13 : GLY
+A14 : LYS
+A15 : GLY
+A16 : ALA
+A17 : SER
+A18 : ARG
+A19 : ARG
+A20 : LEU
+A21 : ARG
+A22 : ALA
+A23 : ALA
+A24 : ASN
+A25 : LYS
+A26 : PHE
+A27 : PRO
+A28 : ALA
+A29 : ILE
+A30 : ILE
+A31 : TYR
+A32 : GLY
+A33 : GLY
+A34 : LYS
+A35 : GLU
+A36 : ALA
+A37 : PRO
+A38 : LEU
+A39 : ALA
+A40 : ILE
+A41 : GLU
+A42 : LEU
+A43 : ASP
+A44 : HIS
+A45 : ASP
+A46 : LYS
+A47 : VAL
+A48 : MET
+A49 : ASN
+A50 : MET
+A51 : GLN
+A52 : ALA
+A53 : LYS
+A54 : ALA
+A55 : GLU
+A56 : PHE
+A57 : TYR
+A58 : SER
+A59 : GLU
+A60 : VAL
+A61 : LEU
+A62 : THR
+A63 : ILE
+A64 : VAL
+A65 : VAL
+A66 : ASP
+A67 : GLY
+A68 : LYS
+A69 : GLU
+A70 : ILE
+A71 : LYS
+A72 : VAL
+A73 : LYS
+A74 : ALA
+A75 : GLN
+A76 : ASP
+A77 : VAL
+A78 : GLN
+A79 : ARG
+A80 : HIS
+A81 : PRO
+A82 : TYR
+A83 : LYS
+A84 : PRO
+A85 : LYS
+A86 : LEU
+A87 : GLN
+A88 : HIS
+A89 : ILE
+A90 : ASP
+A91 : PHE
+A92 : VAL
+A93 : ARG
+A94 : ALA
+Adjacent stackings ----------------------------------------------
+B268-B269 : adjacent_5p upward 
+B269-B270 : adjacent_5p upward 
+B270-B271 : adjacent_5p upward 
+B271-B272 : adjacent_5p upward 
+B273-B274 : adjacent_5p upward 
+B274-B275 : adjacent_5p upward 
+B275-B276 : adjacent_5p upward 
+B276-B277 : adjacent_5p upward 
+B277-B278 : adjacent_5p upward 
+B278-B279 : adjacent_5p upward 
+B279-B280 : adjacent_5p upward 
+B281-B282 : adjacent_5p upward 
+B282-B283 : adjacent_5p upward 
+B283-B284 : adjacent_5p upward 
+B293-B294 : adjacent_5p upward 
+B294-B295 : adjacent_5p upward 
+B296-B297 : adjacent_5p upward 
+B299-B300 : adjacent_5p upward 
+B300-B301 : adjacent_5p upward 
+B301-B302 : adjacent_5p upward 
+B302-B303 : adjacent_5p upward 
+B303-B304 : adjacent_5p upward 
+B304-B305 : adjacent_5p upward 
+B305-B306 : adjacent_5p upward 
+B306-B307 : adjacent_5p upward 
+B307-B308 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+B273-B304 : outward 
+B278-B299 : outward 
+B281-B296 : outward 
+Number of stackings = 29
+Number of adjacent stackings = 26
+Number of non adjacent stackings = 3
+Base-pairs ------------------------------------------------------
+A14-B279 : LYS-G pairing one_hbond 
+A17-B298 : SER-G pairing one_hbond 
+A31-B273 : TYR-A pairing one_hbond 
+A31-B274 : TYR-U pairing one_hbond 
+B268-B308 : G-C Ww/Ww pairing antiparallel cis XIX 
+B269-B307 : A-U Ww/Ww pairing antiparallel cis XX 
+B270-B306 : C-G Ww/Ww pairing antiparallel cis XIX 
+B271-B305 : C-G Ww/Ww pairing antiparallel cis XIX 
+B272-B303 : G-U Ww/O2P pairing 
+B272-B304 : G-A Ss/Hh O2'/Bh pairing antiparallel trans XI 
+B273-B303 : A-U Hh/Ws pairing antiparallel trans XXIV 
+B274-B302 : U-G Hw/Ww pairing antiparallel trans one_hbond 91 
+B276-B300 : G-G Ww/Bh pairing antiparallel trans 115 
+B277-B298 : U-G O2P/Ww pairing 
+B277-B299 : U-A Ws/Hh pairing antiparallel trans XXIV 
+B278-B298 : A-G Hh/Ss Bh/O2' pairing antiparallel trans XI 
+B279-B297 : G-C Ww/Ww pairing antiparallel cis XIX 
+B280-B296 : U-G Ws/Ww pairing antiparallel cis XXVIII 
+B281-B295 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+B282-B294 : U-A Ww/Ww pairing antiparallel cis XX 
+B283-B293 : C-G Ww/Ww pairing antiparallel cis XIX 
+B284-B292 : U-G Ws/Ww pairing parallel trans one_hbond 87 
+B285-B291 : U-C O2P/Bh adjacent_5p pairing 
+Residue conformations -------------------------------------------
+B267 : G C3p_endo anti
+B268 : G C2p_exo anti
+B269 : A C3p_endo anti
+B270 : C C3p_endo anti
+B271 : C C3p_endo anti
+B272 : G C3p_endo anti
+B273 : A C2p_exo anti
+B274 : U C4p_exo anti
+B275 : G C3p_endo anti
+B276 : G C3p_endo anti
+B277 : U C3p_endo anti
+B278 : A C3p_endo anti
+B279 : G C3p_endo anti
+B280 : U C3p_endo anti
+B281 : G C1p_endo anti
+B282 : U C3p_endo anti
+B283 : C C3p_endo anti
+B284 : U C3p_endo anti
+B285 : U C3p_exo anti
+B291 : C C2p_endo anti
+B292 : G O4p_endo anti
+B293 : G C3p_endo anti
+B294 : A C3p_endo anti
+B295 : U C3p_endo anti
+B296 : G C3p_endo anti
+B297 : C C3p_endo anti
+B298 : G C3p_endo anti
+B299 : A C2p_exo anti
+B300 : G C3p_endo anti
+B301 : A C3p_endo anti
+B302 : G C3p_endo anti
+B303 : U C3p_endo anti
+B304 : A C3p_endo anti
+B305 : G C3p_endo anti
+B306 : G C3p_endo anti
+B307 : U C3p_endo anti
+B308 : C C3p_endo anti
+A1 : MET
+A2 : PHE
+A3 : THR
+A4 : ILE
+A5 : ASN
+A6 : ALA
+A7 : GLU
+A8 : VAL
+A9 : ARG
+A10 : LYS
+A11 : GLU
+A12 : GLN
+A13 : GLY
+A14 : LYS
+A15 : GLY
+A16 : ALA
+A17 : SER
+A18 : ARG
+A19 : ARG
+A20 : LEU
+A21 : ARG
+A22 : ALA
+A23 : ALA
+A24 : ASN
+A25 : LYS
+A26 : PHE
+A27 : PRO
+A28 : ALA
+A29 : ILE
+A30 : ILE
+A31 : TYR
+A32 : GLY
+A33 : GLY
+A34 : LYS
+A35 : GLU
+A36 : ALA
+A37 : PRO
+A38 : LEU
+A39 : ALA
+A40 : ILE
+A41 : GLU
+A42 : LEU
+A43 : ASP
+A44 : HIS
+A45 : ASP
+A46 : LYS
+A47 : VAL
+A48 : MET
+A49 : ASN
+A50 : MET
+A51 : GLN
+A52 : ALA
+A53 : LYS
+A54 : ALA
+A55 : GLU
+A56 : PHE
+A57 : TYR
+A58 : SER
+A59 : GLU
+A60 : VAL
+A61 : LEU
+A62 : THR
+A63 : ILE
+A64 : VAL
+A65 : VAL
+A66 : ASP
+A67 : GLY
+A68 : LYS
+A69 : GLU
+A70 : ILE
+A71 : LYS
+A72 : VAL
+A73 : LYS
+A74 : ALA
+A75 : GLN
+A76 : ASP
+A77 : VAL
+A78 : GLN
+A79 : ARG
+A80 : HIS
+A81 : PRO
+A82 : TYR
+A83 : LYS
+A84 : PRO
+A85 : LYS
+A86 : LEU
+A87 : GLN
+A88 : HIS
+A89 : ILE
+A90 : ASP
+A91 : PHE
+A92 : VAL
+A93 : ARG
+A94 : ALA
+Adjacent stackings ----------------------------------------------
+B268-B269 : adjacent_5p upward 
+B269-B270 : adjacent_5p upward 
+B270-B271 : adjacent_5p upward 
+B271-B272 : adjacent_5p upward 
+B273-B274 : adjacent_5p upward 
+B274-B275 : adjacent_5p upward 
+B275-B276 : adjacent_5p upward 
+B276-B277 : adjacent_5p upward 
+B277-B278 : adjacent_5p upward 
+B278-B279 : adjacent_5p upward 
+B279-B280 : adjacent_5p upward 
+B281-B282 : adjacent_5p upward 
+B282-B283 : adjacent_5p upward 
+B291-B292 : adjacent_5p downward 
+B293-B294 : adjacent_5p upward 
+B294-B295 : adjacent_5p upward 
+B296-B297 : adjacent_5p upward 
+B299-B300 : adjacent_5p upward 
+B300-B301 : adjacent_5p upward 
+B301-B302 : adjacent_5p upward 
+B302-B303 : adjacent_5p upward 
+B303-B304 : adjacent_5p upward 
+B304-B305 : adjacent_5p upward 
+B305-B306 : adjacent_5p upward 
+B306-B307 : adjacent_5p upward 
+B307-B308 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+B273-B304 : outward 
+B278-B299 : outward 
+B281-B296 : outward 
+B291-B293 : upward 
+Number of stackings = 30
+Number of adjacent stackings = 26
+Number of non adjacent stackings = 4
+Base-pairs ------------------------------------------------------
+A14-B279 : LYS-G pairing one_hbond 
+A17-B298 : SER-G pairing one_hbond 
+A31-B273 : TYR-A pairing one_hbond 
+B268-B308 : G-C Ww/Ww pairing antiparallel cis XIX 
+B269-B307 : A-U Ww/Ww pairing antiparallel cis XX 
+B270-B306 : C-G Ww/Ww pairing antiparallel cis XIX 
+B271-B305 : C-G Ww/Ww pairing antiparallel cis XIX 
+B272-B303 : G-U Ww/O2P pairing 
+B272-B304 : G-A Ss/Hh O2'/Bh pairing antiparallel trans XI 
+B273-B303 : A-U Hh/Ws pairing antiparallel trans XXIV 
+B274-B302 : U-G Hw/Ww pairing antiparallel trans one_hbond 91 
+B276-B300 : G-G Ww/Hw pairing antiparallel trans one_hbond 
+B277-B298 : U-G O2P/Ww pairing 
+B277-B299 : U-A Ww/Hh pairing antiparallel trans XXIV 
+B278-B298 : A-G Hh/Ss Bh/O2' pairing antiparallel trans XI 
+B279-B297 : G-C Ww/Ww pairing antiparallel cis XIX 
+B280-B296 : U-G Ws/Ww pairing antiparallel cis XXVIII 
+B281-B295 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+B282-B294 : U-A Ww/Ww pairing antiparallel cis XX 
+B283-B293 : C-G Ww/Ww pairing antiparallel cis XIX 
+B284-B291 : U-C O2'/Bh pairing 
+Residue conformations -------------------------------------------
+B267 : G C1p_exo syn
+B268 : G C3p_endo anti
+B269 : A C3p_endo anti
+B270 : C C3p_endo anti
+B271 : C C3p_endo anti
+B272 : G C3p_endo anti
+B273 : A C2p_exo anti
+B274 : U C4p_exo anti
+B275 : G C3p_endo anti
+B276 : G C3p_endo anti
+B277 : U C3p_endo anti
+B278 : A C3p_endo anti
+B279 : G C3p_endo anti
+B280 : U C3p_endo anti
+B281 : G C2p_exo anti
+B282 : U C3p_endo anti
+B283 : C C3p_endo anti
+B284 : U C3p_endo anti
+B285 : U C2p_endo anti
+B291 : C C2p_endo anti
+B292 : G C3p_exo anti
+B293 : G C3p_endo anti
+B294 : A C3p_endo anti
+B295 : U C3p_endo anti
+B296 : G C2p_exo anti
+B297 : C C3p_endo anti
+B298 : G C3p_endo anti
+B299 : A C2p_exo anti
+B300 : G C3p_endo anti
+B301 : A C3p_endo anti
+B302 : G C3p_endo anti
+B303 : U C3p_endo anti
+B304 : A C3p_endo anti
+B305 : G C3p_endo anti
+B306 : G C3p_endo anti
+B307 : U C3p_endo anti
+B308 : C C3p_endo anti
+A1 : MET
+A2 : PHE
+A3 : THR
+A4 : ILE
+A5 : ASN
+A6 : ALA
+A7 : GLU
+A8 : VAL
+A9 : ARG
+A10 : LYS
+A11 : GLU
+A12 : GLN
+A13 : GLY
+A14 : LYS
+A15 : GLY
+A16 : ALA
+A17 : SER
+A18 : ARG
+A19 : ARG
+A20 : LEU
+A21 : ARG
+A22 : ALA
+A23 : ALA
+A24 : ASN
+A25 : LYS
+A26 : PHE
+A27 : PRO
+A28 : ALA
+A29 : ILE
+A30 : ILE
+A31 : TYR
+A32 : GLY
+A33 : GLY
+A34 : LYS
+A35 : GLU
+A36 : ALA
+A37 : PRO
+A38 : LEU
+A39 : ALA
+A40 : ILE
+A41 : GLU
+A42 : LEU
+A43 : ASP
+A44 : HIS
+A45 : ASP
+A46 : LYS
+A47 : VAL
+A48 : MET
+A49 : ASN
+A50 : MET
+A51 : GLN
+A52 : ALA
+A53 : LYS
+A54 : ALA
+A55 : GLU
+A56 : PHE
+A57 : TYR
+A58 : SER
+A59 : GLU
+A60 : VAL
+A61 : LEU
+A62 : THR
+A63 : ILE
+A64 : VAL
+A65 : VAL
+A66 : ASP
+A67 : GLY
+A68 : LYS
+A69 : GLU
+A70 : ILE
+A71 : LYS
+A72 : VAL
+A73 : LYS
+A74 : ALA
+A75 : GLN
+A76 : ASP
+A77 : VAL
+A78 : GLN
+A79 : ARG
+A80 : HIS
+A81 : PRO
+A82 : TYR
+A83 : LYS
+A84 : PRO
+A85 : LYS
+A86 : LEU
+A87 : GLN
+A88 : HIS
+A89 : ILE
+A90 : ASP
+A91 : PHE
+A92 : VAL
+A93 : ARG
+A94 : ALA
+Adjacent stackings ----------------------------------------------
+B268-B269 : adjacent_5p upward 
+B269-B270 : adjacent_5p upward 
+B270-B271 : adjacent_5p upward 
+B271-B272 : adjacent_5p upward 
+B273-B274 : adjacent_5p upward 
+B274-B275 : adjacent_5p upward 
+B275-B276 : adjacent_5p upward 
+B276-B277 : adjacent_5p upward 
+B278-B279 : adjacent_5p upward 
+B279-B280 : adjacent_5p upward 
+B281-B282 : adjacent_5p upward 
+B283-B284 : adjacent_5p upward 
+B293-B294 : adjacent_5p upward 
+B294-B295 : adjacent_5p upward 
+B296-B297 : adjacent_5p upward 
+B299-B300 : adjacent_5p upward 
+B300-B301 : adjacent_5p upward 
+B301-B302 : adjacent_5p upward 
+B302-B303 : adjacent_5p upward 
+B303-B304 : adjacent_5p upward 
+B304-B305 : adjacent_5p upward 
+B305-B306 : adjacent_5p upward 
+B306-B307 : adjacent_5p upward 
+B307-B308 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+B273-B304 : outward 
+B278-B299 : outward 
+B281-B296 : outward 
+Number of stackings = 27
+Number of adjacent stackings = 24
+Number of non adjacent stackings = 3
+Base-pairs ------------------------------------------------------
+A14-B279 : LYS-G pairing 
+A31-B274 : TYR-U pairing one_hbond 
+B268-B308 : G-C Ww/Ww pairing antiparallel cis XIX 
+B269-B307 : A-U Ww/Ww pairing antiparallel cis XX 
+B270-B306 : C-G Ww/Ww pairing antiparallel cis XIX 
+B271-B305 : C-G Ww/Ww pairing antiparallel cis XIX 
+B272-B303 : G-U Ww/O2P pairing 
+B272-B304 : G-A Ss/Hh O2'/Bh pairing antiparallel trans XI 
+B273-B303 : A-U Hh/Ws pairing antiparallel trans XXIV 
+B274-B302 : U-G Hw/Ww pairing antiparallel trans one_hbond 91 
+B276-B300 : G-G Ww/Hw pairing antiparallel trans one_hbond 
+B277-B299 : U-A Ws/Hh pairing antiparallel trans XXIV 
+B278-B298 : A-G Hh/Ss O2P/Bs Bh/O2' pairing antiparallel trans one_hbond 
+B279-B297 : G-C Ww/Ww pairing antiparallel cis XIX 
+B280-B296 : U-G Ws/Ww pairing antiparallel cis XXVIII 
+B281-B295 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+B282-B294 : U-A Ww/Ww pairing antiparallel cis XX 
+B283-B293 : C-G Ww/Ww pairing antiparallel cis XIX 
+B284-B292 : U-G Ws/Ws pairing parallel trans one_hbond 87 
+B285-B291 : U-C O2P/Bh adjacent_5p pairing 
+Residue conformations -------------------------------------------
+B267 : G C2p_endo anti
+B268 : G C3p_endo anti
+B269 : A C3p_endo anti
+B270 : C C3p_endo anti
+B271 : C C3p_endo anti
+B272 : G C3p_endo anti
+B273 : A C2p_exo anti
+B274 : U C4p_exo anti
+B275 : G C3p_endo anti
+B276 : G C3p_endo anti
+B277 : U C3p_endo anti
+B278 : A C3p_endo anti
+B279 : G C3p_endo anti
+B280 : U C3p_endo anti
+B281 : G C2p_exo anti
+B282 : U C3p_endo anti
+B283 : C C3p_endo anti
+B284 : U C3p_endo anti
+B285 : U C2p_endo anti
+B291 : C C3p_exo anti
+B292 : G C1p_endo anti
+B293 : G C2p_exo anti
+B294 : A C3p_endo anti
+B295 : U C3p_endo anti
+B296 : G C1p_endo anti
+B297 : C C3p_endo anti
+B298 : G C3p_endo anti
+B299 : A C2p_exo anti
+B300 : G C3p_endo anti
+B301 : A C3p_endo anti
+B302 : G C3p_endo anti
+B303 : U C3p_endo anti
+B304 : A C3p_endo anti
+B305 : G C3p_endo anti
+B306 : G C3p_endo anti
+B307 : U C3p_endo anti
+B308 : C C3p_endo anti
+A1 : MET
+A2 : PHE
+A3 : THR
+A4 : ILE
+A5 : ASN
+A6 : ALA
+A7 : GLU
+A8 : VAL
+A9 : ARG
+A10 : LYS
+A11 : GLU
+A12 : GLN
+A13 : GLY
+A14 : LYS
+A15 : GLY
+A16 : ALA
+A17 : SER
+A18 : ARG
+A19 : ARG
+A20 : LEU
+A21 : ARG
+A22 : ALA
+A23 : ALA
+A24 : ASN
+A25 : LYS
+A26 : PHE
+A27 : PRO
+A28 : ALA
+A29 : ILE
+A30 : ILE
+A31 : TYR
+A32 : GLY
+A33 : GLY
+A34 : LYS
+A35 : GLU
+A36 : ALA
+A37 : PRO
+A38 : LEU
+A39 : ALA
+A40 : ILE
+A41 : GLU
+A42 : LEU
+A43 : ASP
+A44 : HIS
+A45 : ASP
+A46 : LYS
+A47 : VAL
+A48 : MET
+A49 : ASN
+A50 : MET
+A51 : GLN
+A52 : ALA
+A53 : LYS
+A54 : ALA
+A55 : GLU
+A56 : PHE
+A57 : TYR
+A58 : SER
+A59 : GLU
+A60 : VAL
+A61 : LEU
+A62 : THR
+A63 : ILE
+A64 : VAL
+A65 : VAL
+A66 : ASP
+A67 : GLY
+A68 : LYS
+A69 : GLU
+A70 : ILE
+A71 : LYS
+A72 : VAL
+A73 : LYS
+A74 : ALA
+A75 : GLN
+A76 : ASP
+A77 : VAL
+A78 : GLN
+A79 : ARG
+A80 : HIS
+A81 : PRO
+A82 : TYR
+A83 : LYS
+A84 : PRO
+A85 : LYS
+A86 : LEU
+A87 : GLN
+A88 : HIS
+A89 : ILE
+A90 : ASP
+A91 : PHE
+A92 : VAL
+A93 : ARG
+A94 : ALA
+Adjacent stackings ----------------------------------------------
+B268-B269 : adjacent_5p upward 
+B269-B270 : adjacent_5p upward 
+B270-B271 : adjacent_5p upward 
+B271-B272 : adjacent_5p upward 
+B273-B274 : adjacent_5p upward 
+B274-B275 : adjacent_5p upward 
+B275-B276 : adjacent_5p upward 
+B276-B277 : adjacent_5p upward 
+B277-B278 : adjacent_5p upward 
+B278-B279 : adjacent_5p upward 
+B279-B280 : adjacent_5p upward 
+B281-B282 : adjacent_5p upward 
+B282-B283 : adjacent_5p upward 
+B283-B284 : adjacent_5p upward 
+B293-B294 : adjacent_5p upward 
+B294-B295 : adjacent_5p upward 
+B296-B297 : adjacent_5p upward 
+B299-B300 : adjacent_5p upward 
+B300-B301 : adjacent_5p upward 
+B301-B302 : adjacent_5p upward 
+B302-B303 : adjacent_5p upward 
+B303-B304 : adjacent_5p upward 
+B304-B305 : adjacent_5p upward 
+B305-B306 : adjacent_5p upward 
+B306-B307 : adjacent_5p upward 
+B307-B308 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+B273-B304 : outward 
+B278-B299 : outward 
+B281-B296 : outward 
+Number of stackings = 29
+Number of adjacent stackings = 26
+Number of non adjacent stackings = 3
+Base-pairs ------------------------------------------------------
+A14-B279 : LYS-G pairing one_hbond 
+A17-B298 : SER-G pairing one_hbond 
+A31-B273 : TYR-A pairing one_hbond 
+A31-B274 : TYR-U pairing one_hbond 
+B268-B308 : G-C Ww/Ww pairing antiparallel cis XIX 
+B269-B307 : A-U Ww/Ww pairing antiparallel cis XX 
+B270-B306 : C-G Ww/Ww pairing antiparallel cis XIX 
+B271-B305 : C-G Ww/Ww pairing antiparallel cis XIX 
+B272-B303 : G-U Ww/O2P pairing 
+B272-B304 : G-A Ss/Hh O2'/Bh pairing antiparallel trans XI 
+B273-B303 : A-U Hh/Ws pairing antiparallel trans XXIV 
+B274-B302 : U-G Hw/Ww pairing antiparallel trans one_hbond 91 
+B276-B300 : G-G Ww/Bh pairing antiparallel trans 115 
+B277-B299 : U-A Ws/Hh pairing antiparallel trans XXIV 
+B278-B298 : A-G Hh/Ss Bh/O2' pairing antiparallel trans XI 
+B279-B297 : G-C Ww/Ww pairing antiparallel cis XIX 
+B280-B296 : U-G Ws/Ww pairing antiparallel cis XXVIII 
+B281-B295 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+B282-B294 : U-A Ww/Ww pairing antiparallel cis XX 
+B283-B293 : C-G Ww/Ww pairing antiparallel cis XIX 
+B284-B292 : U-G Ws/Ws pairing parallel trans one_hbond 87 
+B285-B291 : U-C O2P/Bh adjacent_5p pairing 
+B285-B292 : U-G O2'/Hh pairing 
+Residue conformations -------------------------------------------
+B267 : G C3p_exo anti
+B268 : G C2p_exo anti
+B269 : A C3p_endo anti
+B270 : C C3p_endo anti
+B271 : C C3p_endo anti
+B272 : G C3p_endo anti
+B273 : A C2p_exo anti
+B274 : U C3p_endo anti
+B275 : G C3p_endo anti
+B276 : G C3p_endo anti
+B277 : U C3p_endo anti
+B278 : A C3p_endo anti
+B279 : G C3p_endo anti
+B280 : U C3p_endo anti
+B281 : G C1p_endo anti
+B282 : U C3p_endo anti
+B283 : C C3p_endo anti
+B284 : U C3p_endo anti
+B285 : U C3p_endo anti
+B291 : C C2p_endo anti
+B292 : G C3p_endo anti
+B293 : G C2p_exo anti
+B294 : A C3p_endo anti
+B295 : U C3p_endo anti
+B296 : G C2p_exo anti
+B297 : C C3p_endo anti
+B298 : G C3p_endo anti
+B299 : A C2p_exo anti
+B300 : G C3p_endo anti
+B301 : A C3p_endo anti
+B302 : G C3p_endo anti
+B303 : U C3p_endo anti
+B304 : A C3p_endo anti
+B305 : G C3p_endo anti
+B306 : G C3p_endo anti
+B307 : U C3p_endo anti
+B308 : C C3p_endo anti
+A1 : MET
+A2 : PHE
+A3 : THR
+A4 : ILE
+A5 : ASN
+A6 : ALA
+A7 : GLU
+A8 : VAL
+A9 : ARG
+A10 : LYS
+A11 : GLU
+A12 : GLN
+A13 : GLY
+A14 : LYS
+A15 : GLY
+A16 : ALA
+A17 : SER
+A18 : ARG
+A19 : ARG
+A20 : LEU
+A21 : ARG
+A22 : ALA
+A23 : ALA
+A24 : ASN
+A25 : LYS
+A26 : PHE
+A27 : PRO
+A28 : ALA
+A29 : ILE
+A30 : ILE
+A31 : TYR
+A32 : GLY
+A33 : GLY
+A34 : LYS
+A35 : GLU
+A36 : ALA
+A37 : PRO
+A38 : LEU
+A39 : ALA
+A40 : ILE
+A41 : GLU
+A42 : LEU
+A43 : ASP
+A44 : HIS
+A45 : ASP
+A46 : LYS
+A47 : VAL
+A48 : MET
+A49 : ASN
+A50 : MET
+A51 : GLN
+A52 : ALA
+A53 : LYS
+A54 : ALA
+A55 : GLU
+A56 : PHE
+A57 : TYR
+A58 : SER
+A59 : GLU
+A60 : VAL
+A61 : LEU
+A62 : THR
+A63 : ILE
+A64 : VAL
+A65 : VAL
+A66 : ASP
+A67 : GLY
+A68 : LYS
+A69 : GLU
+A70 : ILE
+A71 : LYS
+A72 : VAL
+A73 : LYS
+A74 : ALA
+A75 : GLN
+A76 : ASP
+A77 : VAL
+A78 : GLN
+A79 : ARG
+A80 : HIS
+A81 : PRO
+A82 : TYR
+A83 : LYS
+A84 : PRO
+A85 : LYS
+A86 : LEU
+A87 : GLN
+A88 : HIS
+A89 : ILE
+A90 : ASP
+A91 : PHE
+A92 : VAL
+A93 : ARG
+A94 : ALA
+Adjacent stackings ----------------------------------------------
+B268-B269 : adjacent_5p upward 
+B269-B270 : adjacent_5p upward 
+B270-B271 : adjacent_5p upward 
+B271-B272 : adjacent_5p upward 
+B273-B274 : adjacent_5p upward 
+B274-B275 : adjacent_5p upward 
+B275-B276 : adjacent_5p upward 
+B276-B277 : adjacent_5p upward 
+B277-B278 : adjacent_5p upward 
+B278-B279 : adjacent_5p upward 
+B279-B280 : adjacent_5p upward 
+B281-B282 : adjacent_5p upward 
+B282-B283 : adjacent_5p upward 
+B283-B284 : adjacent_5p upward 
+B293-B294 : adjacent_5p upward 
+B294-B295 : adjacent_5p upward 
+B296-B297 : adjacent_5p upward 
+B297-B298 : adjacent_5p upward 
+B299-B300 : adjacent_5p upward 
+B300-B301 : adjacent_5p upward 
+B301-B302 : adjacent_5p upward 
+B302-B303 : adjacent_5p upward 
+B303-B304 : adjacent_5p upward 
+B304-B305 : adjacent_5p upward 
+B305-B306 : adjacent_5p upward 
+B306-B307 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+B273-B304 : outward 
+B278-B299 : outward 
+B281-B296 : outward 
+Number of stackings = 29
+Number of adjacent stackings = 26
+Number of non adjacent stackings = 3
+Base-pairs ------------------------------------------------------
+A17-B298 : SER-G pairing one_hbond 
+A31-B273 : TYR-A pairing one_hbond 
+A31-B274 : TYR-U pairing one_hbond 
+B268-B308 : G-C Ww/Ww pairing antiparallel cis XIX 
+B269-B307 : A-U Ww/Ww pairing antiparallel cis XX 
+B270-B306 : C-G Ww/Ww pairing antiparallel cis XIX 
+B271-B305 : C-G Ww/Ww pairing antiparallel cis XIX 
+B272-B303 : G-U Ww/O2P pairing 
+B272-B304 : G-A Ss/Hh O2'/Bh pairing antiparallel trans XI 
+B273-B303 : A-U Hh/Ws pairing antiparallel trans XXIV 
+B274-B302 : U-G Hw/Ww pairing antiparallel trans one_hbond 91 
+B276-B300 : G-G Ww/Bh pairing antiparallel trans 115 
+B277-B299 : U-A Ws/Hh pairing antiparallel trans XXIV 
+B278-B298 : A-G Hh/Ss O2P/Bs Bh/O2' pairing antiparallel trans XI 
+B279-B297 : G-C Ww/Ww pairing antiparallel cis XIX 
+B280-B296 : U-G Ws/Ww pairing antiparallel cis XXVIII 
+B281-B295 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+B282-B294 : U-A Ww/Ww pairing antiparallel cis XX 
+B283-B293 : C-G Ww/Ww pairing antiparallel cis XIX 
+B285-B291 : U-C O2P/Bh adjacent_5p pairing 
+Residue conformations -------------------------------------------
+B267 : G C2p_endo syn
+B268 : G C3p_endo anti
+B269 : A C3p_endo anti
+B270 : C C3p_endo anti
+B271 : C C3p_endo anti
+B272 : G C3p_endo anti
+B273 : A C3p_endo anti
+B274 : U C4p_exo anti
+B275 : G C3p_endo anti
+B276 : G C3p_endo anti
+B277 : U C3p_endo anti
+B278 : A C3p_endo anti
+B279 : G C3p_endo anti
+B280 : U C3p_endo anti
+B281 : G C3p_endo anti
+B282 : U C3p_endo anti
+B283 : C C3p_endo anti
+B284 : U C3p_endo anti
+B285 : U C2p_endo anti
+B291 : C C1p_exo anti
+B292 : G C2p_endo anti
+B293 : G C2p_exo anti
+B294 : A C3p_endo anti
+B295 : U C3p_endo anti
+B296 : G C3p_endo anti
+B297 : C C3p_endo anti
+B298 : G C3p_endo anti
+B299 : A C1p_endo anti
+B300 : G C3p_endo anti
+B301 : A C3p_endo anti
+B302 : G C3p_endo anti
+B303 : U C3p_endo anti
+B304 : A C3p_endo anti
+B305 : G C3p_endo anti
+B306 : G C3p_endo anti
+B307 : U C3p_endo anti
+B308 : C C4p_exo anti
+A1 : MET
+A2 : PHE
+A3 : THR
+A4 : ILE
+A5 : ASN
+A6 : ALA
+A7 : GLU
+A8 : VAL
+A9 : ARG
+A10 : LYS
+A11 : GLU
+A12 : GLN
+A13 : GLY
+A14 : LYS
+A15 : GLY
+A16 : ALA
+A17 : SER
+A18 : ARG
+A19 : ARG
+A20 : LEU
+A21 : ARG
+A22 : ALA
+A23 : ALA
+A24 : ASN
+A25 : LYS
+A26 : PHE
+A27 : PRO
+A28 : ALA
+A29 : ILE
+A30 : ILE
+A31 : TYR
+A32 : GLY
+A33 : GLY
+A34 : LYS
+A35 : GLU
+A36 : ALA
+A37 : PRO
+A38 : LEU
+A39 : ALA
+A40 : ILE
+A41 : GLU
+A42 : LEU
+A43 : ASP
+A44 : HIS
+A45 : ASP
+A46 : LYS
+A47 : VAL
+A48 : MET
+A49 : ASN
+A50 : MET
+A51 : GLN
+A52 : ALA
+A53 : LYS
+A54 : ALA
+A55 : GLU
+A56 : PHE
+A57 : TYR
+A58 : SER
+A59 : GLU
+A60 : VAL
+A61 : LEU
+A62 : THR
+A63 : ILE
+A64 : VAL
+A65 : VAL
+A66 : ASP
+A67 : GLY
+A68 : LYS
+A69 : GLU
+A70 : ILE
+A71 : LYS
+A72 : VAL
+A73 : LYS
+A74 : ALA
+A75 : GLN
+A76 : ASP
+A77 : VAL
+A78 : GLN
+A79 : ARG
+A80 : HIS
+A81 : PRO
+A82 : TYR
+A83 : LYS
+A84 : PRO
+A85 : LYS
+A86 : LEU
+A87 : GLN
+A88 : HIS
+A89 : ILE
+A90 : ASP
+A91 : PHE
+A92 : VAL
+A93 : ARG
+A94 : ALA
+Adjacent stackings ----------------------------------------------
+B268-B269 : adjacent_5p upward 
+B269-B270 : adjacent_5p upward 
+B270-B271 : adjacent_5p upward 
+B271-B272 : adjacent_5p upward 
+B273-B274 : adjacent_5p upward 
+B274-B275 : adjacent_5p upward 
+B275-B276 : adjacent_5p upward 
+B276-B277 : adjacent_5p upward 
+B277-B278 : adjacent_5p upward 
+B278-B279 : adjacent_5p upward 
+B279-B280 : adjacent_5p upward 
+B281-B282 : adjacent_5p upward 
+B282-B283 : adjacent_5p upward 
+B283-B284 : adjacent_5p upward 
+B293-B294 : adjacent_5p upward 
+B294-B295 : adjacent_5p upward 
+B296-B297 : adjacent_5p upward 
+B299-B300 : adjacent_5p upward 
+B300-B301 : adjacent_5p upward 
+B301-B302 : adjacent_5p upward 
+B302-B303 : adjacent_5p upward 
+B303-B304 : adjacent_5p upward 
+B304-B305 : adjacent_5p upward 
+B305-B306 : adjacent_5p upward 
+B306-B307 : adjacent_5p upward 
+B307-B308 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+B273-B304 : outward 
+B278-B299 : outward 
+B281-B296 : outward 
+Number of stackings = 29
+Number of adjacent stackings = 26
+Number of non adjacent stackings = 3
+Base-pairs ------------------------------------------------------
+A14-B279 : LYS-G pairing one_hbond 
+A31-B273 : TYR-A pairing one_hbond 
+B268-B308 : G-C Ww/Ww pairing antiparallel cis XIX 
+B269-B307 : A-U Ww/Ww pairing antiparallel cis XX 
+B270-B306 : C-G Ww/Ww pairing antiparallel cis XIX 
+B271-B305 : C-G Ww/Ww pairing antiparallel cis XIX 
+B272-B303 : G-U Ww/O2P pairing 
+B272-B304 : G-A Ss/Hh O2'/Bh pairing antiparallel trans XI 
+B273-B303 : A-U Hh/Ws pairing antiparallel trans XXIV 
+B274-B302 : U-G Hw/Ww pairing antiparallel trans one_hbond 91 
+B276-B300 : G-G Ww/Bh pairing antiparallel trans one_hbond 
+B277-B299 : U-A Ws/Hh pairing antiparallel trans XXIV 
+B278-B298 : A-G Hh/Ss Bh/O2' pairing antiparallel trans XI 
+B279-B297 : G-C Ww/Ww pairing antiparallel cis XIX 
+B280-B296 : U-G Ws/Ww pairing antiparallel cis XXVIII 
+B281-B295 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+B282-B294 : U-A Ww/Ww pairing antiparallel cis XX 
+B283-B293 : C-G Ww/Ww pairing antiparallel cis XIX 
+B284-B292 : U-G O2'/Ww pairing 
+B285-B291 : U-C O2P/Bh adjacent_5p pairing 
+B292-B293 : G-G O2'/C8 adjacent_5p pairing 
+Residue conformations -------------------------------------------
+B267 : G C3p_exo anti
+B268 : G C2p_exo anti
+B269 : A C3p_endo anti
+B270 : C C3p_endo anti
+B271 : C C3p_endo anti
+B272 : G C3p_endo anti
+B273 : A C2p_exo anti
+B274 : U C4p_exo anti
+B275 : G C3p_endo anti
+B276 : G C3p_endo anti
+B277 : U C3p_endo anti
+B278 : A C3p_endo anti
+B279 : G C3p_endo anti
+B280 : U C3p_endo anti
+B281 : G C3p_endo anti
+B282 : U C3p_endo anti
+B283 : C C3p_endo anti
+B284 : U C3p_endo anti
+B285 : U C3p_endo anti
+B291 : C C2p_endo anti
+B292 : G C3p_exo anti
+B293 : G C3p_endo anti
+B294 : A C3p_endo anti
+B295 : U C3p_endo anti
+B296 : G C2p_exo anti
+B297 : C C3p_endo anti
+B298 : G C3p_endo anti
+B299 : A C3p_endo anti
+B300 : G C3p_endo anti
+B301 : A C3p_endo anti
+B302 : G C3p_endo anti
+B303 : U C3p_endo anti
+B304 : A C3p_endo anti
+B305 : G C2p_exo anti
+B306 : G C3p_endo anti
+B307 : U C3p_endo anti
+B308 : C C3p_endo anti
+A1 : MET
+A2 : PHE
+A3 : THR
+A4 : ILE
+A5 : ASN
+A6 : ALA
+A7 : GLU
+A8 : VAL
+A9 : ARG
+A10 : LYS
+A11 : GLU
+A12 : GLN
+A13 : GLY
+A14 : LYS
+A15 : GLY
+A16 : ALA
+A17 : SER
+A18 : ARG
+A19 : ARG
+A20 : LEU
+A21 : ARG
+A22 : ALA
+A23 : ALA
+A24 : ASN
+A25 : LYS
+A26 : PHE
+A27 : PRO
+A28 : ALA
+A29 : ILE
+A30 : ILE
+A31 : TYR
+A32 : GLY
+A33 : GLY
+A34 : LYS
+A35 : GLU
+A36 : ALA
+A37 : PRO
+A38 : LEU
+A39 : ALA
+A40 : ILE
+A41 : GLU
+A42 : LEU
+A43 : ASP
+A44 : HIS
+A45 : ASP
+A46 : LYS
+A47 : VAL
+A48 : MET
+A49 : ASN
+A50 : MET
+A51 : GLN
+A52 : ALA
+A53 : LYS
+A54 : ALA
+A55 : GLU
+A56 : PHE
+A57 : TYR
+A58 : SER
+A59 : GLU
+A60 : VAL
+A61 : LEU
+A62 : THR
+A63 : ILE
+A64 : VAL
+A65 : VAL
+A66 : ASP
+A67 : GLY
+A68 : LYS
+A69 : GLU
+A70 : ILE
+A71 : LYS
+A72 : VAL
+A73 : LYS
+A74 : ALA
+A75 : GLN
+A76 : ASP
+A77 : VAL
+A78 : GLN
+A79 : ARG
+A80 : HIS
+A81 : PRO
+A82 : TYR
+A83 : LYS
+A84 : PRO
+A85 : LYS
+A86 : LEU
+A87 : GLN
+A88 : HIS
+A89 : ILE
+A90 : ASP
+A91 : PHE
+A92 : VAL
+A93 : ARG
+A94 : ALA
+Adjacent stackings ----------------------------------------------
+B268-B269 : adjacent_5p upward 
+B269-B270 : adjacent_5p upward 
+B270-B271 : adjacent_5p upward 
+B271-B272 : adjacent_5p upward 
+B273-B274 : adjacent_5p upward 
+B274-B275 : adjacent_5p upward 
+B275-B276 : adjacent_5p upward 
+B276-B277 : adjacent_5p upward 
+B277-B278 : adjacent_5p upward 
+B278-B279 : adjacent_5p upward 
+B279-B280 : adjacent_5p upward 
+B281-B282 : adjacent_5p upward 
+B282-B283 : adjacent_5p upward 
+B283-B284 : adjacent_5p upward 
+B293-B294 : adjacent_5p upward 
+B294-B295 : adjacent_5p upward 
+B295-B296 : adjacent_5p upward 
+B296-B297 : adjacent_5p upward 
+B299-B300 : adjacent_5p upward 
+B300-B301 : adjacent_5p upward 
+B301-B302 : adjacent_5p upward 
+B302-B303 : adjacent_5p upward 
+B303-B304 : adjacent_5p upward 
+B304-B305 : adjacent_5p upward 
+B305-B306 : adjacent_5p upward 
+B306-B307 : adjacent_5p upward 
+B307-B308 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+B273-B304 : outward 
+B278-B299 : outward 
+B281-B296 : outward 
+Number of stackings = 30
+Number of adjacent stackings = 27
+Number of non adjacent stackings = 3
+Base-pairs ------------------------------------------------------
+A14-B279 : LYS-G pairing one_hbond 
+A31-B273 : TYR-A pairing one_hbond 
+A88-B275 : HIS-G pairing one_hbond 
+B267-B272 : G-G Ws/Wh pairing antiparallel cis one_hbond 115 
+B268-B308 : G-C Ww/Ww pairing antiparallel cis XIX 
+B269-B307 : A-U Ww/Ww pairing antiparallel cis XX 
+B270-B306 : C-G Ww/Ww pairing antiparallel cis XIX 
+B271-B305 : C-G Ww/Ww pairing antiparallel cis XIX 
+B272-B304 : G-A Ss/Hh O2'/Bh pairing antiparallel trans XI 
+B273-B303 : A-U Hh/Ws pairing antiparallel trans XXIV 
+B274-B302 : U-G Hw/Ww pairing antiparallel trans one_hbond 91 
+B276-B300 : G-G Ww/Bh pairing antiparallel trans 115 
+B277-B298 : U-G O2P/Ww pairing 
+B277-B299 : U-A Ws/Hh pairing antiparallel trans XXIV 
+B278-B298 : A-G Hh/Ss Bh/O2' pairing antiparallel trans XI 
+B279-B297 : G-C Ww/Ww pairing antiparallel cis XIX 
+B280-B296 : U-G Ws/Ww pairing antiparallel cis XXVIII 
+B281-B295 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+B282-B294 : U-A Ww/Ww pairing antiparallel cis XX 
+B283-B293 : C-G Ww/Ww pairing antiparallel cis XIX 
+B284-B292 : U-G Ss/Ws O2'/Ww pairing parallel trans one_hbond 
+B285-B291 : U-C O2P/Bh adjacent_5p pairing 
+B292-B293 : G-G O2'/C8 adjacent_5p pairing 
+Residue conformations -------------------------------------------
+B267 : G C3p_endo anti
+B268 : G C3p_endo anti
+B269 : A C3p_endo anti
+B270 : C C3p_endo anti
+B271 : C C3p_endo anti
+B272 : G C3p_endo anti
+B273 : A C2p_exo anti
+B274 : U C3p_endo anti
+B275 : G C3p_endo anti
+B276 : G C3p_endo anti
+B277 : U C3p_endo anti
+B278 : A C3p_endo anti
+B279 : G C3p_endo anti
+B280 : U C3p_endo anti
+B281 : G C1p_endo anti
+B282 : U C3p_endo anti
+B283 : C C3p_endo anti
+B284 : U C3p_endo anti
+B285 : U C3p_exo anti
+B291 : C C2p_endo anti
+B292 : G C1p_endo anti
+B293 : G C3p_endo anti
+B294 : A C3p_endo anti
+B295 : U C3p_endo anti
+B296 : G C3p_endo anti
+B297 : C C3p_endo anti
+B298 : G C3p_endo anti
+B299 : A C2p_exo anti
+B300 : G C3p_endo anti
+B301 : A C3p_endo anti
+B302 : G C3p_endo anti
+B303 : U C3p_endo anti
+B304 : A C3p_endo anti
+B305 : G C3p_endo anti
+B306 : G C3p_endo anti
+B307 : U C3p_endo anti
+B308 : C C3p_endo anti
+A1 : MET
+A2 : PHE
+A3 : THR
+A4 : ILE
+A5 : ASN
+A6 : ALA
+A7 : GLU
+A8 : VAL
+A9 : ARG
+A10 : LYS
+A11 : GLU
+A12 : GLN
+A13 : GLY
+A14 : LYS
+A15 : GLY
+A16 : ALA
+A17 : SER
+A18 : ARG
+A19 : ARG
+A20 : LEU
+A21 : ARG
+A22 : ALA
+A23 : ALA
+A24 : ASN
+A25 : LYS
+A26 : PHE
+A27 : PRO
+A28 : ALA
+A29 : ILE
+A30 : ILE
+A31 : TYR
+A32 : GLY
+A33 : GLY
+A34 : LYS
+A35 : GLU
+A36 : ALA
+A37 : PRO
+A38 : LEU
+A39 : ALA
+A40 : ILE
+A41 : GLU
+A42 : LEU
+A43 : ASP
+A44 : HIS
+A45 : ASP
+A46 : LYS
+A47 : VAL
+A48 : MET
+A49 : ASN
+A50 : MET
+A51 : GLN
+A52 : ALA
+A53 : LYS
+A54 : ALA
+A55 : GLU
+A56 : PHE
+A57 : TYR
+A58 : SER
+A59 : GLU
+A60 : VAL
+A61 : LEU
+A62 : THR
+A63 : ILE
+A64 : VAL
+A65 : VAL
+A66 : ASP
+A67 : GLY
+A68 : LYS
+A69 : GLU
+A70 : ILE
+A71 : LYS
+A72 : VAL
+A73 : LYS
+A74 : ALA
+A75 : GLN
+A76 : ASP
+A77 : VAL
+A78 : GLN
+A79 : ARG
+A80 : HIS
+A81 : PRO
+A82 : TYR
+A83 : LYS
+A84 : PRO
+A85 : LYS
+A86 : LEU
+A87 : GLN
+A88 : HIS
+A89 : ILE
+A90 : ASP
+A91 : PHE
+A92 : VAL
+A93 : ARG
+A94 : ALA
+Adjacent stackings ----------------------------------------------
+B268-B269 : adjacent_5p upward 
+B269-B270 : adjacent_5p upward 
+B270-B271 : adjacent_5p upward 
+B271-B272 : adjacent_5p upward 
+B273-B274 : adjacent_5p upward 
+B274-B275 : adjacent_5p upward 
+B275-B276 : adjacent_5p upward 
+B276-B277 : adjacent_5p upward 
+B277-B278 : adjacent_5p upward 
+B278-B279 : adjacent_5p upward 
+B279-B280 : adjacent_5p upward 
+B281-B282 : adjacent_5p upward 
+B282-B283 : adjacent_5p upward 
+B283-B284 : adjacent_5p upward 
+B293-B294 : adjacent_5p upward 
+B294-B295 : adjacent_5p upward 
+B296-B297 : adjacent_5p upward 
+B297-B298 : adjacent_5p upward 
+B299-B300 : adjacent_5p upward 
+B300-B301 : adjacent_5p upward 
+B301-B302 : adjacent_5p upward 
+B302-B303 : adjacent_5p upward 
+B303-B304 : adjacent_5p upward 
+B304-B305 : adjacent_5p upward 
+B305-B306 : adjacent_5p upward 
+B306-B307 : adjacent_5p upward 
+B307-B308 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+B273-B304 : outward 
+B278-B299 : outward 
+B281-B296 : outward 
+Number of stackings = 30
+Number of adjacent stackings = 27
+Number of non adjacent stackings = 3
+Base-pairs ------------------------------------------------------
+A14-B280 : LYS-U pairing one_hbond 
+A17-B298 : SER-G pairing one_hbond 
+A31-B273 : TYR-A pairing one_hbond 
+A88-B275 : HIS-G pairing one_hbond 
+B268-B308 : G-C Ww/Ww pairing antiparallel cis XIX 
+B269-B307 : A-U Ww/Ww pairing antiparallel cis XX 
+B270-B306 : C-G Ww/Ww pairing antiparallel cis XIX 
+B271-B305 : C-G Ww/Ww pairing antiparallel cis XIX 
+B272-B303 : G-U Ww/O2P pairing 
+B272-B304 : G-A Ss/Hh O2'/Bh pairing antiparallel trans XI 
+B273-B303 : A-U Hh/Ws pairing antiparallel trans XXIV 
+B274-B302 : U-G Hw/Ww pairing antiparallel trans one_hbond 91 
+B275-B301 : G-A Wh/Wh pairing antiparallel cis one_hbond 
+B276-B300 : G-G Ww/Bh pairing antiparallel trans 115 
+B277-B299 : U-A Ws/Hh pairing antiparallel trans XXIV 
+B278-B298 : A-G Hh/Ss Bh/O2' pairing antiparallel trans XI 
+B279-B297 : G-C Ww/Ww pairing antiparallel cis XIX 
+B280-B296 : U-G Ws/Ww pairing antiparallel cis XXVIII 
+B281-B295 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+B282-B294 : U-A Ww/Ww pairing antiparallel cis XX 
+B283-B293 : C-G Ww/Ww pairing antiparallel cis XIX 
+B284-B292 : U-G Bs/Ww pairing parallel trans one_hbond 87 
+B285-B291 : U-C O2P/Bh adjacent_5p pairing 
+Residue conformations -------------------------------------------
+B267 : G C1p_exo anti
+B268 : G C3p_endo anti
+B269 : A C3p_endo anti
+B270 : C C3p_endo anti
+B271 : C C3p_endo anti
+B272 : G C3p_endo anti
+B273 : A C3p_endo anti
+B274 : U C4p_exo anti
+B275 : G C3p_endo anti
+B276 : G C3p_endo anti
+B277 : U C3p_endo anti
+B278 : A C3p_endo anti
+B279 : G C3p_endo anti
+B280 : U C3p_endo anti
+B281 : G C3p_endo anti
+B282 : U C3p_endo anti
+B283 : C C3p_endo anti
+B284 : U C3p_endo anti
+B285 : U C2p_endo anti
+B291 : C C3p_exo anti
+B292 : G C2p_endo anti
+B293 : G C2p_exo anti
+B294 : A C3p_endo anti
+B295 : U C3p_endo anti
+B296 : G C3p_endo anti
+B297 : C C3p_endo anti
+B298 : G C3p_endo anti
+B299 : A C2p_exo anti
+B300 : G C3p_endo anti
+B301 : A C3p_endo anti
+B302 : G C3p_endo anti
+B303 : U C3p_endo anti
+B304 : A C3p_endo anti
+B305 : G C3p_endo anti
+B306 : G C3p_endo anti
+B307 : U C3p_endo anti
+B308 : C C4p_exo anti
+A1 : MET
+A2 : PHE
+A3 : THR
+A4 : ILE
+A5 : ASN
+A6 : ALA
+A7 : GLU
+A8 : VAL
+A9 : ARG
+A10 : LYS
+A11 : GLU
+A12 : GLN
+A13 : GLY
+A14 : LYS
+A15 : GLY
+A16 : ALA
+A17 : SER
+A18 : ARG
+A19 : ARG
+A20 : LEU
+A21 : ARG
+A22 : ALA
+A23 : ALA
+A24 : ASN
+A25 : LYS
+A26 : PHE
+A27 : PRO
+A28 : ALA
+A29 : ILE
+A30 : ILE
+A31 : TYR
+A32 : GLY
+A33 : GLY
+A34 : LYS
+A35 : GLU
+A36 : ALA
+A37 : PRO
+A38 : LEU
+A39 : ALA
+A40 : ILE
+A41 : GLU
+A42 : LEU
+A43 : ASP
+A44 : HIS
+A45 : ASP
+A46 : LYS
+A47 : VAL
+A48 : MET
+A49 : ASN
+A50 : MET
+A51 : GLN
+A52 : ALA
+A53 : LYS
+A54 : ALA
+A55 : GLU
+A56 : PHE
+A57 : TYR
+A58 : SER
+A59 : GLU
+A60 : VAL
+A61 : LEU
+A62 : THR
+A63 : ILE
+A64 : VAL
+A65 : VAL
+A66 : ASP
+A67 : GLY
+A68 : LYS
+A69 : GLU
+A70 : ILE
+A71 : LYS
+A72 : VAL
+A73 : LYS
+A74 : ALA
+A75 : GLN
+A76 : ASP
+A77 : VAL
+A78 : GLN
+A79 : ARG
+A80 : HIS
+A81 : PRO
+A82 : TYR
+A83 : LYS
+A84 : PRO
+A85 : LYS
+A86 : LEU
+A87 : GLN
+A88 : HIS
+A89 : ILE
+A90 : ASP
+A91 : PHE
+A92 : VAL
+A93 : ARG
+A94 : ALA
+Adjacent stackings ----------------------------------------------
+B268-B269 : adjacent_5p upward 
+B269-B270 : adjacent_5p upward 
+B270-B271 : adjacent_5p upward 
+B271-B272 : adjacent_5p upward 
+B273-B274 : adjacent_5p upward 
+B274-B275 : adjacent_5p upward 
+B275-B276 : adjacent_5p upward 
+B276-B277 : adjacent_5p upward 
+B277-B278 : adjacent_5p upward 
+B278-B279 : adjacent_5p upward 
+B279-B280 : adjacent_5p upward 
+B281-B282 : adjacent_5p upward 
+B282-B283 : adjacent_5p upward 
+B283-B284 : adjacent_5p upward 
+B293-B294 : adjacent_5p upward 
+B294-B295 : adjacent_5p upward 
+B296-B297 : adjacent_5p upward 
+B299-B300 : adjacent_5p upward 
+B300-B301 : adjacent_5p upward 
+B301-B302 : adjacent_5p upward 
+B302-B303 : adjacent_5p upward 
+B304-B305 : adjacent_5p upward 
+B305-B306 : adjacent_5p upward 
+B306-B307 : adjacent_5p upward 
+B307-B308 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+B273-B304 : outward 
+B278-B299 : outward 
+B281-B296 : outward 
+Number of stackings = 28
+Number of adjacent stackings = 25
+Number of non adjacent stackings = 3
+Base-pairs ------------------------------------------------------
+A14-B279 : LYS-G pairing one_hbond 
+A31-B273 : TYR-A pairing one_hbond 
+B268-B308 : G-C Ww/Ww pairing antiparallel cis XIX 
+B269-B307 : A-U Ww/Ww pairing antiparallel cis XX 
+B270-B306 : C-G Ww/Ww pairing antiparallel cis XIX 
+B271-B305 : C-G Ww/Ww pairing antiparallel cis XIX 
+B272-B303 : G-U Ww/O2P pairing 
+B272-B304 : G-A Ss/Hh O2'/Bh pairing antiparallel trans XI 
+B273-B303 : A-U Hh/Ws pairing antiparallel trans XXIV 
+B274-B302 : U-G Hw/Ww pairing antiparallel trans one_hbond 91 
+B276-B300 : G-G Ww/Bh pairing antiparallel trans one_hbond 
+B277-B299 : U-A Ws/Hh pairing antiparallel trans XXIV 
+B278-B298 : A-G Hh/Ss O2P/Bs Bh/O2' pairing antiparallel trans XI 
+B279-B297 : G-C Ww/Ww pairing antiparallel cis XIX 
+B280-B296 : U-G Ws/Ww pairing antiparallel cis XXVIII 
+B281-B295 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+B282-B294 : U-A Ww/Ww pairing antiparallel cis XX 
+B283-B293 : C-G Ww/Ww pairing antiparallel cis XIX 
+B284-B292 : U-G Ss/Ws O2'/Ww pairing parallel trans one_hbond 
+B285-B291 : U-C O2P/Bh adjacent_5p pairing 
+B292-B293 : G-G O2'/C8 adjacent_5p pairing 
+Residue conformations -------------------------------------------
+B267 : G C4p_endo anti
+B268 : G C3p_endo anti
+B269 : A C3p_endo anti
+B270 : C C3p_endo anti
+B271 : C C3p_endo anti
+B272 : G C3p_endo anti
+B273 : A C3p_endo anti
+B274 : U C4p_exo anti
+B275 : G C3p_endo anti
+B276 : G C3p_endo anti
+B277 : U C3p_endo anti
+B278 : A C3p_endo anti
+B279 : G C3p_endo anti
+B280 : U C3p_endo anti
+B281 : G C2p_exo anti
+B282 : U C3p_endo anti
+B283 : C C3p_endo anti
+B284 : U C3p_endo anti
+B285 : U C2p_endo anti
+B291 : C C2p_endo anti
+B292 : G C1p_endo anti
+B293 : G C3p_endo anti
+B294 : A C3p_endo anti
+B295 : U C3p_endo anti
+B296 : G C3p_endo anti
+B297 : C C3p_endo anti
+B298 : G C3p_endo anti
+B299 : A C2p_exo anti
+B300 : G C1p_endo anti
+B301 : A C3p_endo anti
+B302 : G C3p_endo anti
+B303 : U C3p_endo anti
+B304 : A C3p_endo anti
+B305 : G C3p_endo anti
+B306 : G C3p_endo anti
+B307 : U C3p_endo anti
+B308 : C C3p_endo anti
+A1 : MET
+A2 : PHE
+A3 : THR
+A4 : ILE
+A5 : ASN
+A6 : ALA
+A7 : GLU
+A8 : VAL
+A9 : ARG
+A10 : LYS
+A11 : GLU
+A12 : GLN
+A13 : GLY
+A14 : LYS
+A15 : GLY
+A16 : ALA
+A17 : SER
+A18 : ARG
+A19 : ARG
+A20 : LEU
+A21 : ARG
+A22 : ALA
+A23 : ALA
+A24 : ASN
+A25 : LYS
+A26 : PHE
+A27 : PRO
+A28 : ALA
+A29 : ILE
+A30 : ILE
+A31 : TYR
+A32 : GLY
+A33 : GLY
+A34 : LYS
+A35 : GLU
+A36 : ALA
+A37 : PRO
+A38 : LEU
+A39 : ALA
+A40 : ILE
+A41 : GLU
+A42 : LEU
+A43 : ASP
+A44 : HIS
+A45 : ASP
+A46 : LYS
+A47 : VAL
+A48 : MET
+A49 : ASN
+A50 : MET
+A51 : GLN
+A52 : ALA
+A53 : LYS
+A54 : ALA
+A55 : GLU
+A56 : PHE
+A57 : TYR
+A58 : SER
+A59 : GLU
+A60 : VAL
+A61 : LEU
+A62 : THR
+A63 : ILE
+A64 : VAL
+A65 : VAL
+A66 : ASP
+A67 : GLY
+A68 : LYS
+A69 : GLU
+A70 : ILE
+A71 : LYS
+A72 : VAL
+A73 : LYS
+A74 : ALA
+A75 : GLN
+A76 : ASP
+A77 : VAL
+A78 : GLN
+A79 : ARG
+A80 : HIS
+A81 : PRO
+A82 : TYR
+A83 : LYS
+A84 : PRO
+A85 : LYS
+A86 : LEU
+A87 : GLN
+A88 : HIS
+A89 : ILE
+A90 : ASP
+A91 : PHE
+A92 : VAL
+A93 : ARG
+A94 : ALA
+Adjacent stackings ----------------------------------------------
+B268-B269 : adjacent_5p upward 
+B269-B270 : adjacent_5p upward 
+B270-B271 : adjacent_5p upward 
+B271-B272 : adjacent_5p upward 
+B273-B274 : adjacent_5p upward 
+B274-B275 : adjacent_5p upward 
+B275-B276 : adjacent_5p upward 
+B276-B277 : adjacent_5p upward 
+B277-B278 : adjacent_5p upward 
+B278-B279 : adjacent_5p upward 
+B279-B280 : adjacent_5p upward 
+B281-B282 : adjacent_5p upward 
+B282-B283 : adjacent_5p upward 
+B283-B284 : adjacent_5p upward 
+B293-B294 : adjacent_5p upward 
+B294-B295 : adjacent_5p upward 
+B295-B296 : adjacent_5p upward 
+B296-B297 : adjacent_5p upward 
+B297-B298 : adjacent_5p upward 
+B299-B300 : adjacent_5p upward 
+B300-B301 : adjacent_5p upward 
+B301-B302 : adjacent_5p upward 
+B302-B303 : adjacent_5p upward 
+B303-B304 : adjacent_5p upward 
+B304-B305 : adjacent_5p upward 
+B305-B306 : adjacent_5p upward 
+B306-B307 : adjacent_5p upward 
+B307-B308 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+B273-B304 : outward 
+B278-B299 : outward 
+B281-B296 : outward 
+Number of stackings = 31
+Number of adjacent stackings = 28
+Number of non adjacent stackings = 3
+Base-pairs ------------------------------------------------------
+A31-B273 : TYR-A pairing one_hbond 
+A31-B274 : TYR-U pairing one_hbond 
+B268-B308 : G-C Ww/Ww pairing antiparallel cis XIX 
+B269-B307 : A-U Ww/Ww pairing antiparallel cis XX 
+B270-B306 : C-G Ww/Ww pairing antiparallel cis XIX 
+B271-B305 : C-G Ww/Ww pairing antiparallel cis XIX 
+B272-B303 : G-U Ww/O2P pairing 
+B272-B304 : G-A Ss/Hh O2'/Bh pairing antiparallel trans XI 
+B273-B303 : A-U Hh/Ws pairing antiparallel trans XXIV 
+B274-B302 : U-G Hw/Ww pairing antiparallel trans one_hbond 91 
+B275-B301 : G-A Wh/Wh pairing antiparallel cis one_hbond 
+B276-B300 : G-G Ww/Hw pairing antiparallel trans one_hbond 
+B277-B299 : U-A Ws/Hh pairing antiparallel trans XXIV 
+B278-B298 : A-G Hh/Ss Bh/O2' pairing antiparallel trans XI 
+B279-B297 : G-C Ww/Ww pairing antiparallel cis XIX 
+B280-B296 : U-G Ws/Ww pairing antiparallel cis XXVIII 
+B281-B295 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+B282-B294 : U-A Ww/Ww pairing antiparallel cis XX 
+B283-B293 : C-G Ww/Ww pairing antiparallel cis XIX 
+B284-B292 : U-G Ws/Ws pairing parallel trans one_hbond 87 
+B285-B291 : U-C O2P/Bh adjacent_5p pairing 
+B285-B292 : U-G O2'/Hh pairing 
+Residue conformations -------------------------------------------
+B267 : G C3p_endo anti
+B268 : G O4p_endo anti
+B269 : A C3p_endo anti
+B270 : C C3p_endo anti
+B271 : C C3p_endo anti
+B272 : G C3p_endo anti
+B273 : A C2p_exo anti
+B274 : U C3p_endo anti
+B275 : G C3p_endo anti
+B276 : G C3p_endo anti
+B277 : U C3p_endo anti
+B278 : A C3p_endo anti
+B279 : G C3p_endo anti
+B280 : U C3p_endo anti
+B281 : G C4p_exo anti
+B282 : U C3p_endo anti
+B283 : C C3p_endo anti
+B284 : U C3p_endo anti
+B285 : U C3p_endo anti
+B291 : C C2p_exo anti
+B292 : G C3p_exo anti
+B293 : G C2p_exo anti
+B294 : A C3p_endo anti
+B295 : U C3p_endo anti
+B296 : G C3p_endo anti
+B297 : C C3p_endo anti
+B298 : G C3p_endo anti
+B299 : A C2p_exo anti
+B300 : G C3p_endo anti
+B301 : A C3p_endo anti
+B302 : G C3p_endo anti
+B303 : U C3p_endo anti
+B304 : A C3p_endo anti
+B305 : G C3p_endo anti
+B306 : G C3p_endo anti
+B307 : U C3p_endo anti
+B308 : C C4p_exo anti
+A1 : MET
+A2 : PHE
+A3 : THR
+A4 : ILE
+A5 : ASN
+A6 : ALA
+A7 : GLU
+A8 : VAL
+A9 : ARG
+A10 : LYS
+A11 : GLU
+A12 : GLN
+A13 : GLY
+A14 : LYS
+A15 : GLY
+A16 : ALA
+A17 : SER
+A18 : ARG
+A19 : ARG
+A20 : LEU
+A21 : ARG
+A22 : ALA
+A23 : ALA
+A24 : ASN
+A25 : LYS
+A26 : PHE
+A27 : PRO
+A28 : ALA
+A29 : ILE
+A30 : ILE
+A31 : TYR
+A32 : GLY
+A33 : GLY
+A34 : LYS
+A35 : GLU
+A36 : ALA
+A37 : PRO
+A38 : LEU
+A39 : ALA
+A40 : ILE
+A41 : GLU
+A42 : LEU
+A43 : ASP
+A44 : HIS
+A45 : ASP
+A46 : LYS
+A47 : VAL
+A48 : MET
+A49 : ASN
+A50 : MET
+A51 : GLN
+A52 : ALA
+A53 : LYS
+A54 : ALA
+A55 : GLU
+A56 : PHE
+A57 : TYR
+A58 : SER
+A59 : GLU
+A60 : VAL
+A61 : LEU
+A62 : THR
+A63 : ILE
+A64 : VAL
+A65 : VAL
+A66 : ASP
+A67 : GLY
+A68 : LYS
+A69 : GLU
+A70 : ILE
+A71 : LYS
+A72 : VAL
+A73 : LYS
+A74 : ALA
+A75 : GLN
+A76 : ASP
+A77 : VAL
+A78 : GLN
+A79 : ARG
+A80 : HIS
+A81 : PRO
+A82 : TYR
+A83 : LYS
+A84 : PRO
+A85 : LYS
+A86 : LEU
+A87 : GLN
+A88 : HIS
+A89 : ILE
+A90 : ASP
+A91 : PHE
+A92 : VAL
+A93 : ARG
+A94 : ALA
+Adjacent stackings ----------------------------------------------
+B268-B269 : adjacent_5p upward 
+B269-B270 : adjacent_5p upward 
+B270-B271 : adjacent_5p upward 
+B271-B272 : adjacent_5p upward 
+B273-B274 : adjacent_5p upward 
+B274-B275 : adjacent_5p upward 
+B275-B276 : adjacent_5p upward 
+B276-B277 : adjacent_5p upward 
+B277-B278 : adjacent_5p upward 
+B278-B279 : adjacent_5p upward 
+B279-B280 : adjacent_5p upward 
+B280-B281 : adjacent_5p upward 
+B281-B282 : adjacent_5p upward 
+B282-B283 : adjacent_5p upward 
+B283-B284 : adjacent_5p upward 
+B293-B294 : adjacent_5p upward 
+B294-B295 : adjacent_5p upward 
+B295-B296 : adjacent_5p upward 
+B296-B297 : adjacent_5p upward 
+B297-B298 : adjacent_5p upward 
+B299-B300 : adjacent_5p upward 
+B300-B301 : adjacent_5p upward 
+B301-B302 : adjacent_5p upward 
+B302-B303 : adjacent_5p upward 
+B303-B304 : adjacent_5p upward 
+B304-B305 : adjacent_5p upward 
+B305-B306 : adjacent_5p upward 
+B306-B307 : adjacent_5p upward 
+B307-B308 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+B273-B304 : outward 
+B278-B299 : outward 
+B281-B296 : outward 
+Number of stackings = 32
+Number of adjacent stackings = 29
+Number of non adjacent stackings = 3
+Base-pairs ------------------------------------------------------
+A14-B279 : LYS-G pairing one_hbond 
+A31-B273 : TYR-A pairing one_hbond 
+B268-B308 : G-C Ww/Ww pairing antiparallel cis XIX 
+B269-B307 : A-U Ww/Ww pairing antiparallel cis XX 
+B270-B306 : C-G Ww/Ww pairing antiparallel cis XIX 
+B271-B305 : C-G Ww/Ww pairing antiparallel cis XIX 
+B272-B304 : G-A Ss/Hh O2'/Bh pairing antiparallel trans XI 
+B273-B303 : A-U Hh/Ws pairing antiparallel trans XXIV 
+B274-B302 : U-G Hw/Ww pairing antiparallel trans one_hbond 91 
+B276-B300 : G-G Ww/Bh pairing antiparallel trans 115 
+B277-B298 : U-G O2P/Ww pairing 
+B277-B299 : U-A Ws/Hh pairing antiparallel trans XXIV 
+B278-B298 : A-G Hh/Ss Bh/O2' pairing antiparallel trans XI 
+B279-B297 : G-C Ww/Ww pairing antiparallel cis XIX 
+B280-B296 : U-G Ws/Ww pairing antiparallel cis XXVIII 
+B281-B295 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+B282-B294 : U-A Ww/Ww pairing antiparallel cis XX 
+B283-B293 : C-G Ww/Ww pairing antiparallel cis XIX 
+B292-B293 : G-G O2'/C8 adjacent_5p pairing 
+Residue conformations -------------------------------------------
+B267 : G C1p_exo anti
+B268 : G C2p_exo anti
+B269 : A C3p_endo anti
+B270 : C C3p_endo anti
+B271 : C C3p_endo anti
+B272 : G C3p_endo anti
+B273 : A C2p_exo anti
+B274 : U C2p_exo anti
+B275 : G C3p_endo anti
+B276 : G C3p_endo anti
+B277 : U C3p_endo anti
+B278 : A C3p_endo anti
+B279 : G C3p_endo anti
+B280 : U C3p_endo anti
+B281 : G C2p_exo anti
+B282 : U C3p_endo anti
+B283 : C C3p_endo anti
+B284 : U C2p_exo anti
+B285 : U C3p_exo anti
+B291 : C C2p_exo anti
+B292 : G C2p_endo anti
+B293 : G C3p_endo anti
+B294 : A C3p_endo anti
+B295 : U C3p_endo anti
+B296 : G C2p_exo anti
+B297 : C C3p_endo anti
+B298 : G C3p_endo anti
+B299 : A C2p_exo anti
+B300 : G C3p_endo anti
+B301 : A C2p_exo anti
+B302 : G C3p_endo anti
+B303 : U C3p_endo anti
+B304 : A C3p_endo anti
+B305 : G C3p_endo anti
+B306 : G C3p_endo anti
+B307 : U C3p_endo anti
+B308 : C C3p_endo anti
+A1 : MET
+A2 : PHE
+A3 : THR
+A4 : ILE
+A5 : ASN
+A6 : ALA
+A7 : GLU
+A8 : VAL
+A9 : ARG
+A10 : LYS
+A11 : GLU
+A12 : GLN
+A13 : GLY
+A14 : LYS
+A15 : GLY
+A16 : ALA
+A17 : SER
+A18 : ARG
+A19 : ARG
+A20 : LEU
+A21 : ARG
+A22 : ALA
+A23 : ALA
+A24 : ASN
+A25 : LYS
+A26 : PHE
+A27 : PRO
+A28 : ALA
+A29 : ILE
+A30 : ILE
+A31 : TYR
+A32 : GLY
+A33 : GLY
+A34 : LYS
+A35 : GLU
+A36 : ALA
+A37 : PRO
+A38 : LEU
+A39 : ALA
+A40 : ILE
+A41 : GLU
+A42 : LEU
+A43 : ASP
+A44 : HIS
+A45 : ASP
+A46 : LYS
+A47 : VAL
+A48 : MET
+A49 : ASN
+A50 : MET
+A51 : GLN
+A52 : ALA
+A53 : LYS
+A54 : ALA
+A55 : GLU
+A56 : PHE
+A57 : TYR
+A58 : SER
+A59 : GLU
+A60 : VAL
+A61 : LEU
+A62 : THR
+A63 : ILE
+A64 : VAL
+A65 : VAL
+A66 : ASP
+A67 : GLY
+A68 : LYS
+A69 : GLU
+A70 : ILE
+A71 : LYS
+A72 : VAL
+A73 : LYS
+A74 : ALA
+A75 : GLN
+A76 : ASP
+A77 : VAL
+A78 : GLN
+A79 : ARG
+A80 : HIS
+A81 : PRO
+A82 : TYR
+A83 : LYS
+A84 : PRO
+A85 : LYS
+A86 : LEU
+A87 : GLN
+A88 : HIS
+A89 : ILE
+A90 : ASP
+A91 : PHE
+A92 : VAL
+A93 : ARG
+A94 : ALA
+Adjacent stackings ----------------------------------------------
+B268-B269 : adjacent_5p upward 
+B269-B270 : adjacent_5p upward 
+B270-B271 : adjacent_5p upward 
+B271-B272 : adjacent_5p upward 
+B273-B274 : adjacent_5p upward 
+B274-B275 : adjacent_5p upward 
+B275-B276 : adjacent_5p upward 
+B276-B277 : adjacent_5p upward 
+B277-B278 : adjacent_5p upward 
+B278-B279 : adjacent_5p upward 
+B279-B280 : adjacent_5p upward 
+B281-B282 : adjacent_5p upward 
+B282-B283 : adjacent_5p upward 
+B293-B294 : adjacent_5p upward 
+B294-B295 : adjacent_5p upward 
+B295-B296 : adjacent_5p upward 
+B296-B297 : adjacent_5p upward 
+B299-B300 : adjacent_5p upward 
+B300-B301 : adjacent_5p upward 
+B301-B302 : adjacent_5p upward 
+B302-B303 : adjacent_5p upward 
+B303-B304 : adjacent_5p upward 
+B304-B305 : adjacent_5p upward 
+B305-B306 : adjacent_5p upward 
+B306-B307 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+B273-B304 : outward 
+B278-B299 : outward 
+B281-B296 : outward 
+Number of stackings = 28
+Number of adjacent stackings = 25
+Number of non adjacent stackings = 3
+Base-pairs ------------------------------------------------------
+A17-B298 : SER-G pairing one_hbond 
+A31-B273 : TYR-A pairing one_hbond 
+B268-B308 : G-C Ww/Ww pairing antiparallel cis XIX 
+B269-B307 : A-U Ww/Ww pairing antiparallel cis XX 
+B270-B306 : C-G Ww/Ww pairing antiparallel cis XIX 
+B271-B305 : C-G Ww/Ww pairing antiparallel cis XIX 
+B272-B304 : G-A Ss/Hh O2'/Bh pairing antiparallel trans XI 
+B273-B303 : A-U Hh/Ws pairing antiparallel trans XXIV 
+B274-B302 : U-G Hw/Ww pairing antiparallel trans one_hbond 91 
+B276-B300 : G-G Ww/Bh pairing antiparallel trans 115 
+B277-B298 : U-G O2P/Ww pairing 
+B277-B299 : U-A Ww/Hh pairing antiparallel trans 
+B278-B298 : A-G Hh/Ss Bh/O2' pairing antiparallel trans XI 
+B279-B297 : G-C Ww/Ww pairing antiparallel cis XIX 
+B280-B296 : U-G Ws/Ww pairing antiparallel cis XXVIII 
+B281-B295 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+B282-B294 : U-A Ww/Ww pairing antiparallel cis XX 
+B283-B285 : C-U Hh/O2P pairing 
+B283-B293 : C-G Ww/Ww pairing antiparallel cis XIX 
+B284-B291 : U-C O2'/Bh pairing 
+Residue conformations -------------------------------------------
+B267 : G C2p_endo anti
+B268 : G C3p_endo anti
+B269 : A C3p_endo anti
+B270 : C C3p_endo anti
+B271 : C C3p_endo anti
+B272 : G C3p_endo anti
+B273 : A C2p_exo anti
+B274 : U C4p_exo anti
+B275 : G C3p_endo anti
+B276 : G C3p_endo anti
+B277 : U C3p_endo anti
+B278 : A C3p_endo anti
+B279 : G C3p_endo anti
+B280 : U C3p_endo anti
+B281 : G C3p_endo anti
+B282 : U C3p_endo anti
+B283 : C C3p_endo anti
+B284 : U C3p_endo anti
+B285 : U C1p_endo syn
+B291 : C C4p_endo anti
+B292 : G O4p_endo anti
+B293 : G C3p_endo anti
+B294 : A C3p_endo anti
+B295 : U C3p_endo anti
+B296 : G C3p_endo anti
+B297 : C C3p_endo anti
+B298 : G C3p_endo anti
+B299 : A C2p_exo anti
+B300 : G C3p_endo anti
+B301 : A C3p_endo anti
+B302 : G C3p_endo anti
+B303 : U C3p_endo anti
+B304 : A C3p_endo anti
+B305 : G C2p_exo anti
+B306 : G C3p_endo anti
+B307 : U C3p_endo anti
+B308 : C C3p_endo anti
+A1 : MET
+A2 : PHE
+A3 : THR
+A4 : ILE
+A5 : ASN
+A6 : ALA
+A7 : GLU
+A8 : VAL
+A9 : ARG
+A10 : LYS
+A11 : GLU
+A12 : GLN
+A13 : GLY
+A14 : LYS
+A15 : GLY
+A16 : ALA
+A17 : SER
+A18 : ARG
+A19 : ARG
+A20 : LEU
+A21 : ARG
+A22 : ALA
+A23 : ALA
+A24 : ASN
+A25 : LYS
+A26 : PHE
+A27 : PRO
+A28 : ALA
+A29 : ILE
+A30 : ILE
+A31 : TYR
+A32 : GLY
+A33 : GLY
+A34 : LYS
+A35 : GLU
+A36 : ALA
+A37 : PRO
+A38 : LEU
+A39 : ALA
+A40 : ILE
+A41 : GLU
+A42 : LEU
+A43 : ASP
+A44 : HIS
+A45 : ASP
+A46 : LYS
+A47 : VAL
+A48 : MET
+A49 : ASN
+A50 : MET
+A51 : GLN
+A52 : ALA
+A53 : LYS
+A54 : ALA
+A55 : GLU
+A56 : PHE
+A57 : TYR
+A58 : SER
+A59 : GLU
+A60 : VAL
+A61 : LEU
+A62 : THR
+A63 : ILE
+A64 : VAL
+A65 : VAL
+A66 : ASP
+A67 : GLY
+A68 : LYS
+A69 : GLU
+A70 : ILE
+A71 : LYS
+A72 : VAL
+A73 : LYS
+A74 : ALA
+A75 : GLN
+A76 : ASP
+A77 : VAL
+A78 : GLN
+A79 : ARG
+A80 : HIS
+A81 : PRO
+A82 : TYR
+A83 : LYS
+A84 : PRO
+A85 : LYS
+A86 : LEU
+A87 : GLN
+A88 : HIS
+A89 : ILE
+A90 : ASP
+A91 : PHE
+A92 : VAL
+A93 : ARG
+A94 : ALA
+Adjacent stackings ----------------------------------------------
+B268-B269 : adjacent_5p upward 
+B269-B270 : adjacent_5p upward 
+B270-B271 : adjacent_5p upward 
+B271-B272 : adjacent_5p upward 
+B273-B274 : adjacent_5p upward 
+B274-B275 : adjacent_5p upward 
+B275-B276 : adjacent_5p upward 
+B276-B277 : adjacent_5p upward 
+B277-B278 : adjacent_5p upward 
+B278-B279 : adjacent_5p upward 
+B279-B280 : adjacent_5p upward 
+B281-B282 : adjacent_5p upward 
+B282-B283 : adjacent_5p upward 
+B283-B284 : adjacent_5p upward 
+B293-B294 : adjacent_5p upward 
+B294-B295 : adjacent_5p upward 
+B295-B296 : adjacent_5p upward 
+B296-B297 : adjacent_5p upward 
+B297-B298 : adjacent_5p upward 
+B299-B300 : adjacent_5p upward 
+B300-B301 : adjacent_5p upward 
+B301-B302 : adjacent_5p upward 
+B302-B303 : adjacent_5p upward 
+B303-B304 : adjacent_5p upward 
+B304-B305 : adjacent_5p upward 
+B305-B306 : adjacent_5p upward 
+B306-B307 : adjacent_5p upward 
+B307-B308 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+B273-B304 : outward 
+B278-B299 : outward 
+B281-B296 : outward 
+Number of stackings = 31
+Number of adjacent stackings = 28
+Number of non adjacent stackings = 3
+Base-pairs ------------------------------------------------------
+A31-B273 : TYR-A pairing one_hbond 
+A31-B274 : TYR-U pairing one_hbond 
+B267-B268 : G-G Bs/O2' Ss/O2' adjacent_5p pairing 
