NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
432888 |
2jtp   |
15417 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2jtp
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 599
_Distance_constraint_stats_list.Viol_count 968
_Distance_constraint_stats_list.Viol_total 942.995
_Distance_constraint_stats_list.Viol_max 0.540
_Distance_constraint_stats_list.Viol_rms 0.0191
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0039
_Distance_constraint_stats_list.Viol_average_violations_only 0.0487
_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 0.771 0.067 2 0 "[ . 1 . 2]"
1 2 G 0.613 0.067 2 0 "[ . 1 . 2]"
1 3 A 3.747 0.135 14 0 "[ . 1 . 2]"
1 4 U 3.949 0.135 14 0 "[ . 1 . 2]"
1 5 G 0.193 0.028 18 0 "[ . 1 . 2]"
1 6 G 1.648 0.109 8 0 "[ . 1 . 2]"
1 7 G 0.701 0.071 10 0 "[ . 1 . 2]"
1 8 G 0.872 0.071 10 0 "[ . 1 . 2]"
1 9 A 3.333 0.145 18 0 "[ . 1 . 2]"
1 10 A 3.049 0.145 18 0 "[ . 1 . 2]"
1 11 A 4.504 0.185 20 0 "[ . 1 . 2]"
1 12 G 8.557 0.540 4 1 "[ +. 1 . 2]"
1 13 A 1.856 0.214 7 0 "[ . 1 . 2]"
1 14 A 2.242 0.214 7 0 "[ . 1 . 2]"
1 15 G 3.171 0.117 17 0 "[ . 1 . 2]"
1 16 C 1.662 0.117 17 0 "[ . 1 . 2]"
1 17 C 0.686 0.073 17 0 "[ . 1 . 2]"
1 18 C 3.556 0.124 7 0 "[ . 1 . 2]"
1 19 C 1.441 0.076 9 0 "[ . 1 . 2]"
1 20 G 0.675 0.037 16 0 "[ . 1 . 2]"
1 21 C 0.032 0.011 5 0 "[ . 1 . 2]"
1 22 A 0.842 0.083 14 0 "[ . 1 . 2]"
1 23 A 5.546 0.540 4 1 "[ +. 1 . 2]"
1 24 U 6.263 0.190 9 0 "[ . 1 . 2]"
1 25 U 3.167 0.145 11 0 "[ . 1 . 2]"
1 26 U 0.510 0.047 9 0 "[ . 1 . 2]"
1 27 C 2.839 0.116 17 0 "[ . 1 . 2]"
1 28 C 1.129 0.096 16 0 "[ . 1 . 2]"
1 29 C 0.189 0.031 18 0 "[ . 1 . 2]"
1 30 C 0.141 0.025 18 0 "[ . 1 . 2]"
1 31 A 5.031 0.180 11 0 "[ . 1 . 2]"
1 32 U 9.095 0.180 11 0 "[ . 1 . 2]"
1 33 C 2.974 0.122 8 0 "[ . 1 . 2]"
1 34 C 0.177 0.026 19 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 H2' 3.000 . 4.000 2.705 2.694 2.724 . 0 0 "[ . 1 . 2]" 1
2 1 1 G H1' 1 1 G H3' 4.000 2.500 5.500 3.868 3.858 3.881 . 0 0 "[ . 1 . 2]" 1
3 1 1 G H1' 1 1 G H4' 4.000 2.500 5.500 3.605 3.531 3.631 . 0 0 "[ . 1 . 2]" 1
4 1 1 G H1' 1 1 G Q5' 5.000 3.000 7.000 4.388 4.314 4.445 . 0 0 "[ . 1 . 2]" 1
5 1 1 G H1' 1 1 G H8 4.000 2.500 5.500 3.741 3.703 3.786 . 0 0 "[ . 1 . 2]" 1
6 1 1 G H2' 1 1 G H8 3.000 . 4.000 3.975 3.854 4.051 0.051 18 0 "[ . 1 . 2]" 1
7 1 1 G H3' 1 1 G H8 4.000 2.500 5.500 2.982 2.773 3.175 . 0 0 "[ . 1 . 2]" 1
8 1 1 G H4' 1 1 G H8 4.000 2.500 5.500 4.112 4.053 4.221 . 0 0 "[ . 1 . 2]" 1
9 1 2 G H1' 1 2 G H2' 3.000 . 4.000 2.755 2.707 2.846 . 0 0 "[ . 1 . 2]" 1
10 1 2 G H1' 1 2 G H4' 4.000 2.500 5.500 3.367 3.075 3.568 . 0 0 "[ . 1 . 2]" 1
11 1 2 G H1' 1 2 G Q5' 5.000 3.000 7.000 4.412 4.323 4.449 . 0 0 "[ . 1 . 2]" 1
12 1 2 G H1' 1 2 G H8 4.000 2.500 5.500 3.747 3.714 3.782 . 0 0 "[ . 1 . 2]" 1
13 1 2 G H2' 1 2 G H8 4.000 2.500 5.500 3.888 3.655 3.957 . 0 0 "[ . 1 . 2]" 1
14 1 2 G H4' 1 2 G H8 4.000 2.500 5.500 4.349 4.118 4.585 . 0 0 "[ . 1 . 2]" 1
15 1 2 G Q5' 1 2 G H8 4.000 2.500 5.500 3.527 3.004 3.996 . 0 0 "[ . 1 . 2]" 1
16 1 1 G H1' 1 2 G H1' 5.000 3.000 7.000 6.227 5.866 6.703 . 0 0 "[ . 1 . 2]" 1
17 1 1 G H2' 1 2 G H1' 5.000 3.000 7.000 4.378 4.098 4.725 . 0 0 "[ . 1 . 2]" 1
18 1 1 G H1' 1 2 G H4' 5.000 3.000 7.000 6.753 6.314 7.044 0.044 9 0 "[ . 1 . 2]" 1
19 1 1 G H2' 1 2 G Q5' 5.000 3.000 7.000 3.557 3.251 3.864 . 0 0 "[ . 1 . 2]" 1
20 1 1 G H8 1 2 G H8 5.000 3.000 7.000 5.100 4.313 5.596 . 0 0 "[ . 1 . 2]" 1
21 1 1 G H1' 1 2 G H8 4.000 2.500 5.500 4.848 4.619 4.904 . 0 0 "[ . 1 . 2]" 1
22 1 1 G H2' 1 2 G H8 3.000 . 4.000 2.190 2.172 2.198 . 0 0 "[ . 1 . 2]" 1
23 1 1 G H3' 1 2 G H8 5.000 3.000 7.000 2.984 2.933 3.116 0.067 2 0 "[ . 1 . 2]" 1
24 1 3 A H1' 1 3 A H2' 3.000 . 4.000 2.812 2.688 2.852 . 0 0 "[ . 1 . 2]" 1
25 1 3 A H1' 1 3 A H3' 4.000 2.500 5.500 3.904 3.847 3.932 . 0 0 "[ . 1 . 2]" 1
26 1 3 A H1' 1 3 A Q5' 5.000 3.000 7.000 4.353 4.313 4.439 . 0 0 "[ . 1 . 2]" 1
27 1 3 A H1' 1 3 A H8 4.000 2.500 5.500 3.765 3.737 3.779 . 0 0 "[ . 1 . 2]" 1
28 1 2 G H1' 1 3 A H1' 5.000 3.000 7.000 6.208 5.915 6.448 . 0 0 "[ . 1 . 2]" 1
29 1 2 G H2' 1 3 A H1' 5.000 3.000 7.000 4.506 4.175 5.632 . 0 0 "[ . 1 . 2]" 1
30 1 2 G H8 1 3 A H8 5.000 3.000 7.000 4.968 4.349 5.810 . 0 0 "[ . 1 . 2]" 1
31 1 2 G H1' 1 3 A H8 4.000 2.500 5.500 4.749 3.957 4.900 . 0 0 "[ . 1 . 2]" 1
32 1 2 G H2' 1 3 A H8 2.000 . 2.500 2.176 2.164 2.186 . 0 0 "[ . 1 . 2]" 1
33 1 4 U H1' 1 4 U H2' 3.000 . 4.000 2.776 2.750 2.838 . 0 0 "[ . 1 . 2]" 1
34 1 4 U H1' 1 4 U H3' 4.000 2.500 5.500 3.881 3.859 3.910 . 0 0 "[ . 1 . 2]" 1
35 1 4 U H1' 1 4 U H4' 4.000 2.500 5.500 3.310 3.089 3.413 . 0 0 "[ . 1 . 2]" 1
36 1 4 U H1' 1 4 U Q5' 5.000 3.000 7.000 4.409 4.335 4.436 . 0 0 "[ . 1 . 2]" 1
37 1 4 U H1' 1 4 U H5 5.000 3.000 7.000 5.363 5.352 5.373 . 0 0 "[ . 1 . 2]" 1
38 1 4 U H2' 1 4 U H5 4.000 2.500 5.500 5.081 4.943 5.128 . 0 0 "[ . 1 . 2]" 1
39 1 4 U H3' 1 4 U H5 4.000 2.500 5.500 4.620 4.431 4.938 . 0 0 "[ . 1 . 2]" 1
40 1 4 U H1' 1 4 U H6 4.000 2.500 5.500 3.614 3.597 3.631 . 0 0 "[ . 1 . 2]" 1
41 1 4 U H2' 1 4 U H6 4.000 2.500 5.500 3.629 3.468 3.694 . 0 0 "[ . 1 . 2]" 1
42 1 4 U H3' 1 4 U H6 4.000 2.500 5.500 2.750 2.572 2.946 . 0 0 "[ . 1 . 2]" 1
43 1 4 U H4' 1 4 U H6 4.000 2.500 5.500 4.038 3.946 4.216 . 0 0 "[ . 1 . 2]" 1
44 1 4 U Q5' 1 4 U H6 4.000 2.500 5.500 3.344 3.166 3.677 . 0 0 "[ . 1 . 2]" 1
45 1 3 A H1' 1 4 U H1' 5.000 3.000 7.000 5.620 5.383 5.878 . 0 0 "[ . 1 . 2]" 1
46 1 3 A H2' 1 4 U H1' 4.000 2.500 5.500 4.757 4.214 4.998 . 0 0 "[ . 1 . 2]" 1
47 1 3 A H1' 1 4 U H5 5.000 3.000 7.000 5.394 5.199 5.709 . 0 0 "[ . 1 . 2]" 1
