NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
570487 |
2m24   |
18894 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2m24
save_distance_constraint_statistics_1
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 1
_Distance_constraint_stats_list.Constraint_count 510
_Distance_constraint_stats_list.Viol_count 1624
_Distance_constraint_stats_list.Viol_total 3541.490
_Distance_constraint_stats_list.Viol_max 0.395
_Distance_constraint_stats_list.Viol_rms 0.0537
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0174
_Distance_constraint_stats_list.Viol_average_violations_only 0.1090
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 G 11.202 0.318 6 0 "[ . 1 . 2]"
1 2 G 7.464 0.318 6 0 "[ . 1 . 2]"
1 3 A 15.066 0.303 18 0 "[ . 1 . 2]"
1 4 G 16.805 0.364 8 0 "[ . 1 . 2]"
1 5 U 15.214 0.364 8 0 "[ . 1 . 2]"
1 6 A 5.955 0.231 4 0 "[ . 1 . 2]"
1 7 U 13.025 0.269 4 0 "[ . 1 . 2]"
1 8 G 24.201 0.298 18 0 "[ . 1 . 2]"
1 9 U 25.415 0.355 17 0 "[ . 1 . 2]"
1 10 A 12.441 0.355 17 0 "[ . 1 . 2]"
1 11 U 5.390 0.208 19 0 "[ . 1 . 2]"
1 12 U 4.116 0.200 11 0 "[ . 1 . 2]"
1 13 G 5.772 0.250 3 0 "[ . 1 . 2]"
1 14 G 1.519 0.087 19 0 "[ . 1 . 2]"
1 15 C 6.828 0.190 19 0 "[ . 1 . 2]"
1 16 A 7.841 0.190 19 0 "[ . 1 . 2]"
1 17 C 6.414 0.331 15 0 "[ . 1 . 2]"
1 18 U 1.892 0.201 16 0 "[ . 1 . 2]"
1 19 G 1.128 0.106 11 0 "[ . 1 . 2]"
1 20 A 8.206 0.247 18 0 "[ . 1 . 2]"
1 21 G 3.040 0.130 14 0 "[ . 1 . 2]"
1 22 C 9.590 0.255 15 0 "[ . 1 . 2]"
1 23 A 17.965 0.299 6 0 "[ . 1 . 2]"
1 24 U 17.721 0.299 6 0 "[ . 1 . 2]"
1 25 A 17.594 0.258 3 0 "[ . 1 . 2]"
1 26 C 13.459 0.395 15 0 "[ . 1 . 2]"
1 27 U 20.484 0.395 15 0 "[ . 1 . 2]"
1 28 C 17.506 0.290 15 0 "[ . 1 . 2]"
1 29 C 6.691 0.290 15 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 G H1' 1 1 G H8 3.800 . 4.500 3.594 3.541 3.660 . 0 0 "[ . 1 . 2]" 1
2 1 1 G H2' 1 1 G H8 3.800 . 4.500 4.203 3.903 4.411 . 0 0 "[ . 1 . 2]" 1
3 1 1 G H3' 1 1 G H8 3.800 . 4.500 3.566 3.295 3.795 . 0 0 "[ . 1 . 2]" 1
4 1 1 G H4' 1 1 G H8 5.000 3.000 6.000 4.250 3.986 4.557 . 0 0 "[ . 1 . 2]" 1
5 1 1 G H5'' 1 1 G H8 2.500 . 3.000 2.690 2.193 3.068 0.068 4 0 "[ . 1 . 2]" 1
6 1 1 G H1' 1 2 G H1' 5.000 3.000 6.000 6.062 6.023 6.084 0.084 17 0 "[ . 1 . 2]" 1
7 1 1 G H1' 1 2 G H8 3.800 . 4.500 4.495 3.982 4.818 0.318 6 0 "[ . 1 . 2]" 1
8 1 1 G H2' 1 2 G H1' 5.000 3.000 6.000 4.604 3.995 5.481 . 0 0 "[ . 1 . 2]" 1
9 1 1 G H2' 1 2 G H8 2.500 . 3.000 2.150 2.092 2.242 . 0 0 "[ . 1 . 2]" 1
10 1 1 G H3' 1 2 G H8 3.800 . 4.500 3.106 2.548 3.794 . 0 0 "[ . 1 . 2]" 1
11 1 1 G H8 1 2 G H8 5.000 3.000 6.000 5.860 5.490 6.144 0.144 19 0 "[ . 1 . 2]" 1
12 1 2 G H1' 1 2 G H8 3.800 . 4.500 3.668 3.653 3.698 . 0 0 "[ . 1 . 2]" 1
13 1 2 G H2' 1 2 G H8 3.800 . 4.500 4.171 4.079 4.214 . 0 0 "[ . 1 . 2]" 1
14 1 2 G H3' 1 2 G H8 2.500 . 3.000 2.991 2.813 3.077 0.077 16 0 "[ . 1 . 2]" 1
15 1 2 G H4' 1 2 G H8 5.000 3.000 6.000 4.004 3.916 4.098 . 0 0 "[ . 1 . 2]" 1
16 1 2 G H5'' 1 2 G H8 3.800 . 4.500 3.594 3.493 3.728 . 0 0 "[ . 1 . 2]" 1
17 1 2 G H1' 1 3 A H1' 5.000 3.000 6.000 5.388 5.045 5.654 . 0 0 "[ . 1 . 2]" 1
18 1 2 G H1' 1 3 A H8 5.000 3.000 6.000 4.891 4.851 4.929 . 0 0 "[ . 1 . 2]" 1
19 1 2 G H2' 1 3 A H1' 3.800 . 4.500 3.800 3.634 3.948 . 0 0 "[ . 1 . 2]" 1
20 1 2 G H2' 1 3 A H8 2.500 . 3.000 2.166 2.153 2.179 . 0 0 "[ . 1 . 2]" 1
21 1 2 G H3' 1 3 A H8 3.800 . 4.500 3.000 2.908 3.102 . 0 0 "[ . 1 . 2]" 1
22 1 2 G H8 1 3 A H8 5.000 3.000 6.000 5.431 5.191 5.611 . 0 0 "[ . 1 . 2]" 1
23 1 3 A H1' 1 3 A H8 3.800 . 4.500 3.702 3.692 3.719 . 0 0 "[ . 1 . 2]" 1
24 1 3 A H1' 1 3 A H2 5.000 3.000 6.000 4.811 4.787 4.829 . 0 0 "[ . 1 . 2]" 1
25 1 3 A H2' 1 3 A H8 3.800 . 4.500 4.136 4.096 4.160 . 0 0 "[ . 1 . 2]" 1
26 1 3 A H2 1 3 A H2' 5.000 3.000 6.000 4.737 4.692 4.791 . 0 0 "[ . 1 . 2]" 1
27 1 3 A H3' 1 3 A H8 2.500 . 3.000 2.793 2.721 2.851 . 0 0 "[ . 1 . 2]" 1
28 1 3 A H4' 1 3 A H8 5.000 3.000 6.000 4.049 3.995 4.114 . 0 0 "[ . 1 . 2]" 1
29 1 3 A H5' 1 3 A H8 3.800 . 4.500 3.254 3.138 3.389 . 0 0 "[ . 1 . 2]" 1
30 1 3 A H5'' 1 3 A H8 3.800 . 4.500 3.650 3.550 3.775 . 0 0 "[ . 1 . 2]" 1
31 1 3 A H1' 1 4 G H1' 5.000 3.000 6.000 4.885 4.785 4.957 . 0 0 "[ . 1 . 2]" 1
32 1 3 A H1' 1 4 G H8 3.800 . 4.500 4.270 4.233 4.316 . 0 0 "[ . 1 . 2]" 1
33 1 3 A H2' 1 4 G H1' 3.800 . 4.500 3.551 3.507 3.603 . 0 0 "[ . 1 . 2]" 1
34 1 3 A H2' 1 4 G H8 2.500 . 3.000 2.105 2.081 2.120 . 0 0 "[ . 1 . 2]" 1
35 1 3 A H3' 1 4 G H8 3.800 . 4.500 2.563 2.474 2.656 . 0 0 "[ . 1 . 2]" 1
36 1 3 A H2 1 4 G H1' 2.500 . 3.000 2.575 2.505 2.635 . 0 0 "[ . 1 . 2]" 1
37 1 3 A H2 1 4 G H2' 3.800 . 4.500 4.771 4.721 4.803 0.303 18 0 "[ . 1 . 2]" 1
38 1 3 A H2 1 4 G H8 5.000 3.000 6.000 4.667 4.588 4.763 . 0 0 "[ . 1 . 2]" 1
39 1 3 A H2 1 27 U H1' 5.000 3.000 6.000 5.391 5.310 5.486 . 0 0 "[ . 1 . 2]" 1
40 1 3 A H2 1 27 U H2' 5.000 3.000 6.000 5.668 5.621 5.702 . 0 0 "[ . 1 . 2]" 1
41 1 3 A H2 1 28 C H1' 3.800 . 4.500 3.695 3.595 3.791 . 0 0 "[ . 1 . 2]" 1
42 1 3 A H2 1 28 C H2' 5.000 3.000 6.000 6.130 6.063 6.171 0.171 17 0 "[ . 1 . 2]" 1
43 1 3 A H2 1 28 C H6 5.000 3.000 6.000 6.028 5.976 6.067 0.067 13 0 "[ . 1 . 2]" 1
44 1 3 A H8 1 4 G H8 5.000 3.000 6.000 4.061 3.951 4.174 . 0 0 "[ . 1 . 2]" 1
45 1 4 G H1' 1 4 G H8 3.800 . 4.500 3.631 3.621 3.642 . 0 0 "[ . 1 . 2]" 1
46 1 4 G H2' 1 4 G H8 3.800 . 4.500 4.184 4.159 4.207 . 0 0 "[ . 1 . 2]" 1
47 1 4 G H3' 1 4 G H8 2.500 . 3.000 3.159 3.136 3.200 0.200 7 0 "[ . 1 . 2]" 1
48 1 4 G H4' 1 4 G H8 3.800 . 4.500 4.390 4.374 4.402 . 0 0 "[ . 1 . 2]" 1
49 1 4 G H5'' 1 4 G H8 3.800 . 4.500 4.441 4.375 4.489 . 0 0 "[ . 1 . 2]" 1
50 1 4 G H1' 1 5 U H5 5.000 3.000 6.000 4.867 4.634 5.148 . 0 0 "[ . 1 . 2]" 1
51 1 4 G H1' 1 5 U H6 3.800 . 4.500 4.836 4.814 4.864 0.364 8 0 "[ . 1 . 2]" 1
52 1 4 G H2' 1 5 U H1' 3.800 . 4.500 4.283 4.100 4.473 . 0 0 "[ . 1 . 2]" 1
53 1 4 G H2' 1 5 U H5 3.800 . 4.500 2.843 2.661 2.979 . 0 0 "[ . 1 . 2]" 1
54 1 4 G H2' 1 5 U H6 2.500 . 3.000 2.068 2.044 2.091 . 0 0 "[ . 1 . 2]" 1