+B268-B308 : G-C Ww/Ww pairing antiparallel cis XIX 
+B269-B307 : A-U Ww/Ww pairing antiparallel cis XX 
+B270-B306 : C-G Ww/Ww pairing antiparallel cis XIX 
+B271-B305 : C-G Ww/Ww pairing antiparallel cis XIX 
+B272-B304 : G-A Ss/Hh O2'/Bh pairing antiparallel trans XI 
+B273-B303 : A-U Hh/Ws pairing antiparallel trans XXIV 
+B274-B302 : U-G Hw/Ww pairing antiparallel trans one_hbond 91 
+B276-B300 : G-G Ww/Bh pairing antiparallel trans 115 
+B277-B299 : U-A Ws/Hh pairing antiparallel trans XXIV 
+B278-B298 : A-G Hh/Ss Bh/O2' pairing antiparallel trans XI 
+B279-B297 : G-C Ww/Ww pairing antiparallel cis XIX 
+B280-B296 : U-G Ws/Ww pairing antiparallel cis XXVIII 
+B281-B295 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+B282-B294 : U-A Ww/Ww pairing antiparallel cis XX 
+B283-B293 : C-G Ww/Ww pairing antiparallel cis XIX 
+Residue conformations -------------------------------------------
+B267 : G C2p_exo anti
+B268 : G C3p_endo anti
+B269 : A C2p_exo anti
+B270 : C C3p_endo anti
+B271 : C C3p_endo anti
+B272 : G C3p_endo anti
+B273 : A C2p_exo anti
+B274 : U C4p_exo anti
+B275 : G C3p_endo anti
+B276 : G C3p_endo anti
+B277 : U C3p_endo anti
+B278 : A C3p_endo anti
+B279 : G C3p_endo anti
+B280 : U C3p_endo anti
+B281 : G C2p_exo anti
+B282 : U C3p_endo anti
+B283 : C C3p_endo anti
+B284 : U C3p_endo anti
+B285 : U C2p_endo anti
+B291 : C C3p_exo anti
+B292 : G C2p_exo anti
+B293 : G C2p_exo anti
+B294 : A C3p_endo anti
+B295 : U C3p_endo anti
+B296 : G C2p_exo anti
+B297 : C C3p_endo anti
+B298 : G C3p_endo anti
+B299 : A C1p_endo anti
+B300 : G C3p_endo anti
+B301 : A C3p_endo anti
+B302 : G C3p_endo anti
+B303 : U C3p_endo anti
+B304 : A C3p_endo anti
+B305 : G C2p_exo anti
+B306 : G C3p_endo anti
+B307 : U C3p_endo anti
+B308 : C C3p_endo anti
+A1 : MET
+A2 : PHE
+A3 : THR
+A4 : ILE
+A5 : ASN
+A6 : ALA
+A7 : GLU
+A8 : VAL
+A9 : ARG
+A10 : LYS
+A11 : GLU
+A12 : GLN
+A13 : GLY
+A14 : LYS
+A15 : GLY
+A16 : ALA
+A17 : SER
+A18 : ARG
+A19 : ARG
+A20 : LEU
+A21 : ARG
+A22 : ALA
+A23 : ALA
+A24 : ASN
+A25 : LYS
+A26 : PHE
+A27 : PRO
+A28 : ALA
+A29 : ILE
+A30 : ILE
+A31 : TYR
+A32 : GLY
+A33 : GLY
+A34 : LYS
+A35 : GLU
+A36 : ALA
+A37 : PRO
+A38 : LEU
+A39 : ALA
+A40 : ILE
+A41 : GLU
+A42 : LEU
+A43 : ASP
+A44 : HIS
+A45 : ASP
+A46 : LYS
+A47 : VAL
+A48 : MET
+A49 : ASN
+A50 : MET
+A51 : GLN
+A52 : ALA
+A53 : LYS
+A54 : ALA
+A55 : GLU
+A56 : PHE
+A57 : TYR
+A58 : SER
+A59 : GLU
+A60 : VAL
+A61 : LEU
+A62 : THR
+A63 : ILE
+A64 : VAL
+A65 : VAL
+A66 : ASP
+A67 : GLY
+A68 : LYS
+A69 : GLU
+A70 : ILE
+A71 : LYS
+A72 : VAL
+A73 : LYS
+A74 : ALA
+A75 : GLN
+A76 : ASP
+A77 : VAL
+A78 : GLN
+A79 : ARG
+A80 : HIS
+A81 : PRO
+A82 : TYR
+A83 : LYS
+A84 : PRO
+A85 : LYS
+A86 : LEU
+A87 : GLN
+A88 : HIS
+A89 : ILE
+A90 : ASP
+A91 : PHE
+A92 : VAL
+A93 : ARG
+A94 : ALA
+Adjacent stackings ----------------------------------------------
+B268-B269 : adjacent_5p upward 
+B269-B270 : adjacent_5p upward 
+B270-B271 : adjacent_5p upward 
+B271-B272 : adjacent_5p upward 
+B273-B274 : adjacent_5p upward 
+B274-B275 : adjacent_5p upward 
+B275-B276 : adjacent_5p upward 
+B276-B277 : adjacent_5p upward 
+B277-B278 : adjacent_5p upward 
+B278-B279 : adjacent_5p upward 
+B279-B280 : adjacent_5p upward 
+B281-B282 : adjacent_5p upward 
+B282-B283 : adjacent_5p upward 
+B283-B284 : adjacent_5p upward 
+B291-B292 : adjacent_5p downward 
+B293-B294 : adjacent_5p upward 
+B294-B295 : adjacent_5p upward 
+B296-B297 : adjacent_5p upward 
+B299-B300 : adjacent_5p upward 
+B300-B301 : adjacent_5p upward 
+B301-B302 : adjacent_5p upward 
+B302-B303 : adjacent_5p upward 
+B303-B304 : adjacent_5p upward 
+B304-B305 : adjacent_5p upward 
+B305-B306 : adjacent_5p upward 
+B306-B307 : adjacent_5p upward 
+B307-B308 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+B273-B304 : outward 
+B278-B299 : outward 
+B281-B296 : outward 
+Number of stackings = 30
+Number of adjacent stackings = 27
+Number of non adjacent stackings = 3
+Base-pairs ------------------------------------------------------
+A14-B280 : LYS-U pairing one_hbond 
+B268-B308 : G-C Ww/Ww pairing antiparallel cis XIX 
+B269-B307 : A-U Ww/Ww pairing antiparallel cis XX 
+B270-B306 : C-G Ww/Ww pairing antiparallel cis XIX 
+B271-B305 : C-G Ww/Ww pairing antiparallel cis XIX 
+B272-B304 : G-A Ss/Hh O2'/Bh pairing antiparallel trans XI 
+B273-B303 : A-U Hh/Ws pairing antiparallel trans XXIV 
+B274-B302 : U-G Hw/Ww pairing antiparallel trans one_hbond 91 
+B276-B300 : G-G Ww/Bh pairing antiparallel trans 115 
+B277-B299 : U-A Ws/Hh pairing antiparallel trans XXIV 
+B278-B298 : A-G Hh/Ss Bh/O2' pairing antiparallel trans XI 
+B279-B297 : G-C Ww/Ww pairing antiparallel cis XIX 
+B280-B296 : U-G Ws/Ww pairing antiparallel cis XXVIII 
+B281-B295 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+B282-B294 : U-A Ww/Ww pairing antiparallel cis XX 
+B283-B293 : C-G Ww/Ww pairing antiparallel cis XIX 
+Residue conformations -------------------------------------------
+B267 : G C2p_exo anti
+B268 : G C3p_endo anti
+B269 : A C3p_endo anti
+B270 : C C3p_endo anti
+B271 : C C3p_endo anti
+B272 : G C3p_endo anti
+B273 : A C2p_exo anti
+B274 : U C4p_exo anti
+B275 : G C3p_endo anti
+B276 : G C3p_endo anti
+B277 : U C3p_endo anti
+B278 : A C3p_endo anti
+B279 : G C3p_endo anti
+B280 : U C3p_endo anti
+B281 : G C2p_exo anti
+B282 : U C3p_endo anti
+B283 : C C3p_endo anti
+B284 : U C3p_endo anti
+B285 : U C1p_endo anti
+B291 : C C3p_exo anti
+B292 : G C2p_endo anti
+B293 : G C2p_exo anti
+B294 : A C3p_endo anti
+B295 : U C3p_endo anti
+B296 : G C2p_exo anti
+B297 : C C3p_endo anti
+B298 : G C3p_endo anti
+B299 : A C2p_exo anti
+B300 : G C3p_endo anti
+B301 : A C3p_endo anti
+B302 : G C3p_endo anti
+B303 : U C3p_endo anti
+B304 : A C3p_endo anti
+B305 : G C3p_endo anti
+B306 : G C3p_endo anti
+B307 : U C3p_endo anti
+B308 : C C3p_endo anti
+A1 : MET
+A2 : PHE
+A3 : THR
+A4 : ILE
+A5 : ASN
+A6 : ALA
+A7 : GLU
+A8 : VAL
+A9 : ARG
+A10 : LYS
+A11 : GLU
+A12 : GLN
+A13 : GLY
+A14 : LYS
+A15 : GLY
+A16 : ALA
+A17 : SER
+A18 : ARG
+A19 : ARG
+A20 : LEU
+A21 : ARG
+A22 : ALA
+A23 : ALA
+A24 : ASN
+A25 : LYS
+A26 : PHE
+A27 : PRO
+A28 : ALA
+A29 : ILE
+A30 : ILE
+A31 : TYR
+A32 : GLY
+A33 : GLY
+A34 : LYS
+A35 : GLU
+A36 : ALA
+A37 : PRO
+A38 : LEU
+A39 : ALA
+A40 : ILE
+A41 : GLU
+A42 : LEU
+A43 : ASP
+A44 : HIS
+A45 : ASP
+A46 : LYS
+A47 : VAL
+A48 : MET
+A49 : ASN
+A50 : MET
+A51 : GLN
+A52 : ALA
+A53 : LYS
+A54 : ALA
+A55 : GLU
+A56 : PHE
+A57 : TYR
+A58 : SER
+A59 : GLU
+A60 : VAL
+A61 : LEU
+A62 : THR
+A63 : ILE
+A64 : VAL
+A65 : VAL
+A66 : ASP
+A67 : GLY
+A68 : LYS
+A69 : GLU
+A70 : ILE
+A71 : LYS
+A72 : VAL
+A73 : LYS
+A74 : ALA
+A75 : GLN
+A76 : ASP
+A77 : VAL
+A78 : GLN
+A79 : ARG
+A80 : HIS
+A81 : PRO
+A82 : TYR
+A83 : LYS
+A84 : PRO
+A85 : LYS
+A86 : LEU
+A87 : GLN
+A88 : HIS
+A89 : ILE
+A90 : ASP
+A91 : PHE
+A92 : VAL
+A93 : ARG
+A94 : ALA
+Adjacent stackings ----------------------------------------------
+B268-B269 : adjacent_5p upward 
+B269-B270 : adjacent_5p upward 
+B270-B271 : adjacent_5p upward 
+B271-B272 : adjacent_5p upward 
+B273-B274 : adjacent_5p upward 
+B274-B275 : adjacent_5p upward 
+B275-B276 : adjacent_5p upward 
+B276-B277 : adjacent_5p upward 
+B277-B278 : adjacent_5p upward 
+B278-B279 : adjacent_5p upward 
+B279-B280 : adjacent_5p upward 
+B281-B282 : adjacent_5p upward 
+B282-B283 : adjacent_5p upward 
+B283-B284 : adjacent_5p upward 
+B293-B294 : adjacent_5p upward 
+B294-B295 : adjacent_5p upward 
+B295-B296 : adjacent_5p upward 
+B296-B297 : adjacent_5p upward 
+B299-B300 : adjacent_5p upward 
+B300-B301 : adjacent_5p upward 
+B301-B302 : adjacent_5p upward 
+B302-B303 : adjacent_5p upward 
+B303-B304 : adjacent_5p upward 
+B304-B305 : adjacent_5p upward 
+B305-B306 : adjacent_5p upward 
+B306-B307 : adjacent_5p upward 
+B307-B308 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+B273-B304 : outward 
+B278-B299 : outward 
+B281-B296 : outward 
+Number of stackings = 30
+Number of adjacent stackings = 27
+Number of non adjacent stackings = 3
+Base-pairs ------------------------------------------------------
+A14-B279 : LYS-G pairing one_hbond 
+A37-B274 : PRO-U pairing one_hbond 
+A88-B275 : HIS-G pairing one_hbond 
+B268-B308 : G-C Ww/Ww pairing antiparallel cis XIX 
+B269-B307 : A-U Ww/Ww pairing antiparallel cis XX 
+B270-B306 : C-G Ww/Ww pairing antiparallel cis XIX 
+B271-B305 : C-G Ww/Ww pairing antiparallel cis XIX 
+B272-B303 : G-U Ww/O2P pairing 
+B272-B304 : G-A Ss/Hh O2'/Bh pairing antiparallel trans XI 
+B273-B303 : A-U Hh/Ws pairing antiparallel trans XXIV 
+B274-B302 : U-G Hw/Ww pairing antiparallel trans one_hbond 91 
+B275-B301 : G-A Wh/Wh pairing antiparallel cis one_hbond 
+B276-B300 : G-G Ww/Bh pairing antiparallel trans 115 
+B277-B299 : U-A Ws/Hh pairing antiparallel trans XXIV 
+B278-B298 : A-G Hh/Ss O2P/Bs Bh/O2' pairing antiparallel trans XI 
+B279-B297 : G-C Ww/Ww pairing antiparallel cis XIX 
+B280-B296 : U-G Ws/Ww pairing antiparallel cis XXVIII 
+B281-B295 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+B282-B294 : U-A Ww/Ww pairing antiparallel cis XX 
+B283-B293 : C-G Ww/Ww pairing antiparallel cis XIX 
+B292-B293 : G-G O2'/C8 adjacent_5p pairing 
+Residue conformations -------------------------------------------
+B267 : G C2p_endo syn
+B268 : G C2p_exo anti
+B269 : A C3p_endo anti
+B270 : C C3p_endo anti
+B271 : C C3p_endo anti
+B272 : G C3p_endo anti
+B273 : A C3p_endo anti
+B274 : U C3p_endo anti
+B275 : G C3p_endo anti
+B276 : G C3p_endo anti
+B277 : U C3p_endo anti
+B278 : A C3p_endo anti
+B279 : G C3p_endo anti
+B280 : U C3p_endo anti
+B281 : G C2p_exo anti
+B282 : U C3p_endo anti
+B283 : C C3p_endo anti
+B284 : U C3p_endo anti
+B285 : U C3p_exo anti
+B291 : C C2p_exo anti
+B292 : G C3p_exo anti
+B293 : G C3p_endo anti
+B294 : A C3p_endo anti
+B295 : U C3p_endo anti
+B296 : G C2p_exo anti
+B297 : C C3p_endo anti
+B298 : G C3p_endo anti
+B299 : A C2p_exo anti
+B300 : G C3p_endo anti
+B301 : A C3p_endo anti
+B302 : G C3p_endo anti
+B303 : U C3p_endo anti
+B304 : A C3p_endo anti
+B305 : G C3p_endo anti
+B306 : G C3p_endo anti
+B307 : U C3p_endo anti
+B308 : C C3p_endo anti
+A1 : MET
+A2 : PHE
+A3 : THR
+A4 : ILE
+A5 : ASN
+A6 : ALA
+A7 : GLU
+A8 : VAL
+A9 : ARG
+A10 : LYS
+A11 : GLU
+A12 : GLN
+A13 : GLY
+A14 : LYS
+A15 : GLY
+A16 : ALA
+A17 : SER
+A18 : ARG
+A19 : ARG
+A20 : LEU
+A21 : ARG
+A22 : ALA
+A23 : ALA
+A24 : ASN
+A25 : LYS
+A26 : PHE
+A27 : PRO
+A28 : ALA
+A29 : ILE
+A30 : ILE
+A31 : TYR
+A32 : GLY
+A33 : GLY
+A34 : LYS
+A35 : GLU
+A36 : ALA
+A37 : PRO
+A38 : LEU
+A39 : ALA
+A40 : ILE
+A41 : GLU
+A42 : LEU
+A43 : ASP
+A44 : HIS
+A45 : ASP
+A46 : LYS
+A47 : VAL
+A48 : MET
+A49 : ASN
+A50 : MET
+A51 : GLN
+A52 : ALA
+A53 : LYS
+A54 : ALA
+A55 : GLU
+A56 : PHE
+A57 : TYR
+A58 : SER
+A59 : GLU
+A60 : VAL
+A61 : LEU
+A62 : THR
+A63 : ILE
+A64 : VAL
+A65 : VAL
+A66 : ASP
+A67 : GLY
+A68 : LYS
+A69 : GLU
+A70 : ILE
+A71 : LYS
+A72 : VAL
+A73 : LYS
+A74 : ALA
+A75 : GLN
+A76 : ASP
+A77 : VAL
+A78 : GLN
+A79 : ARG
+A80 : HIS
+A81 : PRO
+A82 : TYR
+A83 : LYS
+A84 : PRO
+A85 : LYS
+A86 : LEU
+A87 : GLN
+A88 : HIS
+A89 : ILE
+A90 : ASP
+A91 : PHE
+A92 : VAL
+A93 : ARG
+A94 : ALA
+Adjacent stackings ----------------------------------------------
+B268-B269 : adjacent_5p upward 
+B269-B270 : adjacent_5p upward 
+B270-B271 : adjacent_5p upward 
+B271-B272 : adjacent_5p upward 
+B273-B274 : adjacent_5p upward 
+B274-B275 : adjacent_5p upward 
+B275-B276 : adjacent_5p upward 
+B276-B277 : adjacent_5p upward 
+B277-B278 : adjacent_5p upward 
+B278-B279 : adjacent_5p upward 
+B279-B280 : adjacent_5p upward 
+B281-B282 : adjacent_5p upward 
+B282-B283 : adjacent_5p upward 
+B293-B294 : adjacent_5p upward 
+B294-B295 : adjacent_5p upward 
+B296-B297 : adjacent_5p upward 
+B299-B300 : adjacent_5p upward 
+B300-B301 : adjacent_5p upward 
+B301-B302 : adjacent_5p upward 
+B302-B303 : adjacent_5p upward 
+B303-B304 : adjacent_5p upward 
+B304-B305 : adjacent_5p upward 
+B305-B306 : adjacent_5p upward 
+B306-B307 : adjacent_5p upward 
+B307-B308 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+B273-B304 : outward 
+B278-B299 : outward 
+B281-B296 : outward 
+Number of stackings = 28
+Number of adjacent stackings = 25
+Number of non adjacent stackings = 3
+Base-pairs ------------------------------------------------------
+A14-B279 : LYS-G pairing one_hbond 
+A17-B298 : SER-G pairing one_hbond 
+A31-B273 : TYR-A pairing one_hbond 
+B268-B308 : G-C Ww/Ww pairing antiparallel cis XIX 
+B269-B307 : A-U Ww/Ww pairing antiparallel cis XX 
+B270-B306 : C-G Ww/Ww pairing antiparallel cis XIX 
+B271-B305 : C-G Ww/Ww pairing antiparallel cis XIX 
+B272-B303 : G-U Ww/O2P pairing 
+B272-B304 : G-A Ss/Hh O2'/Bh pairing antiparallel trans XI 
+B273-B303 : A-U Hh/Ws pairing antiparallel trans XXIV 
+B274-B302 : U-G Hw/Ww pairing antiparallel trans one_hbond 91 
+B275-B301 : G-A Hw/Wh pairing antiparallel cis one_hbond 64 
+B276-B300 : G-G Ww/Bh pairing antiparallel trans one_hbond 
+B277-B299 : U-A Ws/Hh pairing antiparallel trans XXIV 
+B278-B298 : A-G Hh/Ss Bh/O2' pairing antiparallel trans XI 
+B279-B297 : G-C Ww/Ww pairing antiparallel cis XIX 
+B280-B296 : U-G Ws/Ww pairing antiparallel cis XXVIII 
+B281-B295 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+B282-B294 : U-A Ww/Ww pairing antiparallel cis XX 
+B283-B285 : C-U Hh/O2P pairing 
+B283-B293 : C-G Ww/Ww pairing antiparallel cis XIX 
+B284-B291 : U-C O2'/Bh pairing 
+B291-B292 : C-G O2P/Bs adjacent_5p pairing 
+Residue conformations -------------------------------------------
+B267 : G C3p_exo syn
+B268 : G C3p_endo anti
+B269 : A C3p_endo anti
+B270 : C C3p_endo anti
+B271 : C C3p_endo anti
+B272 : G C2p_exo anti
+B273 : A C3p_endo anti
+B274 : U C4p_exo anti
+B275 : G C3p_endo anti
+B276 : G C3p_endo anti
+B277 : U C3p_endo anti
+B278 : A C3p_endo anti
+B279 : G C3p_endo anti
+B280 : U C3p_endo anti
+B281 : G C2p_exo anti
+B282 : U C3p_endo anti
+B283 : C C3p_endo anti
+B284 : U C3p_endo anti
+B285 : U C2p_endo anti
+B291 : C C3p_exo anti
+B292 : G C2p_exo anti
+B293 : G C3p_endo anti
+B294 : A C3p_endo anti
+B295 : U C3p_endo anti
+B296 : G C2p_exo anti
+B297 : C C3p_endo anti
+B298 : G C3p_endo anti
+B299 : A C2p_exo anti
+B300 : G C3p_endo anti
+B301 : A C3p_endo anti
+B302 : G C3p_endo anti
+B303 : U C3p_endo anti
+B304 : A C3p_endo anti
+B305 : G C3p_endo anti
+B306 : G C3p_endo anti
+B307 : U C3p_endo anti
+B308 : C C3p_endo anti
+A1 : MET
+A2 : PHE
+A3 : THR
+A4 : ILE
+A5 : ASN
+A6 : ALA
+A7 : GLU
+A8 : VAL
+A9 : ARG
+A10 : LYS
+A11 : GLU
+A12 : GLN
+A13 : GLY
+A14 : LYS
+A15 : GLY
+A16 : ALA
+A17 : SER
+A18 : ARG
+A19 : ARG
+A20 : LEU
+A21 : ARG
+A22 : ALA
+A23 : ALA
+A24 : ASN
+A25 : LYS
+A26 : PHE
+A27 : PRO
+A28 : ALA
+A29 : ILE
+A30 : ILE
+A31 : TYR
+A32 : GLY
+A33 : GLY
+A34 : LYS
+A35 : GLU
+A36 : ALA
+A37 : PRO
+A38 : LEU
+A39 : ALA
+A40 : ILE
+A41 : GLU
+A42 : LEU
+A43 : ASP
+A44 : HIS
+A45 : ASP
+A46 : LYS
+A47 : VAL
+A48 : MET
+A49 : ASN
+A50 : MET
+A51 : GLN
+A52 : ALA
+A53 : LYS
+A54 : ALA
+A55 : GLU
+A56 : PHE
+A57 : TYR
+A58 : SER
+A59 : GLU
+A60 : VAL
+A61 : LEU
+A62 : THR
+A63 : ILE
+A64 : VAL
+A65 : VAL
+A66 : ASP
+A67 : GLY
+A68 : LYS
+A69 : GLU
+A70 : ILE
+A71 : LYS
+A72 : VAL
+A73 : LYS
+A74 : ALA
+A75 : GLN
+A76 : ASP
+A77 : VAL
+A78 : GLN
+A79 : ARG
+A80 : HIS
+A81 : PRO
+A82 : TYR
+A83 : LYS
+A84 : PRO
+A85 : LYS
+A86 : LEU
+A87 : GLN
+A88 : HIS
+A89 : ILE
+A90 : ASP
+A91 : PHE
+A92 : VAL
+A93 : ARG
+A94 : ALA
+Adjacent stackings ----------------------------------------------
+B268-B269 : adjacent_5p upward 
+B269-B270 : adjacent_5p upward 
+B270-B271 : adjacent_5p upward 
+B271-B272 : adjacent_5p upward 
+B273-B274 : adjacent_5p upward 
+B274-B275 : adjacent_5p upward 
+B275-B276 : adjacent_5p upward 
+B276-B277 : adjacent_5p upward 
+B277-B278 : adjacent_5p upward 
+B278-B279 : adjacent_5p upward 
+B279-B280 : adjacent_5p upward 
+B281-B282 : adjacent_5p upward 
+B282-B283 : adjacent_5p upward 
+B283-B284 : adjacent_5p upward 
+B291-B292 : adjacent_5p downward 
+B293-B294 : adjacent_5p upward 
+B294-B295 : adjacent_5p upward 
+B296-B297 : adjacent_5p upward 
+B299-B300 : adjacent_5p upward 
+B300-B301 : adjacent_5p upward 
+B301-B302 : adjacent_5p upward 
+B302-B303 : adjacent_5p upward 
+B303-B304 : adjacent_5p upward 
+B304-B305 : adjacent_5p upward 
+B305-B306 : adjacent_5p upward 
+B306-B307 : adjacent_5p upward 
+B307-B308 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+B273-B304 : outward 
+B278-B299 : outward 
+B281-B296 : outward 
+Number of stackings = 30
+Number of adjacent stackings = 27
+Number of non adjacent stackings = 3
+Base-pairs ------------------------------------------------------
+A14-B279 : LYS-G pairing one_hbond 
+A31-B273 : TYR-A pairing one_hbond 
+B268-B308 : G-C Ww/Ww pairing antiparallel cis XIX 
+B269-B307 : A-U Ww/Ww pairing antiparallel cis XX 
+B270-B306 : C-G Ww/Ww pairing antiparallel cis XIX 
+B271-B305 : C-G Ww/Ww pairing antiparallel cis XIX 
+B272-B304 : G-A Ss/Hh pairing antiparallel trans XI 
+B273-B303 : A-U Hh/Ws pairing antiparallel trans XXIV 
+B276-B300 : G-G Ww/Bh pairing antiparallel trans 115 
+B277-B299 : U-A Ws/Hh pairing antiparallel trans XXIV 
+B278-B298 : A-G Hh/Ss Bh/O2' pairing antiparallel trans XI 
+B279-B297 : G-C Ww/Ww pairing antiparallel cis XIX 
+B280-B296 : U-G Ws/Ww pairing antiparallel cis XXVIII 
+B281-B295 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+B282-B294 : U-A Ww/Ww pairing antiparallel cis XX 
+B283-B293 : C-G Ww/Ww pairing antiparallel cis XIX 
diff --git a/MCdata/1ddl_MC b/MCdata/1ddl_MC
new file mode 100644
index 0000000000000000000000000000000000000000..d39790cabab5c2b513741df9706866cfe69b1eb2
--- /dev/null
+++ b/MCdata/1ddl_MC
@@ -0,0 +1,854 @@
+Residue conformations -------------------------------------------
+D1 : U C3p_endo anti
+D2 : U C3p_endo anti
+D3 : U C3p_endo anti
+D4 : U C3p_endo anti
+D5 : U C3p_endo anti
+D6 : U C3p_endo anti
+D7 : U C3p_endo anti
+E1 : U C3p_endo anti
+E2 : U C4p_exo anti
+A1 : MET
+A2 : GLU
+A3 : GLN
+A4 : ASP
+A5 : LYS
+A6 : ILE
+A7 : LEU
+A8 : ALA
+A9 : HIS
+A10 : GLN
+A11 : ALA
+A12 : SER
+A13 : LEU
+A14 : ASN
+A15 : THR
+A16 : LYS
+A17 : PRO
+A18 : SER
+A19 : LEU
+A20 : LEU
+A21 : PRO
+A22 : PRO
+A23 : PRO
+A24 : VAL
+A25 : GLY
+A26 : ASN
+A27 : PRO
+A28 : PRO
+A29 : PRO
+A30 : VAL
+A31 : ILE
+A32 : SER
+A33 : TYR
+A34 : PRO
+A35 : PHE
+A36 : GLN
+A37 : ILE
+A38 : THR
+A39 : LEU
+A40 : ALA
+A41 : SER
+A42 : LEU
+A43 : GLY
+A44 : THR
+A45 : GLU
+A46 : ASP
+A47 : ALA
+A48 : ALA
+A49 : ASP
+A50 : SER
+A51 : VAL
+A52 : SER
+A53 : ILE
+A54 : ALA
+A55 : SER
+A56 : ASN
+A57 : SER
+A58 : VAL
+A59 : LEU
+A60 : ALA
+A61 : THR
+A62 : TYR
+A63 : THR
+A64 : ALA
+A65 : LEU
+A66 : TYR
+A67 : ARG
+A68 : HIS
+A69 : ALA
+A70 : GLN
+A71 : LEU
+A72 : LYS
+A73 : HIS
+A74 : LEU
+A75 : LYS
+A76 : ALA
+A77 : THR
+A78 : ILE
+A79 : HIS
+A80 : PRO
+A81 : THR
+A82 : TYR
+A83 : MET
+A84 : ALA
+A85 : PRO
+A86 : LYS
+A87 : TYR
+A88 : PRO
+A89 : THR
+A90 : SER
+A91 : VAL
+A92 : ALA
+A93 : LEU
+A94 : VAL
+A95 : TRP
+A96 : VAL
+A97 : PRO
+A98 : ALA
+A99 : ASN
+A100 : SER
+A101 : THR
+A102 : ALA
+A103 : THR
+A104 : SER
+A105 : THR
+A106 : GLN
+A107 : VAL
+A108 : LEU
+A109 : ASP
+A110 : THR
+A111 : TYR
+A112 : GLY
+A113 : GLY
+A114 : LEU
+A115 : HIS
+A116 : PHE
+A117 : CYS
+A118 : ILE
+A119 : GLY
+A120 : GLY
+A121 : SER
+A122 : VAL
+A123 : ASN
+A124 : SER
+A125 : VAL
+A126 : LYS
+A127 : PRO
+A128 : ILE
+A129 : ASP
+A130 : VAL
+A131 : GLU
+A132 : ALA
+A133 : ASN
+A134 : LEU
+A135 : THR
+A136 : ASN
+A137 : LEU
+A138 : ASN
+A139 : PRO
+A140 : ILE
+A141 : ILE
+A142 : LYS
+A143 : ALA
+A144 : SER
+A145 : THR
+A146 : THR
+A147 : PHE
+A148 : THR
+A149 : ASP
+A150 : THR
+A151 : PRO
+A152 : LYS
+A153 : LEU
+A154 : LEU
+A155 : TYR
+A156 : TYR
+A157 : SER
+A158 : LYS
+A159 : ALA
+A160 : GLN
+A161 : ALA
+A162 : THR
+A163 : ALA
+A164 : PRO
+A165 : THR
+A166 : SER
+A167 : PRO
+A168 : THR
+A169 : CYS
+A170 : TYR
+A171 : LEU
+A172 : THR
+A173 : ILE
+A174 : GLN
+A175 : GLY
+A176 : GLN
+A177 : ILE
+A178 : GLU
+A179 : LEU
+A180 : SER
+A181 : SER
+A182 : PRO
+A183 : LEU
+A184 : LEU
+A185 : GLN
+A186 : ALA
+A187 : SER
+A188 : SER
+B1 : MET
+B2 : GLU
+B3 : GLN
+B4 : ASP
+B5 : LYS
+B6 : ILE
+B7 : LEU
+B8 : ALA
+B9 : HIS
+B10 : GLN
+B11 : ALA
+B12 : SER
+B13 : LEU
+B14 : ASN
+B15 : THR
+B16 : LYS
+B17 : PRO
+B18 : SER
+B19 : LEU
+B20 : LEU
+B21 : PRO
+B22 : PRO
+B23 : PRO
+B24 : VAL
+B25 : GLY
+B26 : ASN
+B27 : PRO
+B28 : PRO
+B29 : PRO
+B30 : VAL
+B31 : ILE
+B32 : SER
+B33 : TYR
+B34 : PRO
+B35 : PHE
+B36 : GLN
+B37 : ILE
+B38 : THR
+B39 : LEU
+B40 : ALA
+B41 : SER
+B42 : LEU
+B43 : GLY
+B44 : THR
+B45 : GLU
+B46 : ASP
+B47 : ALA
+B48 : ALA
+B49 : ASP
+B50 : SER
+B51 : VAL
+B52 : SER
+B53 : ILE
+B54 : ALA
+B55 : SER
+B56 : ASN
+B57 : SER
+B58 : VAL
+B59 : LEU
+B60 : ALA
+B61 : THR
+B62 : TYR
+B63 : THR
+B64 : ALA
+B65 : LEU
+B66 : TYR
+B67 : ARG
+B68 : HIS
+B69 : ALA
+B70 : GLN
+B71 : LEU
+B72 : LYS
+B73 : HIS
+B74 : LEU
+B75 : LYS
+B76 : ALA
+B77 : THR
+B78 : ILE
+B79 : HIS
+B80 : PRO
+B81 : THR
+B82 : TYR
+B83 : MET
+B84 : ALA
+B85 : PRO
+B86 : LYS
+B87 : TYR
+B88 : PRO
+B89 : THR
+B90 : SER
+B91 : VAL
+B92 : ALA
+B93 : LEU
+B94 : VAL
+B95 : TRP
+B96 : VAL
+B97 : PRO
+B98 : ALA
+B99 : ASN
+B100 : SER
+B101 : THR
+B102 : ALA
+B103 : THR
+B104 : SER
+B105 : THR
+B106 : GLN
+B107 : VAL
+B108 : LEU
+B109 : ASP
+B110 : THR
+B111 : TYR
+B112 : GLY
+B113 : GLY
+B114 : LEU
+B115 : HIS
+B116 : PHE
+B117 : CYS
+B118 : ILE
+B119 : GLY
+B120 : GLY
+B121 : SER
+B122 : VAL
+B123 : ASN
+B124 : SER
+B125 : VAL
+B126 : LYS
+B127 : PRO
+B128 : ILE
+B129 : ASP
+B130 : VAL
+B131 : GLU
+B132 : ALA
+B133 : ASN
+B134 : LEU
+B135 : THR
+B136 : ASN
+B137 : LEU
+B138 : ASN
+B139 : PRO
+B140 : ILE
+B141 : ILE
+B142 : LYS
+B143 : ALA
+B144 : SER
+B145 : THR
+B146 : THR
+B147 : PHE
+B148 : THR
+B149 : ASP
+B150 : THR
+B151 : PRO
+B152 : LYS
+B153 : LEU
+B154 : LEU
+B155 : TYR
+B156 : TYR
+B157 : SER
+B158 : LYS
+B159 : ALA
+B160 : GLN
+B161 : ALA
+B162 : THR
+B163 : ALA
+B164 : PRO
+B165 : THR
+B166 : SER
+B167 : PRO
+B168 : THR
+B169 : CYS
+B170 : TYR
+B171 : LEU
+B172 : THR
+B173 : ILE
+B174 : GLN
+B175 : GLY
+B176 : GLN
+B177 : ILE
+B178 : GLU
+B179 : LEU
+B180 : SER
+B181 : SER
+B182 : PRO
+B183 : LEU
+B184 : LEU
+B185 : GLN
+B186 : ALA
+B187 : SER
+B188 : SER
+C14 : ASN
+C15 : THR
+C16 : LYS
+C17 : PRO
+C18 : SER
+C19 : LEU
+C20 : LEU
+C21 : PRO
+C22 : PRO
+C23 : PRO
+C24 : VAL
+C25 : GLY
+C26 : ASN
+C27 : PRO
+C28 : PRO
+C29 : PRO
+C30 : VAL
+C31 : ILE
+C32 : SER
+C33 : TYR
+C34 : PRO
+C35 : PHE
+C36 : GLN
+C37 : ILE
+C38 : THR
+C39 : LEU
+C40 : ALA
+C41 : SER
+C42 : LEU
+C43 : GLY
+C44 : THR
+C45 : GLU
+C46 : ASP
+C47 : ALA
+C48 : ALA
+C49 : ASP
+C50 : SER
+C51 : VAL
+C52 : SER
+C53 : ILE
+C54 : ALA
+C55 : SER
+C56 : ASN
+C57 : SER
+C58 : VAL
+C59 : LEU
+C60 : ALA
+C61 : THR
+C62 : TYR
+C63 : THR
+C64 : ALA
+C65 : LEU
+C66 : TYR
+C67 : ARG
+C68 : HIS
+C69 : ALA
+C70 : GLN
+C71 : LEU
+C72 : LYS
+C73 : HIS
+C74 : LEU
+C75 : LYS
+C76 : ALA
+C77 : THR
+C78 : ILE
+C79 : HIS
+C80 : PRO
+C81 : THR
+C82 : TYR
+C83 : MET
+C84 : ALA
+C85 : PRO
+C86 : LYS
+C87 : TYR
+C88 : PRO
+C89 : THR
+C90 : SER
+C91 : VAL
+C92 : ALA
+C93 : LEU
+C94 : VAL
+C95 : TRP
+C96 : VAL
+C97 : PRO
+C98 : ALA
+C99 : ASN
+C100 : SER
+C101 : THR
+C102 : ALA
+C103 : THR
+C104 : SER
+C105 : THR
+C106 : GLN
+C107 : VAL
+C108 : LEU
+C109 : ASP
+C110 : THR
+C111 : TYR
+C112 : GLY
+C113 : GLY
+C114 : LEU
+C115 : HIS
+C116 : PHE
+C117 : CYS
+C118 : ILE
+C119 : GLY
+C120 : GLY
+C121 : SER
+C122 : VAL
+C123 : ASN
+C124 : SER
+C125 : VAL
+C126 : LYS
+C127 : PRO
+C128 : ILE
+C129 : ASP
+C130 : VAL
+C131 : GLU
+C132 : ALA
+C133 : ASN
+C134 : LEU
+C135 : THR
+C136 : ASN
+C137 : LEU
+C138 : ASN
+C139 : PRO
+C140 : ILE
+C141 : ILE
+C142 : LYS
+C143 : ALA
+C144 : SER
+C145 : THR
+C146 : THR
+C147 : PHE
+C148 : THR
+C149 : ASP
+C150 : THR
+C151 : PRO
+C152 : LYS
+C153 : LEU
+C154 : LEU
+C155 : TYR
+C156 : TYR
+C157 : SER
+C158 : LYS
+C159 : ALA
+C160 : GLN
+C161 : ALA
+C162 : THR
+C163 : ALA
+C164 : PRO
+C165 : THR
+C166 : SER
+C167 : PRO
+C168 : THR
+C169 : CYS
+C170 : TYR
+C171 : LEU
+C172 : THR
+C173 : ILE
+C174 : GLN
+C175 : GLY
+C176 : GLN
+C177 : ILE
+C178 : GLU
+C179 : LEU
+C180 : SER
+C181 : SER
+C182 : PRO
+C183 : LEU
+C184 : LEU
+C185 : GLN
+C186 : ALA
+C187 : SER
+C188 : SER
+E2801 : HOH
+A2002 : HOH
+A2003 : HOH
+A2101 : HOH
+A2102 : HOH
+A2103 : HOH
+A2104 : HOH
+A2105 : HOH
+A2106 : HOH
+A2107 : HOH
+A2108 : HOH
+A2109 : HOH
+A2110 : HOH
+A2111 : HOH
+A2112 : HOH
+A2113 : HOH
+A2114 : HOH
+A2115 : HOH
+A2116 : HOH
+A2117 : HOH
+A2118 : HOH
+A2119 : HOH
+A2120 : HOH
+A2121 : HOH
+A2122 : HOH
+A2123 : HOH
+A2124 : HOH
+A2125 : HOH
+A2126 : HOH
+A2127 : HOH
+A2128 : HOH
+A2129 : HOH
+A2130 : HOH
+A2131 : HOH
+A2132 : HOH
+A2133 : HOH
+A2134 : HOH
+A2135 : HOH
+A2136 : HOH
+A2137 : HOH
+A2138 : HOH
+A2139 : HOH
+A2140 : HOH
+A2141 : HOH
+A2142 : HOH
+A2143 : HOH
+A2144 : HOH
+A2145 : HOH
+A2146 : HOH
+A2147 : HOH
+A2148 : HOH
+A2149 : HOH
+A2150 : HOH
+A2151 : HOH
+A2152 : HOH
+A2153 : HOH
+A2154 : HOH
+A2155 : HOH
+A2156 : HOH
+A2157 : HOH
+A2158 : HOH
+A2159 : HOH
+A2160 : HOH
+A2161 : HOH
+A2162 : HOH
+A2163 : HOH
+A2164 : HOH
+A2165 : HOH
+A2167 : HOH
+A2168 : HOH
+A2169 : HOH
+A2170 : HOH
+A2171 : HOH
+A2172 : HOH
+A2173 : HOH
+A2174 : HOH
+A2175 : HOH
+A2176 : HOH
+A2177 : HOH
+A2178 : HOH
+A2179 : HOH
+A2180 : HOH
+A2181 : HOH
+A2182 : HOH
+A2183 : HOH
+A2184 : HOH
+A2185 : HOH
+A2241 : HOH
+A2258 : HOH
+A2260 : HOH
+A2268 : HOH
+A2403 : HOH
+A2404 : HOH
+A2405 : HOH
+A2406 : HOH
+A2407 : HOH
+A2408 : HOH
+A2409 : HOH
+A2415 : HOH
+A2416 : HOH
+A2419 : HOH
+A2420 : HOH
+A2421 : HOH
+A2501 : HOH
+A2502 : HOH
+A2802 : HOH
+A2803 : HOH
+B2001 : HOH
+B2004 : HOH
+B2166 : HOH
+B2201 : HOH
+B2202 : HOH
+B2203 : HOH
+B2204 : HOH
+B2205 : HOH
+B2206 : HOH
+B2207 : HOH
+B2208 : HOH
+B2209 : HOH
+B2210 : HOH
+B2211 : HOH
+B2212 : HOH
+B2213 : HOH
+B2214 : HOH
+B2215 : HOH
+B2216 : HOH
+B2217 : HOH
+B2218 : HOH
+B2219 : HOH
+B2220 : HOH
+B2221 : HOH
+B2222 : HOH
+B2223 : HOH
+B2224 : HOH
+B2225 : HOH
+B2226 : HOH
+B2227 : HOH
+B2228 : HOH
+B2229 : HOH
+B2230 : HOH
+B2231 : HOH
+B2232 : HOH
+B2233 : HOH
+B2234 : HOH
+B2235 : HOH
+B2236 : HOH
+B2237 : HOH
+B2238 : HOH
+B2239 : HOH
+B2240 : HOH
+B2242 : HOH
+B2243 : HOH
+B2244 : HOH
+B2245 : HOH
+B2246 : HOH
+B2247 : HOH
+B2248 : HOH
+B2249 : HOH
+B2250 : HOH
+B2251 : HOH
+B2252 : HOH
+B2253 : HOH
+B2254 : HOH
+B2255 : HOH
+B2256 : HOH
+B2257 : HOH
+B2259 : HOH
+B2261 : HOH
+B2262 : HOH
+B2263 : HOH
+B2264 : HOH
+B2266 : HOH
+B2267 : HOH
+B2269 : HOH
+B2270 : HOH
+B2271 : HOH
+B2360 : HOH
+B2401 : HOH
+B2402 : HOH
+B2410 : HOH
+B2411 : HOH
+B2412 : HOH
+B2413 : HOH
+B2414 : HOH
+B2417 : HOH
+B2601 : HOH
+B2603 : HOH
+B2604 : HOH
+B2606 : HOH
+B2607 : HOH
+B2608 : HOH
+B2609 : HOH
+B2610 : HOH
+B2611 : HOH
+B2612 : HOH
+B2615 : HOH
+B2616 : HOH
+B2617 : HOH
+B2618 : HOH
+B2619 : HOH
+C2005 : HOH
+C2006 : HOH
+C2265 : HOH
+C2301 : HOH
+C2302 : HOH
+C2303 : HOH
+C2304 : HOH
+C2305 : HOH
+C2306 : HOH
+C2307 : HOH
+C2308 : HOH
+C2309 : HOH
+C2310 : HOH
+C2311 : HOH
+C2312 : HOH
+C2313 : HOH
+C2314 : HOH
+C2315 : HOH
+C2316 : HOH
+C2317 : HOH
+C2318 : HOH
+C2319 : HOH
+C2320 : HOH
+C2321 : HOH
+C2322 : HOH
+C2323 : HOH
+C2324 : HOH
+C2325 : HOH
+C2326 : HOH
+C2327 : HOH
+C2328 : HOH
+C2329 : HOH
+C2330 : HOH
+C2331 : HOH
+C2332 : HOH
+C2333 : HOH
+C2334 : HOH
+C2335 : HOH
+C2336 : HOH
+C2337 : HOH
+C2338 : HOH
+C2339 : HOH
+C2340 : HOH
+C2341 : HOH
+C2342 : HOH
+C2343 : HOH
+C2344 : HOH
+C2345 : HOH
+C2346 : HOH
+C2347 : HOH
+C2348 : HOH
+C2349 : HOH
+C2350 : HOH
+C2351 : HOH
+C2352 : HOH
+C2353 : HOH
+C2354 : HOH
+C2355 : HOH
+C2356 : HOH
+C2357 : HOH
+C2358 : HOH
+C2359 : HOH
+C2361 : HOH
+C2362 : HOH
+C2363 : HOH
+C2364 : HOH
+C2365 : HOH
+C2366 : HOH
+C2367 : HOH
+C2368 : HOH
+C2369 : HOH
+C2418 : HOH
+C2503 : HOH
+C2504 : HOH
+C2602 : HOH
+C2605 : HOH
+C2613 : HOH
+C2614 : HOH
+C2620 : HOH
+C2621 : HOH
+C2701 : HOH
+C2702 : HOH
+C2703 : HOH
+C2704 : HOH
+C2901 : HOH
+Adjacent stackings ----------------------------------------------
+D5-D6 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 1
+Number of adjacent stackings = 1
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+D1-D2 : U-U Ww/O2' adjacent_5p pairing 
diff --git a/MCdata/1ddy_MC b/MCdata/1ddy_MC
new file mode 100644
index 0000000000000000000000000000000000000000..7eb8a6bf3eed18d663fa185a50a64a6a0bab24f1
--- /dev/null
+++ b/MCdata/1ddy_MC
@@ -0,0 +1,319 @@
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C2p_exo anti
+A3 : A C3p_endo anti
+A4 : A C4p_exo anti
+A5 : C C3p_endo anti
+A6 : C C3p_endo anti
+A7 : G C3p_endo anti
+A8 : G C3p_endo anti
+A9 : U C3p_endo anti
+A10 : G C3p_endo anti
+A11 : C C4p_exo anti
+A12 : G C3p_endo anti
+A13 : C C3p_endo anti
+A14 : A C2p_endo anti
+A15 : U C1p_exo syn
+A16 : A C3p_endo anti
+A17 : A C3p_endo anti
+A18 : C C3p_endo anti
+A19 : C C3p_endo anti
+A20 : A C3p_endo anti
+A21 : C C3p_endo anti
+A22 : C C1p_exo anti
+A23 : U C2p_endo anti
+A24 : C C2p_endo anti
+A25 : A C3p_endo anti
+A26 : G C2p_endo syn
+A27 : U C2p_endo anti
+A28 : G C3p_endo anti
+A29 : C C3p_endo anti
+A30 : G C2p_endo anti
+A31 : A C3p_endo anti
+A32 : G C3p_endo anti
+A33 : C C3p_endo anti
+A34 : A C3p_endo anti
+A35 : A C3p_endo anti
+C201 : G C3p_endo anti
+C202 : G C3p_endo anti
+C203 : A C3p_endo anti
+C204 : A C3p_endo anti
+C205 : C C3p_endo anti
+C206 : C C3p_endo anti
+C207 : G C3p_endo anti
+C208 : G C3p_endo anti
+C209 : U C3p_endo anti
+C210 : G C3p_endo anti
+C211 : C C4p_exo anti
+C212 : G C3p_endo anti
+C213 : C C3p_endo anti
+C214 : A C2p_endo anti
+C215 : U C2p_endo syn
+C216 : A C3p_endo anti
+C217 : A C3p_endo anti
+C218 : C C3p_endo anti
+C219 : C C3p_endo anti
+C220 : A C3p_endo anti
+C221 : C C3p_endo anti
+C222 : C C2p_endo anti
+C223 : U C2p_endo anti
+C224 : C C4p_exo anti
+C225 : A C3p_endo anti
+C226 : G C2p_endo syn
+C227 : U C2p_endo anti
+C228 : G C3p_endo anti
+C229 : C C3p_endo anti
+C230 : G C2p_endo anti
+C231 : A C3p_endo anti
+C232 : G C3p_endo anti
+C233 : C C3p_endo anti
+C234 : A C3p_endo anti
+C235 : A C3p_endo anti
+E401 : G C3p_endo anti
+E402 : G C3p_endo anti
+E403 : A C2p_exo anti
+E404 : A C3p_endo anti
+E405 : C C3p_endo anti
+E406 : C C3p_endo anti
+E407 : G C3p_endo anti
+E408 : G C3p_endo anti
+E409 : U C3p_endo anti
+E410 : G C3p_endo anti
+E411 : C O4p_endo anti
+E412 : G C3p_endo anti
+E413 : C C3p_endo anti
+E414 : A C2p_endo anti
+E415 : U C2p_endo syn
+E416 : A C2p_exo anti
+E417 : A C3p_endo anti
+E418 : C C3p_endo anti
+E419 : C C3p_endo anti
+E420 : A C3p_endo anti
+E421 : C C3p_endo anti
+E422 : C C2p_endo anti
+E423 : U C2p_endo anti
+E424 : C C2p_endo anti
+E425 : A C3p_endo anti
+E426 : G C2p_endo syn
+E427 : U C2p_endo anti
+E428 : G C3p_endo anti
+E429 : C C3p_endo anti
+E430 : G C2p_endo anti
+E431 : A C3p_endo anti
+E432 : G C3p_endo anti
+E433 : C C3p_endo anti
+E434 : A C3p_endo anti
+E435 : A C3p_endo anti
+G601 : G C3p_endo anti
+G602 : G C3p_endo anti
+G603 : A C3p_endo anti
+G604 : A C3p_endo anti
+G605 : C C3p_endo anti
+G606 : C C3p_endo anti
+G607 : G C3p_endo anti
+G608 : G C3p_endo anti
+G609 : U C3p_endo anti
+G610 : G C3p_endo anti
+G611 : C C4p_exo anti
+G612 : G C3p_endo anti
+G613 : C C3p_endo anti
+G614 : A C2p_endo anti
+G615 : U C2p_endo syn
+G616 : A C3p_endo anti
+G617 : A C3p_endo anti
+G618 : C C3p_endo anti
+G619 : C C3p_endo anti
+G620 : A C3p_endo anti
+G621 : C C3p_endo anti
+G622 : C C2p_endo anti
+G623 : U C1p_exo anti
+G624 : C C2p_endo anti
+G625 : A C4p_exo anti
+G626 : G C2p_endo syn
+G627 : U C2p_endo anti
+G628 : G C3p_endo anti
+G629 : C C3p_endo anti
+G630 : G C2p_endo anti
+G631 : A C3p_endo anti
+G632 : G C3p_endo anti
+G633 : C C3p_endo anti
+G634 : A C3p_endo anti
+G635 : A C3p_endo anti
+A101 : B12
+C301 : B12
+E501 : B12
+G701 : B12
+A102 : NME
+C302 : NME
+E502 : NME
+G702 : NME
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A13-A14 : adjacent_5p inward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+A21-A22 : adjacent_5p upward 
+A28-A29 : adjacent_5p upward 
+A29-A30 : adjacent_5p inward 
+A31-A32 : adjacent_5p upward 
+A32-A33 : adjacent_5p upward 
+A33-A34 : adjacent_5p upward 
+A34-A35 : adjacent_5p upward 
+C201-C202 : adjacent_5p upward 
+C202-C203 : adjacent_5p upward 
+C203-C204 : adjacent_5p upward 
+C204-C205 : adjacent_5p upward 
+C206-C207 : adjacent_5p upward 
+C207-C208 : adjacent_5p upward 
+C208-C209 : adjacent_5p upward 
+C212-C213 : adjacent_5p upward 
+C213-C214 : adjacent_5p inward 
+C216-C217 : adjacent_5p upward 
+C217-C218 : adjacent_5p upward 
+C218-C219 : adjacent_5p upward 
+C219-C220 : adjacent_5p upward 
+C220-C221 : adjacent_5p upward 
+C228-C229 : adjacent_5p upward 
+C229-C230 : adjacent_5p inward 
+C231-C232 : adjacent_5p upward 
+C232-C233 : adjacent_5p upward 
+C233-C234 : adjacent_5p upward 
+C234-C235 : adjacent_5p upward 
+E401-E402 : adjacent_5p upward 
+E402-E403 : adjacent_5p upward 
+E403-E404 : adjacent_5p upward 
+E404-E405 : adjacent_5p upward 
+E405-E406 : adjacent_5p upward 
+E407-E408 : adjacent_5p upward 
+E408-E409 : adjacent_5p upward 
+E412-E413 : adjacent_5p upward 
+E413-E414 : adjacent_5p inward 
+E416-E417 : adjacent_5p upward 
+E417-E418 : adjacent_5p upward 
+E418-E419 : adjacent_5p upward 
+E419-E420 : adjacent_5p upward 
+E420-E421 : adjacent_5p upward 
+E421-E422 : adjacent_5p upward 
+E428-E429 : adjacent_5p upward 
+E429-E430 : adjacent_5p inward 
+E431-E432 : adjacent_5p upward 
+E432-E433 : adjacent_5p upward 
+E433-E434 : adjacent_5p upward 
+E434-E435 : adjacent_5p upward 
+G601-G602 : adjacent_5p upward 
+G602-G603 : adjacent_5p upward 
+G603-G604 : adjacent_5p upward 
+G604-G605 : adjacent_5p upward 
+G607-G608 : adjacent_5p upward 
+G608-G609 : adjacent_5p upward 
+G612-G613 : adjacent_5p upward 
+G613-G614 : adjacent_5p inward 
+G616-G617 : adjacent_5p upward 
+G617-G618 : adjacent_5p upward 
+G618-G619 : adjacent_5p upward 
+G619-G620 : adjacent_5p upward 
+G620-G621 : adjacent_5p upward 
+G621-G622 : adjacent_5p upward 
+G628-G629 : adjacent_5p upward 
+G629-G630 : adjacent_5p inward 
+G631-G632 : adjacent_5p upward 
+G632-G633 : adjacent_5p upward 
+G633-G634 : adjacent_5p upward 
+G634-G635 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A10-A15 : inward 
+A10-A26 : downward 
+A11-A15 : outward 
+A12-A34 : outward 
+A20-A26 : outward 
+A23-A25 : outward 
+C210-C215 : inward 
+C210-C226 : downward 
+C211-C215 : outward 
+C212-C234 : outward 
+C220-C226 : outward 
+C223-C225 : outward 
+E410-E415 : inward 
+E410-E426 : downward 
+E411-E415 : outward 
+E420-E426 : outward 
+E423-E425 : outward 
+G610-G615 : inward 
+G610-G626 : downward 
+G611-G615 : outward 
+G612-G634 : outward 
+G620-G626 : outward 
+G623-G625 : outward 
+Number of stackings = 104
+Number of adjacent stackings = 81
+Number of non adjacent stackings = 23
+Base-pairs ------------------------------------------------------
+A7-A22 : G-C Ww/Ww pairing antiparallel cis XIX 
+A8-A21 : G-C Ww/Ww pairing antiparallel cis XIX 
+A8-A25 : G-A O2'/Ww pairing 
+A9-A20 : U-A Ww/Ww pairing antiparallel cis XX 
+A10-A28 : G-G Ww/Hh pairing parallel cis VI 
+A11-A30 : C-G Ww/Ww pairing antiparallel cis XIX 
+A12-A33 : G-C Ww/Ww pairing antiparallel cis XIX 
+A13-A32 : C-G Ww/Ww pairing antiparallel cis XIX 
+A14-A31 : A-A Ww/Ww pairing parallel trans I 
+A15-A27 : U-U Hh/Ww pairing antiparallel trans 81 
+A15-A29 : U-C Wh/Wh pairing antiparallel cis one_hbond 
+A17-A29 : A-C Wh/Ws pairing antiparallel cis one_hbond 78 
+A18-A28 : C-G Ww/Ww pairing antiparallel cis XIX 
+A19-A26 : C-G Ww/Ww pairing antiparallel cis XIX 
+C207-C222 : G-C Ww/Ww pairing antiparallel cis XIX 
+C208-C221 : G-C Ww/Ww pairing antiparallel cis XIX 
+C208-C225 : G-A O2'/Ww pairing 
+C209-C220 : U-A Ww/Ww pairing antiparallel cis XX 
+C210-C228 : G-G Ww/Hh pairing parallel cis VI 
+C211-C230 : C-G Ww/Ww pairing antiparallel cis XIX 
+C212-C233 : G-C Ww/Ww pairing antiparallel cis XIX 
+C213-C232 : C-G Ww/Ww pairing antiparallel cis XIX 
+C214-C231 : A-A Ww/Ww pairing parallel trans I 
+C215-C227 : U-U Hh/Ww pairing antiparallel trans 81 
+C215-C229 : U-C Wh/Wh pairing antiparallel cis one_hbond 
+C217-C229 : A-C Wh/Ws pairing antiparallel cis one_hbond 78 
+C218-C228 : C-G Ww/Ww pairing antiparallel cis XIX 
+C219-C226 : C-G Ww/Ww pairing antiparallel cis XIX 
+E407-E422 : G-C Ww/Ww pairing antiparallel cis XIX 
+E408-E421 : G-C Ww/Ww pairing antiparallel cis XIX 
+E408-E425 : G-A O2'/Ww pairing 
+E409-E420 : U-A Ww/Ww pairing antiparallel cis XX 
+E410-E418 : G-C Wh/Wh pairing antiparallel cis one_hbond 
+E410-E428 : G-G Ww/Hh pairing parallel cis VI 
+E411-E413 : C-C O2'/Bh pairing 
+E411-E430 : C-G Ww/Ww pairing antiparallel cis XIX 
+E412-E433 : G-C Ww/Ww pairing antiparallel cis XIX 
+E413-E432 : C-G Ww/Ww pairing antiparallel cis XIX 
+E414-E431 : A-A Ww/Ww pairing parallel trans I 
+E415-E427 : U-U Hh/Ww pairing antiparallel trans 81 
+E415-E429 : U-C Wh/Wh pairing antiparallel cis one_hbond 
+E417-E429 : A-C Wh/Ws pairing antiparallel cis one_hbond 78 
+E418-E428 : C-G Ww/Ww pairing antiparallel cis XIX 
+E419-E426 : C-G Ww/Ww pairing antiparallel cis XIX 
+G607-G622 : G-C Ww/Ww pairing antiparallel cis XIX 
+G608-G621 : G-C Ww/Ww pairing antiparallel cis XIX 
+G608-G625 : G-A O2'/Ww O2'/Bh pairing 
+G609-G620 : U-A Ww/Ww pairing antiparallel cis XX 
+G610-G618 : G-C Wh/Bh pairing antiparallel cis one_hbond 123 
+G610-G628 : G-G Ww/Hh pairing parallel cis VI 
+G611-G630 : C-G Ww/Ww pairing antiparallel cis XIX 
+G612-G633 : G-C Ww/Ww pairing antiparallel cis XIX 
+G613-G632 : C-G Ww/Ww pairing antiparallel cis XIX 
+G614-G631 : A-A Ww/Ww pairing parallel trans one_hbond 
+G615-G627 : U-U Hh/Ww pairing antiparallel trans 81 
+G615-G629 : U-C Wh/Wh pairing antiparallel cis one_hbond 
+G617-G629 : A-C Wh/Ws pairing antiparallel cis one_hbond 78 
+G618-G628 : C-G Ww/Ww pairing antiparallel cis XIX 
+G619-G626 : C-G Ww/Ww pairing antiparallel cis XIX 
+G627-G629 : U-C Ws/Hw pairing parallel cis one_hbond 99 
diff --git a/MCdata/1dfu_MC b/MCdata/1dfu_MC
new file mode 100644
index 0000000000000000000000000000000000000000..e5e4425d6b908840765523f24f20725e2b27b15a
--- /dev/null
+++ b/MCdata/1dfu_MC
@@ -0,0 +1,432 @@
+Residue conformations -------------------------------------------
+M91 : C C3p_endo anti
+M92 : C C3p_endo anti
+M93 : C C3p_endo anti
+M94 : A C3p_endo anti
+M95 : U C3p_endo anti
+M96 : G C3p_endo anti
+M97 : C C3p_endo anti
+M98 : G C3p_endo anti
+M99 : A C2p_exo anti
+M100 : G C3p_endo anti
+M101 : A C3p_endo anti
+M102 : G C3p_endo anti
+M103 : U C3p_endo anti
+M104 : A C3p_endo anti
+M105 : G C3p_endo anti
+M106 : G C3p_endo anti
+M107 : G C3p_endo anti
+M108 : A C3p_endo anti
+M109 : C C3p_endo anti
+N68 : U C3p_endo anti
+N69 : G C4p_exo syn
+N70 : C C3p_endo anti
+N71 : C C3p_endo anti
+N72 : G C3p_endo anti
+N73 : A C3p_endo anti
+N74 : U C3p_endo anti
+N75 : G C3p_endo anti
+N76 : G C3p_endo anti
+N77 : U C3p_endo anti
+N78 : A C3p_endo anti
+N79 : G C3p_endo anti
+N80 : U C3p_endo anti
+N81 : G C3p_endo anti
+N82 : U C3p_endo anti
+N83 : G C3p_endo anti
+N84 : G C3p_endo anti
+N85 : G C3p_endo anti
+N86 : G C3p_endo anti
+P1 : MET
+P2 : PHE
+P3 : THR
+P4 : ILE
+P5 : ASN
+P6 : ALA
+P7 : GLU
+P8 : VAL
+P9 : ARG
+P10 : LYS
+P11 : GLU
+P12 : GLN
+P13 : GLY
+P14 : LYS
+P15 : GLY
+P16 : ALA
+P17 : SER
+P18 : ARG
+P19 : ARG
+P20 : LEU
+P21 : ARG
+P22 : ALA
+P23 : ALA
+P24 : ASN
+P25 : LYS
+P26 : PHE
+P27 : PRO
+P28 : ALA
+P29 : ILE
+P30 : ILE
+P31 : TYR
+P32 : GLY
+P33 : GLY
+P34 : LYS
+P35 : GLU
+P36 : ALA
+P37 : PRO
+P38 : LEU
+P39 : ALA
+P40 : ILE
+P41 : GLU
+P42 : LEU
+P43 : ASP
+P44 : HIS
+P45 : ASP
+P46 : LYS
+P47 : VAL
+P48 : MET
+P49 : ASN
+P50 : MET
+P51 : GLN
+P52 : ALA
+P53 : LYS
+P54 : ALA
+P55 : GLU
+P56 : PHE
+P57 : TYR
+P58 : SER
+P59 : GLU
+P60 : VAL
+P61 : LEU
+P62 : THR
+P63 : ILE
+P64 : VAL
+P65 : VAL
+P66 : ASP
+P67 : GLY
+P68 : LYS
+P69 : GLU
+P70 : ILE
+P71 : LYS
+P72 : VAL
+P73 : LYS
+P74 : ALA
+P75 : GLN
+P76 : ASP
+P77 : VAL
+P78 : GLN
+P79 : ARG
+P80 : HIS
+P81 : PRO
+P82 : TYR
+P83 : LYS
+P84 : PRO
+P85 : LYS
+P86 : LEU
+P87 : GLN
+P88 : HIS
+P89 : ILE
+P90 : ASP
+P91 : PHE
+P92 : VAL
+P93 : ARG
+P94 : ALA
+M501 : MG
+M502 : MG
+M503 : MG
+M505 : MG
+N504 : MG
+M506 : HOH
+M507 : HOH
+M508 : HOH
+M509 : HOH
+M510 : HOH
+M511 : HOH
+M512 : HOH
+M513 : HOH
+M514 : HOH
+M515 : HOH
+M516 : HOH
+M517 : HOH
+M518 : HOH
+M519 : HOH
+M520 : HOH
+M521 : HOH
+M522 : HOH
+M523 : HOH
+M524 : HOH
+M525 : HOH
+M526 : HOH
+M527 : HOH
+M528 : HOH
+M529 : HOH
+M530 : HOH
+M531 : HOH
+M532 : HOH
+M533 : HOH
+M534 : HOH
+M535 : HOH
+M536 : HOH
+M537 : HOH
+M538 : HOH
+M539 : HOH
+M540 : HOH
+M541 : HOH
+M542 : HOH
+M543 : HOH
+M544 : HOH
+M545 : HOH
+M546 : HOH
+M547 : HOH
+M548 : HOH
+M549 : HOH
+M550 : HOH
+M551 : HOH
+M552 : HOH
+M553 : HOH
+M554 : HOH
+M555 : HOH
+M556 : HOH
+M557 : HOH
+M558 : HOH
+M559 : HOH
+M560 : HOH
+M561 : HOH
+M562 : HOH
+M563 : HOH
+M564 : HOH
+M565 : HOH
+M566 : HOH
+M567 : HOH
+M568 : HOH
+M569 : HOH
+M570 : HOH
+M571 : HOH
+M572 : HOH
+M573 : HOH
+M574 : HOH
+M575 : HOH
+M576 : HOH
+M577 : HOH
+M578 : HOH
+M579 : HOH
+M580 : HOH
+M581 : HOH
+M582 : HOH
+M583 : HOH
+M584 : HOH
+M585 : HOH
+M586 : HOH
+M587 : HOH
+M588 : HOH
+M589 : HOH
+M590 : HOH
+M591 : HOH
+M592 : HOH
+N505 : HOH
+N506 : HOH
+N507 : HOH
+N508 : HOH
+N509 : HOH
+N510 : HOH
+N511 : HOH
+N512 : HOH
+N513 : HOH
+N514 : HOH
+N515 : HOH
+N516 : HOH
+N517 : HOH
+N518 : HOH
+N519 : HOH
+N520 : HOH
+N521 : HOH
+N522 : HOH
+N523 : HOH
+N524 : HOH
+N525 : HOH
+N526 : HOH
+N527 : HOH
+N528 : HOH
+N529 : HOH
+N530 : HOH
+N531 : HOH
+N532 : HOH
+N533 : HOH
+N534 : HOH
+N535 : HOH
+N536 : HOH
+N537 : HOH
+N538 : HOH
+N539 : HOH
+N540 : HOH
+N541 : HOH
+N542 : HOH
+N543 : HOH
+N544 : HOH
+N545 : HOH
+N546 : HOH
+N547 : HOH
+N548 : HOH
+N549 : HOH
+N550 : HOH
+N551 : HOH
+N552 : HOH
+N553 : HOH
+N554 : HOH
+N555 : HOH
+N556 : HOH
+N557 : HOH
+N558 : HOH
+N559 : HOH
+N560 : HOH
+N561 : HOH
+N562 : HOH
+N563 : HOH
+N564 : HOH
+N565 : HOH
+N566 : HOH
+N567 : HOH
+N568 : HOH
+N569 : HOH
+N570 : HOH
+N571 : HOH
+N572 : HOH
+N573 : HOH
+N574 : HOH
+N575 : HOH
+N576 : HOH
+N577 : HOH
+N578 : HOH
+N579 : HOH
+P95 : HOH
+P96 : HOH
+P97 : HOH
+P98 : HOH
+P99 : HOH
+P100 : HOH
+P101 : HOH
+P102 : HOH
+P103 : HOH
+P104 : HOH
+P105 : HOH
+P106 : HOH
+P107 : HOH
+P108 : HOH
+P109 : HOH
+P110 : HOH
+P111 : HOH
+P112 : HOH
+P113 : HOH
+P114 : HOH
+P115 : HOH
+P116 : HOH
+P117 : HOH
+P118 : HOH
+P119 : HOH
+P120 : HOH
+P121 : HOH
+P122 : HOH
+P123 : HOH
+P124 : HOH
+P125 : HOH
+P126 : HOH
+P127 : HOH
+P128 : HOH
+P129 : HOH
+P130 : HOH
+P131 : HOH
+P132 : HOH
+P133 : HOH
+P134 : HOH
+P135 : HOH
+P136 : HOH
+P137 : HOH
+P138 : HOH
+P139 : HOH
+P140 : HOH
+P141 : HOH
+P142 : HOH
+P143 : HOH
+P144 : HOH
+P145 : HOH
+P146 : HOH
+P147 : HOH
+P148 : HOH
+P149 : HOH
+P150 : HOH
+P151 : HOH
+P152 : HOH
+P153 : HOH
+P154 : HOH
+P155 : HOH
+P156 : HOH
+P157 : HOH
+P158 : HOH
+P159 : HOH
+P160 : HOH
+P161 : HOH
+P162 : HOH
+P163 : HOH
+P164 : HOH
+P165 : HOH
+P166 : HOH
+P167 : HOH
+P168 : HOH
+P169 : HOH
+P170 : HOH
+P171 : HOH
+P172 : HOH
+P173 : HOH
+P174 : HOH
+Adjacent stackings ----------------------------------------------
+M93-M94 : adjacent_5p upward 
+M94-M95 : adjacent_5p upward 
+M96-M97 : adjacent_5p upward 
+M97-M98 : adjacent_5p upward 
+M99-M100 : adjacent_5p upward 
+M100-M101 : adjacent_5p upward 
+M101-M102 : adjacent_5p upward 
+M102-M103 : adjacent_5p upward 
+M103-M104 : adjacent_5p upward 
+M104-M105 : adjacent_5p upward 
+M105-M106 : adjacent_5p upward 
+M106-M107 : adjacent_5p upward 
+N71-N72 : adjacent_5p upward 
+N73-N74 : adjacent_5p upward 
+N74-N75 : adjacent_5p upward 
+N75-N76 : adjacent_5p upward 
+N76-N77 : adjacent_5p upward 
+N78-N79 : adjacent_5p upward 
+N79-N80 : adjacent_5p upward 
+N81-N82 : adjacent_5p upward 
+N82-N83 : adjacent_5p upward 
+N83-N84 : adjacent_5p upward 
+N84-N85 : adjacent_5p upward 
+N85-N86 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+M94-N83 : outward 
+M96-N81 : outward 
+M99-N78 : outward 
+M104-N73 : outward 
+Number of stackings = 28
+Number of adjacent stackings = 24
+Number of non adjacent stackings = 4
+Base-pairs ------------------------------------------------------
+M91-N85 : C-G Ww/Ww pairing antiparallel cis XIX 
+M92-N84 : C-G Ww/Ww pairing antiparallel cis XIX 
+M93-N83 : C-G Ww/Ww pairing antiparallel cis XIX 
+M94-N82 : A-U Ww/Ww pairing antiparallel cis XX 
+M95-N81 : U-G Ws/Ww pairing antiparallel cis XXVIII 
+M96-N80 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+M97-N79 : C-G Ww/Ww pairing antiparallel cis XIX 
+M98-N78 : G-A Ss/Hh O2'/Bh pairing antiparallel trans XI 
+M99-N77 : A-U Hh/Ws pairing antiparallel trans XXIV 
+M100-N76 : G-G Bh/Ww pairing antiparallel trans 115 
+M101-N75 : A-G Wh/Wh pairing antiparallel cis one_hbond 
+M102-N74 : G-U Ww/Bh pairing antiparallel trans 91 
+M103-N73 : U-A Ws/Hh pairing antiparallel trans XXIV 
+M104-N72 : A-G Hh/Ss Bh/O2' pairing antiparallel trans XI 
+M105-N71 : G-C Ww/Ww pairing antiparallel cis XIX 
+M106-N70 : G-C Ww/Ww pairing antiparallel cis XIX 
+M108-M109 : A-C O2P/Bh adjacent_5p pairing 
+N68-N69 : U-G O2'/Bs O2'/Ss adjacent_5p pairing 
diff --git a/MCdata/1di2_MC b/MCdata/1di2_MC
new file mode 100644
index 0000000000000000000000000000000000000000..2ec790b6824731013861ccbd6a9f87e14ee8417c
--- /dev/null
+++ b/MCdata/1di2_MC
@@ -0,0 +1,577 @@
+Residue conformations -------------------------------------------
+C1 : G C3p_endo anti
+C2 : G C3p_endo anti
+C3 : C C3p_endo anti
+C4 : G C3p_endo anti
+C5 : C C3p_endo anti
+C6 : G C3p_endo anti
+C7 : C C3p_endo anti
+C8 : G C3p_endo anti
+C9 : C C3p_endo anti
+C10 : C C3p_endo anti
+D11 : G C3p_endo anti
+D12 : G C3p_endo anti
+D13 : C C3p_endo anti
+D14 : G C3p_endo anti
+D15 : C C3p_endo anti
+D16 : G C3p_endo anti
+D17 : C C3p_endo anti
+D18 : G C3p_endo anti
+D19 : C C3p_endo anti
+D20 : C C3p_endo anti
+E21 : G C3p_endo anti
+E22 : G C3p_endo anti
+E23 : C C3p_endo anti
+E24 : G C3p_endo anti
+E25 : C C3p_endo anti
+E26 : G C3p_endo anti
+E27 : C C3p_endo anti
+E28 : G C3p_endo anti
+E29 : C C3p_endo anti
+E30 : C C3p_endo anti
+G41 : G C3p_endo anti
+G42 : G C3p_endo anti
+G43 : C C3p_endo anti
+G44 : G C3p_endo anti
+G45 : C C3p_endo anti
+G46 : G C3p_endo anti
+G47 : C C3p_endo anti
+G48 : G C3p_endo anti
+G49 : C C3p_endo anti
+G50 : C C3p_endo anti
+A112 : MET
+A113 : PRO
+A114 : VAL
+A115 : GLY
+A116 : SER
+A117 : LEU
+A118 : GLN
+A119 : GLU
+A120 : LEU
+A121 : ALA
+A122 : VAL
+A123 : GLN
+A124 : LYS
+A125 : GLY
+A126 : TRP
+A127 : ARG
+A128 : LEU
+A129 : PRO
+A130 : GLU
+A131 : TYR
+A132 : THR
+A133 : VAL
+A134 : ALA
+A135 : GLN
+A136 : GLU
+A137 : SER
+A138 : GLY
+A139 : PRO
+A140 : PRO
+A141 : HIS
+A142 : LYS
+A143 : ARG
+A144 : GLU
+A145 : PHE
+A146 : THR
+A147 : ILE
+A148 : THR
+A149 : CYS
+A150 : ARG
+A151 : VAL
+A152 : GLU
+A153 : THR
+A154 : PHE
+A155 : VAL
+A156 : GLU
+A157 : THR
+A158 : GLY
+A159 : SER
+A160 : GLY
+A161 : THR
+A162 : SER
+A163 : LYS
+A164 : GLN
+A165 : VAL
+A166 : ALA
+A167 : LYS
+A168 : ARG
+A169 : VAL
+A170 : ALA
+A171 : ALA
+A172 : GLU
+A173 : LYS
+A174 : LEU
+A175 : LEU
+A176 : THR
+A177 : LYS
+A178 : PHE
+A179 : LYS
+A180 : THR
+B112 : MET
+B113 : PRO
+B114 : VAL
+B115 : GLY
+B116 : SER
+B117 : LEU
+B118 : GLN
+B119 : GLU
+B120 : LEU
+B121 : ALA
+B122 : VAL
+B123 : GLN
+B124 : LYS
+B125 : GLY
+B126 : TRP
+B127 : ARG
+B128 : LEU
+B129 : PRO
+B130 : GLU
+B131 : TYR
+B132 : THR
+B133 : VAL
+B134 : ALA
+B135 : GLN
+B145 : PHE
+B146 : THR
+B147 : ILE
+B148 : THR
+B149 : CYS
+B150 : ARG
+B151 : VAL
+B152 : GLU
+B153 : THR
+B154 : PHE
+B155 : VAL
+B156 : GLU
+B157 : THR
+B158 : GLY
+B159 : SER
+B160 : GLY
+B161 : THR
+B162 : SER
+B163 : LYS
+B164 : GLN
+B165 : VAL
+B166 : ALA
+B167 : LYS
+B168 : ARG
+B169 : VAL
+B170 : ALA
+B171 : ALA
+B172 : GLU
+B173 : LYS
+B174 : LEU
+B175 : LEU
+B176 : THR
+B177 : LYS
+B178 : PHE
+B179 : LYS
+B180 : THR
+C11 : HOH
+C12 : HOH
+C13 : HOH
+C14 : HOH
+C15 : HOH
+C16 : HOH
+C17 : HOH
+C18 : HOH
+C19 : HOH
+C20 : HOH
+C21 : HOH
+C22 : HOH
+C23 : HOH
+C24 : HOH
+C25 : HOH
+C26 : HOH
+C27 : HOH
+C28 : HOH
+C29 : HOH
+C30 : HOH
+C31 : HOH
+C32 : HOH
+C33 : HOH
+C34 : HOH
+C35 : HOH
+C36 : HOH
+C37 : HOH
+C38 : HOH
+C39 : HOH
+C40 : HOH
+C41 : HOH
+C42 : HOH
+C43 : HOH
+C44 : HOH
+C45 : HOH
+C46 : HOH
+C47 : HOH
+C48 : HOH
+C49 : HOH
+C50 : HOH
+C51 : HOH
+C52 : HOH
+C53 : HOH
+C54 : HOH
+C55 : HOH
+C56 : HOH
+C57 : HOH
+C58 : HOH
+C59 : HOH
+C60 : HOH
+C61 : HOH
+C62 : HOH
+C63 : HOH
+C64 : HOH
+C65 : HOH
+C66 : HOH
+C67 : HOH
+C68 : HOH
+C69 : HOH
+C70 : HOH
+C71 : HOH
+C72 : HOH
+C73 : HOH
+D21 : HOH
+D22 : HOH
+D23 : HOH
+D24 : HOH
+D25 : HOH
+D26 : HOH
+D27 : HOH
+D28 : HOH
+D29 : HOH
+D30 : HOH
+D31 : HOH
+D32 : HOH
+D33 : HOH
+D34 : HOH
+D35 : HOH
+D36 : HOH
+D37 : HOH
+D38 : HOH
+D39 : HOH
+D40 : HOH
+D41 : HOH
+D42 : HOH
+D43 : HOH
+D44 : HOH
+D45 : HOH
+D46 : HOH
+D47 : HOH
+D48 : HOH
+D49 : HOH
+D50 : HOH
+D51 : HOH
+D52 : HOH
+D53 : HOH
+D54 : HOH
+D55 : HOH
+D56 : HOH
+D57 : HOH
+D58 : HOH
+D59 : HOH
+D60 : HOH
+D61 : HOH
+D62 : HOH
+D63 : HOH
+D64 : HOH
+D65 : HOH
+D66 : HOH
+D67 : HOH
+D68 : HOH
+D69 : HOH
+D70 : HOH
+D71 : HOH
+D72 : HOH
+D73 : HOH
+D74 : HOH
+D75 : HOH
+D76 : HOH
+D77 : HOH
+D78 : HOH
+D79 : HOH
+D80 : HOH
+D81 : HOH
+D82 : HOH
+D83 : HOH
+E31 : HOH
+E32 : HOH
+E33 : HOH
+E34 : HOH
+E35 : HOH
+E36 : HOH
+E37 : HOH
+E38 : HOH
+E39 : HOH
+E40 : HOH
+E41 : HOH
+E42 : HOH
+E43 : HOH
+E44 : HOH
+E45 : HOH
+E46 : HOH
+E47 : HOH
+E48 : HOH
+E49 : HOH
+E50 : HOH
+E51 : HOH
+E52 : HOH
+E53 : HOH
+E54 : HOH
+E55 : HOH
+E56 : HOH
+E57 : HOH
+E58 : HOH
+E59 : HOH
+E60 : HOH
+E61 : HOH
+E62 : HOH
+E63 : HOH
+E64 : HOH
+E65 : HOH
+E66 : HOH
+E67 : HOH
+E68 : HOH
+E69 : HOH
+E70 : HOH
+E71 : HOH
+E72 : HOH
+E73 : HOH
+E74 : HOH
+E75 : HOH
+E76 : HOH
+E77 : HOH
+E78 : HOH
+E79 : HOH
+E80 : HOH
+E81 : HOH
+E82 : HOH
+A181 : HOH
+A182 : HOH
+A183 : HOH
+A184 : HOH
+A185 : HOH
+A186 : HOH
+A187 : HOH
+A188 : HOH
+A189 : HOH
+A190 : HOH
+A191 : HOH
+A192 : HOH
+A193 : HOH
+A194 : HOH
+A195 : HOH
+A196 : HOH
+A197 : HOH
+A198 : HOH
+A199 : HOH
+A200 : HOH
+A201 : HOH
+A202 : HOH
+A203 : HOH
+A204 : HOH
+A205 : HOH
+A206 : HOH
+A207 : HOH
+A208 : HOH
+A209 : HOH
+A210 : HOH
+A211 : HOH
+A212 : HOH
+A213 : HOH
+A214 : HOH
+A215 : HOH
+A216 : HOH
+A217 : HOH
+A218 : HOH
+A219 : HOH
+A220 : HOH
+A221 : HOH
+A222 : HOH
+A223 : HOH
+A224 : HOH
+A225 : HOH
+A226 : HOH
+A227 : HOH
+A228 : HOH
+A229 : HOH
+A230 : HOH
+A231 : HOH
+A232 : HOH
+A233 : HOH
+A234 : HOH
+A235 : HOH
+A236 : HOH
+A237 : HOH
+A238 : HOH
+A239 : HOH
+A240 : HOH
+A241 : HOH
+A242 : HOH
+A243 : HOH
+A244 : HOH
+A245 : HOH
+A246 : HOH
+A247 : HOH
+A248 : HOH
+A249 : HOH
+A250 : HOH
+A251 : HOH
+A252 : HOH
+A253 : HOH
+A254 : HOH
+A255 : HOH
+A256 : HOH
+A257 : HOH
+A258 : HOH
+A259 : HOH
+A260 : HOH
+A261 : HOH
+A262 : HOH
+A263 : HOH
+A264 : HOH
+A265 : HOH
+A266 : HOH
+A267 : HOH
+A268 : HOH
+A269 : HOH
+A270 : HOH
+A271 : HOH
+A272 : HOH
+A273 : HOH
+A274 : HOH
+A275 : HOH
+A276 : HOH
+A277 : HOH
+B181 : HOH
+B182 : HOH
+B183 : HOH
+B184 : HOH
+B185 : HOH
+B186 : HOH
+B187 : HOH
+B188 : HOH
+B189 : HOH
+B190 : HOH
+B191 : HOH
+B192 : HOH
+B193 : HOH
+B194 : HOH
+B195 : HOH
+B196 : HOH
+B197 : HOH
+B198 : HOH
+B199 : HOH
+B200 : HOH
+B201 : HOH
+B202 : HOH
+B203 : HOH
+B204 : HOH
+B205 : HOH
+B206 : HOH
+B207 : HOH
+B208 : HOH
+B209 : HOH
+B210 : HOH
+B211 : HOH
+B212 : HOH
+B213 : HOH
+B214 : HOH
+B215 : HOH
+B216 : HOH
+B217 : HOH
+B218 : HOH
+B219 : HOH
+B220 : HOH
+B221 : HOH
+B222 : HOH
+B223 : HOH
+B224 : HOH
+B225 : HOH
+B226 : HOH
+B227 : HOH
+B228 : HOH
+B229 : HOH
+B230 : HOH
+B231 : HOH
+B232 : HOH
+B233 : HOH
+B234 : HOH
+B235 : HOH
+B236 : HOH
+B237 : HOH
+B238 : HOH
+B239 : HOH
+B240 : HOH
+B241 : HOH
+B242 : HOH
+B243 : HOH
+B244 : HOH
+B245 : HOH
+B246 : HOH
+B247 : HOH
+B248 : HOH
+B249 : HOH
+B250 : HOH
+B251 : HOH
+B252 : HOH
+B253 : HOH
+B254 : HOH
+B255 : HOH
+B256 : HOH
+B257 : HOH
+B258 : HOH
+B259 : HOH
+B260 : HOH
+B261 : HOH
+B262 : HOH
+B263 : HOH
+B264 : HOH
+Adjacent stackings ----------------------------------------------
+C1-C2 : adjacent_5p upward 
+C2-C3 : adjacent_5p upward 
+C3-C4 : adjacent_5p upward 
+C4-C5 : adjacent_5p upward 
+C6-C7 : adjacent_5p upward 
+C8-C9 : adjacent_5p upward 
+C9-C10 : adjacent_5p upward 
+D11-D12 : adjacent_5p upward 
+D12-D13 : adjacent_5p upward 
+D13-D14 : adjacent_5p upward 
+D14-D15 : adjacent_5p upward 
+D16-D17 : adjacent_5p upward 
+D18-D19 : adjacent_5p upward 
+D19-D20 : adjacent_5p upward 
+E21-E22 : adjacent_5p upward 
+E22-E23 : adjacent_5p upward 
+E23-E24 : adjacent_5p upward 
+E24-E25 : adjacent_5p upward 
+E25-E26 : adjacent_5p upward 
+E26-E27 : adjacent_5p upward 
+E28-E29 : adjacent_5p upward 
+E29-E30 : adjacent_5p upward 
+G41-G42 : adjacent_5p upward 
+G42-G43 : adjacent_5p upward 
+G44-G45 : adjacent_5p upward 
+G45-G46 : adjacent_5p upward 
+G46-G47 : adjacent_5p upward 
+G48-G49 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+C4-D18 : outward 
+C6-D16 : outward 
+C8-D14 : outward 
+D11-G41 : outward 
+Number of stackings = 32
+Number of adjacent stackings = 28
+Number of non adjacent stackings = 4
+Base-pairs ------------------------------------------------------
+C1-D20 : G-C Ww/Ww pairing antiparallel cis XIX 
+C2-D19 : G-C Ww/Ww pairing antiparallel cis XIX 
+C3-D18 : C-G Ww/Ww pairing antiparallel cis XIX 
+C4-D17 : G-C Ww/Ww pairing antiparallel cis XIX 
+C5-D16 : C-G Ww/Ww pairing antiparallel cis XIX 