48 1 3 A H2' 1 4 U H5 4.000 2.500 5.500 2.900 2.503 3.757 . 0 0 "[ . 1 . 2]" 1
49 1 3 A H8 1 4 U H5 5.000 3.000 7.000 4.798 4.231 5.112 . 0 0 "[ . 1 . 2]" 1
50 1 3 A H8 1 4 U H6 5.000 3.000 7.000 5.590 4.906 5.818 . 0 0 "[ . 1 . 2]" 1
51 1 3 A H1' 1 4 U H6 4.000 2.500 5.500 4.555 4.401 4.814 . 0 0 "[ . 1 . 2]" 1
52 1 3 A H2' 1 4 U H6 2.000 . 2.500 2.172 2.154 2.179 . 0 0 "[ . 1 . 2]" 1
53 1 3 A H3' 1 4 U H6 4.000 2.500 5.500 3.737 3.215 3.921 . 0 0 "[ . 1 . 2]" 1
54 1 5 G H1' 1 5 G H2' 3.000 . 4.000 2.777 2.719 2.815 . 0 0 "[ . 1 . 2]" 1
55 1 5 G H1' 1 5 G H3' 4.000 2.500 5.500 3.886 3.858 3.911 . 0 0 "[ . 1 . 2]" 1
56 1 5 G H1' 1 5 G Q5' 5.000 3.000 7.000 4.388 4.349 4.441 . 0 0 "[ . 1 . 2]" 1
57 1 5 G H1' 1 5 G H8 4.000 2.500 5.500 3.802 3.779 3.823 . 0 0 "[ . 1 . 2]" 1
58 1 5 G H2' 1 5 G H8 4.000 2.500 5.500 3.666 3.583 3.773 . 0 0 "[ . 1 . 2]" 1
59 1 5 G Q5' 1 5 G H8 4.000 2.500 5.500 3.606 3.207 3.814 . 0 0 "[ . 1 . 2]" 1
60 1 4 U H1' 1 5 G H1' 5.000 3.000 7.000 5.993 5.708 6.214 . 0 0 "[ . 1 . 2]" 1
61 1 4 U H6 1 5 G H8 5.000 3.000 7.000 4.594 4.056 5.326 . 0 0 "[ . 1 . 2]" 1
62 1 4 U H1' 1 5 G H8 4.000 2.500 5.500 4.924 4.784 5.110 . 0 0 "[ . 1 . 2]" 1
63 1 4 U H2' 1 5 G H8 2.000 . 2.500 2.213 2.186 2.356 . 0 0 "[ . 1 . 2]" 1
64 1 4 U H3' 1 5 G H8 4.000 2.500 5.500 2.898 2.522 3.348 . 0 0 "[ . 1 . 2]" 1
65 1 4 U H4' 1 5 G H8 4.000 2.500 5.500 5.408 5.250 5.527 0.027 3 0 "[ . 1 . 2]" 1
66 1 4 U H5 1 5 G H8 5.000 3.000 7.000 5.402 4.806 6.416 . 0 0 "[ . 1 . 2]" 1
67 1 6 G H1' 1 6 G H2' 3.000 . 4.000 2.704 2.699 2.711 . 0 0 "[ . 1 . 2]" 1
68 1 6 G H1' 1 6 G H4' 3.000 . 4.000 3.580 3.528 3.617 . 0 0 "[ . 1 . 2]" 1
69 1 6 G H1' 1 6 G H8 4.000 2.500 5.500 3.781 3.764 3.801 . 0 0 "[ . 1 . 2]" 1
70 1 6 G H2' 1 6 G H8 4.000 2.500 5.500 3.852 3.752 3.908 . 0 0 "[ . 1 . 2]" 1
71 1 6 G H3' 1 6 G H8 4.000 2.500 5.500 2.687 2.579 2.794 . 0 0 "[ . 1 . 2]" 1
72 1 6 G H4' 1 6 G H8 3.000 . 4.000 4.066 4.031 4.109 0.109 8 0 "[ . 1 . 2]" 1
73 1 5 G H1' 1 6 G H1' 5.000 3.000 7.000 6.070 5.804 6.338 . 0 0 "[ . 1 . 2]" 1
74 1 5 G H2' 1 6 G H1' 4.000 2.500 5.500 4.970 4.370 5.326 . 0 0 "[ . 1 . 2]" 1
75 1 5 G H8 1 6 G H8 5.000 3.000 7.000 5.636 5.236 5.820 . 0 0 "[ . 1 . 2]" 1
76 1 5 G H1' 1 6 G H8 4.000 2.500 5.500 4.630 4.409 4.895 . 0 0 "[ . 1 . 2]" 1
77 1 5 G H2' 1 6 G H8 2.000 . 2.500 2.183 2.170 2.207 . 0 0 "[ . 1 . 2]" 1
78 1 7 G H1' 1 7 G H2' 3.000 . 4.000 2.789 2.767 2.828 . 0 0 "[ . 1 . 2]" 1
79 1 7 G H1' 1 7 G H8 4.000 2.500 5.500 3.749 3.695 3.775 . 0 0 "[ . 1 . 2]" 1
80 1 6 G H1' 1 7 G H1' 4.000 2.500 5.500 5.497 5.348 5.540 0.040 3 0 "[ . 1 . 2]" 1
81 1 6 G H2' 1 7 G H1' 4.000 2.500 5.500 3.836 3.763 3.920 . 0 0 "[ . 1 . 2]" 1
82 1 6 G H8 1 7 G H8 5.000 3.000 7.000 4.107 3.790 4.530 . 0 0 "[ . 1 . 2]" 1
83 1 6 G H1' 1 7 G H8 4.000 2.500 5.500 4.600 4.383 4.764 . 0 0 "[ . 1 . 2]" 1
84 1 6 G H2' 1 7 G H8 2.000 . 2.500 2.188 2.179 2.197 . 0 0 "[ . 1 . 2]" 1
85 1 8 G H1' 1 8 G H2' 3.000 . 4.000 2.825 2.715 2.856 . 0 0 "[ . 1 . 2]" 1
86 1 8 G H1' 1 8 G H8 4.000 2.500 5.500 3.796 3.771 3.832 . 0 0 "[ . 1 . 2]" 1
87 1 8 G H2' 1 8 G H8 4.000 2.500 5.500 3.604 3.522 3.727 . 0 0 "[ . 1 . 2]" 1
88 1 7 G H1' 1 8 G H8 4.000 2.500 5.500 4.818 4.688 4.948 . 0 0 "[ . 1 . 2]" 1
89 1 7 G H2' 1 8 G H8 2.000 . 2.500 2.177 2.167 2.185 . 0 0 "[ . 1 . 2]" 1
90 1 9 A H1' 1 9 A H2' 3.000 . 4.000 2.701 2.672 2.852 . 0 0 "[ . 1 . 2]" 1
91 1 9 A H1' 1 9 A H8 4.000 2.500 5.500 3.778 3.734 3.795 . 0 0 "[ . 1 . 2]" 1
92 1 9 A H2' 1 9 A H8 4.000 2.500 5.500 3.882 3.713 3.992 . 0 0 "[ . 1 . 2]" 1
93 1 8 G H1' 1 9 A H1' 5.000 3.000 7.000 5.863 5.277 6.557 . 0 0 "[ . 1 . 2]" 1
94 1 8 G H8 1 9 A H8 5.000 3.000 7.000 5.426 3.533 5.866 . 0 0 "[ . 1 . 2]" 1
95 1 8 G H1' 1 9 A H8 4.000 2.500 5.500 4.469 3.884 4.895 . 0 0 "[ . 1 . 2]" 1
96 1 8 G H2' 1 9 A H8 2.000 . 2.500 2.191 2.163 2.237 . 0 0 "[ . 1 . 2]" 1
97 1 10 A H1' 1 10 A H2' 3.000 . 4.000 2.806 2.691 2.850 . 0 0 "[ . 1 . 2]" 1
98 1 10 A H1' 1 10 A H3' 4.000 2.500 5.500 3.890 3.828 3.913 . 0 0 "[ . 1 . 2]" 1
99 1 10 A H1' 1 10 A H4' 4.000 2.500 5.500 3.165 3.000 3.540 . 0 0 "[ . 1 . 2]" 1
100 1 10 A H1' 1 10 A Q5' 5.000 3.000 7.000 4.360 4.302 4.459 . 0 0 "[ . 1 . 2]" 1
101 1 10 A H1' 1 10 A H8 4.000 2.500 5.500 3.767 3.744 3.792 . 0 0 "[ . 1 . 2]" 1
102 1 10 A H2' 1 10 A H8 4.000 2.500 5.500 3.764 3.690 3.897 . 0 0 "[ . 1 . 2]" 1
103 1 10 A H3' 1 10 A H8 4.000 2.500 5.500 3.231 2.753 3.514 . 0 0 "[ . 1 . 2]" 1
104 1 10 A H4' 1 10 A H8 4.000 2.500 5.500 4.507 4.134 4.619 . 0 0 "[ . 1 . 2]" 1
105 1 10 A Q5' 1 10 A H8 4.000 2.500 5.500 3.878 3.199 4.128 . 0 0 "[ . 1 . 2]" 1
106 1 9 A H1' 1 10 A H1' 5.000 3.000 7.000 5.112 4.922 5.534 . 0 0 "[ . 1 . 2]" 1
107 1 9 A H2' 1 10 A H1' 4.000 2.500 5.500 3.798 3.596 4.781 . 0 0 "[ . 1 . 2]" 1
108 1 9 A H8 1 10 A H8 5.000 3.000 7.000 4.254 3.975 5.785 . 0 0 "[ . 1 . 2]" 1
109 1 9 A H1' 1 10 A H8 4.000 2.500 5.500 4.473 4.331 4.626 . 0 0 "[ . 1 . 2]" 1
110 1 9 A H2' 1 10 A H8 2.000 . 2.500 2.154 2.129 2.174 . 0 0 "[ . 1 . 2]" 1
111 1 11 A H1' 1 11 A H2' 3.000 . 4.000 2.696 2.675 2.770 . 0 0 "[ . 1 . 2]" 1
112 1 11 A H1' 1 11 A H3' 4.000 2.500 5.500 3.833 3.805 3.913 . 0 0 "[ . 1 . 2]" 1
113 1 11 A H1' 1 11 A H4' 4.000 2.500 5.500 3.572 3.380 3.655 . 0 0 "[ . 1 . 2]" 1
114 1 11 A H1' 1 11 A Q5' 5.000 3.000 7.000 4.435 4.328 4.459 . 0 0 "[ . 1 . 2]" 1
115 1 11 A H1' 1 11 A H8 4.000 2.500 5.500 3.772 3.751 3.839 . 0 0 "[ . 1 . 2]" 1
116 1 11 A H2' 1 11 A H8 4.000 2.500 5.500 3.910 3.472 4.016 . 0 0 "[ . 1 . 2]" 1