55 1 4 G H3' 1 5 U H5 2.500 . 3.000 2.620 2.506 2.774 . 0 0 "[ . 1 . 2]" 1
56 1 4 G H3' 1 5 U H6 2.500 . 3.000 3.061 3.021 3.113 0.113 15 0 "[ . 1 . 2]" 1
57 1 4 G H8 1 5 U H5 3.800 . 4.500 3.901 3.638 4.276 . 0 0 "[ . 1 . 2]" 1
58 1 4 G H8 1 5 U H6 5.000 3.000 6.000 5.463 5.357 5.576 . 0 0 "[ . 1 . 2]" 1
59 1 5 U H1' 1 5 U H5 5.000 3.000 6.000 5.278 5.264 5.304 . 0 0 "[ . 1 . 2]" 1
60 1 5 U H1' 1 5 U H6 3.800 . 4.500 3.536 3.509 3.579 . 0 0 "[ . 1 . 2]" 1
61 1 5 U H2' 1 5 U H5 5.000 3.000 6.000 5.496 5.435 5.538 . 0 0 "[ . 1 . 2]" 1
62 1 5 U H2' 1 5 U H6 3.800 . 4.500 4.008 3.917 4.064 . 0 0 "[ . 1 . 2]" 1
63 1 5 U H3' 1 5 U H5 3.800 . 4.500 4.472 4.364 4.534 0.034 10 0 "[ . 1 . 2]" 1
64 1 5 U H3' 1 5 U H6 2.500 . 3.000 2.763 2.595 2.844 . 0 0 "[ . 1 . 2]" 1
65 1 5 U H4' 1 5 U H6 5.000 3.000 6.000 3.872 3.838 3.913 . 0 0 "[ . 1 . 2]" 1
66 1 5 U H5'' 1 5 U H6 3.800 . 4.500 3.658 3.610 3.727 . 0 0 "[ . 1 . 2]" 1
67 1 5 U H1' 1 6 A H1' 5.000 3.000 6.000 6.035 5.960 6.070 0.070 8 0 "[ . 1 . 2]" 1
68 1 5 U H1' 1 6 A H8 5.000 3.000 6.000 4.874 4.842 4.908 . 0 0 "[ . 1 . 2]" 1
69 1 5 U H1' 1 25 A H2 5.000 3.000 6.000 4.701 4.429 4.990 . 0 0 "[ . 1 . 2]" 1
70 1 5 U H2' 1 6 A H1' 3.800 . 4.500 4.080 4.034 4.116 . 0 0 "[ . 1 . 2]" 1
71 1 5 U H2' 1 6 A H8 2.500 . 3.000 2.144 2.130 2.166 . 0 0 "[ . 1 . 2]" 1
72 1 5 U H2' 1 25 A H2 5.000 3.000 6.000 4.252 4.142 4.350 . 0 0 "[ . 1 . 2]" 1
73 1 5 U H3' 1 6 A H8 3.800 . 4.500 2.856 2.767 2.971 . 0 0 "[ . 1 . 2]" 1
74 1 5 U H3' 1 25 A H2 5.000 3.000 6.000 6.165 6.083 6.217 0.217 8 0 "[ . 1 . 2]" 1
75 1 5 U H6 1 6 A H8 5.000 3.000 6.000 5.146 4.849 5.404 . 0 0 "[ . 1 . 2]" 1
76 1 6 A H1' 1 6 A H8 3.800 . 4.500 3.734 3.724 3.747 . 0 0 "[ . 1 . 2]" 1
77 1 6 A H1' 1 6 A H2 3.800 . 4.500 4.709 4.683 4.731 0.231 4 0 "[ . 1 . 2]" 1
78 1 6 A H2' 1 6 A H8 3.800 . 4.500 4.098 4.044 4.147 . 0 0 "[ . 1 . 2]" 1
79 1 6 A H2 1 6 A H2' 5.000 3.000 6.000 4.701 4.629 4.757 . 0 0 "[ . 1 . 2]" 1
80 1 6 A H3' 1 6 A H8 2.500 . 3.000 2.829 2.799 2.882 . 0 0 "[ . 1 . 2]" 1
81 1 6 A H4' 1 6 A H8 5.000 3.000 6.000 4.116 4.015 4.193 . 0 0 "[ . 1 . 2]" 1
82 1 6 A H5'' 1 6 A H8 3.800 . 4.500 3.719 3.522 3.854 . 0 0 "[ . 1 . 2]" 1
83 1 6 A H1' 1 7 U H1' 5.000 3.000 6.000 5.832 5.572 6.021 0.021 10 0 "[ . 1 . 2]" 1
84 1 6 A H1' 1 25 A H2 3.800 . 4.500 4.100 3.881 4.258 . 0 0 "[ . 1 . 2]" 1
85 1 6 A H1' 1 7 U H5 5.000 3.000 6.000 5.338 5.070 5.505 . 0 0 "[ . 1 . 2]" 1
86 1 6 A H1' 1 7 U H6 5.000 3.000 6.000 4.778 4.697 4.860 . 0 0 "[ . 1 . 2]" 1
87 1 6 A H2' 1 25 A H2 5.000 3.000 6.000 5.928 5.775 6.016 0.016 12 0 "[ . 1 . 2]" 1
88 1 6 A H2' 1 7 U H5 3.800 . 4.500 3.436 3.120 3.672 . 0 0 "[ . 1 . 2]" 1
89 1 6 A H2' 1 7 U H6 3.800 . 4.500 2.128 2.117 2.138 . 0 0 "[ . 1 . 2]" 1
90 1 6 A H3' 1 7 U H5 2.500 . 3.000 2.858 2.601 3.024 0.024 5 0 "[ . 1 . 2]" 1
91 1 6 A H3' 1 7 U H6 3.800 . 4.500 3.007 2.706 3.336 . 0 0 "[ . 1 . 2]" 1
92 1 6 A H2 1 7 U H1' 3.800 . 4.500 3.746 3.406 4.260 . 0 0 "[ . 1 . 2]" 1
93 1 6 A H2 1 7 U H2' 6.000 4.000 7.000 6.081 5.856 6.351 . 0 0 "[ . 1 . 2]" 1
94 1 6 A H2 1 7 U H6 5.000 3.000 6.000 5.267 5.064 5.493 . 0 0 "[ . 1 . 2]" 1
95 1 6 A H2 1 23 A H2 5.000 3.000 6.000 5.331 5.173 5.487 . 0 0 "[ . 1 . 2]" 1
96 1 6 A H2 1 24 U H1' 5.000 3.000 6.000 4.504 4.277 4.887 . 0 0 "[ . 1 . 2]" 1
97 1 6 A H2 1 24 U H2' 5.000 3.000 6.000 4.628 4.372 4.937 . 0 0 "[ . 1 . 2]" 1
98 1 6 A H2 1 25 A H1' 3.800 . 4.500 3.654 3.298 4.001 . 0 0 "[ . 1 . 2]" 1
99 1 6 A H2 1 25 A H2 3.800 . 4.500 4.115 3.802 4.397 . 0 0 "[ . 1 . 2]" 1
100 1 6 A H2 1 25 A H2' 5.000 3.000 6.000 5.932 5.706 6.042 0.042 1 0 "[ . 1 . 2]" 1
101 1 6 A H2 1 25 A H8 5.000 3.000 6.000 5.169 4.837 5.509 . 0 0 "[ . 1 . 2]" 1
102 1 6 A H8 1 7 U H5 3.800 . 4.500 3.879 3.453 4.389 . 0 0 "[ . 1 . 2]" 1
103 1 6 A H8 1 7 U H6 5.000 3.000 6.000 5.057 4.758 5.478 . 0 0 "[ . 1 . 2]" 1
104 1 6 A H8 1 25 A H2 5.000 3.000 6.000 5.077 4.947 5.220 . 0 0 "[ . 1 . 2]" 1
105 1 7 U H1' 1 7 U H5 5.000 3.000 6.000 5.301 5.261 5.356 . 0 0 "[ . 1 . 2]" 1
106 1 7 U H1' 1 7 U H6 3.800 . 4.500 3.558 3.504 3.633 . 0 0 "[ . 1 . 2]" 1
107 1 7 U H2' 1 7 U H5 5.000 3.000 6.000 5.437 5.281 5.532 . 0 0 "[ . 1 . 2]" 1
108 1 7 U H2' 1 7 U H6 3.800 . 4.500 3.919 3.692 4.055 . 0 0 "[ . 1 . 2]" 1
109 1 7 U H3' 1 7 U H6 2.500 . 3.000 2.561 2.201 2.795 . 0 0 "[ . 1 . 2]" 1
110 1 7 U H4' 1 7 U H6 5.000 3.000 6.000 3.837 3.734 3.929 . 0 0 "[ . 1 . 2]" 1
111 1 7 U H5'' 1 7 U H6 3.800 . 4.500 3.636 3.451 3.783 . 0 0 "[ . 1 . 2]" 1
112 1 7 U H1' 1 8 G H1' 5.000 3.000 6.000 5.940 5.782 6.033 0.033 18 0 "[ . 1 . 2]" 1
113 1 7 U H1' 1 8 G H8 3.800 . 4.500 4.665 4.610 4.715 0.215 3 0 "[ . 1 . 2]" 1
114 1 7 U H1' 1 23 A H2 6.000 4.000 7.000 4.577 4.304 4.890 . 0 0 "[ . 1 . 2]" 1
115 1 7 U H2' 1 8 G H1' 3.800 . 4.500 4.211 4.041 4.410 . 0 0 "[ . 1 . 2]" 1
116 1 7 U H2' 1 8 G H8 2.500 . 3.000 2.077 2.055 2.105 . 0 0 "[ . 1 . 2]" 1
117 1 7 U H2' 1 23 A H2 6.000 4.000 7.000 4.279 4.163 4.415 . 0 0 "[ . 1 . 2]" 1
118 1 7 U H3' 1 8 G H8 3.800 . 4.500 3.098 2.882 3.320 . 0 0 "[ . 1 . 2]" 1
119 1 7 U H3' 1 23 A H2 5.000 3.000 6.000 6.228 6.188 6.269 0.269 4 0 "[ . 1 . 2]" 1
120 1 8 G H1' 1 8 G H8 3.800 . 4.500 3.749 3.696 3.805 . 0 0 "[ . 1 . 2]" 1
121 1 8 G H2' 1 8 G H8 3.800 . 4.500 3.912 3.721 4.062 . 0 0 "[ . 1 . 2]" 1
122 1 8 G H3' 1 8 G H8 2.500 . 3.000 2.706 2.440 2.962 . 0 0 "[ . 1 . 2]" 1
123 1 8 G H1' 1 9 U H1' 6.000 4.000 7.000 5.964 5.720 6.132 . 0 0 "[ . 1 . 2]" 1
124 1 8 G H1' 1 9 U H5 5.000 3.000 6.000 5.253 5.084 5.394 . 0 0 "[ . 1 . 2]" 1
125 1 8 G H1' 1 9 U H6 3.800 . 4.500 4.773 4.742 4.798 0.298 18 0 "[ . 1 . 2]" 1
126 1 8 G H1' 1 23 A H2 3.800 . 4.500 3.621 3.406 3.857 . 0 0 "[ . 1 . 2]" 1
127 1 8 G H2' 1 9 U H1' 3.800 . 4.500 4.374 4.254 4.475 . 0 0 "[ . 1 . 2]" 1
128 1 8 G H2' 1 9 U H5 2.500 . 3.000 3.120 3.091 3.170 0.170 13 0 "[ . 1 . 2]" 1
129 1 8 G H2' 1 9 U H6 2.500 . 3.000 2.051 2.037 2.063 . 0 0 "[ . 1 . 2]" 1