+C6-D15 : G-C Ww/Ww pairing antiparallel cis XIX 
+C7-D14 : C-G Ww/Ww pairing antiparallel cis XIX 
+C8-D13 : G-C Ww/Ww pairing antiparallel cis XIX 
+C9-D12 : C-G Ww/Ww pairing antiparallel cis XIX 
+C10-D11 : C-G Ww/Ww pairing antiparallel cis XIX 
diff --git a/MCdata/1dk1_MC b/MCdata/1dk1_MC
new file mode 100644
index 0000000000000000000000000000000000000000..8a68ee16efeb3971a30afdd26ff7535a06506693
--- /dev/null
+++ b/MCdata/1dk1_MC
@@ -0,0 +1,255 @@
+Residue conformations -------------------------------------------
+B1 : G C3p_endo anti
+B2 : G C3p_endo anti
+B3 : G C3p_endo anti
+B4 : C C3p_endo anti
+B5 : G C3p_exo anti
+B6 : G C3p_endo anti
+B7 : C C3p_endo anti
+B8 : C C3p_endo anti
+B9 : U C3p_endo anti
+B10 : U C2p_endo anti
+B11 : C C2p_endo anti
+B12 : G C3p_endo syn
+B13 : G C3p_endo anti
+B14 : G C2p_exo anti
+B15 : C C4p_exo anti
+B16 : U C4p_exo anti
+B17 : A C3p_exo anti
+B18 : G C3p_endo anti
+B19 : A C3p_endo anti
+B20 : C C3p_endo anti
+B21 : G C3p_endo anti
+B22 : G C3p_endo anti
+B23 : U C3p_endo anti
+B24 : G C3p_endo anti
+B25 : G C3p_endo anti
+B26 : G C3p_endo anti
+B27 : A C3p_endo anti
+B28 : G C4p_endo anti
+B29 : A C2p_endo anti
+B30 : G C3p_endo anti
+B31 : G C3p_endo anti
+B32 : C C3p_endo anti
+B33 : U C3p_endo anti
+B34 : U C2p_endo syn
+B35 : C C2p_endo anti
+B36 : G C3p_endo anti
+B37 : G C2p_exo anti
+B38 : C C3p_endo anti
+B39 : U C3p_endo anti
+B40 : G C3p_endo anti
+B41 : G C3p_endo anti
+B42 : U C3p_endo anti
+B43 : C C3p_endo anti
+B44 : C C2p_exo anti
+B45 : A C3p_endo anti
+B46 : C C2p_endo anti
+B47 : C C2p_endo syn
+B48 : C C3p_endo anti
+B49 : G C3p_endo anti
+B50 : U C3p_endo anti
+B51 : G C2p_endo anti
+B52 : A C2p_endo anti
+B53 : C C3p_endo syn
+B54 : G C3p_endo anti
+B55 : C C3p_endo anti
+B56 : U C3p_endo anti
+B57 : C C2p_exo anti
+A101 : PRO
+A102 : ILE
+A103 : THR
+A104 : LYS
+A105 : GLU
+A106 : GLU
+A107 : LYS
+A108 : GLN
+A109 : LYS
+A110 : VAL
+A111 : MSE
+A112 : GLN
+A113 : GLU
+A114 : PHE
+A115 : ALA
+A116 : ARG
+A117 : PHE
+A118 : PRO
+A119 : GLY
+A120 : ASP
+A121 : THR
+A122 : GLY
+A123 : SER
+A124 : THR
+A125 : GLU
+A126 : VAL
+A127 : GLN
+A128 : VAL
+A129 : ALA
+A130 : LEU
+A131 : LEU
+A132 : THR
+A133 : LEU
+A134 : ARG
+A135 : ILE
+A136 : ASN
+A137 : ARG
+A138 : LEU
+A139 : SER
+A140 : GLU
+A141 : HIS
+A142 : LEU
+A143 : LYS
+A144 : VAL
+A145 : HIS
+A146 : LYS
+A147 : LYS
+A148 : ASP
+A149 : HIS
+A150 : HIS
+A151 : SER
+A152 : HIS
+A153 : ARG
+A154 : GLY
+A155 : LEU
+A156 : LEU
+A157 : MSE
+A158 : MSE
+A159 : VAL
+A160 : GLY
+A161 : GLN
+A162 : ARG
+A163 : ARG
+A164 : ARG
+A165 : LEU
+A166 : LEU
+A167 : ARG
+A168 : TYR
+A169 : LEU
+A170 : GLN
+A171 : ARG
+A172 : GLU
+A173 : ASP
+A174 : PRO
+A175 : GLU
+A176 : ARG
+A177 : TYR
+A178 : ARG
+A179 : MSE
+A180 : LEU
+A181 : ILE
+A182 : GLU
+A183 : LYS
+A184 : LEU
+A185 : GLY
+A186 : ILE
+B200 : MG
+B201 : MG
+B202 : MG
+B203 : MG
+B204 : MG
+B205 : MG
+B206 : MG
+B208 : MG
+B209 : MG
+B210 : NA
+B211 : NA
+A213 : K
+B301 : HOH
+B305 : HOH
+B307 : HOH
+B308 : HOH
+B309 : HOH
+B310 : HOH
+B311 : HOH
+B313 : HOH
+B314 : HOH
+B315 : HOH
+B316 : HOH
+B317 : HOH
+B318 : HOH
+B319 : HOH
+B322 : HOH
+B323 : HOH
+B324 : HOH
+A300 : HOH
+A302 : HOH
+A303 : HOH
+A304 : HOH
+A306 : HOH
+A312 : HOH
+A320 : HOH
+A321 : HOH
+Adjacent stackings ----------------------------------------------
+B1-B2 : adjacent_5p upward 
+B2-B3 : adjacent_5p upward 
+B3-B4 : adjacent_5p upward 
+B6-B7 : adjacent_5p upward 
+B7-B8 : adjacent_5p upward 
+B8-B9 : adjacent_5p upward 
+B13-B14 : adjacent_5p upward 
+B14-B15 : adjacent_5p upward 
+B15-B16 : adjacent_5p upward 
+B18-B19 : adjacent_5p upward 
+B19-B20 : adjacent_5p upward 
+B21-B22 : adjacent_5p upward 
+B22-B23 : adjacent_5p upward 
+B23-B24 : adjacent_5p upward 
+B24-B25 : adjacent_5p upward 
+B25-B26 : adjacent_5p upward 
+B26-B27 : adjacent_5p upward 
+B27-B28 : adjacent_5p upward 
+B30-B31 : adjacent_5p upward 
+B31-B32 : adjacent_5p upward 
+B32-B33 : adjacent_5p upward 
+B37-B38 : adjacent_5p upward 
+B38-B39 : adjacent_5p upward 
+B40-B41 : adjacent_5p upward 
+B41-B42 : adjacent_5p upward 
+B44-B45 : adjacent_5p upward 
+B45-B46 : adjacent_5p upward 
+B49-B50 : adjacent_5p upward 
+B50-B51 : adjacent_5p upward 
+B54-B55 : adjacent_5p upward 
+B55-B56 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+B2-B57 : outward 
+B5-B54 : outward 
+B6-B52 : downward pairing 
+B8-B14 : outward 
+B9-B11 : upward 
+B16-B51 : inward 
+B18-B52 : outward 
+B21-B49 : outward 
+B24-B45 : outward 
+B30-B40 : outward 
+Number of stackings = 41
+Number of adjacent stackings = 31
+Number of non adjacent stackings = 10
+Base-pairs ------------------------------------------------------
+B1-B57 : G-C Ww/Ww pairing antiparallel cis XIX 
+B2-B56 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+B3-B55 : G-C Ww/Ww pairing antiparallel cis XIX 
+B4-B54 : C-G Ww/Ww pairing antiparallel cis XIX 
+B5-B53 : G-C Ww/O2P Bs/O2P pairing 
+B6-B15 : G-C Ww/Ww pairing antiparallel cis XIX 
+B6-B52 : G-A Hh/O2' downward pairing 
+B7-B14 : C-G Ww/Ww pairing antiparallel cis XIX 
+B8-B13 : C-G Ww/Ww pairing antiparallel cis XIX 
+B9-B12 : U-G Bs/Ww pairing parallel trans 87 
+B10-B11 : U-C O2P/Bh adjacent_5p pairing 
+B16-B52 : U-A Ww/Hh pairing antiparallel trans XXIV 
+B18-B51 : G-G Hw/Sw pairing antiparallel trans one_hbond 112 
+B18-B53 : G-C Ww/Ww pairing antiparallel cis XIX 
+B19-B50 : A-U Ww/Ww pairing antiparallel cis XX 
+B20-B49 : C-G Ww/Ww pairing antiparallel cis XIX 
+B21-B48 : G-C Ww/Ww pairing antiparallel cis XIX 
+B22-B46 : G-C Ww/Ww pairing antiparallel cis XIX 
+B23-B45 : U-A Ww/Ww pairing antiparallel cis XX 
+B24-B44 : G-C Ww/Ww pairing antiparallel cis XIX 
+B25-B43 : G-C Ww/Ww pairing antiparallel cis XIX 
+B26-B42 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+B27-B41 : A-G Ww/Ww pairing antiparallel cis VIII 
+B30-B39 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+B31-B38 : G-C Ww/Ww pairing antiparallel cis XIX 
+B32-B37 : C-G Ww/Ww pairing antiparallel cis XIX 
+B34-B35 : U-C O2P/Bh adjacent_5p pairing 
diff --git a/MCdata/1dqf_MC b/MCdata/1dqf_MC
new file mode 100644
index 0000000000000000000000000000000000000000..eed45dcdbd3f6355bd4de05927512b0b9e83d1c1
--- /dev/null
+++ b/MCdata/1dqf_MC
@@ -0,0 +1,92 @@
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : C C3p_endo anti
+A3 : C C3p_endo anti
+A4 : A C3p_endo anti
+A5 : C C3p_endo anti
+A6 : C C3p_endo anti
+A7 : C C3p_endo anti
+A8 : U C3p_endo anti
+A9 : G C3p_endo anti
+B10 : C C3p_endo anti
+B11 : A C3p_endo anti
+B12 : G C3p_endo anti
+B13 : G C3p_endo anti
+B14 : G C3p_endo anti
+B15 : U C3p_endo anti
+B16 : C C3p_endo anti
+B17 : G C3p_endo anti
+B18 : G C3p_endo anti
+B19 : C C3p_endo anti
+B201 : CA
+B202 : CA
+A102 : HOH
+A113 : HOH
+A114 : HOH
+A115 : HOH
+A123 : HOH
+A124 : HOH
+A125 : HOH
+A127 : HOH
+A128 : HOH
+A132 : HOH
+A134 : HOH
+A137 : HOH
+B101 : HOH
+B103 : HOH
+B104 : HOH
+B105 : HOH
+B106 : HOH
+B107 : HOH
+B108 : HOH
+B109 : HOH
+B110 : HOH
+B111 : HOH
+B112 : HOH
+B116 : HOH
+B117 : HOH
+B118 : HOH
+B119 : HOH
+B120 : HOH
+B121 : HOH
+B122 : HOH
+B126 : HOH
+B129 : HOH
+B130 : HOH
+B131 : HOH
+B133 : HOH
+B135 : HOH
+B136 : HOH
+B138 : HOH
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+B10-B11 : adjacent_5p upward 
+B11-B12 : adjacent_5p upward 
+B12-B13 : adjacent_5p upward 
+B13-B14 : adjacent_5p upward 
+B14-B15 : adjacent_5p upward 
+B17-B18 : adjacent_5p upward 
+B18-B19 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-B17 : outward 
+A9-B11 : outward 
+Number of stackings = 17
+Number of adjacent stackings = 15
+Number of non adjacent stackings = 2
+Base-pairs ------------------------------------------------------
+A1-B19 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-B18 : C-G Ww/Ww pairing antiparallel cis XIX 
+A3-B17 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-B15 : A-U Ww/Ww pairing antiparallel cis XX 
+A5-B14 : C-G Ww/Ww pairing antiparallel cis XIX 
+A6-B13 : C-G Ww/Ww pairing antiparallel cis XIX 
+A7-B12 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-B11 : U-A Ww/Ww pairing antiparallel cis XX 
+A9-B10 : G-C Ww/Ww pairing antiparallel cis XIX 
diff --git a/MCdata/1dqh_MC b/MCdata/1dqh_MC
new file mode 100644
index 0000000000000000000000000000000000000000..5c1201ee911e95b9bca04bb40998790ef29a4234
--- /dev/null
+++ b/MCdata/1dqh_MC
@@ -0,0 +1,109 @@
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : C C3p_endo anti
+A3 : C C3p_endo anti
+A4 : A C3p_endo anti
+A5 : C C3p_endo anti
+A6 : C C3p_endo anti
+A7 : C C3p_endo anti
+A8 : U C3p_endo anti
+A9 : G C3p_endo anti
+B10 : C C3p_endo anti
+B11 : A C3p_endo anti
+B12 : G C3p_endo anti
+B13 : G C3p_endo anti
+B14 : G C3p_endo anti
+B15 : U C3p_endo anti
+B16 : C C3p_endo anti
+B17 : G C3p_endo anti
+B18 : G C3p_endo anti
+B19 : C C3p_endo anti
+A103 : HOH
+A107 : HOH
+A108 : HOH
+A124 : HOH
+A126 : HOH
+A127 : HOH
+A131 : HOH
+A132 : HOH
+A133 : HOH
+A135 : HOH
+A140 : HOH
+A141 : HOH
+A142 : HOH
+A145 : HOH
+A151 : HOH
+A153 : HOH
+A155 : HOH
+A156 : HOH
+B100 : HOH
+B101 : HOH
+B102 : HOH
+B104 : HOH
+B105 : HOH
+B106 : HOH
+B109 : HOH
+B110 : HOH
+B111 : HOH
+B112 : HOH
+B113 : HOH
+B114 : HOH
+B115 : HOH
+B116 : HOH
+B117 : HOH
+B118 : HOH
+B119 : HOH
+B120 : HOH
+B121 : HOH
+B122 : HOH
+B123 : HOH
+B125 : HOH
+B128 : HOH
+B129 : HOH
+B130 : HOH
+B134 : HOH
+B136 : HOH
+B137 : HOH
+B138 : HOH
+B139 : HOH
+B143 : HOH
+B144 : HOH
+B146 : HOH
+B147 : HOH
+B148 : HOH
+B149 : HOH
+B150 : HOH
+B152 : HOH
+B154 : HOH
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+B10-B11 : adjacent_5p upward 
+B11-B12 : adjacent_5p upward 
+B12-B13 : adjacent_5p upward 
+B13-B14 : adjacent_5p upward 
+B14-B15 : adjacent_5p upward 
+B17-B18 : adjacent_5p upward 
+B18-B19 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-B17 : outward 
+A9-B11 : outward 
+Number of stackings = 17
+Number of adjacent stackings = 15
+Number of non adjacent stackings = 2
+Base-pairs ------------------------------------------------------
+A1-B19 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-B18 : C-G Ww/Ww pairing antiparallel cis XIX 
+A3-B17 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-B15 : A-U Ww/Ww pairing antiparallel cis XX 
+A5-B14 : C-G Ww/Ww pairing antiparallel cis XIX 
+A6-B13 : C-G Ww/Ww pairing antiparallel cis XIX 
+A7-B12 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-B11 : U-A Ww/Ww pairing antiparallel cis XX 
+A9-B10 : G-C Ww/Ww pairing antiparallel cis XIX 
diff --git a/MCdata/1drr_MC b/MCdata/1drr_MC
new file mode 100644
index 0000000000000000000000000000000000000000..f88a9fddc825166cce6cc8c4096280830e59b81c
--- /dev/null
+++ b/MCdata/1drr_MC
@@ -0,0 +1,485 @@
+Residue conformations -------------------------------------------
+A1 : G C1p_exo anti
+A2 : A C1p_exo anti
+A3 : A C1p_exo anti
+A4 : G C3p_endo anti
+A5 : A C1p_exo anti
+A6 : G C1p_exo anti
+A7 : A C3p_endo anti
+A8 : A C3p_endo anti
+A9 : G C3p_endo anti
+A10 : C C1p_exo anti
+B1 : G C3p_endo anti
+B2 : C C2p_exo anti
+B3 : U C3p_endo anti
+B4 : U C2p_exo anti
+B5 : C C3p_endo anti
+B6 : U C3p_endo anti
+B7 : C C3p_endo anti
+B8 : U C3p_endo anti
+B9 : U C3p_endo anti
+B10 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+B1-B2 : adjacent_5p upward 
+B8-B9 : adjacent_5p upward 
+B9-B10 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A9-B3 : outward 
+Number of stackings = 13
+Number of adjacent stackings = 12
+Number of non adjacent stackings = 1
+Base-pairs ------------------------------------------------------
+A1-B10 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-B9 : A-U Ww/Ww pairing antiparallel cis XX 
+A3-B8 : A-U Ww/Ww pairing antiparallel cis XX 
+A4-B7 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-B6 : A-U Ww/Ww pairing antiparallel cis XX 
+A6-B5 : G-C Ww/Ww pairing antiparallel cis XIX 
+A7-B4 : A-U Ww/Ww pairing antiparallel cis XX 
+A8-B3 : A-U Ww/Ww pairing antiparallel cis XX 
+A9-B2 : G-C Ww/Ww pairing antiparallel cis XIX 
+A10-B1 : C-G Ww/Ww pairing antiparallel cis XIX 
+Residue conformations -------------------------------------------
+A1 : G C1p_exo anti
+A2 : A C1p_exo anti
+A3 : A C1p_exo anti
+A4 : G C1p_exo anti
+A5 : A C1p_exo anti
+A6 : G C1p_exo anti
+A7 : A C1p_exo anti
+A8 : A C1p_exo anti
+A9 : G C1p_exo anti
+A10 : C C1p_exo anti
+B1 : G C3p_endo anti
+B2 : C C3p_endo anti
+B3 : U C3p_endo anti
+B4 : U C2p_exo anti
+B5 : C C3p_endo anti
+B6 : U C2p_exo anti
+B7 : C C2p_exo anti
+B8 : U C2p_exo anti
+B9 : U C3p_endo anti
+B10 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+B1-B2 : adjacent_5p upward 
+B3-B4 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 11
+Number of adjacent stackings = 11
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A1-B10 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-B9 : A-U Ww/Ww pairing antiparallel cis XX 
+A3-B8 : A-U Ww/Ww pairing antiparallel cis XX 
+A4-B7 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-B6 : A-U Ww/Ww pairing antiparallel cis XX 
+A6-B5 : G-C Ww/Ww pairing antiparallel cis XIX 
+A7-B4 : A-U Ww/Ww pairing antiparallel cis XX 
+A8-B3 : A-U Ww/Ww pairing antiparallel cis XX 
+A9-B2 : G-C Ww/Ww pairing antiparallel cis XIX 
+A10-B1 : C-G Ww/Ww pairing antiparallel cis XIX 
+Residue conformations -------------------------------------------
+A1 : G C1p_exo anti
+A2 : A C1p_exo anti
+A3 : A C3p_endo anti
+A4 : G C1p_exo anti
+A5 : A C1p_exo anti
+A6 : G C3p_endo anti
+A7 : A C1p_exo anti
+A8 : A C1p_exo anti
+A9 : G C1p_exo anti
+A10 : C C1p_exo anti
+B1 : G O4p_endo anti
+B2 : C C3p_endo anti
+B3 : U C2p_exo anti
+B4 : U C3p_endo anti
+B5 : C C3p_endo anti
+B6 : U C3p_endo anti
+B7 : C C3p_endo anti
+B8 : U C2p_exo anti
+B9 : U C3p_endo anti
+B10 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+B1-B2 : adjacent_5p upward 
+B4-B5 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 11
+Number of adjacent stackings = 11
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A1-B10 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-B9 : A-U Ww/Ww pairing antiparallel cis XX 
+A3-B8 : A-U Ww/Ww pairing antiparallel cis XX 
+A4-B7 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-B6 : A-U Ww/Ww pairing antiparallel cis XX 
+A6-B5 : G-C Ww/Ww pairing antiparallel cis XIX 
+A7-B4 : A-U Ww/Ww pairing antiparallel cis XX 
+A8-B3 : A-U Ww/Ww pairing antiparallel cis XX 
+A9-B2 : G-C Ww/Ww pairing antiparallel cis XIX 
+A10-B1 : C-G Ww/Ww pairing antiparallel cis XIX 
+Residue conformations -------------------------------------------
+A1 : G C1p_exo anti
+A2 : A C1p_exo anti
+A3 : A C1p_exo anti
+A4 : G C1p_exo anti
+A5 : A C1p_exo anti
+A6 : G C1p_exo anti
+A7 : A C1p_exo anti
+A8 : A C1p_exo anti
+A9 : G C1p_exo anti
+A10 : C C1p_exo anti
+B1 : G C3p_endo anti
+B2 : C C3p_endo anti
+B3 : U C3p_endo anti
+B4 : U C2p_exo anti
+B5 : C C3p_endo anti
+B6 : U C3p_endo anti
+B7 : C C2p_exo anti
+B8 : U C3p_endo anti
+B9 : U C3p_endo anti
+B10 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+B1-B2 : adjacent_5p upward 
+B3-B4 : adjacent_5p upward 
+B9-B10 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 12
+Number of adjacent stackings = 12
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A1-B10 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-B9 : A-U Ww/Ww pairing antiparallel cis XX 
+A3-B8 : A-U Ww/Ww pairing antiparallel cis XX 
+A4-B7 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-B6 : A-U Ww/Ww pairing antiparallel cis XX 
+A6-B5 : G-C Ww/Ww pairing antiparallel cis XIX 
+A7-B4 : A-U Ww/Ww pairing antiparallel cis XX 
+A8-B3 : A-U Ww/Ww pairing antiparallel cis XX 
+A9-B2 : G-C Ww/Ww pairing antiparallel cis XIX 
+A10-B1 : C-G Ww/Ww pairing antiparallel cis XIX 
+Residue conformations -------------------------------------------
+A1 : G C1p_exo anti
+A2 : A C1p_exo anti
+A3 : A C1p_exo anti
+A4 : G C1p_exo anti
+A5 : A C1p_exo anti
+A6 : G C1p_exo anti
+A7 : A C3p_endo anti
+A8 : A C1p_exo anti
+A9 : G C3p_endo anti
+A10 : C C1p_exo anti
+B1 : G C3p_endo anti
+B2 : C C3p_endo anti
+B3 : U C3p_endo anti
+B4 : U C2p_exo anti
+B5 : C C3p_endo anti
+B6 : U C3p_endo anti
+B7 : C C2p_exo anti
+B8 : U C3p_endo anti
+B9 : U C3p_endo anti
+B10 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+B1-B2 : adjacent_5p upward 
+B6-B7 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 11
+Number of adjacent stackings = 11
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A1-B10 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-B9 : A-U Ww/Ww pairing antiparallel cis XX 
+A3-B8 : A-U Ww/Ww pairing antiparallel cis XX 
+A4-B7 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-B6 : A-U Ww/Ww pairing antiparallel cis XX 
+A6-B5 : G-C Ww/Ww pairing antiparallel cis XIX 
+A7-B4 : A-U Ww/Ww pairing antiparallel cis XX 
+A8-B3 : A-U Ww/Ww pairing antiparallel cis XX 
+A9-B2 : G-C Ww/Ww pairing antiparallel cis XIX 
+A10-B1 : C-G Ww/Ww pairing antiparallel cis XIX 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : A C1p_exo anti
+A3 : A C1p_exo anti
+A4 : G C1p_exo anti
+A5 : A C1p_exo anti
+A6 : G C1p_exo anti
+A7 : A C1p_exo anti
+A8 : A C1p_exo anti
+A9 : G C1p_exo anti
+A10 : C C1p_exo anti
+B1 : G C3p_endo anti
+B2 : C C2p_exo anti
+B3 : U C3p_endo anti
+B4 : U C3p_endo anti
+B5 : C C2p_exo anti
+B6 : U C3p_endo anti
+B7 : C C2p_exo anti
+B8 : U C3p_endo anti
+B9 : U C3p_endo anti
+B10 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+B1-B2 : adjacent_5p upward 
+B3-B4 : adjacent_5p upward 
+B4-B5 : adjacent_5p upward 
+B9-B10 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 13
+Number of adjacent stackings = 13
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A1-B10 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-B9 : A-U Ww/Ww pairing antiparallel cis XX 
+A3-B8 : A-U Ww/Ww pairing antiparallel cis XX 
+A4-B7 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-B6 : A-U Ww/Ww pairing antiparallel cis XX 
+A6-B5 : G-C Ww/Ww pairing antiparallel cis XIX 
+A7-B4 : A-U Ww/Ww pairing antiparallel cis XX 
+A8-B3 : A-U Ww/Ww pairing antiparallel cis XX 
+A9-B2 : G-C Ww/Ww pairing antiparallel cis XIX 
+A10-B1 : C-G Ww/Ww pairing antiparallel cis XIX 
+Residue conformations -------------------------------------------
+A1 : G C1p_exo anti
+A2 : A C1p_exo anti
+A3 : A C1p_exo anti
+A4 : G C1p_exo anti
+A5 : A C3p_endo anti
+A6 : G C1p_exo anti
+A7 : A C1p_exo anti
+A8 : A C1p_exo anti
+A9 : G C3p_endo anti
+A10 : C C3p_endo anti
+B1 : G C3p_endo anti
+B2 : C C2p_exo anti
+B3 : U C3p_endo anti
+B4 : U C3p_endo anti
+B5 : C C3p_endo anti
+B6 : U C2p_exo anti
+B7 : C C3p_endo anti
+B8 : U C2p_exo anti
+B9 : U C3p_endo anti
+B10 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+B1-B2 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 10
+Number of adjacent stackings = 10
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A1-B10 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-B9 : A-U Ww/Ww pairing antiparallel cis XX 
+A3-B8 : A-U Ww/Ww pairing antiparallel cis XX 
+A4-B7 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-B6 : A-U Ww/Ww pairing antiparallel cis XX 
+A6-B5 : G-C Ww/Ww pairing antiparallel cis XIX 
+A7-B4 : A-U Ww/Ww pairing antiparallel cis XX 
+A8-B3 : A-U Ww/Ww pairing antiparallel cis XX 
+A9-B2 : G-C Ww/Ww pairing antiparallel cis XIX 
+A10-B1 : C-G Ww/Ww pairing antiparallel cis XIX 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : A C1p_exo anti
+A3 : A C1p_exo anti
+A4 : G C1p_exo anti
+A5 : A C1p_exo anti
+A6 : G C1p_exo anti
+A7 : A C1p_exo anti
+A8 : A C3p_endo anti
+A9 : G C1p_exo anti
+A10 : C C1p_exo anti
+B1 : G C3p_endo anti
+B2 : C C3p_endo anti
+B3 : U C3p_endo anti
+B4 : U C2p_exo anti
+B5 : C C3p_endo anti
+B6 : U C3p_endo anti
+B7 : C C3p_endo anti
+B8 : U C3p_endo anti
+B9 : U C3p_endo anti
+B10 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+B1-B2 : adjacent_5p upward 
+B5-B6 : adjacent_5p upward 
+B6-B7 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 12
+Number of adjacent stackings = 12
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A1-B10 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-B9 : A-U Ww/Ww pairing antiparallel cis XX 
+A3-B8 : A-U Ww/Ww pairing antiparallel cis XX 
+A4-B7 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-B6 : A-U Ww/Ww pairing antiparallel cis XX 
+A6-B5 : G-C Ww/Ww pairing antiparallel cis XIX 
+A7-B4 : A-U Ww/Ww pairing antiparallel cis XX 
+A8-B3 : A-U Ww/Ww pairing antiparallel cis XX 
+A9-B2 : G-C Ww/Ww pairing antiparallel cis XIX 
+A10-B1 : C-G Ww/Ww pairing antiparallel cis XIX 
+Residue conformations -------------------------------------------
+A1 : G C1p_exo anti
+A2 : A C1p_exo anti
+A3 : A C1p_exo anti
+A4 : G C1p_exo anti
+A5 : A C1p_exo anti
+A6 : G C1p_exo anti
+A7 : A C1p_exo anti
+A8 : A C1p_exo anti
+A9 : G C1p_exo anti
+A10 : C C1p_exo anti
+B1 : G C3p_endo anti
+B2 : C C3p_endo anti
+B3 : U C2p_exo anti
+B4 : U C3p_endo anti
+B5 : C C2p_exo anti
+B6 : U C2p_exo anti
+B7 : C C3p_endo anti
+B8 : U C2p_exo anti
+B9 : U C3p_endo anti
+B10 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+B1-B2 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 10
+Number of adjacent stackings = 10
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A1-B10 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-B9 : A-U Ww/Ww pairing antiparallel cis XX 
+A3-B8 : A-U Ww/Ww pairing antiparallel cis XX 
+A4-B7 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-B6 : A-U Ww/Ww pairing antiparallel cis XX 
+A6-B5 : G-C Ww/Ww pairing antiparallel cis XIX 
+A7-B4 : A-U Ww/Ww pairing antiparallel cis XX 
+A8-B3 : A-U Ww/Ww pairing antiparallel cis XX 
+A9-B2 : G-C Ww/Ww pairing antiparallel cis XIX 
+A10-B1 : C-G Ww/Ww pairing antiparallel cis XIX 
+Residue conformations -------------------------------------------
+A1 : G C1p_exo anti
+A2 : A C1p_exo anti
+A3 : A C1p_exo anti
+A4 : G C1p_exo anti
+A5 : A C3p_endo anti
+A6 : G C1p_exo anti
+A7 : A C1p_exo anti
+A8 : A C1p_exo anti
+A9 : G C1p_exo anti
+A10 : C C3p_endo anti
+B1 : G C4p_exo anti
+B2 : C C3p_endo anti
+B3 : U C3p_endo anti
+B4 : U C3p_endo anti
+B5 : C C3p_endo anti
+B6 : U C3p_endo anti
+B7 : C C3p_endo anti
+B8 : U C3p_endo anti
+B9 : U C3p_endo anti
+B10 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+B1-B2 : adjacent_5p upward 
+B3-B4 : adjacent_5p upward 
+B9-B10 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 12
+Number of adjacent stackings = 12
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A1-B10 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-B9 : A-U Ww/Ww pairing antiparallel cis XX 
+A3-B8 : A-U Ww/Ww pairing antiparallel cis XX 
+A4-B7 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-B6 : A-U Ww/Ww pairing antiparallel cis XX 
+A6-B5 : G-C Ww/Ww pairing antiparallel cis XIX 
+A7-B4 : A-U Ww/Ww pairing antiparallel cis XX 
+A8-B3 : A-U Ww/Ww pairing antiparallel cis XX 
+A9-B2 : G-C Ww/Ww pairing antiparallel cis XIX 
+A10-B1 : C-G Ww/Ww pairing antiparallel cis XIX 
diff --git a/MCdata/1drz_MC b/MCdata/1drz_MC
new file mode 100644
index 0000000000000000000000000000000000000000..d66d6a07363faa9a2e63c2b63201d2995239f75b
--- /dev/null
+++ b/MCdata/1drz_MC
@@ -0,0 +1,284 @@
+Residue conformations -------------------------------------------
+B101 : G C3p_endo anti
+B102 : G C3p_endo anti
+B103 : C C3p_endo anti
+B104 : C C3p_endo anti
+B105 : G C3p_endo anti
+B106 : G C3p_endo anti
+B107 : C C3p_endo anti
+B108 : A C3p_endo anti
+B109 : U C3p_endo anti
+B110 : G C3p_endo anti
+B111 : G C3p_endo anti
+B112 : U C3p_endo anti
+B113 : C C3p_endo anti
+B114 : C C3p_endo anti
+B115 : C C3p_endo anti
+B116 : A C3p_endo anti
+B117 : G C3p_endo anti
+B118 : C C3p_endo anti
+B119 : C C3p_endo anti
+B120 : U C4p_exo anti
+B121 : C C3p_endo anti
+B122 : C C3p_exo anti
+B123 : U C3p_endo anti
+B124 : C C4p_exo anti
+B125 : G C3p_endo syn
+B126 : C C3p_endo anti
+B127 : U C3p_endo anti
+B128 : G C3p_endo anti
+B129 : G C3p_endo anti
+B130 : C C3p_endo anti
+B131 : G C3p_endo anti
+B132 : C C3p_endo anti
+B133 : C C3p_endo anti
+B134 : G C3p_endo anti
+B135 : G C3p_endo anti
+B136 : C C3p_endo anti
+B137 : U C3p_endo anti
+B138 : G C3p_endo anti
+B139 : G C3p_endo anti
+B140 : G C3p_endo anti
+B141 : C C3p_exo anti
+B142 : A C3p_endo anti
+B143 : A C3p_endo anti
+B144 : C C3p_endo anti
+B145 : A C3p_endo anti
+B146 : C C3p_endo anti
+B147 : C C3p_endo anti
+B148 : A C3p_endo anti
+B149 : U C3p_endo anti
+B150 : U C2p_endo anti
+B151 : G C3p_endo anti
+B152 : C C2p_endo anti
+B153 : A C3p_endo anti
+B154 : C C3p_endo anti
+B155 : U C3p_exo anti
+B156 : C C3p_endo anti
+B157 : C C3p_endo anti
+B158 : G C2p_exo anti
+B159 : G C3p_endo anti
+B160 : U C3p_endo anti
+B161 : G C3p_endo anti
+B162 : G C3p_exo anti
+B163 : C C3p_exo anti
+B164 : G C3p_exo anti
+B165 : A C3p_endo anti
+B166 : A C3p_endo anti
+B167 : U C3p_exo anti
+B168 : G C3p_endo anti
+B169 : G C3p_endo anti
+B170 : G C3p_endo anti
+B171 : A C3p_endo anti
+B172 : C C3p_endo anti
+A4 : PRO
+A5 : GLU
+A6 : THR
+A7 : ARG
+A8 : PRO
+A9 : ASN
+A10 : HIS
+A11 : THR
+A12 : ILE
+A13 : TYR
+A14 : ILE
+A15 : ASN
+A16 : ASN
+A17 : LEU
+A18 : ASN
+A19 : GLU
+A20 : LYS
+A21 : ILE
+A22 : LYS
+A23 : LYS
+A24 : ASP
+A25 : GLU
+A26 : LEU
+A27 : LYS
+A28 : LYS
+A29 : SER
+A30 : LEU
+A31 : HIS
+A32 : ALA
+A33 : ILE
+A34 : PHE
+A35 : SER
+A36 : ARG
+A37 : PHE
+A38 : GLY
+A39 : GLN
+A40 : ILE
+A41 : LEU
+A42 : ASP
+A43 : ILE
+A44 : LEU
+A45 : VAL
+A46 : SER
+A47 : ARG
+A48 : SER
+A49 : LEU
+A50 : LYS
+A51 : MSE
+A52 : ARG
+A53 : GLY
+A54 : GLN
+A55 : ALA
+A56 : PHE
+A57 : VAL
+A58 : ILE
+A59 : PHE
+A60 : LYS
+A61 : GLU
+A62 : VAL
+A63 : SER
+A64 : SER
+A65 : ALA
+A66 : THR
+A67 : ASN
+A68 : ALA
+A69 : LEU
+A70 : ARG
+A71 : SER
+A72 : MSE
+A73 : GLN
+A74 : GLY
+A75 : PHE
+A76 : PRO
+A77 : PHE
+A78 : TYR
+A79 : ASP
+A80 : LYS
+A81 : PRO
+A82 : MSE
+A83 : ARG
+A84 : ILE
+A85 : GLN
+A86 : TYR
+A87 : ALA
+A88 : LYS
+A89 : THR
+A90 : ASP
+A91 : SER
+A92 : ASP
+A93 : ILE
+A94 : ILE
+A95 : ALA
+A96 : LYS
+A97 : MSE
+A98 : LYS
+B401 : MG
+B402 : MG
+B403 : MG
+A404 : SO4
+A405 : SO4
+B305 : HOH
+B308 : HOH
+B309 : HOH
+B310 : HOH
+B316 : HOH
+B317 : HOH
+B318 : HOH
+B319 : HOH
+A301 : HOH
+A302 : HOH
+A303 : HOH
+A304 : HOH
+A306 : HOH
+A307 : HOH
+A311 : HOH
+A312 : HOH
+A313 : HOH
+A314 : HOH
+A315 : HOH
+Adjacent stackings ----------------------------------------------
+B101-B102 : adjacent_5p upward 
+B102-B103 : adjacent_5p upward 
+B103-B104 : adjacent_5p upward 
+B105-B106 : adjacent_5p upward 
+B106-B107 : adjacent_5p upward 
+B107-B108 : adjacent_5p upward 
+B108-B109 : adjacent_5p upward 
+B110-B111 : adjacent_5p upward 
+B111-B112 : adjacent_5p upward 
+B112-B113 : adjacent_5p upward 
+B114-B115 : adjacent_5p upward 
+B115-B116 : adjacent_5p upward 
+B116-B117 : adjacent_5p upward 
+B117-B118 : adjacent_5p upward 
+B118-B119 : adjacent_5p upward 
+B119-B120 : adjacent_5p upward 
+B128-B129 : adjacent_5p upward 
+B129-B130 : adjacent_5p upward 
+B131-B132 : adjacent_5p upward 
+B132-B133 : adjacent_5p upward 
+B134-B135 : adjacent_5p upward 
+B135-B136 : adjacent_5p upward 
+B136-B137 : adjacent_5p upward 
+B138-B139 : adjacent_5p upward 
+B139-B140 : adjacent_5p upward 
+B140-B141 : adjacent_5p upward 
+B142-B143 : adjacent_5p upward 
+B143-B144 : adjacent_5p upward 
+B144-B145 : adjacent_5p upward 
+B145-B146 : adjacent_5p upward 
+B146-B147 : adjacent_5p upward 
+B147-B148 : adjacent_5p upward 
+B148-B149 : adjacent_5p upward 
+B153-B154 : adjacent_5p upward 
+B156-B157 : adjacent_5p upward 
+B158-B159 : adjacent_5p upward 
+B159-B160 : adjacent_5p upward 
+B160-B161 : adjacent_5p upward 
+B161-B162 : adjacent_5p upward 
+B165-B166 : adjacent_5p upward 
+B168-B169 : adjacent_5p upward 
+B169-B170 : adjacent_5p upward 
+B170-B171 : adjacent_5p upward 
+B171-B172 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+B101-B138 : outward 
+B105-B134 : outward 
+B108-B131 : outward 
+B116-B168 : outward 
+B120-B124 : upward 
+B121-B162 : downward 
+B125-B128 : outward 
+B145-B161 : outward 
+B163-B165 : outward 
+Number of stackings = 53
+Number of adjacent stackings = 44
+Number of non adjacent stackings = 9
+Base-pairs ------------------------------------------------------
+B101-B137 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+B102-B136 : G-C Ww/Ww pairing antiparallel cis XIX 
+B103-B135 : C-G Ww/Ww pairing antiparallel cis XIX 
+B104-B134 : C-G Ww/Ww pairing antiparallel cis XIX 
+B105-B133 : G-C Ww/Ww pairing antiparallel cis XIX 
+B106-B132 : G-C Ww/Ww pairing antiparallel cis XIX 
+B107-B131 : C-G Ww/Ww pairing antiparallel cis XIX 
+B111-B172 : G-C Ww/Ww pairing antiparallel cis XIX 
+B112-B171 : U-A Ww/Ww pairing antiparallel cis XX 
+B113-B170 : C-G Ww/Ww pairing antiparallel cis XIX 
+B114-B169 : C-G Ww/Ww pairing antiparallel cis XIX 
+B115-B168 : C-G Ww/Ww pairing antiparallel cis XIX 
+B116-B167 : A-U Ww/Ww pairing antiparallel cis XX 
+B117-B130 : G-C Ww/Ww pairing antiparallel cis XIX 
+B118-B129 : C-G Ww/Ww pairing antiparallel cis XIX 
+B119-B128 : C-G Ww/Ww pairing antiparallel cis XIX 
+B119-B165 : C-A O2'/Ss pairing 
+B120-B163 : U-C O2'/Bh pairing 
+B121-B139 : C-G Ww/Ww pairing antiparallel cis XIX 
+B121-B142 : C-A O2'/Ww pairing 
+B122-B138 : C-G Ww/Ww pairing antiparallel cis XIX 
+B122-B163 : C-C O2P/Bh pairing 
+B129-B166 : G-A Sw/Ss O2'/Ww pairing parallel trans one_hbond 57 
+B140-B142 : G-A O2'/Hh pairing 
+B140-B162 : G-G Ws/Hw pairing antiparallel trans one_hbond 
+B141-B161 : C-G Wh/Hh pairing antiparallel trans one_hbond 117 
+B143-B162 : A-G Ww/Ww pairing antiparallel cis VIII 
+B144-B161 : C-G Ww/Ww pairing antiparallel cis XIX 
+B145-B160 : A-U Ww/Ww pairing antiparallel cis XX 
+B146-B159 : C-G Ww/Ww pairing antiparallel cis XIX 
+B147-B158 : C-G Ww/Ww pairing antiparallel cis XIX 
+B155-B156 : U-C Bs/Hh adjacent_5p pairing parallel cis 99 
+B155-B157 : U-C O2'/Bh pairing 
diff --git a/MCdata/1duh_MC b/MCdata/1duh_MC
new file mode 100644
index 0000000000000000000000000000000000000000..ab26eb360291b2a9917c6f55b6ad2175a877d911
--- /dev/null
+++ b/MCdata/1duh_MC
@@ -0,0 +1,93 @@
+Residue conformations -------------------------------------------
+A31 : C C3p_endo anti
+A32 : U C3p_endo anti
+A33 : C C3p_endo anti
+A34 : U C3p_endo anti
+A35 : G C3p_endo anti
+A36 : U C3p_endo anti
+A37 : U C3p_endo anti
+A38 : U C3p_endo anti
+A39 : A C3p_endo anti
+A40 : C C3p_endo anti
+A41 : C C2p_endo anti
+A42 : A C2p_endo syn
+A43 : G C3p_endo anti
+A44 : G C3p_endo anti
+A45 : U C3p_endo anti
+A46 : C C3p_endo anti
+A47 : A C3p_endo anti
+A48 : G C3p_endo anti
+A49 : G C3p_endo anti
+A50 : U C3p_endo anti
+A51 : C C3p_endo anti
+A52 : C C3p_endo anti
+A53 : G C3p_endo anti
+A54 : G C2p_endo anti
+A55 : A C3p_endo anti
+A56 : A C3p_endo anti
+A57 : G C3p_endo anti
+A58 : G C3p_endo anti
+A59 : A C3p_endo anti
+A60 : A C3p_endo anti
+A61 : G C3p_endo anti
+A62 : C C3p_endo anti
+A63 : A C3p_endo anti
+A64 : G C3p_endo anti
+A65 : C C3p_endo anti
+A66 : C C3p_endo anti
+A67 : A C3p_endo anti
+A68 : A C3p_endo anti
+A69 : G C3p_endo anti
+A70 : G C3p_endo anti
+A71 : C C3p_endo anti
+A72 : A C3p_endo anti
+A73 : G C3p_endo anti
+A74 : A C3p_endo anti
+A75 : PGP
+A1 : LU
+A2 : MG
+A3 : SO4
+A4 : SO4
+A101 : HOH
+A102 : HOH
+A103 : HOH
+A104 : HOH
+A105 : HOH
+A106 : HOH
+Adjacent stackings ----------------------------------------------
+A31-A32 : adjacent_5p upward 
+A34-A35 : adjacent_5p upward 
+A35-A36 : adjacent_5p upward 
+A39-A40 : adjacent_5p upward 
+A43-A44 : adjacent_5p upward 
+A44-A45 : adjacent_5p upward 
+A45-A46 : adjacent_5p upward 
+A47-A48 : adjacent_5p upward 
+A48-A49 : adjacent_5p upward 
+A49-A50 : adjacent_5p upward 
+A50-A51 : adjacent_5p upward 
+A51-A52 : adjacent_5p upward 
+A52-A53 : adjacent_5p upward 
+A53-A54 : adjacent_5p upward 
+A55-A56 : adjacent_5p upward 
+A56-A57 : adjacent_5p upward 
+A57-A58 : adjacent_5p upward 
+A58-A59 : adjacent_5p upward 
+A59-A60 : adjacent_5p upward 
+A60-A61 : adjacent_5p upward 
+A62-A63 : adjacent_5p upward 
+A63-A64 : adjacent_5p upward 
+A64-A65 : adjacent_5p upward 
+A66-A67 : adjacent_5p upward 
+A67-A68 : adjacent_5p upward 
+A68-A69 : adjacent_5p upward 
+A69-A70 : adjacent_5p upward 
+A70-A71 : adjacent_5p upward 
+A72-A73 : adjacent_5p upward 
+A73-A74 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A40-A42 : inward 
+Number of stackings = 31
+Number of adjacent stackings = 30
+Number of non adjacent stackings = 1
+Base-pairs ------------------------------------------------------
diff --git a/MCdata/1dul_MC b/MCdata/1dul_MC
new file mode 100644
index 0000000000000000000000000000000000000000..d83bbd7a008a64dc67368bcc0d41ea5813b162bf
--- /dev/null
+++ b/MCdata/1dul_MC
@@ -0,0 +1,497 @@
+Residue conformations -------------------------------------------
+B130 : G C3p_endo anti
+B131 : G C3p_endo anti
+B132 : C C3p_endo anti
+B133 : U C3p_endo anti
+B134 : C C3p_endo anti
+B135 : U C3p_endo anti
+B136 : G C3p_endo anti
+B137 : U C3p_endo anti
+B138 : U C3p_endo anti
+B139 : U C3p_endo anti
+B140 : A C3p_endo anti
+B141 : C C3p_endo anti
+B142 : C C3p_endo anti
+B143 : A C3p_exo anti
+B144 : G C3p_endo anti
+B145 : G C3p_endo anti
+B146 : U C3p_endo anti
+B147 : C C3p_endo anti
+B148 : A C3p_endo anti
+B149 : G C3p_endo anti
+B150 : G C3p_endo anti
+B151 : U C3p_endo anti
+B152 : C C3p_endo anti
+B153 : C C3p_endo anti
+B154 : G C3p_endo anti
+B155 : A C3p_endo anti
+B156 : A C3p_endo anti
+B157 : A C3p_endo anti
+B158 : G C3p_endo anti
+B159 : G C2p_exo anti
+B160 : A C3p_endo anti
+B161 : A C3p_endo anti
+B162 : G C3p_endo anti
+B163 : C C3p_endo anti
+B164 : A C3p_endo anti
+B165 : G C3p_endo anti
+B166 : C C3p_endo anti
+B167 : C C3p_endo anti
+B168 : A C3p_endo anti
+B169 : A C3p_endo anti
+B170 : G C3p_endo anti
+B171 : G C3p_endo anti
+B172 : C C3p_endo anti
+B173 : A C3p_endo anti
+B174 : G C3p_endo anti
+B175 : A C3p_endo anti
+B176 : G C3p_endo anti
+B177 : C C3p_endo anti
+B178 : CCC
+A1 : PHE
+A2 : ASP
+A3 : LEU
+A4 : ASN
+A5 : ASP
+A6 : PHE
+A7 : LEU
+A8 : GLU
+A9 : GLN
+A23 : LYS
+A24 : VAL
+A25 : LEU
+A26 : VAL
+A27 : ARG
+A28 : MSE
+A29 : GLU
+A30 : ALA
+A31 : ILE
+A32 : ILE
+A33 : ASN
+A34 : SER
+A35 : MSE
+A36 : THR
+A37 : MSE
+A38 : LYS
+A39 : GLU
+A40 : ARG
+A41 : ALA
+A42 : LYS
+A43 : PRO
+A44 : GLU
+A45 : ILE
+A46 : ILE
+A47 : LYS
+A48 : GLY
+A49 : SER
+A50 : ARG
+A51 : LYS
+A52 : ARG
+A53 : ARG
+A54 : ILE
+A55 : ALA
+A56 : ALA
+A57 : GLY
+A58 : SER
+A59 : GLY
+A60 : MSE
+A61 : GLN
+A62 : VAL
+A63 : GLN
+A64 : ASP
+A65 : VAL
+A66 : ASN
+A67 : ARG
+A68 : LEU
+A69 : LEU
+A70 : LYS
+A71 : GLN
+A72 : PHE
+A73 : ASP
+A74 : ASP
+A75 : MSE
+A76 : GLN
+A77 : ARG
+A78 : MSE
+A79 : MSE
+A80 : LYS
+A81 : LYS
+A82 : MSE
+B701 : K
+B702 : K
+B703 : K
+B704 : MG
+B705 : MG
+B706 : MG
+B707 : MG
+B801 : HOH
+B802 : HOH
+B803 : HOH
+B804 : HOH
+B805 : HOH
+B806 : HOH
+B807 : HOH
+B808 : HOH
+B809 : HOH
+B810 : HOH
+B811 : HOH
+B812 : HOH
+B813 : HOH
+B814 : HOH
+B815 : HOH
+B816 : HOH
+B817 : HOH
+B818 : HOH
+B819 : HOH
+B820 : HOH
+B821 : HOH
+B822 : HOH
+B823 : HOH
+B824 : HOH
+B825 : HOH
+B826 : HOH
+B827 : HOH
+B828 : HOH
+B829 : HOH
+B830 : HOH
+B831 : HOH
+B832 : HOH
+B833 : HOH
+B834 : HOH
+B835 : HOH
+B836 : HOH
+B837 : HOH
+B838 : HOH
+B839 : HOH
+B840 : HOH
+B841 : HOH
+B842 : HOH
+B843 : HOH
+B844 : HOH
+B845 : HOH
+B846 : HOH
+B847 : HOH
+B848 : HOH
+B849 : HOH
+B850 : HOH
+B851 : HOH
+B852 : HOH
+B853 : HOH
+B854 : HOH
+B855 : HOH
+B856 : HOH
+B857 : HOH
+B858 : HOH
+B859 : HOH
+B860 : HOH
+B861 : HOH
+B862 : HOH
+B863 : HOH
+B864 : HOH
+B865 : HOH
+B866 : HOH
+B867 : HOH
+B868 : HOH
+B869 : HOH
+B870 : HOH
+B871 : HOH
+B872 : HOH
+B873 : HOH
+B874 : HOH
+B875 : HOH
+B876 : HOH
+B877 : HOH
+B878 : HOH
+B879 : HOH
+B880 : HOH
+B881 : HOH
+B882 : HOH
+B883 : HOH
+B884 : HOH
+B885 : HOH
+B886 : HOH
+B887 : HOH
+B888 : HOH
+B889 : HOH
+B890 : HOH
+B891 : HOH
+B892 : HOH
+B893 : HOH
+B894 : HOH
+B895 : HOH
+B896 : HOH
+B897 : HOH
+B898 : HOH
+B899 : HOH
+B900 : HOH
+B901 : HOH
+B902 : HOH
+B903 : HOH
+B904 : HOH
+B905 : HOH
+B906 : HOH
+B907 : HOH
+B908 : HOH
+B909 : HOH
+B910 : HOH
+B911 : HOH
+B912 : HOH
+B913 : HOH
+B914 : HOH
+B915 : HOH
+B916 : HOH
+B917 : HOH
+B918 : HOH
+B919 : HOH
+B920 : HOH
+B921 : HOH
+B922 : HOH
+B923 : HOH
+B924 : HOH
+B925 : HOH
+B926 : HOH
+B927 : HOH
+B928 : HOH
+B929 : HOH
+B930 : HOH
+B931 : HOH
+B932 : HOH
+B933 : HOH
+B934 : HOH
+B935 : HOH
+B936 : HOH
+B937 : HOH
+B938 : HOH
+B939 : HOH
+B940 : HOH
+B941 : HOH
+B942 : HOH
+B943 : HOH
+B944 : HOH
+B945 : HOH
+B946 : HOH
+B947 : HOH
+B948 : HOH
+B949 : HOH
+B950 : HOH
+B951 : HOH
+B952 : HOH
+B953 : HOH
+B954 : HOH
+B955 : HOH
+B956 : HOH
+B957 : HOH
+B958 : HOH
+B959 : HOH
+B960 : HOH
+B961 : HOH
+B962 : HOH
+B963 : HOH
+B964 : HOH
+B965 : HOH
+B966 : HOH
+B967 : HOH
+B968 : HOH
+B969 : HOH
+B970 : HOH
+B971 : HOH
+B972 : HOH
+B973 : HOH
+B974 : HOH
+B975 : HOH
+B976 : HOH
+B977 : HOH
+B978 : HOH
+B979 : HOH
+B980 : HOH
+B981 : HOH
+B982 : HOH
+B983 : HOH
+B984 : HOH
+B985 : HOH
+B986 : HOH
+B987 : HOH
+B988 : HOH
+B989 : HOH
+B990 : HOH
+B991 : HOH
+B992 : HOH
+B993 : HOH
+B994 : HOH
+B995 : HOH
+B996 : HOH
+B997 : HOH
+B998 : HOH
+B999 : HOH
+B1000 : HOH
+B1001 : HOH
+B1002 : HOH
+B1003 : HOH
+B1004 : HOH
+B1005 : HOH
+B1006 : HOH
+B1007 : HOH
+B1008 : HOH
+B1009 : HOH
+B1010 : HOH
+B1011 : HOH
+B1012 : HOH
+B1013 : HOH
+B1014 : HOH
+B1015 : HOH
+B1016 : HOH
+B1017 : HOH
+B1018 : HOH
+B1019 : HOH
+B1020 : HOH
+B1021 : HOH
+B1022 : HOH
+B1023 : HOH
+B1024 : HOH
+B1025 : HOH
+B1026 : HOH
+B1027 : HOH
+B1028 : HOH
+B1029 : HOH
+B1030 : HOH
+B1031 : HOH
+B1032 : HOH
+B1033 : HOH
+B1034 : HOH
+B1035 : HOH
+B1036 : HOH
+B1037 : HOH
+B1038 : HOH
+B1039 : HOH
+B1040 : HOH
+B1041 : HOH
+B1042 : HOH
+B1043 : HOH
+B1044 : HOH
+B1045 : HOH
+B1046 : HOH
+B1047 : HOH
+A101 : HOH
+A102 : HOH
+A103 : HOH
+A104 : HOH
+A105 : HOH
+A106 : HOH
+A107 : HOH
+A108 : HOH
+A109 : HOH
+A110 : HOH
+A111 : HOH
+A112 : HOH
+A113 : HOH
+A114 : HOH
+A115 : HOH
+A116 : HOH
+A117 : HOH
+A118 : HOH
+A119 : HOH
+A120 : HOH
+A121 : HOH
+A122 : HOH
+A123 : HOH
+A124 : HOH
+A125 : HOH
+A126 : HOH
+A127 : HOH
+A128 : HOH
+A129 : HOH
+A130 : HOH
+A131 : HOH
+A132 : HOH
+A133 : HOH
+A134 : HOH
+A135 : HOH
+A136 : HOH
+A137 : HOH
+A138 : HOH
+A139 : HOH
+A140 : HOH
+A141 : HOH
+A142 : HOH
+A143 : HOH
+A144 : HOH
+A145 : HOH
+A146 : HOH
+A147 : HOH
+A148 : HOH
+A149 : HOH
+A150 : HOH
+A151 : HOH
+A152 : HOH
+Adjacent stackings ----------------------------------------------
+B130-B131 : adjacent_5p upward 
+B131-B132 : adjacent_5p upward 
+B132-B133 : adjacent_5p upward 
+B133-B134 : adjacent_5p upward 
+B134-B135 : adjacent_5p upward 
+B136-B137 : adjacent_5p upward 
+B137-B138 : adjacent_5p upward 
+B138-B139 : adjacent_5p upward 
+B140-B141 : adjacent_5p upward 
+B141-B142 : adjacent_5p upward 
+B144-B145 : adjacent_5p upward 
+B145-B146 : adjacent_5p upward 
+B146-B147 : adjacent_5p upward 
+B148-B149 : adjacent_5p upward 
+B149-B150 : adjacent_5p upward 
+B150-B151 : adjacent_5p upward 
+B151-B152 : adjacent_5p upward 
+B153-B154 : adjacent_5p upward 
+B155-B156 : adjacent_5p upward 
+B156-B157 : adjacent_5p upward 
+B158-B159 : adjacent_5p upward 
+B159-B160 : adjacent_5p upward 
+B160-B161 : adjacent_5p upward 
+B161-B162 : adjacent_5p upward 
+B163-B164 : adjacent_5p upward 
+B164-B165 : adjacent_5p upward 
+B165-B166 : adjacent_5p upward 
+B166-B167 : adjacent_5p upward 
+B167-B168 : adjacent_5p upward 
+B168-B169 : adjacent_5p upward 
+B169-B170 : adjacent_5p upward 
+B170-B171 : adjacent_5p upward 
+B171-B172 : adjacent_5p upward 
+B172-B173 : adjacent_5p upward 
+B173-B174 : adjacent_5p upward 
+B174-B175 : adjacent_5p upward 
+B175-B176 : adjacent_5p upward 
+B176-B177 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+B136-B173 : outward 
+B144-B168 : outward 
+B147-B162 : inward 
+B148-B164 : outward 
+B154-B158 : outward 
+Number of stackings = 43
+Number of adjacent stackings = 38
+Number of non adjacent stackings = 5
+Base-pairs ------------------------------------------------------
+B131-B177 : G-C Ww/Ww pairing antiparallel cis XIX 
+B132-B176 : C-G Ww/Ww pairing antiparallel cis XIX 
+B133-B175 : U-A Ww/Ww pairing antiparallel cis XX 
+B134-B174 : C-G Ww/Ww pairing antiparallel cis XIX 
+B135-B173 : U-A Ww/Ww pairing antiparallel cis XX 
+B136-B172 : G-C Ww/Ww pairing antiparallel cis XIX 
+B137-B171 : U-G Ws/Ww pairing antiparallel cis XXVIII 
+B138-B170 : U-G Ws/Ww pairing antiparallel cis XXVIII 
+B139-B169 : U-A Ww/Ww pairing antiparallel cis XX 
+B144-B167 : G-C Ww/Ww pairing antiparallel cis XIX 
+B145-B166 : G-C Ww/Ww pairing antiparallel cis XIX 
+B146-B165 : U-G Ws/Ww pairing antiparallel cis XXVIII 
+B147-B163 : C-C Bh/O2P pairing 
+B147-B164 : C-A Ss/Hw O2'/Bh pairing antiparallel trans one_hbond 77 
+B148-B162 : A-G O2P/Ww O2P/Bs pairing 
+B148-B163 : A-C Hh/Ww pairing antiparallel trans XXV 
+B149-B162 : G-G Hw/Sw pairing antiparallel trans one_hbond 112 
+B150-B161 : G-A Ww/Ww pairing antiparallel cis VIII 
+B151-B160 : U-A Ww/Ww pairing antiparallel cis XX 
+B152-B159 : C-G Ww/Ww pairing antiparallel cis XIX 
+B153-B158 : C-G Ww/Ww pairing antiparallel cis XIX 
+B154-B156 : G-A O2'/Hh pairing 
+B154-B157 : G-A Ss/Hh Bs/O2P pairing antiparallel trans one_hbond 
diff --git a/MCdata/1duq_MC b/MCdata/1duq_MC
new file mode 100644
index 0000000000000000000000000000000000000000..c4c88060b544e1684855d9186b1d031fd6c50977
--- /dev/null
+++ b/MCdata/1duq_MC
@@ -0,0 +1,334 @@
+Residue conformations -------------------------------------------
+A101 : G C3p_endo anti
+A102 : C C3p_endo anti
+A103 : U C3p_endo anti
+A104 : G C3p_endo anti
+A105 : G C3p_endo anti
+A106 : G C3p_endo anti
+A107 : C C3p_endo anti
+A108 : G C3p_endo anti
+A109 : C C3p_endo anti
+A110 : A C3p_endo anti
+A111 : G C3p_endo anti
+A112 : G C3p_endo anti
+B117 : C C3p_endo anti
+B118 : C C3p_endo anti
+B119 : U C3p_endo anti
+B120 : G C3p_endo anti
+B121 : A C3p_endo anti
+B122 : C C3p_endo anti
+B123 : G C3p_endo anti
+B124 : G C1p_exo syn
+B125 : U C3p_endo anti
+B126 : A C3p_endo anti
+B127 : C C3p_endo anti
+B128 : A C3p_endo anti
+B129 : G C3p_endo anti
+B130 : C C3p_endo anti
+C201 : G C3p_endo anti
+C202 : C C3p_endo anti
+C203 : U C3p_endo anti
+C204 : G C3p_endo anti
+C205 : G C3p_endo anti
+C206 : G C3p_endo anti
+C207 : C C3p_endo anti
+C208 : G C3p_endo anti
+C209 : C C3p_endo anti
+C210 : A C3p_endo anti
+C211 : G C3p_endo anti
+C212 : G C3p_endo anti
+D217 : C C3p_endo anti
+D218 : C C3p_endo anti
+D219 : U C3p_endo anti
+D220 : G C3p_endo anti
+D221 : A C3p_endo anti
+D222 : C C3p_endo anti
+D223 : G C3p_endo anti
+D224 : G C4p_exo syn
+D225 : U C4p_exo anti
+D226 : A C3p_endo anti
+D227 : C C3p_endo anti
+D228 : A C3p_endo anti
+D229 : G C3p_endo anti
+D230 : C C3p_endo anti
+E301 : G C3p_endo anti
+E302 : C C3p_endo anti
+E303 : U C3p_endo anti
+E304 : G C3p_endo anti
+E305 : G C3p_endo anti
+E306 : G C3p_endo anti
+E307 : C C3p_endo anti
+E308 : G C3p_endo anti
+E309 : C C3p_endo anti
+E310 : A C3p_endo anti
+E311 : G C3p_endo anti
+E312 : G C3p_endo anti
+F317 : C C3p_endo anti
+F318 : C C3p_endo anti
+F319 : U C3p_endo anti
+F320 : G C3p_endo anti
+F321 : A C3p_endo anti
+F322 : C C3p_endo anti
+F323 : G C3p_endo anti
+F324 : G C1p_exo syn
+F325 : U C4p_exo anti
+F326 : A C3p_endo anti
+F327 : C C3p_endo anti
+F328 : A C3p_endo anti
+F329 : G C3p_endo anti
+F330 : C C3p_endo anti
+G401 : G C3p_endo anti
+G402 : C C3p_endo anti
+G403 : U C3p_endo anti
+G404 : G C3p_endo anti
+G405 : G C3p_endo anti
+G406 : G C3p_endo anti
+G407 : C C3p_endo anti
+G408 : G C3p_endo anti
+G409 : C C3p_endo anti
+G410 : A C3p_endo anti
+G411 : G C3p_endo anti
+G412 : G C3p_endo anti
+H417 : C C3p_endo anti
+H418 : C C3p_endo anti
+H419 : U C3p_endo anti
+H420 : G C3p_endo anti
+H421 : A C3p_endo anti
+H422 : C C3p_endo anti
+H423 : G C3p_endo anti
+H424 : G C4p_exo syn
+H425 : U C4p_exo anti
+H426 : A C3p_endo anti
+H427 : C C3p_endo anti
+H428 : A C3p_endo anti
+H429 : G C3p_endo anti
+H430 : C C3p_endo anti
+B911 : NA
+C904 : NA
+C906 : NA
+C913 : NA
+D901 : NA
+E912 : NA
+G905 : NA
+G914 : NA
+H902 : NA
+H903 : NA
+A506 : HOH
+A508 : HOH
+A509 : HOH
+A516 : HOH
+A538 : HOH
+A541 : HOH
+A548 : HOH
+A603 : HOH
+A605 : HOH
+A611 : HOH
+A619 : HOH
+B502 : HOH
+B503 : HOH
+B505 : HOH
+B510 : HOH
+B520 : HOH
+B522 : HOH
+B525 : HOH
+B526 : HOH
+B530 : HOH
+B531 : HOH
+B533 : HOH
+B535 : HOH
+B543 : HOH
+B546 : HOH
+B606 : HOH
+B617 : HOH
+B624 : HOH
+B625 : HOH
+C528 : HOH
+C532 : HOH
+C540 : HOH
+C631 : HOH
+C633 : HOH
+C637 : HOH
+D514 : HOH
+D517 : HOH
+D523 : HOH
+D542 : HOH
+D547 : HOH
+D601 : HOH
+D612 : HOH
+D616 : HOH
+D620 : HOH
+D623 : HOH
+D628 : HOH
+E507 : HOH
+E518 : HOH
+E521 : HOH
+E545 : HOH
+E607 : HOH
+E610 : HOH
+E613 : HOH
+F504 : HOH
+F511 : HOH
+F524 : HOH
+F527 : HOH
+F529 : HOH
+F536 : HOH
+F537 : HOH
+F539 : HOH
+F544 : HOH
+F614 : HOH
+F621 : HOH
+F626 : HOH
+F630 : HOH
+G512 : HOH
+G519 : HOH
+G608 : HOH
+G618 : HOH
+G622 : HOH
+G627 : HOH
+G632 : HOH
+G635 : HOH
+G636 : HOH
+H513 : HOH
+H515 : HOH
+H534 : HOH
+H602 : HOH
+H604 : HOH
+H609 : HOH
+H615 : HOH
+H629 : HOH
+Adjacent stackings ----------------------------------------------
+A101-A102 : adjacent_5p upward 
+A102-A103 : adjacent_5p upward 
+A103-A104 : adjacent_5p upward 
+A104-A105 : adjacent_5p upward 
+A105-A106 : adjacent_5p upward 
+A106-A107 : adjacent_5p upward 
+A107-A108 : adjacent_5p upward 
+A108-A109 : adjacent_5p upward 
+A110-A111 : adjacent_5p upward 
+A111-A112 : adjacent_5p upward 
+B117-B118 : adjacent_5p upward 
+B123-B124 : adjacent_5p inward 
+B126-B127 : adjacent_5p upward 
+B128-B129 : adjacent_5p upward 
+B129-B130 : adjacent_5p upward 
+C201-C202 : adjacent_5p upward 
+C202-C203 : adjacent_5p upward 
+C203-C204 : adjacent_5p upward 
+C204-C205 : adjacent_5p upward 
+C205-C206 : adjacent_5p upward 
+C206-C207 : adjacent_5p upward 
+C208-C209 : adjacent_5p upward 
+C210-C211 : adjacent_5p upward 
+C211-C212 : adjacent_5p upward 
+D217-D218 : adjacent_5p upward 
+D218-D219 : adjacent_5p upward 
+D219-D220 : adjacent_5p upward 
+D223-D224 : adjacent_5p inward 
+D228-D229 : adjacent_5p upward 
+D229-D230 : adjacent_5p upward 
+E301-E302 : adjacent_5p upward 
+E303-E304 : adjacent_5p upward 
+E304-E305 : adjacent_5p upward 
+E305-E306 : adjacent_5p upward 
+E306-E307 : adjacent_5p upward 
+E307-E308 : adjacent_5p upward 
+E308-E309 : adjacent_5p upward 
+E310-E311 : adjacent_5p upward 
+E311-E312 : adjacent_5p upward 
+F317-F318 : adjacent_5p upward 
+F323-F324 : adjacent_5p inward 
+F326-F327 : adjacent_5p upward 
+F328-F329 : adjacent_5p upward 
+F329-F330 : adjacent_5p upward 
+G401-G402 : adjacent_5p upward 
+G402-G403 : adjacent_5p upward 
+G403-G404 : adjacent_5p upward 
+G404-G405 : adjacent_5p upward 
+G405-G406 : adjacent_5p upward 
+G406-G407 : adjacent_5p upward 
+G407-G408 : adjacent_5p upward 
+G408-G409 : adjacent_5p upward 
+G410-G411 : adjacent_5p upward 
+G411-G412 : adjacent_5p upward 
+H417-H418 : adjacent_5p upward 
+H418-H419 : adjacent_5p upward 
+H419-H420 : adjacent_5p upward 
+H423-H424 : adjacent_5p inward 
+H427-H428 : adjacent_5p upward 
+H428-H429 : adjacent_5p upward 
+H429-H430 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A104-B128 : outward 
+A108-B123 : outward 
+A110-B120 : outward 
+A112-C201 : upward 
+B117-D230 : downward 
+B120-B122 : upward 
+B124-B126 : outward 
+C208-D223 : outward 
+C210-D220 : outward 
+D220-D222 : upward 
+D224-D226 : outward 
+E304-F328 : outward 
+E308-F323 : outward 
+E310-F320 : outward 
+E312-G401 : upward 
+F317-H430 : downward 
+F320-F322 : upward 
+F324-F326 : outward 
+G408-H423 : outward 
+G410-H420 : outward 
+H420-H422 : upward 
+H424-H426 : outward 
+Number of stackings = 83
+Number of adjacent stackings = 61
+Number of non adjacent stackings = 22
+Base-pairs ------------------------------------------------------
+A101-B130 : G-C Ww/Ww pairing antiparallel cis XIX 
+A102-B129 : C-G Ww/Ww pairing antiparallel cis XIX 
+A103-B128 : U-A Ww/Ww pairing antiparallel cis XX 
+A104-B127 : G-C Ww/Ww pairing antiparallel cis XIX 
+A105-B126 : G-A Ww/Ww pairing antiparallel cis VIII 
+A106-B124 : G-G Ww/Hh pairing parallel cis VI 
+A107-B123 : C-G Ww/Ww pairing antiparallel cis XIX 
+A108-B122 : G-C Ww/Ww pairing antiparallel cis XIX 
+A109-B120 : C-G Ww/Ww pairing antiparallel cis XIX 
+A110-B119 : A-U Ww/Ww pairing antiparallel cis XX 
+A111-B118 : G-C Ww/Ww pairing antiparallel cis XIX 
+A112-B117 : G-C Ww/Ww pairing antiparallel cis XIX 
+C202-D229 : C-G Ww/Ww pairing antiparallel cis 130 
+C203-D228 : U-A Ww/Ww pairing antiparallel cis XX 
+C204-D227 : G-C Ww/Ww pairing antiparallel cis XIX 
+C205-D226 : G-A Wh/Bs pairing antiparallel cis one_hbond 
+C206-D224 : G-G Ww/Hh pairing parallel cis VI 
+C207-D223 : C-G Ww/Ww pairing antiparallel cis XIX 
+C208-D222 : G-C Ww/Ww pairing antiparallel cis XIX 
+C209-D220 : C-G Ww/Ww pairing antiparallel cis XIX 
+C210-D219 : A-U Ww/Ww pairing antiparallel cis XX 
+C211-D218 : G-C Ww/Ww pairing antiparallel cis XIX 
+C212-D217 : G-C Ww/Ww pairing antiparallel cis XIX 
+D225-G408 : U-G Wh/Sw pairing antiparallel cis one_hbond 
+E301-F330 : G-C Ww/Ww pairing antiparallel cis XIX 
+E302-F329 : C-G Ww/Ww pairing antiparallel cis XIX 
+E303-F328 : U-A Ww/Ww pairing antiparallel cis XX 
+E304-F327 : G-C Ww/Ww pairing antiparallel cis XIX 
+E305-F326 : G-A Ww/Ww pairing antiparallel cis VIII 
+E306-F324 : G-G Ww/Hh pairing parallel cis VI 
+E307-F323 : C-G Ww/Ww pairing antiparallel cis XIX 
+E308-F322 : G-C Ww/Ww pairing antiparallel cis XIX 
+E309-F320 : C-G Ww/Ww pairing antiparallel cis XIX 
+E310-F319 : A-U Ww/Ww pairing antiparallel cis XX 
+E311-F318 : G-C Ww/Ww pairing antiparallel cis XIX 
+E312-F317 : G-C Ww/Ww pairing antiparallel cis XIX 
+G402-H429 : C-G Ww/Ww pairing antiparallel cis XIX 
+G403-H428 : U-A Ww/Ww pairing antiparallel cis XX 
+G404-H427 : G-C Ww/Ww pairing antiparallel cis XIX 
+G405-H426 : G-A Wh/Bs pairing antiparallel cis one_hbond 
+G406-H424 : G-G Ww/Hh pairing parallel cis VI 
+G407-H423 : C-G Ww/Ww pairing antiparallel cis XIX 
+G408-H422 : G-C Ww/Ww pairing antiparallel cis XIX 
+G409-H420 : C-G Ww/Ww pairing antiparallel cis XIX 
+G410-H419 : A-U Ww/Ww pairing antiparallel cis XX 
+G411-H418 : G-C Ww/Ww pairing antiparallel cis XIX 
+G412-H417 : G-C Ww/Ww pairing antiparallel cis XIX 
diff --git a/MCdata/1dv4_MC b/MCdata/1dv4_MC
new file mode 100644
index 0000000000000000000000000000000000000000..e7cad7240cc3961070fb8498e538c5d79ec8f7f2
--- /dev/null
+++ b/MCdata/1dv4_MC
@@ -0,0 +1,650 @@
+Residue conformations -------------------------------------------
+A1 : N
+A2 : N
+A3 : N
+A4 : N
+A5 : N
+A6 : N
+A7 : N
+A8 : N
+A9 : N
+A10 : N
+A11 : N
+A12 : N
+A13 : N
+A14 : N
+A15 : N
+A16 : N
+A17 : N
+A18 : N
+A19 : N
+A20 : N
+A21 : N
+A22 : N
+A23 : N
+A24 : N
+A25 : N
+A26 : N
+A27 : N
+A28 : N
+A29 : N
+A30 : N
+A31 : N
+A32 : N
+A33 : N
+A34 : N
+A35 : N
+A36 : N
+A37 : N
+A38 : N
+A39 : N
+A40 : N
+A41 : N
+A42 : N
+A43 : N
+A44 : N
+A45 : N
+A46 : N
+A47 : N
+A48 : N
+A49 : N
+A50 : N
+A51 : N
+A52 : N
+A53 : N
+A54 : N
+A55 : N
+A56 : N
+A57 : N
+A58 : N
+A59 : N
+A60 : N
+A61 : N
+A62 : N
+A63 : N
+A64 : N
+A65 : N
+A66 : N
+A67 : N
+A68 : N
+A69 : N
+A70 : N
+A71 : N
+A72 : N
+A73 : N
+A74 : N
+A75 : N
+A76 : N
+A77 : N
+A78 : N
+A79 : N
+A80 : N
+A81 : N
+A82 : N
+A83 : N
+A84 : N
+A85 : N
+A86 : N
+A87 : N
+A88 : N
+A89 : N
+A90 : N
+A91 : N
+A92 : N
+A93 : N
+A94 : N
+A95 : N
+A96 : N
+A97 : N
+A98 : N
+A99 : N
+A100 : N
+A101 : N
+A102 : N
+A103 : N
+A104 : N
+A105 : N
+A106 : N
+A107 : N
+A108 : N
+A109 : N
+A110 : N
+A111 : N
+A112 : N
+A113 : N
+A114 : N
+A115 : N
+A116 : N
+A117 : N
+A118 : N
+A119 : N
+A120 : N
+A121 : N
+A122 : N
+A123 : N
+A124 : N
+A125 : N
+A126 : N
+A127 : N
+A128 : N
+A129 : N
+A130 : N
+A131 : N
+A132 : N
+A133 : N
+A134 : N
+A135 : N
+A136 : N
+A137 : N
+A138 : N
+A139 : N
+A140 : N
+A141 : N
+A142 : N
+A143 : N
+A144 : N
+A145 : N
+A146 : N
+A147 : N
+A148 : N
+A149 : N
+A150 : N
+A151 : N
+A152 : N
+A153 : N
+A154 : N
+A155 : N
+A156 : N
+A157 : N
+A158 : N
+A159 : N
+A160 : N
+A161 : N
+A162 : N
+A163 : N
+A164 : N
+A165 : N
+A166 : N
+A167 : N
+A168 : N
+A169 : N
+A170 : N
+A171 : N
+A172 : N
+A173 : N
+A174 : N
+A175 : N
+A176 : N
+A177 : N
+A178 : N
+A179 : N
+A180 : N
+A181 : N
+A182 : N
+A183 : N
+A184 : N
+A185 : N
+A186 : N
+A187 : N
+A188 : N
+A189 : N
+A190 : N
+A191 : N
+A193 : N
+A194 : N
+A195 : N
+A196 : N
+A197 : N
+A198 : N
+A199 : N
+A200 : N
+A201 : N
+A202 : N
+A203 : N
+A204 : N
+A205 : N
+A206 : N
+A207 : N
+A208 : N
+A209 : N
+A210 : N
+A211 : N
+A212 : N
+A213 : N
+A214 : N
+A215 : N
+A216 : N
+A217 : N
+A218 : N
+A219 : N
+A220 : N
+A221 : N
+A222 : N
+A223 : N
+A224 : N
+A225 : N
+A226 : N
+A227 : N
+A228 : N
+A229 : N
+A230 : N
+A231 : N
+A232 : N
+A233 : N
+A234 : N
+A235 : N
+A236 : N
+A237 : N
+A238 : N
+A239 : N
+A240 : N
+A241 : N
+A242 : N
+A243 : N
+A244 : N
+A245 : N
+A246 : N
+A247 : N
+A248 : N
+A249 : N
+A250 : N
+A251 : N
+A252 : N
+A253 : N
+A254 : N
+A255 : N
+A256 : N
+A257 : N
+A258 : N
+A259 : N
+A260 : N
+A261 : N
+A262 : N
+A263 : N
+A264 : N
+A265 : N
+A266 : N
+A267 : N
+A268 : N
+A269 : N
+A270 : N
+A271 : N
+A272 : N
+A273 : N
+A274 : N
+A275 : N
+A276 : N
+A277 : N
+A278 : N
+A279 : N
+A280 : N
+A281 : N
+A282 : N
+A283 : N
+A284 : N
+A285 : N
+A286 : N
+A287 : N
+A288 : N
+A289 : N
+A290 : N
+A291 : N
+A292 : N
+A293 : N
+A294 : N
+A295 : N
+A296 : N
+A297 : N
+A298 : N
+A299 : N
+A300 : N
+A301 : N
+A302 : N
+A303 : N
+A304 : N
+A305 : N
+A306 : N