117 1 11 A H3' 1 11 A H8 4.000 2.500 5.500 2.789 2.457 2.983 0.043 14 0 "[ . 1 . 2]" 1
118 1 11 A H4' 1 11 A H8 4.000 2.500 5.500 4.127 3.968 4.366 . 0 0 "[ . 1 . 2]" 1
119 1 11 A Q5' 1 11 A H8 4.000 2.500 5.500 3.115 2.788 3.567 . 0 0 "[ . 1 . 2]" 1
120 1 10 A H1' 1 11 A H1' 5.000 3.000 7.000 5.592 5.021 7.032 0.032 14 0 "[ . 1 . 2]" 1
121 1 10 A H2' 1 11 A H1' 4.000 2.500 5.500 4.505 3.778 5.403 . 0 0 "[ . 1 . 2]" 1
122 1 10 A H8 1 11 A H8 5.000 3.000 7.000 5.608 4.757 5.875 . 0 0 "[ . 1 . 2]" 1
123 1 10 A H1' 1 11 A H8 4.000 2.500 5.500 4.713 4.465 4.999 . 0 0 "[ . 1 . 2]" 1
124 1 10 A H2' 1 11 A H8 2.000 . 2.500 2.182 2.161 2.217 . 0 0 "[ . 1 . 2]" 1
125 1 10 A H3' 1 11 A H8 4.000 2.500 5.500 3.422 3.032 3.734 . 0 0 "[ . 1 . 2]" 1
126 1 12 G H1' 1 12 G H2' 3.000 . 4.000 2.758 2.709 2.837 . 0 0 "[ . 1 . 2]" 1
127 1 12 G H1' 1 12 G H3' 5.000 3.000 7.000 3.887 3.856 3.930 . 0 0 "[ . 1 . 2]" 1
128 1 12 G H1' 1 12 G H4' 5.000 3.000 7.000 3.329 3.055 3.502 . 0 0 "[ . 1 . 2]" 1
129 1 12 G H1' 1 12 G Q5' 5.000 3.000 7.000 4.410 4.258 4.479 . 0 0 "[ . 1 . 2]" 1
130 1 12 G H3' 1 12 G Q5' 4.000 2.500 5.500 2.634 2.321 2.774 0.179 13 0 "[ . 1 . 2]" 1
131 1 12 G H1' 1 12 G H8 4.000 2.500 5.500 3.806 3.661 3.851 . 0 0 "[ . 1 . 2]" 1
132 1 12 G H3' 1 12 G H8 4.000 2.500 5.500 2.899 2.537 3.780 . 0 0 "[ . 1 . 2]" 1
133 1 12 G Q5' 1 12 G H8 5.000 3.000 7.000 3.527 2.930 4.144 0.070 13 0 "[ . 1 . 2]" 1
134 1 11 A H1' 1 12 G H1' 5.000 3.000 7.000 5.810 4.598 6.215 . 0 0 "[ . 1 . 2]" 1
135 1 11 A H2' 1 12 G H1' 5.000 3.000 7.000 4.307 3.524 4.583 . 0 0 "[ . 1 . 2]" 1
136 1 11 A H8 1 12 G H8 5.000 3.000 7.000 4.090 3.029 4.793 . 0 0 "[ . 1 . 2]" 1
137 1 11 A H1' 1 12 G H8 4.000 2.500 5.500 4.597 4.209 5.082 . 0 0 "[ . 1 . 2]" 1
138 1 11 A H3' 1 12 G H8 4.000 2.500 5.500 2.723 2.461 3.777 0.039 12 0 "[ . 1 . 2]" 1
139 1 13 A H1' 1 13 A H2' 3.000 . 4.000 2.768 2.695 2.842 . 0 0 "[ . 1 . 2]" 1
140 1 13 A H1' 1 13 A H4' 4.000 2.500 5.500 3.388 3.117 3.612 . 0 0 "[ . 1 . 2]" 1
141 1 13 A H1' 1 13 A Q5' 5.000 3.000 7.000 4.439 4.206 4.517 . 0 0 "[ . 1 . 2]" 1
142 1 13 A H2' 1 13 A Q5' 4.000 2.500 5.500 4.260 4.007 4.505 . 0 0 "[ . 1 . 2]" 1
143 1 13 A H1' 1 13 A H8 4.000 2.500 5.500 3.643 3.478 3.803 . 0 0 "[ . 1 . 2]" 1
144 1 13 A H2' 1 13 A H8 4.000 2.500 5.500 4.084 3.511 4.316 . 0 0 "[ . 1 . 2]" 1
145 1 13 A H4' 1 13 A H8 4.000 2.500 5.500 4.423 4.283 4.626 . 0 0 "[ . 1 . 2]" 1
146 1 13 A Q5' 1 13 A H8 5.000 3.000 7.000 3.506 2.981 4.018 0.019 8 0 "[ . 1 . 2]" 1
147 1 12 G H2' 1 13 A H1' 5.000 3.000 7.000 5.596 4.768 7.070 0.070 9 0 "[ . 1 . 2]" 1
148 1 12 G H8 1 13 A H8 5.000 3.000 7.000 6.045 5.374 6.720 . 0 0 "[ . 1 . 2]" 1
149 1 12 G H1' 1 13 A H8 5.000 4.000 7.000 4.526 3.932 4.942 0.068 13 0 "[ . 1 . 2]" 1
150 1 12 G H2' 1 13 A H8 4.000 2.500 5.500 2.906 2.470 3.884 0.030 1 0 "[ . 1 . 2]" 1
151 1 12 G H3' 1 13 A H8 5.000 3.000 7.000 3.706 3.017 4.623 . 0 0 "[ . 1 . 2]" 1
152 1 14 A H1' 1 14 A H2' 3.000 . 4.000 2.793 2.729 2.851 . 0 0 "[ . 1 . 2]" 1
153 1 14 A H1' 1 14 A H8 5.000 3.000 7.000 3.760 3.574 3.837 . 0 0 "[ . 1 . 2]" 1
154 1 13 A H1' 1 14 A H1' 5.000 3.000 7.000 6.739 6.325 7.107 0.107 7 0 "[ . 1 . 2]" 1
155 1 13 A H2' 1 14 A H1' 5.000 3.000 7.000 5.221 4.583 5.775 . 0 0 "[ . 1 . 2]" 1
156 1 13 A H8 1 14 A H8 5.000 3.000 7.000 6.859 6.549 7.057 0.057 13 0 "[ . 1 . 2]" 1
157 1 13 A H1' 1 14 A H8 3.000 . 4.000 3.847 3.385 4.128 0.128 7 0 "[ . 1 . 2]" 1
158 1 13 A H2' 1 14 A H8 5.000 3.000 7.000 3.284 2.786 3.934 0.214 7 0 "[ . 1 . 2]" 1
159 1 15 G H1' 1 15 G H2' 3.000 . 4.000 2.777 2.725 2.846 . 0 0 "[ . 1 . 2]" 1
160 1 15 G H1' 1 15 G H3' 4.000 2.500 5.500 3.903 3.874 3.944 . 0 0 "[ . 1 . 2]" 1
161 1 15 G H1' 1 15 G H4' 4.000 2.500 5.500 3.365 3.122 3.585 . 0 0 "[ . 1 . 2]" 1
162 1 15 G H1' 1 15 G Q5' 5.000 3.000 7.000 4.393 4.150 4.512 . 0 0 "[ . 1 . 2]" 1
163 1 15 G H1' 1 15 G H8 4.000 2.500 5.500 3.534 3.491 3.605 . 0 0 "[ . 1 . 2]" 1
164 1 15 G H2' 1 15 G H8 4.000 2.500 5.500 4.269 4.114 4.376 . 0 0 "[ . 1 . 2]" 1
165 1 15 G H3' 1 15 G H8 4.000 2.500 5.500 3.923 3.645 4.223 . 0 0 "[ . 1 . 2]" 1
166 1 15 G H4' 1 15 G H8 4.000 2.500 5.500 4.518 4.402 4.631 . 0 0 "[ . 1 . 2]" 1
167 1 15 G Q5' 1 15 G H8 5.000 3.000 7.000 3.627 2.940 4.228 0.060 13 0 "[ . 1 . 2]" 1
168 1 14 A H1' 1 15 G H1' 5.000 3.000 7.000 6.288 5.507 7.034 0.034 7 0 "[ . 1 . 2]" 1
169 1 14 A H2' 1 15 G H1' 5.000 3.000 7.000 4.558 4.157 4.979 . 0 0 "[ . 1 . 2]" 1
170 1 14 A H2' 1 15 G H2' 5.000 3.000 7.000 6.351 5.993 6.668 . 0 0 "[ . 1 . 2]" 1
171 1 12 G H2' 1 15 G H8 5.000 3.000 7.000 7.061 7.023 7.097 0.097 17 0 "[ . 1 . 2]" 1
172 1 14 A H1' 1 15 G H8 5.000 3.000 7.000 6.585 6.128 6.792 . 0 0 "[ . 1 . 2]" 1
173 1 14 A H2' 1 15 G H8 3.000 . 4.000 3.899 3.617 4.044 0.044 2 0 "[ . 1 . 2]" 1
174 1 16 C H1' 1 16 C H2' 3.000 . 4.000 2.807 2.718 3.010 . 0 0 "[ . 1 . 2]" 1
175 1 16 C H1' 1 16 C H3' 4.000 2.500 5.500 3.911 3.888 3.946 . 0 0 "[ . 1 . 2]" 1
176 1 16 C H1' 1 16 C H4' 3.000 . 4.000 3.365 2.844 3.592 . 0 0 "[ . 1 . 2]" 1
177 1 16 C H1' 1 16 C H5 5.000 3.000 7.000 5.396 5.332 5.435 . 0 0 "[ . 1 . 2]" 1
178 1 16 C H2' 1 16 C H5 5.000 3.000 7.000 4.897 4.354 5.252 . 0 0 "[ . 1 . 2]" 1
179 1 16 C H3' 1 16 C H5 5.000 3.000 7.000 4.907 4.257 6.316 . 0 0 "[ . 1 . 2]" 1
180 1 16 C H1' 1 16 C H6 4.000 2.500 5.500 3.670 3.571 3.728 . 0 0 "[ . 1 . 2]" 1
181 1 16 C H2' 1 16 C H6 3.000 . 4.000 3.318 2.432 3.845 . 0 0 "[ . 1 . 2]" 1
182 1 16 C H3' 1 16 C H6 3.000 . 4.000 2.879 2.225 4.048 0.048 9 0 "[ . 1 . 2]" 1
183 1 16 C H4' 1 16 C H6 5.000 3.000 7.000 4.017 3.761 4.448 . 0 0 "[ . 1 . 2]" 1