130 1 8 G H3' 1 23 A H2 5.000 3.000 6.000 6.227 6.161 6.288 0.288 17 0 "[ . 1 . 2]" 1
131 1 8 G H3' 1 9 U H5 2.500 . 3.000 3.199 3.139 3.267 0.267 6 0 "[ . 1 . 2]" 1
132 1 8 G H3' 1 9 U H6 3.800 . 4.500 3.380 3.266 3.442 . 0 0 "[ . 1 . 2]" 1
133 1 8 G H8 1 9 U H6 5.000 3.000 5.700 5.206 4.741 5.514 . 0 0 "[ . 1 . 2]" 1
134 1 8 G H2' 1 23 A H2 5.000 3.000 6.000 5.546 5.324 5.762 . 0 0 "[ . 1 . 2]" 1
135 1 8 G H8 1 23 A H2 5.000 3.000 6.000 4.460 4.409 4.502 . 0 0 "[ . 1 . 2]" 1
136 1 9 U H1' 1 9 U H5 5.000 3.000 6.000 5.370 5.342 5.393 . 0 0 "[ . 1 . 2]" 1
137 1 9 U H1' 1 9 U H6 3.800 . 4.500 3.640 3.597 3.671 . 0 0 "[ . 1 . 2]" 1
138 1 9 U H2' 1 9 U H5 5.000 3.000 6.000 5.202 5.074 5.338 . 0 0 "[ . 1 . 2]" 1
139 1 9 U H2' 1 9 U H6 3.800 . 4.500 3.635 3.493 3.814 . 0 0 "[ . 1 . 2]" 1
140 1 9 U H3' 1 9 U H5 5.000 3.000 6.000 4.445 4.324 4.722 . 0 0 "[ . 1 . 2]" 1
141 1 9 U H3' 1 9 U H6 2.500 . 3.000 2.500 2.342 2.731 . 0 0 "[ . 1 . 2]" 1
142 1 9 U H1' 1 10 A H8 3.800 . 4.500 4.780 4.695 4.855 0.355 17 0 "[ . 1 . 2]" 1
143 1 9 U H2' 1 10 A H1' 3.800 . 4.500 4.021 3.288 4.505 0.005 19 0 "[ . 1 . 2]" 1
144 1 9 U H2' 1 10 A H8 2.500 . 3.000 2.147 2.114 2.249 . 0 0 "[ . 1 . 2]" 1
145 1 9 U H3' 1 10 A H8 3.800 . 4.500 3.645 3.201 3.911 . 0 0 "[ . 1 . 2]" 1
146 1 9 U H6 1 10 A H8 5.000 3.000 6.000 5.276 4.902 5.679 . 0 0 "[ . 1 . 2]" 1
147 1 10 A H1' 1 10 A H8 3.800 . 4.500 3.773 3.738 3.816 . 0 0 "[ . 1 . 2]" 1
148 1 10 A H2' 1 10 A H8 3.800 3.100 4.300 3.294 3.043 3.782 0.057 19 0 "[ . 1 . 2]" 1
149 1 10 A H3' 1 10 A H8 3.800 . 4.500 4.471 3.022 4.707 0.207 17 0 "[ . 1 . 2]" 1
150 1 10 A H4' 1 10 A H8 5.000 3.000 6.000 4.233 4.042 4.527 . 0 0 "[ . 1 . 2]" 1
151 1 10 A H5' 1 10 A H8 3.800 . 4.500 3.883 3.647 4.337 . 0 0 "[ . 1 . 2]" 1
152 1 10 A H5'' 1 10 A H8 3.800 . 4.500 3.102 2.596 4.529 0.029 9 0 "[ . 1 . 2]" 1
153 1 10 A H1' 1 10 A H2 5.000 3.000 6.000 4.654 4.584 4.706 . 0 0 "[ . 1 . 2]" 1
154 1 10 A H1' 1 11 U H1' 5.000 3.000 6.000 4.830 4.312 5.305 . 0 0 "[ . 1 . 2]" 1
155 1 10 A H1' 1 11 U H6 3.800 . 4.500 3.253 2.489 4.527 0.027 14 0 "[ . 1 . 2]" 1
156 1 10 A H1' 1 12 U H5 6.000 4.000 7.000 6.976 6.704 7.117 0.117 6 0 "[ . 1 . 2]" 1
157 1 10 A H2' 1 11 U H1' 5.000 3.000 6.000 5.792 4.842 6.201 0.201 19 0 "[ . 1 . 2]" 1
158 1 10 A H2' 1 11 U H5 2.500 . 3.000 2.299 2.199 2.566 . 0 0 "[ . 1 . 2]" 1
159 1 10 A H2' 1 11 U H6 3.800 . 4.500 2.607 2.183 3.100 . 0 0 "[ . 1 . 2]" 1
160 1 10 A H3' 1 11 U H6 3.800 . 4.500 4.179 3.653 4.460 . 0 0 "[ . 1 . 2]" 1
161 1 10 A H4' 1 11 U H5 5.000 3.000 6.000 6.099 6.025 6.208 0.208 19 0 "[ . 1 . 2]" 1
162 1 10 A H2 1 11 U H1' 3.800 . 4.500 2.664 2.172 4.539 0.039 14 0 "[ . 1 . 2]" 1
163 1 10 A H2 1 20 A H2 3.800 . 4.500 3.794 2.983 4.333 . 0 0 "[ . 1 . 2]" 1
164 1 10 A H2 1 21 G H1' 5.000 3.000 6.000 4.245 3.871 4.609 . 0 0 "[ . 1 . 2]" 1
165 1 10 A H8 1 11 U H5 3.800 . 4.500 4.445 3.961 4.669 0.169 9 0 "[ . 1 . 2]" 1
166 1 10 A H8 1 11 U H6 5.000 3.000 6.000 5.209 4.838 5.889 . 0 0 "[ . 1 . 2]" 1
167 1 11 U H1' 1 11 U H6 3.800 . 4.500 3.508 3.313 3.665 . 0 0 "[ . 1 . 2]" 1
168 1 11 U H2' 1 11 U H6 5.000 3.000 6.000 3.624 2.834 4.282 0.166 13 0 "[ . 1 . 2]" 1
169 1 11 U H5'' 1 11 U H6 3.800 . 4.500 2.781 2.174 4.393 . 0 0 "[ . 1 . 2]" 1
170 1 11 U H1' 1 12 U H1' 5.000 3.000 6.000 5.511 4.396 6.046 0.046 19 0 "[ . 1 . 2]" 1
171 1 11 U H1' 1 12 U H5 5.000 3.000 6.000 5.056 4.093 6.007 0.007 17 0 "[ . 1 . 2]" 1
172 1 11 U H1' 1 12 U H6 5.000 3.000 6.000 4.141 3.072 4.921 . 0 0 "[ . 1 . 2]" 1
173 1 11 U H2' 1 12 U H1' 5.000 3.000 6.000 4.993 3.849 6.200 0.200 11 0 "[ . 1 . 2]" 1
174 1 11 U H2' 1 12 U H5 3.800 . 4.500 3.412 2.263 4.527 0.027 10 0 "[ . 1 . 2]" 1
175 1 11 U H2' 1 12 U H6 3.800 . 4.500 2.497 2.154 2.734 . 0 0 "[ . 1 . 2]" 1
176 1 11 U H5 1 12 U H5 3.800 . 4.500 3.862 2.595 4.521 0.021 13 0 "[ . 1 . 2]" 1
177 1 12 U H1' 1 12 U H5 5.000 3.000 6.000 5.299 5.231 5.377 . 0 0 "[ . 1 . 2]" 1
178 1 12 U H1' 1 12 U H6 3.800 . 4.500 3.544 3.443 3.663 . 0 0 "[ . 1 . 2]" 1
179 1 12 U H2' 1 12 U H6 3.800 . 4.500 3.828 3.296 4.093 . 0 0 "[ . 1 . 2]" 1
180 1 12 U H2' 1 12 U H5 5.000 3.000 6.000 5.317 4.932 5.523 . 0 0 "[ . 1 . 2]" 1
181 1 12 U H3' 1 12 U H5 5.000 3.000 6.000 4.638 4.233 4.784 . 0 0 "[ . 1 . 2]" 1
182 1 12 U H3' 1 12 U H6 2.500 . 3.000 2.830 2.319 3.136 0.136 17 0 "[ . 1 . 2]" 1
183 1 12 U H4' 1 12 U H6 5.000 3.000 6.000 3.991 3.865 4.131 . 0 0 "[ . 1 . 2]" 1
184 1 12 U H5'' 1 12 U H6 3.800 . 4.500 2.916 2.151 4.388 . 0 0 "[ . 1 . 2]" 1
185 1 12 U H1' 1 20 A H2 2.500 . 3.000 2.916 2.397 3.038 0.038 8 0 "[ . 1 . 2]" 1
186 1 12 U H1' 1 13 G H8 3.800 . 4.500 4.515 4.378 4.588 0.088 9 0 "[ . 1 . 2]" 1
187 1 12 U H2' 1 13 G H1' 3.800 . 4.500 4.432 3.988 4.609 0.109 16 0 "[ . 1 . 2]" 1
188 1 12 U H2' 1 13 G H8 3.800 . 4.500 2.339 2.185 2.873 . 0 0 "[ . 1 . 2]" 1
189 1 12 U H3' 1 13 G H8 3.800 . 4.500 3.965 2.579 4.487 . 0 0 "[ . 1 . 2]" 1
190 1 12 U H6 1 20 A H2 3.800 . 4.500 4.548 4.473 4.598 0.098 1 0 "[ . 1 . 2]" 1
191 1 13 G H1' 1 13 G H8 3.800 . 4.500 3.837 3.827 3.846 . 0 0 "[ . 1 . 2]" 1
192 1 13 G H2' 1 13 G H8 2.500 . 3.000 3.225 3.135 3.250 0.250 3 0 "[ . 1 . 2]" 1
193 1 13 G H3' 1 13 G H8 2.500 . 3.000 2.804 2.579 3.078 0.078 12 0 "[ . 1 . 2]" 1
194 1 13 G H4' 1 13 G H8 5.000 3.000 6.000 4.524 4.451 4.614 . 0 0 "[ . 1 . 2]" 1
195 1 13 G H1' 1 14 G H8 6.000 4.000 7.000 6.525 4.797 7.031 0.031 10 0 "[ . 1 . 2]" 1
196 1 13 G H2' 1 14 G H1' 5.000 3.000 6.000 4.306 2.997 5.921 0.003 16 0 "[ . 1 . 2]" 1
197 1 13 G H2' 1 14 G H8 3.800 . 4.500 3.969 2.333 4.519 0.019 7 0 "[ . 1 . 2]" 1
198 1 13 G H3' 1 14 G H8 3.800 . 4.500 3.681 2.847 4.491 . 0 0 "[ . 1 . 2]" 1
199 1 14 G H1' 1 14 G H8 3.800 . 4.500 3.780 3.701 3.831 . 0 0 "[ . 1 . 2]" 1
200 1 14 G H2' 1 14 G H8 3.800 3.100 4.300 3.817 3.617 4.054 . 0 0 "[ . 1 . 2]" 1
201 1 14 G H3' 1 14 G H8 2.500 . 3.000 2.633 2.312 3.027 0.027 11 0 "[ . 1 . 2]" 1
202 1 14 G H4' 1 14 G H8 5.000 3.000 6.000 4.060 3.907 4.218 . 0 0 "[ . 1 . 2]" 1