+A307 : N
+A308 : N
+A309 : N
+A310 : N
+A311 : N
+A312 : N
+A313 : N
+A314 : N
+A315 : N
+A316 : N
+A317 : N
+A318 : N
+A319 : N
+A320 : N
+A321 : N
+A322 : N
+A323 : N
+A324 : N
+A325 : N
+A326 : N
+A327 : N
+A328 : N
+A329 : N
+A330 : N
+A331 : N
+A332 : N
+A333 : N
+A334 : N
+A335 : N
+A336 : N
+A337 : N
+A338 : N
+A339 : N
+A340 : N
+A341 : N
+A342 : N
+A343 : N
+A344 : N
+A345 : N
+A346 : N
+A347 : N
+A348 : N
+A350 : N
+A351 : N
+A352 : N
+A353 : N
+A354 : N
+A355 : N
+A356 : N
+A357 : N
+A358 : N
+A359 : N
+A360 : N
+A361 : N
+A362 : N
+A363 : N
+A364 : N
+E24 : ILE
+E25 : ASN
+E26 : PRO
+E27 : ASN
+E28 : LYS
+E29 : LEU
+E30 : GLU
+E31 : LEU
+E32 : GLU
+E33 : GLU
+E34 : ARG
+E35 : VAL
+E36 : VAL
+E37 : ALA
+E38 : VAL
+E39 : ASN
+E40 : ARG
+E41 : VAL
+E42 : ALA
+E43 : LYS
+E44 : VAL
+E45 : VAL
+E46 : LYS
+E47 : GLY
+E48 : GLY
+E49 : ARG
+E50 : ARG
+E51 : LEU
+E52 : ARG
+E53 : PHE
+E54 : SER
+E55 : ALA
+E56 : LEU
+E57 : VAL
+E58 : VAL
+E59 : VAL
+E60 : GLY
+E61 : ASP
+E62 : LYS
+E63 : ASN
+E64 : GLY
+E65 : HIS
+E66 : VAL
+E67 : GLY
+E68 : PHE
+E69 : GLY
+E70 : THR
+E71 : GLY
+E72 : LYS
+E73 : ALA
+E74 : GLN
+E75 : GLU
+E76 : VAL
+E77 : PRO
+E78 : GLU
+E79 : ALA
+E80 : ILE
+E81 : ARG
+E82 : LYS
+E83 : ALA
+E84 : ILE
+E85 : GLU
+E86 : ASP
+E87 : ALA
+E88 : LYS
+E89 : LYS
+E90 : ASN
+E91 : LEU
+E92 : ILE
+E93 : GLU
+E94 : VAL
+E95 : PRO
+E96 : ILE
+E97 : VAL
+E98 : GLY
+E99 : THR
+E100 : THR
+E101 : ILE
+E102 : PRO
+E103 : HIS
+E104 : GLU
+E105 : VAL
+E106 : ILE
+E107 : GLY
+E108 : HIS
+E109 : PHE
+E110 : GLY
+E111 : ALA
+E112 : GLY
+E113 : GLU
+E114 : ILE
+E115 : ILE
+E116 : LEU
+E117 : LYS
+E118 : PRO
+E119 : ALA
+E120 : SER
+E121 : GLU
+E122 : GLY
+E123 : THR
+E124 : GLY
+E125 : VAL
+E126 : ILE
+E127 : ALA
+E128 : GLY
+E129 : GLY
+E130 : PRO
+E131 : ALA
+E132 : ARG
+E133 : ALA
+E134 : VAL
+E135 : LEU
+E136 : GLU
+E137 : LEU
+E138 : ALA
+E139 : GLY
+E140 : ILE
+E141 : SER
+E142 : ASP
+E143 : ILE
+E144 : LEU
+E145 : SER
+E146 : LYS
+E147 : SER
+E148 : ILE
+E149 : GLY
+E150 : SER
+E151 : ASN
+E152 : THR
+E153 : PRO
+E154 : ILE
+E155 : ASN
+E156 : MET
+E157 : VAL
+E158 : ARG
+E159 : ALA
+E160 : THR
+E161 : PHE
+E162 : ASP
+E163 : GLY
+E164 : LEU
+E165 : LYS
+E166 : GLN
+E167 : LEU
+E168 : LYS
+G12 : LEU
+G13 : GLN
+G14 : PRO
+G15 : ASP
+G16 : LEU
+G17 : VAL
+G18 : TYR
+G19 : GLY
+G20 : ASP
+G21 : VAL
+G22 : LEU
+G23 : VAL
+G24 : THR
+G25 : ALA
+G26 : PHE
+G27 : ILE
+G28 : ASN
+G29 : LYS
+G30 : ILE
+G31 : MET
+G32 : ARG
+G33 : ASP
+G34 : GLY
+G35 : LYS
+G36 : LYS
+G37 : ASN
+G38 : LEU
+G39 : ALA
+G40 : ALA
+G41 : ARG
+G42 : ILE
+G43 : PHE
+G44 : TYR
+G45 : ASP
+G46 : ALA
+G47 : CYS
+G48 : LYS
+G49 : ILE
+G50 : ILE
+G51 : GLN
+G52 : GLU
+G53 : LYS
+G54 : THR
+G55 : GLY
+G56 : GLN
+G57 : GLU
+G58 : PRO
+G59 : LEU
+G60 : LYS
+G61 : VAL
+G62 : PHE
+G63 : LYS
+G64 : GLN
+G65 : ALA
+G66 : VAL
+G67 : GLU
+G68 : ASN
+G69 : VAL
+G70 : LYS
+G71 : PRO
+G72 : ARG
+G73 : MET
+G74 : GLU
+G75 : VAL
+G76 : ARG
+G77 : SER
+G78 : ARG
+G79 : ARG
+G80 : VAL
+G81 : GLY
+G82 : GLY
+G83 : ALA
+G84 : ASN
+G85 : TYR
+G86 : GLN
+G87 : VAL
+G88 : PRO
+G89 : MET
+G90 : GLU
+G91 : VAL
+G92 : SER
+G93 : PRO
+G94 : ARG
+G95 : ARG
+G96 : GLN
+G97 : GLN
+G98 : SER
+G99 : LEU
+G100 : ALA
+G101 : LEU
+G102 : ARG
+G103 : TRP
+G104 : LEU
+G105 : VAL
+G106 : GLN
+G107 : ALA
+G108 : ALA
+G109 : ASN
+G110 : GLN
+G111 : ARG
+G112 : PRO
+G113 : GLU
+G114 : ARG
+G115 : ARG
+G116 : ALA
+G117 : ALA
+G118 : VAL
+G119 : ARG
+G120 : ILE
+G121 : ALA
+G122 : HIS
+G123 : GLU
+G124 : LEU
+G125 : MET
+G126 : ASP
+G127 : ALA
+G128 : ALA
+G129 : GLU
+G130 : GLY
+G131 : LYS
+G132 : GLY
+G133 : GLY
+G134 : ALA
+G135 : VAL
+G136 : LYS
+G137 : LYS
+G138 : LYS
+G139 : GLU
+G140 : ASP
+G141 : VAL
+G142 : GLU
+G143 : ARG
+G144 : MET
+G145 : ALA
+G146 : GLU
+E1 : WO2
+Adjacent stackings ----------------------------------------------
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 0
+Number of adjacent stackings = 0
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
diff --git a/MCdata/1dz5_MC b/MCdata/1dz5_MC
new file mode 100644
index 0000000000000000000000000000000000000000..2898a069d16d3d52f1d9f287089e080881c4c8c2
--- /dev/null
+++ b/MCdata/1dz5_MC
@@ -0,0 +1,3903 @@
+Residue conformations -------------------------------------------
+A1 : ALA
+A2 : VAL
+A3 : PRO
+A4 : GLU
+A5 : THR
+A6 : ARG
+A7 : PRO
+A8 : ASN
+A9 : HIS
+A10 : THR
+A11 : ILE
+A12 : TYR
+A13 : ILE
+A14 : ASN
+A15 : ASN
+A16 : LEU
+A17 : ASN
+A18 : GLU
+A19 : LYS
+A20 : ILE
+A21 : LYS
+A22 : LYS
+A23 : ASP
+A24 : GLU
+A25 : LEU
+A26 : LYS
+A27 : LYS
+A28 : SER
+A29 : LEU
+A30 : HIS
+A31 : ALA
+A32 : ILE
+A33 : PHE
+A34 : SER
+A35 : ARG
+A36 : PHE
+A37 : GLY
+A38 : GLN
+A39 : ILE
+A40 : LEU
+A41 : ASP
+A42 : ILE
+A43 : LEU
+A44 : VAL
+A45 : SER
+A46 : ARG
+A47 : SER
+A48 : LEU
+A49 : LYS
+A50 : MET
+A51 : ARG
+A52 : GLY
+A53 : GLN
+A54 : ALA
+A55 : PHE
+A56 : VAL
+A57 : ILE
+A58 : PHE
+A59 : LYS
+A60 : GLU
+A61 : VAL
+A62 : SER
+A63 : SER
+A64 : ALA
+A65 : THR
+A66 : ASN
+A67 : ALA
+A68 : LEU
+A69 : ARG
+A70 : SER
+A71 : MET
+A72 : GLN
+A73 : GLY
+A74 : PHE
+A75 : PRO
+A76 : PHE
+A77 : TYR
+A78 : ASP
+A79 : LYS
+A80 : PRO
+A81 : MET
+A82 : ARG
+A83 : ILE
+A84 : GLN
+A85 : TYR
+A86 : ALA
+A87 : LYS
+A88 : THR
+A89 : ASP
+A90 : SER
+A91 : ASP
+A92 : ILE
+A93 : ILE
+A94 : ALA
+A95 : LYS
+A96 : MET
+A97 : LYS
+A98 : GLY
+A99 : THR
+A100 : PHE
+A101 : VAL
+B1 : ALA
+B2 : VAL
+B3 : PRO
+B4 : GLU
+B5 : THR
+B6 : ARG
+B7 : PRO
+B8 : ASN
+B9 : HIS
+B10 : THR
+B11 : ILE
+B12 : TYR
+B13 : ILE
+B14 : ASN
+B15 : ASN
+B16 : LEU
+B17 : ASN
+B18 : GLU
+B19 : LYS
+B20 : ILE
+B21 : LYS
+B22 : LYS
+B23 : ASP
+B24 : GLU
+B25 : LEU
+B26 : LYS
+B27 : LYS
+B28 : SER
+B29 : LEU
+B30 : HIS
+B31 : ALA
+B32 : ILE
+B33 : PHE
+B34 : SER
+B35 : ARG
+B36 : PHE
+B37 : GLY
+B38 : GLN
+B39 : ILE
+B40 : LEU
+B41 : ASP
+B42 : ILE
+B43 : LEU
+B44 : VAL
+B45 : SER
+B46 : ARG
+B47 : SER
+B48 : LEU
+B49 : LYS
+B50 : MET
+B51 : ARG
+B52 : GLY
+B53 : GLN
+B54 : ALA
+B55 : PHE
+B56 : VAL
+B57 : ILE
+B58 : PHE
+B59 : LYS
+B60 : GLU
+B61 : VAL
+B62 : SER
+B63 : SER
+B64 : ALA
+B65 : THR
+B66 : ASN
+B67 : ALA
+B68 : LEU
+B69 : ARG
+B70 : SER
+B71 : MET
+B72 : GLN
+B73 : GLY
+B74 : PHE
+B75 : PRO
+B76 : PHE
+B77 : TYR
+B78 : ASP
+B79 : LYS
+B80 : PRO
+B81 : MET
+B82 : ARG
+B83 : ILE
+B84 : GLN
+B85 : TYR
+B86 : ALA
+B87 : LYS
+B88 : THR
+B89 : ASP
+B90 : SER
+B91 : ASP
+B92 : ILE
+B93 : ILE
+B94 : ALA
+B95 : LYS
+B96 : MET
+B97 : LYS
+B98 : GLY
+B99 : THR
+B100 : PHE
+B101 : VAL
+C8 : G C2p_exo anti
+C9 : A C2p_exo anti
+C10 : G C2p_exo anti
+C11 : A C2p_exo anti
+C12 : C C3p_endo anti
+C13 : A C2p_exo anti
+C14 : U C2p_exo anti
+C15 : U C2p_endo anti
+C16 : G C2p_exo anti
+C17 : C C1p_exo anti
+C18 : A C3p_endo anti
+C19 : C C2p_exo anti
+C20 : C C2p_exo anti
+C21 : C C2p_exo anti
+C22 : G C3p_endo anti
+C23 : G C2p_exo anti
+C24 : A C3p_endo anti
+C25 : G C3p_endo anti
+C26 : U C3p_endo anti
+C27 : C C3p_endo anti
+C28 : U C3p_endo anti
+C29 : C C2p_exo anti
+D34 : G C2p_exo anti
+D35 : A C2p_exo anti
+D36 : G C2p_exo anti
+D37 : A C2p_exo anti
+D38 : C C3p_endo anti
+D39 : A C2p_exo anti
+D40 : U C2p_exo anti
+D41 : U C2p_endo anti
+D42 : G C2p_exo anti
+D43 : C C1p_exo anti
+D44 : A C3p_endo anti
+D45 : C C2p_exo anti
+D46 : C C2p_exo anti
+D47 : C C2p_exo anti
+D48 : G C3p_endo anti
+D49 : G C2p_exo anti
+D50 : A C3p_endo anti
+D51 : G C3p_endo anti
+D52 : U C3p_endo anti
+D53 : C C3p_endo anti
+D54 : U C3p_endo anti
+D55 : C C2p_exo anti
+Adjacent stackings ----------------------------------------------
+C8-C9 : adjacent_5p upward 
+C9-C10 : adjacent_5p upward 
+C10-C11 : adjacent_5p upward 
+C11-C12 : adjacent_5p upward 
+C12-C13 : adjacent_5p upward 
+C13-C14 : adjacent_5p upward 
+C18-C19 : adjacent_5p upward 
+C20-C21 : adjacent_5p upward 
+C22-C23 : adjacent_5p upward 
+C23-C24 : adjacent_5p upward 
+C25-C26 : adjacent_5p upward 
+C26-C27 : adjacent_5p upward 
+C27-C28 : adjacent_5p upward 
+D34-D35 : adjacent_5p upward 
+D35-D36 : adjacent_5p upward 
+D36-D37 : adjacent_5p upward 
+D37-D38 : adjacent_5p upward 
+D38-D39 : adjacent_5p upward 
+D39-D40 : adjacent_5p upward 
+D44-D45 : adjacent_5p upward 
+D46-D47 : adjacent_5p upward 
+D48-D49 : adjacent_5p upward 
+D49-D50 : adjacent_5p upward 
+D51-D52 : adjacent_5p upward 
+D52-D53 : adjacent_5p upward 
+D53-D54 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+C13-D51 : outward 
+C22-D48 : outward 
+C25-D39 : outward 
+Number of stackings = 29
+Number of adjacent stackings = 26
+Number of non adjacent stackings = 3
+Base-pairs ------------------------------------------------------
+A88-D43 : THR-C pairing one_hbond 
+B88-C17 : THR-C pairing one_hbond 
+C8-D55 : G-C Ww/Ww pairing antiparallel cis XIX 
+C9-D54 : A-U Ww/Ww pairing antiparallel cis XX 
+C10-D53 : G-C Ww/Ww pairing antiparallel cis XIX 
+C11-D52 : A-U Ww/Ww pairing antiparallel cis XX 
+C12-D51 : C-G Ww/Ww pairing antiparallel cis XIX 
+C19-C20 : C-C O2P/Hh adjacent_5p pairing 
+C20-D49 : C-G Ww/Ww pairing antiparallel cis XIX 
+C21-D48 : C-G Ww/Ww pairing antiparallel cis XIX 
+C22-D47 : G-C Ww/Ww pairing antiparallel cis XIX 
+C23-D46 : G-C Ww/Ww pairing antiparallel cis XIX 
+C25-D38 : G-C Ww/Ww pairing antiparallel cis XIX 
+C26-D37 : U-A Ww/Ww pairing antiparallel cis XX 
+C27-D36 : C-G Ww/Ww pairing antiparallel cis XIX 
+C28-D35 : U-A Ww/Ww pairing antiparallel cis XX 
+C29-D34 : C-G Ww/Ww pairing antiparallel cis XIX 
+D45-D46 : C-C O2P/Hh adjacent_5p pairing 
+Residue conformations -------------------------------------------
+A1 : ALA
+A2 : VAL
+A3 : PRO
+A4 : GLU
+A5 : THR
+A6 : ARG
+A7 : PRO
+A8 : ASN
+A9 : HIS
+A10 : THR
+A11 : ILE
+A12 : TYR
+A13 : ILE
+A14 : ASN
+A15 : ASN
+A16 : LEU
+A17 : ASN
+A18 : GLU
+A19 : LYS
+A20 : ILE
+A21 : LYS
+A22 : LYS
+A23 : ASP
+A24 : GLU
+A25 : LEU
+A26 : LYS
+A27 : LYS
+A28 : SER
+A29 : LEU
+A30 : HIS
+A31 : ALA
+A32 : ILE
+A33 : PHE
+A34 : SER
+A35 : ARG
+A36 : PHE
+A37 : GLY
+A38 : GLN
+A39 : ILE
+A40 : LEU
+A41 : ASP
+A42 : ILE
+A43 : LEU
+A44 : VAL
+A45 : SER
+A46 : ARG
+A47 : SER
+A48 : LEU
+A49 : LYS
+A50 : MET
+A51 : ARG
+A52 : GLY
+A53 : GLN
+A54 : ALA
+A55 : PHE
+A56 : VAL
+A57 : ILE
+A58 : PHE
+A59 : LYS
+A60 : GLU
+A61 : VAL
+A62 : SER
+A63 : SER
+A64 : ALA
+A65 : THR
+A66 : ASN
+A67 : ALA
+A68 : LEU
+A69 : ARG
+A70 : SER
+A71 : MET
+A72 : GLN
+A73 : GLY
+A74 : PHE
+A75 : PRO
+A76 : PHE
+A77 : TYR
+A78 : ASP
+A79 : LYS
+A80 : PRO
+A81 : MET
+A82 : ARG
+A83 : ILE
+A84 : GLN
+A85 : TYR
+A86 : ALA
+A87 : LYS
+A88 : THR
+A89 : ASP
+A90 : SER
+A91 : ASP
+A92 : ILE
+A93 : ILE
+A94 : ALA
+A95 : LYS
+A96 : MET
+A97 : LYS
+A98 : GLY
+A99 : THR
+A100 : PHE
+A101 : VAL
+B1 : ALA
+B2 : VAL
+B3 : PRO
+B4 : GLU
+B5 : THR
+B6 : ARG
+B7 : PRO
+B8 : ASN
+B9 : HIS
+B10 : THR
+B11 : ILE
+B12 : TYR
+B13 : ILE
+B14 : ASN
+B15 : ASN
+B16 : LEU
+B17 : ASN
+B18 : GLU
+B19 : LYS
+B20 : ILE
+B21 : LYS
+B22 : LYS
+B23 : ASP
+B24 : GLU
+B25 : LEU
+B26 : LYS
+B27 : LYS
+B28 : SER
+B29 : LEU
+B30 : HIS
+B31 : ALA
+B32 : ILE
+B33 : PHE
+B34 : SER
+B35 : ARG
+B36 : PHE
+B37 : GLY
+B38 : GLN
+B39 : ILE
+B40 : LEU
+B41 : ASP
+B42 : ILE
+B43 : LEU
+B44 : VAL
+B45 : SER
+B46 : ARG
+B47 : SER
+B48 : LEU
+B49 : LYS
+B50 : MET
+B51 : ARG
+B52 : GLY
+B53 : GLN
+B54 : ALA
+B55 : PHE
+B56 : VAL
+B57 : ILE
+B58 : PHE
+B59 : LYS
+B60 : GLU
+B61 : VAL
+B62 : SER
+B63 : SER
+B64 : ALA
+B65 : THR
+B66 : ASN
+B67 : ALA
+B68 : LEU
+B69 : ARG
+B70 : SER
+B71 : MET
+B72 : GLN
+B73 : GLY
+B74 : PHE
+B75 : PRO
+B76 : PHE
+B77 : TYR
+B78 : ASP
+B79 : LYS
+B80 : PRO
+B81 : MET
+B82 : ARG
+B83 : ILE
+B84 : GLN
+B85 : TYR
+B86 : ALA
+B87 : LYS
+B88 : THR
+B89 : ASP
+B90 : SER
+B91 : ASP
+B92 : ILE
+B93 : ILE
+B94 : ALA
+B95 : LYS
+B96 : MET
+B97 : LYS
+B98 : GLY
+B99 : THR
+B100 : PHE
+B101 : VAL
+C8 : G C2p_exo anti
+C9 : A C2p_exo anti
+C10 : G C2p_exo anti
+C11 : A C3p_endo anti
+C12 : C C3p_endo anti
+C13 : A C2p_exo anti
+C14 : U C2p_exo anti
+C15 : U C2p_endo anti
+C16 : G C2p_exo anti
+C17 : C C1p_exo anti
+C18 : A C1p_exo anti
+C19 : C C2p_exo anti
+C20 : C C2p_exo anti
+C21 : C C2p_exo anti
+C22 : G C3p_endo anti
+C23 : G C2p_exo anti
+C24 : A C3p_endo anti
+C25 : G C3p_endo anti
+C26 : U C3p_endo anti
+C27 : C C3p_endo anti
+C28 : U C3p_endo anti
+C29 : C C2p_exo anti
+D34 : G C2p_exo anti
+D35 : A C2p_exo anti
+D36 : G C2p_exo anti
+D37 : A C3p_endo anti
+D38 : C C3p_endo anti
+D39 : A C2p_exo anti
+D40 : U C2p_exo anti
+D41 : U C2p_endo anti
+D42 : G C2p_exo anti
+D43 : C C1p_exo anti
+D44 : A C1p_exo anti
+D45 : C C2p_exo anti
+D46 : C C2p_exo anti
+D47 : C C2p_exo anti
+D48 : G C3p_endo anti
+D49 : G C2p_exo anti
+D50 : A C3p_endo anti
+D51 : G C3p_endo anti
+D52 : U C3p_endo anti
+D53 : C C3p_endo anti
+D54 : U C3p_endo anti
+D55 : C C2p_exo anti
+Adjacent stackings ----------------------------------------------
+C8-C9 : adjacent_5p upward 
+C9-C10 : adjacent_5p upward 
+C10-C11 : adjacent_5p upward 
+C11-C12 : adjacent_5p upward 
+C12-C13 : adjacent_5p upward 
+C13-C14 : adjacent_5p upward 
+C18-C19 : adjacent_5p upward pairing 
+C20-C21 : adjacent_5p upward 
+C22-C23 : adjacent_5p upward 
+C23-C24 : adjacent_5p upward 
+C25-C26 : adjacent_5p upward 
+C27-C28 : adjacent_5p upward 
+D34-D35 : adjacent_5p upward 
+D35-D36 : adjacent_5p upward 
+D36-D37 : adjacent_5p upward 
+D37-D38 : adjacent_5p upward 
+D38-D39 : adjacent_5p upward 
+D39-D40 : adjacent_5p upward 
+D44-D45 : adjacent_5p upward pairing 
+D46-D47 : adjacent_5p upward 
+D48-D49 : adjacent_5p upward 
+D49-D50 : adjacent_5p upward 
+D51-D52 : adjacent_5p upward 
+D53-D54 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+C13-D51 : outward 
+C22-D48 : outward 
+C25-D39 : outward 
+Number of stackings = 27
+Number of adjacent stackings = 24
+Number of non adjacent stackings = 3
+Base-pairs ------------------------------------------------------
+A14-D42 : ASN-G pairing one_hbond 
+B14-C16 : ASN-G pairing one_hbond 
+C8-D55 : G-C Ww/Ww pairing antiparallel cis XIX 
+C9-D54 : A-U Ww/Ww pairing antiparallel cis XX 
+C10-D53 : G-C Ww/Ww pairing antiparallel cis XIX 
+C11-D52 : A-U Ww/Ww pairing antiparallel cis XX 
+C12-D51 : C-G Ww/Ww pairing antiparallel cis XIX 
+C18-C19 : A-C O2'/Hh adjacent_5p upward pairing 
+C19-D50 : C-A O2P/Ww pairing 
+C20-D49 : C-G Ww/Ww pairing antiparallel cis XIX 
+C21-D48 : C-G Ww/Ww pairing antiparallel cis XIX 
+C22-D47 : G-C Ww/Ww pairing antiparallel cis XIX 
+C23-D46 : G-C Ww/Ww pairing antiparallel cis XIX 
+C24-D45 : A-C Ww/O2P pairing 
+C25-D38 : G-C Ww/Ww pairing antiparallel cis XIX 
+C26-D37 : U-A Ww/Ww pairing antiparallel cis XX 
+C27-D36 : C-G Ww/Ww pairing antiparallel cis XIX 
+C28-D35 : U-A Ww/Ww pairing antiparallel cis XX 
+C29-D34 : C-G Ww/Ww pairing antiparallel cis XIX 
+D44-D45 : A-C O2'/Hh adjacent_5p upward pairing 
+Residue conformations -------------------------------------------
+A1 : ALA
+A2 : VAL
+A3 : PRO
+A4 : GLU
+A5 : THR
+A6 : ARG
+A7 : PRO
+A8 : ASN
+A9 : HIS
+A10 : THR
+A11 : ILE
+A12 : TYR
+A13 : ILE
+A14 : ASN
+A15 : ASN
+A16 : LEU
+A17 : ASN
+A18 : GLU
+A19 : LYS
+A20 : ILE
+A21 : LYS
+A22 : LYS
+A23 : ASP
+A24 : GLU
+A25 : LEU
+A26 : LYS
+A27 : LYS
+A28 : SER
+A29 : LEU
+A30 : HIS
+A31 : ALA
+A32 : ILE
+A33 : PHE
+A34 : SER
+A35 : ARG
+A36 : PHE
+A37 : GLY
+A38 : GLN
+A39 : ILE
+A40 : LEU
+A41 : ASP
+A42 : ILE
+A43 : LEU
+A44 : VAL
+A45 : SER
+A46 : ARG
+A47 : SER
+A48 : LEU
+A49 : LYS
+A50 : MET
+A51 : ARG
+A52 : GLY
+A53 : GLN
+A54 : ALA
+A55 : PHE
+A56 : VAL
+A57 : ILE
+A58 : PHE
+A59 : LYS
+A60 : GLU
+A61 : VAL
+A62 : SER
+A63 : SER
+A64 : ALA
+A65 : THR
+A66 : ASN
+A67 : ALA
+A68 : LEU
+A69 : ARG
+A70 : SER
+A71 : MET
+A72 : GLN
+A73 : GLY
+A74 : PHE
+A75 : PRO
+A76 : PHE
+A77 : TYR
+A78 : ASP
+A79 : LYS
+A80 : PRO
+A81 : MET
+A82 : ARG
+A83 : ILE
+A84 : GLN
+A85 : TYR
+A86 : ALA
+A87 : LYS
+A88 : THR
+A89 : ASP
+A90 : SER
+A91 : ASP
+A92 : ILE
+A93 : ILE
+A94 : ALA
+A95 : LYS
+A96 : MET
+A97 : LYS
+A98 : GLY
+A99 : THR
+A100 : PHE
+A101 : VAL
+B1 : ALA
+B2 : VAL
+B3 : PRO
+B4 : GLU
+B5 : THR
+B6 : ARG
+B7 : PRO
+B8 : ASN
+B9 : HIS
+B10 : THR
+B11 : ILE
+B12 : TYR
+B13 : ILE
+B14 : ASN
+B15 : ASN
+B16 : LEU
+B17 : ASN
+B18 : GLU
+B19 : LYS
+B20 : ILE
+B21 : LYS
+B22 : LYS
+B23 : ASP
+B24 : GLU
+B25 : LEU
+B26 : LYS
+B27 : LYS
+B28 : SER
+B29 : LEU
+B30 : HIS
+B31 : ALA
+B32 : ILE
+B33 : PHE
+B34 : SER
+B35 : ARG
+B36 : PHE
+B37 : GLY
+B38 : GLN
+B39 : ILE
+B40 : LEU
+B41 : ASP
+B42 : ILE
+B43 : LEU
+B44 : VAL
+B45 : SER
+B46 : ARG
+B47 : SER
+B48 : LEU
+B49 : LYS
+B50 : MET
+B51 : ARG
+B52 : GLY
+B53 : GLN
+B54 : ALA
+B55 : PHE
+B56 : VAL
+B57 : ILE
+B58 : PHE
+B59 : LYS
+B60 : GLU
+B61 : VAL
+B62 : SER
+B63 : SER
+B64 : ALA
+B65 : THR
+B66 : ASN
+B67 : ALA
+B68 : LEU
+B69 : ARG
+B70 : SER
+B71 : MET
+B72 : GLN
+B73 : GLY
+B74 : PHE
+B75 : PRO
+B76 : PHE
+B77 : TYR
+B78 : ASP
+B79 : LYS
+B80 : PRO
+B81 : MET
+B82 : ARG
+B83 : ILE
+B84 : GLN
+B85 : TYR
+B86 : ALA
+B87 : LYS
+B88 : THR
+B89 : ASP
+B90 : SER
+B91 : ASP
+B92 : ILE
+B93 : ILE
+B94 : ALA
+B95 : LYS
+B96 : MET
+B97 : LYS
+B98 : GLY
+B99 : THR
+B100 : PHE
+B101 : VAL
+C8 : G C2p_exo anti
+C9 : A C2p_exo anti
+C10 : G C2p_exo anti
+C11 : A C2p_exo anti
+C12 : C C3p_endo anti
+C13 : A C2p_exo anti
+C14 : U C2p_exo anti
+C15 : U C2p_endo anti
+C16 : G C2p_exo anti
+C17 : C C1p_exo anti
+C18 : A C2p_exo anti
+C19 : C C2p_exo anti
+C20 : C C2p_exo anti
+C21 : C C2p_exo anti
+C22 : G C3p_endo anti
+C23 : G C2p_exo anti
+C24 : A C3p_endo anti
+C25 : G C3p_endo anti
+C26 : U C2p_exo anti
+C27 : C C3p_endo anti
+C28 : U C3p_endo anti
+C29 : C C2p_exo anti
+D34 : G C2p_exo anti
+D35 : A C2p_exo anti
+D36 : G C2p_exo anti
+D37 : A C2p_exo anti
+D38 : C C3p_endo anti
+D39 : A C2p_exo anti
+D40 : U C2p_exo anti
+D41 : U C2p_endo anti
+D42 : G C2p_exo anti
+D43 : C C1p_exo anti
+D44 : A C2p_exo anti
+D45 : C C2p_exo anti
+D46 : C C2p_exo anti
+D47 : C C2p_exo anti
+D48 : G C3p_endo anti
+D49 : G C2p_exo anti
+D50 : A C3p_endo anti
+D51 : G C3p_endo anti
+D52 : U C2p_exo anti
+D53 : C C3p_endo anti
+D54 : U C3p_endo anti
+D55 : C C2p_exo anti
+Adjacent stackings ----------------------------------------------
+C9-C10 : adjacent_5p upward 
+C10-C11 : adjacent_5p upward 
+C11-C12 : adjacent_5p upward 
+C12-C13 : adjacent_5p upward 
+C13-C14 : adjacent_5p upward 
+C18-C19 : adjacent_5p upward 
+C20-C21 : adjacent_5p upward 
+C21-C22 : adjacent_5p upward 
+C22-C23 : adjacent_5p upward 
+C23-C24 : adjacent_5p upward 
+C25-C26 : adjacent_5p upward 
+C26-C27 : adjacent_5p upward 
+C27-C28 : adjacent_5p upward 
+D35-D36 : adjacent_5p upward 
+D36-D37 : adjacent_5p upward 
+D37-D38 : adjacent_5p upward 
+D38-D39 : adjacent_5p upward 
+D39-D40 : adjacent_5p upward 
+D44-D45 : adjacent_5p upward 
+D46-D47 : adjacent_5p upward 
+D47-D48 : adjacent_5p upward 
+D48-D49 : adjacent_5p upward 
+D49-D50 : adjacent_5p upward 
+D51-D52 : adjacent_5p upward 
+D52-D53 : adjacent_5p upward 
+D53-D54 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+C13-D51 : outward 
+C22-D48 : outward 
+C25-D39 : outward 
+Number of stackings = 29
+Number of adjacent stackings = 26
+Number of non adjacent stackings = 3
+Base-pairs ------------------------------------------------------
+A51-D40 : ARG-U pairing one_hbond 
+B51-C14 : ARG-U pairing one_hbond 
+C8-D55 : G-C Ww/Ww pairing antiparallel cis XIX 
+C9-D54 : A-U Ww/Ww pairing antiparallel cis XX 
+C10-D53 : G-C Ww/Ww pairing antiparallel cis XIX 
+C11-D52 : A-U Ww/Ww pairing antiparallel cis XX 
+C12-D51 : C-G Ww/Ww pairing antiparallel cis XIX 
+C19-C20 : C-C O2P/Hh adjacent_5p pairing 
+C20-D49 : C-G Ww/Ww pairing antiparallel cis XIX 
+C21-D48 : C-G Ww/Ww pairing antiparallel cis XIX 
+C22-D47 : G-C Ww/Ww pairing antiparallel cis XIX 
+C23-D46 : G-C Ww/Ww pairing antiparallel cis XIX 
+C25-D38 : G-C Ww/Ww pairing antiparallel cis XIX 
+C26-D37 : U-A Ww/Ww pairing antiparallel cis XX 
+C27-D36 : C-G Ww/Ww pairing antiparallel cis XIX 
+C28-D35 : U-A Ww/Ww pairing antiparallel cis XX 
+C29-D34 : C-G Ww/Ww pairing antiparallel cis XIX 
+D45-D46 : C-C O2P/Hh adjacent_5p pairing 
+Residue conformations -------------------------------------------
+A1 : ALA
+A2 : VAL
+A3 : PRO
+A4 : GLU
+A5 : THR
+A6 : ARG
+A7 : PRO
+A8 : ASN
+A9 : HIS
+A10 : THR
+A11 : ILE
+A12 : TYR
+A13 : ILE
+A14 : ASN
+A15 : ASN
+A16 : LEU
+A17 : ASN
+A18 : GLU
+A19 : LYS
+A20 : ILE
+A21 : LYS
+A22 : LYS
+A23 : ASP
+A24 : GLU
+A25 : LEU
+A26 : LYS
+A27 : LYS
+A28 : SER
+A29 : LEU
+A30 : HIS
+A31 : ALA
+A32 : ILE
+A33 : PHE
+A34 : SER
+A35 : ARG
+A36 : PHE
+A37 : GLY
+A38 : GLN
+A39 : ILE
+A40 : LEU
+A41 : ASP
+A42 : ILE
+A43 : LEU
+A44 : VAL
+A45 : SER
+A46 : ARG
+A47 : SER
+A48 : LEU
+A49 : LYS
+A50 : MET
+A51 : ARG
+A52 : GLY
+A53 : GLN
+A54 : ALA
+A55 : PHE
+A56 : VAL
+A57 : ILE
+A58 : PHE
+A59 : LYS
+A60 : GLU
+A61 : VAL
+A62 : SER
+A63 : SER
+A64 : ALA
+A65 : THR
+A66 : ASN
+A67 : ALA
+A68 : LEU
+A69 : ARG
+A70 : SER
+A71 : MET
+A72 : GLN
+A73 : GLY
+A74 : PHE
+A75 : PRO
+A76 : PHE
+A77 : TYR
+A78 : ASP
+A79 : LYS
+A80 : PRO
+A81 : MET
+A82 : ARG
+A83 : ILE
+A84 : GLN
+A85 : TYR
+A86 : ALA
+A87 : LYS
+A88 : THR
+A89 : ASP
+A90 : SER
+A91 : ASP
+A92 : ILE
+A93 : ILE
+A94 : ALA
+A95 : LYS
+A96 : MET
+A97 : LYS
+A98 : GLY
+A99 : THR
+A100 : PHE
+A101 : VAL
+B1 : ALA
+B2 : VAL
+B3 : PRO
+B4 : GLU
+B5 : THR
+B6 : ARG
+B7 : PRO
+B8 : ASN
+B9 : HIS
+B10 : THR
+B11 : ILE
+B12 : TYR
+B13 : ILE
+B14 : ASN
+B15 : ASN
+B16 : LEU
+B17 : ASN
+B18 : GLU
+B19 : LYS
+B20 : ILE
+B21 : LYS
+B22 : LYS
+B23 : ASP
+B24 : GLU
+B25 : LEU
+B26 : LYS
+B27 : LYS
+B28 : SER
+B29 : LEU
+B30 : HIS
+B31 : ALA
+B32 : ILE
+B33 : PHE
+B34 : SER
+B35 : ARG
+B36 : PHE
+B37 : GLY
+B38 : GLN
+B39 : ILE
+B40 : LEU
+B41 : ASP
+B42 : ILE
+B43 : LEU
+B44 : VAL
+B45 : SER
+B46 : ARG
+B47 : SER
+B48 : LEU
+B49 : LYS
+B50 : MET
+B51 : ARG
+B52 : GLY
+B53 : GLN
+B54 : ALA
+B55 : PHE
+B56 : VAL
+B57 : ILE
+B58 : PHE
+B59 : LYS
+B60 : GLU
+B61 : VAL
+B62 : SER
+B63 : SER
+B64 : ALA
+B65 : THR
+B66 : ASN
+B67 : ALA
+B68 : LEU
+B69 : ARG
+B70 : SER
+B71 : MET
+B72 : GLN
+B73 : GLY
+B74 : PHE
+B75 : PRO
+B76 : PHE
+B77 : TYR
+B78 : ASP
+B79 : LYS
+B80 : PRO
+B81 : MET
+B82 : ARG
+B83 : ILE
+B84 : GLN
+B85 : TYR
+B86 : ALA
+B87 : LYS
+B88 : THR
+B89 : ASP
+B90 : SER
+B91 : ASP
+B92 : ILE
+B93 : ILE
+B94 : ALA
+B95 : LYS
+B96 : MET
+B97 : LYS
+B98 : GLY
+B99 : THR
+B100 : PHE
+B101 : VAL
+C8 : G C2p_exo anti
+C9 : A C2p_exo anti
+C10 : G C3p_endo anti
+C11 : A C2p_exo anti
+C12 : C C3p_endo anti
+C13 : A O4p_endo anti
+C14 : U C4p_exo anti
+C15 : U C1p_exo anti
+C16 : G C2p_exo anti
+C17 : C C1p_exo anti
+C18 : A C4p_exo anti
+C19 : C C2p_exo anti
+C20 : C C2p_exo anti
+C21 : C C2p_exo anti
+C22 : G C2p_exo anti
+C23 : G C3p_endo anti
+C24 : A C3p_endo anti
+C25 : G C2p_exo anti
+C26 : U C3p_endo anti
+C27 : C C3p_endo anti
+C28 : U C3p_endo anti
+C29 : C C2p_exo anti
+D34 : G C2p_exo anti
+D35 : A C2p_exo anti
+D36 : G C3p_endo anti
+D37 : A C2p_exo anti
+D38 : C C3p_endo anti
+D39 : A O4p_endo anti
+D40 : U C4p_exo anti
+D41 : U C1p_exo anti
+D42 : G C2p_exo anti
+D43 : C C1p_exo anti
+D44 : A C4p_exo anti
+D45 : C C2p_exo anti
+D46 : C C2p_exo anti
+D47 : C C2p_exo anti
+D48 : G C2p_exo anti
+D49 : G C3p_endo anti
+D50 : A C3p_endo anti
+D51 : G C2p_exo anti
+D52 : U C3p_endo anti
+D53 : C C3p_endo anti
+D54 : U C3p_endo anti
+D55 : C C2p_exo anti
+Adjacent stackings ----------------------------------------------
+C8-C9 : adjacent_5p upward 
+C9-C10 : adjacent_5p upward 
+C10-C11 : adjacent_5p upward 
+C11-C12 : adjacent_5p upward 
+C13-C14 : adjacent_5p upward 
+C18-C19 : adjacent_5p upward 
+C20-C21 : adjacent_5p upward 
+C22-C23 : adjacent_5p upward 
+C23-C24 : adjacent_5p upward 
+C25-C26 : adjacent_5p upward 
+C26-C27 : adjacent_5p upward 
+C27-C28 : adjacent_5p upward 
+D34-D35 : adjacent_5p upward 
+D35-D36 : adjacent_5p upward 
+D36-D37 : adjacent_5p upward 
+D37-D38 : adjacent_5p upward 
+D39-D40 : adjacent_5p upward 
+D44-D45 : adjacent_5p upward 
+D46-D47 : adjacent_5p upward 
+D48-D49 : adjacent_5p upward 
+D49-D50 : adjacent_5p upward 
+D51-D52 : adjacent_5p upward 
+D52-D53 : adjacent_5p upward 
+D53-D54 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+C13-D51 : outward 
+C22-D48 : outward 
+C25-D39 : outward 
+Number of stackings = 27
+Number of adjacent stackings = 24
+Number of non adjacent stackings = 3
+Base-pairs ------------------------------------------------------
+C8-D55 : G-C Ww/Ww pairing antiparallel cis XIX 
+C9-D54 : A-U Ww/Ww pairing antiparallel cis XX 
+C10-D53 : G-C Ww/Ww pairing antiparallel cis XIX 
+C11-D52 : A-U Ww/Ww pairing antiparallel cis XX 
+C12-D51 : C-G Ww/Ww pairing antiparallel cis XIX 
+C14-C16 : U-G O2'/Bs O2'/Ss pairing 
+C19-C20 : C-C O2P/Hh adjacent_5p pairing 
+C20-D49 : C-G Ww/Ww pairing antiparallel cis XIX 
+C21-D48 : C-G Ww/Ww pairing antiparallel cis XIX 
+C22-D47 : G-C Ww/Ww pairing antiparallel cis XIX 
+C23-D46 : G-C Ww/Ww pairing antiparallel cis XIX 
+C25-D38 : G-C Ww/Ww pairing antiparallel cis XIX 
+C26-D37 : U-A Ww/Ww pairing antiparallel cis XX 
+C27-D36 : C-G Ww/Ww pairing antiparallel cis XIX 
+C28-D35 : U-A Ww/Ww pairing antiparallel cis XX 
+C29-D34 : C-G Ww/Ww pairing antiparallel cis XIX 
+D40-D42 : U-G O2'/Bs O2'/Ss pairing 
+D45-D46 : C-C O2P/Hh adjacent_5p pairing 
+Residue conformations -------------------------------------------
+A1 : ALA
+A2 : VAL
+A3 : PRO
+A4 : GLU
+A5 : THR
+A6 : ARG
+A7 : PRO
+A8 : ASN
+A9 : HIS
+A10 : THR
+A11 : ILE
+A12 : TYR
+A13 : ILE
+A14 : ASN
+A15 : ASN
+A16 : LEU
+A17 : ASN
+A18 : GLU
+A19 : LYS
+A20 : ILE
+A21 : LYS
+A22 : LYS
+A23 : ASP
+A24 : GLU
+A25 : LEU
+A26 : LYS
+A27 : LYS
+A28 : SER
+A29 : LEU
+A30 : HIS
+A31 : ALA
+A32 : ILE
+A33 : PHE
+A34 : SER
+A35 : ARG
+A36 : PHE
+A37 : GLY
+A38 : GLN
+A39 : ILE
+A40 : LEU
+A41 : ASP
+A42 : ILE
+A43 : LEU
+A44 : VAL
+A45 : SER
+A46 : ARG
+A47 : SER
+A48 : LEU
+A49 : LYS
+A50 : MET
+A51 : ARG
+A52 : GLY
+A53 : GLN
+A54 : ALA
+A55 : PHE
+A56 : VAL
+A57 : ILE
+A58 : PHE
+A59 : LYS
+A60 : GLU
+A61 : VAL
+A62 : SER
+A63 : SER
+A64 : ALA
+A65 : THR
+A66 : ASN
+A67 : ALA
+A68 : LEU
+A69 : ARG
+A70 : SER
+A71 : MET
+A72 : GLN
+A73 : GLY
+A74 : PHE
+A75 : PRO
+A76 : PHE
+A77 : TYR
+A78 : ASP
+A79 : LYS
+A80 : PRO
+A81 : MET
+A82 : ARG
+A83 : ILE
+A84 : GLN
+A85 : TYR
+A86 : ALA
+A87 : LYS
+A88 : THR
+A89 : ASP
+A90 : SER
+A91 : ASP
+A92 : ILE
+A93 : ILE
+A94 : ALA
+A95 : LYS
+A96 : MET
+A97 : LYS
+A98 : GLY
+A99 : THR
+A100 : PHE
+A101 : VAL
+B1 : ALA
+B2 : VAL
+B3 : PRO
+B4 : GLU
+B5 : THR
+B6 : ARG
+B7 : PRO
+B8 : ASN
+B9 : HIS
+B10 : THR
+B11 : ILE
+B12 : TYR
+B13 : ILE
+B14 : ASN
+B15 : ASN
+B16 : LEU
+B17 : ASN
+B18 : GLU
+B19 : LYS
+B20 : ILE
+B21 : LYS
+B22 : LYS
+B23 : ASP
+B24 : GLU
+B25 : LEU
+B26 : LYS
+B27 : LYS
+B28 : SER
+B29 : LEU
+B30 : HIS
+B31 : ALA
+B32 : ILE
+B33 : PHE
+B34 : SER
+B35 : ARG
+B36 : PHE
+B37 : GLY
+B38 : GLN
+B39 : ILE
+B40 : LEU
+B41 : ASP
+B42 : ILE
+B43 : LEU
+B44 : VAL
+B45 : SER
+B46 : ARG
+B47 : SER
+B48 : LEU
+B49 : LYS
+B50 : MET
+B51 : ARG
+B52 : GLY
+B53 : GLN
+B54 : ALA
+B55 : PHE
+B56 : VAL
+B57 : ILE
+B58 : PHE
+B59 : LYS
+B60 : GLU
+B61 : VAL
+B62 : SER
+B63 : SER
+B64 : ALA
+B65 : THR
+B66 : ASN
+B67 : ALA
+B68 : LEU
+B69 : ARG
+B70 : SER
+B71 : MET
+B72 : GLN
+B73 : GLY
+B74 : PHE
+B75 : PRO
+B76 : PHE
+B77 : TYR
+B78 : ASP
+B79 : LYS
+B80 : PRO
+B81 : MET
+B82 : ARG
+B83 : ILE
+B84 : GLN
+B85 : TYR
+B86 : ALA
+B87 : LYS
+B88 : THR
+B89 : ASP
+B90 : SER
+B91 : ASP
+B92 : ILE
+B93 : ILE
+B94 : ALA
+B95 : LYS
+B96 : MET
+B97 : LYS
+B98 : GLY
+B99 : THR
+B100 : PHE
+B101 : VAL
+C8 : G C2p_exo anti
+C9 : A C2p_exo anti
+C10 : G C2p_exo anti
+C11 : A C2p_exo anti
+C12 : C C3p_endo anti
+C13 : A C2p_exo anti
+C14 : U C2p_exo anti
+C15 : U C2p_endo anti
+C16 : G C2p_exo anti
+C17 : C C1p_exo syn
+C18 : A C2p_exo anti
+C19 : C C2p_exo anti
+C20 : C C2p_exo anti
+C21 : C C2p_exo anti
+C22 : G C3p_endo anti
+C23 : G C2p_exo anti
+C24 : A C2p_exo anti
+C25 : G C2p_exo anti
+C26 : U C2p_exo anti
+C27 : C C3p_endo anti
+C28 : U C3p_endo anti
+C29 : C C2p_exo anti
+D34 : G C2p_exo anti
+D35 : A C2p_exo anti
+D36 : G C2p_exo anti
+D37 : A C2p_exo anti
+D38 : C C3p_endo anti
+D39 : A C2p_exo anti
+D40 : U C2p_exo anti
+D41 : U C2p_endo anti
+D42 : G C2p_exo anti
+D43 : C C1p_exo syn
+D44 : A C2p_exo anti
+D45 : C C2p_exo anti
+D46 : C C2p_exo anti
+D47 : C C2p_exo anti
+D48 : G C3p_endo anti
+D49 : G C2p_exo anti
+D50 : A C2p_exo anti
+D51 : G C2p_exo anti
+D52 : U C2p_exo anti
+D53 : C C3p_endo anti
+D54 : U C3p_endo anti
+D55 : C C2p_exo anti
+Adjacent stackings ----------------------------------------------
+C8-C9 : adjacent_5p upward 
+C9-C10 : adjacent_5p upward 
+C10-C11 : adjacent_5p upward 
+C11-C12 : adjacent_5p upward 
+C13-C14 : adjacent_5p upward 
+C20-C21 : adjacent_5p upward 
+C22-C23 : adjacent_5p upward 
+C23-C24 : adjacent_5p upward 
+C26-C27 : adjacent_5p upward 
+C27-C28 : adjacent_5p upward 
+D34-D35 : adjacent_5p upward 
+D35-D36 : adjacent_5p upward 
+D36-D37 : adjacent_5p upward 
+D37-D38 : adjacent_5p upward 
+D39-D40 : adjacent_5p upward 
+D46-D47 : adjacent_5p upward 
+D48-D49 : adjacent_5p upward 
+D49-D50 : adjacent_5p upward 
+D52-D53 : adjacent_5p upward 
+D53-D54 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+C13-D51 : outward 
+C22-D48 : outward 
+C25-D39 : outward 
+Number of stackings = 23
+Number of adjacent stackings = 20
+Number of non adjacent stackings = 3
+Base-pairs ------------------------------------------------------
+A45-C24 : SER-A pairing one_hbond 
+A91-D45 : ASP-C pairing one_hbond 
+B45-D50 : SER-A pairing one_hbond 
+B91-C19 : ASP-C pairing one_hbond 
+C8-D55 : G-C Ww/Ww pairing antiparallel cis XIX 
+C9-D54 : A-U Ww/Ww pairing antiparallel cis XX 
+C10-D53 : G-C Ww/Ww pairing antiparallel cis XIX 
+C11-D52 : A-U Ww/Ww pairing antiparallel cis XX 
+C12-D51 : C-G Ww/Ww pairing antiparallel cis XIX 
+C19-C20 : C-C O2P/Hh adjacent_5p pairing 
+C20-D49 : C-G Ww/Ww pairing antiparallel cis XIX 
+C21-D48 : C-G Ww/Ww pairing antiparallel cis XIX 
+C22-D47 : G-C Ww/Ww pairing antiparallel cis XIX 
+C23-D46 : G-C Ww/Ww pairing antiparallel cis XIX 
+C25-D38 : G-C Ww/Ww pairing antiparallel cis XIX 
+C26-D37 : U-A Ww/Ww pairing antiparallel cis XX 
+C27-D36 : C-G Ww/Ww pairing antiparallel cis XIX 
+C28-D35 : U-A Ww/Ww pairing antiparallel cis XX 
+C29-D34 : C-G Ww/Ww pairing antiparallel cis XIX 
+D45-D46 : C-C O2P/Hh adjacent_5p pairing 
+Residue conformations -------------------------------------------
+A1 : ALA
+A2 : VAL
+A3 : PRO
+A4 : GLU
+A5 : THR
+A6 : ARG
+A7 : PRO
+A8 : ASN
+A9 : HIS
+A10 : THR
+A11 : ILE
+A12 : TYR
+A13 : ILE
+A14 : ASN
+A15 : ASN
+A16 : LEU
+A17 : ASN
+A18 : GLU
+A19 : LYS
+A20 : ILE
+A21 : LYS
+A22 : LYS
+A23 : ASP
+A24 : GLU
+A25 : LEU
+A26 : LYS
+A27 : LYS
+A28 : SER
+A29 : LEU
+A30 : HIS
+A31 : ALA
+A32 : ILE
+A33 : PHE
+A34 : SER
+A35 : ARG
+A36 : PHE
+A37 : GLY
+A38 : GLN
+A39 : ILE
+A40 : LEU
+A41 : ASP
+A42 : ILE
+A43 : LEU
+A44 : VAL
+A45 : SER
+A46 : ARG
+A47 : SER
+A48 : LEU
+A49 : LYS
+A50 : MET
+A51 : ARG
+A52 : GLY
+A53 : GLN
+A54 : ALA
+A55 : PHE
+A56 : VAL
+A57 : ILE
+A58 : PHE
+A59 : LYS
+A60 : GLU
+A61 : VAL
+A62 : SER
+A63 : SER
+A64 : ALA
+A65 : THR
+A66 : ASN
+A67 : ALA
+A68 : LEU
+A69 : ARG
+A70 : SER
+A71 : MET
+A72 : GLN
+A73 : GLY
+A74 : PHE
+A75 : PRO
+A76 : PHE
+A77 : TYR
+A78 : ASP
+A79 : LYS
+A80 : PRO
+A81 : MET
+A82 : ARG
+A83 : ILE
+A84 : GLN
+A85 : TYR
+A86 : ALA
+A87 : LYS
+A88 : THR
+A89 : ASP
+A90 : SER
+A91 : ASP
+A92 : ILE
+A93 : ILE
+A94 : ALA
+A95 : LYS
+A96 : MET
+A97 : LYS
+A98 : GLY
+A99 : THR
+A100 : PHE
+A101 : VAL
+B1 : ALA
+B2 : VAL
+B3 : PRO
+B4 : GLU
+B5 : THR
+B6 : ARG
+B7 : PRO
+B8 : ASN
+B9 : HIS
+B10 : THR
+B11 : ILE
+B12 : TYR
+B13 : ILE
+B14 : ASN
+B15 : ASN
+B16 : LEU
+B17 : ASN
+B18 : GLU
+B19 : LYS
+B20 : ILE
+B21 : LYS
+B22 : LYS
+B23 : ASP
+B24 : GLU
+B25 : LEU
+B26 : LYS
+B27 : LYS
+B28 : SER
+B29 : LEU
+B30 : HIS
+B31 : ALA
+B32 : ILE
+B33 : PHE
+B34 : SER
+B35 : ARG
+B36 : PHE
+B37 : GLY
+B38 : GLN
+B39 : ILE
+B40 : LEU
+B41 : ASP
+B42 : ILE
+B43 : LEU
+B44 : VAL
+B45 : SER
+B46 : ARG
+B47 : SER
+B48 : LEU
+B49 : LYS
+B50 : MET
+B51 : ARG
+B52 : GLY
+B53 : GLN
+B54 : ALA
+B55 : PHE
+B56 : VAL
+B57 : ILE
+B58 : PHE
+B59 : LYS
+B60 : GLU
+B61 : VAL
+B62 : SER
+B63 : SER
+B64 : ALA
+B65 : THR
+B66 : ASN
+B67 : ALA
+B68 : LEU
+B69 : ARG
+B70 : SER
+B71 : MET
+B72 : GLN
+B73 : GLY
+B74 : PHE
+B75 : PRO
+B76 : PHE
+B77 : TYR
+B78 : ASP
+B79 : LYS
+B80 : PRO
+B81 : MET
+B82 : ARG
+B83 : ILE
+B84 : GLN
+B85 : TYR
+B86 : ALA
+B87 : LYS
+B88 : THR
+B89 : ASP
+B90 : SER
+B91 : ASP
+B92 : ILE
+B93 : ILE
+B94 : ALA
+B95 : LYS
+B96 : MET
+B97 : LYS
+B98 : GLY
+B99 : THR
+B100 : PHE
+B101 : VAL
+C8 : G C2p_exo anti
+C9 : A C2p_exo anti
+C10 : G C3p_endo anti
+C11 : A C3p_endo anti
+C12 : C C3p_endo anti
+C13 : A C3p_endo anti
+C14 : U C2p_exo anti
+C15 : U C1p_exo anti
+C16 : G C1p_endo anti
+C17 : C C1p_exo anti
+C18 : A C1p_exo anti
+C19 : C C3p_endo anti
+C20 : C C2p_exo anti
+C21 : C C2p_exo anti
+C22 : G C2p_exo anti
+C23 : G C2p_exo anti
+C24 : A C3p_endo anti
+C25 : G C3p_endo anti
+C26 : U C3p_endo anti
+C27 : C C3p_endo anti
+C28 : U C3p_endo anti
+C29 : C C2p_exo anti
+D34 : G C2p_exo anti
+D35 : A C2p_exo anti
+D36 : G C3p_endo anti
+D37 : A C3p_endo anti
+D38 : C C3p_endo anti
+D39 : A C3p_endo anti
+D40 : U C2p_exo anti
+D41 : U C1p_exo anti
+D42 : G C1p_endo anti
+D43 : C C1p_exo anti
+D44 : A C1p_exo anti
+D45 : C C3p_endo anti
+D46 : C C2p_exo anti
+D47 : C C2p_exo anti
+D48 : G C2p_exo anti
+D49 : G C2p_exo anti
+D50 : A C3p_endo anti
+D51 : G C3p_endo anti
+D52 : U C3p_endo anti
+D53 : C C3p_endo anti
+D54 : U C3p_endo anti
+D55 : C C2p_exo anti
+Adjacent stackings ----------------------------------------------
+C8-C9 : adjacent_5p upward 
+C9-C10 : adjacent_5p upward 
+C10-C11 : adjacent_5p upward 
+C11-C12 : adjacent_5p upward 
+C13-C14 : adjacent_5p upward 
+C18-C19 : adjacent_5p upward 
+C20-C21 : adjacent_5p upward 
+C22-C23 : adjacent_5p upward 
+C23-C24 : adjacent_5p upward 
+C25-C26 : adjacent_5p upward 
+C26-C27 : adjacent_5p upward 
+C27-C28 : adjacent_5p upward 
+D34-D35 : adjacent_5p upward 
+D35-D36 : adjacent_5p upward 
+D36-D37 : adjacent_5p upward 
+D37-D38 : adjacent_5p upward 
+D39-D40 : adjacent_5p upward 
+D44-D45 : adjacent_5p upward 
+D46-D47 : adjacent_5p upward 
+D48-D49 : adjacent_5p upward 
+D49-D50 : adjacent_5p upward 
+D51-D52 : adjacent_5p upward 
+D52-D53 : adjacent_5p upward 
+D53-D54 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+C13-D51 : outward 
+C22-D48 : outward 
+C25-D39 : outward 
+Number of stackings = 27
+Number of adjacent stackings = 24
+Number of non adjacent stackings = 3
+Base-pairs ------------------------------------------------------
+C8-D55 : G-C Ww/Ww pairing antiparallel cis XIX 
+C9-D54 : A-U Ww/Ww pairing antiparallel cis XX 
+C10-D53 : G-C Ww/Ww pairing antiparallel cis XIX 
+C11-D52 : A-U Ww/Ww pairing antiparallel cis XX 
+C12-D51 : C-G Ww/Ww pairing antiparallel cis 
+C19-C20 : C-C O2P/Bh O2P/Hh adjacent_5p pairing 
+C19-D50 : C-A O2P/Ww pairing 
+C20-D49 : C-G Ww/Ww pairing antiparallel cis XIX 
+C21-D48 : C-G Ww/Ww pairing antiparallel cis XIX 
+C22-D47 : G-C Ww/Ww pairing antiparallel cis XIX 
+C23-D46 : G-C Ww/Ww pairing antiparallel cis XIX 
+C24-D45 : A-C Ww/O2P pairing 
+C25-D38 : G-C Ww/Ww pairing antiparallel cis 
+C26-D37 : U-A Ww/Ww pairing antiparallel cis XX 
+C27-D36 : C-G Ww/Ww pairing antiparallel cis XIX 
+C28-D35 : U-A Ww/Ww pairing antiparallel cis XX 
+C29-D34 : C-G Ww/Ww pairing antiparallel cis XIX 
+D45-D46 : C-C O2P/Bh O2P/Hh adjacent_5p pairing 
+Residue conformations -------------------------------------------
+A1 : ALA
+A2 : VAL
+A3 : PRO
+A4 : GLU
+A5 : THR
+A6 : ARG
+A7 : PRO
+A8 : ASN
+A9 : HIS
+A10 : THR
+A11 : ILE
+A12 : TYR
+A13 : ILE
+A14 : ASN
+A15 : ASN
+A16 : LEU
+A17 : ASN
+A18 : GLU
+A19 : LYS
+A20 : ILE
+A21 : LYS
+A22 : LYS
+A23 : ASP
+A24 : GLU
+A25 : LEU
+A26 : LYS
+A27 : LYS
+A28 : SER
+A29 : LEU
+A30 : HIS
+A31 : ALA
+A32 : ILE
+A33 : PHE
+A34 : SER
+A35 : ARG
+A36 : PHE
+A37 : GLY
+A38 : GLN
+A39 : ILE
+A40 : LEU
+A41 : ASP
+A42 : ILE
+A43 : LEU
+A44 : VAL
+A45 : SER
+A46 : ARG
+A47 : SER
+A48 : LEU
+A49 : LYS
+A50 : MET
+A51 : ARG
+A52 : GLY
+A53 : GLN
+A54 : ALA
+A55 : PHE
+A56 : VAL
+A57 : ILE
+A58 : PHE
+A59 : LYS
+A60 : GLU
+A61 : VAL
+A62 : SER
+A63 : SER
+A64 : ALA
+A65 : THR
+A66 : ASN
+A67 : ALA
+A68 : LEU
+A69 : ARG
+A70 : SER
+A71 : MET
+A72 : GLN
+A73 : GLY
+A74 : PHE
+A75 : PRO
+A76 : PHE
+A77 : TYR
+A78 : ASP
+A79 : LYS
+A80 : PRO
+A81 : MET
+A82 : ARG
+A83 : ILE
+A84 : GLN
+A85 : TYR
+A86 : ALA
+A87 : LYS
+A88 : THR
+A89 : ASP
+A90 : SER
+A91 : ASP
+A92 : ILE
+A93 : ILE
+A94 : ALA
+A95 : LYS
+A96 : MET
+A97 : LYS
+A98 : GLY
+A99 : THR
+A100 : PHE
+A101 : VAL
+B1 : ALA
+B2 : VAL
+B3 : PRO
+B4 : GLU
+B5 : THR
+B6 : ARG
+B7 : PRO
+B8 : ASN
+B9 : HIS
+B10 : THR
+B11 : ILE
+B12 : TYR
+B13 : ILE
+B14 : ASN
+B15 : ASN
+B16 : LEU
+B17 : ASN
+B18 : GLU
+B19 : LYS
+B20 : ILE
+B21 : LYS
+B22 : LYS
+B23 : ASP
+B24 : GLU
+B25 : LEU
+B26 : LYS
+B27 : LYS
+B28 : SER
+B29 : LEU
+B30 : HIS
+B31 : ALA
+B32 : ILE
+B33 : PHE
+B34 : SER
+B35 : ARG
+B36 : PHE
+B37 : GLY
+B38 : GLN
+B39 : ILE
+B40 : LEU
+B41 : ASP
+B42 : ILE
+B43 : LEU
+B44 : VAL
+B45 : SER
+B46 : ARG
+B47 : SER
+B48 : LEU
+B49 : LYS
+B50 : MET
+B51 : ARG
+B52 : GLY
+B53 : GLN
+B54 : ALA
+B55 : PHE
+B56 : VAL
+B57 : ILE
+B58 : PHE
+B59 : LYS
+B60 : GLU
+B61 : VAL
+B62 : SER
+B63 : SER
+B64 : ALA
+B65 : THR
+B66 : ASN
+B67 : ALA
+B68 : LEU
+B69 : ARG
+B70 : SER
+B71 : MET
+B72 : GLN
+B73 : GLY
+B74 : PHE
+B75 : PRO
+B76 : PHE
+B77 : TYR
+B78 : ASP
+B79 : LYS
+B80 : PRO
+B81 : MET
+B82 : ARG
+B83 : ILE
+B84 : GLN
+B85 : TYR
+B86 : ALA
+B87 : LYS
+B88 : THR
+B89 : ASP
+B90 : SER
+B91 : ASP
+B92 : ILE
+B93 : ILE
+B94 : ALA
+B95 : LYS
+B96 : MET
+B97 : LYS
+B98 : GLY
+B99 : THR
+B100 : PHE
+B101 : VAL
+C8 : G C2p_exo anti
+C9 : A C2p_exo anti
+C10 : G C2p_exo anti
+C11 : A C2p_exo anti
+C12 : C C3p_endo anti
+C13 : A C2p_exo anti
+C14 : U C2p_exo anti
+C15 : U C2p_endo anti
+C16 : G C2p_exo anti
+C17 : C C1p_exo anti
+C18 : A C3p_endo anti
+C19 : C C2p_exo anti
+C20 : C C2p_exo anti
+C21 : C C2p_exo anti
+C22 : G C2p_exo anti
+C23 : G C2p_exo anti
+C24 : A C3p_endo anti
+C25 : G O4p_endo anti
+C26 : U C3p_endo anti
+C27 : C C3p_endo anti
+C28 : U C3p_endo anti
+C29 : C C2p_exo anti
+D34 : G C2p_exo anti
+D35 : A C2p_exo anti
+D36 : G C2p_exo anti
+D37 : A C2p_exo anti
+D38 : C C3p_endo anti
+D39 : A C2p_exo anti
+D40 : U C2p_exo anti
+D41 : U C2p_endo anti
+D42 : G C2p_exo anti
+D43 : C C1p_exo anti
+D44 : A C3p_endo anti
+D45 : C C2p_exo anti
+D46 : C C2p_exo anti
+D47 : C C2p_exo anti
+D48 : G C2p_exo anti
+D49 : G C2p_exo anti
+D50 : A C3p_endo anti
+D51 : G O4p_endo anti
+D52 : U C3p_endo anti
+D53 : C C3p_endo anti
+D54 : U C3p_endo anti
+D55 : C C2p_exo anti
+Adjacent stackings ----------------------------------------------
+C9-C10 : adjacent_5p upward 
+C10-C11 : adjacent_5p upward 
+C11-C12 : adjacent_5p upward 
+C12-C13 : adjacent_5p upward 
+C13-C14 : adjacent_5p upward 
+C18-C19 : adjacent_5p upward 
+C20-C21 : adjacent_5p upward 
+C21-C22 : adjacent_5p upward 
+C22-C23 : adjacent_5p upward 
+C23-C24 : adjacent_5p upward 
+C26-C27 : adjacent_5p upward 
+C27-C28 : adjacent_5p upward 
+D35-D36 : adjacent_5p upward 
+D36-D37 : adjacent_5p upward 
+D37-D38 : adjacent_5p upward 
+D38-D39 : adjacent_5p upward 
+D39-D40 : adjacent_5p upward 
+D44-D45 : adjacent_5p upward 
+D46-D47 : adjacent_5p upward 
+D47-D48 : adjacent_5p upward 
+D48-D49 : adjacent_5p upward 
+D49-D50 : adjacent_5p upward 
+D52-D53 : adjacent_5p upward 
+D53-D54 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+C13-D51 : outward 
+C22-D48 : outward 
+C25-D39 : outward 
+Number of stackings = 27
+Number of adjacent stackings = 24
+Number of non adjacent stackings = 3
+Base-pairs ------------------------------------------------------
+C8-D55 : G-C Ww/Ww pairing antiparallel cis XIX 
+C9-D54 : A-U Ww/Ww pairing antiparallel cis XX 
+C10-D53 : G-C Ww/Ww pairing antiparallel cis XIX 
+C11-D52 : A-U Ww/Ww pairing antiparallel cis XX 
+C12-D51 : C-G Ww/Ww pairing antiparallel cis XIX 
+C19-C20 : C-C O2P/Hh adjacent_5p pairing 
+C20-D49 : C-G Ww/Ww pairing antiparallel cis XIX 
+C21-D48 : C-G Ww/Ww pairing antiparallel cis XIX 
+C22-D47 : G-C Ww/Ww pairing antiparallel cis XIX 
+C23-D46 : G-C Ww/Ww pairing antiparallel cis XIX 
+C25-D38 : G-C Ww/Ww pairing antiparallel cis XIX 
+C26-D37 : U-A Ww/Ww pairing antiparallel cis XX 
+C27-D36 : C-G Ww/Ww pairing antiparallel cis XIX 
+C28-D35 : U-A Ww/Ww pairing antiparallel cis XX 
+C29-D34 : C-G Ww/Ww pairing antiparallel cis XIX 
+D45-D46 : C-C O2P/Hh adjacent_5p pairing 
+Residue conformations -------------------------------------------
+A1 : ALA
+A2 : VAL
+A3 : PRO
+A4 : GLU
+A5 : THR
+A6 : ARG
+A7 : PRO
+A8 : ASN
+A9 : HIS
+A10 : THR
+A11 : ILE
+A12 : TYR
+A13 : ILE
+A14 : ASN
+A15 : ASN
+A16 : LEU
+A17 : ASN
+A18 : GLU
+A19 : LYS
+A20 : ILE
+A21 : LYS
+A22 : LYS
+A23 : ASP
+A24 : GLU
+A25 : LEU
+A26 : LYS
+A27 : LYS
+A28 : SER
+A29 : LEU
+A30 : HIS
+A31 : ALA
+A32 : ILE
+A33 : PHE
+A34 : SER
+A35 : ARG
+A36 : PHE
+A37 : GLY
+A38 : GLN
+A39 : ILE
+A40 : LEU
+A41 : ASP
+A42 : ILE
+A43 : LEU
+A44 : VAL
+A45 : SER
+A46 : ARG
+A47 : SER
+A48 : LEU
+A49 : LYS
+A50 : MET
+A51 : ARG
+A52 : GLY
+A53 : GLN
+A54 : ALA
+A55 : PHE
+A56 : VAL
+A57 : ILE
+A58 : PHE
+A59 : LYS
+A60 : GLU
+A61 : VAL
+A62 : SER
+A63 : SER
+A64 : ALA
+A65 : THR
+A66 : ASN
+A67 : ALA
+A68 : LEU
+A69 : ARG
+A70 : SER
+A71 : MET
+A72 : GLN
+A73 : GLY
+A74 : PHE
+A75 : PRO
+A76 : PHE
+A77 : TYR
+A78 : ASP
+A79 : LYS
+A80 : PRO
+A81 : MET
+A82 : ARG
+A83 : ILE
+A84 : GLN
+A85 : TYR
+A86 : ALA
+A87 : LYS
+A88 : THR
+A89 : ASP
+A90 : SER
+A91 : ASP
+A92 : ILE
+A93 : ILE
+A94 : ALA
+A95 : LYS
+A96 : MET
+A97 : LYS
+A98 : GLY
+A99 : THR
+A100 : PHE
+A101 : VAL
+B1 : ALA
+B2 : VAL
+B3 : PRO
+B4 : GLU
+B5 : THR
+B6 : ARG
+B7 : PRO
+B8 : ASN
+B9 : HIS
+B10 : THR
+B11 : ILE
+B12 : TYR
+B13 : ILE
+B14 : ASN
+B15 : ASN
+B16 : LEU
+B17 : ASN
+B18 : GLU
+B19 : LYS
+B20 : ILE
+B21 : LYS
+B22 : LYS
+B23 : ASP
+B24 : GLU
+B25 : LEU
+B26 : LYS
+B27 : LYS
+B28 : SER
+B29 : LEU
+B30 : HIS
+B31 : ALA
+B32 : ILE
+B33 : PHE
+B34 : SER
+B35 : ARG
+B36 : PHE
+B37 : GLY
+B38 : GLN
+B39 : ILE
+B40 : LEU
+B41 : ASP
+B42 : ILE
+B43 : LEU
+B44 : VAL
+B45 : SER
+B46 : ARG
+B47 : SER
+B48 : LEU
+B49 : LYS
+B50 : MET
+B51 : ARG
+B52 : GLY
+B53 : GLN
+B54 : ALA
+B55 : PHE
+B56 : VAL
+B57 : ILE
+B58 : PHE
+B59 : LYS
+B60 : GLU
+B61 : VAL
+B62 : SER
+B63 : SER
+B64 : ALA
+B65 : THR
+B66 : ASN
+B67 : ALA
+B68 : LEU
+B69 : ARG
+B70 : SER
+B71 : MET
+B72 : GLN
+B73 : GLY
+B74 : PHE
+B75 : PRO
+B76 : PHE
+B77 : TYR
+B78 : ASP
+B79 : LYS
+B80 : PRO
+B81 : MET
+B82 : ARG
+B83 : ILE
+B84 : GLN
+B85 : TYR
+B86 : ALA
+B87 : LYS
+B88 : THR
+B89 : ASP
+B90 : SER
+B91 : ASP
+B92 : ILE
+B93 : ILE
+B94 : ALA
+B95 : LYS
+B96 : MET
+B97 : LYS
+B98 : GLY
+B99 : THR
+B100 : PHE
+B101 : VAL
+C8 : G C2p_exo anti
+C9 : A C2p_exo anti
+C10 : G C3p_endo anti
+C11 : A C3p_endo anti
+C12 : C C3p_endo anti
+C13 : A C3p_endo anti
+C14 : U C2p_exo anti
+C15 : U C2p_endo anti
+C16 : G C3p_exo anti
+C17 : C C1p_exo syn
+C18 : A C3p_endo anti
+C19 : C C2p_exo anti
+C20 : C C2p_exo anti
+C21 : C C2p_exo anti
+C22 : G C2p_exo anti
+C23 : G C2p_exo anti
+C24 : A C3p_endo anti
+C25 : G C2p_exo anti
+C26 : U C3p_endo anti
+C27 : C C3p_endo anti
+C28 : U C3p_endo anti
+C29 : C C2p_exo anti
+D34 : G C2p_exo anti
+D35 : A C2p_exo anti
+D36 : G C3p_endo anti
+D37 : A C3p_endo anti
+D38 : C C3p_endo anti
+D39 : A C3p_endo anti
+D40 : U C2p_exo anti
+D41 : U C2p_endo anti
+D42 : G C3p_exo anti
+D43 : C C1p_exo syn
+D44 : A C3p_endo anti
+D45 : C C2p_exo anti
+D46 : C C2p_exo anti
+D47 : C C2p_exo anti
+D48 : G C2p_exo anti
+D49 : G C2p_exo anti
+D50 : A C3p_endo anti
+D51 : G C2p_exo anti
+D52 : U C3p_endo anti
+D53 : C C3p_endo anti
+D54 : U C3p_endo anti
+D55 : C C2p_exo anti
+Adjacent stackings ----------------------------------------------
+C8-C9 : adjacent_5p upward 
+C9-C10 : adjacent_5p upward 
+C10-C11 : adjacent_5p upward 
+C11-C12 : adjacent_5p upward 
+C12-C13 : adjacent_5p upward 
+C13-C14 : adjacent_5p upward 
+C18-C19 : adjacent_5p upward pairing 
+C20-C21 : adjacent_5p upward 
+C22-C23 : adjacent_5p upward 
+C23-C24 : adjacent_5p upward 
+C25-C26 : adjacent_5p upward 
+C26-C27 : adjacent_5p upward 
+C27-C28 : adjacent_5p upward 
+D34-D35 : adjacent_5p upward 
+D35-D36 : adjacent_5p upward 
+D36-D37 : adjacent_5p upward 
+D37-D38 : adjacent_5p upward 
+D38-D39 : adjacent_5p upward 
+D39-D40 : adjacent_5p upward 
+D44-D45 : adjacent_5p upward pairing 
+D46-D47 : adjacent_5p upward 
+D48-D49 : adjacent_5p upward 
+D49-D50 : adjacent_5p upward 
+D51-D52 : adjacent_5p upward 
+D52-D53 : adjacent_5p upward 
+D53-D54 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+C13-D51 : outward 
+C22-D48 : outward 
+C25-D39 : outward 
+Number of stackings = 29
+Number of adjacent stackings = 26
+Number of non adjacent stackings = 3
+Base-pairs ------------------------------------------------------
+A15-D41 : ASN-U pairing one_hbond 
+B15-C15 : ASN-U pairing one_hbond 
+C8-D55 : G-C Ww/Ww pairing antiparallel cis XIX 
+C9-D54 : A-U Ww/Ww pairing antiparallel cis XX 
+C10-D53 : G-C Ww/Ww pairing antiparallel cis XIX 
+C11-D52 : A-U Ww/Ww pairing antiparallel cis XX 
+C12-D51 : C-G Ww/Ww pairing antiparallel cis XIX 
+C18-C19 : A-C O2P/Bh adjacent_5p upward pairing 
+C19-C20 : C-C O2P/Hh adjacent_5p pairing 
+C19-D50 : C-A O2P/Ww pairing 
+C20-D49 : C-G Ww/Ww pairing antiparallel cis XIX 
+C21-D48 : C-G Ww/Ww pairing antiparallel cis XIX 
+C22-D47 : G-C Ww/Ww pairing antiparallel cis XIX 
+C23-D46 : G-C Ww/Ww pairing antiparallel cis XIX 
+C24-D45 : A-C Ww/O2P pairing 
+C25-D38 : G-C Ww/Ww pairing antiparallel cis XIX 
+C26-D37 : U-A Ww/Ww pairing antiparallel cis XX 
+C27-D36 : C-G Ww/Ww pairing antiparallel cis XIX 
+C28-D35 : U-A Ww/Ww pairing antiparallel cis XX 
+C29-D34 : C-G Ww/Ww pairing antiparallel cis XIX 
+D44-D45 : A-C O2P/Bh adjacent_5p upward pairing 
+D45-D46 : C-C O2P/Hh adjacent_5p pairing 
+Residue conformations -------------------------------------------
+A1 : ALA
+A2 : VAL
+A3 : PRO
+A4 : GLU
+A5 : THR
+A6 : ARG
+A7 : PRO
+A8 : ASN
+A9 : HIS
+A10 : THR
+A11 : ILE
+A12 : TYR
+A13 : ILE
+A14 : ASN
+A15 : ASN
+A16 : LEU
+A17 : ASN
+A18 : GLU
+A19 : LYS
+A20 : ILE
+A21 : LYS
+A22 : LYS
+A23 : ASP
+A24 : GLU
+A25 : LEU
+A26 : LYS
+A27 : LYS
+A28 : SER
+A29 : LEU
+A30 : HIS
+A31 : ALA
+A32 : ILE
+A33 : PHE
+A34 : SER
+A35 : ARG
+A36 : PHE
+A37 : GLY
+A38 : GLN
+A39 : ILE
+A40 : LEU
+A41 : ASP
+A42 : ILE
+A43 : LEU
+A44 : VAL
+A45 : SER
+A46 : ARG
+A47 : SER
+A48 : LEU
+A49 : LYS
+A50 : MET
+A51 : ARG
+A52 : GLY
+A53 : GLN
+A54 : ALA
+A55 : PHE
+A56 : VAL
+A57 : ILE
+A58 : PHE
+A59 : LYS
+A60 : GLU
+A61 : VAL
+A62 : SER
+A63 : SER
+A64 : ALA
+A65 : THR
+A66 : ASN
+A67 : ALA
+A68 : LEU
+A69 : ARG
+A70 : SER
+A71 : MET
+A72 : GLN
+A73 : GLY
+A74 : PHE
+A75 : PRO
+A76 : PHE
+A77 : TYR
+A78 : ASP
+A79 : LYS
+A80 : PRO
+A81 : MET
+A82 : ARG
+A83 : ILE
+A84 : GLN
+A85 : TYR
+A86 : ALA
+A87 : LYS
+A88 : THR
+A89 : ASP
+A90 : SER
+A91 : ASP
+A92 : ILE
+A93 : ILE
+A94 : ALA
+A95 : LYS
+A96 : MET
+A97 : LYS
+A98 : GLY
+A99 : THR
+A100 : PHE
+A101 : VAL
+B1 : ALA
+B2 : VAL
+B3 : PRO
+B4 : GLU
+B5 : THR
+B6 : ARG
+B7 : PRO
+B8 : ASN
+B9 : HIS
+B10 : THR
+B11 : ILE
+B12 : TYR
+B13 : ILE
+B14 : ASN
+B15 : ASN
+B16 : LEU
+B17 : ASN
+B18 : GLU
+B19 : LYS
+B20 : ILE
+B21 : LYS
+B22 : LYS
+B23 : ASP
+B24 : GLU
+B25 : LEU
+B26 : LYS
+B27 : LYS
+B28 : SER
+B29 : LEU
+B30 : HIS
+B31 : ALA
+B32 : ILE
+B33 : PHE
+B34 : SER
+B35 : ARG
+B36 : PHE
+B37 : GLY
+B38 : GLN
+B39 : ILE
+B40 : LEU
+B41 : ASP
+B42 : ILE
+B43 : LEU
+B44 : VAL
+B45 : SER
+B46 : ARG
+B47 : SER
+B48 : LEU
+B49 : LYS
+B50 : MET
+B51 : ARG
+B52 : GLY
+B53 : GLN
+B54 : ALA
+B55 : PHE
+B56 : VAL
+B57 : ILE
+B58 : PHE
+B59 : LYS
+B60 : GLU
+B61 : VAL
+B62 : SER
+B63 : SER
+B64 : ALA
+B65 : THR
+B66 : ASN
+B67 : ALA
+B68 : LEU
+B69 : ARG
+B70 : SER
+B71 : MET
+B72 : GLN
+B73 : GLY
+B74 : PHE
+B75 : PRO
+B76 : PHE
+B77 : TYR
+B78 : ASP
+B79 : LYS
+B80 : PRO
+B81 : MET
+B82 : ARG
+B83 : ILE
+B84 : GLN
+B85 : TYR
+B86 : ALA
+B87 : LYS
+B88 : THR
+B89 : ASP
+B90 : SER
+B91 : ASP
+B92 : ILE
+B93 : ILE
+B94 : ALA
+B95 : LYS
+B96 : MET
+B97 : LYS
+B98 : GLY
+B99 : THR
+B100 : PHE
+B101 : VAL
+C8 : G C2p_exo anti
+C9 : A C2p_exo anti
+C10 : G C3p_endo anti
+C11 : A C3p_endo anti
+C12 : C C3p_endo anti
+C13 : A C2p_exo anti
+C14 : U C2p_exo anti
+C15 : U C1p_exo anti
+C16 : G C1p_endo syn
+C17 : C C1p_exo syn
+C18 : A C1p_exo anti
+C19 : C C2p_exo anti
+C20 : C C2p_exo anti
+C21 : C C2p_exo anti
+C22 : G C2p_exo anti
+C23 : G C2p_exo anti
+C24 : A C3p_endo anti
+C25 : G C4p_exo anti
+C26 : U C3p_endo anti
+C27 : C C3p_endo anti
+C28 : U C3p_endo anti
+C29 : C C2p_exo anti
+D34 : G C2p_exo anti
+D35 : A C2p_exo anti
+D36 : G C3p_endo anti
+D37 : A C3p_endo anti
+D38 : C C3p_endo anti
+D39 : A C2p_exo anti
+D40 : U C2p_exo anti
+D41 : U C1p_exo anti
+D42 : G C1p_endo syn
+D43 : C C1p_exo syn
+D44 : A C1p_exo anti
+D45 : C C2p_exo anti
+D46 : C C2p_exo anti
+D47 : C C2p_exo anti
+D48 : G C2p_exo anti
+D49 : G C2p_exo anti
+D50 : A C3p_endo anti
+D51 : G C4p_exo anti
+D52 : U C3p_endo anti
+D53 : C C3p_endo anti
+D54 : U C3p_endo anti
+D55 : C C2p_exo anti
+Adjacent stackings ----------------------------------------------
+C8-C9 : adjacent_5p upward 
+C9-C10 : adjacent_5p upward 
+C10-C11 : adjacent_5p upward 
+C11-C12 : adjacent_5p upward 
+C12-C13 : adjacent_5p upward 
+C13-C14 : adjacent_5p upward 
+C18-C19 : adjacent_5p upward 
+C20-C21 : adjacent_5p upward 
+C22-C23 : adjacent_5p upward 
+C23-C24 : adjacent_5p upward 
+C26-C27 : adjacent_5p upward 
+C27-C28 : adjacent_5p upward 
+D34-D35 : adjacent_5p upward 
+D35-D36 : adjacent_5p upward 
+D36-D37 : adjacent_5p upward 
+D37-D38 : adjacent_5p upward 
+D38-D39 : adjacent_5p upward 
+D39-D40 : adjacent_5p upward 
+D44-D45 : adjacent_5p upward 
+D46-D47 : adjacent_5p upward 
+D48-D49 : adjacent_5p upward 
+D49-D50 : adjacent_5p upward 
+D52-D53 : adjacent_5p upward 
+D53-D54 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+C13-D51 : outward 
+C22-D48 : outward 
+C25-D39 : outward 
+Number of stackings = 27
+Number of adjacent stackings = 24
+Number of non adjacent stackings = 3
+Base-pairs ------------------------------------------------------
+A12-D43 : TYR-C pairing one_hbond 
+B12-C17 : TYR-C pairing one_hbond 
+B79-C15 : LYS-U pairing one_hbond 
+C8-D55 : G-C Ww/Ww pairing antiparallel cis XIX 
+C9-D54 : A-U Ww/Ww pairing antiparallel cis XX 
+C10-D53 : G-C Ww/Ww pairing antiparallel cis XIX 
+C11-D52 : A-U Ww/Ww pairing antiparallel cis XX 
+C12-D51 : C-G Ww/Ww pairing antiparallel cis XIX 
+C19-D50 : C-A O2P/Ww pairing 
+C20-D49 : C-G Ww/Ww pairing antiparallel cis XIX 
+C21-D48 : C-G Ww/Ww pairing antiparallel cis XIX 
+C22-D47 : G-C Ww/Ww pairing antiparallel cis XIX 
+C23-D46 : G-C Ww/Ww pairing antiparallel cis XIX 
+C24-D45 : A-C Ww/O2P pairing 
+C25-D38 : G-C Ww/Ww pairing antiparallel cis XIX 
+C26-D37 : U-A Ww/Ww pairing antiparallel cis XX 
+C27-D36 : C-G Ww/Ww pairing antiparallel cis XIX 
+C28-D35 : U-A Ww/Ww pairing antiparallel cis XX 
+C29-D34 : C-G Ww/Ww pairing antiparallel cis XIX 
+Residue conformations -------------------------------------------
+A1 : ALA
+A2 : VAL
+A3 : PRO
+A4 : GLU
+A5 : THR
+A6 : ARG
+A7 : PRO
+A8 : ASN
+A9 : HIS
+A10 : THR
+A11 : ILE
+A12 : TYR
+A13 : ILE
+A14 : ASN
+A15 : ASN
+A16 : LEU
+A17 : ASN
+A18 : GLU
+A19 : LYS
+A20 : ILE
+A21 : LYS
+A22 : LYS
+A23 : ASP
+A24 : GLU
+A25 : LEU
+A26 : LYS
+A27 : LYS
+A28 : SER
+A29 : LEU
+A30 : HIS
+A31 : ALA
+A32 : ILE
+A33 : PHE
+A34 : SER
+A35 : ARG
+A36 : PHE
+A37 : GLY
+A38 : GLN
+A39 : ILE
+A40 : LEU
+A41 : ASP
+A42 : ILE
+A43 : LEU
+A44 : VAL
+A45 : SER
+A46 : ARG
+A47 : SER
+A48 : LEU
+A49 : LYS
+A50 : MET
+A51 : ARG
+A52 : GLY
+A53 : GLN
+A54 : ALA
+A55 : PHE
+A56 : VAL
+A57 : ILE
+A58 : PHE
+A59 : LYS
+A60 : GLU
+A61 : VAL
+A62 : SER
+A63 : SER
+A64 : ALA
+A65 : THR
+A66 : ASN
+A67 : ALA
+A68 : LEU
+A69 : ARG
+A70 : SER
+A71 : MET
+A72 : GLN
+A73 : GLY
+A74 : PHE
+A75 : PRO
+A76 : PHE
+A77 : TYR
+A78 : ASP
+A79 : LYS
+A80 : PRO
+A81 : MET
+A82 : ARG
+A83 : ILE
+A84 : GLN
+A85 : TYR
+A86 : ALA
+A87 : LYS
+A88 : THR
+A89 : ASP
+A90 : SER
+A91 : ASP
+A92 : ILE
+A93 : ILE
+A94 : ALA
+A95 : LYS
+A96 : MET
+A97 : LYS
+A98 : GLY
+A99 : THR
+A100 : PHE
+A101 : VAL
+B1 : ALA
+B2 : VAL
+B3 : PRO
+B4 : GLU
+B5 : THR
+B6 : ARG
+B7 : PRO
+B8 : ASN
+B9 : HIS
+B10 : THR
+B11 : ILE
+B12 : TYR
+B13 : ILE
+B14 : ASN
+B15 : ASN
+B16 : LEU
+B17 : ASN
+B18 : GLU
+B19 : LYS
+B20 : ILE
+B21 : LYS
+B22 : LYS
+B23 : ASP
+B24 : GLU
+B25 : LEU
+B26 : LYS
+B27 : LYS
+B28 : SER
+B29 : LEU
+B30 : HIS
+B31 : ALA
+B32 : ILE
+B33 : PHE
+B34 : SER
+B35 : ARG
+B36 : PHE
+B37 : GLY
+B38 : GLN
+B39 : ILE
+B40 : LEU
+B41 : ASP
+B42 : ILE
+B43 : LEU
+B44 : VAL
+B45 : SER
+B46 : ARG
+B47 : SER
+B48 : LEU
+B49 : LYS
+B50 : MET
+B51 : ARG
+B52 : GLY
+B53 : GLN
+B54 : ALA
+B55 : PHE
+B56 : VAL
+B57 : ILE
+B58 : PHE
+B59 : LYS
+B60 : GLU
+B61 : VAL
+B62 : SER
+B63 : SER
+B64 : ALA
+B65 : THR
+B66 : ASN
+B67 : ALA
+B68 : LEU
+B69 : ARG
+B70 : SER
+B71 : MET
+B72 : GLN
+B73 : GLY
+B74 : PHE
+B75 : PRO
+B76 : PHE
+B77 : TYR
+B78 : ASP
+B79 : LYS
+B80 : PRO
+B81 : MET
+B82 : ARG
+B83 : ILE
+B84 : GLN
+B85 : TYR
+B86 : ALA
+B87 : LYS
+B88 : THR
+B89 : ASP
+B90 : SER
+B91 : ASP
+B92 : ILE
+B93 : ILE
+B94 : ALA
+B95 : LYS
+B96 : MET
+B97 : LYS
+B98 : GLY
+B99 : THR
+B100 : PHE
+B101 : VAL
+C8 : G C2p_exo anti
+C9 : A C2p_exo anti
+C10 : G C2p_exo anti