184 1 15 G H1' 1 16 C H1' 5.000 3.000 7.000 5.055 4.437 5.933 . 0 0 "[ . 1 . 2]" 1
185 1 15 G H2' 1 16 C H1' 4.000 2.500 5.500 3.768 2.565 4.601 . 0 0 "[ . 1 . 2]" 1
186 1 15 G H1' 1 16 C H2' 5.000 3.000 7.000 7.019 6.881 7.117 0.117 17 0 "[ . 1 . 2]" 1
187 1 15 G H2' 1 16 C H2' 4.000 2.500 5.500 5.117 4.476 5.484 . 0 0 "[ . 1 . 2]" 1
188 1 15 G H8 1 16 C H5 5.000 3.000 7.000 6.586 5.451 7.031 0.031 1 0 "[ . 1 . 2]" 1
189 1 15 G H1' 1 16 C H5 5.000 3.000 7.000 6.092 5.642 6.888 . 0 0 "[ . 1 . 2]" 1
190 1 15 G H2' 1 16 C H5 4.000 2.500 5.500 3.584 2.837 4.350 . 0 0 "[ . 1 . 2]" 1
191 1 15 G H3' 1 16 C H5 5.000 3.000 7.000 3.225 2.988 3.610 0.012 15 0 "[ . 1 . 2]" 1
192 1 15 G H8 1 16 C H6 5.000 3.000 7.000 6.737 5.658 7.035 0.035 13 0 "[ . 1 . 2]" 1
193 1 15 G H1' 1 16 C H6 4.000 2.500 5.500 4.963 4.555 5.514 0.014 17 0 "[ . 1 . 2]" 1
194 1 15 G H2' 1 16 C H6 3.000 . 4.000 2.878 2.312 3.491 . 0 0 "[ . 1 . 2]" 1
195 1 15 G H3' 1 16 C H6 4.000 2.500 5.500 3.516 2.440 4.081 0.060 6 0 "[ . 1 . 2]" 1
196 1 17 C H1' 1 17 C H2' 3.000 . 4.000 3.025 3.017 3.029 . 0 0 "[ . 1 . 2]" 1
197 1 17 C H1' 1 17 C H3' 4.000 2.500 5.500 3.861 3.839 3.890 . 0 0 "[ . 1 . 2]" 1
198 1 17 C H1' 1 17 C Q5' 4.000 2.500 5.500 4.243 4.177 4.360 . 0 0 "[ . 1 . 2]" 1
199 1 17 C H1' 1 17 C H5 5.000 3.000 7.000 5.437 5.431 5.443 . 0 0 "[ . 1 . 2]" 1
200 1 17 C H2' 1 17 C H5 4.000 2.500 5.500 4.382 4.281 4.465 . 0 0 "[ . 1 . 2]" 1
201 1 17 C H3' 1 17 C H5 5.000 3.000 7.000 6.467 6.305 6.541 . 0 0 "[ . 1 . 2]" 1
202 1 17 C H1' 1 17 C H6 4.000 2.500 5.500 3.728 3.719 3.737 . 0 0 "[ . 1 . 2]" 1
203 1 17 C H2' 1 17 C H6 2.000 . 2.500 2.376 2.189 2.516 0.016 11 0 "[ . 1 . 2]" 1
204 1 17 C H3' 1 17 C H6 4.000 2.500 5.500 4.120 3.916 4.217 . 0 0 "[ . 1 . 2]" 1
205 1 17 C Q5' 1 17 C H6 5.000 3.000 7.000 3.197 2.971 4.086 0.029 19 0 "[ . 1 . 2]" 1
206 1 16 C H5 1 17 C H1' 5.000 3.000 7.000 5.888 5.377 6.524 . 0 0 "[ . 1 . 2]" 1
207 1 16 C H1' 1 17 C H1' 5.000 3.000 7.000 5.307 4.624 5.867 . 0 0 "[ . 1 . 2]" 1
208 1 16 C H2' 1 17 C H1' 4.000 2.500 5.500 3.541 2.881 4.076 . 0 0 "[ . 1 . 2]" 1
209 1 16 C H6 1 17 C H2' 5.000 3.000 7.000 6.518 6.046 7.006 0.006 13 0 "[ . 1 . 2]" 1
210 1 16 C H1' 1 17 C H2' 5.000 3.000 7.000 7.001 6.767 7.073 0.073 17 0 "[ . 1 . 2]" 1
211 1 16 C H2' 1 17 C H2' 4.000 2.500 5.500 4.402 4.092 4.764 . 0 0 "[ . 1 . 2]" 1
212 1 16 C H5 1 17 C H5 5.000 3.000 7.000 4.114 3.142 5.213 . 0 0 "[ . 1 . 2]" 1
213 1 16 C H6 1 17 C H5 5.000 3.000 7.000 4.201 3.520 5.598 . 0 0 "[ . 1 . 2]" 1
214 1 16 C H2' 1 17 C H5 5.000 3.000 7.000 4.726 3.637 5.684 . 0 0 "[ . 1 . 2]" 1
215 1 16 C H3' 1 17 C H5 4.000 2.500 5.500 4.117 2.837 5.389 . 0 0 "[ . 1 . 2]" 1
216 1 16 C H5 1 17 C H6 5.000 3.000 7.000 5.143 4.537 6.013 . 0 0 "[ . 1 . 2]" 1
217 1 16 C H6 1 17 C H6 5.000 3.000 7.000 4.506 4.107 5.188 . 0 0 "[ . 1 . 2]" 1
218 1 16 C H1' 1 17 C H6 5.000 3.000 7.000 5.824 5.439 6.394 . 0 0 "[ . 1 . 2]" 1
219 1 16 C H2' 1 17 C H6 4.000 2.500 5.500 3.183 2.546 3.862 . 0 0 "[ . 1 . 2]" 1
220 1 16 C H3' 1 17 C H6 4.000 2.500 5.500 3.264 2.467 4.256 0.033 17 0 "[ . 1 . 2]" 1
221 1 18 C H1' 1 18 C H2' 3.000 . 4.000 3.035 3.025 3.040 . 0 0 "[ . 1 . 2]" 1
222 1 18 C H1' 1 18 C H3' 4.000 2.500 5.500 3.818 3.790 3.865 . 0 0 "[ . 1 . 2]" 1
223 1 18 C H1' 1 18 C H4' 4.000 2.500 5.500 3.281 3.183 3.548 . 0 0 "[ . 1 . 2]" 1
224 1 18 C H1' 1 18 C Q5' 5.000 3.000 7.000 4.159 4.095 4.274 . 0 0 "[ . 1 . 2]" 1
225 1 18 C H2' 1 18 C Q5' 2.000 . 2.500 2.589 2.571 2.624 0.124 7 0 "[ . 1 . 2]" 1
226 1 18 C H3' 1 18 C Q5' 3.000 . 4.000 2.203 2.133 2.240 . 0 0 "[ . 1 . 2]" 1
227 1 18 C H4' 1 18 C Q5' 2.000 . 2.500 2.270 2.175 2.363 . 0 0 "[ . 1 . 2]" 1
228 1 18 C H2' 1 18 C H5 4.000 2.500 5.500 4.392 4.315 4.491 . 0 0 "[ . 1 . 2]" 1
229 1 18 C H1' 1 18 C H6 4.000 2.500 5.500 3.736 3.724 3.746 . 0 0 "[ . 1 . 2]" 1
230 1 18 C H2' 1 18 C H6 2.000 . 2.500 2.332 2.177 2.507 0.007 10 0 "[ . 1 . 2]" 1
231 1 18 C H3' 1 18 C H6 4.000 2.500 5.500 4.224 4.125 4.335 . 0 0 "[ . 1 . 2]" 1
232 1 18 C H4' 1 18 C H6 4.000 2.500 5.500 4.498 4.252 4.648 . 0 0 "[ . 1 . 2]" 1
233 1 18 C Q5' 1 18 C H6 5.000 3.000 7.000 2.944 2.900 2.971 0.100 7 0 "[ . 1 . 2]" 1
234 1 16 C H1' 1 18 C H2' 5.000 3.000 7.000 6.832 6.292 7.028 0.028 17 0 "[ . 1 . 2]" 1
235 1 17 C H1' 1 18 C Q5' 5.000 3.000 7.000 3.694 3.378 4.102 . 0 0 "[ . 1 . 2]" 1
236 1 17 C H2' 1 18 C Q5' 4.000 2.500 5.500 4.933 4.167 5.371 . 0 0 "[ . 1 . 2]" 1
237 1 16 C H6 1 18 C H5 5.000 3.000 7.000 5.940 5.331 7.002 0.002 17 0 "[ . 1 . 2]" 1
238 1 16 C H2' 1 18 C H5 4.000 2.500 5.500 3.174 2.516 4.138 . 0 0 "[ . 1 . 2]" 1
239 1 16 C H3' 1 18 C H5 4.000 2.500 5.500 5.164 4.800 5.498 . 0 0 "[ . 1 . 2]" 1
240 1 16 C H2' 1 18 C H6 4.000 2.500 5.500 4.784 4.334 5.516 0.016 9 0 "[ . 1 . 2]" 1
241 1 17 C H6 1 18 C H6 5.000 3.000 7.000 6.224 5.818 6.627 . 0 0 "[ . 1 . 2]" 1
242 1 17 C H1' 1 18 C H6 4.000 2.500 5.500 3.133 2.594 3.591 . 0 0 "[ . 1 . 2]" 1
243 1 17 C H2' 1 18 C H6 4.000 2.500 5.500 5.318 4.886 5.519 0.019 2 0 "[ . 1 . 2]" 1
244 1 19 C H1' 1 19 C H2' 3.000 . 4.000 3.018 2.992 3.026 . 0 0 "[ . 1 . 2]" 1
245 1 19 C H1' 1 19 C H3' 4.000 2.500 5.500 3.887 3.859 3.961 . 0 0 "[ . 1 . 2]" 1
246 1 19 C H1' 1 19 C H4' 4.000 2.500 5.500 3.218 2.980 3.581 . 0 0 "[ . 1 . 2]" 1
247 1 19 C H1' 1 19 C Q5' 5.000 3.000 7.000 4.160 4.060 4.288 . 0 0 "[ . 1 . 2]" 1
248 1 19 C H2' 1 19 C Q5' 3.000 . 4.000 2.905 2.518 3.724 . 0 0 "[ . 1 . 2]" 1
249 1 19 C H3' 1 19 C Q5' 2.000 . 2.500 2.177 2.120 2.269 . 0 0 "[ . 1 . 2]" 1
250 1 19 C H4' 1 19 C Q5' 2.000 . 2.500 2.328 2.173 2.464 . 0 0 "[ . 1 . 2]" 1