203 1 14 G H5'' 1 14 G H8 3.800 . 4.500 2.756 2.192 3.271 . 0 0 "[ . 1 . 2]" 1
204 1 14 G H1' 1 15 C H1' 5.000 3.000 6.000 5.320 4.270 6.060 0.060 12 0 "[ . 1 . 2]" 1
205 1 14 G H1' 1 15 C H5 5.000 3.000 6.000 5.888 5.313 6.075 0.075 19 0 "[ . 1 . 2]" 1
206 1 14 G H1' 1 15 C H6 5.000 3.000 6.000 4.889 4.500 5.188 . 0 0 "[ . 1 . 2]" 1
207 1 14 G H2' 1 15 C H1' 5.000 3.000 6.000 3.642 2.973 4.551 0.027 16 0 "[ . 1 . 2]" 1
208 1 14 G H2' 1 15 C H5 3.800 . 4.500 4.073 3.694 4.508 0.008 15 0 "[ . 1 . 2]" 1
209 1 14 G H2' 1 15 C H6 2.500 . 3.000 2.366 2.196 2.657 . 0 0 "[ . 1 . 2]" 1
210 1 14 G H3' 1 15 C H5 3.800 . 4.500 3.550 2.290 4.512 0.012 20 0 "[ . 1 . 2]" 1
211 1 14 G H3' 1 15 C H6 3.800 . 4.500 2.970 2.244 3.734 . 0 0 "[ . 1 . 2]" 1
212 1 14 G H8 1 15 C H5 6.000 4.000 7.000 3.995 3.913 4.142 0.087 19 0 "[ . 1 . 2]" 1
213 1 14 G H8 1 15 C H6 3.800 . 4.500 4.479 4.137 4.572 0.072 17 0 "[ . 1 . 2]" 1
214 1 15 C H1' 1 15 C H6 3.800 . 4.500 3.458 3.352 3.659 . 0 0 "[ . 1 . 2]" 1
215 1 15 C H2' 1 15 C H5 5.000 3.000 6.000 5.485 5.107 5.659 . 0 0 "[ . 1 . 2]" 1
216 1 15 C H2' 1 15 C H6 3.800 3.100 4.300 4.052 3.523 4.268 . 0 0 "[ . 1 . 2]" 1
217 1 15 C H3' 1 15 C H5 5.000 3.000 6.000 4.773 4.205 5.092 . 0 0 "[ . 1 . 2]" 1
218 1 15 C H4' 1 15 C H6 5.000 3.000 6.000 3.905 3.720 4.040 . 0 0 "[ . 1 . 2]" 1
219 1 15 C H5' 1 15 C H6 3.800 . 4.500 3.649 3.290 3.902 . 0 0 "[ . 1 . 2]" 1
220 1 15 C H5'' 1 15 C H6 3.800 . 4.500 2.802 2.187 3.324 . 0 0 "[ . 1 . 2]" 1
221 1 15 C H1' 1 16 A H1' 5.000 3.000 6.000 4.049 3.548 4.595 . 0 0 "[ . 1 . 2]" 1
222 1 15 C H1' 1 16 A H2 3.800 . 4.500 4.555 4.433 4.593 0.093 15 0 "[ . 1 . 2]" 1
223 1 15 C H1' 1 16 A H8 5.000 3.000 6.000 4.268 3.419 5.867 . 0 0 "[ . 1 . 2]" 1
224 1 15 C H2' 1 16 A H1' 5.000 3.000 6.000 5.613 2.993 6.161 0.161 10 0 "[ . 1 . 2]" 1
225 1 15 C H2' 1 16 A H8 3.800 . 4.500 4.326 2.791 4.690 0.190 19 0 "[ . 1 . 2]" 1
226 1 15 C H3' 1 16 A H8 5.000 3.000 6.000 4.799 3.950 5.294 . 0 0 "[ . 1 . 2]" 1
227 1 15 C H6 1 16 A H8 5.000 3.000 6.000 6.051 5.780 6.101 0.101 17 0 "[ . 1 . 2]" 1
228 1 16 A H1' 1 16 A H8 3.800 . 4.500 3.840 3.835 3.847 . 0 0 "[ . 1 . 2]" 1
229 1 16 A H1' 1 16 A H2 3.800 . 4.500 4.537 4.523 4.548 0.048 11 0 "[ . 1 . 2]" 1
230 1 16 A H2' 1 16 A H8 3.800 . 4.500 3.629 3.584 3.680 . 0 0 "[ . 1 . 2]" 1
231 1 16 A H2 1 16 A H2' 5.000 3.000 6.000 5.459 5.390 5.498 . 0 0 "[ . 1 . 2]" 1
232 1 16 A H3' 1 16 A H8 2.500 . 3.000 2.369 2.316 2.435 . 0 0 "[ . 1 . 2]" 1
233 1 16 A H4' 1 16 A H8 5.000 3.000 6.000 4.090 3.963 4.169 . 0 0 "[ . 1 . 2]" 1
234 1 16 A H5' 1 16 A H8 3.800 . 4.500 3.865 3.701 3.993 . 0 0 "[ . 1 . 2]" 1
235 1 16 A H5'' 1 16 A H8 3.800 . 4.500 2.359 2.186 2.780 . 0 0 "[ . 1 . 2]" 1
236 1 16 A H1' 1 17 C H1' 5.000 3.000 6.000 4.592 4.281 5.357 . 0 0 "[ . 1 . 2]" 1
237 1 16 A H1' 1 17 C H5 5.000 3.000 6.000 5.938 5.692 6.123 0.123 15 0 "[ . 1 . 2]" 1
238 1 16 A H1' 1 17 C H6 6.000 4.000 7.000 4.898 4.775 5.381 . 0 0 "[ . 1 . 2]" 1
239 1 16 A H2' 1 17 C H1' 3.800 . 4.500 3.708 3.540 4.145 . 0 0 "[ . 1 . 2]" 1
240 1 16 A H2' 1 17 C H5 3.800 . 4.500 4.013 3.774 4.414 . 0 0 "[ . 1 . 2]" 1
241 1 16 A H2' 1 17 C H6 3.800 . 4.500 2.368 2.194 2.963 . 0 0 "[ . 1 . 2]" 1
242 1 16 A H3' 1 17 C H5 3.800 . 4.500 4.020 3.813 4.292 . 0 0 "[ . 1 . 2]" 1
243 1 16 A H3' 1 17 C H6 3.800 . 4.500 3.517 3.395 3.802 . 0 0 "[ . 1 . 2]" 1
244 1 16 A H2 1 17 C H1' 3.800 . 4.500 3.760 3.348 4.232 . 0 0 "[ . 1 . 2]" 1
245 1 16 A H2 1 17 C H6 5.000 3.000 6.000 5.997 5.833 6.138 0.138 15 0 "[ . 1 . 2]" 1
246 1 16 A H8 1 17 C H5 6.000 4.000 7.000 3.989 3.920 4.085 0.080 15 0 "[ . 1 . 2]" 1
247 1 16 A H8 1 17 C H6 3.800 . 4.500 4.540 4.512 4.629 0.129 15 0 "[ . 1 . 2]" 1
248 1 17 C H1' 1 17 C H6 3.800 . 4.500 3.676 3.656 3.681 . 0 0 "[ . 1 . 2]" 1
249 1 17 C H2' 1 17 C H5 5.000 3.000 6.000 4.830 4.805 4.917 . 0 0 "[ . 1 . 2]" 1
250 1 17 C H2' 1 17 C H6 2.500 . 3.000 3.193 3.161 3.331 0.331 15 0 "[ . 1 . 2]" 1
251 1 17 C H3' 1 17 C H6 2.500 . 3.000 2.428 2.286 2.534 . 0 0 "[ . 1 . 2]" 1
252 1 17 C H5'' 1 17 C H6 3.800 . 4.500 4.014 2.418 4.343 . 0 0 "[ . 1 . 2]" 1
253 1 17 C H1' 1 18 U H6 5.000 3.000 6.000 5.415 4.718 5.899 . 0 0 "[ . 1 . 2]" 1
254 1 17 C H2' 1 18 U H1' 3.800 . 4.500 4.135 2.611 4.701 0.201 16 0 "[ . 1 . 2]" 1
255 1 17 C H2' 1 18 U H5 3.800 . 4.500 4.040 2.750 4.515 0.015 4 0 "[ . 1 . 2]" 1
256 1 17 C H2' 1 18 U H6 5.000 3.000 6.000 3.123 2.929 3.888 0.071 8 0 "[ . 1 . 2]" 1
257 1 17 C H3' 1 18 U H6 3.800 . 4.500 4.019 3.144 4.570 0.070 5 0 "[ . 1 . 2]" 1
258 1 17 C H6 1 18 U H6 5.000 3.000 6.000 5.641 4.653 6.035 0.035 15 0 "[ . 1 . 2]" 1
259 1 18 U H1' 1 18 U H6 3.800 . 4.500 3.563 3.372 3.675 . 0 0 "[ . 1 . 2]" 1
260 1 18 U H2' 1 18 U H5 5.000 3.000 6.000 5.099 4.806 5.638 . 0 0 "[ . 1 . 2]" 1
261 1 18 U H2' 1 18 U H6 3.800 3.100 4.300 3.498 3.050 4.244 0.050 17 0 "[ . 1 . 2]" 1
262 1 18 U H3' 1 18 U H6 3.800 . 4.500 3.784 2.196 4.638 0.138 8 0 "[ . 1 . 2]" 1
263 1 18 U H4' 1 18 U H6 5.000 3.000 6.000 3.977 3.745 4.118 . 0 0 "[ . 1 . 2]" 1
264 1 18 U H5'' 1 18 U H6 3.800 . 4.500 2.893 2.185 3.944 . 0 0 "[ . 1 . 2]" 1
265 1 18 U H1' 1 19 G H1' 5.000 3.000 6.000 5.083 3.919 6.024 0.024 13 0 "[ . 1 . 2]" 1
266 1 18 U H1' 1 19 G H8 5.000 3.000 6.000 4.620 2.979 5.743 0.021 14 0 "[ . 1 . 2]" 1
267 1 18 U H2' 1 19 G H8 3.800 . 4.500 3.862 2.579 4.542 0.042 11 0 "[ . 1 . 2]" 1
268 1 18 U H3' 1 19 G H8 3.800 . 4.500 4.149 3.352 4.549 0.049 1 0 "[ . 1 . 2]" 1
269 1 19 G H1' 1 19 G H8 3.800 . 4.500 3.778 3.688 3.831 . 0 0 "[ . 1 . 2]" 1
270 1 19 G H2' 1 19 G H8 3.800 . 4.500 3.814 3.606 4.113 . 0 0 "[ . 1 . 2]" 1
271 1 19 G H3' 1 19 G H8 2.500 . 3.000 2.665 2.352 3.009 0.009 8 0 "[ . 1 . 2]" 1
272 1 19 G H4' 1 19 G H8 5.000 3.000 6.000 4.110 3.950 4.223 . 0 0 "[ . 1 . 2]" 1
273 1 19 G H1' 1 20 A H1' 5.000 3.000 6.000 5.772 4.899 6.081 0.081 13 0 "[ . 1 . 2]" 1
274 1 19 G H1' 1 20 A H8 3.800 . 4.500 4.080 3.117 4.599 0.099 12 0 "[ . 1 . 2]" 1