+C11 : A C2p_exo anti
+C12 : C C3p_endo anti
+C13 : A C2p_exo anti
+C14 : U C2p_exo anti
+C15 : U C3p_exo anti
+C16 : G C1p_endo anti
+C17 : C C1p_exo syn
+C18 : A C2p_exo anti
+C19 : C C2p_exo anti
+C20 : C C2p_exo anti
+C21 : C C2p_exo anti
+C22 : G C2p_exo anti
+C23 : G C2p_exo anti
+C24 : A C3p_endo anti
+C25 : G C4p_exo anti
+C26 : U C3p_endo anti
+C27 : C C3p_endo anti
+C28 : U C3p_endo anti
+C29 : C C2p_exo anti
+D34 : G C2p_exo anti
+D35 : A C2p_exo anti
+D36 : G C2p_exo anti
+D37 : A C2p_exo anti
+D38 : C C3p_endo anti
+D39 : A C2p_exo anti
+D40 : U C2p_exo anti
+D41 : U C3p_exo anti
+D42 : G C1p_endo anti
+D43 : C C1p_exo syn
+D44 : A C2p_exo anti
+D45 : C C2p_exo anti
+D46 : C C2p_exo anti
+D47 : C C2p_exo anti
+D48 : G C2p_exo anti
+D49 : G C2p_exo anti
+D50 : A C3p_endo anti
+D51 : G C4p_exo anti
+D52 : U C3p_endo anti
+D53 : C C3p_endo anti
+D54 : U C3p_endo anti
+D55 : C C2p_exo anti
+Adjacent stackings ----------------------------------------------
+C8-C9 : adjacent_5p upward 
+C9-C10 : adjacent_5p upward 
+C10-C11 : adjacent_5p upward 
+C11-C12 : adjacent_5p upward 
+C13-C14 : adjacent_5p upward 
+C18-C19 : adjacent_5p upward 
+C20-C21 : adjacent_5p upward 
+C21-C22 : adjacent_5p upward 
+C22-C23 : adjacent_5p upward 
+C23-C24 : adjacent_5p upward 
+C26-C27 : adjacent_5p upward 
+C27-C28 : adjacent_5p upward 
+D34-D35 : adjacent_5p upward 
+D35-D36 : adjacent_5p upward 
+D36-D37 : adjacent_5p upward 
+D37-D38 : adjacent_5p upward 
+D39-D40 : adjacent_5p upward 
+D44-D45 : adjacent_5p upward 
+D46-D47 : adjacent_5p upward 
+D47-D48 : adjacent_5p upward 
+D48-D49 : adjacent_5p upward 
+D49-D50 : adjacent_5p upward 
+D52-D53 : adjacent_5p upward 
+D53-D54 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+C13-D51 : outward 
+C22-D48 : outward 
+C25-D39 : outward 
+Number of stackings = 27
+Number of adjacent stackings = 24
+Number of non adjacent stackings = 3
+Base-pairs ------------------------------------------------------
+A91-D45 : ASP-C pairing one_hbond 
+B91-C19 : ASP-C pairing one_hbond 
+C8-D55 : G-C Ww/Ww pairing antiparallel cis XIX 
+C9-D54 : A-U Ww/Ww pairing antiparallel cis XX 
+C10-D53 : G-C Ww/Ww pairing antiparallel cis XIX 
+C11-D52 : A-U Ww/Ww pairing antiparallel cis XX 
+C12-D51 : C-G Ww/Ww pairing antiparallel cis XIX 
+C19-C20 : C-C O2P/Ww O2P/Bh O2P/Hh adjacent_5p pairing 
+C19-D50 : C-A O2P/Ww pairing 
+C20-D49 : C-G Ww/Ww pairing antiparallel cis XIX 
+C20-D50 : C-A Ws/Bs pairing antiparallel cis one_hbond 
+C21-D48 : C-G Ww/Ww pairing antiparallel cis XIX 
+C22-D47 : G-C Ww/Ww pairing antiparallel cis XIX 
+C23-D46 : G-C Ww/Ww pairing antiparallel cis XIX 
+C24-D45 : A-C Ww/O2P pairing 
+C24-D46 : A-C Bs/Ws pairing antiparallel cis one_hbond 
+C25-D38 : G-C Ww/Ww pairing antiparallel cis XIX 
+C26-D37 : U-A Ww/Ww pairing antiparallel cis XX 
+C27-D36 : C-G Ww/Ww pairing antiparallel cis XIX 
+C28-D35 : U-A Ww/Ww pairing antiparallel cis XX 
+C29-D34 : C-G Ww/Ww pairing antiparallel cis XIX 
+D45-D46 : C-C O2P/Ww O2P/Bh O2P/Hh adjacent_5p pairing 
+Residue conformations -------------------------------------------
+A1 : ALA
+A2 : VAL
+A3 : PRO
+A4 : GLU
+A5 : THR
+A6 : ARG
+A7 : PRO
+A8 : ASN
+A9 : HIS
+A10 : THR
+A11 : ILE
+A12 : TYR
+A13 : ILE
+A14 : ASN
+A15 : ASN
+A16 : LEU
+A17 : ASN
+A18 : GLU
+A19 : LYS
+A20 : ILE
+A21 : LYS
+A22 : LYS
+A23 : ASP
+A24 : GLU
+A25 : LEU
+A26 : LYS
+A27 : LYS
+A28 : SER
+A29 : LEU
+A30 : HIS
+A31 : ALA
+A32 : ILE
+A33 : PHE
+A34 : SER
+A35 : ARG
+A36 : PHE
+A37 : GLY
+A38 : GLN
+A39 : ILE
+A40 : LEU
+A41 : ASP
+A42 : ILE
+A43 : LEU
+A44 : VAL
+A45 : SER
+A46 : ARG
+A47 : SER
+A48 : LEU
+A49 : LYS
+A50 : MET
+A51 : ARG
+A52 : GLY
+A53 : GLN
+A54 : ALA
+A55 : PHE
+A56 : VAL
+A57 : ILE
+A58 : PHE
+A59 : LYS
+A60 : GLU
+A61 : VAL
+A62 : SER
+A63 : SER
+A64 : ALA
+A65 : THR
+A66 : ASN
+A67 : ALA
+A68 : LEU
+A69 : ARG
+A70 : SER
+A71 : MET
+A72 : GLN
+A73 : GLY
+A74 : PHE
+A75 : PRO
+A76 : PHE
+A77 : TYR
+A78 : ASP
+A79 : LYS
+A80 : PRO
+A81 : MET
+A82 : ARG
+A83 : ILE
+A84 : GLN
+A85 : TYR
+A86 : ALA
+A87 : LYS
+A88 : THR
+A89 : ASP
+A90 : SER
+A91 : ASP
+A92 : ILE
+A93 : ILE
+A94 : ALA
+A95 : LYS
+A96 : MET
+A97 : LYS
+A98 : GLY
+A99 : THR
+A100 : PHE
+A101 : VAL
+B1 : ALA
+B2 : VAL
+B3 : PRO
+B4 : GLU
+B5 : THR
+B6 : ARG
+B7 : PRO
+B8 : ASN
+B9 : HIS
+B10 : THR
+B11 : ILE
+B12 : TYR
+B13 : ILE
+B14 : ASN
+B15 : ASN
+B16 : LEU
+B17 : ASN
+B18 : GLU
+B19 : LYS
+B20 : ILE
+B21 : LYS
+B22 : LYS
+B23 : ASP
+B24 : GLU
+B25 : LEU
+B26 : LYS
+B27 : LYS
+B28 : SER
+B29 : LEU
+B30 : HIS
+B31 : ALA
+B32 : ILE
+B33 : PHE
+B34 : SER
+B35 : ARG
+B36 : PHE
+B37 : GLY
+B38 : GLN
+B39 : ILE
+B40 : LEU
+B41 : ASP
+B42 : ILE
+B43 : LEU
+B44 : VAL
+B45 : SER
+B46 : ARG
+B47 : SER
+B48 : LEU
+B49 : LYS
+B50 : MET
+B51 : ARG
+B52 : GLY
+B53 : GLN
+B54 : ALA
+B55 : PHE
+B56 : VAL
+B57 : ILE
+B58 : PHE
+B59 : LYS
+B60 : GLU
+B61 : VAL
+B62 : SER
+B63 : SER
+B64 : ALA
+B65 : THR
+B66 : ASN
+B67 : ALA
+B68 : LEU
+B69 : ARG
+B70 : SER
+B71 : MET
+B72 : GLN
+B73 : GLY
+B74 : PHE
+B75 : PRO
+B76 : PHE
+B77 : TYR
+B78 : ASP
+B79 : LYS
+B80 : PRO
+B81 : MET
+B82 : ARG
+B83 : ILE
+B84 : GLN
+B85 : TYR
+B86 : ALA
+B87 : LYS
+B88 : THR
+B89 : ASP
+B90 : SER
+B91 : ASP
+B92 : ILE
+B93 : ILE
+B94 : ALA
+B95 : LYS
+B96 : MET
+B97 : LYS
+B98 : GLY
+B99 : THR
+B100 : PHE
+B101 : VAL
+C8 : G C2p_exo anti
+C9 : A C2p_exo anti
+C10 : G C2p_exo anti
+C11 : A C2p_exo anti
+C12 : C C3p_endo anti
+C13 : A C2p_exo anti
+C14 : U C3p_endo anti
+C15 : U C3p_exo anti
+C16 : G C1p_endo anti
+C17 : C C1p_exo anti
+C18 : A C1p_endo anti
+C19 : C C2p_exo anti
+C20 : C C2p_exo anti
+C21 : C C2p_exo anti
+C22 : G C2p_exo anti
+C23 : G C2p_exo anti
+C24 : A C2p_exo anti
+C25 : G C4p_exo anti
+C26 : U C2p_exo anti
+C27 : C C3p_endo anti
+C28 : U C3p_endo anti
+C29 : C C2p_exo anti
+D34 : G C2p_exo anti
+D35 : A C2p_exo anti
+D36 : G C2p_exo anti
+D37 : A C2p_exo anti
+D38 : C C3p_endo anti
+D39 : A C2p_exo anti
+D40 : U C3p_endo anti
+D41 : U C3p_exo anti
+D42 : G C1p_endo anti
+D43 : C C1p_exo anti
+D44 : A C1p_endo anti
+D45 : C C2p_exo anti
+D46 : C C2p_exo anti
+D47 : C C2p_exo anti
+D48 : G C2p_exo anti
+D49 : G C2p_exo anti
+D50 : A C2p_exo anti
+D51 : G C4p_exo anti
+D52 : U C2p_exo anti
+D53 : C C3p_endo anti
+D54 : U C3p_endo anti
+D55 : C C2p_exo anti
+Adjacent stackings ----------------------------------------------
+C8-C9 : adjacent_5p upward 
+C9-C10 : adjacent_5p upward 
+C10-C11 : adjacent_5p upward 
+C11-C12 : adjacent_5p upward 
+C12-C13 : adjacent_5p upward 
+C13-C14 : adjacent_5p upward 
+C18-C19 : adjacent_5p upward 
+C20-C21 : adjacent_5p upward 
+C21-C22 : adjacent_5p upward 
+C22-C23 : adjacent_5p upward 
+C23-C24 : adjacent_5p upward 
+C26-C27 : adjacent_5p upward 
+C27-C28 : adjacent_5p upward 
+D34-D35 : adjacent_5p upward 
+D35-D36 : adjacent_5p upward 
+D36-D37 : adjacent_5p upward 
+D37-D38 : adjacent_5p upward 
+D38-D39 : adjacent_5p upward 
+D39-D40 : adjacent_5p upward 
+D44-D45 : adjacent_5p upward 
+D46-D47 : adjacent_5p upward 
+D47-D48 : adjacent_5p upward 
+D48-D49 : adjacent_5p upward 
+D49-D50 : adjacent_5p upward 
+D52-D53 : adjacent_5p upward 
+D53-D54 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+C13-D51 : outward 
+C25-D39 : outward 
+Number of stackings = 28
+Number of adjacent stackings = 26
+Number of non adjacent stackings = 2
+Base-pairs ------------------------------------------------------
+C8-D55 : G-C Ww/Ww pairing antiparallel cis XIX 
+C9-D54 : A-U Ww/Ww pairing antiparallel cis XX 
+C10-D53 : G-C Ww/Ww pairing antiparallel cis XIX 
+C11-D52 : A-U Ww/Ww pairing antiparallel cis XX 
+C12-D51 : C-G Ww/Ww pairing antiparallel cis XIX 
+C14-C16 : U-G O2'/Bs pairing 
+C17-C18 : C-A O2'/Hh adjacent_5p pairing 
+C19-C20 : C-C O2P/Ww adjacent_5p pairing 
+C19-D50 : C-A O2P/Ww O2P/Bh pairing 
+C20-D49 : C-G Ww/Ww pairing antiparallel cis XIX 
+C20-D50 : C-A Ws/Bs pairing antiparallel cis one_hbond 
+C21-D48 : C-G Ww/Ww pairing antiparallel cis XIX 
+C22-D47 : G-C Ww/Ww pairing antiparallel cis XIX 
+C23-D46 : G-C Ww/Ww pairing antiparallel cis XIX 
+C24-D45 : A-C Ww/O2P Bh/O2P pairing 
+C24-D46 : A-C Bs/Ws pairing antiparallel cis one_hbond 
+C25-D38 : G-C Ww/Ww pairing antiparallel cis XIX 
+C26-D37 : U-A Ww/Ww pairing antiparallel cis XX 
+C27-D36 : C-G Ww/Ww pairing antiparallel cis XIX 
+C28-D35 : U-A Ww/Ww pairing antiparallel cis XX 
+C29-D34 : C-G Ww/Ww pairing antiparallel cis XIX 
+D40-D42 : U-G O2'/Bs pairing 
+D43-D44 : C-A O2'/Hh adjacent_5p pairing 
+D45-D46 : C-C O2P/Ww adjacent_5p pairing 
+Residue conformations -------------------------------------------
+A1 : ALA
+A2 : VAL
+A3 : PRO
+A4 : GLU
+A5 : THR
+A6 : ARG
+A7 : PRO
+A8 : ASN
+A9 : HIS
+A10 : THR
+A11 : ILE
+A12 : TYR
+A13 : ILE
+A14 : ASN
+A15 : ASN
+A16 : LEU
+A17 : ASN
+A18 : GLU
+A19 : LYS
+A20 : ILE
+A21 : LYS
+A22 : LYS
+A23 : ASP
+A24 : GLU
+A25 : LEU
+A26 : LYS
+A27 : LYS
+A28 : SER
+A29 : LEU
+A30 : HIS
+A31 : ALA
+A32 : ILE
+A33 : PHE
+A34 : SER
+A35 : ARG
+A36 : PHE
+A37 : GLY
+A38 : GLN
+A39 : ILE
+A40 : LEU
+A41 : ASP
+A42 : ILE
+A43 : LEU
+A44 : VAL
+A45 : SER
+A46 : ARG
+A47 : SER
+A48 : LEU
+A49 : LYS
+A50 : MET
+A51 : ARG
+A52 : GLY
+A53 : GLN
+A54 : ALA
+A55 : PHE
+A56 : VAL
+A57 : ILE
+A58 : PHE
+A59 : LYS
+A60 : GLU
+A61 : VAL
+A62 : SER
+A63 : SER
+A64 : ALA
+A65 : THR
+A66 : ASN
+A67 : ALA
+A68 : LEU
+A69 : ARG
+A70 : SER
+A71 : MET
+A72 : GLN
+A73 : GLY
+A74 : PHE
+A75 : PRO
+A76 : PHE
+A77 : TYR
+A78 : ASP
+A79 : LYS
+A80 : PRO
+A81 : MET
+A82 : ARG
+A83 : ILE
+A84 : GLN
+A85 : TYR
+A86 : ALA
+A87 : LYS
+A88 : THR
+A89 : ASP
+A90 : SER
+A91 : ASP
+A92 : ILE
+A93 : ILE
+A94 : ALA
+A95 : LYS
+A96 : MET
+A97 : LYS
+A98 : GLY
+A99 : THR
+A100 : PHE
+A101 : VAL
+B1 : ALA
+B2 : VAL
+B3 : PRO
+B4 : GLU
+B5 : THR
+B6 : ARG
+B7 : PRO
+B8 : ASN
+B9 : HIS
+B10 : THR
+B11 : ILE
+B12 : TYR
+B13 : ILE
+B14 : ASN
+B15 : ASN
+B16 : LEU
+B17 : ASN
+B18 : GLU
+B19 : LYS
+B20 : ILE
+B21 : LYS
+B22 : LYS
+B23 : ASP
+B24 : GLU
+B25 : LEU
+B26 : LYS
+B27 : LYS
+B28 : SER
+B29 : LEU
+B30 : HIS
+B31 : ALA
+B32 : ILE
+B33 : PHE
+B34 : SER
+B35 : ARG
+B36 : PHE
+B37 : GLY
+B38 : GLN
+B39 : ILE
+B40 : LEU
+B41 : ASP
+B42 : ILE
+B43 : LEU
+B44 : VAL
+B45 : SER
+B46 : ARG
+B47 : SER
+B48 : LEU
+B49 : LYS
+B50 : MET
+B51 : ARG
+B52 : GLY
+B53 : GLN
+B54 : ALA
+B55 : PHE
+B56 : VAL
+B57 : ILE
+B58 : PHE
+B59 : LYS
+B60 : GLU
+B61 : VAL
+B62 : SER
+B63 : SER
+B64 : ALA
+B65 : THR
+B66 : ASN
+B67 : ALA
+B68 : LEU
+B69 : ARG
+B70 : SER
+B71 : MET
+B72 : GLN
+B73 : GLY
+B74 : PHE
+B75 : PRO
+B76 : PHE
+B77 : TYR
+B78 : ASP
+B79 : LYS
+B80 : PRO
+B81 : MET
+B82 : ARG
+B83 : ILE
+B84 : GLN
+B85 : TYR
+B86 : ALA
+B87 : LYS
+B88 : THR
+B89 : ASP
+B90 : SER
+B91 : ASP
+B92 : ILE
+B93 : ILE
+B94 : ALA
+B95 : LYS
+B96 : MET
+B97 : LYS
+B98 : GLY
+B99 : THR
+B100 : PHE
+B101 : VAL
+C8 : G C2p_exo anti
+C9 : A C2p_exo anti
+C10 : G C3p_endo anti
+C11 : A C3p_endo anti
+C12 : C C3p_endo anti
+C13 : A C3p_endo anti
+C14 : U C2p_exo anti
+C15 : U C3p_exo anti
+C16 : G C1p_endo syn
+C17 : C C1p_exo anti
+C18 : A C2p_exo anti
+C19 : C C2p_exo anti
+C20 : C C2p_exo anti
+C21 : C C2p_exo anti
+C22 : G C3p_endo anti
+C23 : G C3p_endo anti
+C24 : A C3p_endo anti
+C25 : G C4p_exo anti
+C26 : U C3p_endo anti
+C27 : C C3p_endo anti
+C28 : U C3p_endo anti
+C29 : C C2p_exo anti
+D34 : G C2p_exo anti
+D35 : A C2p_exo anti
+D36 : G C3p_endo anti
+D37 : A C3p_endo anti
+D38 : C C3p_endo anti
+D39 : A C3p_endo anti
+D40 : U C2p_exo anti
+D41 : U C3p_exo anti
+D42 : G C1p_endo syn
+D43 : C C1p_exo anti
+D44 : A C2p_exo anti
+D45 : C C2p_exo anti
+D46 : C C2p_exo anti
+D47 : C C2p_exo anti
+D48 : G C3p_endo anti
+D49 : G C3p_endo anti
+D50 : A C3p_endo anti
+D51 : G C4p_exo anti
+D52 : U C3p_endo anti
+D53 : C C3p_endo anti
+D54 : U C3p_endo anti
+D55 : C C2p_exo anti
+Adjacent stackings ----------------------------------------------
+C8-C9 : adjacent_5p upward 
+C9-C10 : adjacent_5p upward 
+C10-C11 : adjacent_5p upward 
+C11-C12 : adjacent_5p upward 
+C12-C13 : adjacent_5p upward 
+C18-C19 : adjacent_5p upward 
+C20-C21 : adjacent_5p upward 
+C21-C22 : adjacent_5p upward 
+C22-C23 : adjacent_5p upward 
+C23-C24 : adjacent_5p upward 
+C25-C26 : adjacent_5p upward 
+C26-C27 : adjacent_5p upward 
+C27-C28 : adjacent_5p upward 
+D34-D35 : adjacent_5p upward 
+D35-D36 : adjacent_5p upward 
+D36-D37 : adjacent_5p upward 
+D37-D38 : adjacent_5p upward 
+D38-D39 : adjacent_5p upward 
+D44-D45 : adjacent_5p upward 
+D46-D47 : adjacent_5p upward 
+D47-D48 : adjacent_5p upward 
+D48-D49 : adjacent_5p upward 
+D49-D50 : adjacent_5p upward 
+D51-D52 : adjacent_5p upward 
+D52-D53 : adjacent_5p upward 
+D53-D54 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+C13-D51 : outward 
+C22-D48 : outward 
+C25-D39 : outward 
+Number of stackings = 29
+Number of adjacent stackings = 26
+Number of non adjacent stackings = 3
+Base-pairs ------------------------------------------------------
+A12-D43 : TYR-C pairing one_hbond 
+A14-D42 : ASN-G pairing one_hbond 
+A55-D43 : PHE-C pairing one_hbond 
+A79-D41 : LYS-U pairing one_hbond 
+B12-C17 : TYR-C pairing one_hbond 
+B14-C16 : ASN-G pairing one_hbond 
+B55-C17 : PHE-C pairing one_hbond 
+B79-C15 : LYS-U pairing one_hbond 
+C8-D55 : G-C Ww/Ww pairing antiparallel cis XIX 
+C9-D54 : A-U Ww/Ww pairing antiparallel cis XX 
+C10-D53 : G-C Ww/Ww pairing antiparallel cis XIX 
+C11-D52 : A-U Ww/Ww pairing antiparallel cis XX 
+C12-D51 : C-G Ww/Ww pairing antiparallel cis XIX 
+C17-C18 : C-A O2'/Hh adjacent_5p pairing 
+C19-C20 : C-C O2P/Hh adjacent_5p pairing 
+C20-D49 : C-G Ww/Ww pairing antiparallel cis XIX 
+C21-D48 : C-G Ww/Ww pairing antiparallel cis XIX 
+C22-D47 : G-C Ww/Ww pairing antiparallel cis XIX 
+C23-D46 : G-C Ww/Ww pairing antiparallel cis XIX 
+C25-D38 : G-C Ww/Ww pairing antiparallel cis XIX 
+C26-D37 : U-A Ww/Ww pairing antiparallel cis XX 
+C27-D36 : C-G Ww/Ww pairing antiparallel cis XIX 
+C28-D35 : U-A Ww/Ww pairing antiparallel cis XX 
+C29-D34 : C-G Ww/Ww pairing antiparallel cis XIX 
+D43-D44 : C-A O2'/Hh adjacent_5p pairing 
+D45-D46 : C-C O2P/Hh adjacent_5p pairing 
+Residue conformations -------------------------------------------
+A1 : ALA
+A2 : VAL
+A3 : PRO
+A4 : GLU
+A5 : THR
+A6 : ARG
+A7 : PRO
+A8 : ASN
+A9 : HIS
+A10 : THR
+A11 : ILE
+A12 : TYR
+A13 : ILE
+A14 : ASN
+A15 : ASN
+A16 : LEU
+A17 : ASN
+A18 : GLU
+A19 : LYS
+A20 : ILE
+A21 : LYS
+A22 : LYS
+A23 : ASP
+A24 : GLU
+A25 : LEU
+A26 : LYS
+A27 : LYS
+A28 : SER
+A29 : LEU
+A30 : HIS
+A31 : ALA
+A32 : ILE
+A33 : PHE
+A34 : SER
+A35 : ARG
+A36 : PHE
+A37 : GLY
+A38 : GLN
+A39 : ILE
+A40 : LEU
+A41 : ASP
+A42 : ILE
+A43 : LEU
+A44 : VAL
+A45 : SER
+A46 : ARG
+A47 : SER
+A48 : LEU
+A49 : LYS
+A50 : MET
+A51 : ARG
+A52 : GLY
+A53 : GLN
+A54 : ALA
+A55 : PHE
+A56 : VAL
+A57 : ILE
+A58 : PHE
+A59 : LYS
+A60 : GLU
+A61 : VAL
+A62 : SER
+A63 : SER
+A64 : ALA
+A65 : THR
+A66 : ASN
+A67 : ALA
+A68 : LEU
+A69 : ARG
+A70 : SER
+A71 : MET
+A72 : GLN
+A73 : GLY
+A74 : PHE
+A75 : PRO
+A76 : PHE
+A77 : TYR
+A78 : ASP
+A79 : LYS
+A80 : PRO
+A81 : MET
+A82 : ARG
+A83 : ILE
+A84 : GLN
+A85 : TYR
+A86 : ALA
+A87 : LYS
+A88 : THR
+A89 : ASP
+A90 : SER
+A91 : ASP
+A92 : ILE
+A93 : ILE
+A94 : ALA
+A95 : LYS
+A96 : MET
+A97 : LYS
+A98 : GLY
+A99 : THR
+A100 : PHE
+A101 : VAL
+B1 : ALA
+B2 : VAL
+B3 : PRO
+B4 : GLU
+B5 : THR
+B6 : ARG
+B7 : PRO
+B8 : ASN
+B9 : HIS
+B10 : THR
+B11 : ILE
+B12 : TYR
+B13 : ILE
+B14 : ASN
+B15 : ASN
+B16 : LEU
+B17 : ASN
+B18 : GLU
+B19 : LYS
+B20 : ILE
+B21 : LYS
+B22 : LYS
+B23 : ASP
+B24 : GLU
+B25 : LEU
+B26 : LYS
+B27 : LYS
+B28 : SER
+B29 : LEU
+B30 : HIS
+B31 : ALA
+B32 : ILE
+B33 : PHE
+B34 : SER
+B35 : ARG
+B36 : PHE
+B37 : GLY
+B38 : GLN
+B39 : ILE
+B40 : LEU
+B41 : ASP
+B42 : ILE
+B43 : LEU
+B44 : VAL
+B45 : SER
+B46 : ARG
+B47 : SER
+B48 : LEU
+B49 : LYS
+B50 : MET
+B51 : ARG
+B52 : GLY
+B53 : GLN
+B54 : ALA
+B55 : PHE
+B56 : VAL
+B57 : ILE
+B58 : PHE
+B59 : LYS
+B60 : GLU
+B61 : VAL
+B62 : SER
+B63 : SER
+B64 : ALA
+B65 : THR
+B66 : ASN
+B67 : ALA
+B68 : LEU
+B69 : ARG
+B70 : SER
+B71 : MET
+B72 : GLN
+B73 : GLY
+B74 : PHE
+B75 : PRO
+B76 : PHE
+B77 : TYR
+B78 : ASP
+B79 : LYS
+B80 : PRO
+B81 : MET
+B82 : ARG
+B83 : ILE
+B84 : GLN
+B85 : TYR
+B86 : ALA
+B87 : LYS
+B88 : THR
+B89 : ASP
+B90 : SER
+B91 : ASP
+B92 : ILE
+B93 : ILE
+B94 : ALA
+B95 : LYS
+B96 : MET
+B97 : LYS
+B98 : GLY
+B99 : THR
+B100 : PHE
+B101 : VAL
+C8 : G C2p_exo anti
+C9 : A C2p_exo anti
+C10 : G C3p_endo anti
+C11 : A C3p_endo anti
+C12 : C C3p_endo anti
+C13 : A C3p_endo anti
+C14 : U C2p_exo anti
+C15 : U C3p_exo anti
+C16 : G C2p_exo syn
+C17 : C C1p_exo anti
+C18 : A C2p_exo anti
+C19 : C C2p_exo anti
+C20 : C C2p_exo anti
+C21 : C C2p_exo anti
+C22 : G C2p_exo anti
+C23 : G C2p_exo anti
+C24 : A C3p_endo anti
+C25 : G C4p_exo anti
+C26 : U C3p_endo anti
+C27 : C C3p_endo anti
+C28 : U C3p_endo anti
+C29 : C C2p_exo anti
+D34 : G C2p_exo anti
+D35 : A C2p_exo anti
+D36 : G C3p_endo anti
+D37 : A C3p_endo anti
+D38 : C C3p_endo anti
+D39 : A C3p_endo anti
+D40 : U C2p_exo anti
+D41 : U C3p_exo anti
+D42 : G C2p_exo syn
+D43 : C C1p_exo anti
+D44 : A C2p_exo anti
+D45 : C C2p_exo anti
+D46 : C C2p_exo anti
+D47 : C C2p_exo anti
+D48 : G C2p_exo anti
+D49 : G C2p_exo anti
+D50 : A C3p_endo anti
+D51 : G C4p_exo anti
+D52 : U C3p_endo anti
+D53 : C C3p_endo anti
+D54 : U C3p_endo anti
+D55 : C C2p_exo anti
+Adjacent stackings ----------------------------------------------
+C8-C9 : adjacent_5p upward 
+C9-C10 : adjacent_5p upward 
+C10-C11 : adjacent_5p upward 
+C11-C12 : adjacent_5p upward 
+C13-C14 : adjacent_5p upward 
+C18-C19 : adjacent_5p upward 
+C20-C21 : adjacent_5p upward 
+C21-C22 : adjacent_5p upward 
+C22-C23 : adjacent_5p upward 
+C23-C24 : adjacent_5p upward 
+C25-C26 : adjacent_5p upward 
+C26-C27 : adjacent_5p upward 
+C27-C28 : adjacent_5p upward 
+D34-D35 : adjacent_5p upward 
+D35-D36 : adjacent_5p upward 
+D36-D37 : adjacent_5p upward 
+D37-D38 : adjacent_5p upward 
+D39-D40 : adjacent_5p upward 
+D44-D45 : adjacent_5p upward 
+D46-D47 : adjacent_5p upward 
+D47-D48 : adjacent_5p upward 
+D48-D49 : adjacent_5p upward 
+D49-D50 : adjacent_5p upward 
+D51-D52 : adjacent_5p upward 
+D52-D53 : adjacent_5p upward 
+D53-D54 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+C13-D51 : outward 
+C25-D39 : outward 
+Number of stackings = 28
+Number of adjacent stackings = 26
+Number of non adjacent stackings = 2
+Base-pairs ------------------------------------------------------
+C8-D55 : G-C Ww/Ww pairing antiparallel cis XIX 
+C9-D54 : A-U Ww/Ww pairing antiparallel cis XX 
+C10-D53 : G-C Ww/Ww pairing antiparallel cis XIX 
+C11-D52 : A-U Ww/Ww pairing antiparallel cis XX 
+C12-D51 : C-G Ww/Ww pairing antiparallel cis XIX 
+C19-C20 : C-C O2P/Hh adjacent_5p pairing 
+C20-D49 : C-G Ww/Ww pairing antiparallel cis XIX 
+C21-D48 : C-G Ww/Ww pairing antiparallel cis XIX 
+C22-D47 : G-C Ww/Ww pairing antiparallel cis XIX 
+C23-D46 : G-C Ww/Ww pairing antiparallel cis XIX 
+C25-D38 : G-C Ww/Ww pairing antiparallel cis XIX 
+C26-D37 : U-A Ww/Ww pairing antiparallel cis XX 
+C27-D36 : C-G Ww/Ww pairing antiparallel cis XIX 
+C28-D35 : U-A Ww/Ww pairing antiparallel cis XX 
+C29-D34 : C-G Ww/Ww pairing antiparallel cis XIX 
+D45-D46 : C-C O2P/Hh adjacent_5p pairing 
diff --git a/MCdata/1e4p_MC b/MCdata/1e4p_MC
new file mode 100644
index 0000000000000000000000000000000000000000..6e2ab604bf6e174a01de31a9ca7be2d88f25c3f6
--- /dev/null
+++ b/MCdata/1e4p_MC
@@ -0,0 +1,1153 @@
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : U C3p_endo anti
+A3 : G C2p_exo anti
+A4 : C C3p_endo anti
+A5 : G C3p_endo anti
+A6 : A C3p_endo anti
+A7 : A C3p_endo anti
+A8 : G C3p_endo anti
+A9 : A C3p_endo anti
+A10 : C C3p_endo anti
+A11 : G C3p_endo anti
+A12 : A C2p_exo anti
+A13 : A C3p_endo anti
+A14 : A C3p_endo anti
+A15 : G C3p_endo anti
+A16 : U C3p_endo anti
+A17 : C C3p_endo anti
+A18 : C C3p_endo anti
+A19 : G C2p_endo anti
+A20 : A C3p_endo anti
+A21 : G C2p_exo anti
+A22 : C C3p_endo anti
+A23 : G C2p_exo anti
+A24 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+A23-A24 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A6-A20 : outward 
+Number of stackings = 17
+Number of adjacent stackings = 16
+Number of non adjacent stackings = 1
+Base-pairs ------------------------------------------------------
+A1-A24 : G-C Ww/Ww pairing antiparallel cis 
+A2-A23 : U-G Ws/Ww pairing antiparallel cis XXVIII 
+A3-A22 : G-C Ww/Ww pairing antiparallel cis XIX 
+A4-A21 : C-G Ww/Ww pairing antiparallel cis XIX 
+A5-A20 : G-A Ss/Hh pairing antiparallel trans XI 
+A6-A19 : A-G Hh/Sw pairing antiparallel trans one_hbond 
+A7-A18 : A-C Wh/Ww pairing antiparallel cis one_hbond 75 
+A8-A17 : G-C Ww/Ww pairing antiparallel cis XIX 
+A9-A16 : A-U Ww/Ww pairing antiparallel cis XX 
+A10-A15 : C-G Ww/Ww pairing antiparallel cis XIX 
+A11-A13 : G-A Ss/O2P pairing 
+A11-A14 : G-A O2'/Bh Bs/O2P pairing 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : U C3p_endo anti
+A3 : G C2p_exo anti
+A4 : C C3p_endo anti
+A5 : G C3p_endo anti
+A6 : A C3p_endo anti
+A7 : A C3p_endo anti
+A8 : G C3p_endo anti
+A9 : A C3p_endo anti
+A10 : C C3p_endo anti
+A11 : G C3p_endo anti
+A12 : A C2p_exo anti
+A13 : A C3p_endo anti
+A14 : A C3p_endo anti
+A15 : G C3p_endo anti
+A16 : U C3p_endo anti
+A17 : C C3p_endo anti
+A18 : C C3p_endo anti
+A19 : G C2p_endo anti
+A20 : A C3p_endo anti
+A21 : G C2p_exo anti
+A22 : C C3p_endo anti
+A23 : G C2p_exo anti
+A24 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A21-A22 : adjacent_5p upward 
+A23-A24 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A5-A19 : inward pairing 
+A6-A20 : outward 
+Number of stackings = 16
+Number of adjacent stackings = 14
+Number of non adjacent stackings = 2
+Base-pairs ------------------------------------------------------
+A1-A24 : G-C Ww/Ww pairing antiparallel cis 
+A2-A3 : U-G O2'/Hh adjacent_5p pairing 
+A2-A23 : U-G Ws/Ww pairing antiparallel cis XXVIII 
+A3-A22 : G-C Ww/Ww pairing antiparallel cis XIX 
+A4-A21 : C-G Ww/Ww pairing antiparallel cis XIX 
+A5-A19 : G-G Bs/O2' inward pairing 
+A5-A20 : G-A O2'/Bh pairing 
+A8-A17 : G-C Ww/Ww pairing antiparallel cis XIX 
+A9-A16 : A-U Ww/Ww pairing antiparallel cis XX 
+A10-A15 : C-G Ww/Ww pairing antiparallel cis XIX 
+A11-A13 : G-A O2'/Hh pairing 
+Residue conformations -------------------------------------------
+A1 : G O4p_endo anti
+A2 : U C3p_endo anti
+A3 : G C3p_endo anti
+A4 : C C3p_endo anti
+A5 : G C3p_endo anti
+A6 : A C3p_endo anti
+A7 : A C3p_endo anti
+A8 : G C3p_endo anti
+A9 : A C3p_endo anti
+A10 : C C3p_endo anti
+A11 : G C3p_endo anti
+A12 : A C3p_endo anti
+A13 : A C3p_endo anti
+A14 : A C3p_endo anti
+A15 : G C3p_endo anti
+A16 : U C3p_endo anti
+A17 : C C3p_endo anti
+A18 : C C3p_endo anti
+A19 : G C2p_endo anti
+A20 : A C3p_endo anti
+A21 : G C2p_exo anti
+A22 : C C3p_endo anti
+A23 : G C2p_exo anti
+A24 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+A23-A24 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A5-A19 : inward 
+A6-A20 : outward 
+Number of stackings = 17
+Number of adjacent stackings = 15
+Number of non adjacent stackings = 2
+Base-pairs ------------------------------------------------------
+A1-A24 : G-C Ww/Ww pairing antiparallel cis one_hbond 
+A2-A23 : U-G Ws/Ww pairing antiparallel cis XXVIII 
+A3-A22 : G-C Ww/Ww pairing antiparallel cis XIX 
+A4-A21 : C-G Ww/Ww pairing antiparallel cis XIX 
+A5-A20 : G-A Ss/Hh pairing antiparallel trans one_hbond 
+A7-A18 : A-C Wh/Ww pairing antiparallel cis one_hbond 78 
+A8-A17 : G-C Ww/Ww pairing antiparallel cis XIX 
+A9-A16 : A-U Ww/Ww pairing antiparallel cis XX 
+A10-A15 : C-G Ww/Ww pairing antiparallel cis XIX 
+A11-A14 : G-A Sw/Hh Ww/O2P Bs/O2P pairing antiparallel trans one_hbond 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : U C3p_endo anti
+A3 : G C2p_exo anti
+A4 : C C3p_endo anti
+A5 : G C3p_endo anti
+A6 : A C3p_endo anti
+A7 : A C3p_endo anti
+A8 : G C3p_endo anti
+A9 : A C3p_endo anti
+A10 : C C3p_endo anti
+A11 : G C3p_endo anti
+A12 : A C2p_exo anti
+A13 : A C3p_endo anti
+A14 : A C3p_endo anti
+A15 : G C3p_endo anti
+A16 : U C3p_endo anti
+A17 : C C3p_endo anti
+A18 : C C3p_endo anti
+A19 : G C2p_endo anti
+A20 : A C3p_endo anti
+A21 : G C3p_endo anti
+A22 : C C3p_endo anti
+A23 : G C2p_exo anti
+A24 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+A21-A22 : adjacent_5p upward 
+A23-A24 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A5-A19 : inward pairing 
+A6-A20 : outward 
+Number of stackings = 15
+Number of adjacent stackings = 13
+Number of non adjacent stackings = 2
+Base-pairs ------------------------------------------------------
+A2-A23 : U-G Ws/Ww pairing antiparallel cis XXVIII 
+A3-A22 : G-C Ww/Ww pairing antiparallel cis XIX 
+A4-A21 : C-G Ww/Ww pairing antiparallel cis XIX 
+A5-A19 : G-G Bs/O2' inward pairing 
+A5-A20 : G-A Ss/Hh pairing antiparallel trans one_hbond 
+A8-A17 : G-C Ww/Ww pairing antiparallel cis XIX 
+A9-A16 : A-U Ww/Ww pairing antiparallel cis XX 
+A10-A15 : C-G Ww/Ww pairing antiparallel cis XIX 
+A11-A13 : G-A Hh/O2P pairing 
+A11-A14 : G-A Sw/Hh Ww/O2P Bs/O2P pairing antiparallel trans one_hbond 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : U C3p_endo anti
+A3 : G C2p_exo anti
+A4 : C C3p_endo anti
+A5 : G C3p_endo anti
+A6 : A C3p_endo anti
+A7 : A C3p_endo anti
+A8 : G C3p_endo anti
+A9 : A C3p_endo anti
+A10 : C C3p_endo anti
+A11 : G C3p_endo anti
+A12 : A C3p_endo anti
+A13 : A C3p_endo anti
+A14 : A C3p_endo anti
+A15 : G C3p_endo anti
+A16 : U C3p_endo anti
+A17 : C C3p_endo anti
+A18 : C C3p_endo anti
+A19 : G C2p_endo anti
+A20 : A C3p_endo anti
+A21 : G C3p_endo anti
+A22 : C C3p_endo anti
+A23 : G C2p_exo anti
+A24 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+A21-A22 : adjacent_5p upward 
+A23-A24 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A5-A19 : inward 
+A6-A20 : outward 
+Number of stackings = 18
+Number of adjacent stackings = 16
+Number of non adjacent stackings = 2
+Base-pairs ------------------------------------------------------
+A1-A24 : G-C Ww/Ww pairing antiparallel cis one_hbond 
+A2-A23 : U-G Ws/Ww pairing antiparallel cis XXVIII 
+A3-A22 : G-C Ww/Ww pairing antiparallel cis XIX 
+A4-A21 : C-G Ww/Ww pairing antiparallel cis XIX 
+A5-A20 : G-A Ss/Hh pairing antiparallel trans XI 
+A8-A17 : G-C Ww/Ww pairing antiparallel cis XIX 
+A9-A16 : A-U Ww/Ww pairing antiparallel cis XX 
+A10-A15 : C-G Ww/Ww pairing antiparallel cis XIX 
+A11-A13 : G-A Hh/O2P pairing 
+A11-A14 : G-A Sw/Hh Ww/O2P Bs/O2P pairing antiparallel trans one_hbond 
+Residue conformations -------------------------------------------
+A1 : G C4p_exo anti
+A2 : U C3p_endo anti
+A3 : G C3p_endo anti
+A4 : C C3p_endo anti
+A5 : G C3p_endo anti
+A6 : A C3p_endo anti
+A7 : A C3p_endo anti
+A8 : G C3p_endo anti
+A9 : A C3p_endo anti
+A10 : C C3p_endo anti
+A11 : G C3p_endo anti
+A12 : A C2p_exo anti
+A13 : A C3p_endo anti
+A14 : A C3p_endo anti
+A15 : G C3p_endo anti
+A16 : U C3p_endo anti
+A17 : C C3p_endo anti
+A18 : C C3p_endo anti
+A19 : G C2p_endo anti
+A20 : A C3p_endo anti
+A21 : G C3p_endo anti
+A22 : C C3p_endo anti
+A23 : G C2p_exo anti
+A24 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+A23-A24 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A6-A20 : outward 
+Number of stackings = 17
+Number of adjacent stackings = 16
+Number of non adjacent stackings = 1
+Base-pairs ------------------------------------------------------
+A1-A24 : G-C Ww/Ww pairing antiparallel cis 
+A2-A23 : U-G Ws/Ww pairing antiparallel cis XXVIII 
+A3-A22 : G-C Ww/Ww pairing antiparallel cis XIX 
+A4-A21 : C-G Ww/Ww pairing antiparallel cis XIX 
+A5-A20 : G-A Ss/Hh pairing antiparallel trans XI 
+A8-A17 : G-C Ww/Ww pairing antiparallel cis XIX 
+A9-A16 : A-U Ww/Ww pairing antiparallel cis XX 
+A10-A15 : C-G Ww/Ww pairing antiparallel cis XIX 
+A11-A13 : G-A Ss/O2P pairing 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : U C3p_endo anti
+A3 : G C3p_endo anti
+A4 : C C3p_endo anti
+A5 : G C3p_endo anti
+A6 : A C3p_endo anti
+A7 : A C3p_endo anti
+A8 : G C2p_exo anti
+A9 : A C3p_endo anti
+A10 : C C3p_endo anti
+A11 : G C3p_endo anti
+A12 : A C2p_exo anti
+A13 : A C3p_endo anti
+A14 : A C3p_endo anti
+A15 : G C3p_endo anti
+A16 : U C3p_endo anti
+A17 : C C3p_endo anti
+A18 : C C3p_endo anti
+A19 : G C2p_endo anti
+A20 : A C3p_endo anti
+A21 : G C3p_endo anti
+A22 : C C3p_endo anti
+A23 : G C2p_exo anti
+A24 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A4-A5 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+A23-A24 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A5-A19 : inward 
+A6-A20 : outward 
+Number of stackings = 14
+Number of adjacent stackings = 12
+Number of non adjacent stackings = 2
+Base-pairs ------------------------------------------------------
+A1-A24 : G-C Ww/Ww pairing antiparallel cis 
+A2-A23 : U-G Ws/Ww pairing antiparallel cis XXVIII 
+A3-A22 : G-C Ww/Ww pairing antiparallel cis XIX 
+A4-A21 : C-G Ww/Ww pairing antiparallel cis XIX 
+A6-A19 : A-G Hh/Sw pairing antiparallel trans one_hbond 
+A8-A17 : G-C Ww/Ww pairing antiparallel cis XIX 
+A9-A16 : A-U Ww/Ww pairing antiparallel cis XX 
+A10-A15 : C-G Ww/Ww pairing antiparallel cis XIX 
+A11-A13 : G-A Ss/O2P pairing 
+A11-A14 : G-A Bs/O2P pairing 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : U C3p_endo anti
+A3 : G C2p_exo anti
+A4 : C C3p_endo anti
+A5 : G C4p_exo anti
+A6 : A C3p_endo anti
+A7 : A C3p_endo anti
+A8 : G C3p_endo anti
+A9 : A C3p_endo anti
+A10 : C C3p_endo anti
+A11 : G C3p_endo anti
+A12 : A C2p_exo anti
+A13 : A C3p_endo anti
+A14 : A C3p_endo anti
+A15 : G C3p_endo anti
+A16 : U C3p_endo anti
+A17 : C C3p_endo anti
+A18 : C C3p_endo anti
+A19 : G C2p_endo anti
+A20 : A C3p_endo anti
+A21 : G C3p_endo anti
+A22 : C C3p_endo anti
+A23 : G C2p_exo anti
+A24 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+A21-A22 : adjacent_5p upward 
+A23-A24 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A6-A20 : outward 
+Number of stackings = 17
+Number of adjacent stackings = 16
+Number of non adjacent stackings = 1
+Base-pairs ------------------------------------------------------
+A2-A3 : U-G O2'/Hh adjacent_5p pairing 
+A2-A23 : U-G Ws/Ww pairing antiparallel cis XXVIII 
+A3-A22 : G-C Ww/Ww pairing antiparallel cis XIX 
+A4-A21 : C-G Ww/Ww pairing antiparallel cis XIX 
+A5-A20 : G-A Ss/Hh O2'/Bh pairing antiparallel trans XI 
+A7-A18 : A-C Wh/Ww pairing antiparallel cis one_hbond 75 
+A8-A17 : G-C Ww/Ww pairing antiparallel cis XIX 
+A9-A16 : A-U Ww/Ww pairing antiparallel cis XX 
+A10-A15 : C-G Ww/Ww pairing antiparallel cis XIX 
+A11-A13 : G-A Ss/O2P pairing 
+A14-A15 : A-G O2P/Hh adjacent_5p pairing 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : U C3p_endo anti
+A3 : G C3p_endo anti
+A4 : C C3p_endo anti
+A5 : G C3p_endo anti
+A6 : A C3p_endo anti
+A7 : A C3p_endo anti
+A8 : G C3p_endo anti
+A9 : A C3p_endo anti
+A10 : C C3p_endo anti
+A11 : G C3p_endo anti
+A12 : A C2p_exo anti
+A13 : A C3p_endo anti
+A14 : A C3p_endo anti
+A15 : G C3p_endo anti
+A16 : U C3p_endo anti
+A17 : C C3p_endo anti
+A18 : C C3p_endo anti
+A19 : G C2p_endo anti
+A20 : A C3p_endo anti
+A21 : G C3p_endo anti
+A22 : C C3p_endo anti
+A23 : G C2p_exo anti
+A24 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A4-A5 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+A21-A22 : adjacent_5p upward 
+A23-A24 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A5-A19 : inward pairing 
+A6-A20 : outward 
+Number of stackings = 14
+Number of adjacent stackings = 12
+Number of non adjacent stackings = 2
+Base-pairs ------------------------------------------------------
+A1-A24 : G-C Ww/Ww pairing antiparallel cis one_hbond 
+A2-A23 : U-G Ws/Ww pairing antiparallel cis XXVIII 
+A3-A22 : G-C Ww/Ww pairing antiparallel cis XIX 
+A4-A21 : C-G Ww/Ww pairing antiparallel cis XIX 
+A5-A19 : G-G Bs/O2' inward pairing 
+A5-A20 : G-A Ss/Hh pairing antiparallel trans one_hbond 
+A6-A19 : A-G Hh/Sw pairing antiparallel trans one_hbond 
+A8-A17 : G-C Ww/Ww pairing antiparallel cis XIX 
+A9-A16 : A-U Ww/Ww pairing antiparallel cis XX 
+A10-A15 : C-G Ww/Ww pairing antiparallel cis XIX 
+A11-A13 : G-A Ss/O2P pairing 
+A11-A14 : G-A Bs/O2P pairing 
+A19-A20 : G-A O2'/Hh adjacent_5p pairing 
+Residue conformations -------------------------------------------
+A1 : G C2p_exo anti
+A2 : U C3p_endo anti
+A3 : G C2p_exo anti
+A4 : C C3p_endo anti
+A5 : G C4p_exo anti
+A6 : A C3p_endo anti
+A7 : A C3p_endo anti
+A8 : G C3p_endo anti
+A9 : A C3p_endo anti
+A10 : C C3p_endo anti
+A11 : G C3p_endo anti
+A12 : A C3p_endo anti
+A13 : A C3p_endo anti
+A14 : A C3p_endo anti
+A15 : G C3p_endo anti
+A16 : U C3p_endo anti
+A17 : C C3p_endo anti
+A18 : C C3p_endo anti
+A19 : G C2p_endo anti
+A20 : A C3p_endo anti
+A21 : G C3p_endo anti
+A22 : C C3p_endo anti
+A23 : G C2p_exo anti
+A24 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+A21-A22 : adjacent_5p upward 
+A23-A24 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A5-A19 : inward 
+A6-A20 : outward 
+Number of stackings = 17
+Number of adjacent stackings = 15
+Number of non adjacent stackings = 2
+Base-pairs ------------------------------------------------------
+A1-A24 : G-C Ww/Ww pairing antiparallel cis 
+A2-A3 : U-G O2'/Hh adjacent_5p pairing 
+A2-A23 : U-G Ws/Ww pairing antiparallel cis XXVIII 
+A3-A22 : G-C Ww/Ww pairing antiparallel cis XIX 
+A4-A21 : C-G Ww/Ww pairing antiparallel cis XIX 
+A5-A20 : G-A O2'/Bh pairing 
+A7-A18 : A-C Wh/Ww pairing antiparallel cis one_hbond 75 
+A8-A17 : G-C Ww/Ww pairing antiparallel cis XIX 
+A9-A16 : A-U Ww/Ww pairing antiparallel cis XX 
+A10-A15 : C-G Ww/Ww pairing antiparallel cis XIX 
+A11-A13 : G-A O2'/Hh pairing 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : U C3p_endo anti
+A3 : G C3p_endo anti
+A4 : C C3p_endo anti
+A5 : G C3p_endo anti
+A6 : A C3p_endo anti
+A7 : A C3p_endo anti
+A8 : G C3p_endo anti
+A9 : A C3p_endo anti
+A10 : C C3p_endo anti
+A11 : G C3p_endo anti
+A12 : A C3p_endo anti
+A13 : A C3p_endo anti
+A14 : A C3p_endo anti
+A15 : G C3p_endo anti
+A16 : U C3p_endo anti
+A17 : C C3p_endo anti
+A18 : C C3p_endo anti
+A19 : G C2p_endo anti
+A20 : A C3p_endo anti
+A21 : G C3p_endo anti
+A22 : C C3p_endo anti
+A23 : G C2p_exo anti
+A24 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+A23-A24 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A6-A20 : outward 
+A11-A15 : outward 
+Number of stackings = 15
+Number of adjacent stackings = 13
+Number of non adjacent stackings = 2
+Base-pairs ------------------------------------------------------
+A1-A24 : G-C Ww/Ww pairing antiparallel cis one_hbond 
+A2-A23 : U-G Ws/Ww pairing antiparallel cis XXVIII 
+A3-A22 : G-C Ww/Ww pairing antiparallel cis XIX 
+A4-A21 : C-G Ww/Ww pairing antiparallel cis XIX 
+A5-A20 : G-A Ss/Hh pairing antiparallel trans one_hbond 
+A6-A19 : A-G Hh/Sw pairing antiparallel trans one_hbond 
+A8-A17 : G-C Ww/Ww pairing antiparallel cis XIX 
+A9-A16 : A-U Ww/Ww pairing antiparallel cis XX 
+A10-A15 : C-G Ww/Ww pairing antiparallel cis XIX 
+Residue conformations -------------------------------------------
+A1 : G C2p_exo anti
+A2 : U C3p_endo anti
+A3 : G C2p_exo anti
+A4 : C C3p_endo anti
+A5 : G C3p_endo anti
+A6 : A C3p_endo anti
+A7 : A C3p_endo anti
+A8 : G C2p_exo anti
+A9 : A C3p_endo anti
+A10 : C C3p_endo anti
+A11 : G C3p_endo anti
+A12 : A C2p_exo anti
+A13 : A C3p_endo anti
+A14 : A C3p_endo anti
+A15 : G C3p_endo anti
+A16 : U C3p_endo anti
+A17 : C C3p_endo anti
+A18 : C C3p_endo anti
+A19 : G C1p_exo anti
+A20 : A C3p_endo anti
+A21 : G C3p_endo anti
+A22 : C C3p_endo anti
+A23 : G C2p_exo anti
+A24 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+A21-A22 : adjacent_5p upward 
+A23-A24 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A5-A19 : inward pairing 
+A6-A20 : outward 
+Number of stackings = 15
+Number of adjacent stackings = 13
+Number of non adjacent stackings = 2
+Base-pairs ------------------------------------------------------
+A1-A24 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A23 : U-G Ws/Ww pairing antiparallel cis XXVIII 
+A3-A22 : G-C Ww/Ww pairing antiparallel cis XIX 
+A4-A21 : C-G Ww/Ww pairing antiparallel cis XIX 
+A5-A19 : G-G Bs/O2' inward pairing 
+A5-A20 : G-A Ss/Hh pairing antiparallel trans XI 
+A6-A19 : A-G Hh/Sw pairing antiparallel trans one_hbond 
+A7-A18 : A-C Bs/Ws pairing antiparallel cis one_hbond 
+A8-A17 : G-C Ww/Ww pairing antiparallel cis XIX 
+A9-A16 : A-U Ww/Ww pairing antiparallel cis XX 
+A10-A15 : C-G Ww/Ww pairing antiparallel cis XIX 
+A11-A13 : G-A O2'/Hh pairing 
+Residue conformations -------------------------------------------
+A1 : G C2p_exo anti
+A2 : U C3p_endo anti
+A3 : G C3p_endo anti
+A4 : C C3p_endo anti
+A5 : G C3p_endo anti
+A6 : A C3p_endo anti
+A7 : A C3p_endo anti
+A8 : G C3p_endo anti
+A9 : A C3p_endo anti
+A10 : C C3p_endo anti
+A11 : G C3p_endo anti
+A12 : A C3p_endo anti
+A13 : A C3p_endo anti
+A14 : A C3p_endo anti
+A15 : G C3p_endo anti
+A16 : U C3p_endo anti
+A17 : C C3p_endo anti
+A18 : C C3p_endo anti
+A19 : G C2p_endo anti
+A20 : A C3p_endo anti
+A21 : G C3p_endo anti
+A22 : C C3p_endo anti
+A23 : G C2p_exo anti
+A24 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A4-A5 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+A21-A22 : adjacent_5p upward 
+A23-A24 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A5-A19 : inward pairing 
+A6-A20 : outward 
+Number of stackings = 16
+Number of adjacent stackings = 14
+Number of non adjacent stackings = 2
+Base-pairs ------------------------------------------------------
+A2-A23 : U-G Ws/Ww pairing antiparallel cis XXVIII 
+A3-A22 : G-C Ww/Ww pairing antiparallel cis XIX 
+A4-A21 : C-G Ww/Ww pairing antiparallel cis XIX 
+A5-A19 : G-G Bs/O2' inward pairing 
+A5-A20 : G-A Sw/Hh pairing antiparallel trans one_hbond 
+A7-A18 : A-C Wh/Ww pairing antiparallel cis one_hbond 75 
+A8-A17 : G-C Ww/Ww pairing antiparallel cis XIX 
+A9-A16 : A-U Ww/Ww pairing antiparallel cis XX 
+A10-A15 : C-G Ww/Ww pairing antiparallel cis XIX 
+A11-A13 : G-A Ss/O2P pairing 
+A11-A14 : G-A Bs/O2P pairing 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : U C3p_endo anti
+A3 : G C3p_endo anti
+A4 : C C3p_endo anti
+A5 : G C3p_endo anti
+A6 : A C3p_endo anti
+A7 : A C3p_endo anti
+A8 : G C3p_endo anti
+A9 : A C3p_endo anti
+A10 : C C3p_endo anti
+A11 : G C3p_endo anti
+A12 : A C2p_exo anti
+A13 : A C3p_endo anti
+A14 : A C3p_endo anti
+A15 : G C3p_endo anti
+A16 : U C3p_endo anti
+A17 : C C3p_endo anti
+A18 : C C3p_endo anti
+A19 : G C2p_endo anti
+A20 : A C3p_endo anti
+A21 : G C3p_endo anti
+A22 : C C3p_endo anti
+A23 : G C2p_exo anti
+A24 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A4-A5 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+A21-A22 : adjacent_5p upward 
+A23-A24 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A5-A19 : inward 
+A6-A20 : outward 
+Number of stackings = 18
+Number of adjacent stackings = 16
+Number of non adjacent stackings = 2
+Base-pairs ------------------------------------------------------
+A1-A24 : G-C Ww/Ww pairing antiparallel cis 
+A2-A23 : U-G Ws/Ww pairing antiparallel cis XXVIII 
+A3-A22 : G-C Ww/Ww pairing antiparallel cis XIX 
+A4-A21 : C-G Ww/Ww pairing antiparallel cis XIX 
+A5-A20 : G-A Sw/Hh pairing antiparallel trans one_hbond 
+A7-A18 : A-C Wh/Ww pairing antiparallel cis one_hbond 75 
+A8-A17 : G-C Ww/Ww pairing antiparallel cis XIX 
+A9-A16 : A-U Ww/Ww pairing antiparallel cis XX 
+A10-A15 : C-G Ww/Ww pairing antiparallel cis XIX 
+A11-A13 : G-A Ss/O2P pairing 
+A11-A14 : G-A Bs/O2P pairing 
+Residue conformations -------------------------------------------
+A1 : G C4p_exo anti
+A2 : U C3p_endo anti
+A3 : G C3p_endo anti
+A4 : C C3p_endo anti
+A5 : G C3p_endo anti
+A6 : A C3p_endo anti
+A7 : A C3p_endo anti
+A8 : G C3p_endo anti
+A9 : A C3p_endo anti
+A10 : C C3p_endo anti
+A11 : G C3p_endo anti
+A12 : A C2p_exo anti
+A13 : A C3p_endo anti
+A14 : A C3p_endo anti
+A15 : G C3p_endo anti
+A16 : U C3p_endo anti
+A17 : C C3p_endo anti
+A18 : C C3p_endo anti
+A19 : G C2p_endo anti
+A20 : A C3p_endo anti
+A21 : G C3p_endo anti
+A22 : C C3p_endo anti
+A23 : G C2p_exo anti
+A24 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A4-A5 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+A23-A24 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A5-A19 : inward pairing 
+A6-A20 : outward 
+Number of stackings = 15
+Number of adjacent stackings = 13
+Number of non adjacent stackings = 2
+Base-pairs ------------------------------------------------------
+A1-A24 : G-C Ww/Ww pairing antiparallel cis 
+A2-A23 : U-G Ws/Ww pairing antiparallel cis XXVIII 
+A3-A22 : G-C Ww/Ww pairing antiparallel cis XIX 
+A4-A21 : C-G Ww/Ww pairing antiparallel cis XIX 
+A5-A19 : G-G Bs/O2' inward pairing 
+A5-A20 : G-A Ss/Hh pairing antiparallel trans one_hbond 
+A7-A18 : A-C Wh/Ww pairing antiparallel cis one_hbond 75 
+A8-A17 : G-C Ww/Ww pairing antiparallel cis XIX 
+A9-A16 : A-U Ww/Ww pairing antiparallel cis XX 
+A10-A15 : C-G Ww/Ww pairing antiparallel cis XIX 
+Residue conformations -------------------------------------------
+A1 : G O4p_endo anti
+A2 : U C3p_endo anti
+A3 : G C2p_exo anti
+A4 : C C3p_endo anti
+A5 : G C3p_endo anti
+A6 : A C3p_endo anti
+A7 : A C3p_endo anti
+A8 : G C3p_endo anti
+A9 : A C3p_endo anti
+A10 : C C3p_endo anti
+A11 : G C3p_endo anti
+A12 : A C3p_endo anti
+A13 : A C3p_endo anti
+A14 : A C3p_endo anti
+A15 : G C3p_endo anti
+A16 : U C3p_endo anti
+A17 : C C3p_endo anti
+A18 : C C3p_endo anti
+A19 : G C2p_endo anti
+A20 : A C3p_endo anti
+A21 : G C3p_endo anti
+A22 : C C3p_endo anti
+A23 : G C2p_exo anti
+A24 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+A21-A22 : adjacent_5p upward 
+A23-A24 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A5-A19 : inward pairing 
+A6-A20 : outward 
+Number of stackings = 17
+Number of adjacent stackings = 15
+Number of non adjacent stackings = 2
+Base-pairs ------------------------------------------------------
+A1-A24 : G-C Ww/Ww pairing antiparallel cis 
+A2-A23 : U-G Ws/Ww pairing antiparallel cis XXVIII 
+A3-A22 : G-C Ww/Ww pairing antiparallel cis XIX 
+A4-A21 : C-G Ww/Ww pairing antiparallel cis XIX 
+A5-A19 : G-G Bs/O2' inward pairing 
+A5-A20 : G-A Sw/Hh pairing antiparallel trans one_hbond 
+A6-A19 : A-G Hh/Sw pairing antiparallel trans one_hbond 
+A7-A18 : A-C Wh/Ww pairing antiparallel cis one_hbond 75 
+A8-A17 : G-C Ww/Ww pairing antiparallel cis XIX 
+A9-A16 : A-U Ww/Ww pairing antiparallel cis XX 
+A10-A15 : C-G Ww/Ww pairing antiparallel cis XIX 
+A11-A14 : G-A Sw/Hh pairing antiparallel trans one_hbond 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : U C3p_endo anti
+A3 : G C3p_endo anti
+A4 : C C3p_endo anti
+A5 : G C3p_endo anti
+A6 : A C3p_endo anti
+A7 : A C3p_endo anti
+A8 : G C3p_endo anti
+A9 : A C3p_endo anti
+A10 : C C3p_endo anti
+A11 : G C3p_endo anti
+A12 : A C2p_exo anti
+A13 : A C3p_endo anti
+A14 : A C3p_endo anti
+A15 : G C3p_endo anti
+A16 : U C3p_endo anti
+A17 : C C3p_endo anti
+A18 : C C3p_endo anti
+A19 : G C2p_endo anti
+A20 : A C3p_endo anti
+A21 : G C3p_endo anti
+A22 : C C3p_endo anti
+A23 : G C2p_exo anti
+A24 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+A21-A22 : adjacent_5p upward 
+A23-A24 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A5-A19 : inward 
+A6-A20 : outward 
+Number of stackings = 18
+Number of adjacent stackings = 16
+Number of non adjacent stackings = 2
+Base-pairs ------------------------------------------------------
+A1-A24 : G-C Ww/Ww pairing antiparallel cis one_hbond 
+A2-A23 : U-G Ws/Ww pairing antiparallel cis XXVIII 
+A3-A22 : G-C Ww/Ww pairing antiparallel cis XIX 
+A4-A21 : C-G Ww/Ww pairing antiparallel cis XIX 
+A5-A20 : G-A Sw/Hh pairing antiparallel trans one_hbond 
+A6-A19 : A-G Hh/Sw pairing antiparallel trans one_hbond 
+A8-A17 : G-C Ww/Ww pairing antiparallel cis XIX 
+A9-A16 : A-U Ww/Ww pairing antiparallel cis XX 
+A10-A15 : C-G Ww/Ww pairing antiparallel cis XIX 
+A11-A14 : G-A Bs/O2P pairing 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : U C3p_endo anti
+A3 : G C2p_exo anti
+A4 : C C3p_endo anti
+A5 : G C3p_endo anti
+A6 : A C3p_endo anti
+A7 : A C3p_endo anti
+A8 : G C3p_endo anti
+A9 : A C3p_endo anti
+A10 : C C3p_endo anti
+A11 : G C3p_endo anti
+A12 : A C2p_exo anti
+A13 : A C3p_endo anti
+A14 : A C3p_endo anti
+A15 : G C3p_endo anti
+A16 : U C3p_endo anti
+A17 : C C3p_endo anti
+A18 : C C3p_endo anti
+A19 : G C2p_endo anti
+A20 : A C3p_endo anti
+A21 : G C3p_endo anti
+A22 : C C3p_endo anti
+A23 : G C2p_exo anti
+A24 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+A23-A24 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A5-A19 : inward 
+A6-A20 : outward 
+Number of stackings = 17
+Number of adjacent stackings = 15
+Number of non adjacent stackings = 2
+Base-pairs ------------------------------------------------------
+A1-A24 : G-C Ww/Ww pairing antiparallel cis 
+A2-A23 : U-G Ws/Ww pairing antiparallel cis XXVIII 
+A3-A22 : G-C Ww/Ww pairing antiparallel cis XIX 
+A4-A21 : C-G Ww/Ww pairing antiparallel cis XIX 
+A5-A20 : G-A Ss/Hh pairing antiparallel trans XI 
+A7-A18 : A-C Wh/Ws pairing antiparallel cis one_hbond 78 
+A8-A17 : G-C Ww/Ww pairing antiparallel cis XIX 
+A9-A16 : A-U Ww/Ww pairing antiparallel cis XX 
+A10-A15 : C-G Ww/Ww pairing antiparallel cis XIX 
+A11-A14 : G-A Bs/O2P pairing 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : U C3p_endo anti
+A3 : G C3p_endo anti
+A4 : C C3p_endo anti
+A5 : G C3p_endo anti
+A6 : A C3p_endo anti
+A7 : A C3p_endo anti
+A8 : G C3p_endo anti
+A9 : A C3p_endo anti
+A10 : C C3p_endo anti
+A11 : G C3p_endo anti
+A12 : A C2p_exo anti
+A13 : A C3p_endo anti
+A14 : A C3p_endo anti
+A15 : G C3p_endo anti
+A16 : U C3p_endo anti
+A17 : C C3p_endo anti
+A18 : C C3p_endo anti
+A19 : G C2p_endo anti
+A20 : A C3p_endo anti
+A21 : G C3p_endo anti
+A22 : C C3p_endo anti
+A23 : G C2p_exo anti
+A24 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A4-A5 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+A23-A24 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 13
+Number of adjacent stackings = 13
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A1-A24 : G-C Ww/Ww pairing antiparallel cis 
+A2-A23 : U-G Ws/Ww pairing antiparallel cis XXVIII 
+A3-A22 : G-C Ww/Ww pairing antiparallel cis XIX 
+A4-A21 : C-G Ww/Ww pairing antiparallel cis XIX 
+A5-A6 : G-A O2'/C8 adjacent_5p pairing 
+A5-A20 : G-A Ss/Hh pairing antiparallel trans XI 
+A8-A17 : G-C Ww/Ww pairing antiparallel cis XIX 
+A9-A16 : A-U Ww/Ww pairing antiparallel cis XX 
+A10-A15 : C-G Ww/Ww pairing antiparallel cis XIX 
+A11-A13 : G-A Ss/O2P pairing 
+A11-A14 : G-A Bs/O2P pairing 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : U C3p_endo anti
+A3 : G C3p_endo anti
+A4 : C C3p_endo anti
+A5 : G C3p_endo anti
+A6 : A C3p_endo anti
+A7 : A C3p_endo anti
+A8 : G C3p_endo anti
+A9 : A C2p_exo anti
+A10 : C C3p_endo anti
+A11 : G C3p_endo anti
+A12 : A C3p_endo anti
+A13 : A C3p_endo anti
+A14 : A C3p_endo anti
+A15 : G C3p_endo anti
+A16 : U C3p_endo anti
+A17 : C C3p_endo anti
+A18 : C C3p_endo anti
+A19 : G C2p_endo anti
+A20 : A C3p_endo anti
+A21 : G C3p_endo anti
+A22 : C C3p_endo anti
+A23 : G C2p_exo anti
+A24 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+A23-A24 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A5-A19 : inward 
+A6-A20 : outward 
+Number of stackings = 15
+Number of adjacent stackings = 13
+Number of non adjacent stackings = 2
+Base-pairs ------------------------------------------------------
+A1-A24 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A23 : U-G Ws/Ww pairing antiparallel cis XXVIII 
+A3-A22 : G-C Ww/Ww pairing antiparallel cis XIX 
+A4-A21 : C-G Ww/Ww pairing antiparallel cis XIX 
+A7-A18 : A-C Wh/Ws pairing antiparallel cis one_hbond 78 
+A8-A17 : G-C Ww/Ww pairing antiparallel cis XIX 
+A9-A16 : A-U Ww/Ww pairing antiparallel cis XX 
+A10-A15 : C-G Ww/Ww pairing antiparallel cis XIX 
+A11-A13 : G-A Ss/O2P pairing 
diff --git a/MCdata/1e7k_MC b/MCdata/1e7k_MC
new file mode 100644
index 0000000000000000000000000000000000000000..67fc7bbfc34214bb31f703277f58a357d6cbe883
--- /dev/null
+++ b/MCdata/1e7k_MC
@@ -0,0 +1,332 @@
+Residue conformations -------------------------------------------
+A4 : ALA
+A5 : ASP
+A6 : VAL
+A7 : ASN
+A8 : PRO
+A9 : LYS
+A10 : ALA
+A11 : TYR
+A12 : PRO
+A13 : LEU
+A14 : ALA
+A15 : ASP
+A16 : ALA
+A17 : HIS
+A18 : LEU
+A19 : THR
+A20 : LYS
+A21 : LYS
+A22 : LEU
+A23 : LEU
+A24 : ASP
+A25 : LEU
+A26 : VAL
+A27 : GLN
+A28 : GLN
+A29 : SER
+A30 : CYS
+A31 : ASN
+A32 : TYR
+A33 : LYS
+A34 : GLN
+A35 : LEU
+A36 : ARG
+A37 : LYS
+A38 : GLY
+A39 : ALA
+A40 : ASN
+A41 : GLU
+A42 : ALA
+A43 : THR
+A44 : LYS
+A45 : THR
+A46 : LEU
+A47 : ASN
+A48 : ARG
+A49 : GLY
+A50 : ILE
+A51 : SER
+A52 : GLU
+A53 : PHE
+A54 : ILE
+A55 : VAL
+A56 : MET
+A57 : ALA
+A58 : ALA
+A59 : ASP
+A60 : ALA
+A61 : GLU
+A62 : PRO
+A63 : LEU
+A64 : GLU
+A65 : ILE
+A66 : ILE
+A67 : LEU
+A68 : HIS
+A69 : LEU
+A70 : PRO
+A71 : LEU
+A72 : LEU
+A73 : CYS
+A74 : GLU
+A75 : ASP
+A76 : LYS
+A77 : ASN
+A78 : VAL
+A79 : PRO
+A80 : TYR
+A81 : VAL
+A82 : PHE
+A83 : VAL
+A84 : ARG
+A85 : SER
+A86 : LYS
+A87 : GLN
+A88 : ALA
+A89 : LEU
+A90 : GLY
+A91 : ARG
+A92 : ALA
+A93 : CYS
+A94 : GLY
+A95 : VAL
+A96 : SER
+A97 : ARG
+A98 : PRO
+A99 : VAL
+A100 : ILE
+A101 : ALA
+A102 : CYS
+A103 : SER
+A104 : VAL
+A105 : THR
+A106 : ILE
+A107 : LYS
+A108 : GLU
+A109 : GLY
+A110 : SER
+A111 : GLN
+A112 : LEU
+A113 : LYS
+A114 : GLN
+A115 : GLN
+A116 : ILE
+A117 : GLN
+A118 : SER
+A119 : ILE
+A120 : GLN
+A121 : GLN
+A122 : SER
+A123 : ILE
+A124 : GLU
+A125 : ARG
+A126 : LEU
+A127 : LEU
+A128 : VAL
+B6 : VAL
+B7 : ASN
+B8 : PRO
+B9 : LYS
+B10 : ALA
+B11 : TYR
+B12 : PRO
+B13 : LEU
+B14 : ALA
+B15 : ASP
+B16 : ALA
+B17 : HIS
+B18 : LEU
+B19 : THR
+B20 : LYS
+B21 : LYS
+B22 : LEU
+B23 : LEU
+B24 : ASP
+B25 : LEU
+B26 : VAL
+B27 : GLN
+B28 : GLN
+B29 : SER
+B30 : CYS
+B31 : ASN
+B32 : TYR
+B33 : LYS
+B34 : GLN
+B35 : LEU
+B36 : ARG
+B37 : LYS
+B38 : GLY
+B39 : ALA
+B40 : ASN
+B41 : GLU
+B42 : ALA
+B43 : THR
+B44 : LYS
+B45 : THR
+B46 : LEU
+B47 : ASN
+B48 : ARG
+B49 : GLY
+B50 : ILE
+B51 : SER
+B52 : GLU
+B53 : PHE
+B54 : ILE
+B55 : VAL
+B56 : MET
+B57 : ALA
+B58 : ALA
+B59 : ASP
+B60 : ALA
+B61 : GLU
+B62 : PRO
+B63 : LEU
+B64 : GLU
+B65 : ILE
+B66 : ILE
+B67 : LEU
+B68 : HIS
+B69 : LEU
+B70 : PRO
+B71 : LEU
+B72 : LEU
+B73 : CYS
+B74 : GLU
+B75 : ASP
+B76 : LYS
+B77 : ASN
+B78 : VAL
+B79 : PRO
+B80 : TYR
+B81 : VAL
+B82 : PHE
+B83 : VAL
+B84 : ARG
+B85 : SER
+B86 : LYS
+B87 : GLN
+B88 : ALA
+B89 : LEU
+B90 : GLY
+B91 : ARG
+B92 : ALA
+B93 : CYS
+B94 : GLY
+B95 : VAL
+B96 : SER
+B97 : ARG
+B98 : PRO
+B99 : VAL
+B100 : ILE
+B101 : ALA
+B102 : CYS
+B103 : SER
+B104 : VAL
+B105 : THR
+B106 : ILE
+B107 : LYS
+B108 : GLU
+B109 : GLY
+B110 : SER
+B111 : GLN
+B112 : LEU
+B113 : LYS
+B114 : GLN
+B115 : GLN
+B116 : ILE
+B117 : GLN
+B118 : SER
+B119 : ILE
+B120 : GLN
+B121 : GLN
+B122 : SER
+B123 : ILE
+B124 : GLU
+B125 : ARG
+B126 : LEU
+B127 : LEU
+B128 : VAL
+C26 : G C2p_exo anti
+C27 : C C3p_endo anti
+C28 : C C3p_endo anti
+C29 : A C3p_endo anti
+C30 : A C2p_endo syn
+C31 : U C2p_endo anti
+C32 : G C2p_endo anti
+C33 : A C4p_exo anti
+C34 : G C2p_endo anti
+C35 : G C2p_exo anti
+C41 : C C3p_endo anti
+C42 : C C3p_endo anti
+C43 : G C2p_endo anti
+C44 : A C2p_endo anti
+C45 : G C3p_endo anti
+C46 : G C3p_endo anti
+C47 : C C3p_endo anti
+D26 : G C3p_endo anti
+D27 : C C3p_endo anti
+D28 : C C3p_endo anti
+D29 : A C3p_endo anti
+D30 : A C2p_endo syn
+D31 : U C2p_endo anti
+D32 : G C2p_endo anti
+D33 : A C4p_exo anti
+D34 : G C2p_endo anti
+D35 : G C3p_endo anti
+D41 : C C3p_endo anti
+D42 : C C3p_endo anti
+D43 : G O4p_endo anti
+D44 : A C2p_endo anti
+D45 : G C3p_endo anti
+D46 : G C3p_endo anti
+D47 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+C26-C27 : adjacent_5p upward 
+C27-C28 : adjacent_5p upward 
+C28-C29 : adjacent_5p upward 
+C33-C34 : adjacent_5p upward 
+C34-C35 : adjacent_5p upward 
+C41-C42 : adjacent_5p upward 
+C42-C43 : adjacent_5p upward 
+C45-C46 : adjacent_5p upward 
+C46-C47 : adjacent_5p upward 
+D26-D27 : adjacent_5p upward 
+D28-D29 : adjacent_5p upward 
+D33-D34 : adjacent_5p upward 
+D34-D35 : adjacent_5p upward 
+D41-D42 : adjacent_5p upward 
+D42-D43 : adjacent_5p upward 
+D45-D46 : adjacent_5p upward 
+D46-D47 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+C30-C44 : inward pairing 
+C33-C44 : outward 
+D30-D44 : inward pairing 
+D32-D43 : inward pairing 
+D33-D44 : outward 
+Number of stackings = 22
+Number of adjacent stackings = 17
+Number of non adjacent stackings = 5
+Base-pairs ------------------------------------------------------
+C26-C47 : G-C Ww/Ww pairing antiparallel cis XIX 
+C27-C46 : C-G Ww/Ww pairing antiparallel cis XIX 
+C28-C45 : C-G Ww/Ww pairing antiparallel cis XIX 
+C29-C44 : A-A O2'/Ww pairing 
+C30-C44 : A-A Bh/O2' inward pairing 
+C32-C44 : G-A Ss/Hh pairing antiparallel trans XI 
+C33-C43 : A-G Hh/Ss pairing antiparallel trans XI 
+C33-C45 : A-G O2'/Bs O2'/Ss Ss/O2' pairing 
+C34-C42 : G-C Ww/Ww pairing antiparallel cis XIX 
+C35-C41 : G-C Ww/Ww pairing antiparallel cis XIX 
+D26-D47 : G-C Ww/Ww pairing antiparallel cis XIX 
+D27-D46 : C-G Ww/Ww pairing antiparallel cis XIX 
+D28-D45 : C-G Ww/Ww pairing antiparallel cis XIX 
+D29-D44 : A-A O2'/Ww pairing 
+D30-D44 : A-A Bh/O2' inward pairing 
+D32-D43 : G-G Bs/O2' inward pairing 
+D32-D44 : G-A Ss/Hh pairing antiparallel trans XI 
+D33-D43 : A-G Hh/Ss pairing antiparallel trans XI 