251 1 19 C H1' 1 19 C H5 5.000 3.000 7.000 4.599 4.576 4.611 . 0 0 "[ . 1 . 2]" 1
252 1 19 C H2' 1 19 C H5 5.000 3.000 7.000 5.428 5.370 5.449 . 0 0 "[ . 1 . 2]" 1
253 1 19 C H1' 1 19 C H6 2.000 . 2.500 2.316 2.280 2.336 . 0 0 "[ . 1 . 2]" 1
254 1 19 C H2' 1 19 C H6 3.000 . 4.000 4.025 3.953 4.076 0.076 9 0 "[ . 1 . 2]" 1
255 1 19 C H3' 1 19 C H6 5.000 3.000 7.000 5.737 5.697 5.840 . 0 0 "[ . 1 . 2]" 1
256 1 19 C H4' 1 19 C H6 5.000 3.000 7.000 5.462 5.255 5.686 . 0 0 "[ . 1 . 2]" 1
257 1 19 C Q5' 1 19 C H6 5.000 3.000 7.000 5.718 5.348 6.096 . 0 0 "[ . 1 . 2]" 1
258 1 18 C H1' 1 19 C Q5' 5.000 3.000 7.000 5.793 4.189 6.202 . 0 0 "[ . 1 . 2]" 1
259 1 18 C H2' 1 19 C Q5' 4.000 2.500 5.500 5.419 5.059 5.544 0.044 11 0 "[ . 1 . 2]" 1
260 1 17 C H1' 1 19 C H5 4.000 2.500 5.500 3.603 2.688 4.419 . 0 0 "[ . 1 . 2]" 1
261 1 17 C H2' 1 19 C H5 5.000 3.000 7.000 4.553 3.431 5.497 . 0 0 "[ . 1 . 2]" 1
262 1 18 C H2' 1 19 C H5 5.000 3.000 7.000 5.346 4.498 6.394 . 0 0 "[ . 1 . 2]" 1
263 1 17 C H1' 1 19 C H6 5.000 3.000 7.000 4.290 3.674 5.055 . 0 0 "[ . 1 . 2]" 1
264 1 17 C H2' 1 19 C H6 5.000 3.000 7.000 6.352 5.256 7.021 0.021 15 0 "[ . 1 . 2]" 1
265 1 18 C H6 1 19 C H6 5.000 3.000 7.000 5.652 4.913 6.157 . 0 0 "[ . 1 . 2]" 1
266 1 18 C H2' 1 19 C H6 5.000 3.000 7.000 4.236 3.547 5.207 . 0 0 "[ . 1 . 2]" 1
267 1 18 C H3' 1 19 C H6 5.000 3.000 7.000 4.452 4.258 4.791 . 0 0 "[ . 1 . 2]" 1
268 1 18 C H4' 1 19 C H6 5.000 3.000 7.000 6.983 6.756 7.049 0.049 8 0 "[ . 1 . 2]" 1
269 1 18 C Q5' 1 19 C H6 5.000 3.000 7.000 4.603 3.915 5.109 . 0 0 "[ . 1 . 2]" 1
270 1 20 G H1' 1 20 G H2' 3.000 . 4.000 3.026 3.010 3.033 . 0 0 "[ . 1 . 2]" 1
271 1 20 G H1' 1 20 G H3' 5.000 3.000 7.000 3.856 3.831 3.920 . 0 0 "[ . 1 . 2]" 1
272 1 20 G H1' 1 20 G H4' 4.000 2.500 5.500 3.270 2.992 3.521 . 0 0 "[ . 1 . 2]" 1
273 1 20 G H1' 1 20 G Q5' 4.000 2.500 5.500 4.261 4.169 4.352 . 0 0 "[ . 1 . 2]" 1
274 1 20 G H2' 1 20 G Q5' 3.000 . 4.000 3.170 2.634 3.920 . 0 0 "[ . 1 . 2]" 1
275 1 20 G H3' 1 20 G Q5' 3.000 . 4.000 2.259 2.123 2.493 . 0 0 "[ . 1 . 2]" 1
276 1 20 G H1' 1 20 G H8 4.000 2.500 5.500 3.883 3.878 3.890 . 0 0 "[ . 1 . 2]" 1
277 1 20 G H2' 1 20 G H8 2.000 . 2.500 2.306 2.173 2.537 0.037 16 0 "[ . 1 . 2]" 1
278 1 20 G H3' 1 20 G H8 4.000 2.500 5.500 4.314 4.137 4.432 . 0 0 "[ . 1 . 2]" 1
279 1 20 G H4' 1 20 G H8 5.000 3.000 7.000 4.908 4.758 5.089 . 0 0 "[ . 1 . 2]" 1
280 1 19 C Q5' 1 20 G H1' 5.000 4.000 7.000 5.740 5.017 6.745 . 0 0 "[ . 1 . 2]" 1
281 1 19 C Q5' 1 20 G H4' 4.000 3.000 5.500 4.417 3.322 5.514 0.014 15 0 "[ . 1 . 2]" 1
282 1 19 C H6 1 20 G H8 5.000 3.000 7.000 5.716 5.332 6.295 . 0 0 "[ . 1 . 2]" 1
283 1 19 C H1' 1 20 G H8 5.000 4.000 7.000 4.159 3.973 4.806 0.027 11 0 "[ . 1 . 2]" 1
284 1 19 C H2' 1 20 G H8 4.000 2.500 5.500 5.510 5.415 5.533 0.033 15 0 "[ . 1 . 2]" 1
285 1 19 C H3' 1 20 G H8 5.000 3.000 7.000 4.811 4.547 5.168 . 0 0 "[ . 1 . 2]" 1
286 1 19 C H4' 1 20 G H8 4.000 2.500 5.500 4.607 3.855 5.357 . 0 0 "[ . 1 . 2]" 1
287 1 21 C H1' 1 21 C H2' 3.000 . 4.000 2.750 2.707 2.782 . 0 0 "[ . 1 . 2]" 1
288 1 21 C H1' 1 21 C H3' 4.000 2.500 5.500 3.898 3.862 3.909 . 0 0 "[ . 1 . 2]" 1
289 1 21 C H1' 1 21 C H4' 3.000 . 4.000 3.460 3.323 3.631 . 0 0 "[ . 1 . 2]" 1
290 1 21 C H1' 1 21 C H5 5.000 3.000 7.000 5.334 5.218 5.381 . 0 0 "[ . 1 . 2]" 1
291 1 21 C H3' 1 21 C H5 5.000 3.000 7.000 4.724 4.368 5.118 . 0 0 "[ . 1 . 2]" 1
292 1 21 C H4' 1 21 C H5 5.000 3.000 7.000 6.380 6.188 6.488 . 0 0 "[ . 1 . 2]" 1
293 1 21 C H1' 1 21 C H6 4.000 2.500 5.500 3.577 3.402 3.648 . 0 0 "[ . 1 . 2]" 1
294 1 21 C H2' 1 21 C H6 4.000 2.500 5.500 3.791 3.530 4.169 . 0 0 "[ . 1 . 2]" 1
295 1 21 C H3' 1 21 C H6 4.000 2.500 5.500 2.947 2.616 3.580 . 0 0 "[ . 1 . 2]" 1
296 1 21 C H4' 1 21 C H6 4.000 2.500 5.500 3.954 3.763 4.055 . 0 0 "[ . 1 . 2]" 1
297 1 20 G H1' 1 21 C H1' 4.000 2.500 5.500 3.219 2.530 4.425 . 0 0 "[ . 1 . 2]" 1
298 1 20 G H2' 1 21 C H1' 5.000 3.000 7.000 5.953 5.388 6.928 . 0 0 "[ . 1 . 2]" 1
299 1 20 G H1' 1 21 C H2' 5.000 3.000 7.000 5.331 4.692 5.996 . 0 0 "[ . 1 . 2]" 1
300 1 20 G H8 1 21 C H5 5.000 3.000 7.000 6.036 4.651 7.003 0.003 13 0 "[ . 1 . 2]" 1
301 1 20 G H1' 1 21 C H5 4.000 2.500 5.500 4.684 3.588 5.510 0.010 15 0 "[ . 1 . 2]" 1
302 1 20 G H8 1 21 C H6 5.000 3.000 7.000 6.013 4.691 6.646 . 0 0 "[ . 1 . 2]" 1
303 1 20 G H1' 1 21 C H6 4.000 2.500 5.500 3.222 2.489 3.985 0.011 5 0 "[ . 1 . 2]" 1
304 1 20 G H2' 1 21 C H6 5.000 3.000 7.000 4.311 3.126 5.054 . 0 0 "[ . 1 . 2]" 1
305 1 20 G H4' 1 21 C H6 5.000 3.000 7.000 5.245 4.559 6.072 . 0 0 "[ . 1 . 2]" 1
306 1 22 A H1' 1 22 A H2' 3.000 . 4.000 2.904 2.727 3.030 . 0 0 "[ . 1 . 2]" 1
307 1 22 A H1' 1 22 A H8 4.000 2.500 5.500 3.701 3.634 3.800 . 0 0 "[ . 1 . 2]" 1
308 1 22 A H2' 1 22 A H8 3.000 . 4.000 3.743 3.216 4.083 0.083 14 0 "[ . 1 . 2]" 1
309 1 20 G H1' 1 22 A H1' 5.000 3.000 7.000 6.910 6.445 7.036 0.036 13 0 "[ . 1 . 2]" 1
310 1 21 C H2' 1 22 A H2' 5.000 3.000 7.000 5.048 4.464 5.862 . 0 0 "[ . 1 . 2]" 1
311 1 21 C H3' 1 22 A H2' 5.000 3.000 7.000 5.451 4.599 6.658 . 0 0 "[ . 1 . 2]" 1
312 1 21 C H6 1 22 A H8 5.000 3.000 7.000 3.703 3.095 4.727 . 0 0 "[ . 1 . 2]" 1
313 1 21 C H1' 1 22 A H8 5.000 3.000 7.000 5.930 5.140 6.609 . 0 0 "[ . 1 . 2]" 1
314 1 21 C H2' 1 22 A H8 4.000 2.500 5.500 4.172 2.836 5.299 . 0 0 "[ . 1 . 2]" 1
315 1 21 C H3' 1 22 A H8 4.000 2.500 5.500 3.263 2.493 3.987 0.007 8 0 "[ . 1 . 2]" 1
316 1 21 C H4' 1 22 A H8 5.000 3.000 7.000 6.044 5.282 6.766 . 0 0 "[ . 1 . 2]" 1