275 1 19 G H2' 1 20 A H1' 5.000 3.000 6.000 5.067 3.639 6.015 0.015 9 0 "[ . 1 . 2]" 1
276 1 19 G H2' 1 20 A H8 2.500 . 3.000 2.293 2.177 2.477 . 0 0 "[ . 1 . 2]" 1
277 1 19 G H3' 1 20 A H8 3.800 . 4.500 4.254 3.799 4.554 0.054 14 0 "[ . 1 . 2]" 1
278 1 19 G H8 1 20 A H8 5.000 3.000 6.000 5.697 4.886 6.106 0.106 11 0 "[ . 1 . 2]" 1
279 1 20 A H1' 1 20 A H2 3.800 . 4.500 4.709 4.631 4.747 0.247 18 0 "[ . 1 . 2]" 1
280 1 20 A H1' 1 20 A H8 3.800 . 4.500 3.727 3.701 3.782 . 0 0 "[ . 1 . 2]" 1
281 1 20 A H2' 1 20 A H8 3.800 . 4.500 4.062 3.874 4.135 . 0 0 "[ . 1 . 2]" 1
282 1 20 A H3' 1 20 A H8 2.500 . 3.000 2.987 2.734 3.107 0.107 8 0 "[ . 1 . 2]" 1
283 1 20 A H4' 1 20 A H8 5.000 3.000 6.000 4.209 4.043 4.310 . 0 0 "[ . 1 . 2]" 1
284 1 20 A H5'' 1 20 A H8 3.800 . 4.500 2.856 2.187 4.170 . 0 0 "[ . 1 . 2]" 1
285 1 20 A H2 1 21 G H1' 3.800 . 4.500 3.421 3.351 3.710 . 0 0 "[ . 1 . 2]" 1
286 1 20 A H2 1 21 G H2' 5.000 3.000 6.000 6.075 6.022 6.130 0.130 14 0 "[ . 1 . 2]" 1
287 1 20 A H1' 1 21 G H1' 5.000 3.000 6.000 5.590 4.879 6.059 0.059 13 0 "[ . 1 . 2]" 1
288 1 20 A H1' 1 21 G H8 5.000 3.000 6.000 4.923 4.837 5.094 . 0 0 "[ . 1 . 2]" 1
289 1 20 A H2' 1 21 G H1' 5.000 3.000 6.000 3.983 3.505 4.463 . 0 0 "[ . 1 . 2]" 1
290 1 20 A H2' 1 21 G H8 3.800 . 4.500 2.196 2.166 2.318 . 0 0 "[ . 1 . 2]" 1
291 1 20 A H3' 1 21 G H8 3.800 . 4.500 3.075 2.512 3.401 . 0 0 "[ . 1 . 2]" 1
292 1 21 G H1' 1 21 G H8 3.800 . 4.500 3.702 3.651 3.746 . 0 0 "[ . 1 . 2]" 1
293 1 21 G H2' 1 21 G H8 3.800 . 4.500 4.090 3.940 4.198 . 0 0 "[ . 1 . 2]" 1
294 1 21 G H3' 1 21 G H8 2.500 . 3.000 2.812 2.625 3.024 0.024 14 0 "[ . 1 . 2]" 1
295 1 21 G H1' 1 22 C H1' 5.000 3.000 6.000 5.274 4.928 5.733 . 0 0 "[ . 1 . 2]" 1
296 1 21 G H1' 1 22 C H6 3.800 . 4.500 4.479 4.338 4.542 0.042 13 0 "[ . 1 . 2]" 1
297 1 21 G H2' 1 22 C H1' 3.800 . 4.500 3.636 3.501 3.837 . 0 0 "[ . 1 . 2]" 1
298 1 21 G H2' 1 22 C H5 3.800 . 4.500 4.227 4.016 4.320 . 0 0 "[ . 1 . 2]" 1
299 1 21 G H2' 1 22 C H6 2.500 . 3.000 2.148 2.114 2.165 . 0 0 "[ . 1 . 2]" 1
300 1 21 G H3' 1 22 C H5 3.800 . 4.500 3.543 3.345 3.709 . 0 0 "[ . 1 . 2]" 1
301 1 21 G H3' 1 22 C H6 3.800 . 4.500 2.657 2.545 2.772 . 0 0 "[ . 1 . 2]" 1
302 1 21 G H8 1 22 C H5 3.800 . 4.500 3.815 3.353 4.164 . 0 0 "[ . 1 . 2]" 1
303 1 21 G H8 1 22 C H6 3.800 . 4.500 4.258 3.978 4.522 0.022 8 0 "[ . 1 . 2]" 1
304 1 22 C H1' 1 22 C H6 3.800 . 4.500 3.462 3.425 3.501 . 0 0 "[ . 1 . 2]" 1
305 1 22 C H2' 1 22 C H5 5.000 3.000 6.000 5.447 5.397 5.488 . 0 0 "[ . 1 . 2]" 1
306 1 22 C H2' 1 22 C H6 6.000 4.000 7.000 4.068 4.001 4.126 . 0 0 "[ . 1 . 2]" 1
307 1 22 C H3' 1 22 C H5 5.000 3.000 6.000 4.828 4.751 4.943 . 0 0 "[ . 1 . 2]" 1
308 1 22 C H3' 1 22 C H6 3.800 . 4.500 3.124 3.002 3.227 . 0 0 "[ . 1 . 2]" 1
309 1 22 C H4' 1 22 C H6 5.000 3.000 6.000 4.180 4.148 4.216 . 0 0 "[ . 1 . 2]" 1
310 1 22 C H1' 1 23 A H1' 5.000 3.000 6.000 6.010 5.850 6.084 0.084 10 0 "[ . 1 . 2]" 1
311 1 22 C H1' 1 23 A H8 3.800 . 4.500 4.506 4.452 4.561 0.061 12 0 "[ . 1 . 2]" 1
312 1 22 C H2' 1 23 A H1' 3.800 . 4.500 4.224 4.115 4.283 . 0 0 "[ . 1 . 2]" 1
313 1 22 C H2' 1 23 A H8 2.500 . 3.000 2.138 2.129 2.150 . 0 0 "[ . 1 . 2]" 1
314 1 22 C H3' 1 23 A H8 3.800 . 4.500 3.011 2.889 3.102 . 0 0 "[ . 1 . 2]" 1
315 1 22 C H6 1 23 A H8 5.000 3.000 6.000 4.442 4.349 4.534 . 0 0 "[ . 1 . 2]" 1
316 1 23 A H1' 1 23 A H2 5.000 3.000 6.000 4.834 4.798 4.861 . 0 0 "[ . 1 . 2]" 1
317 1 23 A H1' 1 23 A H8 3.800 . 4.500 3.677 3.661 3.694 . 0 0 "[ . 1 . 2]" 1
318 1 23 A H2 1 23 A H2' 5.000 3.000 6.000 4.689 4.615 4.750 . 0 0 "[ . 1 . 2]" 1
319 1 23 A H2' 1 23 A H8 3.800 . 4.500 4.061 4.009 4.098 . 0 0 "[ . 1 . 2]" 1
320 1 23 A H3' 1 23 A H8 2.500 . 3.000 3.087 3.066 3.120 0.120 12 0 "[ . 1 . 2]" 1
321 1 23 A H4' 1 23 A H8 5.000 3.000 6.000 4.371 4.347 4.386 . 0 0 "[ . 1 . 2]" 1
322 1 23 A H5'' 1 23 A H8 3.800 . 4.500 4.483 4.406 4.527 0.027 16 0 "[ . 1 . 2]" 1
323 1 23 A H1' 1 24 U H1' 6.000 4.000 7.000 6.139 5.882 6.376 . 0 0 "[ . 1 . 2]" 1
324 1 23 A H1' 1 24 U H5 5.000 3.000 6.000 5.367 5.129 5.655 . 0 0 "[ . 1 . 2]" 1
325 1 23 A H1' 1 24 U H6 5.000 3.000 6.000 4.906 4.839 4.948 . 0 0 "[ . 1 . 2]" 1
326 1 23 A H2' 1 24 U H1' 3.800 . 4.500 4.346 4.183 4.454 . 0 0 "[ . 1 . 2]" 1
327 1 23 A H2' 1 24 U H5 3.800 . 4.500 3.222 3.079 3.423 . 0 0 "[ . 1 . 2]" 1
328 1 23 A H2' 1 24 U H6 2.500 . 3.000 2.141 2.120 2.161 . 0 0 "[ . 1 . 2]" 1
329 1 23 A H3' 1 24 U H5 2.500 . 3.000 3.089 3.045 3.128 0.128 15 0 "[ . 1 . 2]" 1
330 1 23 A H3' 1 24 U H6 3.800 . 4.500 3.279 2.990 3.460 . 0 0 "[ . 1 . 2]" 1
331 1 23 A H2 1 24 U H1' 3.800 . 4.500 3.800 3.588 3.995 . 0 0 "[ . 1 . 2]" 1
332 1 23 A H2 1 24 U H2' 5.000 3.000 6.000 6.203 6.082 6.299 0.299 6 0 "[ . 1 . 2]" 1
333 1 23 A H2 1 24 U H6 5.000 3.000 6.000 5.259 5.107 5.434 . 0 0 "[ . 1 . 2]" 1
334 1 23 A H8 1 24 U H5 3.800 . 4.500 4.134 3.509 4.551 0.051 12 0 "[ . 1 . 2]" 1
335 1 23 A H8 1 24 U H6 5.000 3.000 6.000 5.351 4.893 5.627 . 0 0 "[ . 1 . 2]" 1
336 1 24 U H1' 1 24 U H5 5.000 3.000 6.000 5.331 5.275 5.369 . 0 0 "[ . 1 . 2]" 1
337 1 24 U H1' 1 24 U H6 3.800 . 4.500 3.615 3.555 3.647 . 0 0 "[ . 1 . 2]" 1
338 1 24 U H2' 1 24 U H6 3.800 . 4.500 3.723 3.638 3.876 . 0 0 "[ . 1 . 2]" 1
339 1 24 U H3' 1 24 U H5 5.000 3.000 6.000 4.362 4.133 4.628 . 0 0 "[ . 1 . 2]" 1
340 1 24 U H3' 1 24 U H6 2.500 . 3.000 2.439 2.235 2.731 . 0 0 "[ . 1 . 2]" 1
341 1 24 U H4' 1 24 U H6 5.000 3.000 6.000 3.821 3.715 3.952 . 0 0 "[ . 1 . 2]" 1
342 1 24 U H1' 1 25 A H1' 5.000 3.000 6.000 5.790 5.269 6.064 0.064 5 0 "[ . 1 . 2]" 1
343 1 24 U H1' 1 25 A H8 3.800 . 4.500 4.727 4.687 4.758 0.258 3 0 "[ . 1 . 2]" 1
344 1 24 U H2' 1 25 A H1' 3.800 . 4.500 4.204 3.960 4.393 . 0 0 "[ . 1 . 2]" 1
345 1 24 U H2' 1 25 A H8 2.500 . 3.000 2.088 2.074 2.098 . 0 0 "[ . 1 . 2]" 1
346 1 24 U H3' 1 25 A H8 3.800 . 4.500 3.056 2.821 3.145 . 0 0 "[ . 1 . 2]" 1
347 1 24 U H5 1 25 A H8 5.000 3.000 6.000 5.544 5.317 5.733 . 0 0 "[ . 1 . 2]" 1