+D33-D45 : A-G O2'/Ss pairing 
+D34-D42 : G-C Ww/Ww pairing antiparallel cis XIX 
+D35-D41 : G-C Ww/Ww pairing antiparallel cis XIX 
diff --git a/MCdata/1e8o_MC b/MCdata/1e8o_MC
new file mode 100644
index 0000000000000000000000000000000000000000..d1e940ffcc4fc814d0cc8a508ecb4116a3bc7206
--- /dev/null
+++ b/MCdata/1e8o_MC
@@ -0,0 +1,434 @@
+Residue conformations -------------------------------------------
+A2 : PRO
+A3 : GLN
+A4 : TYR
+A5 : GLN
+A6 : THR
+A7 : TRP
+A8 : GLU
+A9 : GLU
+A10 : PHE
+A11 : SER
+A12 : ARG
+A13 : ALA
+A14 : ALA
+A15 : GLU
+A16 : LYS
+A17 : LEU
+A18 : TYR
+A19 : LEU
+A20 : ALA
+A21 : ASP
+A22 : PRO
+A23 : MET
+A24 : LYS
+A25 : ALA
+A26 : ARG
+A27 : VAL
+A28 : VAL
+A29 : LEU
+A30 : LYS
+A31 : TYR
+A32 : ARG
+A33 : HIS
+A34 : SER
+A35 : ASP
+A36 : GLY
+A37 : ASN
+A38 : LEU
+A39 : CYS
+A40 : VAL
+A41 : LYS
+A42 : VAL
+A43 : THR
+A44 : ASP
+A45 : ASP
+A46 : LEU
+A47 : VAL
+A48 : CYS
+A49 : LEU
+A50 : VAL
+A51 : TYR
+A52 : LYS
+A53 : THR
+A54 : ASP
+A55 : GLN
+A56 : ALA
+A57 : GLN
+A58 : ASP
+A59 : VAL
+A60 : LYS
+A61 : LYS
+A62 : ILE
+A63 : GLU
+A64 : LYS
+A65 : PHE
+A66 : HIS
+A67 : SER
+A68 : GLN
+A69 : LEU
+A70 : MET
+A71 : ARG
+A72 : LEU
+A73 : MET
+A74 : VAL
+A75 : ALA
+B2 : VAL
+B3 : LEU
+B4 : LEU
+B5 : GLU
+B6 : SER
+B7 : GLU
+B8 : GLN
+B9 : PHE
+B10 : LEU
+B11 : THR
+B12 : GLU
+B13 : LEU
+B14 : THR
+B15 : ARG
+B16 : LEU
+B17 : PHE
+B18 : GLN
+B19 : LYS
+B20 : CYS
+B21 : ARG
+B22 : THR
+B23 : SER
+B24 : GLY
+B25 : SER
+B26 : VAL
+B27 : TYR
+B28 : ILE
+B29 : THR
+B30 : LEU
+B31 : LYS
+B32 : LYS
+B33 : TYR
+B34 : ASP
+B54 : ASN
+B55 : LYS
+B56 : CYS
+B57 : LEU
+B58 : LEU
+B59 : ARG
+B60 : ALA
+B61 : THR
+B62 : ASP
+B63 : GLY
+B64 : LYS
+B65 : LYS
+B66 : LYS
+B67 : ILE
+B68 : SER
+B69 : THR
+B70 : VAL
+B71 : VAL
+B72 : SER
+B73 : SER
+B74 : LYS
+B75 : GLU
+B76 : VAL
+B77 : ASN
+B78 : LYS
+B79 : PHE
+B80 : GLN
+B81 : MET
+B82 : ALA
+B83 : TYR
+B84 : SER
+B85 : ASN
+B86 : LEU
+B87 : LEU
+B88 : ARG
+B89 : ALA
+B90 : ASN
+B91 : MET
+B92 : ASP
+B93 : GLY
+B94 : LEU
+B95 : LYS
+C5 : GLN
+C6 : THR
+C7 : TRP
+C8 : GLU
+C9 : GLU
+C10 : PHE
+C11 : SER
+C12 : ARG
+C13 : ALA
+C14 : ALA
+C15 : GLU
+C16 : LYS
+C17 : LEU
+C18 : TYR
+C19 : LEU
+C20 : ALA
+C21 : ASP
+C22 : PRO
+C23 : MET
+C24 : LYS
+C25 : ALA
+C26 : ARG
+C27 : VAL
+C28 : VAL
+C29 : LEU
+C30 : LYS
+C31 : TYR
+C32 : ARG
+C33 : HIS
+C34 : SER
+C35 : ASP
+C36 : GLY
+C37 : ASN
+C38 : LEU
+C39 : CYS
+C40 : VAL
+C41 : LYS
+C42 : VAL
+C43 : THR
+C44 : ASP
+C45 : ASP
+C46 : LEU
+C47 : VAL
+C48 : CYS
+C49 : LEU
+C50 : VAL
+C51 : TYR
+C52 : LYS
+C53 : THR
+C54 : ASP
+C55 : GLN
+C56 : ALA
+C57 : GLN
+C58 : ASP
+C59 : VAL
+C60 : LYS
+C61 : LYS
+C62 : ILE
+C63 : GLU
+C64 : LYS
+C65 : PHE
+C66 : HIS
+C67 : SER
+C68 : GLN
+C69 : LEU
+C70 : MET
+C71 : ARG
+C72 : LEU
+C73 : MET
+C74 : VAL
+C75 : ALA
+D2 : VAL
+D3 : LEU
+D4 : LEU
+D5 : GLU
+D6 : SER
+D7 : GLU
+D8 : GLN
+D9 : PHE
+D10 : LEU
+D11 : THR
+D12 : GLU
+D13 : LEU
+D14 : THR
+D15 : ARG
+D16 : LEU
+D17 : PHE
+D18 : GLN
+D19 : LYS
+D20 : CYS
+D21 : ARG
+D22 : THR
+D23 : SER
+D24 : GLY
+D25 : SER
+D26 : VAL
+D27 : TYR
+D28 : ILE
+D29 : THR
+D30 : LEU
+D31 : LYS
+D32 : LYS
+D33 : TYR
+D34 : ASP
+D35 : GLY
+D54 : ASN
+D55 : LYS
+D56 : CYS
+D57 : LEU
+D58 : LEU
+D59 : ARG
+D60 : ALA
+D61 : THR
+D62 : ASP
+D63 : GLY
+D64 : LYS
+D65 : LYS
+D66 : LYS
+D67 : ILE
+D68 : SER
+D69 : THR
+D70 : VAL
+D71 : VAL
+D72 : SER
+D73 : SER
+D74 : LYS
+D75 : GLU
+D76 : VAL
+D77 : ASN
+D78 : LYS
+D79 : PHE
+D80 : GLN
+D81 : MET
+D82 : ALA
+D83 : TYR
+D84 : SER
+D85 : ASN
+D86 : LEU
+D87 : LEU
+D88 : ARG
+D89 : ALA
+D90 : ASN
+D91 : MET
+D92 : ASP
+D93 : GLY
+D94 : LEU
+D95 : LYS
+E99 : GDP
+E100 : G C3p_endo anti
+E101 : G C3p_endo anti
+E102 : C C3p_endo anti
+E103 : C C3p_endo anti
+E104 : G C3p_endo anti
+E105 : G C3p_endo anti
+E106 : G C3p_endo anti
+E107 : C C3p_endo anti
+E108 : G C3p_endo anti
+E109 : C C3p_endo anti
+E110 : G C3p_endo anti
+E111 : G C3p_endo anti
+E112 : U C3p_endo anti
+E113 : G C3p_endo anti
+E114 : G C3p_endo anti
+E115 : C C3p_endo anti
+E116 : G C3p_endo anti
+E117 : C C3p_endo anti
+E118 : G C3p_endo anti
+E119 : C C3p_endo anti
+E120 : G C3p_endo anti
+E121 : C C3p_endo anti
+E122 : C C3p_endo anti
+E123 : U C3p_endo anti
+E124 : G C3p_endo anti
+E125 : U C3p_endo anti
+E126 : A C3p_endo anti
+E127 : G C3p_endo anti
+E128 : U C3p_exo anti
+E129 : C C3p_endo anti
+E130 : C C3p_endo anti
+E131 : C C3p_endo anti
+E132 : A C2p_endo anti
+E133 : G C3p_endo anti
+E134 : C C3p_endo anti
+E135 : U C2p_endo anti
+E136 : A C3p_exo anti
+E137 : C C3p_endo syn
+E138 : U C3p_exo anti
+E139 : C C3p_exo anti
+E140 : G C3p_endo anti
+E141 : G C3p_endo anti
+E142 : G C3p_endo anti
+E143 : A C3p_endo anti
+E144 : G C3p_endo anti
+E145 : G C3p_endo anti
+E146 : C C3p_endo anti
+E147 : U C3p_endo anti
+E148 : C C4p_endo anti
+A1076 : SO4
+B1002 : SO4
+E1149 : SO4
+A2001 : HOH
+B2001 : HOH
+B2002 : HOH
+C2001 : HOH
+D2001 : HOH
+D2002 : HOH
+D2003 : HOH
+E2001 : HOH
+E2002 : HOH
+E2003 : HOH
+E2004 : HOH
+E2005 : HOH
+E2006 : HOH
+E2007 : HOH
+E2008 : HOH
+E2009 : HOH
+E2010 : HOH
+E2011 : HOH
+E2012 : HOH
+E2013 : HOH
+E2014 : HOH
+E2015 : HOH
+Adjacent stackings ----------------------------------------------
+E100-E101 : adjacent_5p upward 
+E101-E102 : adjacent_5p upward 
+E104-E105 : adjacent_5p upward 
+E105-E106 : adjacent_5p upward 
+E106-E107 : adjacent_5p upward 
+E108-E109 : adjacent_5p upward 
+E110-E111 : adjacent_5p upward 
+E111-E112 : adjacent_5p upward 
+E113-E114 : adjacent_5p upward 
+E114-E115 : adjacent_5p upward 
+E115-E116 : adjacent_5p upward 
+E118-E119 : adjacent_5p upward 
+E120-E121 : adjacent_5p upward 
+E122-E123 : adjacent_5p upward 
+E124-E125 : adjacent_5p upward 
+E126-E127 : adjacent_5p upward 
+E129-E130 : adjacent_5p upward 
+E131-E132 : adjacent_5p upward 
+E133-E134 : adjacent_5p upward 
+E134-E135 : adjacent_5p upward 
+E140-E141 : adjacent_5p upward 
+E141-E142 : adjacent_5p upward 
+E142-E143 : adjacent_5p upward 
+E143-E144 : adjacent_5p upward 
+E144-E145 : adjacent_5p upward 
+E145-E146 : adjacent_5p upward 
+E146-E147 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+E104-E124 : outward 
+E108-E120 : outward 
+E110-E118 : outward 
+E113-E136 : outward 
+E132-E140 : outward 
+Number of stackings = 32
+Number of adjacent stackings = 27
+Number of non adjacent stackings = 5
+Base-pairs ------------------------------------------------------
+E100-E147 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+E101-E146 : G-C Ww/Ww pairing antiparallel cis XIX 
+E102-E145 : C-G Ww/Ww pairing antiparallel cis XIX 
+E103-E144 : C-G Ww/Ww pairing antiparallel cis XIX 
+E104-E123 : G-U Ww/Ws pairing antiparallel cis one_hbond 
+E105-E122 : G-C Ww/Ww pairing antiparallel cis XIX 
+E106-E121 : G-C Ww/Ww pairing antiparallel cis XIX 
+E107-E120 : C-G Ww/Ww pairing antiparallel cis XIX 
+E108-E119 : G-C Ww/Ww pairing antiparallel cis XIX 
+E109-E118 : C-G Ww/Ww pairing antiparallel cis XIX 
+E110-E117 : G-C Ww/Ww pairing antiparallel cis XIX 
+E111-E116 : G-G Bs/Hh pairing antiparallel trans 34 
+E112-E114 : U-G O2'/Hh pairing 
+E112-E115 : U-C Ww/O2P pairing 
+E113-E137 : G-C Ww/Ww pairing antiparallel cis XIX 
+E114-E134 : G-C Ww/Ww pairing antiparallel cis XIX 
+E115-E133 : C-G Ww/Ww pairing antiparallel cis XIX 
+E116-E132 : G-A O2'/Ww pairing 
+E125-E127 : U-G O2'/Hh pairing 
+E128-E143 : U-A Ww/Ww pairing antiparallel cis XX 
+E129-E142 : C-G Ww/Ww pairing antiparallel cis XIX 
+E130-E141 : C-G Ww/Ww pairing antiparallel cis XIX 
+E131-E140 : C-G Ww/Ww pairing antiparallel cis XIX 
+E133-E140 : G-G O2'/Ss pairing 
diff --git a/MCdata/1e8s_MC b/MCdata/1e8s_MC
new file mode 100644
index 0000000000000000000000000000000000000000..3a4fdeaeb58d41887949f309bdd4f0c0512c6fb1
--- /dev/null
+++ b/MCdata/1e8s_MC
@@ -0,0 +1,242 @@
+Residue conformations -------------------------------------------
+A5 : GLN
+A6 : THR
+A7 : TRP
+A8 : GLU
+A9 : GLU
+A10 : PHE
+A11 : SER
+A12 : ARG
+A13 : ALA
+A14 : ALA
+A15 : GLU
+A16 : LYS
+A17 : LEU
+A18 : TYR
+A19 : LEU
+A20 : ALA
+A21 : ASP
+A22 : PRO
+A23 : MET
+A24 : LYS
+A25 : ALA
+A26 : ARG
+A27 : VAL
+A28 : VAL
+A29 : LEU
+A30 : LYS
+A31 : TYR
+A32 : ARG
+A33 : HIS
+A34 : SER
+A35 : ASP
+A36 : GLY
+A37 : ASN
+A38 : LEU
+A39 : CYS
+A40 : VAL
+A41 : LYS
+A42 : VAL
+A43 : THR
+A44 : ASP
+A45 : ASP
+A46 : LEU
+A47 : VAL
+A48 : CYS
+A49 : LEU
+A50 : VAL
+A51 : TYR
+A52 : LYS
+A53 : THR
+A54 : ASP
+A55 : GLN
+A56 : ALA
+A57 : GLN
+A58 : ASP
+A59 : VAL
+A60 : LYS
+A61 : LYS
+A62 : ILE
+A63 : GLU
+A64 : LYS
+A65 : PHE
+A66 : HIS
+A67 : SER
+A68 : GLN
+A69 : LEU
+A70 : MET
+A71 : ARG
+A72 : LEU
+A73 : MET
+A74 : VAL
+A75 : ALA
+B2 : VAL
+B3 : LEU
+B4 : LEU
+B5 : GLU
+B6 : SER
+B7 : GLU
+B8 : GLN
+B9 : PHE
+B10 : LEU
+B11 : THR
+B12 : GLU
+B13 : LEU
+B14 : THR
+B15 : ARG
+B16 : LEU
+B17 : PHE
+B18 : GLN
+B19 : LYS
+B20 : CYS
+B21 : ARG
+B22 : THR
+B23 : SER
+B24 : GLY
+B25 : SER
+B26 : VAL
+B27 : TYR
+B28 : ILE
+B29 : THR
+B30 : LEU
+B31 : LYS
+B32 : LYS
+B33 : TYR
+B34 : ASP
+B35 : GLY
+B54 : ASN
+B55 : LYS
+B56 : CYS
+B57 : LEU
+B58 : LEU
+B59 : ARG
+B60 : ALA
+B61 : THR
+B62 : ASP
+B63 : GLY
+B64 : LYS
+B65 : LYS
+B66 : LYS
+B67 : ILE
+B68 : SER
+B69 : THR
+B70 : VAL
+B71 : VAL
+B72 : SER
+B73 : SER
+B74 : LYS
+B75 : GLU
+B76 : VAL
+B77 : ASN
+B78 : LYS
+B79 : PHE
+B80 : GLN
+B81 : MET
+B82 : ALA
+B83 : TYR
+B84 : SER
+B85 : ASN
+B86 : LEU
+B87 : LEU
+B88 : ARG
+B89 : ALA
+B90 : ASN
+B91 : MET
+B92 : ASP
+B93 : GLY
+B94 : LEU
+B95 : LYS
+C380 : G unknown unknown
+C381 : C unknown unknown
+C382 : U unknown unknown
+C383 : A unknown unknown
+C384 : G unknown unknown
+C385 : C unknown unknown
+C386 : G unknown unknown
+C387 : A unknown unknown
+C388 : G unknown unknown
+C389 : A unknown unknown
+C390 : C unknown unknown
+C391 : C unknown unknown
+C392 : C unknown unknown
+C393 : C unknown unknown
+C394 : G unknown unknown
+C395 : U unknown unknown
+C396 : C unknown unknown
+C397 : U unknown unknown
+C398 : C unknown unknown
+C399 : U unknown unknown
+C101 : G unknown unknown
+C102 : C unknown unknown
+C103 : C unknown unknown
+C104 : G unknown unknown
+C105 : G unknown unknown
+C106 : G unknown unknown
+C107 : C unknown unknown
+C108 : G unknown unknown
+C109 : C unknown unknown
+C110 : G unknown unknown
+C111 : G unknown unknown
+C112 : U unknown unknown
+C113 : G unknown unknown
+C114 : G unknown unknown
+C115 : C unknown unknown
+C116 : G unknown unknown
+C117 : C unknown unknown
+C118 : G unknown unknown
+C119 : C unknown unknown
+C120 : G unknown unknown
+C121 : C unknown unknown
+C122 : C unknown unknown
+C123 : U unknown unknown
+C124 : G unknown unknown
+C125 : U unknown unknown
+C126 : A unknown unknown
+C127 : G unknown unknown
+C128 : U unknown unknown
+C129 : C unknown unknown
+C130 : C unknown unknown
+C131 : C unknown unknown
+C132 : A unknown unknown
+C133 : G unknown unknown
+C134 : C unknown unknown
+C135 : U unknown unknown
+C136 : A unknown unknown
+C137 : C unknown unknown
+C138 : U unknown unknown
+C139 : C unknown unknown
+C140 : G unknown unknown
+C141 : G unknown unknown
+C142 : G unknown unknown
+C143 : A unknown unknown
+C144 : G unknown unknown
+C145 : G unknown unknown
+C146 : C unknown unknown
+C147 : U unknown unknown
+C148 : G unknown unknown
+C149 : A unknown unknown
+C150 : G unknown unknown
+C151 : G unknown unknown
+C152 : U unknown unknown
+C153 : G unknown unknown
+C154 : G unknown unknown
+C155 : G unknown unknown
+C156 : A unknown unknown
+C157 : G unknown unknown
+C158 : G unknown unknown
+C159 : A unknown unknown
+C160 : U unknown unknown
+C161 : C unknown unknown
+C162 : G unknown unknown
+C163 : C unknown unknown
+C164 : U unknown unknown
+C165 : A unknown unknown
+C166 : G unknown unknown
+C1001 : EU3
+C1002 : EU3
+Adjacent stackings ----------------------------------------------
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 0
+Number of adjacent stackings = 0
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
diff --git a/MCdata/1e95_MC b/MCdata/1e95_MC
new file mode 100644
index 0000000000000000000000000000000000000000..41c244a603f5f3473bdf2d5768748260ef9b2b2a
--- /dev/null
+++ b/MCdata/1e95_MC
@@ -0,0 +1,1214 @@
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : C C3p_endo anti
+A3 : G C3p_endo anti
+A4 : G C3p_endo anti
+A5 : C C3p_endo anti
+A6 : C C3p_endo anti
+A7 : A C2p_endo anti
+A8 : G C3p_endo anti
+A9 : C C3p_endo anti
+A10 : U C3p_endo anti
+A11 : C C3p_endo anti
+A12 : C C3p_endo anti
+A13 : A C3p_endo anti
+A14 : G C3p_endo anti
+A15 : G C3p_endo anti
+A16 : C C3p_endo anti
+A17 : C C3p_endo anti
+A18 : G C3p_endo anti
+A19 : C C1p_exo anti
+A20 : C C2p_endo anti
+A21 : A C3p_endo anti
+A22 : A C4p_exo anti
+A23 : A O4p_endo anti
+A24 : C C2p_endo anti
+A25 : A C3p_endo anti
+A26 : A C3p_endo anti
+A27 : U C3p_endo anti
+A28 : A C2p_endo anti
+A29 : U C3p_endo anti
+A30 : G C3p_endo anti
+A31 : G C4p_exo anti
+A32 : A C3p_endo anti
+A33 : G C3p_endo anti
+A34 : C C3p_endo anti
+A35 : A C3p_endo anti
+A36 : C C4p_exo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A21-A22 : adjacent_5p upward 
+A25-A26 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+A29-A30 : adjacent_5p upward 
+A30-A31 : adjacent_5p upward 
+A31-A32 : adjacent_5p upward 
+A32-A33 : adjacent_5p upward 
+A33-A34 : adjacent_5p upward 
+A35-A36 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A3-A18 : outward 
+A8-A35 : outward 
+A23-A25 : upward 
+Number of stackings = 21
+Number of adjacent stackings = 18
+Number of non adjacent stackings = 3
+Base-pairs ------------------------------------------------------
+A1-A19 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A18 : C-G Ww/Ww pairing antiparallel cis XIX 
+A3-A17 : G-C Ww/Ww pairing antiparallel cis XIX 
+A4-A16 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-A15 : C-G Ww/Ww pairing antiparallel cis XIX 
+A5-A26 : C-A O2'/Bh pairing 
+A6-A14 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-A34 : G-C Ww/Ww pairing antiparallel cis XIX 
+A9-A33 : C-G Ww/Ww pairing antiparallel cis XIX 
+A10-A32 : U-A Ww/Ww pairing antiparallel cis XX 
+A11-A31 : C-G Ww/Ww pairing antiparallel cis XIX 
+A12-A30 : C-G Ww/Ww pairing antiparallel cis XIX 
+A13-A29 : A-U Wh/Bh pairing antiparallel cis one_hbond 48 
+A16-A26 : C-A Ss/Bs pairing antiparallel cis one_hbond 
+A18-A21 : G-A Sw/Ww pairing antiparallel cis one_hbond 55 
+A18-A22 : G-A O2'/Ww pairing 
+A22-A23 : A-A O2'/C8 adjacent_5p pairing 
+A27-A28 : U-A O2'/Hh adjacent_5p pairing 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : C C3p_endo anti
+A3 : G C3p_endo anti
+A4 : G C3p_endo anti
+A5 : C C3p_endo anti
+A6 : C C3p_endo anti
+A7 : A C2p_endo anti
+A8 : G C3p_endo anti
+A9 : C C3p_endo anti
+A10 : U C3p_endo anti
+A11 : C C3p_endo anti
+A12 : C C3p_endo anti
+A13 : A C3p_endo anti
+A14 : G C3p_endo anti
+A15 : G C3p_endo anti
+A16 : C C3p_endo anti
+A17 : C C3p_endo anti
+A18 : G C3p_endo anti
+A19 : C C2p_endo anti
+A20 : C C2p_endo anti
+A21 : A C3p_endo anti
+A22 : A C4p_exo anti
+A23 : A O4p_endo anti
+A24 : C C2p_endo anti
+A25 : A C3p_endo anti
+A26 : A C3p_endo anti
+A27 : U C3p_endo anti
+A28 : A C2p_endo anti
+A29 : U C3p_endo anti
+A30 : G C3p_endo anti
+A31 : G C4p_exo anti
+A32 : A C3p_endo anti
+A33 : G C3p_endo anti
+A34 : C C3p_endo anti
+A35 : A C3p_endo anti
+A36 : C C4p_exo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A21-A22 : adjacent_5p upward pairing 
+A25-A26 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+A29-A30 : adjacent_5p upward 
+A30-A31 : adjacent_5p upward 
+A31-A32 : adjacent_5p upward 
+A32-A33 : adjacent_5p upward 
+A33-A34 : adjacent_5p upward 
+A35-A36 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A3-A18 : outward 
+A8-A35 : outward 
+A23-A25 : upward pairing 
+Number of stackings = 21
+Number of adjacent stackings = 18
+Number of non adjacent stackings = 3
+Base-pairs ------------------------------------------------------
+A1-A19 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A18 : C-G Ww/Ww pairing antiparallel cis XIX 
+A3-A17 : G-C Ww/Ww pairing antiparallel cis XIX 
+A4-A16 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-A15 : C-G Ww/Ww pairing antiparallel cis XIX 
+A5-A26 : C-A O2'/Bh pairing 
+A6-A14 : C-G Ww/Ww pairing antiparallel cis XIX 
+A7-A30 : A-G Ww/O2P pairing 
+A8-A34 : G-C Ww/Ww pairing antiparallel cis XIX 
+A9-A33 : C-G Ww/Ww pairing antiparallel cis XIX 
+A10-A32 : U-A Ww/Ww pairing antiparallel cis XX 
+A11-A31 : C-G Ww/Ww pairing antiparallel cis XIX 
+A12-A30 : C-G Ww/Ww pairing antiparallel cis XIX 
+A13-A29 : A-U Wh/Bh pairing antiparallel cis one_hbond 
+A14-A28 : G-A O2'/Ww pairing 
+A16-A26 : C-A Ss/Bs pairing antiparallel cis one_hbond 
+A18-A21 : G-A Sw/Ww pairing antiparallel cis one_hbond 55 
+A21-A22 : A-A O2'/C8 adjacent_5p upward pairing 
+A22-A23 : A-A O2'/C8 adjacent_5p pairing 
+A23-A25 : A-A O2'/Hh upward pairing 
+A27-A28 : U-A O2'/Hh adjacent_5p pairing 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : C C3p_endo anti
+A3 : G C4p_exo anti
+A4 : G C3p_endo anti
+A5 : C C3p_endo anti
+A6 : C C3p_endo anti
+A7 : A C2p_endo anti
+A8 : G C3p_endo anti
+A9 : C C3p_endo anti
+A10 : U C3p_endo anti
+A11 : C C3p_endo anti
+A12 : C C3p_endo anti
+A13 : A C3p_endo anti
+A14 : G C3p_endo anti
+A15 : G C3p_endo anti
+A16 : C C3p_endo anti
+A17 : C C3p_endo anti
+A18 : G C3p_endo anti
+A19 : C C2p_endo anti
+A20 : C C2p_endo anti
+A21 : A C3p_endo anti
+A22 : A C4p_exo anti
+A23 : A O4p_endo anti
+A24 : C C3p_exo anti
+A25 : A C3p_endo anti
+A26 : A C3p_endo anti
+A27 : U C3p_endo anti
+A28 : A C2p_endo anti
+A29 : U C3p_endo anti
+A30 : G C3p_endo anti
+A31 : G C4p_exo anti
+A32 : A C3p_endo anti
+A33 : G C3p_endo anti
+A34 : C C3p_endo anti
+A35 : A C3p_endo anti
+A36 : C C4p_exo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A25-A26 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+A29-A30 : adjacent_5p upward 
+A30-A31 : adjacent_5p upward 
+A31-A32 : adjacent_5p upward 
+A32-A33 : adjacent_5p upward 
+A33-A34 : adjacent_5p upward 
+A35-A36 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A3-A18 : outward 
+A8-A35 : outward 
+Number of stackings = 19
+Number of adjacent stackings = 17
+Number of non adjacent stackings = 2
+Base-pairs ------------------------------------------------------
+A1-A19 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A18 : C-G Ww/Ww pairing antiparallel cis XIX 
+A3-A17 : G-C Ww/Ww pairing antiparallel cis XIX 
+A4-A16 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-A15 : C-G Ww/Ww pairing antiparallel cis XIX 
+A5-A26 : C-A O2'/Bh pairing 
+A6-A14 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-A34 : G-C Ww/Ww pairing antiparallel cis XIX 
+A9-A33 : C-G Ww/Ww pairing antiparallel cis XIX 
+A10-A32 : U-A Ww/Ww pairing antiparallel cis XX 
+A11-A31 : C-G Ww/Ww pairing antiparallel cis XIX 
+A12-A30 : C-G Ww/Ww pairing antiparallel cis XIX 
+A13-A29 : A-U Wh/Bh pairing antiparallel cis one_hbond 
+A16-A26 : C-A Ss/Bs pairing antiparallel cis one_hbond 
+A18-A21 : G-A Sw/Ww pairing antiparallel cis one_hbond 55 
+A21-A22 : A-A O2'/C8 adjacent_5p pairing 
+A22-A23 : A-A O2'/C8 adjacent_5p pairing 
+A27-A28 : U-A O2'/Hh adjacent_5p pairing 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : C C3p_endo anti
+A3 : G C4p_exo anti
+A4 : G C3p_endo anti
+A5 : C C3p_endo anti
+A6 : C C3p_endo anti
+A7 : A C2p_endo anti
+A8 : G C3p_endo anti
+A9 : C C3p_endo anti
+A10 : U C3p_endo anti
+A11 : C C3p_endo anti
+A12 : C C3p_endo anti
+A13 : A C3p_endo anti
+A14 : G C3p_endo anti
+A15 : G C3p_endo anti
+A16 : C C3p_endo anti
+A17 : C C3p_endo anti
+A18 : G C3p_endo anti
+A19 : C C1p_exo anti
+A20 : C C2p_endo anti
+A21 : A C3p_endo anti
+A22 : A O4p_endo anti
+A23 : A O4p_endo anti
+A24 : C C3p_exo anti
+A25 : A C3p_endo anti
+A26 : A C3p_endo anti
+A27 : U C3p_endo anti
+A28 : A C2p_endo anti
+A29 : U C3p_endo anti
+A30 : G C3p_endo anti
+A31 : G C3p_endo anti
+A32 : A C3p_endo anti
+A33 : G C3p_endo anti
+A34 : C C3p_endo anti
+A35 : A C3p_endo anti
+A36 : C C4p_exo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A21-A22 : adjacent_5p upward 
+A25-A26 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+A29-A30 : adjacent_5p upward 
+A30-A31 : adjacent_5p upward 
+A31-A32 : adjacent_5p upward 
+A32-A33 : adjacent_5p upward 
+A33-A34 : adjacent_5p upward 
+A35-A36 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A3-A18 : outward 
+A8-A35 : outward 
+Number of stackings = 21
+Number of adjacent stackings = 19
+Number of non adjacent stackings = 2
+Base-pairs ------------------------------------------------------
+A1-A19 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A18 : C-G Ww/Ww pairing antiparallel cis XIX 
+A3-A17 : G-C Ww/Ww pairing antiparallel cis XIX 
+A4-A16 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-A15 : C-G Ww/Ww pairing antiparallel cis XIX 
+A6-A14 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-A34 : G-C Ww/Ww pairing antiparallel cis XIX 
+A9-A33 : C-G Ww/Ww pairing antiparallel cis XIX 
+A10-A32 : U-A Ww/Ww pairing antiparallel cis XX 
+A11-A31 : C-G Ww/Ww pairing antiparallel cis XIX 
+A12-A30 : C-G Ww/Ww pairing antiparallel cis XIX 
+A13-A29 : A-U Wh/Bh pairing antiparallel cis one_hbond 48 
+A15-A27 : G-U Sw/Ws pairing antiparallel cis one_hbond 85 
+A16-A26 : C-A Ss/Bs pairing antiparallel cis one_hbond 
+A18-A22 : G-A O2'/Ww pairing 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : C C3p_endo anti
+A3 : G C3p_endo anti
+A4 : G C3p_endo anti
+A5 : C C3p_endo anti
+A6 : C C3p_endo anti
+A7 : A C2p_endo anti
+A8 : G C3p_endo anti
+A9 : C C3p_endo anti
+A10 : U C3p_endo anti
+A11 : C C3p_endo anti
+A12 : C C3p_endo anti
+A13 : A C3p_endo anti
+A14 : G C3p_endo anti
+A15 : G C4p_exo anti
+A16 : C C3p_endo anti
+A17 : C C3p_endo anti
+A18 : G C3p_endo anti
+A19 : C C1p_exo anti
+A20 : C C2p_endo anti
+A21 : A C3p_endo anti
+A22 : A O4p_endo anti
+A23 : A O4p_endo anti
+A24 : C C3p_exo anti
+A25 : A C3p_endo anti
+A26 : A C3p_endo anti
+A27 : U C3p_endo anti
+A28 : A C2p_endo anti
+A29 : U C3p_endo anti
+A30 : G C3p_endo anti
+A31 : G C4p_exo anti
+A32 : A C3p_endo anti
+A33 : G C3p_endo anti
+A34 : C C3p_endo anti
+A35 : A C3p_endo anti
+A36 : C C4p_exo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A21-A22 : adjacent_5p upward 
+A22-A23 : adjacent_5p upward 
+A25-A26 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+A29-A30 : adjacent_5p upward 
+A30-A31 : adjacent_5p upward 
+A31-A32 : adjacent_5p upward 
+A32-A33 : adjacent_5p upward 
+A33-A34 : adjacent_5p upward 
+A34-A35 : adjacent_5p upward 
+A35-A36 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A3-A18 : outward 
+A8-A35 : outward 
+A23-A25 : upward pairing 
+Number of stackings = 22
+Number of adjacent stackings = 19
+Number of non adjacent stackings = 3
+Base-pairs ------------------------------------------------------
+A1-A19 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A18 : C-G Ww/Ww pairing antiparallel cis XIX 
+A3-A17 : G-C Ww/Ww pairing antiparallel cis XIX 
+A4-A16 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-A15 : C-G Ww/Ww pairing antiparallel cis XIX 
+A6-A14 : C-G Ww/Ww pairing antiparallel cis XIX 
+A7-A30 : A-G Ww/O2P pairing 
+A8-A34 : G-C Ww/Ww pairing antiparallel cis XIX 
+A9-A33 : C-G Ww/Ww pairing antiparallel cis XIX 
+A10-A32 : U-A Ww/Ww pairing antiparallel cis XX 
+A11-A31 : C-G Ww/Ww pairing antiparallel cis XIX 
+A12-A30 : C-G Ww/Ww pairing antiparallel cis XIX 
+A13-A29 : A-U Wh/Bh pairing antiparallel cis one_hbond 
+A14-A28 : G-A O2'/Ww pairing 
+A18-A21 : G-A Sw/Ww pairing antiparallel cis one_hbond 55 
+A18-A22 : G-A Ss/Wh O2'/Ww pairing antiparallel cis one_hbond 63 
+A23-A25 : A-A O2'/Hh upward pairing 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : C C3p_endo anti
+A3 : G C4p_exo anti
+A4 : G C3p_endo anti
+A5 : C C3p_endo anti
+A6 : C C3p_endo anti
+A7 : A C2p_endo anti
+A8 : G C3p_endo anti
+A9 : C C3p_endo anti
+A10 : U C3p_endo anti
+A11 : C C3p_endo anti
+A12 : C C3p_endo anti
+A13 : A C3p_endo anti
+A14 : G C3p_endo anti
+A15 : G C3p_endo anti
+A16 : C C3p_endo anti
+A17 : C C3p_endo anti
+A18 : G C3p_endo anti
+A19 : C C1p_exo anti
+A20 : C C2p_endo anti
+A21 : A C3p_endo anti
+A22 : A C4p_exo anti
+A23 : A O4p_endo anti
+A24 : C C3p_exo anti
+A25 : A C3p_endo anti
+A26 : A C3p_endo anti
+A27 : U C3p_endo anti
+A28 : A C2p_endo anti
+A29 : U C3p_endo anti
+A30 : G C3p_endo anti
+A31 : G C3p_endo anti
+A32 : A C3p_endo anti
+A33 : G C3p_endo anti
+A34 : C C3p_endo anti
+A35 : A C3p_endo anti
+A36 : C C4p_exo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A25-A26 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+A29-A30 : adjacent_5p upward 
+A30-A31 : adjacent_5p upward 
+A31-A32 : adjacent_5p upward 
+A32-A33 : adjacent_5p upward 
+A33-A34 : adjacent_5p upward 
+A35-A36 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A3-A18 : outward 
+A8-A35 : outward 
+Number of stackings = 18
+Number of adjacent stackings = 16
+Number of non adjacent stackings = 2
+Base-pairs ------------------------------------------------------
+A1-A19 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A18 : C-G Ww/Ww pairing antiparallel cis XIX 
+A3-A17 : G-C Ww/Ww pairing antiparallel cis XIX 
+A4-A16 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-A15 : C-G Ww/Ww pairing antiparallel cis XIX 
+A6-A14 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-A34 : G-C Ww/Ww pairing antiparallel cis XIX 
+A9-A33 : C-G Ww/Ww pairing antiparallel cis XIX 
+A10-A32 : U-A Ww/Ww pairing antiparallel cis XX 
+A11-A31 : C-G Ww/Ww pairing antiparallel cis XIX 
+A12-A30 : C-G Ww/Ww pairing antiparallel cis XIX 
+A13-A29 : A-U Wh/Bh pairing antiparallel cis one_hbond 48 
+A14-A28 : G-A O2'/Ww pairing 
+A16-A26 : C-A Ss/Bs pairing antiparallel cis one_hbond 
+A21-A22 : A-A O2'/C8 adjacent_5p pairing 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : C C3p_endo anti
+A3 : G C3p_endo anti
+A4 : G C3p_endo anti
+A5 : C C3p_endo anti
+A6 : C C3p_endo anti
+A7 : A C2p_endo anti
+A8 : G C3p_endo anti
+A9 : C C3p_endo anti
+A10 : U C3p_endo anti
+A11 : C C3p_endo anti
+A12 : C C3p_endo anti
+A13 : A C3p_endo anti
+A14 : G C3p_endo anti
+A15 : G C3p_endo anti
+A16 : C C3p_endo anti
+A17 : C C3p_endo anti
+A18 : G C3p_endo anti
+A19 : C C2p_endo anti
+A20 : C C2p_endo anti
+A21 : A C3p_endo anti
+A22 : A C4p_exo anti
+A23 : A O4p_endo anti
+A24 : C C3p_exo anti
+A25 : A C3p_endo anti
+A26 : A C3p_endo anti
+A27 : U C3p_endo anti
+A28 : A C2p_endo anti
+A29 : U C3p_endo anti
+A30 : G C3p_endo anti
+A31 : G C4p_exo anti
+A32 : A C3p_endo anti
+A33 : G C3p_endo anti
+A34 : C C4p_exo anti
+A35 : A C2p_exo anti
+A36 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A25-A26 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+A29-A30 : adjacent_5p upward 
+A30-A31 : adjacent_5p upward 
+A31-A32 : adjacent_5p upward 
+A32-A33 : adjacent_5p upward 
+A33-A34 : adjacent_5p upward 
+A35-A36 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A3-A18 : outward 
+A8-A35 : outward 
+A23-A25 : upward pairing 
+Number of stackings = 21
+Number of adjacent stackings = 18
+Number of non adjacent stackings = 3
+Base-pairs ------------------------------------------------------
+A1-A19 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A18 : C-G Ww/Ww pairing antiparallel cis XIX 
+A3-A17 : G-C Ww/Ww pairing antiparallel cis XIX 
+A4-A16 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-A15 : C-G Ww/Ww pairing antiparallel cis XIX 
+A6-A14 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-A34 : G-C Ww/Ww pairing antiparallel cis XIX 
+A9-A33 : C-G Ww/Ww pairing antiparallel cis XIX 
+A10-A32 : U-A Ww/Ww pairing antiparallel cis XX 
+A11-A31 : C-G Ww/Ww pairing antiparallel cis XIX 
+A12-A30 : C-G Ww/Ww pairing antiparallel cis XIX 
+A13-A29 : A-U Wh/Bh pairing antiparallel cis one_hbond 48 
+A14-A28 : G-A O2'/Ww O2'/Bh pairing 
+A15-A27 : G-U Sw/Ws pairing antiparallel cis one_hbond 85 
+A18-A21 : G-A Sw/Ww pairing antiparallel cis one_hbond 55 
+A21-A22 : A-A O2'/C8 adjacent_5p pairing 
+A22-A23 : A-A O2'/C8 adjacent_5p pairing 
+A23-A25 : A-A O2'/Hh upward pairing 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : C C3p_endo anti
+A3 : G C3p_endo anti
+A4 : G C3p_endo anti
+A5 : C C3p_endo anti
+A6 : C C3p_endo anti
+A7 : A C2p_endo anti
+A8 : G C3p_endo anti
+A9 : C C3p_endo anti
+A10 : U C3p_endo anti
+A11 : C C3p_endo anti
+A12 : C C3p_endo anti
+A13 : A C3p_endo anti
+A14 : G C3p_endo anti
+A15 : G C3p_endo anti
+A16 : C C3p_endo anti
+A17 : C C3p_endo anti
+A18 : G C3p_endo anti
+A19 : C C2p_endo anti
+A20 : C C2p_endo anti
+A21 : A C3p_endo anti
+A22 : A C4p_exo anti
+A23 : A C1p_exo anti
+A24 : C C3p_exo anti
+A25 : A C3p_endo anti
+A26 : A C3p_endo anti
+A27 : U C3p_endo anti
+A28 : A C2p_endo anti
+A29 : U C3p_endo anti
+A30 : G C3p_endo anti
+A31 : G C4p_exo anti
+A32 : A C3p_endo anti
+A33 : G C3p_endo anti
+A34 : C C3p_endo anti
+A35 : A C3p_endo anti
+A36 : C C4p_exo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A21-A22 : adjacent_5p upward pairing 
+A22-A23 : adjacent_5p upward pairing 
+A25-A26 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+A29-A30 : adjacent_5p upward 
+A30-A31 : adjacent_5p upward 
+A31-A32 : adjacent_5p upward 
+A32-A33 : adjacent_5p upward 
+A33-A34 : adjacent_5p upward 
+A35-A36 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A3-A18 : outward 
+A8-A35 : outward 
+A23-A25 : upward pairing 
+Number of stackings = 22
+Number of adjacent stackings = 19
+Number of non adjacent stackings = 3
+Base-pairs ------------------------------------------------------
+A1-A19 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A18 : C-G Ww/Ww pairing antiparallel cis XIX 
+A3-A17 : G-C Ww/Ww pairing antiparallel cis XIX 
+A4-A16 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-A15 : C-G Ww/Ww pairing antiparallel cis XIX 
+A6-A14 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-A34 : G-C Ww/Ww pairing antiparallel cis XIX 
+A9-A33 : C-G Ww/Ww pairing antiparallel cis XIX 
+A10-A32 : U-A Ww/Ww pairing antiparallel cis XX 
+A11-A31 : C-G Ww/Ww pairing antiparallel cis XIX 
+A12-A30 : C-G Ww/Ww pairing antiparallel cis XIX 
+A13-A29 : A-U Ww/Wh pairing antiparallel cis one_hbond 
+A14-A28 : G-A O2'/Ww pairing 
+A18-A21 : G-A Sw/Ww pairing antiparallel cis one_hbond 55 
+A21-A22 : A-A O2'/C8 adjacent_5p upward pairing 
+A22-A23 : A-A O2'/C8 adjacent_5p upward pairing 
+A23-A25 : A-A O2'/Hh upward pairing 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : C C3p_endo anti
+A3 : G C4p_exo anti
+A4 : G C3p_endo anti
+A5 : C C3p_endo anti
+A6 : C C3p_endo anti
+A7 : A C2p_endo anti
+A8 : G C3p_endo anti
+A9 : C C3p_endo anti
+A10 : U C3p_endo anti
+A11 : C C3p_endo anti
+A12 : C C3p_endo anti
+A13 : A C3p_endo anti
+A14 : G C3p_endo anti
+A15 : G C3p_endo anti
+A16 : C C3p_endo anti
+A17 : C C3p_endo anti
+A18 : G C3p_endo anti
+A19 : C C2p_endo anti
+A20 : C C2p_endo anti
+A21 : A C3p_endo anti
+A22 : A C4p_exo anti
+A23 : A C3p_endo anti
+A24 : C C3p_exo syn
+A25 : A C3p_endo anti
+A26 : A C2p_exo anti
+A27 : U C3p_endo anti
+A28 : A C2p_endo anti
+A29 : U C3p_endo anti
+A30 : G C3p_endo anti
+A31 : G C3p_endo anti
+A32 : A C3p_endo anti
+A33 : G C3p_endo anti
+A34 : C C3p_endo anti
+A35 : A C3p_endo anti
+A36 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A25-A26 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+A29-A30 : adjacent_5p upward 
+A30-A31 : adjacent_5p upward 
+A31-A32 : adjacent_5p upward 
+A32-A33 : adjacent_5p upward 
+A33-A34 : adjacent_5p upward 
+A35-A36 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A3-A18 : outward 
+A8-A35 : outward 
+A23-A25 : upward 
+Number of stackings = 19
+Number of adjacent stackings = 16
+Number of non adjacent stackings = 3
+Base-pairs ------------------------------------------------------
+A1-A19 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A18 : C-G Ww/Ww pairing antiparallel cis XIX 
+A3-A17 : G-C Ww/Ww pairing antiparallel cis XIX 
+A4-A16 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-A15 : C-G Ww/Ww pairing antiparallel cis XIX 
+A6-A14 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-A34 : G-C Ww/Ww pairing antiparallel cis XIX 
+A9-A33 : C-G Ww/Ww pairing antiparallel cis XIX 
+A10-A32 : U-A Ww/Ww pairing antiparallel cis XX 
+A11-A31 : C-G Ww/Ww pairing antiparallel cis XIX 
+A12-A30 : C-G Ww/Ww pairing antiparallel cis XIX 
+A13-A29 : A-U Wh/Hw pairing antiparallel cis one_hbond 48 
+A15-A27 : G-U Sw/Ws pairing antiparallel cis one_hbond 85 
+A16-A26 : C-A Ss/Bs pairing antiparallel cis one_hbond 
+A21-A22 : A-A O2'/C8 adjacent_5p pairing 
+A22-A23 : A-A O2'/C8 adjacent_5p pairing 
+A23-A24 : A-C O2P/Bh adjacent_5p pairing 
+A27-A28 : U-A O2'/Hh adjacent_5p pairing 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : C C3p_endo anti
+A3 : G C4p_exo anti
+A4 : G C3p_endo anti
+A5 : C C3p_endo anti
+A6 : C C3p_endo anti
+A7 : A C2p_endo anti
+A8 : G C3p_endo anti
+A9 : C C3p_endo anti
+A10 : U C3p_endo anti
+A11 : C C3p_endo anti
+A12 : C C3p_endo anti
+A13 : A C3p_endo anti
+A14 : G C3p_endo anti
+A15 : G C3p_endo anti
+A16 : C C3p_endo anti
+A17 : C C3p_endo anti
+A18 : G C3p_endo anti
+A19 : C C1p_exo anti
+A20 : C C2p_endo anti
+A21 : A C3p_endo anti
+A22 : A C4p_exo anti
+A23 : A C3p_endo anti
+A24 : C C3p_exo syn
+A25 : A C2p_exo anti
+A26 : A C2p_exo anti
+A27 : U C3p_endo anti
+A28 : A C2p_endo anti
+A29 : U C3p_endo anti
+A30 : G C3p_endo anti
+A31 : G C4p_exo anti
+A32 : A C3p_endo anti
+A33 : G C3p_endo anti
+A34 : C C4p_exo anti
+A35 : A C3p_endo anti
+A36 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A21-A22 : adjacent_5p upward 
+A22-A23 : adjacent_5p upward pairing 
+A25-A26 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+A29-A30 : adjacent_5p upward 
+A30-A31 : adjacent_5p upward 
+A31-A32 : adjacent_5p upward 
+A32-A33 : adjacent_5p upward 
+A33-A34 : adjacent_5p upward 
+A35-A36 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A3-A18 : outward 
+A8-A35 : outward 
+A23-A25 : upward 
+Number of stackings = 21
+Number of adjacent stackings = 18
+Number of non adjacent stackings = 3
+Base-pairs ------------------------------------------------------
+A1-A19 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A18 : C-G Ww/Ww pairing antiparallel cis XIX 
+A3-A17 : G-C Ww/Ww pairing antiparallel cis XIX 
+A4-A16 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-A15 : C-G Ww/Ww pairing antiparallel cis XIX 
+A5-A26 : C-A O2'/Bh pairing 
+A6-A14 : C-G Ww/Ww pairing antiparallel cis XIX 
+A7-A30 : A-G Ww/O2P pairing 
+A8-A34 : G-C Ww/Ww pairing antiparallel cis XIX 
+A9-A33 : C-G Ww/Ww pairing antiparallel cis XIX 
+A10-A32 : U-A Ww/Ww pairing antiparallel cis XX 
+A11-A31 : C-G Ww/Ww pairing antiparallel cis XIX 
+A12-A30 : C-G Ww/Ww pairing antiparallel cis XIX 
+A13-A29 : A-U Wh/Bh pairing antiparallel cis one_hbond 
+A14-A28 : G-A O2'/Ww pairing 
+A15-A27 : G-U Sw/Ws pairing antiparallel cis one_hbond 85 
+A16-A26 : C-A Ss/Bs pairing antiparallel cis one_hbond 
+A18-A21 : G-A Sw/Ww pairing antiparallel cis one_hbond 55 
+A18-A22 : G-A Ss/Wh O2'/Ww pairing antiparallel cis one_hbond 63 
+A22-A23 : A-A O2'/C8 adjacent_5p upward pairing 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : C C3p_endo anti
+A3 : G C4p_exo anti
+A4 : G C3p_endo anti
+A5 : C C3p_endo anti
+A6 : C C3p_endo anti
+A7 : A C2p_endo anti
+A8 : G C3p_endo anti
+A9 : C C3p_endo anti
+A10 : U C3p_endo anti
+A11 : C C3p_endo anti
+A12 : C C3p_endo anti
+A13 : A C3p_endo anti
+A14 : G C3p_endo anti
+A15 : G C3p_endo anti
+A16 : C C3p_endo anti
+A17 : C C3p_endo anti
+A18 : G C3p_endo anti
+A19 : C C1p_exo anti
+A20 : C C2p_endo anti
+A21 : A C3p_endo anti
+A22 : A O4p_endo anti
+A23 : A C3p_endo anti
+A24 : C C3p_exo syn
+A25 : A C3p_endo anti
+A26 : A C2p_exo anti
+A27 : U C3p_endo anti
+A28 : A C2p_endo anti
+A29 : U C3p_endo anti
+A30 : G C3p_endo anti
+A31 : G C4p_exo anti
+A32 : A C3p_endo anti
+A33 : G C3p_endo anti
+A34 : C C3p_endo anti
+A35 : A C3p_endo anti
+A36 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A21-A22 : adjacent_5p upward 
+A22-A23 : adjacent_5p upward pairing 
+A25-A26 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+A29-A30 : adjacent_5p upward 
+A30-A31 : adjacent_5p upward 
+A31-A32 : adjacent_5p upward 
+A32-A33 : adjacent_5p upward 
+A33-A34 : adjacent_5p upward 
+A35-A36 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A3-A18 : outward 
+A8-A35 : outward 
+A23-A25 : upward 
+Number of stackings = 21
+Number of adjacent stackings = 18
+Number of non adjacent stackings = 3
+Base-pairs ------------------------------------------------------
+A1-A19 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A18 : C-G Ww/Ww pairing antiparallel cis XIX 
+A3-A17 : G-C Ww/Ww pairing antiparallel cis XIX 
+A4-A16 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-A15 : C-G Ww/Ww pairing antiparallel cis XIX 
+A6-A14 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-A34 : G-C Ww/Ww pairing antiparallel cis XIX 
+A9-A33 : C-G Ww/Ww pairing antiparallel cis XIX 
+A10-A32 : U-A Ww/Ww pairing antiparallel cis XX 
+A11-A31 : C-G Ww/Ww pairing antiparallel cis XIX 
+A12-A30 : C-G Ww/Ww pairing antiparallel cis XIX 
+A13-A29 : A-U Wh/Bh pairing antiparallel cis one_hbond 
+A14-A28 : G-A O2'/Ww pairing 
+A15-A27 : G-U Sw/Ws pairing antiparallel cis one_hbond 85 
+A16-A26 : C-A Ss/Bs pairing antiparallel cis one_hbond 
+A22-A23 : A-A O2'/C8 adjacent_5p upward pairing 
+A23-A24 : A-C O2P/Bh adjacent_5p pairing 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : C C3p_endo anti
+A3 : G C3p_endo anti
+A4 : G C3p_endo anti
+A5 : C C3p_endo anti
+A6 : C C3p_endo anti
+A7 : A C2p_endo anti
+A8 : G C3p_endo anti
+A9 : C C3p_endo anti
+A10 : U C3p_endo anti
+A11 : C C3p_endo anti
+A12 : C C3p_endo anti
+A13 : A C3p_endo anti
+A14 : G C3p_endo anti
+A15 : G C3p_endo anti
+A16 : C C3p_endo anti
+A17 : C C3p_endo anti
+A18 : G C3p_endo anti
+A19 : C C2p_endo anti
+A20 : C C2p_endo anti
+A21 : A C3p_endo anti
+A22 : A C3p_endo anti
+A23 : A O4p_endo anti
+A24 : C C3p_exo anti
+A25 : A C3p_endo anti
+A26 : A C3p_endo anti
+A27 : U C3p_endo anti
+A28 : A C2p_endo anti
+A29 : U C3p_endo anti
+A30 : G C3p_endo anti
+A31 : G C4p_exo anti
+A32 : A C3p_endo anti
+A33 : G C3p_endo anti
+A34 : C C3p_endo anti
+A35 : A C3p_endo anti
+A36 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A21-A22 : adjacent_5p upward pairing 
+A25-A26 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+A29-A30 : adjacent_5p upward 
+A30-A31 : adjacent_5p upward 
+A31-A32 : adjacent_5p upward 
+A32-A33 : adjacent_5p upward 
+A33-A34 : adjacent_5p upward 
+A35-A36 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A3-A18 : outward 
+A8-A35 : outward 
+Number of stackings = 19
+Number of adjacent stackings = 17
+Number of non adjacent stackings = 2
+Base-pairs ------------------------------------------------------
+A1-A19 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A18 : C-G Ww/Ww pairing antiparallel cis XIX 
+A3-A17 : G-C Ww/Ww pairing antiparallel cis XIX 
+A4-A16 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-A15 : C-G Ww/Ww pairing antiparallel cis XIX 
+A6-A14 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-A34 : G-C Ww/Ww pairing antiparallel cis XIX 
+A9-A33 : C-G Ww/Ww pairing antiparallel cis XIX 
+A10-A32 : U-A Ww/Ww pairing antiparallel cis XX 
+A11-A31 : C-G Ww/Ww pairing antiparallel cis XIX 
+A12-A30 : C-G Ww/Ww pairing antiparallel cis XIX 
+A13-A29 : A-U Wh/Bh pairing antiparallel cis one_hbond 48 
+A18-A21 : G-A Sw/Ww pairing antiparallel cis one_hbond 55 
+A21-A22 : A-A O2'/C8 adjacent_5p upward pairing 
+A22-A23 : A-A O2'/C8 adjacent_5p pairing 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : C C3p_endo anti
+A3 : G C4p_exo anti
+A4 : G C3p_endo anti
+A5 : C C3p_endo anti
+A6 : C C3p_endo anti
+A7 : A C2p_endo anti
+A8 : G C3p_endo anti
+A9 : C C3p_endo anti
+A10 : U C3p_endo anti
+A11 : C C3p_endo anti
+A12 : C C3p_endo anti
+A13 : A C3p_endo anti
+A14 : G C3p_endo anti
+A15 : G C3p_endo anti
+A16 : C C3p_endo anti
+A17 : C C3p_endo anti
+A18 : G C3p_endo anti
+A19 : C C2p_endo anti
+A20 : C C2p_endo anti
+A21 : A C3p_endo anti
+A22 : A C4p_exo anti
+A23 : A C3p_endo anti
+A24 : C C2p_endo syn
+A25 : A C3p_endo anti
+A26 : A C2p_exo anti
+A27 : U C3p_endo anti
+A28 : A C2p_endo anti
+A29 : U C3p_endo anti
+A30 : G C3p_endo anti
+A31 : G C4p_exo anti
+A32 : A C3p_endo anti
+A33 : G C3p_endo anti
+A34 : C C3p_endo anti
+A35 : A C3p_endo anti
+A36 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A21-A22 : adjacent_5p upward pairing 
+A26-A27 : adjacent_5p upward 
+A29-A30 : adjacent_5p upward 
+A30-A31 : adjacent_5p upward 
+A31-A32 : adjacent_5p upward 
+A32-A33 : adjacent_5p upward 
+A33-A34 : adjacent_5p upward 
+A35-A36 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A3-A18 : outward 
+A8-A35 : outward 
+A23-A25 : upward 
+Number of stackings = 20
+Number of adjacent stackings = 17
+Number of non adjacent stackings = 3
+Base-pairs ------------------------------------------------------
+A1-A19 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A18 : C-G Ww/Ww pairing antiparallel cis XIX 
+A3-A17 : G-C Ww/Ww pairing antiparallel cis XIX 
+A4-A16 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-A15 : C-G Ww/Ww pairing antiparallel cis XIX 
+A6-A14 : C-G Ww/Ww pairing antiparallel cis XIX 
+A7-A31 : A-G Wh/Bh pairing parallel cis one_hbond 66 
+A8-A34 : G-C Ww/Ww pairing antiparallel cis XIX 
+A9-A33 : C-G Ww/Ww pairing antiparallel cis XIX 
+A10-A32 : U-A Ww/Ww pairing antiparallel cis XX 
+A11-A31 : C-G Ww/Ww pairing antiparallel cis XIX 
+A12-A30 : C-G Ww/Ww pairing antiparallel cis XIX 
+A13-A29 : A-U Wh/Bh pairing antiparallel cis one_hbond 48 
+A14-A28 : G-A O2'/Ww pairing 
+A15-A27 : G-U Sw/Ws pairing antiparallel cis one_hbond 85 
+A16-A26 : C-A Ss/Bs pairing antiparallel cis one_hbond 
+A18-A21 : G-A Sw/Ww pairing antiparallel cis one_hbond 55 
+A21-A22 : A-A O2'/C8 adjacent_5p upward pairing 
+A27-A28 : U-A O2'/Hh adjacent_5p pairing 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : C C3p_endo anti
+A3 : G C3p_endo anti
+A4 : G C3p_endo anti
+A5 : C C3p_endo anti
+A6 : C C3p_endo anti
+A7 : A C2p_endo anti
+A8 : G C3p_endo anti
+A9 : C C3p_endo anti
+A10 : U C3p_endo anti
+A11 : C C3p_endo anti
+A12 : C C3p_endo anti
+A13 : A C3p_endo anti
+A14 : G C3p_endo anti
+A15 : G C4p_exo anti
+A16 : C C3p_endo anti
+A17 : C C3p_endo anti
+A18 : G C3p_endo anti
+A19 : C C1p_exo anti
+A20 : C C2p_endo anti
+A21 : A C3p_endo anti
+A22 : A C4p_exo anti
+A23 : A O4p_endo anti
+A24 : C C3p_exo anti
+A25 : A C3p_endo anti
+A26 : A C3p_endo anti
+A27 : U C3p_endo anti
+A28 : A C2p_endo anti
+A29 : U C3p_endo anti
+A30 : G C3p_endo anti
+A31 : G C4p_exo anti
+A32 : A C3p_endo anti
+A33 : G C3p_endo anti
+A34 : C C3p_endo anti
+A35 : A C3p_endo anti
+A36 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A21-A22 : adjacent_5p upward pairing 
+A25-A26 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+A29-A30 : adjacent_5p upward 
+A30-A31 : adjacent_5p upward 
+A31-A32 : adjacent_5p upward 
+A32-A33 : adjacent_5p upward 
+A33-A34 : adjacent_5p upward 
+A35-A36 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A3-A18 : outward 
+A8-A35 : outward 
+Number of stackings = 23
+Number of adjacent stackings = 21
+Number of non adjacent stackings = 2
+Base-pairs ------------------------------------------------------
+A1-A19 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A18 : C-G Ww/Ww pairing antiparallel cis XIX 
+A3-A17 : G-C Ww/Ww pairing antiparallel cis XIX 
+A4-A16 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-A15 : C-G Ww/Ww pairing antiparallel cis XIX 
+A6-A14 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-A34 : G-C Ww/Ww pairing antiparallel cis XIX 
+A9-A33 : C-G Ww/Ww pairing antiparallel cis XIX 
+A10-A32 : U-A Ww/Ww pairing antiparallel cis XX 
+A11-A31 : C-G Ww/Ww pairing antiparallel cis XIX 
+A12-A30 : C-G Ww/Ww pairing antiparallel cis XIX 
+A13-A29 : A-U Wh/Bh pairing antiparallel cis one_hbond 48 
+A14-A28 : G-A O2'/Ww pairing 
+A18-A21 : G-A Sw/Ww pairing antiparallel cis one_hbond 55 
+A21-A22 : A-A O2'/C8 adjacent_5p upward pairing 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : C C3p_endo anti
+A3 : G C3p_endo anti
+A4 : G C3p_endo anti
+A5 : C C3p_endo anti
+A6 : C C3p_endo anti
+A7 : A C2p_endo anti
+A8 : G C3p_endo anti
+A9 : C C3p_endo anti
+A10 : U C3p_endo anti
+A11 : C C3p_endo anti
+A12 : C C3p_endo anti
+A13 : A C3p_endo anti
+A14 : G C3p_endo anti
+A15 : G C4p_exo anti
+A16 : C C3p_endo anti
+A17 : C C3p_endo anti
+A18 : G C3p_endo anti
+A19 : C C1p_exo anti
+A20 : C C2p_endo anti
+A21 : A C3p_endo anti
+A22 : A O4p_endo anti
+A23 : A O4p_endo anti
+A24 : C C3p_exo anti
+A25 : A C3p_endo anti
+A26 : A C3p_endo anti
+A27 : U C3p_endo anti
+A28 : A C2p_endo anti
+A29 : U C3p_endo anti
+A30 : G C3p_endo anti
+A31 : G C4p_exo anti
+A32 : A C3p_endo anti
+A33 : G C3p_endo anti
+A34 : C C4p_exo anti
+A35 : A C3p_endo anti
+A36 : C C4p_exo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A21-A22 : adjacent_5p upward 
+A22-A23 : adjacent_5p upward 
+A25-A26 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+A29-A30 : adjacent_5p upward 
+A30-A31 : adjacent_5p upward 
+A31-A32 : adjacent_5p upward 
+A32-A33 : adjacent_5p upward 
+A33-A34 : adjacent_5p upward 
+A35-A36 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A3-A18 : outward 
+A8-A35 : outward 
+Number of stackings = 22
+Number of adjacent stackings = 20
+Number of non adjacent stackings = 2
+Base-pairs ------------------------------------------------------
+A1-A19 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A18 : C-G Ww/Ww pairing antiparallel cis XIX 
+A3-A17 : G-C Ww/Ww pairing antiparallel cis XIX 
+A4-A16 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-A15 : C-G Ww/Ww pairing antiparallel cis XIX 
+A6-A14 : C-G Ww/Ww pairing antiparallel cis XIX 
+A7-A30 : A-G Ww/O2P pairing 
+A8-A34 : G-C Ww/Ww pairing antiparallel cis XIX 
+A9-A33 : C-G Ww/Ww pairing antiparallel cis XIX 
+A10-A32 : U-A Ww/Ww pairing antiparallel cis XX 
+A11-A31 : C-G Ww/Ww pairing antiparallel cis XIX 
+A12-A30 : C-G Ww/Ww pairing antiparallel cis XIX 
+A13-A29 : A-U Wh/Bh pairing antiparallel cis one_hbond 
+A14-A28 : G-A O2'/Ww pairing 
+A18-A22 : G-A O2'/Ww pairing 
+A23-A25 : A-A O2'/Hh pairing 
diff --git a/MCdata/1ebq_MC b/MCdata/1ebq_MC
new file mode 100644
index 0000000000000000000000000000000000000000..531275f58a5bddf994e9fd870b74022e8ab8746e
--- /dev/null
+++ b/MCdata/1ebq_MC
@@ -0,0 +1,376 @@
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : U C3p_endo anti
+A4 : G C3p_endo anti
+A5 : G C3p_endo anti
+A6 : G C3p_endo anti
+A7 : C C3p_endo anti
+A8 : G C3p_endo anti
+A9 : C C3p_endo anti
+A10 : A C3p_endo anti
+A11 : G C3p_endo anti
+A12 : C C3p_endo anti
+A13 : U C2p_exo anti
+A14 : U C2p_endo anti
+A15 : C C2p_endo anti
+A16 : G C3p_endo syn
+A17 : G C3p_endo anti
+A18 : C C3p_endo anti
+A19 : U C3p_endo anti
+A20 : G C3p_endo anti
+A21 : C C3p_endo anti
+A22 : G C3p_endo anti
+A23 : G C2p_endo anti
+A24 : U C3p_exo anti
+A25 : A C2p_exo anti
+A26 : C C3p_endo anti
+A27 : A C3p_endo anti
+A28 : C C3p_endo anti
+A29 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A15-A16 : adjacent_5p inward pairing 
+A16-A17 : adjacent_5p outward 
+A17-A18 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+A21-A22 : adjacent_5p upward 
+A25-A26 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+A27-A28 : adjacent_5p upward 
+A28-A29 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-A27 : outward 
+A10-A20 : outward 
+A23-A25 : outward pairing 
+Number of stackings = 23
+Number of adjacent stackings = 20
+Number of non adjacent stackings = 3
+Base-pairs ------------------------------------------------------
+A1-A29 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A28 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A27 : U-A Ww/Ww pairing antiparallel cis XX 
+A4-A26 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-A25 : G-A Ww/Ww pairing antiparallel cis VIII 
+A6-A23 : G-G Ww/Ww pairing parallel trans III 
+A7-A22 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-A21 : G-C Ww/Ww pairing antiparallel cis XIX 
+A9-A20 : C-G Ww/Ww pairing antiparallel cis XIX 
+A10-A19 : A-U Ww/Ww pairing antiparallel cis XX 
+A11-A18 : G-C Ww/Ww pairing antiparallel cis XIX 
+A12-A17 : C-G Ww/Ww pairing antiparallel cis XIX 
+A13-A14 : U-U O2P/Ww adjacent_5p pairing 
+A13-A15 : U-C O2'/Bh pairing 
+A13-A16 : U-G Bs/Ww pairing parallel trans one_hbond 
+A15-A16 : C-G O2'/Bs O2'/Ss O2P/Bs adjacent_5p inward pairing 
+A23-A25 : G-A O2'/Hh outward pairing 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : U C3p_endo anti
+A4 : G C3p_endo anti
+A5 : G C2p_endo anti
+A6 : G O4p_endo anti
+A7 : C C3p_endo anti
+A8 : G C3p_endo anti
+A9 : C C3p_endo anti
+A10 : A C3p_endo anti
+A11 : G C3p_endo anti
+A12 : C C3p_endo anti
+A13 : U C2p_exo anti
+A14 : U C2p_endo anti
+A15 : C C3p_exo anti
+A16 : G C3p_endo syn
+A17 : G C2p_exo anti
+A18 : C C3p_endo anti
+A19 : U C3p_endo anti
+A20 : G C3p_endo anti
+A21 : C C3p_endo anti
+A22 : G C3p_endo anti
+A23 : G C2p_endo syn
+A24 : U C3p_exo anti
+A25 : A C2p_exo anti
+A26 : C C3p_endo anti
+A27 : A C3p_endo anti
+A28 : C C3p_endo anti
+A29 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A15-A16 : adjacent_5p inward 
+A16-A17 : adjacent_5p outward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+A21-A22 : adjacent_5p upward 
+A25-A26 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+A27-A28 : adjacent_5p upward 
+A28-A29 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-A27 : outward 
+A10-A20 : outward 
+A23-A25 : outward pairing 
+Number of stackings = 25
+Number of adjacent stackings = 22
+Number of non adjacent stackings = 3
+Base-pairs ------------------------------------------------------
+A1-A29 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A28 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A27 : U-A Ww/Ww pairing antiparallel cis XX 
+A4-A26 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-A25 : G-A Ww/Ww pairing antiparallel cis VIII 
+A6-A23 : G-G Ww/Ww pairing parallel trans III 
+A7-A22 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-A21 : G-C Ww/Ww pairing antiparallel cis XIX 
+A9-A20 : C-G Ww/Ww pairing antiparallel cis XIX 
+A10-A19 : A-U Ww/Ww pairing antiparallel cis XX 
+A11-A18 : G-C Ww/Ww pairing antiparallel cis XIX 
+A12-A17 : C-G Ww/Ww pairing antiparallel cis XIX 
+A13-A14 : U-U O2P/Ww adjacent_5p pairing 
+A13-A16 : U-G Bs/Ww pairing parallel trans one_hbond 
+A23-A25 : G-A O2'/Hh outward pairing 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : U C3p_endo anti
+A4 : G C3p_endo anti
+A5 : G C1p_exo anti
+A6 : G O4p_endo anti
+A7 : C C3p_endo anti
+A8 : G C3p_endo anti
+A9 : C C3p_endo anti
+A10 : A C3p_endo anti
+A11 : G C3p_endo anti
+A12 : C C3p_endo anti
+A13 : U C2p_exo anti
+A14 : U C2p_endo anti
+A15 : C C3p_exo anti
+A16 : G C3p_endo syn
+A17 : G C3p_endo anti
+A18 : C C3p_endo anti
+A19 : U C3p_endo anti
+A20 : G C3p_endo anti
+A21 : C C3p_endo anti
+A22 : G C3p_endo anti
+A23 : G C2p_endo syn
+A24 : U C3p_exo anti
+A25 : A C2p_exo anti
+A26 : C C3p_endo anti
+A27 : A C3p_endo anti
+A28 : C C3p_endo anti
+A29 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A16-A17 : adjacent_5p outward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+A21-A22 : adjacent_5p upward 
+A25-A26 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+A27-A28 : adjacent_5p upward 
+A28-A29 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-A27 : outward 
+A8-A22 : outward 
+A10-A20 : outward 
+A23-A25 : outward 
+Number of stackings = 25
+Number of adjacent stackings = 21
+Number of non adjacent stackings = 4
+Base-pairs ------------------------------------------------------
+A1-A29 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A28 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A27 : U-A Ww/Ww pairing antiparallel cis XX 
+A4-A26 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-A6 : G-G O2'/Hh adjacent_5p pairing 
+A5-A25 : G-A Ww/Ww pairing antiparallel cis VIII 
+A6-A23 : G-G Ww/Ww pairing parallel trans III 
+A7-A22 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-A21 : G-C Ww/Ww pairing antiparallel cis XIX 
+A9-A20 : C-G Ww/Ww pairing antiparallel cis XIX 
+A10-A19 : A-U Ww/Ww pairing antiparallel cis XX 
+A11-A18 : G-C Ww/Ww pairing antiparallel cis XIX 
+A12-A17 : C-G Ww/Ww pairing antiparallel cis XIX 
+A13-A16 : U-G Bs/Ww pairing parallel trans 87 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : U C3p_endo anti
+A4 : G C3p_endo anti
+A5 : G C2p_exo anti
+A6 : G C4p_exo anti
+A7 : C C3p_endo anti
+A8 : G C3p_endo anti
+A9 : C C3p_endo anti
+A10 : A C3p_endo anti
+A11 : G C3p_endo anti
+A12 : C C3p_endo anti
+A13 : U C2p_exo anti
+A14 : U C3p_exo anti
+A15 : C C3p_exo anti
+A16 : G C3p_endo syn
+A17 : G C3p_endo anti
+A18 : C C3p_endo anti
+A19 : U C3p_endo anti
+A20 : G C3p_endo anti
+A21 : C C3p_endo anti
+A22 : G C3p_endo anti
+A23 : G C2p_endo anti
+A24 : U C3p_exo anti
+A25 : A C1p_endo anti
+A26 : C C3p_endo anti
+A27 : A C3p_endo anti
+A28 : C C3p_endo anti
+A29 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A16-A17 : adjacent_5p outward 
+A17-A18 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+A21-A22 : adjacent_5p upward 
+A25-A26 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+A27-A28 : adjacent_5p upward 