317 1 23 A H1' 1 23 A H2' 3.000 . 4.000 2.758 2.700 2.798 . 0 0 "[ . 1 . 2]" 1
318 1 23 A H1' 1 23 A H3' 5.000 3.000 7.000 3.884 3.851 3.905 . 0 0 "[ . 1 . 2]" 1
319 1 23 A H1' 1 23 A H4' 5.000 3.000 7.000 3.404 3.234 3.673 . 0 0 "[ . 1 . 2]" 1
320 1 23 A H1' 1 23 A Q5' 5.000 3.000 7.000 4.334 4.153 4.515 . 0 0 "[ . 1 . 2]" 1
321 1 23 A H1' 1 23 A H8 4.000 2.500 5.500 3.739 3.577 3.806 . 0 0 "[ . 1 . 2]" 1
322 1 23 A H2' 1 23 A H8 4.000 2.500 5.500 3.923 3.711 4.339 . 0 0 "[ . 1 . 2]" 1
323 1 23 A H3' 1 23 A H8 4.000 2.500 5.500 3.167 2.866 3.658 . 0 0 "[ . 1 . 2]" 1
324 1 23 A H4' 1 23 A H8 5.000 3.000 7.000 4.352 4.172 4.469 . 0 0 "[ . 1 . 2]" 1
325 1 23 A Q5' 1 23 A H8 4.000 2.500 5.500 2.996 2.470 3.748 0.030 12 0 "[ . 1 . 2]" 1
326 1 22 A H1' 1 23 A H1' 5.000 3.000 7.000 6.921 6.713 7.063 0.063 9 0 "[ . 1 . 2]" 1
327 1 22 A H8 1 23 A H8 5.000 3.000 7.000 6.777 5.631 7.036 0.036 16 0 "[ . 1 . 2]" 1
328 1 22 A H1' 1 23 A H8 4.000 2.500 5.500 4.268 3.339 5.193 . 0 0 "[ . 1 . 2]" 1
329 1 22 A H2' 1 23 A H8 4.000 2.500 5.500 3.502 2.468 4.925 0.032 9 0 "[ . 1 . 2]" 1
330 1 24 U H1' 1 24 U H2' 5.000 3.000 7.000 2.851 2.810 2.864 0.190 9 0 "[ . 1 . 2]" 1
331 1 24 U H2' 1 24 U H6 4.000 2.500 5.500 3.584 3.405 3.769 . 0 0 "[ . 1 . 2]" 1
332 1 23 A H8 1 24 U H5 5.000 3.000 7.000 3.385 3.001 4.736 . 0 0 "[ . 1 . 2]" 1
333 1 23 A H2' 1 24 U H5 5.000 3.000 7.000 4.643 4.161 5.574 . 0 0 "[ . 1 . 2]" 1
334 1 23 A H3' 1 24 U H5 5.000 3.000 7.000 3.383 3.112 3.878 . 0 0 "[ . 1 . 2]" 1
335 1 23 A H4' 1 24 U H5 5.000 3.000 7.000 6.089 5.808 6.683 . 0 0 "[ . 1 . 2]" 1
336 1 23 A H8 1 24 U H6 5.000 3.000 7.000 3.994 3.619 4.688 . 0 0 "[ . 1 . 2]" 1
337 1 23 A H1' 1 24 U H6 5.000 3.000 7.000 5.131 4.778 5.862 . 0 0 "[ . 1 . 2]" 1
338 1 23 A H2' 1 24 U H6 4.000 2.500 5.500 2.794 2.467 3.943 0.033 7 0 "[ . 1 . 2]" 1
339 1 23 A H3' 1 24 U H6 4.000 2.500 5.500 2.442 2.361 2.623 0.139 8 0 "[ . 1 . 2]" 1
340 1 25 U H1' 1 25 U H2' 3.000 . 4.000 2.741 2.702 2.830 . 0 0 "[ . 1 . 2]" 1
341 1 25 U H1' 1 25 U Q5' 4.000 2.500 5.500 4.433 4.337 4.457 . 0 0 "[ . 1 . 2]" 1
342 1 25 U H1' 1 25 U H6 4.000 2.500 5.500 3.635 3.606 3.684 . 0 0 "[ . 1 . 2]" 1
343 1 25 U H2' 1 25 U H6 4.000 2.500 5.500 3.627 3.222 3.786 . 0 0 "[ . 1 . 2]" 1
344 1 24 U H5 1 25 U H5 5.000 3.000 7.000 5.505 3.594 6.125 . 0 0 "[ . 1 . 2]" 1
345 1 24 U H6 1 25 U H5 5.000 3.000 7.000 5.038 3.771 5.426 . 0 0 "[ . 1 . 2]" 1
346 1 24 U H2' 1 25 U H5 4.000 2.500 5.500 2.877 2.712 3.314 . 0 0 "[ . 1 . 2]" 1
347 1 24 U H6 1 25 U H6 5.000 3.000 7.000 5.647 4.805 5.917 . 0 0 "[ . 1 . 2]" 1
348 1 24 U H2' 1 25 U H6 2.000 . 2.500 2.236 2.171 2.332 . 0 0 "[ . 1 . 2]" 1
349 1 26 U H1' 1 26 U H2' 3.000 . 4.000 2.793 2.713 2.852 . 0 0 "[ . 1 . 2]" 1
350 1 26 U H1' 1 26 U H3' 4.000 2.500 5.500 3.893 3.848 3.930 . 0 0 "[ . 1 . 2]" 1
351 1 26 U H1' 1 26 U H5 4.000 2.500 5.500 5.378 5.356 5.400 . 0 0 "[ . 1 . 2]" 1
352 1 26 U H3' 1 26 U H5 5.000 3.000 7.000 4.706 4.306 5.113 . 0 0 "[ . 1 . 2]" 1
353 1 26 U H1' 1 26 U H6 4.000 2.500 5.500 3.639 3.607 3.676 . 0 0 "[ . 1 . 2]" 1
354 1 26 U H2' 1 26 U H6 4.000 2.500 5.500 3.518 3.259 3.714 . 0 0 "[ . 1 . 2]" 1
355 1 26 U H3' 1 26 U H6 4.000 2.500 5.500 2.760 2.487 3.145 0.013 16 0 "[ . 1 . 2]" 1
356 1 25 U H2' 1 26 U H1' 4.000 2.500 5.500 4.501 4.179 4.942 . 0 0 "[ . 1 . 2]" 1
357 1 25 U H2' 1 26 U H5 4.000 2.500 5.500 3.214 2.456 3.917 0.044 14 0 "[ . 1 . 2]" 1
358 1 25 U H6 1 26 U H6 5.000 3.000 7.000 5.048 4.431 5.722 . 0 0 "[ . 1 . 2]" 1
359 1 25 U H1' 1 26 U H6 4.000 2.500 5.500 4.723 4.433 4.916 . 0 0 "[ . 1 . 2]" 1
360 1 25 U H2' 1 26 U H6 2.000 . 2.500 2.180 2.156 2.257 . 0 0 "[ . 1 . 2]" 1
361 1 27 C H1' 1 27 C H2' 3.000 . 4.000 2.748 2.721 2.786 . 0 0 "[ . 1 . 2]" 1
362 1 27 C H1' 1 27 C H3' 3.000 . 4.000 3.867 3.855 3.885 . 0 0 "[ . 1 . 2]" 1
363 1 27 C H1' 1 27 C H4' 4.000 2.500 5.500 3.406 3.256 3.512 . 0 0 "[ . 1 . 2]" 1
364 1 27 C H1' 1 27 C H5 5.000 3.000 7.000 5.395 5.371 5.409 . 0 0 "[ . 1 . 2]" 1
365 1 27 C H1' 1 27 C H6 4.000 2.500 5.500 3.668 3.636 3.688 . 0 0 "[ . 1 . 2]" 1
366 1 27 C H2' 1 27 C H6 4.000 2.500 5.500 3.489 3.387 3.630 . 0 0 "[ . 1 . 2]" 1
367 1 27 C H3' 1 27 C H6 3.000 . 4.000 2.413 2.257 2.713 . 0 0 "[ . 1 . 2]" 1
368 1 10 A H1' 1 27 C H1' 5.000 3.000 7.000 7.046 6.914 7.116 0.116 17 0 "[ . 1 . 2]" 1
369 1 26 U H6 1 27 C H6 5.000 3.000 7.000 5.246 4.211 5.846 . 0 0 "[ . 1 . 2]" 1
370 1 26 U H1' 1 27 C H6 4.000 2.500 5.500 4.830 4.420 5.006 . 0 0 "[ . 1 . 2]" 1
371 1 26 U H2' 1 27 C H6 2.000 . 2.500 2.272 2.187 2.456 . 0 0 "[ . 1 . 2]" 1
372 1 28 C H1' 1 28 C H2' 3.000 . 4.000 2.836 2.784 2.856 . 0 0 "[ . 1 . 2]" 1
373 1 28 C H1' 1 28 C H6 4.000 2.500 5.500 3.641 3.615 3.657 . 0 0 "[ . 1 . 2]" 1
374 1 27 C H2' 1 28 C H1' 4.000 2.500 5.500 4.000 3.886 4.112 . 0 0 "[ . 1 . 2]" 1
375 1 27 C H6 1 28 C H1' 5.000 3.000 7.000 7.032 6.912 7.096 0.096 16 0 "[ . 1 . 2]" 1
376 1 27 C H5 1 28 C H5 5.000 3.000 7.000 3.064 2.965 3.497 0.035 12 0 "[ . 1 . 2]" 1
377 1 27 C H6 1 28 C H5 5.000 3.000 7.000 3.590 3.259 3.866 . 0 0 "[ . 1 . 2]" 1
378 1 27 C H5 1 28 C H6 5.000 3.000 7.000 4.937 4.764 5.242 . 0 0 "[ . 1 . 2]" 1
379 1 27 C H6 1 28 C H6 5.000 3.000 7.000 4.245 4.150 4.478 . 0 0 "[ . 1 . 2]" 1
380 1 27 C H1' 1 28 C H6 4.000 2.500 5.500 4.812 4.711 4.904 . 0 0 "[ . 1 . 2]" 1
381 1 27 C H2' 1 28 C H6 2.000 . 2.500 2.193 2.179 2.232 . 0 0 "[ . 1 . 2]" 1
382 1 29 C H1' 1 29 C H2' 3.000 . 4.000 2.764 2.746 2.817 . 0 0 "[ . 1 . 2]" 1
383 1 29 C H1' 1 29 C H6 4.000 2.500 5.500 3.682 3.671 3.686 . 0 0 "[ . 1 . 2]" 1