348 1 24 U H6 1 25 A H8 3.800 . 4.500 4.607 4.456 4.707 0.207 4 0 "[ . 1 . 2]" 1
349 1 25 A H1' 1 25 A H2 3.800 . 4.500 4.582 4.567 4.607 0.107 3 0 "[ . 1 . 2]" 1
350 1 25 A H1' 1 25 A H8 3.800 . 4.500 3.822 3.806 3.832 . 0 0 "[ . 1 . 2]" 1
351 1 25 A H2 1 25 A H2' 5.000 3.000 6.000 5.301 5.208 5.397 . 0 0 "[ . 1 . 2]" 1
352 1 25 A H2' 1 25 A H8 3.800 . 4.500 3.742 3.699 3.832 . 0 0 "[ . 1 . 2]" 1
353 1 25 A H3' 1 25 A H8 2.500 . 3.000 2.440 2.390 2.567 . 0 0 "[ . 1 . 2]" 1
354 1 25 A H5'' 1 25 A H8 3.800 . 4.500 4.000 3.882 4.151 . 0 0 "[ . 1 . 2]" 1
355 1 25 A H1' 1 26 C H1' 5.000 3.000 6.000 5.058 4.766 5.334 . 0 0 "[ . 1 . 2]" 1
356 1 25 A H1' 1 26 C H6 3.800 . 4.500 4.680 4.654 4.700 0.200 8 0 "[ . 1 . 2]" 1
357 1 25 A H2' 1 26 C H1' 3.800 . 4.500 3.848 3.681 4.002 . 0 0 "[ . 1 . 2]" 1
358 1 25 A H2' 1 26 C H5 3.800 . 4.500 3.691 3.616 3.784 . 0 0 "[ . 1 . 2]" 1
359 1 25 A H2' 1 26 C H6 2.500 . 3.000 2.099 2.076 2.109 . 0 0 "[ . 1 . 2]" 1
360 1 25 A H3' 1 26 C H5 3.800 . 4.500 3.788 3.554 3.978 . 0 0 "[ . 1 . 2]" 1
361 1 25 A H3' 1 26 C H6 3.800 . 4.500 3.329 3.209 3.435 . 0 0 "[ . 1 . 2]" 1
362 1 25 A H2 1 26 C H1' 3.800 . 4.500 4.214 3.977 4.505 0.005 16 0 "[ . 1 . 2]" 1
363 1 25 A H2 1 26 C H2' 6.000 4.000 7.000 6.462 6.281 6.715 . 0 0 "[ . 1 . 2]" 1
364 1 25 A H2 1 26 C H6 5.000 3.000 6.000 5.740 5.636 5.896 . 0 0 "[ . 1 . 2]" 1
365 1 25 A H8 1 26 C H5 5.000 3.000 6.000 3.851 3.630 4.128 . 0 0 "[ . 1 . 2]" 1
366 1 25 A H8 1 26 C H6 3.800 . 4.500 4.581 4.518 4.676 0.176 4 0 "[ . 1 . 2]" 1
367 1 26 C H1' 1 26 C H5 5.000 3.000 6.000 5.335 5.323 5.350 . 0 0 "[ . 1 . 2]" 1
368 1 26 C H1' 1 26 C H6 3.800 . 4.500 3.624 3.605 3.643 . 0 0 "[ . 1 . 2]" 1
369 1 26 C H2' 1 26 C H5 5.000 3.000 6.000 5.237 5.188 5.295 . 0 0 "[ . 1 . 2]" 1
370 1 26 C H2' 1 26 C H6 3.800 . 4.500 3.652 3.584 3.739 . 0 0 "[ . 1 . 2]" 1
371 1 26 C H3' 1 26 C H5 3.800 . 4.500 4.524 4.474 4.554 0.054 9 0 "[ . 1 . 2]" 1
372 1 26 C H3' 1 26 C H6 2.500 . 3.000 2.490 2.399 2.566 . 0 0 "[ . 1 . 2]" 1
373 1 26 C H4' 1 26 C H6 5.000 3.000 6.000 4.069 4.044 4.093 . 0 0 "[ . 1 . 2]" 1
374 1 26 C H5'' 1 26 C H6 3.800 . 4.500 4.114 4.007 4.211 . 0 0 "[ . 1 . 2]" 1
375 1 26 C H1' 1 27 U H1' 5.000 3.000 6.000 5.209 5.009 5.336 . 0 0 "[ . 1 . 2]" 1
376 1 26 C H1' 1 27 U H6 3.800 . 4.500 4.474 4.446 4.501 0.001 7 0 "[ . 1 . 2]" 1
377 1 26 C H2' 1 27 U H1' 3.800 . 4.500 3.765 3.688 3.867 . 0 0 "[ . 1 . 2]" 1
378 1 26 C H2' 1 27 U H5 3.800 . 4.500 3.932 3.852 4.005 . 0 0 "[ . 1 . 2]" 1
379 1 26 C H2' 1 27 U H6 2.500 . 3.000 2.079 2.066 2.097 . 0 0 "[ . 1 . 2]" 1
380 1 26 C H3' 1 27 U H5 3.800 . 4.500 3.905 3.789 4.002 . 0 0 "[ . 1 . 2]" 1
381 1 26 C H3' 1 27 U H6 3.800 . 4.500 3.097 3.018 3.189 . 0 0 "[ . 1 . 2]" 1
382 1 26 C H5 1 27 U H5 2.500 . 3.000 2.758 2.703 2.810 . 0 0 "[ . 1 . 2]" 1
383 1 26 C H6 1 27 U H5 2.500 . 3.000 3.369 3.340 3.395 0.395 15 0 "[ . 1 . 2]" 1
384 1 26 C H6 1 27 U H6 3.800 . 4.500 3.955 3.831 4.045 . 0 0 "[ . 1 . 2]" 1
385 1 27 U H1' 1 27 U H5 5.000 3.000 6.000 5.299 5.290 5.305 . 0 0 "[ . 1 . 2]" 1
386 1 27 U H1' 1 27 U H6 3.800 . 4.500 3.574 3.563 3.581 . 0 0 "[ . 1 . 2]" 1
387 1 27 U H2' 1 27 U H5 5.000 3.000 6.000 5.177 5.155 5.208 . 0 0 "[ . 1 . 2]" 1
388 1 27 U H2' 1 27 U H6 3.800 . 4.500 3.629 3.604 3.662 . 0 0 "[ . 1 . 2]" 1
389 1 27 U H3' 1 27 U H5 5.000 3.000 6.000 5.174 5.131 5.217 . 0 0 "[ . 1 . 2]" 1
390 1 27 U H3' 1 27 U H6 2.500 . 3.000 3.123 3.093 3.154 0.154 6 0 "[ . 1 . 2]" 1
391 1 27 U H4' 1 27 U H6 5.000 3.000 6.000 4.261 4.231 4.287 . 0 0 "[ . 1 . 2]" 1
392 1 27 U H5'' 1 27 U H6 3.800 . 4.500 4.524 4.487 4.549 0.049 10 0 "[ . 1 . 2]" 1
393 1 27 U H1' 1 28 C H1' 6.000 4.000 7.000 5.441 5.287 5.570 . 0 0 "[ . 1 . 2]" 1
394 1 27 U H1' 1 28 C H5 5.000 3.000 6.000 5.557 5.478 5.649 . 0 0 "[ . 1 . 2]" 1
395 1 27 U H1' 1 28 C H6 3.800 . 4.500 4.669 4.645 4.686 0.186 17 0 "[ . 1 . 2]" 1
396 1 27 U H2' 1 28 C H1' 3.800 . 4.500 4.509 4.440 4.558 0.058 17 0 "[ . 1 . 2]" 1
397 1 27 U H2' 1 28 C H5 3.800 . 4.500 2.740 2.674 2.828 . 0 0 "[ . 1 . 2]" 1
398 1 27 U H2' 1 28 C H6 3.800 . 4.500 2.151 2.142 2.164 . 0 0 "[ . 1 . 2]" 1
399 1 27 U H3' 1 28 C H5 3.800 . 4.500 3.601 3.507 3.735 . 0 0 "[ . 1 . 2]" 1
400 1 27 U H3' 1 28 C H6 3.800 . 4.500 3.700 3.674 3.729 . 0 0 "[ . 1 . 2]" 1
401 1 27 U H5 1 28 C H5 5.000 3.000 6.000 5.746 5.604 5.910 . 0 0 "[ . 1 . 2]" 1
402 1 28 C H1' 1 28 C H6 3.800 . 4.500 3.589 3.574 3.600 . 0 0 "[ . 1 . 2]" 1
403 1 28 C H2' 1 28 C H5 5.000 3.000 6.000 5.337 5.314 5.358 . 0 0 "[ . 1 . 2]" 1
404 1 28 C H2' 1 28 C H6 3.800 . 4.500 3.808 3.783 3.836 . 0 0 "[ . 1 . 2]" 1
405 1 28 C H3' 1 28 C H6 2.500 . 3.000 2.531 2.471 2.626 . 0 0 "[ . 1 . 2]" 1
406 1 28 C H4' 1 28 C H6 5.000 3.000 6.000 3.806 3.773 3.839 . 0 0 "[ . 1 . 2]" 1
407 1 28 C H5'' 1 28 C H6 3.800 . 4.500 3.569 3.515 3.628 . 0 0 "[ . 1 . 2]" 1
408 1 28 C H1' 1 29 C H1' 3.800 . 4.500 4.289 4.135 4.531 0.031 17 0 "[ . 1 . 2]" 1
409 1 28 C H1' 1 29 C H6 3.800 . 4.500 4.755 4.722 4.790 0.290 15 0 "[ . 1 . 2]" 1
410 1 28 C H2' 1 29 C H1' 3.800 . 4.500 2.728 2.608 2.924 . 0 0 "[ . 1 . 2]" 1
411 1 28 C H2' 1 29 C H5 3.800 . 4.500 3.942 3.830 4.028 . 0 0 "[ . 1 . 2]" 1
412 1 28 C H2' 1 29 C H6 2.500 . 3.000 2.115 2.097 2.140 . 0 0 "[ . 1 . 2]" 1
413 1 28 C H3' 1 29 C H6 3.800 . 4.500 2.466 2.305 2.581 . 0 0 "[ . 1 . 2]" 1
414 1 28 C H5 1 29 C H5 3.800 . 4.500 4.066 3.783 4.378 . 0 0 "[ . 1 . 2]" 1
415 1 28 C H6 1 29 C H5 3.800 . 4.500 4.037 3.803 4.225 . 0 0 "[ . 1 . 2]" 1
416 1 28 C H6 1 29 C H6 3.800 . 4.500 4.421 4.246 4.522 0.022 13 0 "[ . 1 . 2]" 1
417 1 29 C H1' 1 29 C H5 5.000 3.000 6.000 5.261 5.247 5.273 . 0 0 "[ . 1 . 2]" 1
418 1 29 C H1' 1 29 C H6 3.800 . 4.500 3.490 3.474 3.508 . 0 0 "[ . 1 . 2]" 1
419 1 29 C H2' 1 29 C H5 5.000 3.000 6.000 5.449 5.410 5.481 . 0 0 "[ . 1 . 2]" 1
420 1 29 C H2' 1 29 C H6 3.800 . 4.500 4.019 3.974 4.055 . 0 0 "[ . 1 . 2]" 1
421 1 29 C H3' 1 29 C H6 2.500 . 3.000 3.041 3.000 3.083 0.083 14 0 "[ . 1 . 2]" 1