+A28-A29 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-A27 : outward 
+A8-A22 : outward 
+A10-A20 : outward 
+A23-A25 : outward 
+Number of stackings = 23
+Number of adjacent stackings = 19
+Number of non adjacent stackings = 4
+Base-pairs ------------------------------------------------------
+A1-A29 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A28 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A27 : U-A Ww/Ww pairing antiparallel cis XX 
+A4-A26 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-A25 : G-A Ww/Ww pairing antiparallel cis VIII 
+A6-A23 : G-G Ww/Ww pairing parallel trans III 
+A7-A22 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-A21 : G-C Ww/Ww pairing antiparallel cis XIX 
+A9-A20 : C-G Ww/Ww pairing antiparallel cis XIX 
+A10-A19 : A-U Ww/Ww pairing antiparallel cis XX 
+A11-A18 : G-C Ww/Ww pairing antiparallel cis XIX 
+A12-A17 : C-G Ww/Ww pairing antiparallel cis XIX 
+A13-A16 : U-G Bs/Ww pairing parallel trans one_hbond 
+A15-A16 : C-G O2'/Ss adjacent_5p pairing 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : U C3p_endo anti
+A4 : G C3p_endo anti
+A5 : G C1p_endo anti
+A6 : G O4p_endo anti
+A7 : C C2p_exo anti
+A8 : G C3p_endo anti
+A9 : C C3p_endo anti
+A10 : A C3p_endo anti
+A11 : G C3p_endo anti
+A12 : C C3p_endo anti
+A13 : U C2p_exo anti
+A14 : U C3p_exo anti
+A15 : C C2p_endo anti
+A16 : G C3p_endo syn
+A17 : G C2p_exo anti
+A18 : C C3p_endo anti
+A19 : U C3p_endo anti
+A20 : G C3p_endo anti
+A21 : C C3p_endo anti
+A22 : G C3p_endo anti
+A23 : G C2p_endo syn
+A24 : U C3p_exo anti
+A25 : A C1p_endo anti
+A26 : C C3p_endo anti
+A27 : A C3p_endo anti
+A28 : C C3p_endo anti
+A29 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A15-A16 : adjacent_5p inward 
+A16-A17 : adjacent_5p outward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+A21-A22 : adjacent_5p upward 
+A25-A26 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+A27-A28 : adjacent_5p upward 
+A28-A29 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-A27 : outward 
+A8-A22 : outward 
+A10-A20 : outward 
+A23-A25 : outward 
+Number of stackings = 26
+Number of adjacent stackings = 22
+Number of non adjacent stackings = 4
+Base-pairs ------------------------------------------------------
+A1-A29 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A28 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A27 : U-A Ww/Ww pairing antiparallel cis XX 
+A4-A26 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-A25 : G-A Ww/Ww pairing antiparallel cis VIII 
+A6-A23 : G-G Ww/Ww pairing parallel trans III 
+A7-A22 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-A21 : G-C Ww/Ww pairing antiparallel cis XIX 
+A9-A20 : C-G Ww/Ww pairing antiparallel cis XIX 
+A10-A19 : A-U Ww/Ww pairing antiparallel cis XX 
+A11-A18 : G-C Ww/Ww pairing antiparallel cis XIX 
+A12-A17 : C-G Ww/Ww pairing antiparallel cis XIX 
+A13-A14 : U-U O2P/Hh O2P/Ww adjacent_5p pairing 
+A13-A16 : U-G Bs/Ww pairing parallel trans one_hbond 
diff --git a/MCdata/1ebr_MC b/MCdata/1ebr_MC
new file mode 100644
index 0000000000000000000000000000000000000000..1c801f08baf44668cbe7b7e69d21a14ea1ddce5a
--- /dev/null
+++ b/MCdata/1ebr_MC
@@ -0,0 +1,385 @@
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : U C3p_endo anti
+A4 : G C3p_endo anti
+A5 : G C3p_exo anti
+A6 : G O4p_endo anti
+A7 : C C3p_endo anti
+A8 : G C2p_exo anti
+A9 : C C3p_endo anti
+A10 : A C3p_endo anti
+A11 : G C3p_endo anti
+A12 : C C3p_endo anti
+A13 : U C2p_exo anti
+A14 : U C3p_exo anti
+A15 : C C3p_exo anti
+A16 : G C3p_endo syn
+A17 : G C3p_endo anti
+A18 : C C3p_endo anti
+A19 : U C3p_endo anti
+A20 : G C4p_exo anti
+A21 : A C3p_exo syn
+A22 : C O4p_endo anti
+A23 : G C3p_endo anti
+A24 : G C3p_exo syn
+A25 : U C2p_endo anti
+A26 : A C4p_exo anti
+A27 : C C3p_endo anti
+A28 : A C3p_endo anti
+A29 : C C3p_endo anti
+A30 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward pairing 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A16-A17 : adjacent_5p outward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+A22-A23 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+A27-A28 : adjacent_5p upward 
+A28-A29 : adjacent_5p upward 
+A29-A30 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-A28 : outward 
+A13-A15 : upward 
+A24-A26 : outward pairing 
+Number of stackings = 20
+Number of adjacent stackings = 17
+Number of non adjacent stackings = 3
+Base-pairs ------------------------------------------------------
+A1-A30 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A29 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A28 : U-A Ww/Ww pairing antiparallel cis XX 
+A4-A27 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-A6 : G-G O2'/Hh adjacent_5p pairing 
+A5-A26 : G-A Ww/Ww pairing antiparallel cis VIII 
+A6-A7 : G-C O2P/Bh adjacent_5p pairing 
+A6-A24 : G-G Ww/Ww pairing parallel trans III 
+A7-A23 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-A9 : G-C O2P/Bh adjacent_5p upward pairing 
+A8-A22 : G-C Ww/Ww pairing antiparallel cis XIX 
+A9-A20 : C-G Ww/Ww pairing antiparallel cis XIX 
+A10-A19 : A-U Ww/Ww pairing antiparallel cis XX 
+A11-A18 : G-C Ww/Ww pairing antiparallel cis XIX 
+A12-A17 : C-G Ww/Ww pairing antiparallel cis XIX 
+A13-A16 : U-G Bs/Ww pairing parallel trans one_hbond 
+A14-A16 : U-G O2'/Hh pairing 
+A20-A22 : G-C O2'/Bh pairing 
+A23-A24 : G-G O2'/Bs adjacent_5p pairing 
+A24-A26 : G-A O2'/Hh outward pairing 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : U C3p_endo anti
+A4 : G C3p_endo anti
+A5 : G C3p_exo anti
+A6 : G O4p_endo anti
+A7 : C C4p_exo anti
+A8 : G C2p_exo anti
+A9 : C C3p_endo anti
+A10 : A C3p_endo anti
+A11 : G C3p_endo anti
+A12 : C C3p_endo anti
+A13 : U C3p_endo anti
+A14 : U C2p_endo anti
+A15 : C C3p_exo anti
+A16 : G C2p_exo syn
+A17 : G C3p_endo anti
+A18 : C C3p_endo anti
+A19 : U C3p_endo anti
+A20 : G O4p_endo anti
+A21 : A C2p_endo syn
+A22 : C O4p_endo anti
+A23 : G O4p_endo anti
+A24 : G C3p_exo anti
+A25 : U C3p_exo anti
+A26 : A O4p_endo anti
+A27 : C C3p_endo anti
+A28 : A C3p_endo anti
+A29 : C C3p_endo anti
+A30 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward pairing 
+A8-A9 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A16-A17 : adjacent_5p outward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+A22-A23 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+A28-A29 : adjacent_5p upward 
+A29-A30 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-A28 : outward 
+A10-A20 : outward 
+A13-A15 : upward 
+A24-A26 : outward 
+Number of stackings = 20
+Number of adjacent stackings = 16
+Number of non adjacent stackings = 4
+Base-pairs ------------------------------------------------------
+A1-A30 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A29 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A28 : U-A Ww/Ww pairing antiparallel cis XX 
+A4-A27 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-A6 : G-G O2'/Hh adjacent_5p upward pairing 
+A5-A7 : G-C O2'/Bh pairing 
+A5-A26 : G-A Ww/Ww pairing antiparallel cis VIII 
+A6-A24 : G-G Ww/Ww pairing parallel trans III 
+A7-A23 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-A22 : G-C Ww/Ww pairing antiparallel cis XIX 
+A9-A20 : C-G Ww/Ww pairing antiparallel cis XIX 
+A10-A19 : A-U Ww/Ww pairing antiparallel cis XX 
+A11-A18 : G-C Ww/Ww pairing antiparallel cis XIX 
+A12-A17 : C-G Ww/Ww pairing antiparallel cis XIX 
+A13-A16 : U-G Ws/Ws pairing parallel trans one_hbond 87 
+A14-A15 : U-C O2P/Bh adjacent_5p pairing 
+A14-A16 : U-G O2'/Ww pairing 
+A19-A21 : U-A Bs/Hw pairing parallel cis one_hbond 47 
+A20-A22 : G-C O2'/Bh pairing 
+A24-A25 : G-U O2'/Hh adjacent_5p pairing 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : U C3p_endo anti
+A4 : G C3p_endo anti
+A5 : G C3p_exo anti
+A6 : G C3p_endo anti
+A7 : C C1p_exo anti
+A8 : G C1p_exo anti
+A9 : C C3p_endo anti
+A10 : A C3p_endo anti
+A11 : G C3p_endo anti
+A12 : C C3p_endo anti
+A13 : U C2p_exo anti
+A14 : U C2p_endo anti
+A15 : C C2p_endo syn
+A16 : G C2p_exo syn
+A17 : G C3p_endo anti
+A18 : C C3p_endo anti
+A19 : U C3p_endo anti
+A20 : G C4p_exo anti
+A21 : A C3p_exo syn
+A22 : C C1p_exo anti
+A23 : G C4p_exo anti
+A24 : G C2p_endo syn
+A25 : U C3p_exo anti
+A26 : A C2p_exo anti
+A27 : C C3p_endo anti
+A28 : A C3p_endo anti
+A29 : C C3p_endo anti
+A30 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward pairing 
+A7-A8 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A15-A16 : adjacent_5p inward pairing 
+A16-A17 : adjacent_5p outward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+A22-A23 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+A27-A28 : adjacent_5p upward 
+A28-A29 : adjacent_5p upward 
+A29-A30 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-A28 : outward 
+A24-A26 : outward pairing 
+Number of stackings = 23
+Number of adjacent stackings = 21
+Number of non adjacent stackings = 2
+Base-pairs ------------------------------------------------------
+A1-A30 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A29 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A25 : U-U Hw/Ww pairing antiparallel trans one_hbond 81 
+A3-A28 : U-A Ww/Ww pairing antiparallel cis XX 
+A4-A27 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-A6 : G-G O2'/Hh adjacent_5p upward pairing 
+A5-A7 : G-C O2'/Bh pairing 
+A5-A26 : G-A Ww/Ww pairing antiparallel cis VIII 
+A6-A24 : G-G Ww/Ww pairing parallel trans III 
+A7-A23 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-A9 : G-C O2'/Hh adjacent_5p pairing 
+A8-A22 : G-C Ww/Ww pairing antiparallel cis XIX 
+A9-A20 : C-G Ww/Ww pairing antiparallel cis XIX 
+A10-A19 : A-U Ww/Ww pairing antiparallel cis XX 
+A11-A18 : G-C Ww/Ww pairing antiparallel cis XIX 
+A12-A17 : C-G Ww/Ww pairing antiparallel cis XIX 
+A13-A16 : U-G Bs/Ww pairing parallel trans 87 
+A14-A15 : U-C O2P/Bh adjacent_5p pairing 
+A15-A16 : C-G O2'/Bs adjacent_5p inward pairing 
+A23-A24 : G-G O2'/Bs O2'/Ss adjacent_5p pairing 
+A24-A26 : G-A O2'/Hh outward pairing 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : U C3p_endo anti
+A4 : G C3p_endo anti
+A5 : G C2p_endo syn
+A6 : G C4p_exo anti
+A7 : C C3p_endo anti
+A8 : G C3p_endo anti
+A9 : C C3p_endo anti
+A10 : A C3p_endo anti
+A11 : G C3p_endo anti
+A12 : C C3p_endo anti
+A13 : U C3p_endo anti
+A14 : U C3p_exo anti
+A15 : C C2p_endo syn
+A16 : G C3p_endo syn
+A17 : G C3p_endo anti
+A18 : C C2p_exo anti
+A19 : U C3p_endo anti
+A20 : G O4p_endo anti
+A21 : A C2p_endo syn
+A22 : C O4p_endo anti
+A23 : G O4p_endo anti
+A24 : G C3p_exo syn
+A25 : U C2p_endo anti
+A26 : A C1p_exo anti
+A27 : C C3p_endo anti
+A28 : A C3p_endo anti
+A29 : C C3p_endo anti
+A30 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward pairing 
+A6-A7 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A15-A16 : adjacent_5p inward pairing 
+A16-A17 : adjacent_5p outward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+A22-A23 : adjacent_5p upward 
+A28-A29 : adjacent_5p upward 
+A29-A30 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-A28 : outward 
+A10-A20 : outward 
+A24-A26 : outward pairing 
+Number of stackings = 20
+Number of adjacent stackings = 17
+Number of non adjacent stackings = 3
+Base-pairs ------------------------------------------------------
+A1-A30 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A29 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A28 : U-A Ww/Ww pairing antiparallel cis XX 
+A4-A27 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-A6 : G-G O2'/Hh adjacent_5p upward pairing 
+A5-A26 : G-A Ww/Ww pairing antiparallel cis VIII 
+A6-A24 : G-G Ww/Ww pairing parallel trans III 
+A7-A23 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-A22 : G-C Ww/Ww pairing antiparallel cis XIX 
+A9-A20 : C-G Ww/Ww pairing antiparallel cis XIX 
+A10-A19 : A-U Ww/Ww pairing antiparallel cis XX 
+A11-A18 : G-C Ww/Ww pairing antiparallel cis XIX 
+A12-A17 : C-G Ww/Ww pairing antiparallel cis XIX 
+A13-A15 : U-C Ws/Hh Ww/O2' pairing antiparallel trans one_hbond 
+A14-A15 : U-C O2'/Hh adjacent_5p pairing 
+A15-A16 : C-G O2'/Bs adjacent_5p inward pairing 
+A24-A26 : G-A O2'/Hh outward pairing 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : U C3p_endo anti
+A4 : G C3p_endo anti
+A5 : G C3p_exo anti
+A6 : G O4p_endo anti
+A7 : C C4p_exo anti
+A8 : G C2p_exo anti
+A9 : C C3p_endo anti
+A10 : A C3p_endo anti
+A11 : G C3p_endo anti
+A12 : C C3p_endo anti
+A13 : U C3p_endo anti
+A14 : U C3p_exo anti
+A15 : C C3p_exo syn
+A16 : G C3p_endo syn
+A17 : G C3p_endo anti
+A18 : C C3p_endo anti
+A19 : U C3p_endo anti
+A20 : G O4p_endo anti
+A21 : A C2p_endo anti
+A22 : C C4p_exo anti
+A23 : G C4p_exo anti
+A24 : G C3p_exo syn
+A25 : U C2p_endo anti
+A26 : A C3p_endo anti
+A27 : C C3p_endo anti
+A28 : A C3p_endo anti
+A29 : C C3p_endo anti
+A30 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward pairing 
+A8-A9 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A15-A16 : adjacent_5p inward pairing 
+A16-A17 : adjacent_5p outward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+A22-A23 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+A27-A28 : adjacent_5p upward 
+A28-A29 : adjacent_5p upward 
+A29-A30 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-A28 : outward 
+Number of stackings = 21
+Number of adjacent stackings = 20
+Number of non adjacent stackings = 1
+Base-pairs ------------------------------------------------------
+A1-A30 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A29 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A28 : U-A Ww/Ww pairing antiparallel cis XX 
+A4-A27 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-A6 : G-G O2'/Hh O2'/C8 adjacent_5p upward pairing 
+A5-A26 : G-A Ww/Ww pairing antiparallel cis VIII 
+A6-A24 : G-G Ww/Ww pairing parallel trans III 
+A7-A8 : C-G O2'/C8 adjacent_5p pairing 
+A7-A23 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-A22 : G-C Ww/Ww pairing antiparallel cis XIX 
+A9-A20 : C-G Ww/Ww pairing antiparallel cis XIX 
+A10-A19 : A-U Ww/Ww pairing antiparallel cis XX 
+A11-A18 : G-C Ww/Ww pairing antiparallel cis XIX 
+A12-A17 : C-G Ww/Ww pairing antiparallel cis XIX 
+A13-A16 : U-G Bs/Ww pairing parallel trans 87 
+A15-A16 : C-G O2'/Bs O2'/Ss adjacent_5p inward pairing 
+A19-A21 : U-A Ss/Hw pairing antiparallel trans one_hbond 45 
+A20-A22 : G-C O2'/Bh pairing 
diff --git a/MCdata/1ebs_MC b/MCdata/1ebs_MC
new file mode 100644
index 0000000000000000000000000000000000000000..536768133fd79002352cb280dd1deef4e4321118
--- /dev/null
+++ b/MCdata/1ebs_MC
@@ -0,0 +1,383 @@
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : U C3p_endo anti
+A4 : G C4p_exo anti
+A5 : G C1p_exo anti
+A6 : G C3p_endo anti
+A7 : C C3p_endo anti
+A8 : G C3p_endo anti
+A9 : C C3p_endo anti
+A10 : A C3p_endo anti
+A11 : G C3p_endo anti
+A12 : C C3p_endo anti
+A13 : U C3p_endo anti
+A14 : U C3p_exo anti
+A15 : C C2p_endo anti
+A16 : G C3p_endo syn
+A17 : G C2p_exo anti
+A18 : C C3p_endo anti
+A19 : U C3p_endo anti
+A20 : G C3p_endo anti
+A21 : C C3p_endo anti
+A22 : G C3p_endo anti
+A23 : G C2p_endo anti
+A24 : U C3p_exo anti
+A25 : A O4p_endo anti
+A26 : C C4p_exo anti
+A27 : A C3p_endo anti
+A28 : C C3p_endo anti
+A29 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A16-A17 : adjacent_5p outward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+A21-A22 : adjacent_5p upward 
+A22-A23 : adjacent_5p inward 
+A25-A26 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+A27-A28 : adjacent_5p upward 
+A28-A29 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-A27 : outward 
+A10-A20 : outward 
+A23-A25 : outward 
+Number of stackings = 25
+Number of adjacent stackings = 22
+Number of non adjacent stackings = 3
+Base-pairs ------------------------------------------------------
+A1-A29 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A28 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A27 : U-A Ww/Ww pairing antiparallel cis XX 
+A4-A26 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-A25 : G-A Ww/Ww pairing antiparallel cis VIII 
+A6-A23 : G-G Ww/Ww pairing parallel trans III 
+A7-A22 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-A21 : G-C Ww/Ww pairing antiparallel cis XIX 
+A9-A20 : C-G Ww/Ww pairing antiparallel cis XIX 
+A10-A19 : A-U Ww/Ww pairing antiparallel cis XX 
+A11-A18 : G-C Ww/Ww pairing antiparallel cis XIX 
+A12-A17 : C-G Ww/Ww pairing antiparallel cis XIX 
+A13-A15 : U-C Ww/O2P pairing 
+A13-A16 : U-G Bs/Ww pairing parallel trans 87 
+A15-A16 : C-G O2'/Ss adjacent_5p pairing 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : U C3p_endo anti
+A4 : G C4p_exo anti
+A5 : G C1p_exo anti
+A6 : G C3p_endo anti
+A7 : C C3p_endo anti
+A8 : G C3p_endo anti
+A9 : C C3p_endo anti
+A10 : A C3p_endo anti
+A11 : G C3p_endo anti
+A12 : C C3p_endo anti
+A13 : U C3p_endo anti
+A14 : U C3p_exo anti
+A15 : C C3p_exo anti
+A16 : G C3p_endo syn
+A17 : G C2p_exo anti
+A18 : C C3p_endo anti
+A19 : U C3p_endo anti
+A20 : G C3p_endo anti
+A21 : C C3p_endo anti
+A22 : G C3p_endo anti
+A23 : G C2p_endo anti
+A24 : U C3p_exo anti
+A25 : A C3p_endo anti
+A26 : C C3p_endo anti
+A27 : A C3p_endo anti
+A28 : C C3p_endo anti
+A29 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A16-A17 : adjacent_5p outward 
+A17-A18 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+A21-A22 : adjacent_5p upward 
+A22-A23 : adjacent_5p inward 
+A25-A26 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+A27-A28 : adjacent_5p upward 
+A28-A29 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-A27 : outward 
+A8-A22 : outward 
+A10-A20 : outward 
+A13-A15 : upward 
+Number of stackings = 24
+Number of adjacent stackings = 20
+Number of non adjacent stackings = 4
+Base-pairs ------------------------------------------------------
+A1-A29 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A28 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A27 : U-A Ww/Ww pairing antiparallel cis XX 
+A4-A26 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-A25 : G-A Ww/Ww pairing antiparallel cis VIII 
+A6-A23 : G-G Ww/Ww pairing parallel trans III 
+A7-A22 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-A21 : G-C Ww/Ww pairing antiparallel cis XIX 
+A9-A20 : C-G Ww/Ww pairing antiparallel cis XIX 
+A10-A19 : A-U Ww/Ww pairing antiparallel cis XX 
+A11-A18 : G-C Ww/Ww pairing antiparallel cis XIX 
+A12-A17 : C-G Ww/Ww pairing antiparallel cis XIX 
+A13-A16 : U-G Bs/Ww pairing parallel trans one_hbond 
+A14-A15 : U-C O2P/Bh adjacent_5p pairing 
+A14-A16 : U-G O2'/Hh pairing 
+A23-A25 : G-A C8/O2' pairing 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : U C3p_endo anti
+A4 : G C4p_exo anti
+A5 : G O4p_endo anti
+A6 : G C3p_endo anti
+A7 : C C3p_endo anti
+A8 : G C3p_endo anti
+A9 : C C3p_endo anti
+A10 : A C3p_endo anti
+A11 : G C3p_endo anti
+A12 : C C3p_endo anti
+A13 : U C3p_endo anti
+A14 : U C3p_exo anti
+A15 : C C2p_endo anti
+A16 : G C3p_endo syn
+A17 : G C2p_exo anti
+A18 : C C3p_endo anti
+A19 : U C3p_endo anti
+A20 : G C3p_endo anti
+A21 : C C3p_endo anti
+A22 : G C3p_endo anti
+A23 : G C3p_exo anti
+A24 : U C3p_exo anti
+A25 : A C3p_exo anti
+A26 : C C4p_exo anti
+A27 : A C3p_endo anti
+A28 : C C3p_endo anti
+A29 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A15-A16 : adjacent_5p inward pairing 
+A16-A17 : adjacent_5p outward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+A21-A22 : adjacent_5p upward 
+A22-A23 : adjacent_5p inward 
+A25-A26 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+A27-A28 : adjacent_5p upward 
+A28-A29 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-A27 : outward 
+A8-A22 : outward 
+A10-A20 : outward 
+Number of stackings = 25
+Number of adjacent stackings = 22
+Number of non adjacent stackings = 3
+Base-pairs ------------------------------------------------------
+A1-A29 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A28 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A27 : U-A Ww/Ww pairing antiparallel cis XX 
+A4-A26 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-A25 : G-A Ww/Ww pairing antiparallel cis VIII 
+A6-A23 : G-G Ww/Ww pairing parallel trans III 
+A7-A22 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-A21 : G-C Ww/Ww pairing antiparallel cis XIX 
+A9-A20 : C-G Ww/Ww pairing antiparallel cis XIX 
+A10-A19 : A-U Ww/Ww pairing antiparallel cis XX 
+A11-A18 : G-C Ww/Ww pairing antiparallel cis XIX 
+A12-A17 : C-G Ww/Ww pairing antiparallel cis XIX 
+A13-A15 : U-C O2'/Bh pairing 
+A13-A16 : U-G Bs/Ww pairing parallel trans 87 
+A14-A15 : U-C O2'/Hh adjacent_5p pairing 
+A15-A16 : C-G O2'/Bs adjacent_5p inward pairing 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : U C3p_endo anti
+A4 : G C2p_endo anti
+A5 : G C1p_exo anti
+A6 : G C1p_exo anti
+A7 : C C3p_endo anti
+A8 : G C3p_endo anti
+A9 : C C3p_endo anti
+A10 : A C3p_endo anti
+A11 : G C3p_endo anti
+A12 : C C3p_endo anti
+A13 : U C3p_endo anti
+A14 : U C2p_endo syn
+A15 : C C3p_exo anti
+A16 : G C3p_endo syn
+A17 : G C2p_exo anti
+A18 : C C3p_endo anti
+A19 : U C3p_endo anti
+A20 : G C3p_endo anti
+A21 : C C3p_endo anti
+A22 : G C3p_endo anti
+A23 : G C2p_endo anti
+A24 : U C3p_exo anti
+A25 : A C1p_exo anti
+A26 : C C4p_exo anti
+A27 : A C3p_endo anti
+A28 : C C3p_endo anti
+A29 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward pairing 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A16-A17 : adjacent_5p outward 
+A17-A18 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+A21-A22 : adjacent_5p upward 
+A22-A23 : adjacent_5p inward 
+A25-A26 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+A27-A28 : adjacent_5p upward 
+A28-A29 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-A27 : outward 
+A10-A20 : outward 
+A13-A15 : upward 
+A23-A25 : outward 
+Number of stackings = 25
+Number of adjacent stackings = 21
+Number of non adjacent stackings = 4
+Base-pairs ------------------------------------------------------
+A1-A29 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A28 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A27 : U-A Ww/Ww pairing antiparallel cis XX 
+A4-A5 : G-G O2'/C8 adjacent_5p upward pairing 
+A4-A26 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-A25 : G-A Ww/Ww pairing antiparallel cis VIII 
+A6-A23 : G-G Ww/Ww pairing parallel trans III 
+A7-A22 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-A21 : G-C Ww/Ww pairing antiparallel cis XIX 
+A9-A20 : C-G Ww/Ww pairing antiparallel cis XIX 
+A10-A19 : A-U Ww/Ww pairing antiparallel cis XX 
+A11-A18 : G-C Ww/Ww pairing antiparallel cis XIX 
+A12-A17 : C-G Ww/Ww pairing antiparallel cis XIX 
+A13-A16 : U-G Bs/Ww pairing parallel trans one_hbond 
+A14-A15 : U-C O2P/Bh adjacent_5p pairing 
+A14-A16 : U-G O2'/Hh pairing 
+Residue conformations -------------------------------------------
+A1 : G C3p_endo anti
+A2 : G C3p_endo anti
+A3 : U C3p_endo anti
+A4 : G C3p_endo anti
+A5 : G C3p_endo anti
+A6 : G C4p_exo anti
+A7 : C C3p_endo anti
+A8 : G C3p_endo anti
+A9 : C C3p_endo anti
+A10 : A C3p_endo anti
+A11 : G C3p_endo anti
+A12 : C C3p_endo anti
+A13 : U C2p_exo anti
+A14 : U C2p_endo anti
+A15 : C C3p_exo anti
+A16 : G C3p_endo syn
+A17 : G C3p_endo anti
+A18 : C C3p_endo anti
+A19 : U C3p_endo anti
+A20 : G C3p_endo anti
+A21 : C C3p_endo anti
+A22 : G C3p_endo anti
+A23 : G C2p_endo anti
+A24 : U C3p_exo anti
+A25 : A C2p_endo anti
+A26 : C C4p_exo anti
+A27 : A C3p_endo anti
+A28 : C C3p_endo anti
+A29 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A16-A17 : adjacent_5p outward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+A20-A21 : adjacent_5p upward 
+A21-A22 : adjacent_5p upward 
+A22-A23 : adjacent_5p inward 
+A25-A26 : adjacent_5p upward 
+A26-A27 : adjacent_5p upward 
+A27-A28 : adjacent_5p upward 
+A28-A29 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A4-A27 : outward 
+A8-A22 : outward 
+A10-A20 : outward 
+A23-A25 : outward 
+Number of stackings = 27
+Number of adjacent stackings = 23
+Number of non adjacent stackings = 4
+Base-pairs ------------------------------------------------------
+A1-A29 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-A28 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-A27 : U-A Ww/Ww pairing antiparallel cis XX 
+A4-A26 : G-C Ww/Ww pairing antiparallel cis XIX 
+A5-A25 : G-A Ww/Ww pairing antiparallel cis VIII 
+A6-A23 : G-G Ww/Ww pairing parallel trans III 
+A7-A22 : C-G Ww/Ww pairing antiparallel cis XIX 
+A8-A21 : G-C Ww/Ww pairing antiparallel cis XIX 
+A9-A20 : C-G Ww/Ww pairing antiparallel cis XIX 
+A10-A19 : A-U Ww/Ww pairing antiparallel cis XX 
+A11-A18 : G-C Ww/Ww pairing antiparallel cis XIX 
+A12-A17 : C-G Ww/Ww pairing antiparallel cis XIX 
+A13-A16 : U-G Ws/Ww pairing parallel trans one_hbond 
+A14-A16 : U-G Hh/Hw pairing antiparallel cis one_hbond 
diff --git a/MCdata/1ec6_MC b/MCdata/1ec6_MC
new file mode 100644
index 0000000000000000000000000000000000000000..125f1aebc47e95fd00accd5ecc31755cddb5bfa2
--- /dev/null
+++ b/MCdata/1ec6_MC
@@ -0,0 +1,427 @@
+Residue conformations -------------------------------------------
+C1 : G C3p_endo anti
+C2 : A C3p_endo anti
+C3 : G C2p_exo anti
+C4 : G C3p_endo anti
+C5 : A C3p_endo anti
+C6 : C C3p_endo anti
+C7 : C C3p_endo anti
+C8 : U O4p_endo anti
+C9 : A C3p_endo anti
+C10 : G O4p_endo syn
+C11 : A O4p_endo anti
+C12 : U C4p_exo anti
+C13 : C O4p_endo anti
+C14 : A C3p_endo anti
+C15 : C C3p_endo anti
+C16 : C C3p_endo anti
+C17 : C C3p_endo anti
+C18 : C C3p_endo anti
+C19 : U C3p_endo anti
+C20 : C C2p_exo anti
+D1 : G C3p_endo anti
+D2 : A C3p_endo anti
+D3 : G C2p_exo anti
+D4 : G C3p_endo anti
+D5 : A C3p_endo anti
+D6 : C C3p_endo anti
+D7 : C C2p_exo anti
+D8 : U C2p_exo anti
+D9 : A C3p_endo anti
+D10 : G C3p_endo anti
+D11 : A C4p_exo syn
+D12 : U C4p_exo anti
+D13 : C O4p_endo anti
+D14 : A C3p_endo anti
+D15 : C C3p_endo anti
+D16 : C C3p_endo anti
+D17 : C C3p_endo anti
+D18 : C C3p_endo anti
+D19 : U C3p_endo anti
+D20 : C C3p_endo anti
+A4 : MET
+A5 : LYS
+A6 : GLU
+A7 : LEU
+A8 : VAL
+A9 : GLU
+A10 : ILE
+A11 : ALA
+A12 : VAL
+A13 : PRO
+A14 : GLU
+A15 : ASN
+A16 : LEU
+A17 : VAL
+A18 : GLY
+A19 : ALA
+A20 : ILE
+A21 : LEU
+A22 : GLY
+A23 : LYS
+A24 : GLY
+A25 : GLY
+A26 : LYS
+A27 : THR
+A28 : LEU
+A29 : VAL
+A30 : GLU
+A31 : TYR
+A32 : GLN
+A33 : GLU
+A34 : LEU
+A35 : THR
+A36 : GLY
+A37 : ALA
+A38 : ARG
+A39 : ILE
+A40 : GLN
+A41 : ILE
+A42 : SER
+A43 : LYS
+A44 : LYS
+A45 : GLY
+A46 : GLU
+A47 : PHE
+A48 : LEU
+A49 : PRO
+A50 : GLY
+A51 : THR
+A52 : ARG
+A53 : ASN
+A54 : ARG
+A55 : ARG
+A56 : VAL
+A57 : THR
+A58 : ILE
+A59 : THR
+A60 : GLY
+A61 : SER
+A62 : PRO
+A63 : ALA
+A64 : ALA
+A65 : THR
+A66 : GLN
+A67 : ALA
+A68 : ALA
+A69 : GLN
+A70 : TYR
+A71 : LEU
+A72 : ILE
+A73 : SER
+A74 : GLN
+A75 : ARG
+A76 : VAL
+A77 : THR
+A78 : TYR
+A79 : GLU
+A80 : GLN
+A81 : GLY
+A82 : VAL
+A83 : ARG
+A84 : ALA
+A85 : SER
+A86 : ASN
+A87 : PRO
+A88 : GLN
+A89 : LYS
+A90 : VAL
+B4 : MET
+B5 : LYS
+B6 : GLU
+B7 : LEU
+B8 : VAL
+B9 : GLU
+B10 : ILE
+B11 : ALA
+B12 : VAL
+B13 : PRO
+B14 : GLU
+B15 : ASN
+B16 : LEU
+B17 : VAL
+B18 : GLY
+B19 : ALA
+B20 : ILE
+B21 : LEU
+B22 : GLY
+B23 : LYS
+B24 : GLY
+B25 : GLY
+B26 : LYS
+B27 : THR
+B28 : LEU
+B29 : VAL
+B30 : GLU
+B31 : TYR
+B32 : GLN
+B33 : GLU
+B34 : LEU
+B35 : THR
+B36 : GLY
+B37 : ALA
+B38 : ARG
+B39 : ILE
+B40 : GLN
+B41 : ILE
+B42 : SER
+B43 : LYS
+B44 : LYS
+B45 : GLY
+B46 : GLU
+B47 : PHE
+B48 : LEU
+B49 : PRO
+B50 : GLY
+B51 : THR
+B52 : ARG
+B53 : ASN
+B54 : ARG
+B55 : ARG
+B56 : VAL
+B57 : THR
+B58 : ILE
+B59 : THR
+B60 : GLY
+B61 : SER
+B62 : PRO
+B63 : ALA
+B64 : ALA
+B65 : THR
+B66 : GLN
+B67 : ALA
+B68 : ALA
+B69 : GLN
+B70 : TYR
+B71 : LEU
+B72 : ILE
+B73 : SER
+B74 : GLN
+B75 : ARG
+B76 : VAL
+B77 : THR
+B78 : TYR
+B79 : GLU
+B80 : GLN
+B81 : GLY
+B82 : VAL
+B83 : ARG
+B84 : ALA
+B85 : SER
+B86 : ASN
+B87 : PRO
+C21 : HOH
+C22 : HOH
+C23 : HOH
+C24 : HOH
+C25 : HOH
+C26 : HOH
+C27 : HOH
+C28 : HOH
+C29 : HOH
+C30 : HOH
+C31 : HOH
+C32 : HOH
+C33 : HOH
+C34 : HOH
+C35 : HOH
+C36 : HOH
+C37 : HOH
+C38 : HOH
+C39 : HOH
+C40 : HOH
+C41 : HOH
+C42 : HOH
+C43 : HOH
+C44 : HOH
+C45 : HOH
+C46 : HOH
+D21 : HOH
+D22 : HOH
+D23 : HOH
+D24 : HOH
+D25 : HOH
+D26 : HOH
+D27 : HOH
+D28 : HOH
+D29 : HOH
+D30 : HOH
+D31 : HOH
+D32 : HOH
+D33 : HOH
+D34 : HOH
+D35 : HOH
+D36 : HOH
+D37 : HOH
+D38 : HOH
+D39 : HOH
+D40 : HOH
+D41 : HOH
+D42 : HOH
+D43 : HOH
+D44 : HOH
+D45 : HOH
+D46 : HOH
+D47 : HOH
+D48 : HOH
+D49 : HOH
+A91 : HOH
+A92 : HOH
+A93 : HOH
+A94 : HOH
+A95 : HOH
+A96 : HOH
+A97 : HOH
+A98 : HOH
+A99 : HOH
+A100 : HOH
+A101 : HOH
+A102 : HOH
+A103 : HOH
+A104 : HOH
+A105 : HOH
+A106 : HOH
+A107 : HOH
+A108 : HOH
+A109 : HOH
+A110 : HOH
+A111 : HOH
+A112 : HOH
+A113 : HOH
+A114 : HOH
+A115 : HOH
+A116 : HOH
+A117 : HOH
+A118 : HOH
+A119 : HOH
+A120 : HOH
+A121 : HOH
+A122 : HOH
+A123 : HOH
+A124 : HOH
+A125 : HOH
+A126 : HOH
+A127 : HOH
+A128 : HOH
+A129 : HOH
+A130 : HOH
+A131 : HOH
+A132 : HOH
+A133 : HOH
+A134 : HOH
+A135 : HOH
+A136 : HOH
+A137 : HOH
+A138 : HOH
+A139 : HOH
+A140 : HOH
+A141 : HOH
+A142 : HOH
+A143 : HOH
+A144 : HOH
+A145 : HOH
+B91 : HOH
+B92 : HOH
+B93 : HOH
+B94 : HOH
+B95 : HOH
+B96 : HOH
+B97 : HOH
+B98 : HOH
+B99 : HOH
+B100 : HOH
+B101 : HOH
+B102 : HOH
+B103 : HOH
+B104 : HOH
+B105 : HOH
+B106 : HOH
+B107 : HOH
+B108 : HOH
+B109 : HOH
+B110 : HOH
+B111 : HOH
+B112 : HOH
+B113 : HOH
+B114 : HOH
+B115 : HOH
+B116 : HOH
+B117 : HOH
+B118 : HOH
+B119 : HOH
+B120 : HOH
+B121 : HOH
+B122 : HOH
+B123 : HOH
+B124 : HOH
+B125 : HOH
+B126 : HOH
+B127 : HOH
+B128 : HOH
+B129 : HOH
+B130 : HOH
+B131 : HOH
+B132 : HOH
+B133 : HOH
+B134 : HOH
+B135 : HOH
+B136 : HOH
+B137 : HOH
+B138 : HOH
+B139 : HOH
+B140 : HOH
+B141 : HOH
+B142 : HOH
+B143 : HOH
+B144 : HOH
+B145 : HOH
+B146 : HOH
+B147 : HOH
+B148 : HOH
+B149 : HOH
+B150 : HOH
+Adjacent stackings ----------------------------------------------
+C1-C2 : adjacent_5p upward 
+C2-C3 : adjacent_5p upward 
+C3-C4 : adjacent_5p upward 
+C4-C5 : adjacent_5p upward 
+C5-C6 : adjacent_5p upward 
+C14-C15 : adjacent_5p upward 
+C15-C16 : adjacent_5p upward 
+C16-C17 : adjacent_5p upward 
+C17-C18 : adjacent_5p upward 
+C18-C19 : adjacent_5p upward 
+C19-C20 : adjacent_5p upward 
+D1-D2 : adjacent_5p upward 
+D2-D3 : adjacent_5p upward 
+D3-D4 : adjacent_5p upward 
+D4-D5 : adjacent_5p upward 
+D5-D6 : adjacent_5p upward 
+D6-D7 : adjacent_5p upward 
+D9-D10 : adjacent_5p upward 
+D14-D15 : adjacent_5p upward 
+D15-D16 : adjacent_5p upward 
+D16-D17 : adjacent_5p upward 
+D17-D18 : adjacent_5p upward 
+D19-D20 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+C4-C18 : outward 
+C7-C9 : upward 
+Number of stackings = 25
+Number of adjacent stackings = 23
+Number of non adjacent stackings = 2
+Base-pairs ------------------------------------------------------
+C1-C20 : G-C Ww/Ww pairing antiparallel cis XIX 
+C2-C19 : A-U Ww/Ww pairing antiparallel cis XX 
+C3-C18 : G-C Ww/Ww pairing antiparallel cis XIX 
+C4-C17 : G-C Ww/Ww pairing antiparallel cis XIX 
+C5-C14 : A-A Bh/O2P pairing 
+C5-C16 : A-C Ww/Wh pairing antiparallel cis one_hbond 71 
+C7-C10 : C-G Bs/Ww pairing parallel trans 129 
+C8-C10 : U-G O2'/Hh pairing 
+C12-C13 : U-C O2P/Bh adjacent_5p pairing 
+D1-D20 : G-C Ww/Ww pairing antiparallel cis XIX 
+D2-D19 : A-U Ww/Ww pairing antiparallel cis XX 
+D3-D18 : G-C Ww/Ww pairing antiparallel cis XIX 
+D4-D17 : G-C Ww/Ww pairing antiparallel cis XIX 
+D13-D14 : C-A O2'/Hh adjacent_5p pairing 
diff --git a/MCdata/1efo_MC b/MCdata/1efo_MC
new file mode 100644
index 0000000000000000000000000000000000000000..94b18d181e0dd28f54a749b697f03eed0fbc1e5a
--- /dev/null
+++ b/MCdata/1efo_MC
@@ -0,0 +1,72 @@
+Residue conformations -------------------------------------------
+A1 : C C3p_endo anti
+A2 : T C3p_endo anti
+A3 : C C3p_endo anti
+A4 : C C3p_endo anti
+A5 : T C3p_endo anti
+A6 : C C3p_endo anti
+A7 : T C3p_endo anti
+A8 : T C4p_exo anti
+A9 : C C4p_exo anti
+B10 : G C3p_endo anti
+B11 : A C3p_endo anti
+B12 : A C3p_endo anti
+B13 : G C3p_endo anti
+B14 : A C3p_endo anti
+B15 : G C3p_endo anti
+B16 : A C3p_endo anti
+B17 : G C3p_endo anti
+B18 : A C3p_endo anti
+B19 : G C3p_endo anti
+A103 : HOH
+A106 : HOH
+A113 : HOH
+A117 : HOH
+A118 : HOH
+A120 : HOH
+A121 : HOH
+B101 : HOH
+B102 : HOH
+B104 : HOH
+B105 : HOH
+B107 : HOH
+B108 : HOH
+B109 : HOH
+B110 : HOH
+B111 : HOH
+B112 : HOH
+B114 : HOH
+B115 : HOH
+B116 : HOH
+B119 : HOH
+B122 : HOH
+B123 : HOH
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+B10-B11 : adjacent_5p upward 
+B11-B12 : adjacent_5p upward 
+B12-B13 : adjacent_5p upward 
+B13-B14 : adjacent_5p upward 
+B14-B15 : adjacent_5p upward 
+B17-B18 : adjacent_5p upward 
+B18-B19 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+B15-B17 : upward 
+Number of stackings = 14
+Number of adjacent stackings = 13
+Number of non adjacent stackings = 1
+Base-pairs ------------------------------------------------------
+A1-B19 : C-G Ww/Ww pairing antiparallel cis XIX 
+A2-B18 : T-A Ww/Ww pairing antiparallel cis 
+A3-B17 : C-G Ww/Ww pairing antiparallel cis XIX 
+A4-B15 : C-G Ww/Ww pairing antiparallel cis XIX 
+A5-B14 : T-A Ww/Ww pairing antiparallel cis 
+A6-B13 : C-G Ww/Ww pairing antiparallel cis XIX 
+A7-B12 : T-A Ww/Ww pairing antiparallel cis 
+A8-B11 : T-A Ww/Ww pairing antiparallel cis 
+A9-B10 : C-G Ww/Ww pairing antiparallel cis XIX 
diff --git a/MCdata/1efs_MC b/MCdata/1efs_MC
new file mode 100644
index 0000000000000000000000000000000000000000..0e73c6df0e2642a2dbd1444c3883b0a7e6bfbd3d
--- /dev/null
+++ b/MCdata/1efs_MC
@@ -0,0 +1,681 @@
+Residue conformations -------------------------------------------
+A1 : G C2p_endo anti
+A2 : A C2p_endo anti
+A3 : G C2p_endo anti
+A4 : A C2p_endo anti
+A5 : G C2p_endo anti
+A6 : G C2p_endo anti
+A7 : A O4p_endo anti
+A8 : A C2p_endo anti
+A9 : G C2p_endo anti
+A10 : A C2p_endo anti
+A11 : G C2p_endo anti
+A12 : A C1p_exo anti
+A13 : A C3p_endo anti
+B26 : U C3p_endo anti
+B25 : U C3p_endo anti
+B24 : C C3p_endo anti
+B23 : U C3p_endo anti
+B22 : C C3p_endo anti
+B21 : U C3p_endo anti
+B20 : U C3p_endo anti
+B19 : C C3p_endo anti
+B18 : C C3p_endo anti
+B17 : U C3p_endo anti
+B16 : C C3p_endo anti
+B15 : U C3p_endo anti
+B14 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+B14-B15 : adjacent_3p downward 
+B15-B16 : adjacent_3p downward 
+B16-B17 : adjacent_3p downward 
+B17-B18 : adjacent_3p downward 
+B18-B19 : adjacent_3p downward 
+B19-B20 : adjacent_3p downward 
+B20-B21 : adjacent_3p downward 
+B22-B23 : adjacent_3p downward 
+B23-B24 : adjacent_3p downward 
+B24-B25 : adjacent_3p downward 
+B25-B26 : adjacent_3p downward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 23
+Number of adjacent stackings = 23
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A1-B14 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-B15 : A-U Ww/Ww pairing antiparallel cis XX 
+A3-B16 : G-C Ww/Ww pairing antiparallel cis XIX 
+A4-B17 : A-U Ww/Ww pairing antiparallel cis XX 
+A5-B18 : G-C Ww/Ww pairing antiparallel cis XIX 
+A6-B19 : G-C Ww/Ww pairing antiparallel cis XIX 
+A7-B20 : A-U Ww/Ww pairing antiparallel cis XX 
+A8-B21 : A-U Ww/Ww pairing antiparallel cis XX 
+A9-B22 : G-C Ww/Ww pairing antiparallel cis XIX 
+A10-B23 : A-U Ww/Ww pairing antiparallel cis XX 
+A11-B24 : G-C Ww/Ww pairing antiparallel cis XIX 
+A12-B25 : A-U Ww/Ww pairing antiparallel cis XX 
+A13-B26 : A-U Ww/Ww pairing antiparallel cis XX 
+Residue conformations -------------------------------------------
+A1 : G C2p_endo anti
+A2 : A C2p_endo anti
+A3 : G C2p_endo anti
+A4 : A C1p_exo anti
+A5 : G C2p_endo anti
+A6 : G C2p_endo anti
+A7 : A O4p_endo anti
+A8 : A C2p_endo anti
+A9 : G C2p_endo syn
+A10 : A C1p_exo syn
+A11 : G C1p_exo anti
+A12 : A C1p_exo syn
+A13 : A C3p_endo anti
+B26 : U C3p_endo anti
+B25 : U C3p_endo anti
+B24 : C C3p_endo anti
+B23 : U C3p_endo anti
+B22 : C C3p_endo anti
+B21 : U C3p_endo anti
+B20 : U C3p_endo anti
+B19 : C C3p_endo anti
+B18 : C C3p_endo anti
+B17 : U C3p_endo anti
+B16 : C C3p_endo anti
+B15 : U C3p_endo anti
+B14 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+B14-B15 : adjacent_3p downward 
+B15-B16 : adjacent_3p downward 
+B17-B18 : adjacent_3p downward 
+B18-B19 : adjacent_3p downward 
+B19-B20 : adjacent_3p downward 
+B20-B21 : adjacent_3p downward 
+B21-B22 : adjacent_3p downward 
+B23-B24 : adjacent_3p downward 
+B25-B26 : adjacent_3p downward 
+Non-Adjacent stackings ------------------------------------------
+A4-B16 : outward 
+Number of stackings = 21
+Number of adjacent stackings = 20
+Number of non adjacent stackings = 1
+Base-pairs ------------------------------------------------------
+A1-B14 : G-C Ww/Ww pairing antiparallel cis one_hbond 
+A2-B15 : A-U Ww/Ww pairing antiparallel cis XX 
+A3-B16 : G-C Ww/Ww pairing antiparallel cis XIX 
+A4-B17 : A-U Ww/Ww pairing antiparallel cis XX 
+A5-B18 : G-C Ww/Ww pairing antiparallel cis XIX 
+A6-B19 : G-C Ww/Ww pairing antiparallel cis XIX 
+A7-B20 : A-U Ww/Ww pairing antiparallel cis XX 
+A8-B21 : A-U Ww/Ww pairing antiparallel cis XX 
+A9-B22 : G-C Ww/Ww pairing antiparallel cis XIX 
+A10-B23 : A-U Ww/Ww pairing antiparallel cis XX 
+A11-B24 : G-C Ww/Ww pairing antiparallel cis XIX 
+A12-B25 : A-U Ww/Ww pairing antiparallel cis XX 
+A13-B26 : A-U Ww/Ww pairing antiparallel cis XX 
+Residue conformations -------------------------------------------
+A1 : G C2p_endo anti
+A2 : A C2p_endo anti
+A3 : G C2p_endo anti
+A4 : A C2p_endo anti
+A5 : G C2p_endo anti
+A6 : G C2p_endo anti
+A7 : A O4p_endo anti
+A8 : A C2p_endo anti
+A9 : G C2p_endo anti
+A10 : A C2p_endo anti
+A11 : G C2p_endo anti
+A12 : A C1p_exo anti
+A13 : A C2p_endo anti
+B26 : U C3p_endo anti
+B25 : U C3p_endo anti
+B24 : C C3p_endo anti
+B23 : U C3p_endo anti
+B22 : C C3p_endo anti
+B21 : U C3p_endo anti
+B20 : U C3p_endo anti
+B19 : C C3p_endo anti
+B18 : C C3p_endo anti
+B17 : U C3p_endo anti
+B16 : C C3p_endo anti
+B15 : U C3p_endo anti
+B14 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+B15-B16 : adjacent_3p downward 
+B16-B17 : adjacent_3p downward 
+B17-B18 : adjacent_3p downward 
+B19-B20 : adjacent_3p downward 
+B20-B21 : adjacent_3p downward 
+B22-B23 : adjacent_3p downward 
+B23-B24 : adjacent_3p downward 
+B24-B25 : adjacent_3p downward 
+B25-B26 : adjacent_3p downward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 21
+Number of adjacent stackings = 21
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A1-B14 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-B15 : A-U Ww/Ww pairing antiparallel cis XX 
+A3-B16 : G-C Ww/Ww pairing antiparallel cis XIX 
+A4-B17 : A-U Ww/Ww pairing antiparallel cis XX 
+A5-B18 : G-C Ww/Ww pairing antiparallel cis XIX 
+A6-B19 : G-C Ww/Ww pairing antiparallel cis XIX 
+A7-B20 : A-U Ww/Ww pairing antiparallel cis XX 
+A8-B21 : A-U Ww/Ww pairing antiparallel cis XX 
+A9-B22 : G-C Ww/Ww pairing antiparallel cis XIX 
+A10-B23 : A-U Ww/Ww pairing antiparallel cis XX 
+A11-B24 : G-C Ww/Ww pairing antiparallel cis XIX 
+A12-B25 : A-U Ww/Ww pairing antiparallel cis XX 
+A13-B26 : A-U Ww/Ww pairing antiparallel cis XX 
+Residue conformations -------------------------------------------
+A1 : G C2p_endo anti
+A2 : A C2p_endo syn
+A3 : G C2p_endo anti
+A4 : A C2p_endo anti
+A5 : G C2p_endo anti
+A6 : G C2p_endo anti
+A7 : A O4p_endo anti
+A8 : A C2p_endo anti
+A9 : G C2p_endo anti
+A10 : A C1p_exo anti
+A11 : G C2p_endo anti
+A12 : A C1p_exo syn
+A13 : A C2p_endo anti
+B26 : U C3p_endo anti
+B25 : U C3p_endo anti
+B24 : C C3p_endo anti
+B23 : U C3p_endo anti
+B22 : C C3p_endo anti
+B21 : U C3p_endo anti
+B20 : U C3p_endo anti
+B19 : C C3p_endo anti
+B18 : C C3p_endo anti
+B17 : U C3p_endo anti
+B16 : C C3p_endo anti
+B15 : U C3p_endo anti
+B14 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+B15-B16 : adjacent_3p downward 
+B16-B17 : adjacent_3p downward 
+B17-B18 : adjacent_3p downward 
+B18-B19 : adjacent_3p downward 
+B19-B20 : adjacent_3p downward 
+B20-B21 : adjacent_3p downward 
+B21-B22 : adjacent_3p downward 
+B22-B23 : adjacent_3p downward 
+B23-B24 : adjacent_3p downward 
+B24-B25 : adjacent_3p downward 
+B25-B26 : adjacent_3p downward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 23
+Number of adjacent stackings = 23
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A1-B14 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-B15 : A-U Ww/Ww pairing antiparallel cis XX 
+A3-B16 : G-C Ww/Ww pairing antiparallel cis XIX 
+A4-B17 : A-U Ww/Ww pairing antiparallel cis XX 
+A5-B18 : G-C Ww/Ww pairing antiparallel cis XIX 
+A6-B19 : G-C Ww/Ww pairing antiparallel cis XIX 
+A7-B20 : A-U Ww/Ww pairing antiparallel cis XX 
+A8-B21 : A-U Ww/Ww pairing antiparallel cis XX 
+A9-B22 : G-C Ww/Ww pairing antiparallel cis XIX 
+A10-B23 : A-U Ww/Ww pairing antiparallel cis XX 
+A11-B24 : G-C Ww/Ww pairing antiparallel cis XIX 
+A12-B25 : A-U Ww/Ww pairing antiparallel cis XX 
+A13-B26 : A-U Ww/Ww pairing antiparallel cis XX 
+Residue conformations -------------------------------------------
+A1 : G C2p_endo anti
+A2 : A C2p_endo syn
+A3 : G C2p_endo anti
+A4 : A C2p_endo anti
+A5 : G C2p_endo anti
+A6 : G C2p_endo anti
+A7 : A O4p_endo anti
+A8 : A C2p_endo anti
+A9 : G C2p_endo anti
+A10 : A C2p_endo anti
+A11 : G C1p_exo anti
+A12 : A C2p_endo syn
+A13 : A C3p_exo anti
+B26 : U C3p_endo anti
+B25 : U C3p_endo anti
+B24 : C C3p_endo anti
+B23 : U C3p_endo anti
+B22 : C C3p_endo anti
+B21 : U C3p_endo anti
+B20 : U C3p_endo anti
+B19 : C C3p_endo anti
+B18 : C C3p_endo anti
+B17 : U C3p_endo anti
+B16 : C C3p_endo anti
+B15 : U C3p_endo anti
+B14 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+B15-B16 : adjacent_3p downward 
+B16-B17 : adjacent_3p downward 
+B17-B18 : adjacent_3p downward 
+B18-B19 : adjacent_3p downward 
+B19-B20 : adjacent_3p downward 
+B20-B21 : adjacent_3p downward 
+B21-B22 : adjacent_3p downward 
+B22-B23 : adjacent_3p downward 
+B23-B24 : adjacent_3p downward 
+B24-B25 : adjacent_3p downward 
+B25-B26 : adjacent_3p downward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 22
+Number of adjacent stackings = 22
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A1-B14 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-B15 : A-U Ww/Ww pairing antiparallel cis XX 
+A3-B16 : G-C Ww/Ww pairing antiparallel cis XIX 
+A4-B17 : A-U Ww/Ww pairing antiparallel cis XX 
+A5-B18 : G-C Ww/Ww pairing antiparallel cis XIX 
+A6-B19 : G-C Ww/Ww pairing antiparallel cis XIX 
+A7-B20 : A-U Ww/Ww pairing antiparallel cis XX 
+A8-B21 : A-U Ww/Ww pairing antiparallel cis XX 
+A9-B22 : G-C Ww/Ww pairing antiparallel cis XIX 
+A10-B23 : A-U Ww/Ww pairing antiparallel cis XX 
+A11-B24 : G-C Ww/Ww pairing antiparallel cis XIX 
+A12-B25 : A-U Ww/Ww pairing antiparallel cis XX 
+A13-B26 : A-U Ww/Ww pairing antiparallel cis XX 
+Residue conformations -------------------------------------------
+A1 : G C2p_endo anti
+A2 : A C2p_endo anti
+A3 : G C2p_endo anti
+A4 : A C2p_endo anti
+A5 : G C2p_endo anti
+A6 : G C2p_endo anti
+A7 : A O4p_endo anti
+A8 : A C2p_endo anti
+A9 : G C2p_endo anti
+A10 : A C1p_exo anti
+A11 : G C2p_endo anti
+A12 : A C1p_exo anti
+A13 : A C3p_endo anti
+B26 : U C3p_endo anti
+B25 : U C3p_endo anti
+B24 : C C3p_endo anti
+B23 : U C3p_endo anti
+B22 : C C3p_endo anti
+B21 : U C3p_endo anti
+B20 : U C3p_endo anti
+B19 : C C3p_endo anti
+B18 : C C3p_endo anti
+B17 : U C3p_endo anti
+B16 : C C3p_endo anti
+B15 : U C3p_endo anti
+B14 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+B14-B15 : adjacent_3p downward 
+B15-B16 : adjacent_3p downward 
+B16-B17 : adjacent_3p downward 
+B17-B18 : adjacent_3p downward 
+B18-B19 : adjacent_3p downward 
+B19-B20 : adjacent_3p downward 
+B20-B21 : adjacent_3p downward 
+B21-B22 : adjacent_3p downward 
+B22-B23 : adjacent_3p downward 
+B23-B24 : adjacent_3p downward 
+B24-B25 : adjacent_3p downward 
+B25-B26 : adjacent_3p downward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 24
+Number of adjacent stackings = 24
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A1-B14 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-B15 : A-U Ww/Ww pairing antiparallel cis XX 
+A3-B16 : G-C Ww/Ww pairing antiparallel cis XIX 
+A4-B17 : A-U Ww/Ww pairing antiparallel cis XX 
+A5-B18 : G-C Ww/Ww pairing antiparallel cis XIX 
+A6-B19 : G-C Ww/Ww pairing antiparallel cis XIX 
+A7-B20 : A-U Ww/Ww pairing antiparallel cis XX 
+A8-B21 : A-U Ww/Ww pairing antiparallel cis XX 
+A9-B22 : G-C Ww/Ww pairing antiparallel cis XIX 
+A10-B23 : A-U Ww/Ww pairing antiparallel cis XX 
+A11-B24 : G-C Ww/Ww pairing antiparallel cis XIX 
+A12-B25 : A-U Ww/Ww pairing antiparallel cis XX 
+A13-B26 : A-U Ww/Ww pairing antiparallel cis XX 
+Residue conformations -------------------------------------------
+A1 : G C2p_endo anti
+A2 : A C2p_endo syn
+A3 : G C2p_endo anti
+A4 : A C2p_endo anti
+A5 : G C2p_endo anti
+A6 : G C2p_endo anti
+A7 : A O4p_endo anti
+A8 : A C2p_endo anti
+A9 : G C2p_endo anti
+A10 : A C2p_endo anti
+A11 : G C2p_endo anti
+A12 : A C2p_endo anti
+A13 : A C3p_endo anti
+B26 : U C3p_endo anti
+B25 : U C3p_endo anti
+B24 : C C3p_endo anti
+B23 : U C3p_endo anti
+B22 : C C3p_endo anti
+B21 : U C3p_endo anti
+B20 : U C3p_endo anti
+B19 : C C3p_endo anti
+B18 : C C3p_endo anti
+B17 : U C3p_endo anti
+B16 : C C3p_endo anti
+B15 : U C3p_endo anti
+B14 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+B15-B16 : adjacent_3p downward 
+B16-B17 : adjacent_3p downward 
+B17-B18 : adjacent_3p downward 
+B18-B19 : adjacent_3p downward 
+B19-B20 : adjacent_3p downward 
+B20-B21 : adjacent_3p downward 
+B21-B22 : adjacent_3p downward 
+B23-B24 : adjacent_3p downward 
+B24-B25 : adjacent_3p downward 
+B25-B26 : adjacent_3p downward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 22
+Number of adjacent stackings = 22
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A1-B14 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-B15 : A-U Ww/Ww pairing antiparallel cis XX 
+A3-B16 : G-C Ww/Ww pairing antiparallel cis XIX 
+A4-B17 : A-U Ww/Ww pairing antiparallel cis XX 
+A5-B18 : G-C Ww/Ww pairing antiparallel cis XIX 
+A6-B19 : G-C Ww/Ww pairing antiparallel cis XIX 
+A7-B20 : A-U Ww/Ww pairing antiparallel cis XX 
+A8-B21 : A-U Ww/Ww pairing antiparallel cis XX 
+A9-B22 : G-C Ww/Ww pairing antiparallel cis XIX 
+A10-B23 : A-U Ww/Ww pairing antiparallel cis XX 
+A11-B24 : G-C Ww/Ww pairing antiparallel cis XIX 
+A12-B25 : A-U Ww/Ww pairing antiparallel cis XX 
+A13-B26 : A-U Ww/Ww pairing antiparallel cis XX 
+Residue conformations -------------------------------------------
+A1 : G C2p_endo anti
+A2 : A C2p_endo anti
+A3 : G C2p_endo anti
+A4 : A C2p_endo anti
+A5 : G C2p_endo anti
+A6 : G C2p_endo anti
+A7 : A O4p_endo anti
+A8 : A C2p_endo anti
+A9 : G C2p_endo anti
+A10 : A C2p_endo anti
+A11 : G C2p_endo anti
+A12 : A C2p_endo anti
+A13 : A C2p_endo anti
+B26 : U C3p_endo anti
+B25 : U C3p_endo anti
+B24 : C C3p_endo anti
+B23 : U C3p_endo anti
+B22 : C C3p_endo anti
+B21 : U C3p_endo anti
+B20 : U C3p_endo anti
+B19 : C C3p_endo anti
+B18 : C C3p_endo anti
+B17 : U C3p_endo anti
+B16 : C C3p_endo anti
+B15 : U C3p_endo anti
+B14 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+B14-B15 : adjacent_3p downward 
+B15-B16 : adjacent_3p downward 
+B16-B17 : adjacent_3p downward 
+B17-B18 : adjacent_3p downward 
+B18-B19 : adjacent_3p downward 
+B19-B20 : adjacent_3p downward 
+B20-B21 : adjacent_3p downward 
+B21-B22 : adjacent_3p downward 
+B22-B23 : adjacent_3p downward 
+B23-B24 : adjacent_3p downward 
+B24-B25 : adjacent_3p downward 
+B25-B26 : adjacent_3p downward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 24
+Number of adjacent stackings = 24
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A1-B14 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-B15 : A-U Ww/Ww pairing antiparallel cis XX 
+A3-B16 : G-C Ww/Ww pairing antiparallel cis XIX 
+A4-B17 : A-U Ww/Ww pairing antiparallel cis XX 
+A5-B18 : G-C Ww/Ww pairing antiparallel cis XIX 
+A6-B19 : G-C Ww/Ww pairing antiparallel cis XIX 
+A7-B20 : A-U Ww/Ww pairing antiparallel cis XX 
+A8-B21 : A-U Ww/Ww pairing antiparallel cis XX 
+A9-B22 : G-C Ww/Ww pairing antiparallel cis XIX 
+A10-B23 : A-U Ww/Ww pairing antiparallel cis XX 
+A11-B24 : G-C Ww/Ww pairing antiparallel cis XIX 
+A12-B25 : A-U Ww/Ww pairing antiparallel cis XX 
+A13-B26 : A-U Ww/Ww pairing antiparallel cis XX 
+Residue conformations -------------------------------------------
+A1 : G C2p_endo anti
+A2 : A C2p_endo anti
+A3 : G C2p_endo anti
+A4 : A C2p_endo anti
+A5 : G C2p_endo anti
+A6 : G C2p_endo anti
+A7 : A O4p_endo anti
+A8 : A C2p_endo anti
+A9 : G C3p_exo syn
+A10 : A C2p_endo syn
+A11 : G C3p_exo anti
+A12 : A C2p_endo syn
+A13 : A C3p_exo anti
+B26 : U C3p_endo anti
+B25 : U C3p_endo anti
+B24 : C C3p_endo anti
+B23 : U C3p_endo anti
+B22 : C C3p_endo anti
+B21 : U C3p_endo anti
+B20 : U C3p_endo anti
+B19 : C C3p_endo anti
+B18 : C C3p_endo anti
+B17 : U C3p_endo anti
+B16 : C C3p_endo anti
+B15 : U C3p_endo anti
+B14 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+B15-B16 : adjacent_3p downward 
+B16-B17 : adjacent_3p downward 
+B17-B18 : adjacent_3p downward 
+B18-B19 : adjacent_3p downward 
+B19-B20 : adjacent_3p downward 
+B20-B21 : adjacent_3p downward 
+B22-B23 : adjacent_3p downward 
+B23-B24 : adjacent_3p downward 
+B24-B25 : adjacent_3p downward 
+B25-B26 : adjacent_3p downward 
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 21
+Number of adjacent stackings = 21
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
+A1-B14 : G-C Ww/Ww pairing antiparallel cis XIX 
+A2-B15 : A-U Ww/Ww pairing antiparallel cis XX 
+A3-B16 : G-C Ww/Ww pairing antiparallel cis XIX 
+A4-B17 : A-U Ww/Ww pairing antiparallel cis XX 
+A5-B18 : G-C Ww/Ww pairing antiparallel cis XIX 
+A6-B19 : G-C Ww/Ww pairing antiparallel cis XIX 
+A7-B20 : A-U Ww/Ww pairing antiparallel cis XX 
+A8-B21 : A-U Ww/Ww pairing antiparallel cis XX 
+A9-B22 : G-C Ww/Ww pairing antiparallel cis XIX 
+A10-B23 : A-U Ww/Ww pairing antiparallel cis XX 
+A11-B24 : G-C Ww/Ww pairing antiparallel cis XIX 
+A12-B25 : A-U Ww/Ww pairing antiparallel cis XX 
+A13-B26 : A-U Ww/Ww pairing antiparallel cis XX 
+Residue conformations -------------------------------------------
+A1 : G C2p_endo anti
+A2 : A C2p_endo anti
+A3 : G C2p_endo anti
+A4 : A C2p_endo syn
+A5 : G C2p_endo anti
+A6 : G C2p_endo anti
+A7 : A O4p_endo anti
+A8 : A C2p_endo anti
+A9 : G C3p_exo anti
+A10 : A C2p_endo syn
+A11 : G C2p_endo anti
+A12 : A C1p_exo anti
+A13 : A C2p_endo anti
+B26 : U C3p_endo anti
+B25 : U C3p_endo anti
+B24 : C C3p_endo anti
+B23 : U C3p_endo anti
+B22 : C C2p_exo anti
+B21 : U C3p_endo anti
+B20 : U C3p_endo anti
+B19 : C C3p_endo anti
+B18 : C C3p_endo anti
+B17 : U C3p_endo anti
+B16 : C C3p_endo anti
+B15 : U C3p_endo anti
+B14 : C C3p_endo anti
+Adjacent stackings ----------------------------------------------
+A1-A2 : adjacent_5p upward 
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+B14-B15 : adjacent_3p downward 
+B15-B16 : adjacent_3p downward 
+B16-B17 : adjacent_3p downward 
+B17-B18 : adjacent_3p downward 
+B18-B19 : adjacent_3p downward 
+B19-B20 : adjacent_3p downward 
+B20-B21 : adjacent_3p downward 
+B23-B24 : adjacent_3p downward 
+B25-B26 : adjacent_3p downward 
+Non-Adjacent stackings ------------------------------------------
+A4-B16 : outward 
+Number of stackings = 20
+Number of adjacent stackings = 19
+Number of non adjacent stackings = 1
+Base-pairs ------------------------------------------------------
+A2-B15 : A-U Ww/Ww pairing antiparallel cis XX 
+A3-B16 : G-C Ww/Ww pairing antiparallel cis XIX 
+A4-B17 : A-U Ww/Ww pairing antiparallel cis XX 
+A5-B18 : G-C Ww/Ww pairing antiparallel cis XIX 
+A6-B19 : G-C Ww/Ww pairing antiparallel cis 
+A7-B20 : A-U Ww/Ww pairing antiparallel cis XX 
+A8-B21 : A-U Ww/Ww pairing antiparallel cis XX 
+A9-B22 : G-C Wh/Wh pairing antiparallel cis one_hbond 
+A10-B22 : A-C Bs/Ws pairing antiparallel cis one_hbond 
+A10-B23 : A-U Ww/Ww pairing antiparallel cis XX 
+A11-B24 : G-C Ww/Ww pairing antiparallel cis XIX 
+A12-B25 : A-U Ww/Ww pairing antiparallel cis XX 
+A13-B26 : A-U Ww/Ww pairing antiparallel cis XX 
diff --git a/MCdata/1efw_MC b/MCdata/1efw_MC
new file mode 100644
index 0000000000000000000000000000000000000000..aea26de7d8510ec0b9c2008cef0efdabce95c860
--- /dev/null
+++ b/MCdata/1efw_MC
@@ -0,0 +1,1567 @@
+Residue conformations -------------------------------------------
+C1 : G C3p_endo anti
+C2 : G C3p_endo anti
+C3 : A C3p_endo anti
+C4 : G C3p_endo anti
+C5 : C C3p_endo anti
+C6 : G C3p_endo anti
+C7 : G C1p_exo anti
+C8 : 4SU
+C9 : A C2p_endo anti
+C10 : G C3p_endo anti
+C11 : U C3p_endo anti
+C12 : U C3p_endo anti
+C13 : C C3p_endo anti
+C14 : A C3p_endo anti
+C15 : G C3p_endo anti
+C16 : H2U
+C17 : C C3p_exo syn
+C18 : G C2p_endo anti
+C19 : G C2p_endo anti
+C20 : H2U
+C20.A : H2U
+C21 : A C3p_endo anti
+C22 : G C3p_endo anti
+C23 : A C3p_endo anti
+C24 : A C3p_endo anti
+C25 : U C3p_endo anti
+C26 : A C3p_endo anti
+C27 : C C3p_endo anti
+C28 : C C3p_endo anti
+C29 : U C3p_endo anti
+C30 : G C3p_endo anti
+C31 : C C3p_endo anti
+C32 : C C3p_endo anti
+C33 : U C2p_endo anti
+C34 : QUO
+C35 : U C3p_endo anti
+C36 : C C3p_endo anti
+C37 : 2MA
+C38 : C C3p_endo anti
+C39 : G C3p_endo anti
+C40 : C C3p_endo anti
+C41 : A C3p_endo anti
+C42 : G C3p_endo anti
+C43 : G C3p_endo anti
+C44 : G C3p_endo anti
+C45 : G C3p_endo anti
+C46 : G7M
+C47 : U C3p_endo anti
+C48 : C C3p_endo anti
+C49 : G C3p_endo anti
+C50 : C C3p_endo anti
+C51 : G C3p_endo anti
+C52 : G C3p_endo anti
+C53 : G C3p_endo anti
+C54 : 5MU
+C55 : PSU
+C56 : C C3p_endo anti
+C57 : G C3p_endo anti