384 1 28 C H2' 1 29 C H1' 4.000 2.500 5.500 5.160 4.720 5.315 . 0 0 "[ . 1 . 2]" 1
385 1 28 C H1' 1 29 C H6 4.000 2.500 5.500 4.754 4.651 4.958 . 0 0 "[ . 1 . 2]" 1
386 1 28 C H2' 1 29 C H6 2.000 . 2.500 2.194 2.182 2.221 . 0 0 "[ . 1 . 2]" 1
387 1 30 C H1' 1 30 C H2' 3.000 . 4.000 2.769 2.726 2.831 . 0 0 "[ . 1 . 2]" 1
388 1 30 C H1' 1 30 C H3' 4.000 2.500 5.500 3.886 3.861 3.918 . 0 0 "[ . 1 . 2]" 1
389 1 30 C H1' 1 30 C H6 4.000 2.500 5.500 3.669 3.659 3.683 . 0 0 "[ . 1 . 2]" 1
390 1 30 C H3' 1 30 C H6 3.000 . 4.000 2.528 2.373 2.805 . 0 0 "[ . 1 . 2]" 1
391 1 29 C H1' 1 30 C H6 4.000 2.500 5.500 4.942 4.828 5.091 . 0 0 "[ . 1 . 2]" 1
392 1 29 C H2' 1 30 C H6 2.000 . 2.500 2.244 2.194 2.396 . 0 0 "[ . 1 . 2]" 1
393 1 29 C H2' 1 30 C H5 4.000 2.500 5.500 3.284 2.950 3.686 . 0 0 "[ . 1 . 2]" 1
394 1 31 A H1' 1 31 A H2' 3.000 . 4.000 2.742 2.694 2.804 . 0 0 "[ . 1 . 2]" 1
395 1 31 A H1' 1 31 A H8 4.000 2.500 5.500 3.813 3.800 3.826 . 0 0 "[ . 1 . 2]" 1
396 1 31 A H2' 1 31 A H8 5.000 3.000 7.000 3.651 3.531 3.758 . 0 0 "[ . 1 . 2]" 1
397 1 30 C H1' 1 31 A H1' 5.000 3.000 7.000 5.682 5.350 5.983 . 0 0 "[ . 1 . 2]" 1
398 1 30 C H6 1 31 A H8 5.000 3.000 7.000 4.979 4.419 5.435 . 0 0 "[ . 1 . 2]" 1
399 1 30 C H1' 1 31 A H8 4.000 2.500 5.500 4.875 4.577 5.051 . 0 0 "[ . 1 . 2]" 1
400 1 30 C H2' 1 31 A H8 2.000 . 2.500 2.205 2.179 2.408 . 0 0 "[ . 1 . 2]" 1
401 1 30 C H3' 1 31 A H8 3.000 . 4.000 3.413 3.082 3.719 . 0 0 "[ . 1 . 2]" 1
402 1 32 U H1' 1 32 U H2' 3.000 . 4.000 2.758 2.734 2.804 . 0 0 "[ . 1 . 2]" 1
403 1 32 U H1' 1 32 U H5 5.000 3.000 7.000 5.383 5.368 5.392 . 0 0 "[ . 1 . 2]" 1
404 1 32 U H1' 1 32 U H6 4.000 2.500 5.500 3.645 3.623 3.657 . 0 0 "[ . 1 . 2]" 1
405 1 32 U H2' 1 32 U H6 5.000 3.000 7.000 3.584 3.530 3.702 . 0 0 "[ . 1 . 2]" 1
406 1 31 A H1' 1 32 U H1' 5.000 3.000 7.000 5.039 4.783 5.389 . 0 0 "[ . 1 . 2]" 1
407 1 31 A H8 1 32 U H1' 5.000 3.000 7.000 7.117 6.985 7.180 0.180 11 0 "[ . 1 . 2]" 1
408 1 31 A H8 1 32 U H5 5.000 3.000 7.000 4.561 3.701 5.015 . 0 0 "[ . 1 . 2]" 1
409 1 31 A H1' 1 32 U H5 5.000 3.000 7.000 5.979 5.735 6.151 . 0 0 "[ . 1 . 2]" 1
410 1 31 A H2' 1 32 U H5 4.000 2.500 5.500 3.606 3.245 3.909 . 0 0 "[ . 1 . 2]" 1
411 1 31 A H8 1 32 U H6 5.000 3.000 7.000 5.038 4.359 5.436 . 0 0 "[ . 1 . 2]" 1
412 1 31 A H1' 1 32 U H6 4.000 2.500 5.500 4.848 4.722 4.905 . 0 0 "[ . 1 . 2]" 1
413 1 31 A H2' 1 32 U H6 2.000 . 2.500 2.187 2.171 2.199 . 0 0 "[ . 1 . 2]" 1
414 1 33 C H1' 1 33 C H2' 3.000 . 4.000 2.854 2.829 2.859 . 0 0 "[ . 1 . 2]" 1
415 1 33 C H1' 1 33 C H3' 4.000 2.500 5.500 3.907 3.896 3.917 . 0 0 "[ . 1 . 2]" 1
416 1 33 C H1' 1 33 C H6 4.000 2.500 5.500 3.584 3.530 3.630 . 0 0 "[ . 1 . 2]" 1
417 1 33 C H2' 1 33 C H6 4.000 2.500 5.500 3.644 3.534 3.782 . 0 0 "[ . 1 . 2]" 1
418 1 33 C H3' 1 33 C H6 3.000 . 4.000 3.247 2.963 3.445 . 0 0 "[ . 1 . 2]" 1
419 1 3 A H1' 1 33 C H1' 5.000 3.000 7.000 6.981 6.529 7.053 0.053 16 0 "[ . 1 . 2]" 1
420 1 32 U H5 1 33 C H1' 5.000 3.000 7.000 7.083 7.032 7.122 0.122 8 0 "[ . 1 . 2]" 1
421 1 32 U H5 1 33 C H6 5.000 3.000 7.000 4.439 4.275 4.958 . 0 0 "[ . 1 . 2]" 1
422 1 32 U H6 1 33 C H6 5.000 3.000 7.000 3.981 3.890 4.224 . 0 0 "[ . 1 . 2]" 1
423 1 32 U H1' 1 33 C H6 4.000 2.500 5.500 4.738 4.559 4.907 . 0 0 "[ . 1 . 2]" 1
424 1 32 U H2' 1 33 C H6 2.000 . 2.500 2.270 2.194 2.424 . 0 0 "[ . 1 . 2]" 1
425 1 34 C H1' 1 34 C H2' 3.000 . 4.000 2.817 2.785 2.910 . 0 0 "[ . 1 . 2]" 1
426 1 34 C H1' 1 34 C H3' 3.000 . 4.000 3.862 3.847 3.897 . 0 0 "[ . 1 . 2]" 1
427 1 34 C H1' 1 34 C H5 5.000 3.000 7.000 5.402 5.395 5.407 . 0 0 "[ . 1 . 2]" 1
428 1 34 C H2' 1 34 C H5 4.000 2.500 5.500 4.855 4.695 4.914 . 0 0 "[ . 1 . 2]" 1
429 1 34 C H3' 1 34 C H5 5.000 3.000 7.000 4.685 4.492 5.250 . 0 0 "[ . 1 . 2]" 1
430 1 34 C H1' 1 34 C H6 4.000 2.500 5.500 3.682 3.670 3.688 . 0 0 "[ . 1 . 2]" 1
431 1 34 C H2' 1 34 C H6 4.000 2.500 5.500 3.298 3.069 3.375 . 0 0 "[ . 1 . 2]" 1
432 1 34 C H3' 1 34 C H6 3.000 . 4.000 2.573 2.401 3.029 . 0 0 "[ . 1 . 2]" 1
433 1 33 C H6 1 34 C H5 5.000 3.000 7.000 4.486 3.834 5.003 . 0 0 "[ . 1 . 2]" 1
434 1 33 C H1' 1 34 C H5 4.000 2.500 5.500 5.436 5.097 5.526 0.026 19 0 "[ . 1 . 2]" 1
435 1 33 C H2' 1 34 C H5 4.000 2.500 5.500 3.009 2.626 3.540 . 0 0 "[ . 1 . 2]" 1
436 1 33 C H6 1 34 C H6 5.000 3.000 7.000 5.528 4.733 5.892 . 0 0 "[ . 1 . 2]" 1
437 1 33 C H1' 1 34 C H6 4.000 2.500 5.500 5.081 4.883 5.294 . 0 0 "[ . 1 . 2]" 1
438 1 33 C H2' 1 34 C H6 2.000 . 2.500 2.345 2.204 2.505 0.005 14 0 "[ . 1 . 2]" 1
439 1 2 G H1 1 32 U H3 4.000 2.500 5.500 4.800 4.598 5.073 . 0 0 "[ . 1 . 2]" 1
440 1 2 G H1 1 2 G H22 4.000 . 5.500 2.261 2.226 2.410 . 0 0 "[ . 1 . 2]" 1
441 1 2 G H1 1 2 G H21 4.000 2.500 5.500 3.465 3.368 3.492 . 0 0 "[ . 1 . 2]" 1
442 1 2 G H1 1 3 A H2 4.000 2.500 5.500 5.141 4.884 5.507 0.007 16 0 "[ . 1 . 2]" 1
443 1 2 G H1 1 33 C H42 4.000 2.500 5.500 4.584 4.505 4.637 . 0 0 "[ . 1 . 2]" 1
444 1 2 G H1 1 33 C H41 4.000 2.500 5.500 3.185 3.102 3.242 . 0 0 "[ . 1 . 2]" 1
445 1 2 G H1 1 34 C H5 4.000 2.500 5.500 4.901 4.333 5.409 . 0 0 "[ . 1 . 2]" 1
446 1 4 U H1' 1 4 U H3 4.000 2.500 5.500 4.544 4.533 4.555 . 0 0 "[ . 1 . 2]" 1
447 1 4 U H3 1 5 G H1 4.000 2.500 5.500 4.697 4.398 4.969 . 0 0 "[ . 1 . 2]" 1
448 1 4 U H3 1 31 A H61 4.000 2.500 5.500 3.107 2.581 3.379 . 0 0 "[ . 1 . 2]" 1
449 1 4 U H3 1 31 A H62 4.000 2.500 5.500 4.493 3.984 4.759 . 0 0 "[ . 1 . 2]" 1
450 1 4 U H3 1 31 A H2 3.000 . 4.000 2.376 2.201 2.804 . 0 0 "[ . 1 . 2]" 1
451 1 4 U H3 1 30 C H41 5.000 3.000 7.000 5.433 4.914 5.881 . 0 0 "[ . 1 . 2]" 1