422 1 29 C H4' 1 29 C H5 6.000 4.000 7.000 6.410 6.324 6.456 . 0 0 "[ . 1 . 2]" 1
423 1 29 C H4' 1 29 C H6 3.800 . 4.500 4.004 3.924 4.043 . 0 0 "[ . 1 . 2]" 1
424 1 1 G H1 1 2 G H1' 6.000 4.000 7.000 6.530 6.070 7.024 0.024 18 0 "[ . 1 . 2]" 1
425 1 1 G H1 1 2 G H1 5.000 3.000 6.000 3.630 3.510 3.735 . 0 0 "[ . 1 . 2]" 1
426 1 1 G H1 1 2 G H8 6.000 4.000 7.000 6.500 6.270 6.742 . 0 0 "[ . 1 . 2]" 1
427 1 1 G H1 1 28 C H1' 6.000 4.000 7.000 7.219 7.162 7.268 0.268 6 0 "[ . 1 . 2]" 1
428 1 1 G H1 1 29 C H5 6.000 4.000 7.000 5.205 5.009 5.264 . 0 0 "[ . 1 . 2]" 1
429 1 1 G H1 1 29 C H6 6.000 4.000 7.000 5.630 5.590 5.651 . 0 0 "[ . 1 . 2]" 1
430 1 1 G H1 1 29 C H41 2.500 . 3.000 2.996 2.573 3.081 0.081 10 0 "[ . 1 . 2]" 1
431 1 1 G H1 1 29 C H42 3.800 . 4.500 4.420 4.054 4.505 0.005 10 0 "[ . 1 . 2]" 1
432 1 2 G H1 1 3 A H1' 6.000 4.000 7.000 5.456 5.107 5.677 . 0 0 "[ . 1 . 2]" 1
433 1 2 G H1 1 3 A H2 5.000 3.000 6.000 4.677 4.479 4.921 . 0 0 "[ . 1 . 2]" 1
434 1 2 G H1 1 3 A H8 6.000 4.000 7.000 6.297 6.198 6.411 . 0 0 "[ . 1 . 2]" 1
435 1 2 G H1 1 27 U H3 5.000 3.000 6.000 5.125 4.949 5.227 . 0 0 "[ . 1 . 2]" 1
436 1 2 G H1 1 28 C H5 6.000 4.000 7.000 5.253 5.209 5.308 . 0 0 "[ . 1 . 2]" 1
437 1 2 G H1 1 28 C H6 6.000 4.000 7.000 5.658 5.620 5.716 . 0 0 "[ . 1 . 2]" 1
438 1 2 G H1 1 29 C H5 6.000 4.000 7.000 6.084 5.724 6.419 . 0 0 "[ . 1 . 2]" 1
439 1 2 G H1 1 29 C H6 5.000 3.000 6.000 5.891 5.760 6.011 0.011 8 0 "[ . 1 . 2]" 1
440 1 2 G H1 1 28 C H41 2.500 . 3.000 3.049 3.016 3.084 0.084 11 0 "[ . 1 . 2]" 1
441 1 2 G H1 1 28 C H42 3.800 . 4.500 4.477 4.436 4.521 0.021 19 0 "[ . 1 . 2]" 1
442 1 4 G H1 1 5 U H3 3.800 . 4.800 3.244 2.983 3.509 . 0 0 "[ . 1 . 2]" 1
443 1 3 A H2 1 4 G H1 5.000 3.000 6.000 5.273 5.180 5.406 . 0 0 "[ . 1 . 2]" 1
444 1 4 G H1 1 5 U H1' 6.000 4.000 7.000 5.704 5.558 5.851 . 0 0 "[ . 1 . 2]" 1
445 1 4 G H1 1 26 C H5 5.000 3.000 6.000 4.611 4.600 4.631 . 0 0 "[ . 1 . 2]" 1
446 1 4 G H1 1 27 U H3 3.800 . 4.500 2.776 2.705 2.829 . 0 0 "[ . 1 . 2]" 1
447 1 4 G H1 1 27 U H5 5.000 3.000 6.000 4.161 4.059 4.217 . 0 0 "[ . 1 . 2]" 1
448 1 4 G H1 1 27 U H6 5.000 3.000 6.000 4.918 4.855 4.983 . 0 0 "[ . 1 . 2]" 1
449 1 4 G H1 1 26 C H41 2.500 . 3.000 1.787 1.763 1.806 0.037 18 0 "[ . 1 . 2]" 1
450 1 4 G H1 1 26 C H42 3.800 . 4.500 3.355 3.345 3.367 . 0 0 "[ . 1 . 2]" 1
451 1 5 U H1' 1 5 U H3 5.000 3.000 6.000 4.599 4.573 4.615 . 0 0 "[ . 1 . 2]" 1
452 1 5 U H3 1 6 A H1' 5.000 3.000 6.000 6.024 5.930 6.077 0.077 16 0 "[ . 1 . 2]" 1
453 1 5 U H3 1 6 A H8 5.000 3.000 6.000 5.360 5.262 5.465 . 0 0 "[ . 1 . 2]" 1
454 1 5 U H3 1 24 U H3 3.800 . 4.500 4.622 4.591 4.669 0.169 9 0 "[ . 1 . 2]" 1
455 1 5 U H3 1 26 C H1' 6.000 4.000 7.000 5.830 5.569 6.050 . 0 0 "[ . 1 . 2]" 1
456 1 5 U H3 1 25 A H2 3.800 . 4.500 2.594 2.426 2.956 . 0 0 "[ . 1 . 2]" 1
457 1 4 G H22 1 5 U H3 6.000 4.000 7.000 4.706 4.493 4.812 . 0 0 "[ . 1 . 2]" 1
458 1 5 U H3 1 25 A H61 2.500 . 3.000 2.480 2.050 2.718 . 0 0 "[ . 1 . 2]" 1
459 1 5 U H3 1 25 A H62 3.800 3.500 4.200 3.914 3.552 4.129 . 0 0 "[ . 1 . 2]" 1
460 1 5 U H3 1 26 C H41 3.800 3.500 4.200 3.772 3.472 4.201 0.028 5 0 "[ . 1 . 2]" 1
461 1 7 U H1' 1 7 U H3 5.000 3.000 6.000 4.571 4.512 4.611 . 0 0 "[ . 1 . 2]" 1
462 1 7 U H3 1 8 G H1' 5.000 3.000 6.000 5.844 5.599 6.009 0.009 7 0 "[ . 1 . 2]" 1
463 1 7 U H3 1 8 G H1 3.800 . 4.500 4.638 4.601 4.673 0.173 20 0 "[ . 1 . 2]" 1
464 1 7 U H3 1 8 G H8 5.000 3.000 6.000 4.702 4.536 4.893 . 0 0 "[ . 1 . 2]" 1
465 1 6 A H2 1 7 U H3 5.000 3.000 6.000 4.540 4.179 4.949 . 0 0 "[ . 1 . 2]" 1
466 1 7 U H3 1 23 A H2 3.800 . 4.500 2.839 2.597 3.048 . 0 0 "[ . 1 . 2]" 1
467 1 7 U H3 1 23 A H61 2.500 . 3.000 2.170 1.960 2.452 . 0 0 "[ . 1 . 2]" 1
468 1 7 U H3 1 23 A H62 3.800 3.500 4.200 3.629 3.486 3.824 0.014 16 0 "[ . 1 . 2]" 1
469 1 7 U H3 1 24 U H5 5.000 3.000 6.000 5.972 5.748 6.181 0.181 9 0 "[ . 1 . 2]" 1
470 1 8 G H1 1 9 U H3 3.800 . 4.500 3.442 3.232 3.663 . 0 0 "[ . 1 . 2]" 1
471 1 8 G H1 1 9 U H5 6.000 4.000 7.000 5.591 5.375 5.790 . 0 0 "[ . 1 . 2]" 1
472 1 8 G H1 1 9 U H6 6.000 4.000 7.000 6.311 6.139 6.485 . 0 0 "[ . 1 . 2]" 1
473 1 8 G H1 1 9 U H1' 6.000 4.000 7.000 5.882 5.589 6.129 . 0 0 "[ . 1 . 2]" 1
474 1 8 G H1 1 21 G H1 5.000 3.000 6.000 4.351 4.195 4.472 . 0 0 "[ . 1 . 2]" 1
475 1 8 G H1 1 21 G H22 6.000 4.000 7.000 6.852 6.772 6.976 . 0 0 "[ . 1 . 2]" 1
476 1 8 G H1 1 22 C H5 6.000 4.000 7.000 4.569 4.540 4.618 . 0 0 "[ . 1 . 2]" 1
477 1 8 G H1 1 22 C H6 6.000 4.000 7.000 5.643 5.611 5.685 . 0 0 "[ . 1 . 2]" 1
478 1 8 G H1 1 22 C H41 2.500 . 3.000 1.719 1.708 1.734 0.092 8 0 "[ . 1 . 2]" 1
479 1 8 G H1 1 22 C H42 3.800 . 4.500 3.268 3.237 3.307 . 0 0 "[ . 1 . 2]" 1
480 1 8 G H1 1 23 A H2 5.000 3.000 6.000 4.482 4.271 4.678 . 0 0 "[ . 1 . 2]" 1
481 1 8 G H1 1 23 A H61 6.000 4.000 7.000 4.111 4.026 4.158 . 0 0 "[ . 1 . 2]" 1
482 1 9 U H3 1 21 G H1 . . 2.100 2.162 2.152 2.170 0.070 7 0 "[ . 1 . 2]" 1
483 1 9 U H3 1 21 G H21 5.000 3.000 6.000 4.146 4.127 4.159 . 0 0 "[ . 1 . 2]" 1
484 1 9 U H3 1 21 G H22 5.000 3.000 6.000 5.589 5.567 5.599 . 0 0 "[ . 1 . 2]" 1
485 1 9 U H3 1 22 C H41 3.800 3.500 4.200 3.368 3.328 3.411 0.172 3 0 "[ . 1 . 2]" 1
486 1 9 U H3 1 22 C H42 3.800 3.500 4.200 4.405 4.371 4.455 0.255 15 0 "[ . 1 . 2]" 1
487 1 9 U H3 1 22 C H5 6.000 4.000 7.000 5.568 5.432 5.686 . 0 0 "[ . 1 . 2]" 1
488 1 21 G H1 1 22 C H41 6.000 4.000 7.000 4.456 4.381 4.559 . 0 0 "[ . 1 . 2]" 1
489 1 21 G H1 1 22 C H42 5.000 3.000 6.000 5.062 4.941 5.147 . 0 0 "[ . 1 . 2]" 1
490 1 21 G H1 1 22 C H5 6.000 4.000 7.000 5.256 5.058 5.433 . 0 0 "[ . 1 . 2]" 1
491 1 21 G H1 1 22 C H6 6.000 4.000 7.000 5.395 5.119 5.755 . 0 0 "[ . 1 . 2]" 1
492 1 9 U H1' 1 21 G H1 5.000 3.000 6.000 4.675 4.624 4.743 . 0 0 "[ . 1 . 2]" 1
493 1 9 U H5 1 21 G H1 6.000 4.000 7.000 6.205 6.168 6.232 . 0 0 "[ . 1 . 2]" 1
494 1 8 G H21 1 21 G H1 5.000 3.000 6.000 4.232 4.011 4.479 . 0 0 "[ . 1 . 2]" 1
495 1 21 G H1 1 22 C H1' 6.000 4.000 7.000 4.507 4.127 5.195 . 0 0 "[ . 1 . 2]" 1