+C58 : A C2p_endo syn
+C59 : G C3p_endo anti
+C60 : U C2p_endo anti
+C61 : C C3p_endo anti
+C62 : C C3p_endo anti
+C63 : C C3p_endo anti
+C64 : G C3p_endo anti
+C65 : PSU
+C66 : C C3p_endo anti
+C67 : C C3p_endo anti
+C68 : G C3p_endo anti
+C69 : U C3p_endo anti
+C70 : U C3p_endo anti
+C71 : C C3p_endo anti
+C72 : C C3p_endo anti
+D1 : G C3p_endo anti
+D2 : G C3p_endo anti
+D3 : A C3p_endo anti
+D4 : G C3p_endo anti
+D5 : C C3p_endo anti
+D6 : G C3p_endo anti
+D7 : G C2p_endo anti
+D8 : 4SU
+D9 : A C3p_exo anti
+D10 : G C3p_endo anti
+D11 : U C3p_endo anti
+D12 : U C3p_endo anti
+D13 : C C3p_endo anti
+D14 : A C3p_endo anti
+D15 : G C3p_endo anti
+D16 : H2U
+D17 : C C2p_endo syn
+D18 : G C2p_endo anti
+D19 : G C2p_endo syn
+D20 : H2U
+D20.A : H2U
+D21 : A C3p_endo anti
+D22 : G C3p_endo anti
+D23 : A C3p_endo anti
+D24 : A C3p_endo anti
+D25 : U C3p_endo anti
+D26 : A C3p_endo anti
+D27 : C C3p_endo anti
+D28 : C C3p_endo anti
+D29 : U C3p_endo anti
+D30 : G C3p_endo anti
+D31 : C C3p_endo anti
+D32 : C C3p_endo anti
+D33 : U C2p_endo anti
+D34 : QUO
+D35 : U C3p_endo anti
+D36 : C C3p_endo anti
+D37 : 2MA
+D38 : C C3p_endo anti
+D39 : G C3p_endo anti
+D40 : C C3p_endo anti
+D41 : A C3p_endo anti
+D42 : G C3p_endo anti
+D43 : G C3p_endo anti
+D44 : G C3p_endo anti
+D45 : G C3p_endo anti
+D46 : G7M
+D47 : U C3p_exo syn
+D48 : C C3p_endo anti
+D49 : G C3p_endo anti
+D50 : C C3p_endo anti
+D51 : G C3p_endo anti
+D52 : G C3p_endo anti
+D53 : G C3p_endo anti
+D54 : 5MU
+D55 : PSU
+D56 : C C3p_endo anti
+D57 : G C3p_endo anti
+D58 : A C2p_endo syn
+D59 : G C3p_endo anti
+D60 : U C2p_endo anti
+D61 : C C3p_endo anti
+D62 : C C3p_endo anti
+D63 : C C3p_endo anti
+D64 : G C3p_endo anti
+D65 : PSU
+D66 : C C3p_endo anti
+D67 : C C3p_endo anti
+D68 : G C4p_exo anti
+D69 : U C3p_endo anti
+D70 : U C3p_endo anti
+D71 : C C3p_endo anti
+D72 : C C3p_endo anti
+A1 : MET
+A2 : ARG
+A3 : ARG
+A4 : THR
+A5 : HIS
+A6 : TYR
+A7 : ALA
+A8 : GLY
+A9 : SER
+A10 : LEU
+A11 : ARG
+A12 : GLU
+A13 : THR
+A14 : HIS
+A15 : VAL
+A16 : GLY
+A17 : GLU
+A18 : GLU
+A19 : VAL
+A20 : VAL
+A21 : LEU
+A22 : GLU
+A23 : GLY
+A24 : TRP
+A25 : VAL
+A26 : ASN
+A27 : ARG
+A28 : ARG
+A29 : ARG
+A30 : ASP
+A31 : LEU
+A32 : GLY
+A33 : GLY
+A34 : LEU
+A35 : ILE
+A36 : PHE
+A37 : LEU
+A38 : ASP
+A39 : LEU
+A40 : ARG
+A41 : ASP
+A42 : ARG
+A43 : GLU
+A44 : GLY
+A45 : LEU
+A46 : VAL
+A47 : GLN
+A48 : LEU
+A49 : VAL
+A50 : ALA
+A51 : HIS
+A52 : PRO
+A53 : ALA
+A54 : SER
+A55 : PRO
+A56 : ALA
+A57 : TYR
+A58 : ALA
+A59 : THR
+A60 : ALA
+A61 : GLU
+A62 : ARG
+A63 : VAL
+A64 : ARG
+A65 : PRO
+A66 : GLU
+A67 : TRP
+A68 : VAL
+A69 : VAL
+A70 : ARG
+A71 : ALA
+A72 : LYS
+A73 : GLY
+A74 : LEU
+A75 : VAL
+A76 : ARG
+A77 : LEU
+A78 : ARG
+A79 : PRO
+A80 : GLU
+A81 : PRO
+A82 : ASN
+A83 : PRO
+A84 : ARG
+A85 : LEU
+A86 : ALA
+A87 : THR
+A88 : GLY
+A89 : ARG
+A90 : VAL
+A91 : GLU
+A92 : VAL
+A93 : GLU
+A94 : LEU
+A95 : SER
+A96 : ALA
+A97 : LEU
+A98 : GLU
+A99 : VAL
+A100 : LEU
+A101 : ALA
+A102 : GLU
+A103 : ALA
+A104 : LYS
+A105 : THR
+A106 : PRO
+A107 : PRO
+A108 : PHE
+A109 : PRO
+A110 : VAL
+A111 : ASP
+A112 : ALA
+A113 : GLY
+A114 : TRP
+A115 : ARG
+A116 : GLY
+A117 : GLU
+A118 : GLU
+A119 : GLU
+A120 : LYS
+A121 : GLU
+A122 : ALA
+A123 : SER
+A124 : GLU
+A125 : GLU
+A126 : LEU
+A127 : ARG
+A128 : LEU
+A129 : LYS
+A130 : TYR
+A131 : ARG
+A132 : TYR
+A133 : LEU
+A134 : ASP
+A135 : LEU
+A136 : ARG
+A137 : ARG
+A138 : ARG
+A139 : ARG
+A140 : MET
+A141 : GLN
+A142 : GLU
+A143 : ASN
+A144 : LEU
+A145 : ARG
+A146 : LEU
+A147 : ARG
+A148 : HIS
+A149 : ARG
+A150 : VAL
+A151 : ILE
+A152 : LYS
+A153 : ALA
+A154 : ILE
+A155 : TRP
+A156 : ASP
+A157 : PHE
+A158 : LEU
+A159 : ASP
+A160 : ARG
+A161 : GLU
+A162 : GLY
+A163 : PHE
+A164 : VAL
+A165 : GLN
+A166 : VAL
+A167 : GLU
+A168 : THR
+A169 : PRO
+A170 : PHE
+A171 : LEU
+A172 : THR
+A173 : LYS
+A174 : SER
+A175 : THR
+A176 : PRO
+A177 : GLU
+A178 : GLY
+A179 : ALA
+A180 : ARG
+A181 : ASP
+A182 : PHE
+A183 : LEU
+A184 : VAL
+A185 : PRO
+A186 : TYR
+A187 : ARG
+A188 : HIS
+A189 : GLU
+A190 : PRO
+A191 : GLY
+A192 : LEU
+A193 : PHE
+A194 : TYR
+A195 : ALA
+A196 : LEU
+A197 : PRO
+A198 : GLN
+A199 : SER
+A200 : PRO
+A201 : GLN
+A202 : LEU
+A203 : PHE
+A204 : LYS
+A205 : GLN
+A206 : MET
+A207 : LEU
+A208 : MET
+A209 : VAL
+A210 : ALA
+A211 : GLY
+A212 : LEU
+A213 : ASP
+A214 : ARG
+A215 : TYR
+A216 : PHE
+A217 : GLN
+A218 : ILE
+A219 : ALA
+A220 : ARG
+A221 : CYS
+A222 : PHE
+A223 : ARG
+A224 : ASP
+A225 : GLU
+A226 : ASP
+A227 : LEU
+A228 : ARG
+A229 : ALA
+A230 : ASP
+A231 : ARG
+A232 : GLN
+A233 : PRO
+A234 : ASP
+A235 : PHE
+A236 : THR
+A237 : GLN
+A238 : LEU
+A239 : ASP
+A240 : LEU
+A241 : GLU
+A242 : MET
+A243 : SER
+A244 : PHE
+A245 : VAL
+A246 : GLU
+A247 : VAL
+A248 : GLU
+A249 : ASP
+A250 : VAL
+A251 : LEU
+A252 : GLU
+A253 : LEU
+A254 : ASN
+A255 : GLU
+A256 : ARG
+A257 : LEU
+A258 : MET
+A259 : ALA
+A260 : HIS
+A261 : VAL
+A262 : PHE
+A263 : ARG
+A264 : GLU
+A265 : ALA
+A266 : LEU
+A267 : GLY
+A268 : VAL
+A269 : GLU
+A270 : LEU
+A271 : PRO
+A272 : LEU
+A273 : PRO
+A274 : PHE
+A275 : PRO
+A276 : ARG
+A277 : LEU
+A278 : SER
+A279 : TYR
+A280 : GLU
+A281 : GLU
+A282 : ALA
+A283 : MET
+A284 : GLU
+A285 : ARG
+A286 : TYR
+A287 : GLY
+A288 : SER
+A289 : ASP
+A290 : LYS
+A291 : PRO
+A292 : ASP
+A293 : LEU
+A294 : ARG
+A295 : PHE
+A296 : GLY
+A297 : LEU
+A298 : GLU
+A299 : LEU
+A300 : LYS
+A301 : GLU
+A302 : VAL
+A303 : GLY
+A304 : PRO
+A305 : LEU
+A306 : PHE
+A307 : ARG
+A308 : GLN
+A309 : SER
+A310 : GLY
+A311 : PHE
+A312 : ARG
+A313 : VAL
+A314 : PHE
+A315 : GLN
+A316 : GLU
+A317 : ALA
+A318 : GLU
+A319 : SER
+A320 : VAL
+A321 : LYS
+A322 : ALA
+A323 : LEU
+A324 : ALA
+A325 : LEU
+A326 : PRO
+A327 : LYS
+A328 : ALA
+A329 : LEU
+A330 : SER
+A331 : ARG
+A332 : LYS
+A333 : GLU
+A334 : VAL
+A335 : ALA
+A336 : GLU
+A337 : LEU
+A338 : GLU
+A339 : GLU
+A340 : VAL
+A341 : ALA
+A342 : LYS
+A343 : ARG
+A344 : HIS
+A345 : LYS
+A346 : ALA
+A347 : GLN
+A348 : GLY
+A349 : LEU
+A350 : ALA
+A351 : TRP
+A352 : ALA
+A353 : ARG
+A354 : VAL
+A355 : GLU
+A356 : GLU
+A357 : GLY
+A358 : GLY
+A359 : PHE
+A360 : SER
+A361 : GLY
+A362 : GLY
+A363 : VAL
+A364 : ALA
+A365 : LYS
+A366 : PHE
+A367 : LEU
+A368 : GLU
+A369 : PRO
+A370 : VAL
+A371 : ARG
+A372 : GLU
+A373 : ALA
+A374 : LEU
+A375 : LEU
+A376 : GLN
+A377 : ALA
+A378 : THR
+A379 : GLU
+A380 : ALA
+A381 : ARG
+A382 : PRO
+A383 : GLY
+A384 : ASP
+A385 : THR
+A386 : LEU
+A387 : LEU
+A388 : PHE
+A389 : VAL
+A390 : ALA
+A391 : GLY
+A392 : PRO
+A393 : ARG
+A394 : LYS
+A395 : VAL
+A396 : ALA
+A397 : ALA
+A398 : THR
+A399 : ALA
+A400 : LEU
+A401 : GLY
+A402 : ALA
+A403 : VAL
+A404 : ARG
+A405 : LEU
+A406 : ARG
+A407 : ALA
+A408 : ALA
+A409 : ASP
+A410 : LEU
+A411 : LEU
+A412 : GLY
+A413 : LEU
+A414 : LYS
+A415 : ARG
+A416 : GLU
+A417 : GLY
+A418 : PHE
+A419 : ARG
+A420 : PHE
+A421 : LEU
+A422 : TRP
+A423 : VAL
+A424 : VAL
+A425 : ASP
+A426 : PHE
+A427 : PRO
+A428 : LEU
+A429 : LEU
+A430 : GLU
+A431 : TRP
+A432 : ASP
+A433 : GLU
+A434 : GLU
+A435 : GLU
+A436 : GLU
+A437 : ALA
+A438 : TRP
+A439 : THR
+A440 : TYR
+A441 : MET
+A442 : HIS
+A443 : HIS
+A444 : PRO
+A445 : PHE
+A446 : THR
+A447 : SER
+A448 : PRO
+A449 : HIS
+A450 : PRO
+A451 : GLU
+A452 : ASP
+A453 : LEU
+A454 : PRO
+A455 : LEU
+A456 : LEU
+A457 : GLU
+A458 : LYS
+A459 : ASP
+A460 : PRO
+A461 : GLY
+A462 : ARG
+A463 : VAL
+A464 : ARG
+A465 : ALA
+A466 : LEU
+A467 : ALA
+A468 : TYR
+A469 : ASP
+A470 : LEU
+A471 : VAL
+A472 : LEU
+A473 : ASN
+A474 : GLY
+A475 : VAL
+A476 : GLU
+A477 : VAL
+A478 : GLY
+A479 : GLY
+A480 : GLY
+A481 : SER
+A482 : ILE
+A483 : ARG
+A484 : ILE
+A485 : HIS
+A486 : ASP
+A487 : PRO
+A488 : ARG
+A489 : LEU
+A490 : GLN
+A491 : ALA
+A492 : ARG
+A493 : VAL
+A494 : PHE
+A495 : ARG
+A496 : LEU
+A497 : LEU
+A498 : GLY
+A499 : ILE
+A500 : GLY
+A501 : GLU
+A502 : GLU
+A503 : GLU
+A504 : GLN
+A505 : ARG
+A506 : GLU
+A507 : LYS
+A508 : PHE
+A509 : GLY
+A510 : PHE
+A511 : PHE
+A512 : LEU
+A513 : GLU
+A514 : ALA
+A515 : LEU
+A516 : GLU
+A517 : TYR
+A518 : GLY
+A519 : ALA
+A520 : PRO
+A521 : PRO
+A522 : HIS
+A523 : GLY
+A524 : GLY
+A525 : ILE
+A526 : ALA
+A527 : TRP
+A528 : GLY
+A529 : LEU
+A530 : ASP
+A531 : ARG
+A532 : LEU
+A533 : LEU
+A534 : ALA
+A535 : LEU
+A536 : MET
+A537 : THR
+A538 : GLY
+A539 : SER
+A540 : PRO
+A541 : SER
+A542 : ILE
+A543 : ARG
+A544 : GLU
+A545 : VAL
+A546 : ILE
+A547 : ALA
+A548 : PHE
+A549 : PRO
+A550 : LYS
+A551 : ASN
+A552 : LYS
+A553 : GLU
+A554 : GLY
+A555 : LYS
+A556 : ASP
+A557 : PRO
+A558 : LEU
+A559 : THR
+A560 : GLY
+A561 : ALA
+A562 : PRO
+A563 : SER
+A564 : PRO
+A565 : VAL
+A566 : PRO
+A567 : GLU
+A568 : GLU
+A569 : GLN
+A570 : LEU
+A571 : ARG
+A572 : GLU
+A573 : LEU
+A574 : GLY
+A575 : LEU
+A576 : MET
+A577 : VAL
+A578 : VAL
+A579 : ARG
+A580 : PRO
+B1 : MET
+B2 : ARG
+B3 : ARG
+B4 : THR
+B5 : HIS
+B6 : TYR
+B7 : ALA
+B8 : GLY
+B9 : SER
+B10 : LEU
+B11 : ARG
+B12 : GLU
+B13 : THR
+B14 : HIS
+B15 : VAL
+B16 : GLY
+B17 : GLU
+B18 : GLU
+B19 : VAL
+B20 : VAL
+B21 : LEU
+B22 : GLU
+B23 : GLY
+B24 : TRP
+B25 : VAL
+B26 : ASN
+B27 : ARG
+B28 : ARG
+B29 : ARG
+B30 : ASP
+B31 : LEU
+B32 : GLY
+B33 : GLY
+B34 : LEU
+B35 : ILE
+B36 : PHE
+B37 : LEU
+B38 : ASP
+B39 : LEU
+B40 : ARG
+B41 : ASP
+B42 : ARG
+B43 : GLU
+B44 : GLY
+B45 : LEU
+B46 : VAL
+B47 : GLN
+B48 : LEU
+B49 : VAL
+B50 : ALA
+B51 : HIS
+B52 : PRO
+B53 : ALA
+B54 : SER
+B55 : PRO
+B56 : ALA
+B57 : TYR
+B58 : ALA
+B59 : THR
+B60 : ALA
+B61 : GLU
+B62 : ARG
+B63 : VAL
+B64 : ARG
+B65 : PRO
+B66 : GLU
+B67 : TRP
+B68 : VAL
+B69 : VAL
+B70 : ARG
+B71 : ALA
+B72 : LYS
+B73 : GLY
+B74 : LEU
+B75 : VAL
+B76 : ARG
+B77 : LEU
+B78 : ARG
+B79 : PRO
+B80 : GLU
+B81 : PRO
+B82 : ASN
+B83 : PRO
+B84 : ARG
+B85 : LEU
+B86 : ALA
+B87 : THR
+B88 : GLY
+B89 : ARG
+B90 : VAL
+B91 : GLU
+B92 : VAL
+B93 : GLU
+B94 : LEU
+B95 : SER
+B96 : ALA
+B97 : LEU
+B98 : GLU
+B99 : VAL
+B100 : LEU
+B101 : ALA
+B102 : GLU
+B103 : ALA
+B104 : LYS
+B105 : THR
+B106 : PRO
+B107 : PRO
+B108 : PHE
+B109 : PRO
+B110 : VAL
+B111 : ASP
+B112 : ALA
+B113 : GLY
+B114 : TRP
+B115 : ARG
+B116 : GLY
+B117 : GLU
+B118 : GLU
+B119 : GLU
+B120 : LYS
+B121 : GLU
+B122 : ALA
+B123 : SER
+B124 : GLU
+B125 : GLU
+B126 : LEU
+B127 : ARG
+B128 : LEU
+B129 : LYS
+B130 : TYR
+B131 : ARG
+B132 : TYR
+B133 : LEU
+B134 : ASP
+B135 : LEU
+B136 : ARG
+B137 : ARG
+B138 : ARG
+B139 : ARG
+B140 : MET
+B141 : GLN
+B142 : GLU
+B143 : ASN
+B144 : LEU
+B145 : ARG
+B146 : LEU
+B147 : ARG
+B148 : HIS
+B149 : ARG
+B150 : VAL
+B151 : ILE
+B152 : LYS
+B153 : ALA
+B154 : ILE
+B155 : TRP
+B156 : ASP
+B157 : PHE
+B158 : LEU
+B159 : ASP
+B160 : ARG
+B161 : GLU
+B162 : GLY
+B163 : PHE
+B164 : VAL
+B165 : GLN
+B166 : VAL
+B167 : GLU
+B168 : THR
+B169 : PRO
+B170 : PHE
+B171 : LEU
+B172 : THR
+B173 : LYS
+B174 : SER
+B175 : THR
+B176 : PRO
+B177 : GLU
+B178 : GLY
+B179 : ALA
+B180 : ARG
+B181 : ASP
+B182 : PHE
+B183 : LEU
+B184 : VAL
+B185 : PRO
+B186 : TYR
+B187 : ARG
+B188 : HIS
+B189 : GLU
+B190 : PRO
+B191 : GLY
+B192 : LEU
+B193 : PHE
+B194 : TYR
+B195 : ALA
+B196 : LEU
+B197 : PRO
+B198 : GLN
+B199 : SER
+B200 : PRO
+B201 : GLN
+B202 : LEU
+B203 : PHE
+B204 : LYS
+B205 : GLN
+B206 : MET
+B207 : LEU
+B208 : MET
+B209 : VAL
+B210 : ALA
+B211 : GLY
+B212 : LEU
+B213 : ASP
+B214 : ARG
+B215 : TYR
+B216 : PHE
+B217 : GLN
+B218 : ILE
+B219 : ALA
+B220 : ARG
+B221 : CYS
+B222 : PHE
+B223 : ARG
+B224 : ASP
+B225 : GLU
+B226 : ASP
+B227 : LEU
+B228 : ARG
+B229 : ALA
+B230 : ASP
+B231 : ARG
+B232 : GLN
+B233 : PRO
+B234 : ASP
+B235 : PHE
+B236 : THR
+B237 : GLN
+B238 : LEU
+B239 : ASP
+B240 : LEU
+B241 : GLU
+B242 : MET
+B243 : SER
+B244 : PHE
+B245 : VAL
+B246 : GLU
+B247 : VAL
+B248 : GLU
+B249 : ASP
+B250 : VAL
+B251 : LEU
+B252 : GLU
+B253 : LEU
+B254 : ASN
+B255 : GLU
+B256 : ARG
+B257 : LEU
+B258 : MET
+B259 : ALA
+B260 : HIS
+B261 : VAL
+B262 : PHE
+B263 : ARG
+B264 : GLU
+B265 : ALA
+B266 : LEU
+B267 : GLY
+B268 : VAL
+B269 : GLU
+B270 : LEU
+B271 : PRO
+B272 : LEU
+B273 : PRO
+B274 : PHE
+B275 : PRO
+B276 : ARG
+B277 : LEU
+B278 : SER
+B279 : TYR
+B280 : GLU
+B281 : GLU
+B282 : ALA
+B283 : MET
+B284 : GLU
+B285 : ARG
+B286 : TYR
+B287 : GLY
+B288 : SER
+B289 : ASP
+B290 : LYS
+B291 : PRO
+B292 : ASP
+B293 : LEU
+B294 : ARG
+B295 : PHE
+B296 : GLY
+B297 : LEU
+B298 : GLU
+B299 : LEU
+B300 : LYS
+B301 : GLU
+B302 : VAL
+B303 : GLY
+B304 : PRO
+B305 : LEU
+B306 : PHE
+B307 : ARG
+B308 : GLN
+B309 : SER
+B310 : GLY
+B311 : PHE
+B312 : ARG
+B313 : VAL
+B314 : PHE
+B315 : GLN
+B316 : GLU
+B317 : ALA
+B318 : GLU
+B319 : SER
+B320 : VAL
+B321 : LYS
+B322 : ALA
+B323 : LEU
+B324 : ALA
+B325 : LEU
+B326 : PRO
+B327 : LYS
+B328 : ALA
+B329 : LEU
+B330 : SER
+B331 : ARG
+B332 : LYS
+B333 : GLU
+B334 : VAL
+B335 : ALA
+B336 : GLU
+B337 : LEU
+B338 : GLU
+B339 : GLU
+B340 : VAL
+B341 : ALA
+B342 : LYS
+B343 : ARG
+B344 : HIS
+B345 : LYS
+B346 : ALA
+B347 : GLN
+B348 : GLY
+B349 : LEU
+B350 : ALA
+B351 : TRP
+B352 : ALA
+B353 : ARG
+B354 : VAL
+B355 : GLU
+B356 : GLU
+B357 : GLY
+B358 : GLY
+B359 : PHE
+B360 : SER
+B361 : GLY
+B362 : GLY
+B363 : VAL
+B364 : ALA
+B365 : LYS
+B366 : PHE
+B367 : LEU
+B368 : GLU
+B369 : PRO
+B370 : VAL
+B371 : ARG
+B372 : GLU
+B373 : ALA
+B374 : LEU
+B375 : LEU
+B376 : GLN
+B377 : ALA
+B378 : THR
+B379 : GLU
+B380 : ALA
+B381 : ARG
+B382 : PRO
+B383 : GLY
+B384 : ASP
+B385 : THR
+B386 : LEU
+B387 : LEU
+B388 : PHE
+B389 : VAL
+B390 : ALA
+B391 : GLY
+B392 : PRO
+B393 : ARG
+B394 : LYS
+B395 : VAL
+B396 : ALA
+B397 : ALA
+B398 : THR
+B399 : ALA
+B400 : LEU
+B401 : GLY
+B402 : ALA
+B403 : VAL
+B404 : ARG
+B405 : LEU
+B406 : ARG
+B407 : ALA
+B408 : ALA
+B409 : ASP
+B410 : LEU
+B411 : LEU
+B412 : GLY
+B413 : LEU
+B414 : LYS
+B415 : ARG
+B416 : GLU
+B417 : GLY
+B418 : PHE
+B419 : ARG
+B420 : PHE
+B421 : LEU
+B422 : TRP
+B423 : VAL
+B424 : VAL
+B425 : ASP
+B426 : PHE
+B427 : PRO
+B428 : LEU
+B429 : LEU
+B430 : GLU
+B431 : TRP
+B432 : ASP
+B433 : GLU
+B434 : GLU
+B435 : GLU
+B436 : GLU
+B437 : ALA
+B438 : TRP
+B439 : THR
+B440 : TYR
+B441 : MET
+B442 : HIS
+B443 : HIS
+B444 : PRO
+B445 : PHE
+B446 : THR
+B447 : SER
+B448 : PRO
+B449 : HIS
+B450 : PRO
+B451 : GLU
+B452 : ASP
+B453 : LEU
+B454 : PRO
+B455 : LEU
+B456 : LEU
+B457 : GLU
+B458 : LYS
+B459 : ASP
+B460 : PRO
+B461 : GLY
+B462 : ARG
+B463 : VAL
+B464 : ARG
+B465 : ALA
+B466 : LEU
+B467 : ALA
+B468 : TYR
+B469 : ASP
+B470 : LEU
+B471 : VAL
+B472 : LEU
+B473 : ASN
+B474 : GLY
+B475 : VAL
+B476 : GLU
+B477 : VAL
+B478 : GLY
+B479 : GLY
+B480 : GLY
+B481 : SER
+B482 : ILE
+B483 : ARG
+B484 : ILE
+B485 : HIS
+B486 : ASP
+B487 : PRO
+B488 : ARG
+B489 : LEU
+B490 : GLN
+B491 : ALA
+B492 : ARG
+B493 : VAL
+B494 : PHE
+B495 : ARG
+B496 : LEU
+B497 : LEU
+B498 : GLY
+B499 : ILE
+B500 : GLY
+B501 : GLU
+B502 : GLU
+B503 : GLU
+B504 : GLN
+B505 : ARG
+B506 : GLU
+B507 : LYS
+B508 : PHE
+B509 : GLY
+B510 : PHE
+B511 : PHE
+B512 : LEU
+B513 : GLU
+B514 : ALA
+B515 : LEU
+B516 : GLU
+B517 : TYR
+B518 : GLY
+B519 : ALA
+B520 : PRO
+B521 : PRO
+B522 : HIS
+B523 : GLY
+B524 : GLY
+B525 : ILE
+B526 : ALA
+B527 : TRP
+B528 : GLY
+B529 : LEU
+B530 : ASP
+B531 : ARG
+B532 : LEU
+B533 : LEU
+B534 : ALA
+B535 : LEU
+B536 : MET
+B537 : THR
+B538 : GLY
+B539 : SER
+B540 : PRO
+B541 : SER
+B542 : ILE
+B543 : ARG
+B544 : GLU
+B545 : VAL
+B546 : ILE
+B547 : ALA
+B548 : PHE
+B549 : PRO
+B550 : LYS
+B551 : ASN
+B552 : LYS
+B553 : GLU
+B554 : GLY
+B555 : LYS
+B556 : ASP
+B557 : PRO
+B558 : LEU
+B559 : THR
+B560 : GLY
+B561 : ALA
+B562 : PRO
+B563 : SER
+B564 : PRO
+B565 : VAL
+B566 : PRO
+B567 : GLU
+B568 : GLU
+B569 : GLN
+B570 : LEU
+B571 : ARG
+B572 : GLU
+B573 : LEU
+B574 : GLY
+B575 : LEU
+B576 : MET
+B577 : VAL
+B578 : VAL
+B579 : ARG
+B580 : PRO
+C2011 : HOH
+C2020 : HOH
+C2033 : HOH
+C2034 : HOH
+C2038 : HOH
+C2044 : HOH
+C2046 : HOH
+C2049 : HOH
+C2060 : HOH
+C2069 : HOH
+C2076 : HOH
+C2078 : HOH
+D2005 : HOH
+D2008 : HOH
+D2021 : HOH
+D2027 : HOH
+D2047 : HOH
+D2051 : HOH
+D2067 : HOH
+D2080 : HOH
+D2088 : HOH
+D2091 : HOH
+A2003 : HOH
+A2004 : HOH
+A2010 : HOH
+A2012 : HOH
+A2013 : HOH
+A2014 : HOH
+A2015 : HOH
+A2016 : HOH
+A2017 : HOH
+A2018 : HOH
+A2019 : HOH
+A2022 : HOH
+A2024 : HOH
+A2025 : HOH
+A2026 : HOH
+A2031 : HOH
+A2032 : HOH
+A2035 : HOH
+A2036 : HOH
+A2040 : HOH
+A2041 : HOH
+A2042 : HOH
+A2048 : HOH
+A2052 : HOH
+A2054 : HOH
+A2057 : HOH
+A2058 : HOH
+A2061 : HOH
+A2062 : HOH
+A2063 : HOH
+A2064 : HOH
+A2065 : HOH
+A2072 : HOH
+A2073 : HOH
+A2074 : HOH
+A2075 : HOH
+A2079 : HOH
+A2082 : HOH
+A2083 : HOH
+A2087 : HOH
+A2089 : HOH
+A2093 : HOH
+A2096 : HOH
+B2001 : HOH
+B2002 : HOH
+B2006 : HOH
+B2007 : HOH
+B2009 : HOH
+B2023 : HOH
+B2028 : HOH
+B2029 : HOH
+B2030 : HOH
+B2037 : HOH
+B2039 : HOH
+B2043 : HOH
+B2045 : HOH
+B2050 : HOH
+B2053 : HOH
+B2055 : HOH
+B2056 : HOH
+B2059 : HOH
+B2066 : HOH
+B2068 : HOH
+B2070 : HOH
+B2071 : HOH
+B2077 : HOH
+B2081 : HOH
+B2084 : HOH
+B2085 : HOH
+B2086 : HOH
+B2090 : HOH
+B2092 : HOH
+B2094 : HOH
+B2095 : HOH
+Adjacent stackings ----------------------------------------------
+C1-C2 : adjacent_5p upward 
+C2-C3 : adjacent_5p upward 
+C3-C4 : adjacent_5p upward 
+C4-C5 : adjacent_5p upward 
+C5-C6 : adjacent_5p upward 
+C6-C7 : adjacent_5p upward 
+C10-C11 : adjacent_5p upward 
+C12-C13 : adjacent_5p upward 
+C14-C15 : adjacent_5p upward 
+C22-C23 : adjacent_5p upward 
+C23-C24 : adjacent_5p upward 
+C24-C25 : adjacent_5p upward 
+C25-C26 : adjacent_5p upward 
+C26-C27 : adjacent_5p upward 
+C27-C28 : adjacent_5p upward 
+C30-C31 : adjacent_5p upward 
+C31-C32 : adjacent_5p upward 
+C35-C36 : adjacent_5p upward 
+C38-C39 : adjacent_5p upward 
+C39-C40 : adjacent_5p upward 
+C41-C42 : adjacent_5p upward 
+C42-C43 : adjacent_5p upward 
+C43-C44 : adjacent_5p upward 
+C44-C45 : adjacent_5p upward 
+C49-C50 : adjacent_5p upward 
+C51-C52 : adjacent_5p upward 
+C52-C53 : adjacent_5p upward 
+C56-C57 : adjacent_5p upward 
+C59-C60 : adjacent_5p upward 
+C62-C63 : adjacent_5p upward 
+C66-C67 : adjacent_5p upward 
+C68-C69 : adjacent_5p upward 
+C71-C72 : adjacent_5p upward 
+D1-D2 : adjacent_5p upward 
+D2-D3 : adjacent_5p upward 
+D3-D4 : adjacent_5p upward 
+D4-D5 : adjacent_5p upward 
+D6-D7 : adjacent_5p upward 
+D10-D11 : adjacent_5p upward 
+D11-D12 : adjacent_5p upward 
+D12-D13 : adjacent_5p upward 
+D14-D15 : adjacent_5p upward 
+D22-D23 : adjacent_5p upward 
+D23-D24 : adjacent_5p upward 
+D24-D25 : adjacent_5p upward 
+D25-D26 : adjacent_5p upward 
+D26-D27 : adjacent_5p upward 
+D27-D28 : adjacent_5p upward 
+D30-D31 : adjacent_5p upward 
+D31-D32 : adjacent_5p upward 
+D35-D36 : adjacent_5p upward 
+D38-D39 : adjacent_5p upward 
+D39-D40 : adjacent_5p upward 
+D40-D41 : adjacent_5p upward 
+D41-D42 : adjacent_5p upward 
+D42-D43 : adjacent_5p upward 
+D43-D44 : adjacent_5p upward 
+D44-D45 : adjacent_5p upward 
+D49-D50 : adjacent_5p upward 
+D51-D52 : adjacent_5p upward 
+D52-D53 : adjacent_5p upward 
+D56-D57 : adjacent_5p upward 
+D59-D60 : adjacent_5p upward 
+D62-D63 : adjacent_5p upward 
+D63-D64 : adjacent_5p upward 
+D66-D67 : adjacent_5p upward 
+D68-D69 : adjacent_5p upward 
+D69-D70 : adjacent_5p upward 
+D71-D72 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+C6-C68 : outward 
+C7-C49 : upward 
+C9-C45 : inward pairing 
+C14-C22 : outward 
+C15-C59 : upward 
+C18-C57 : inward pairing 
+C18-C58 : outward 
+C19-C57 : outward 
+C21-C48 : outward 
+C30-C41 : outward 
+C51-C64 : outward 
+C53-C62 : outward 
+C58-C61 : upward 
+D6-D68 : outward 
+D7-D49 : upward 
+D9-D45 : inward pairing 
+D14-D22 : outward 
+D15-D59 : upward 
+D18-D57 : inward pairing 
+D18-D58 : outward 
+D19-D57 : outward 
+D21-D48 : outward 
+D30-D41 : outward 
+D51-D64 : outward 
+D58-D61 : upward 
+Number of stackings = 94
+Number of adjacent stackings = 69
+Number of non adjacent stackings = 25
+Base-pairs ------------------------------------------------------
+C2-C71 : G-C Ws/Ww pairing antiparallel cis one_hbond 
+C3-C70 : A-U Ww/Ww pairing antiparallel cis XX 
+C4-C69 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+C5-C68 : C-G Ww/Ww pairing antiparallel cis 130 
+C6-C67 : G-C Ww/Ww pairing antiparallel cis XIX 
+C7-C66 : G-C Ww/Ww pairing antiparallel cis XIX 
+C9-C10 : A-G O2'/Hh adjacent_5p pairing 
+C9-C23 : A-A Hh/Hh pairing parallel trans II 
+C9-C45 : A-G O2'/Bs inward pairing 
+C10-C25 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+C10-C45 : G-G Hh/Bs pairing parallel cis 33 
+C11-C24 : U-A Ws/Ww pairing antiparallel cis 
+C12-C23 : U-A Ww/Ww pairing antiparallel cis XX 
+C13-C22 : C-G Ww/Ww pairing antiparallel cis one_hbond 130 
+C14-C21 : A-A Wh/Ss pairing antiparallel cis one_hbond 40 
+C15-C48 : G-C Ww/Ww pairing parallel trans XXII 
+C18-C57 : G-G O2'/Ww O2'/Bs inward pairing 
+C19-C56 : G-C Ww/Ww pairing antiparallel cis XIX 
+C21-C22 : A-G O2'/Hh O2'/C8 adjacent_5p pairing 
+C26-C44 : A-G Ww/Ww pairing antiparallel cis one_hbond 
+C27-C43 : C-G Ww/Ww pairing antiparallel cis XIX 
+C28-C42 : C-G Ww/Ww pairing antiparallel cis XIX 
+C29-C41 : U-A Ww/Ww pairing antiparallel cis XX 
+C30-C40 : G-C Ww/Ww pairing antiparallel cis XIX 
+C31-C39 : C-G Ww/Ww pairing antiparallel cis XIX 
+C32-C38 : C-C Ww/Wh pairing antiparallel cis one_hbond 137 
+C50-C64 : C-G Ww/Ww pairing antiparallel cis XIX 
+C51-C63 : G-C Ww/Ww pairing antiparallel cis XIX 
+C52-C62 : G-C Ww/Ww pairing antiparallel cis XIX 
+C53-C61 : G-C Ww/Ww pairing antiparallel cis XIX 
+C60-C61 : U-C O2P/Bh adjacent_5p pairing 
+D1-D72 : G-C Ww/Ws pairing antiparallel cis one_hbond 130 
+D2-D71 : G-C Ws/Ww pairing antiparallel cis one_hbond 
+D3-D70 : A-U Ww/Ws pairing antiparallel cis 
+D4-D69 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+D5-D68 : C-G Ww/Ww pairing antiparallel cis XIX 
+D6-D67 : G-C Ww/Ww pairing antiparallel cis 
+D7-D66 : G-C Ww/Ww pairing antiparallel cis XIX 
+D9-D10 : A-G O2'/Hh adjacent_5p pairing 
+D9-D13 : A-C O2P/Bh pairing 
+D9-D23 : A-A Hh/Hh pairing parallel trans II 
+D9-D45 : A-G O2'/Bs inward pairing 
+D10-D25 : G-U Ww/Ws pairing antiparallel cis XXVIII 
+D10-D45 : G-G Hh/Sw pairing parallel cis one_hbond 109 
+D11-D24 : U-A Ww/Ww pairing antiparallel cis XX 
+D12-D23 : U-A Ww/Ww pairing antiparallel cis XX 
+D13-D22 : C-G Ww/Ww pairing antiparallel cis XIX 
+D14-D21 : A-A Wh/Ss Ww/O2' pairing antiparallel cis one_hbond 40 
+D15-D48 : G-C Ww/Ww pairing parallel trans XXII 
+D18-D57 : G-G O2'/Bs inward pairing 
+D19-D56 : G-C Ww/Ww pairing antiparallel cis XIX 
+D21-D22 : A-G O2'/C8 adjacent_5p pairing 
+D26-D44 : A-G Ww/Ww pairing antiparallel cis VIII 
+D27-D43 : C-G Ww/Ww pairing antiparallel cis XIX 
+D28-D42 : C-G Ww/Ww pairing antiparallel cis XIX 
+D29-D41 : U-A Ww/Ww pairing antiparallel cis XX 
+D30-D40 : G-C Ww/Ww pairing antiparallel cis XIX 
+D31-D39 : C-G Ww/Ww pairing antiparallel cis XIX 
+D32-D38 : C-C Ws/Wh pairing antiparallel cis one_hbond 137 
+D50-D64 : C-G Ww/Ww pairing antiparallel cis XIX 
+D51-D63 : G-C Ww/Ww pairing antiparallel cis XIX 
+D52-D62 : G-C Ww/Ww pairing antiparallel cis XIX 
+D53-D61 : G-C Ww/Ww pairing antiparallel cis XIX 
+D60-D61 : U-C O2P/Bh O2P/Bh adjacent_5p pairing 
diff --git a/MCdata/1eg0_MC b/MCdata/1eg0_MC
new file mode 100644
index 0000000000000000000000000000000000000000..61628d28b61bed6530ef6727cbc228233a87b897
--- /dev/null
+++ b/MCdata/1eg0_MC
@@ -0,0 +1,1665 @@
+Residue conformations -------------------------------------------
+I1 : N
+I2 : N
+I3 : N
+I4 : N
+I5 : N
+I6 : N
+I7 : N
+I8 : N
+I9 : N
+I10 : N
+I11 : N
+I12 : N
+I13 : N
+I14 : N
+I15 : N
+I16 : N
+I17 : N
+I18 : N
+I19 : N
+I20 : N
+I21 : N
+I22 : N
+I23 : N
+I24 : N
+I25 : N
+I26 : N
+I27 : N
+I28 : N
+I29 : N
+I30 : N
+I31 : N
+I32 : N
+I33 : N
+L1 : C unknown unknown
+L2 : U unknown unknown
+L3 : G unknown unknown
+L4 : G unknown unknown
+L5 : G unknown unknown
+L6 : A unknown unknown
+L7 : U unknown unknown
+L8 : G unknown unknown
+L9 : U unknown unknown
+L10 : U unknown unknown
+L11 : G unknown unknown
+L12 : G unknown unknown
+L13 : C unknown unknown
+L14 : U unknown unknown
+L15 : U unknown unknown
+L16 : A unknown unknown
+L17 : G unknown unknown
+L18 : A unknown unknown
+L19 : A unknown unknown
+L20 : G unknown unknown
+L21 : C unknown unknown
+L22 : A unknown unknown
+L23 : G unknown unknown
+L24 : C unknown unknown
+L25 : C unknown unknown
+L26 : A unknown unknown
+L27 : U unknown unknown
+L28 : C unknown unknown
+L29 : A unknown unknown
+L30 : U unknown unknown
+L31 : U unknown unknown
+L32 : U unknown unknown
+L33 : A unknown unknown
+L34 : A unknown unknown
+L35 : A unknown unknown
+L36 : G unknown unknown
+L37 : A unknown unknown
+L38 : G unknown unknown
+L39 : U unknown unknown
+L40 : G unknown unknown
+L41 : C unknown unknown
+L42 : G unknown unknown
+L43 : U unknown unknown
+L44 : A unknown unknown
+L45 : A unknown unknown
+L46 : C unknown unknown
+L47 : A unknown unknown
+L48 : G unknown unknown
+L49 : C unknown unknown
+L50 : U unknown unknown
+L51 : C unknown unknown
+L52 : A unknown unknown
+L53 : C unknown unknown
+L54 : C unknown unknown
+L55 : A unknown unknown
+L56 : G unknown unknown
+L57 : C unknown unknown
+M1 : G unknown unknown
+M2 : C unknown unknown
+M3 : U unknown unknown
+M4 : C unknown unknown
+M5 : C unknown unknown
+M6 : U unknown unknown
+M7 : A unknown unknown
+M8 : G unknown unknown
+M9 : U unknown unknown
+M10 : A unknown unknown
+M11 : C unknown unknown
+M12 : G unknown unknown
+M13 : A unknown unknown
+M14 : G unknown unknown
+M15 : A unknown unknown
+M16 : G unknown unknown
+M17 : G unknown unknown
+M18 : A unknown unknown
+M19 : C unknown unknown
+M20 : C unknown unknown
+M21 : G unknown unknown
+M22 : G unknown unknown
+M23 : A unknown unknown
+M24 : G unknown unknown
+M25 : U unknown unknown
+M26 : G unknown unknown
+O1 : C unknown unknown
+O2 : G unknown unknown
+O3 : C unknown unknown
+O4 : G unknown unknown
+O5 : G unknown unknown
+O6 : G unknown unknown
+O7 : G unknown unknown
+O8 : 4SU
+O9 : G unknown unknown
+O10 : G unknown unknown
+O11 : A unknown unknown
+O12 : G unknown unknown
+O13 : C unknown unknown
+O14 : A unknown unknown
+O15 : G unknown unknown
+O16 : C unknown unknown
+O17 : C unknown unknown
+O18 : G unknown unknown
+O19 : G unknown unknown
+O20 : H2U
+O21 : A unknown unknown
+O22 : G unknown unknown
+O23 : C unknown unknown
+O24 : U unknown unknown
+O25 : C unknown unknown
+O26 : G unknown unknown
+O27 : U unknown unknown
+O28 : C unknown unknown
+O29 : G unknown unknown
+O30 : G unknown unknown
+O31 : G unknown unknown
+O32 : OMC
+O33 : U unknown unknown
+O34 : C unknown unknown
+O35 : A unknown unknown
+O36 : U unknown unknown
+O37 : A unknown unknown
+O38 : A unknown unknown
+O39 : C unknown unknown
+O40 : C unknown unknown
+O41 : C unknown unknown
+O42 : G unknown unknown
+O43 : A unknown unknown
+O44 : A unknown unknown
+O45 : G unknown unknown
+O46 : A unknown unknown
+O47 : U unknown unknown
+O48 : C unknown unknown
+O49 : G unknown unknown
+O50 : U unknown unknown
+O51 : C unknown unknown
+O52 : G unknown unknown
+O53 : G unknown unknown
+O54 : 5MU
+O55 : PSU
+O56 : C unknown unknown
+O57 : A unknown unknown
+O58 : A unknown unknown
+O59 : A unknown unknown
+O60 : U unknown unknown
+O61 : C unknown unknown
+O62 : C unknown unknown
+O63 : G unknown unknown
+O64 : G unknown unknown
+O65 : C unknown unknown
+O66 : C unknown unknown
+O67 : C unknown unknown
+O68 : C unknown unknown
+O69 : C unknown unknown
+O70 : G unknown unknown
+O71 : C unknown unknown
+O72 : A unknown unknown
+O73 : A unknown unknown
+O74 : C unknown unknown
+O75 : C unknown unknown
+O76 : A unknown unknown
+A1 : MET
+A2 : LYS
+A3 : LEU
+A4 : SER
+A5 : GLU
+A6 : TYR
+A7 : GLY
+A8 : LEU
+A9 : GLN
+A10 : LEU
+A11 : GLN
+A12 : GLU
+A13 : LYS
+A14 : GLN
+A15 : LYS
+A16 : LEU
+A17 : ARG
+A18 : HIS
+A19 : MET
+A20 : TYR
+A21 : GLY
+A22 : VAL
+A23 : ASN
+A24 : GLU
+A25 : ARG
+A26 : GLN
+A27 : PHE
+A28 : ARG
+A29 : LYS
+A30 : THR
+A31 : PHE
+A32 : GLU
+A33 : GLU
+A34 : ALA
+A35 : GLY
+A36 : LYS
+A37 : MET
+A38 : PRO
+A39 : GLY
+A40 : LYS
+A41 : HIS
+A42 : GLY
+A43 : GLU
+A44 : ASN
+A45 : PHE
+A46 : MET
+A47 : ILE
+A48 : LEU
+A49 : LEU
+A50 : GLU
+A51 : SER
+A52 : ARG
+A53 : LEU
+A54 : ASP
+A55 : ASN
+A56 : LEU
+A57 : VAL
+A58 : TYR
+A59 : ARG
+A60 : LEU
+A61 : GLY
+A62 : LEU
+A63 : ALA
+A64 : ARG
+A65 : THR
+A66 : ARG
+A67 : ARG
+A68 : GLN
+A69 : ALA
+A70 : ARG
+A71 : GLN
+A72 : LEU
+A73 : VAL
+A74 : THR
+A75 : HIS
+A76 : GLY
+A77 : HIS
+A78 : ILE
+A79 : LEU
+A80 : VAL
+A81 : ASP
+A82 : GLY
+A83 : SER
+A84 : ARG
+A85 : VAL
+A86 : ASN
+A87 : ILE
+A88 : PRO
+A89 : SER
+A90 : TYR
+A91 : ARG
+A92 : VAL
+A93 : LYS
+A94 : PRO
+A95 : GLY
+A96 : GLN
+A97 : THR
+A98 : ILE
+A99 : ALA
+A100 : VAL
+A101 : ARG
+A102 : GLU
+A103 : LYS
+A104 : SER
+A105 : ARG
+A106 : ASN
+A107 : LEU
+A108 : GLN
+A109 : VAL
+A110 : ILE
+A111 : LYS
+A112 : GLU
+A113 : ALA
+A114 : LEU
+A115 : GLU
+A116 : ALA
+A117 : ASN
+A118 : ASN
+A119 : TYR
+A120 : ILE
+A121 : PRO
+A122 : ASP
+A123 : TYR
+A124 : LEU
+A125 : SER
+A126 : PHE
+A127 : ASP
+A128 : PRO
+A129 : GLU
+A130 : LYS
+A131 : MET
+A132 : GLU
+A133 : GLY
+A134 : THR
+A135 : TYR
+A136 : THR
+A137 : ARG
+A138 : LEU
+A139 : PRO
+A140 : GLU
+A141 : ARG
+A142 : SER
+A143 : GLU
+A144 : LEU
+A145 : PRO
+A146 : ALA
+A147 : GLU
+A148 : ILE
+A149 : ASN
+A150 : GLU
+A151 : ALA
+A152 : LEU
+A153 : ILE
+A154 : VAL
+A155 : GLU
+A156 : PHE
+A157 : TYR
+A158 : SER
+A159 : ARG
+B1 : ILE
+B2 : ASN
+B3 : PRO
+B4 : ASN
+B5 : LYS
+B6 : LEU
+B7 : GLU
+B8 : LEU
+B9 : GLU
+B10 : GLU
+B11 : ARG
+B12 : VAL
+B13 : VAL
+B14 : ALA
+B15 : VAL
+B16 : ASN
+B17 : ARG
+B18 : VAL
+B19 : ALA
+B20 : LYS
+B21 : VAL
+B22 : VAL
+B23 : LYS
+B24 : GLY
+B25 : GLY
+B26 : ARG
+B27 : ARG
+B28 : LEU
+B29 : ARG
+B30 : PHE
+B31 : SER
+B32 : ALA
+B33 : LEU
+B34 : VAL
+B35 : VAL
+B36 : VAL
+B37 : GLY
+B38 : ASP
+B39 : LYS
+B40 : ASN
+B41 : GLY
+B42 : HIS
+B43 : VAL
+B44 : GLY
+B45 : PHE
+B46 : GLY
+B47 : THR
+B48 : GLY
+B49 : LYS
+B50 : ALA
+B51 : GLN
+B52 : GLU
+B53 : VAL
+B54 : PRO
+B55 : GLU
+B56 : ALA
+B57 : ILE
+B58 : ARG
+B59 : LYS
+B60 : ALA
+B61 : ILE
+B62 : GLU
+B63 : ASP
+B64 : ALA
+B65 : LYS
+B66 : LYS
+B67 : ASN
+B68 : LEU
+B69 : ILE
+B70 : GLU
+B71 : VAL
+B72 : PRO
+B73 : ILE
+B74 : VAL
+B75 : GLY
+B76 : THR
+B77 : THR
+B78 : ILE
+B79 : PRO
+B80 : HIS
+B81 : GLU
+B82 : VAL
+B83 : ILE
+B84 : GLY
+B85 : HIS
+B86 : PHE
+B87 : GLY
+B88 : ALA
+B89 : GLY
+B90 : GLU
+B91 : ILE
+B92 : ILE
+B93 : LEU
+B94 : LYS
+B95 : PRO
+B96 : ALA
+B97 : SER
+B98 : GLU
+B99 : GLY
+B100 : THR
+B101 : GLY
+B102 : VAL
+B103 : ILE
+B104 : ALA
+B105 : GLY
+B106 : GLY
+B107 : PRO
+B108 : ALA
+B109 : ARG
+B110 : ALA
+B111 : VAL
+B112 : LEU
+B113 : GLU
+B114 : LEU
+B115 : ALA
+B116 : GLY
+B117 : ILE
+B118 : SER
+B119 : ASP
+B120 : ILE
+B121 : LEU
+B122 : SER
+B123 : LYS
+B124 : SER
+B125 : ILE
+B126 : GLY
+B127 : SER
+B128 : ASN
+B129 : THR
+B130 : PRO
+B131 : ILE
+B132 : ASN
+B133 : MET
+B134 : VAL
+B135 : ARG
+B136 : ALA
+B137 : THR
+B138 : PHE
+B139 : ASP
+B140 : GLY
+B141 : LEU
+B142 : LYS
+B143 : GLN
+B144 : LEU
+B145 : LYS
+C1 : MET
+C2 : ARG
+C3 : ARG
+C4 : TYR
+C5 : GLU
+C6 : VAL
+C7 : ASN
+C8 : ILE
+C9 : VAL
+C10 : LEU
+C11 : ASN
+C12 : PRO
+C13 : ASN
+C14 : LEU
+C15 : ASP
+C16 : GLN
+C17 : SER
+C18 : GLN
+C19 : LEU
+C20 : ALA
+C21 : LEU
+C22 : GLU
+C23 : LYS
+C24 : GLU
+C25 : ILE
+C26 : ILE
+C27 : GLN
+C28 : ARG
+C29 : ALA
+C30 : LEU
+C31 : GLU
+C32 : ASN
+C33 : TYR
+C34 : GLY
+C35 : ALA
+C36 : ARG
+C37 : VAL
+C38 : GLU
+C39 : LYS
+C40 : VAL
+C41 : GLU
+C42 : GLU
+C43 : LEU
+C44 : GLY
+C45 : LEU
+C46 : ARG
+C47 : ARG
+C48 : LEU
+C49 : ALA
+C50 : TYR
+C51 : PRO
+C52 : ILE
+C53 : ALA
+C54 : LYS
+C55 : ASP
+C56 : PRO
+C57 : GLN
+C58 : GLY
+C59 : TYR
+C60 : PHE
+C61 : LEU
+C62 : TRP
+C63 : TYR
+C64 : GLN
+C65 : VAL
+C66 : GLU
+C67 : MET
+C68 : PRO
+C69 : GLU
+C70 : ASP
+C71 : ARG
+C72 : VAL
+C73 : ASN
+C74 : ASP
+C75 : LEU
+C76 : ALA
+C77 : ARG
+C78 : GLU
+C79 : LEU
+C80 : ARG
+C81 : ILE
+C82 : ARG
+C83 : ASP
+C84 : ASN
+C85 : VAL
+C86 : ARG
+C87 : ARG
+C88 : VAL
+C89 : MET
+C90 : VAL
+C91 : VAL
+C92 : LYS
+C93 : SER
+C94 : GLN
+C95 : GLU
+C96 : PRO
+C97 : PHE
+D1 : LEU
+D2 : GLN
+D3 : PRO
+D4 : ASP
+D5 : LEU
+D6 : VAL
+D7 : TYR
+D8 : GLY
+D9 : ASP
+D10 : VAL
+D11 : LEU
+D12 : VAL
+D13 : THR
+D14 : ALA
+D15 : PHE
+D16 : ILE
+D17 : ASN
+D18 : LYS
+D19 : ILE
+D20 : MET
+D21 : ARG
+D22 : ASP
+D23 : GLY
+D24 : LYS
+D25 : LYS
+D26 : ASN
+D27 : LEU
+D28 : ALA
+D29 : ALA
+D30 : ARG
+D31 : ILE
+D32 : PHE
+D33 : TYR
+D34 : ASP
+D35 : ALA
+D36 : CYS
+D37 : LYS
+D38 : ILE
+D39 : ILE
+D40 : GLN
+D41 : GLU
+D42 : LYS
+D43 : THR
+D44 : GLY
+D45 : GLN
+D46 : GLU
+D47 : PRO
+D48 : LEU
+D49 : LYS
+D50 : VAL
+D51 : PHE
+D52 : LYS
+D53 : GLN
+D54 : ALA
+D55 : VAL
+D56 : GLU
+D57 : ASN
+D58 : VAL
+D59 : LYS
+D60 : PRO
+D61 : ARG
+D62 : MET
+D63 : GLU
+D64 : VAL
+D65 : ARG
+D66 : SER
+D67 : ARG
+D68 : ARG
+D69 : VAL
+D70 : GLY
+D71 : GLY
+D72 : ALA
+D73 : ASN
+D74 : TYR
+D75 : GLN
+D76 : VAL
+D77 : PRO
+D78 : MET
+D79 : GLU
+D80 : VAL
+D81 : SER
+D82 : PRO
+D83 : ARG
+D84 : ARG
+D85 : GLN
+D86 : GLN
+D87 : SER
+D88 : LEU
+D89 : ALA
+D90 : LEU
+D91 : ARG
+D92 : TRP
+D93 : LEU
+D94 : VAL
+D95 : GLN
+D96 : ALA
+D97 : ALA
+D98 : ASN
+D99 : GLN
+D100 : ARG
+D101 : PRO
+D102 : GLU
+D103 : ARG
+D104 : ARG
+D105 : ALA
+D106 : ALA
+D107 : VAL
+D108 : ARG
+D109 : ILE
+D110 : ALA
+D111 : HIS
+D112 : GLU
+D113 : LEU
+D114 : MET
+D115 : ASP
+D116 : ALA
+D117 : ALA
+D118 : GLU
+D119 : GLY
+D120 : LYS
+D121 : GLY
+D122 : GLY
+D123 : ALA
+D124 : VAL
+D125 : LYS
+D126 : LYS
+D127 : LYS
+D128 : GLU
+D129 : ASP
+D130 : VAL
+D131 : GLU
+D132 : ARG
+D133 : MET
+D134 : ALA
+D135 : GLU
+E1 : THR
+E2 : ASP
+E3 : PRO
+E4 : ILE
+E5 : ALA
+E6 : ASP
+E7 : MET
+E8 : LEU
+E9 : THR
+E10 : ARG
+E11 : ILE
+E12 : ARG
+E13 : ASN
+E14 : ALA
+E15 : THR
+E16 : ARG
+E17 : VAL
+E18 : TYR
+E19 : LYS
+E20 : GLU
+E21 : SER
+E22 : THR
+E23 : ASP
+E24 : VAL
+E25 : PRO
+E26 : ALA
+E27 : SER
+E28 : ARG
+E29 : PHE
+E30 : LYS
+E31 : GLU
+E32 : GLU
+E33 : ILE
+E34 : LEU
+E35 : ARG
+E36 : ILE
+E37 : LEU
+E38 : ALA
+E39 : ARG
+E40 : GLU
+E41 : GLY
+E42 : PHE
+E43 : ILE
+E44 : LYS
+E45 : GLY
+E46 : TYR
+E47 : GLU
+E48 : ARG
+E49 : VAL
+E50 : ASP
+E51 : VAL
+E52 : ASP
+E53 : GLY
+E54 : LYS
+E55 : PRO
+E56 : TYR
+E57 : LEU
+E58 : ARG
+E59 : VAL
+E60 : TYR
+E61 : LEU
+E62 : LYS
+E63 : TYR
+E64 : GLY
+E65 : PRO
+E66 : ARG
+E67 : ARG
+E68 : GLN
+E69 : GLY
+E70 : PRO
+E71 : ASP
+E72 : PRO
+E73 : ARG
+E74 : PRO
+E75 : GLU
+E76 : GLN
+E77 : VAL
+E78 : ILE
+E79 : HIS
+E80 : HIS
+E81 : ILE
+E82 : ARG
+E83 : ARG
+E84 : ILE
+E85 : SER
+E86 : LYS
+E87 : PRO
+E88 : GLY
+E89 : ARG
+E90 : ARG
+E91 : VAL
+E92 : TYR
+E93 : VAL
+E94 : GLY
+E95 : VAL
+E96 : LYS
+E97 : GLU
+E98 : ILE
+E99 : PRO
+E100 : ARG
+E101 : VAL
+E102 : ARG
+E103 : ARG
+E104 : GLY
+E105 : LEU
+E106 : GLY
+E107 : ILE
+E108 : ALA
+E109 : ILE
+E110 : LEU
+E111 : SER
+E112 : THR
+E113 : SER
+E114 : LYS
+E115 : GLY
+E116 : VAL
+E117 : LEU
+E118 : THR
+E119 : ASP
+E120 : ARG
+E121 : GLU
+E122 : ALA
+E123 : ARG
+E124 : LYS
+E125 : LEU
+E126 : GLY
+E127 : VAL
+E128 : GLY
+E129 : GLY
+E130 : GLU
+E131 : LEU
+E132 : ILE
+E133 : CYS
+E134 : GLU
+E135 : VAL
+E136 : TRP
+F1 : PRO
+F2 : ILE
+F3 : THR
+F4 : LYS
+F5 : GLU
+F6 : GLU
+F7 : LYS
+F8 : GLN
+F9 : LYS
+F10 : VAL
+F11 : ILE
+F12 : GLN
+F13 : GLU
+F14 : PHE
+F15 : ALA
+F16 : ARG
+F17 : PHE
+F18 : PRO
+F19 : GLY
+F20 : ASP
+F21 : THR
+F22 : GLY
+F23 : SER
+F24 : THR
+F25 : GLU
+F26 : VAL
+F27 : GLN
+F28 : VAL
+F29 : ALA
+F30 : LEU
+F31 : LEU
+F32 : THR
+F33 : LEU
+F34 : ARG
+F35 : ILE
+F36 : ASN
+F37 : ARG
+F38 : LEU
+F39 : SER
+F40 : GLU
+F41 : HIS
+F42 : LEU
+F43 : LYS
+F44 : VAL
+F45 : HIS
+F46 : LYS
+F47 : LYS
+F48 : ASP
+F49 : HIS
+F50 : HIS
+F51 : SER
+F52 : HIS
+F53 : ARG
+F54 : GLY
+F55 : LEU
+F56 : LEU
+F57 : MET
+F58 : MET
+F59 : VAL
+F60 : GLY
+F61 : GLN
+F62 : ARG
+F63 : ARG
+F64 : ARG
+F65 : LEU
+F66 : LEU
+F67 : ARG
+F68 : TYR
+F69 : LEU
+F70 : GLN
+F71 : ARG
+F72 : GLU
+F73 : ASP
+F74 : PRO
+F75 : GLU
+F76 : ARG
+F77 : TYR
+F78 : ARG
+F79 : ALA
+F80 : LEU
+F81 : ILE
+F82 : GLU
+F83 : LYS
+F84 : LEU
+F85 : GLY
+F86 : ILE
+F87 : ARG
+F88 : GLY
+G1 : GLN
+G2 : ARG
+G3 : LYS
+G4 : VAL
+G5 : TYR
+G6 : VAL
+G7 : GLY
+G8 : ARG
+G9 : VAL
+G10 : VAL
+G11 : SER
+G12 : ASP
+G13 : LYS
+G14 : MET
+G15 : ASP
+G16 : LYS
+G17 : THR
+G18 : ILE
+G19 : THR
+G20 : VAL
+G21 : LEU
+G22 : VAL
+G23 : GLU
+G24 : THR
+G25 : TYR
+G26 : LYS
+G27 : LYS
+G28 : HIS
+G29 : PRO
+G30 : LEU
+G31 : TYR
+G32 : GLY
+G33 : LYS
+G34 : ARG
+G35 : VAL
+G36 : LYS
+G37 : TYR
+G38 : SER
+G39 : LYS
+G40 : LYS
+G41 : TYR
+G42 : LYS
+G43 : ALA
+G44 : HIS
+G45 : ASP
+G46 : GLU
+G47 : HIS
+G48 : ASN
+G49 : GLU
+G50 : ALA
+G51 : LYS
+G52 : VAL
+G53 : GLY
+G54 : ASP
+G55 : ILE
+G56 : VAL
+G57 : LYS
+G58 : ILE
+G59 : MET
+G60 : GLU
+G61 : THR
+G62 : ARG
+G63 : PRO
+G64 : LEU
+G65 : SER
+G66 : ALA
+G67 : THR
+G68 : LYS
+G69 : ARG
+G70 : PHE
+G71 : ARG
+G72 : LEU
+G73 : VAL
+G74 : GLU
+G75 : ILE
+G76 : VAL
+G77 : GLU
+G78 : LYS
+G79 : ALA
+G80 : VAL
+G81 : ARG
+G82 : ALA
+G83 : GLY
+G84 : ALA
+G85 : GLY
+G86 : ALA
+G87 : GLY
+G88 : ALA
+G89 : ALA
+H1 : UNK
+H2 : UNK
+H3 : UNK
+H4 : UNK
+H5 : UNK
+H6 : UNK
+H7 : UNK
+H8 : UNK
+H9 : UNK
+H10 : UNK
+H11 : UNK
+H12 : UNK
+H13 : UNK
+H14 : UNK
+H15 : UNK
+H16 : UNK
+H17 : UNK
+H18 : UNK
+H19 : UNK
+H20 : UNK
+H21 : UNK
+H22 : UNK
+H23 : UNK
+H24 : UNK
+H25 : UNK
+H26 : UNK
+H27 : UNK
+H28 : UNK
+H29 : UNK
+H30 : UNK
+H31 : UNK
+H32 : UNK
+H33 : UNK
+H34 : UNK
+H35 : UNK
+H36 : UNK
+H37 : UNK
+H38 : UNK
+H39 : UNK
+H40 : UNK
+H41 : UNK
+H42 : UNK
+H43 : UNK
+H44 : UNK
+H45 : UNK
+H46 : UNK
+H47 : UNK
+H48 : UNK
+H49 : UNK
+H50 : UNK
+H51 : UNK
+H52 : UNK
+H53 : UNK
+H54 : UNK
+H55 : UNK
+H56 : UNK
+H57 : UNK
+H58 : UNK
+H59 : UNK
+H60 : UNK
+H61 : UNK
+H62 : UNK
+H63 : UNK
+H64 : UNK
+H65 : UNK
+H66 : UNK
+H67 : UNK
+H68 : UNK
+H69 : UNK
+H70 : UNK
+H71 : UNK
+H72 : UNK
+H73 : UNK
+H74 : UNK
+H75 : UNK
+H76 : UNK
+H77 : UNK
+H78 : UNK
+H79 : UNK
+H80 : UNK
+H81 : UNK
+H82 : UNK
+H83 : UNK
+H84 : UNK
+H85 : UNK
+H86 : UNK
+H87 : UNK
+H88 : UNK
+H89 : UNK
+H90 : UNK
+H91 : UNK
+H92 : UNK
+H93 : UNK
+H94 : UNK
+H95 : UNK
+H96 : UNK
+H97 : UNK
+H98 : UNK
+H99 : UNK
+H100 : UNK
+N1 : ALA
+N2 : LEU
+N3 : LEU
+N4 : GLU
+N5 : LYS
+N6 : VAL
+N7 : ASP
+N8 : PRO
+N9 : ASN
+N10 : LYS
+N11 : ILE
+N12 : TYR
+N13 : THR
+N14 : ILE
+N15 : ASP
+N16 : GLU
+N17 : ALA
+N18 : ALA
+N19 : HIS
+N20 : LEU
+N21 : VAL
+N22 : LYS
+N23 : GLU
+N24 : LEU
+N25 : ALA
+N26 : THR
+N27 : ALA
+N28 : LYS
+N29 : PHE
+N30 : ASP
+N31 : GLU
+N32 : THR
+N33 : VAL
+N34 : GLU
+N35 : VAL
+N36 : HIS
+N37 : ALA
+N38 : LYS
+N39 : LEU
+N40 : GLY
+N41 : ILE
+N42 : ASP
+N43 : PRO
+N44 : ARG
+N45 : ARG
+N46 : SER
+N47 : ASP
+N48 : GLN
+N49 : ASN
+N50 : VAL
+N51 : ARG
+N52 : GLY
+N53 : THR
+N54 : VAL
+N55 : SER
+N56 : LEU
+N57 : PRO
+N58 : HIS
+N59 : GLY
+N60 : LEU
+N61 : GLY
+N62 : LYS
+N63 : GLN
+N64 : VAL
+N65 : ARG
+N66 : VAL
+N67 : LEU
+N68 : ALA
+N69 : ILE
+N70 : ALA
+N71 : LYS
+N72 : GLY
+N73 : GLU
+N74 : LYS
+N75 : ILE
+N76 : LYS
+N77 : GLU
+N78 : ALA
+N79 : GLU
+N80 : GLU
+N81 : ALA
+N82 : GLY
+N83 : ALA
+N84 : ASP
+N85 : TYR
+N86 : VAL
+N87 : GLY
+N88 : GLY
+N89 : GLU
+N90 : GLU
+N91 : ILE
+N92 : ILE
+N93 : GLN
+N94 : LYS
+N95 : ILE
+N96 : LEU
+N97 : ASP
+N98 : GLY
+N99 : TRP
+N100 : MET
+N101 : ASP
+N102 : PHE
+N103 : ASP
+N104 : ALA
+N105 : VAL
+N106 : VAL
+N107 : ALA
+N108 : THR
+N109 : PRO
+N110 : ASP
+N111 : VAL
+N112 : MET
+N113 : GLY
+N114 : ALA
+N115 : VAL
+N116 : GLY
+N117 : SER
+N118 : LYS
+N119 : LEU
+N120 : GLY
+N121 : ARG
+N122 : ILE
+N123 : LEU
+N124 : GLY
+N125 : PRO
+N126 : ARG
+N127 : GLY
+N128 : LEU
+N129 : LEU
+N130 : PRO
+N131 : ASN
+N132 : PRO
+N133 : LYS
+N134 : ALA
+N135 : GLY
+N136 : THR
+N137 : VAL
+N138 : GLY
+N139 : PHE
+N140 : ASN
+N141 : ILE
+N142 : GLY
+N143 : GLU
+N144 : ILE
+N145 : ILE
+N146 : ARG
+N147 : GLU
+N148 : ILE
+N149 : LYS
+N150 : ALA
+N151 : GLY
+N152 : ARG
+N153 : ILE
+N154 : GLU
+N155 : PHE
+N156 : ARG
+N157 : ASN
+N158 : ASP
+N159 : LYS
+N160 : THR
+N161 : GLY
+N162 : ALA
+N163 : ILE
+N164 : HIS
+N165 : ALA
+N166 : PRO
+N167 : VAL
+N168 : GLY
+N169 : LYS
+N170 : ALA
+N171 : SER
+N172 : PHE
+N173 : PRO
+N174 : PRO
+N175 : GLU
+N176 : LYS
+N177 : LEU
+N178 : ALA
+N179 : ASP
+N180 : ASN
+N181 : ILE
+N182 : ARG
+N183 : ALA
+N184 : PHE
+N185 : ILE
+N186 : ARG
+N187 : ALA
+N188 : LEU
+N189 : GLU
+N190 : ALA
+N191 : HIS
+N192 : LYS
+N193 : PRO
+N194 : GLU
+N195 : GLY
+N196 : ALA
+N197 : LYS
+N198 : GLY
+N199 : THR
+N200 : PHE
+N201 : LEU
+N202 : ARG
+N203 : SER
+N204 : VAL
+N205 : TYR
+N206 : VAL
+N207 : THR
+N208 : THR
+N209 : THR
+N210 : MET
+N211 : GLY
+N212 : PRO
+N213 : SER
+N214 : VAL
+N215 : ARG
+N216 : ILE
+N217 : ASN
+N218 : PRO
+N219 : HIS
+N220 : SER
+J1 : PRO
+J2 : ILE
+J3 : GLU
+J4 : ILE
+J5 : PRO
+J6 : ALA
+J7 : GLY
+J8 : VAL
+J9 : THR
+J10 : VAL
+J11 : THR
+J12 : VAL
+J13 : ASN
+J14 : GLY
+J15 : ASN
+J16 : THR
+J17 : VAL
+J18 : THR
+J19 : VAL
+J20 : LYS
+J21 : GLY
+J22 : PRO
+J23 : LYS
+J24 : GLY
+J25 : GLU
+J26 : LEU
+J27 : THR
+J28 : ARG
+J29 : THR
+J30 : PHE
+J31 : HIS
+J32 : PRO
+J33 : ASP
+J34 : MET
+J35 : THR
+J36 : ILE
+J37 : THR
+J38 : VAL
+J39 : GLU
+J40 : GLY
+J41 : ASN
+J42 : VAL
+J43 : ILE
+J44 : THR
+J45 : VAL
+J46 : THR
+J47 : ARG
+J48 : PRO
+J49 : SER
+J50 : ASP
+J51 : GLU
+J52 : LYS
+J53 : HIS
+J54 : HIS
+J55 : ARG
+J56 : ALA
+J57 : LEU
+J58 : HIS
+J59 : GLY
+J60 : THR
+J61 : THR
+J62 : ARG
+J63 : SER
+J64 : LEU
+J65 : LEU
+J66 : ALA
+J67 : ASN
+J68 : MET
+J69 : VAL
+J70 : GLU
+J71 : GLY
+J72 : VAL
+J73 : SER
+J74 : LYS
+J75 : GLY
+J76 : TYR
+J77 : GLU
+J78 : LYS
+J79 : ALA
+J80 : LEU
+J81 : GLU
+J82 : LEU
+J83 : VAL
+J84 : GLY
+J85 : VAL
+J86 : GLY
+J87 : TYR
+J88 : ARG
+J89 : ALA
+J90 : SER
+J91 : LYS
+J92 : GLN
+J93 : GLY
+J94 : LYS
+J95 : LYS
+J96 : LEU
+J97 : VAL
+J98 : LEU
+J99 : SER
+J100 : VAL
+J101 : GLY
+J102 : TYR
+J103 : SER
+J104 : HIS
+J105 : PRO
+J106 : VAL
+J107 : GLU
+J108 : ILE
+J109 : GLU
+J110 : PRO
+J111 : GLU
+J112 : GLU
+J113 : GLY
+J114 : LEU
+J115 : GLU
+J116 : ILE
+J117 : GLU
+J118 : VAL
+J119 : PRO
+J120 : SER
+J121 : GLN
+J122 : THR
+J123 : LYS
+J124 : ILE
+J125 : ILE
+J126 : VAL
+J127 : LYS
+J128 : GLY
+J129 : ALA
+J130 : ASP
+J131 : LYS
+J132 : GLN
+J133 : ARG
+J134 : VAL
+J135 : GLY
+J136 : GLU
+J137 : LEU
+J138 : ALA
+J139 : ALA
+J140 : ASN
+J141 : ILE
+J142 : ARG
+J143 : ALA
+J144 : VAL
+J145 : ARG
+J146 : PRO
+J147 : PRO
+J148 : GLU
+J149 : PRO
+J150 : TYR
+J151 : LYS
+J152 : GLY
+J153 : LYS
+J154 : GLY
+J155 : ILE
+J156 : ARG
+J157 : TYR
+J158 : GLU
+J159 : GLY
+J160 : GLU
+J161 : LEU
+J162 : VAL
+J163 : ARG
+J164 : LEU
+K1 : GLN
+K2 : ILE
+K3 : LYS
+K4 : LEU
+K5 : GLN
+K6 : LEU
+K7 : PRO
+K8 : ALA
+K9 : GLY
+K10 : LYS
+K11 : ALA
+K12 : THR
+K13 : PRO
+K14 : ALA
+K15 : PRO
+K16 : PRO
+K17 : VAL
+K18 : GLY
+K19 : PRO
+K20 : ALA
+K21 : LEU
+K22 : GLY
+K23 : GLN
+K24 : HIS
+K25 : GLY
+K26 : VAL
+K27 : ASN
+K28 : ILE
+K29 : MET
+K30 : GLU
+K31 : PHE
+K32 : CYS
+K33 : LYS
+K34 : ARG
+K35 : PHE
+K36 : ASN
+K37 : ALA
+K38 : GLU
+K39 : THR
+K40 : ALA
+K41 : ASP
+K42 : LYS
+K43 : ALA
+K44 : GLY
+K45 : MET
+K46 : ILE
+K47 : LEU
+K48 : PRO
+K49 : VAL
+K50 : VAL
+K51 : ILE
+K52 : THR
+K53 : VAL
+K54 : TYR
+K55 : GLU
+K56 : ASP
+K57 : LYS
+K58 : SER
+K59 : PHE
+K60 : THR
+K61 : PHE
+K62 : ILE
+K63 : ILE
+K64 : LYS
+K65 : THR
+K66 : PRO
+K67 : PRO
+K68 : ALA
+K69 : SER
+K70 : PHE
+K71 : LEU
+K72 : LEU
+K73 : LYS
+K74 : LYS
+K75 : ALA
+K76 : ALA
+K77 : GLY
+K78 : ILE
+K79 : GLU
+K80 : LYS
+K81 : GLY
+K82 : SER
+K83 : SER
+K84 : GLU
+K85 : PRO
+K86 : LYS
+K87 : ARG
+K88 : LYS
+K89 : ILE
+K90 : VAL
+K91 : GLY
+K92 : LYS
+K93 : VAL
+K94 : THR
+K95 : ARG
+K96 : LYS
+K97 : GLN
+K98 : ILE
+K99 : GLU
+K100 : GLU
+K101 : ILE
+K102 : ALA
+K103 : LYS
+K104 : THR
+K105 : LYS
+K106 : MET
+K107 : PRO
+K108 : ASP
+K109 : LEU
+K110 : ASN
+K111 : ALA
+K112 : ASN
+K113 : SER
+K114 : LEU
+K115 : GLU
+K116 : ALA
+K117 : ALA
+K118 : MET
+K119 : LYS
+K120 : ILE
+K121 : ILE
+K122 : GLU
+K123 : GLY
+K124 : THR
+K125 : ALA
+K126 : LYS
+K127 : SER
+K128 : MET
+K129 : GLY
+K130 : ILE
+K131 : GLU
+K132 : VAL
+K133 : VAL
+Adjacent stackings ----------------------------------------------
+Non-Adjacent stackings ------------------------------------------
+Number of stackings = 0
+Number of adjacent stackings = 0
+Number of non adjacent stackings = 0
+Base-pairs ------------------------------------------------------
diff --git a/MCdata/1egk_MC b/MCdata/1egk_MC
new file mode 100644
index 0000000000000000000000000000000000000000..3fc630768f823df00500cc3e6891dbbc792c597b
--- /dev/null
+++ b/MCdata/1egk_MC
@@ -0,0 +1,352 @@
+Residue conformations -------------------------------------------
+A1 : A O4p_exo anti
+A2 : G C3p_endo anti
+A3 : G C3p_endo anti
+A4 : A C3p_endo anti
+A5 : G C3p_endo anti
+A6 : A C3p_endo anti
+A7 : G C3p_endo anti
+A8 : A C3p_endo anti
+A9 : G C3p_endo anti
+A10 : A C3p_endo anti
+A11 : U C3p_endo anti
+A12 : G C3p_endo anti
+A13 : G C3p_endo anti
+A14 : G C3p_endo anti
+A15 : U C3p_endo anti
+A16 : G C3p_endo anti
+A17 : C C3p_endo anti
+A18 : G C3p_endo anti
+A19 : A C3p_endo anti
+A20 : G C3p_endo anti
+B21 : C C3p_endo anti
+B22 : T C3p_endo anti
+B23 : C C3p_endo anti
+B24 : G C3p_endo anti
+B25 : C C3p_endo anti
+B26 : A C3p_endo anti
+B27 : C C3p_endo anti
+B28 : C C3p_endo anti
+B29 : C C3p_endo anti
+B30 : A C3p_endo anti
+B31 : G C1p_exo anti
+B32 : G C3p_endo anti
+B33 : C O4p_endo anti
+B34 : T C2p_endo anti
+B35 : A C3p_exo anti
+B36 : G C1p_exo anti
+B37 : C C3p_endo anti
+B38 : T C3p_endo anti
+B39 : A C2p_endo anti
+B40 : C C2p_endo anti
+B41 : A O4p_endo anti
+B42 : A C2p_endo anti
+B43 : C C1p_exo anti
+B44 : G C2p_endo anti
+B45 : A C2p_exo anti
+B46 : C C3p_endo anti
+B47 : T C3p_endo anti
+B48 : C C4p_exo anti
+B49 : T C3p_endo anti
+B50 : C C3p_endo anti
+B51 : T C3p_endo anti
+B52 : C C3p_endo anti
+B53 : C C3p_endo anti
+B54 : T C2p_endo anti
+C101 : A O4p_endo syn
+C102 : G C3p_endo anti
+C103 : G C3p_endo anti
+C104 : A C3p_endo anti
+C105 : G C3p_endo anti
+C106 : A C3p_endo anti
+C107 : G C3p_endo anti
+C108 : A C3p_endo anti
+C109 : G C3p_endo anti
+C110 : A C3p_endo anti
+C111 : U C3p_endo anti
+C112 : G C3p_endo anti
+C113 : G C3p_endo anti
+C114 : G C3p_endo anti
+C115 : U C3p_endo anti
+C116 : G C3p_endo anti
+C117 : C C3p_endo anti
+C118 : G C3p_endo anti
+C119 : A C3p_endo anti
+C120 : G C3p_endo anti
+D121 : C C2p_exo anti
+D122 : T C3p_endo anti
+D123 : C C3p_endo anti
+D124 : G C3p_endo anti
+D125 : C C3p_endo anti
+D126 : A C3p_endo anti
+D127 : C C3p_endo anti
+D128 : C C3p_endo anti
+D129 : C C3p_endo anti
+D130 : A C3p_endo anti
+D131 : G C2p_endo anti
+D132 : G C3p_endo anti
+D133 : C C1p_exo anti
+D134 : T C2p_endo anti
+D135 : A C2p_endo anti
+D136 : G C1p_exo anti
+D137 : C C2p_endo anti
+D138 : T C3p_endo anti
+D139 : A C3p_exo anti
+D140 : C C2p_endo anti
+D141 : A C1p_exo anti
+D142 : A C1p_exo anti
+D143 : C C1p_exo anti
+D144 : G C1p_exo syn
+D145 : A C2p_endo syn
+D146 : C C3p_endo anti
+D147 : T C3p_endo anti
+D148 : C C3p_endo anti
+D149 : T C3p_endo anti
+D150 : C C3p_endo anti
+D151 : T C3p_endo anti
+D152 : C C3p_endo anti
+D153 : C C3p_endo anti
+D154 : T C3p_endo anti
+A21 : MG
+A22 : MG
+A23 : MG
+A24 : MG
+A25 : MG
+A26 : MG
+A27 : MG
+C3 : MG
+C4 : MG
+C6 : MG
+C7 : MG
+C9 : MG
+C13 : MG
+C14 : MG
+A28 : HOH
+A29 : HOH
+A30 : HOH
+A31 : HOH
+A32 : HOH
+A33 : HOH
+A34 : HOH
+A35 : HOH
+A36 : HOH
+A37 : HOH
+A38 : HOH
+A39 : HOH
+A40 : HOH
+A41 : HOH
+A42 : HOH
+A43 : HOH
+A44 : HOH
+A45 : HOH
+A46 : HOH
+A47 : HOH
+A48 : HOH
+A49 : HOH
+A50 : HOH
+A51 : HOH
+A52 : HOH
+A53 : HOH
+A54 : HOH
+A55 : HOH
+A56 : HOH
+A57 : HOH
+A58 : HOH
+A59 : HOH
+A60 : HOH
+B55 : HOH
+B56 : HOH
+B57 : HOH
+B58 : HOH
+B59 : HOH
+B60 : HOH
+B61 : HOH
+B62 : HOH
+B63 : HOH
+B64 : HOH
+B65 : HOH
+B66 : HOH
+C28 : HOH
+C29 : HOH
+C30 : HOH
+C31 : HOH
+C32 : HOH
+C34 : HOH
+C35 : HOH
+C36 : HOH
+C37 : HOH
+C45 : HOH
+C46 : HOH
+C47 : HOH
+C48 : HOH
+C49 : HOH
+C50 : HOH
+C51 : HOH
+C53 : HOH
+C56 : HOH
+C64 : HOH
+C65 : HOH
+C67 : HOH
+C68 : HOH
+C87 : HOH
+C88 : HOH
+C90 : HOH
+C91 : HOH
+C92 : HOH
+C93 : HOH
+C94 : HOH
+C95 : HOH
+C96 : HOH
+C97 : HOH
+C98 : HOH
+D52 : HOH
+D54 : HOH
+D55 : HOH
+D63 : HOH
+D70 : HOH
+D89 : HOH
+Adjacent stackings ----------------------------------------------
+A2-A3 : adjacent_5p upward 
+A3-A4 : adjacent_5p upward 
+A4-A5 : adjacent_5p upward 
+A5-A6 : adjacent_5p upward 
+A6-A7 : adjacent_5p upward 
+A7-A8 : adjacent_5p upward 
+A8-A9 : adjacent_5p upward 
+A9-A10 : adjacent_5p upward 
+A10-A11 : adjacent_5p upward 
+A11-A12 : adjacent_5p upward 
+A12-A13 : adjacent_5p upward 
+A13-A14 : adjacent_5p upward 
+A14-A15 : adjacent_5p upward 
+A15-A16 : adjacent_5p upward 
+A16-A17 : adjacent_5p upward 
+A17-A18 : adjacent_5p upward 
+A18-A19 : adjacent_5p upward 
+A19-A20 : adjacent_5p upward 
+B21-B22 : adjacent_5p upward 
+B24-B25 : adjacent_5p upward 
+B26-B27 : adjacent_5p upward 
+B27-B28 : adjacent_5p upward 
+B28-B29 : adjacent_5p upward 
+B29-B30 : adjacent_5p upward 
+B30-B31 : adjacent_5p upward 
+B32-B33 : adjacent_5p upward 
+B33-B34 : adjacent_5p upward 
+B34-B35 : adjacent_5p upward 
+B35-B36 : adjacent_5p upward 
+B36-B37 : adjacent_5p upward 
+B39-B40 : adjacent_5p upward 
+B40-B41 : adjacent_5p upward 
+B41-B42 : adjacent_5p upward 
+B43-B44 : adjacent_5p upward 
+B47-B48 : adjacent_5p upward 
+B49-B50 : adjacent_5p upward 
+B51-B52 : adjacent_5p upward 
+B53-B54 : adjacent_5p upward 
+C102-C103 : adjacent_5p upward 
+C103-C104 : adjacent_5p upward 
+C104-C105 : adjacent_5p upward 
+C105-C106 : adjacent_5p upward 
+C106-C107 : adjacent_5p upward 
+C107-C108 : adjacent_5p upward 
+C108-C109 : adjacent_5p upward 
+C109-C110 : adjacent_5p upward 
+C110-C111 : adjacent_5p upward 
+C111-C112 : adjacent_5p upward 
+C112-C113 : adjacent_5p upward 
+C113-C114 : adjacent_5p upward 
+C114-C115 : adjacent_5p upward 
+C115-C116 : adjacent_5p upward 
+C116-C117 : adjacent_5p upward 
+C117-C118 : adjacent_5p upward 
+C118-C119 : adjacent_5p upward 
+C119-C120 : adjacent_5p upward 
+D123-D124 : adjacent_5p upward 
+D124-D125 : adjacent_5p upward 
+D126-D127 : adjacent_5p upward 
+D127-D128 : adjacent_5p upward 
+D128-D129 : adjacent_5p upward 
+D130-D131 : adjacent_5p upward 
+D132-D133 : adjacent_5p upward 
+D133-D134 : adjacent_5p upward 
+D134-D135 : adjacent_5p upward 
+D135-D136 : adjacent_5p upward 
+D136-D137 : adjacent_5p upward 
+D139-D140 : adjacent_5p outward 
+D140-D141 : adjacent_5p upward 
+D141-D142 : adjacent_5p upward 
+D143-D144 : adjacent_5p upward 
+D149-D150 : adjacent_5p upward 
+D151-D152 : adjacent_5p upward 
+D153-D154 : adjacent_5p upward 
+Non-Adjacent stackings ------------------------------------------
+A1-D144 : downward 
+A1-D145 : upward 
+A3-D153 : outward 
+A12-B30 : outward 
+A16-B26 : outward 
+A18-B24 : outward 
+B32-D145 : downward 
+B44-C101 : inward 
+B45-D132 : upward 
+B53-C103 : outward 
+C112-D130 : outward 
+C116-D126 : outward 
+C118-D124 : outward 
+Number of stackings = 87
+Number of adjacent stackings = 74
+Number of non adjacent stackings = 13
+Base-pairs ------------------------------------------------------
+A1-D139 : A-A Wh/Hh pairing parallel trans one_hbond 35 
+A2-D153 : G-C Ww/Ww pairing antiparallel cis XIX 
+A3-D152 : G-C Ww/Ww pairing antiparallel cis XIX 
+A4-D151 : A-T Ww/Ww pairing antiparallel cis 
+A5-D150 : G-C Ww/Ww pairing antiparallel cis XIX 
+A6-D149 : A-T Ww/Ww pairing antiparallel cis 
+A7-D148 : G-C Ww/Ww pairing antiparallel cis XIX 
+A8-D147 : A-T Ww/Ww pairing antiparallel cis 
+A9-D146 : G-C Ww/Ww pairing antiparallel cis XIX 
+A10-B31 : A-G Ww/Ww pairing antiparallel cis VIII 
+A11-B30 : U-A Ww/Ww pairing antiparallel cis XX 
+A12-B29 : G-C Ww/Ww pairing antiparallel cis XIX 
+A13-B28 : G-C Ww/Ww pairing antiparallel cis XIX 
+A14-B27 : G-C Ww/Ww pairing antiparallel cis XIX 
+A15-B26 : U-A Ww/Ww pairing antiparallel cis XX 
+A16-B25 : G-C Ww/Ww pairing antiparallel cis XIX 
+A17-B24 : C-G Ww/Ww pairing antiparallel cis XIX 
+A18-B23 : G-C Ww/Ww pairing antiparallel cis XIX 
+A19-B22 : A-T Ww/Ww pairing antiparallel cis 
+A20-B21 : G-C Ww/Ww pairing antiparallel cis XIX 
+B32-D137 : G-C Ww/Ww pairing antiparallel cis XIX 
+B33-D136 : C-G Ww/Ww pairing antiparallel cis XIX 
+B34-D135 : T-A Ww/Ww pairing antiparallel cis 
+B35-D134 : A-T Ww/Ww pairing antiparallel cis 
+B36-D133 : G-C Ww/Ww pairing antiparallel cis XIX 
+B37-D132 : C-G Ww/Ww pairing antiparallel cis XIX 
+B38-B45 : T-A Ww/Ww pairing antiparallel cis 
+B39-C101 : A-A Hh/Hh pairing parallel trans II 
+B40-B44 : C-G Ww/Ww pairing antiparallel cis XIX 
+B41-B43 : A-C Ss/Hw pairing antiparallel trans one_hbond 72 
+B46-C109 : C-G Ww/Ww pairing antiparallel cis XIX 
+B47-C108 : T-A Ww/Ww pairing antiparallel cis 
+B48-C107 : C-G Ww/Ww pairing antiparallel cis XIX 
+B49-C106 : T-A Ww/Ww pairing antiparallel cis 
+B50-C105 : C-G Ww/Ww pairing antiparallel cis XIX 
+B51-C104 : T-A Ww/Ww pairing antiparallel cis 
+B52-C103 : C-G Ww/Ww pairing antiparallel cis XIX 
+B53-C102 : C-G Ww/Ww pairing antiparallel cis XIX 
+C110-D131 : A-G Ww/Ww pairing antiparallel cis VIII 
+C111-D130 : U-A Ww/Ww pairing antiparallel cis XX 
+C112-D129 : G-C Ww/Ww pairing antiparallel cis XIX 
+C113-D128 : G-C Ww/Ww pairing antiparallel cis XIX 
+C114-D127 : G-C Ww/Ww pairing antiparallel cis XIX 
+C115-D126 : U-A Ww/Ww pairing antiparallel cis XX 
+C116-D125 : G-C Ww/Ww pairing antiparallel cis XIX 
+C117-D124 : C-G Ww/Ww pairing antiparallel cis XIX 
+C118-D123 : G-C Ww/Ww pairing antiparallel cis XIX 
+C119-D122 : A-T Ww/Ww pairing antiparallel cis 
+C120-D121 : G-C Ww/Ww pairing antiparallel cis XIX 
+D138-D145 : T-A Ww/Ww pairing antiparallel cis 
+D140-D144 : C-G Ww/Ww pairing antiparallel cis XIX 
+D141-D143 : A-C Ss/Hw pairing antiparallel trans one_hbond 72