496 1 23 A H2 1 24 U H3 5.000 3.000 6.000 4.535 4.248 4.940 . 0 0 "[ . 1 . 2]" 1
497 1 24 U H3 1 25 A H1' 5.000 3.000 6.000 5.540 5.140 6.007 0.007 13 0 "[ . 1 . 2]" 1
498 1 24 U H3 1 25 A H8 5.000 3.000 6.000 5.100 4.964 5.262 . 0 0 "[ . 1 . 2]" 1
499 1 6 A H2 1 24 U H3 3.800 . 4.500 2.869 2.637 3.028 . 0 0 "[ . 1 . 2]" 1
500 1 6 A H61 1 24 U H3 2.500 . 3.000 2.166 1.988 2.446 . 0 0 "[ . 1 . 2]" 1
501 1 6 A H62 1 24 U H3 3.800 3.500 4.200 3.649 3.514 3.899 . 0 0 "[ . 1 . 2]" 1
502 1 7 U H3 1 24 U H3 3.800 . 4.500 3.429 3.177 3.695 . 0 0 "[ . 1 . 2]" 1
503 1 7 U H5 1 24 U H3 5.000 3.000 6.000 6.044 6.007 6.100 0.100 3 0 "[ . 1 . 2]" 1
504 1 27 U H3 1 28 C H5 5.000 3.000 6.000 5.501 5.414 5.623 . 0 0 "[ . 1 . 2]" 1
505 1 27 U H3 1 28 C H6 6.000 4.000 7.000 5.905 5.862 5.953 . 0 0 "[ . 1 . 2]" 1
506 1 4 G H1' 1 27 U H3 6.000 4.000 7.000 5.414 5.255 5.510 . 0 0 "[ . 1 . 2]" 1
507 1 3 A H2 1 27 U H3 3.800 . 4.500 3.543 3.496 3.594 . 0 0 "[ . 1 . 2]" 1
508 1 3 A H8 1 27 U H3 6.000 4.000 7.000 7.181 7.153 7.209 0.209 17 0 "[ . 1 . 2]" 1
509 1 3 A H61 1 27 U H3 2.500 . 3.000 1.755 1.749 1.763 0.051 17 0 "[ . 1 . 2]" 1
510 1 3 A H62 1 27 U H3 3.800 3.500 4.200 3.403 3.395 3.411 0.105 12 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 44
_Distance_constraint_stats_list.Viol_count 247
_Distance_constraint_stats_list.Viol_total 437.509
_Distance_constraint_stats_list.Viol_max 0.249
_Distance_constraint_stats_list.Viol_rms 0.0575
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0249
_Distance_constraint_stats_list.Viol_average_violations_only 0.0886
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 G 0.980 0.132 15 0 "[ . 1 . 2]"
1 2 G 0.702 0.099 16 0 "[ . 1 . 2]"
1 3 A 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 G 0.085 0.018 10 0 "[ . 1 . 2]"
1 5 U 3.503 0.197 12 0 "[ . 1 . 2]"
1 6 A 2.913 0.196 17 0 "[ . 1 . 2]"
1 7 U 4.084 0.249 20 0 "[ . 1 . 2]"
1 8 G 0.528 0.037 20 0 "[ . 1 . 2]"
1 9 U 9.081 0.239 8 0 "[ . 1 . 2]"
1 21 G 9.081 0.239 8 0 "[ . 1 . 2]"
1 22 C 0.528 0.037 20 0 "[ . 1 . 2]"
1 23 A 4.084 0.249 20 0 "[ . 1 . 2]"
1 24 U 2.913 0.196 17 0 "[ . 1 . 2]"
1 25 A 3.503 0.197 12 0 "[ . 1 . 2]"
1 26 C 0.085 0.018 10 0 "[ . 1 . 2]"
1 27 U 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 C 0.702 0.099 16 0 "[ . 1 . 2]"
1 29 C 0.980 0.132 15 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 G H1 1 29 C N3 2.000 . 2.200 1.877 1.805 1.918 . 0 0 "[ . 1 . 2]" 2
2 1 1 G N1 1 29 C N3 2.900 2.600 3.200 2.840 2.797 2.880 . 0 0 "[ . 1 . 2]" 2
3 1 1 G O6 1 29 C H41 2.000 . 2.200 1.841 1.795 2.002 0.005 13 0 "[ . 1 . 2]" 2
4 1 1 G O6 1 29 C N4 2.900 2.600 3.200 2.815 2.759 2.972 . 0 0 "[ . 1 . 2]" 2
5 1 1 G H21 1 29 C O2 2.000 . 2.200 1.765 1.668 1.877 0.132 15 0 "[ . 1 . 2]" 2
6 1 1 G N2 1 29 C O2 2.900 2.600 3.200 2.754 2.666 2.856 . 0 0 "[ . 1 . 2]" 2
7 1 2 G H1 1 28 C N3 2.000 . 2.200 1.912 1.871 1.968 . 0 0 "[ . 1 . 2]" 2
8 1 2 G N1 1 28 C N3 2.900 2.600 3.200 2.875 2.835 2.923 . 0 0 "[ . 1 . 2]" 2
9 1 2 G O6 1 28 C H41 2.000 . 2.200 1.867 1.792 2.038 0.008 11 0 "[ . 1 . 2]" 2
10 1 2 G O6 1 28 C N4 2.900 2.600 3.200 2.835 2.756 3.005 . 0 0 "[ . 1 . 2]" 2
11 1 2 G H21 1 28 C O2 2.000 . 2.200 1.816 1.701 1.975 0.099 16 0 "[ . 1 . 2]" 2
12 1 2 G N2 1 28 C O2 2.900 2.600 3.200 2.804 2.694 2.959 . 0 0 "[ . 1 . 2]" 2
13 1 3 A N1 1 27 U H3 2.000 . 2.200 2.125 2.080 2.172 . 0 0 "[ . 1 . 2]" 2
14 1 3 A N1 1 27 U N3 2.900 2.600 3.200 3.085 3.041 3.130 . 0 0 "[ . 1 . 2]" 2
15 1 3 A H61 1 27 U O4 2.000 . 2.200 2.003 1.919 2.080 . 0 0 "[ . 1 . 2]" 2
16 1 3 A N6 1 27 U O4 2.900 2.600 3.200 2.954 2.863 3.036 . 0 0 "[ . 1 . 2]" 2
17 1 4 G H1 1 26 C N3 2.000 . 2.200 1.843 1.821 1.893 . 0 0 "[ . 1 . 2]" 2
18 1 4 G N1 1 26 C N3 2.900 2.600 3.200 2.811 2.787 2.869 . 0 0 "[ . 1 . 2]" 2
19 1 4 G O6 1 26 C H41 2.000 . 2.200 1.814 1.790 1.896 0.010 4 0 "[ . 1 . 2]" 2
20 1 4 G O6 1 26 C N4 2.900 2.600 3.200 2.778 2.741 2.869 . 0 0 "[ . 1 . 2]" 2
21 1 4 G H21 1 26 C O2 2.000 . 2.200 1.843 1.782 1.979 0.018 10 0 "[ . 1 . 2]" 2
22 1 4 G N2 1 26 C O2 2.900 2.600 3.200 2.749 2.664 2.904 . 0 0 "[ . 1 . 2]" 2
23 1 5 U H3 1 25 A N1 2.000 . 2.200 1.647 1.603 1.681 0.197 12 0 "[ . 1 . 2]" 2
24 1 5 U N3 1 25 A N1 2.900 2.600 3.200 2.630 2.569 2.689 0.031 5 0 "[ . 1 . 2]" 2
25 1 5 U O4 1 25 A H61 2.000 . 2.200 2.148 1.922 2.247 0.047 14 0 "[ . 1 . 2]" 2
26 1 5 U O4 1 25 A N6 2.900 2.600 3.200 3.138 2.916 3.225 0.025 10 0 "[ . 1 . 2]" 2
27 1 6 A N1 1 24 U H3 2.000 . 2.200 1.667 1.604 1.723 0.196 17 0 "[ . 1 . 2]" 2
28 1 6 A N1 1 24 U N3 2.900 2.600 3.200 2.619 2.554 2.676 0.046 5 0 "[ . 1 . 2]" 2
29 1 6 A H61 1 24 U O4 2.000 . 2.200 2.089 1.899 2.230 0.030 5 0 "[ . 1 . 2]" 2
30 1 6 A N6 1 24 U O4 2.900 2.600 3.200 3.093 2.902 3.223 0.023 5 0 "[ . 1 . 2]" 2
31 1 7 U H3 1 23 A N1 2.000 . 2.200 1.637 1.551 1.723 0.249 20 0 "[ . 1 . 2]" 2
32 1 7 U N3 1 23 A N1 2.900 2.600 3.200 2.577 2.486 2.644 0.114 20 0 "[ . 1 . 2]" 2
33 1 7 U O4 1 23 A H61 2.000 . 2.200 2.000 1.783 2.219 0.019 16 0 "[ . 1 . 2]" 2
34 1 7 U O4 1 23 A N6 2.900 2.600 3.200 3.005 2.783 3.227 0.027 16 0 "[ . 1 . 2]" 2
35 1 8 G H1 1 22 C N3 2.000 . 2.200 1.972 1.916 2.010 . 0 0 "[ . 1 . 2]" 2
36 1 8 G N1 1 22 C N3 2.900 2.600 3.200 2.922 2.861 2.960 . 0 0 "[ . 1 . 2]" 2
37 1 8 G O6 1 22 C H41 2.000 . 2.200 1.775 1.763 1.789 0.037 20 0 "[ . 1 . 2]" 2
38 1 8 G O6 1 22 C N4 2.900 2.600 3.200 2.658 2.609 2.705 . 0 0 "[ . 1 . 2]" 2
39 1 8 G H21 1 22 C O2 2.000 . 2.200 2.117 1.968 2.215 0.015 17 0 "[ . 1 . 2]" 2
40 1 8 G N2 1 22 C O2 2.900 2.600 3.200 3.042 2.884 3.152 . 0 0 "[ . 1 . 2]" 2
41 1 9 U H3 1 21 G O6 1.900 . 2.100 2.142 2.133 2.156 0.056 11 0 "[ . 1 . 2]" 2
42 1 9 U N3 1 21 G O6 2.900 2.800 3.100 3.100 3.084 3.114 0.014 11 0 "[ . 1 . 2]" 2
43 1 9 U O2 1 21 G H1 1.900 . 2.100 2.301 2.262 2.328 0.228 8 0 "[ . 1 . 2]" 2
44 1 9 U O2 1 21 G N1 2.900 2.800 3.100 3.308 3.265 3.339 0.239 8 0 "[ . 1 . 2]" 2
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