452 1 4 U H3 1 32 U H1' 4.000 2.500 5.500 5.568 5.542 5.596 0.096 12 0 "[ . 1 . 2]" 1
453 1 5 G H1 1 6 G H1 4.000 2.500 5.500 4.605 4.085 4.952 . 0 0 "[ . 1 . 2]" 1
454 1 5 G H1 1 5 G H22 3.000 . 4.000 2.233 2.218 2.331 . 0 0 "[ . 1 . 2]" 1
455 1 5 G H1 1 5 G H21 4.000 2.500 5.500 3.477 3.415 3.488 . 0 0 "[ . 1 . 2]" 1
456 1 5 G H1 1 30 C H42 3.000 . 4.000 3.696 3.533 3.937 . 0 0 "[ . 1 . 2]" 1
457 1 5 G H1 1 30 C H41 3.000 . 4.000 2.155 1.996 2.405 0.004 12 0 "[ . 1 . 2]" 1
458 1 5 G H1 1 30 C H5 4.000 2.500 5.500 4.859 4.744 5.008 . 0 0 "[ . 1 . 2]" 1
459 1 5 G H1 1 31 A H2 4.000 2.500 5.500 4.723 4.303 5.259 . 0 0 "[ . 1 . 2]" 1
460 1 5 G H1 1 31 A H62 4.000 2.500 5.500 4.050 3.369 4.863 . 0 0 "[ . 1 . 2]" 1
461 1 6 G H1 1 6 G H22 3.000 . 4.000 2.224 2.218 2.239 . 0 0 "[ . 1 . 2]" 1
462 1 6 G H1 1 6 G H21 3.000 . 4.000 3.485 3.473 3.489 . 0 0 "[ . 1 . 2]" 1
463 1 6 G H1 1 29 C H5 4.000 2.500 5.500 5.147 5.058 5.266 . 0 0 "[ . 1 . 2]" 1
464 1 6 G H1 1 29 C H42 4.000 2.500 5.500 4.177 3.986 4.451 . 0 0 "[ . 1 . 2]" 1
465 1 6 G H1 1 29 C H41 4.000 2.500 5.500 2.721 2.484 3.059 0.016 18 0 "[ . 1 . 2]" 1
466 1 6 G H1 1 7 G H1' 4.000 2.500 5.500 5.138 4.830 5.418 . 0 0 "[ . 1 . 2]" 1
467 1 7 G H1 1 7 G H21 3.000 . 4.000 3.479 3.446 3.490 . 0 0 "[ . 1 . 2]" 1
468 1 7 G H1 1 7 G H22 3.000 . 4.000 2.235 2.220 2.288 . 0 0 "[ . 1 . 2]" 1
469 1 7 G H1 1 8 G H1 4.000 2.500 5.500 3.725 3.487 4.051 . 0 0 "[ . 1 . 2]" 1
470 1 7 G H1 1 8 G H1' 4.000 2.500 5.500 5.441 5.013 5.571 0.071 10 0 "[ . 1 . 2]" 1
471 1 7 G H1 1 28 C H42 4.000 2.500 5.500 4.418 4.007 4.608 . 0 0 "[ . 1 . 2]" 1
472 1 7 G H1 1 28 C H41 3.000 . 3.900 2.982 2.520 3.219 . 0 0 "[ . 1 . 2]" 1
473 1 7 G H1 1 29 C H5 4.000 2.500 5.500 4.701 4.390 5.069 . 0 0 "[ . 1 . 2]" 1
474 1 8 G H1 1 8 G H21 3.000 . 4.000 3.460 3.143 3.483 . 0 0 "[ . 1 . 2]" 1
475 1 8 G H1 1 8 G H22 3.000 . 4.000 2.253 2.218 2.686 . 0 0 "[ . 1 . 2]" 1
476 1 8 G H1 1 9 A H62 4.000 2.500 5.500 5.034 3.644 5.526 0.026 8 0 "[ . 1 . 2]" 1
477 1 8 G H1 1 26 U H3 4.000 2.500 5.500 4.401 4.072 4.679 . 0 0 "[ . 1 . 2]" 1
478 1 8 G H1 1 27 C H42 3.000 . 4.000 3.535 3.442 3.656 . 0 0 "[ . 1 . 2]" 1
479 1 8 G H1 1 27 C H41 3.000 . 4.000 1.990 1.958 2.100 0.042 8 0 "[ . 1 . 2]" 1
480 1 8 G H1 1 27 C H5 4.000 2.500 5.500 4.716 4.659 4.838 . 0 0 "[ . 1 . 2]" 1
481 1 8 G H1 1 28 C H5 4.000 2.500 5.500 4.612 4.240 5.354 . 0 0 "[ . 1 . 2]" 1
482 1 12 G H1 1 24 U H3 4.000 2.500 5.500 5.076 4.555 5.473 . 0 0 "[ . 1 . 2]" 1
483 1 12 G H1 1 12 G H21 4.000 2.500 5.500 3.481 3.469 3.487 . 0 0 "[ . 1 . 2]" 1
484 1 12 G H1 1 12 G H22 4.000 . 5.500 2.222 2.213 2.234 . 0 0 "[ . 1 . 2]" 1
485 1 12 G H1 1 22 A H1' 5.000 3.000 7.000 6.229 4.851 7.033 0.033 9 0 "[ . 1 . 2]" 1
486 1 12 G H1 1 22 A H8 5.000 3.000 7.000 5.403 4.237 7.065 0.065 16 0 "[ . 1 . 2]" 1
487 1 12 G H1 1 23 A H8 5.000 3.000 7.000 6.199 5.417 6.704 . 0 0 "[ . 1 . 2]" 1
488 1 11 A H62 1 12 G H1 5.000 3.000 7.000 3.280 2.972 4.711 0.028 20 0 "[ . 1 . 2]" 1
489 1 11 A H61 1 12 G H1 5.000 3.000 7.000 3.074 2.969 3.598 0.031 4 0 "[ . 1 . 2]" 1
490 1 15 G H1 1 15 G H21 4.000 2.500 5.500 3.484 3.467 3.490 . 0 0 "[ . 1 . 2]" 1
491 1 15 G H1 1 15 G H22 4.000 . 5.500 2.227 2.217 2.251 . 0 0 "[ . 1 . 2]" 1
492 1 15 G H1 1 20 G H1 4.000 2.500 5.500 4.236 3.403 5.013 . 0 0 "[ . 1 . 2]" 1
493 1 15 G H1 1 21 C H42 4.000 2.500 5.500 4.383 4.077 4.588 . 0 0 "[ . 1 . 2]" 1
494 1 15 G H1 1 21 C H41 4.000 2.500 5.500 2.962 2.558 3.256 . 0 0 "[ . 1 . 2]" 1
495 1 15 G H22 1 20 G H1 5.000 3.000 7.000 3.738 3.073 4.674 . 0 0 "[ . 1 . 2]" 1
496 1 16 C H42 1 20 G H1 4.000 2.500 5.500 4.249 4.002 4.574 . 0 0 "[ . 1 . 2]" 1
497 1 16 C H41 1 20 G H1 4.000 2.500 5.500 2.785 2.522 3.181 . 0 0 "[ . 1 . 2]" 1
498 1 20 G H1 1 20 G H21 4.000 2.500 5.500 3.472 3.447 3.488 . 0 0 "[ . 1 . 2]" 1
499 1 20 G H1 1 20 G H22 4.000 . 5.500 2.244 2.219 2.283 . 0 0 "[ . 1 . 2]" 1
500 1 11 A H62 1 24 U H3 4.000 2.500 5.500 4.274 3.935 4.671 . 0 0 "[ . 1 . 2]" 1
501 1 11 A H61 1 24 U H3 4.000 2.500 5.500 2.864 2.472 3.284 0.028 12 0 "[ . 1 . 2]" 1
502 1 24 U H3 1 25 U H1' 4.000 2.500 5.500 5.514 5.206 5.574 0.074 16 0 "[ . 1 . 2]" 1
503 1 24 U H2' 1 24 U H3 4.000 2.500 5.500 4.531 4.370 4.650 . 0 0 "[ . 1 . 2]" 1
504 1 24 U H3 1 25 U H3 4.000 2.500 5.500 4.297 3.308 4.649 . 0 0 "[ . 1 . 2]" 1
505 1 11 A H2 1 24 U H3 3.000 . 4.000 2.404 2.202 2.719 . 0 0 "[ . 1 . 2]" 1
506 1 12 G H1' 1 24 U H3 4.000 2.500 5.500 3.931 3.444 4.624 . 0 0 "[ . 1 . 2]" 1
507 1 9 A H2 1 25 U H3 4.000 2.500 5.500 5.571 5.430 5.645 0.145 11 0 "[ . 1 . 2]" 1
508 1 10 A H61 1 25 U H3 3.000 . 4.000 2.796 2.233 3.275 . 0 0 "[ . 1 . 2]" 1
509 1 10 A H62 1 25 U H3 4.000 2.500 5.500 4.221 3.729 4.672 . 0 0 "[ . 1 . 2]" 1
510 1 10 A H2 1 25 U H3 3.000 . 4.000 2.459 2.213 2.867 . 0 0 "[ . 1 . 2]" 1
511 1 25 U H1' 1 25 U H3 4.000 2.500 5.500 4.544 4.498 4.569 . 0 0 "[ . 1 . 2]" 1
512 1 25 U H3 1 26 U H3 4.000 2.500 5.500 4.057 3.590 4.577 . 0 0 "[ . 1 . 2]" 1
513 1 9 A H61 1 26 U H3 3.000 . 4.000 3.051 2.484 3.427 . 0 0 "[ . 1 . 2]" 1
514 1 9 A H62 1 26 U H3 4.000 2.500 5.500 4.472 3.969 4.819 . 0 0 "[ . 1 . 2]" 1
515 1 9 A H2 1 26 U H3 3.000 . 4.000 2.382 2.201 2.774 . 0 0 "[ . 1 . 2]" 1
516 1 10 A H2 1 26 U H3 4.000 2.500 5.500 3.540 3.146 4.105 . 0 0 "[ . 1 . 2]" 1
517 1 10 A H1' 1 26 U H3 4.000 2.500 5.500 5.296 5.074 5.498 . 0 0 "[ . 1 . 2]" 1
518 1 26 U H1' 1 26 U H3 4.000 2.500 5.500 4.532 4.501 4.558 . 0 0 "[ . 1 . 2]" 1
519 1 26 U H3 1 27 C H41 4.000 2.500 5.500 4.336 3.639 4.951 . 0 0 "[ . 1 . 2]" 1
520 1 2 G H22 1 32 U H3 5.000 3.000 7.000 5.686 4.831 6.033 . 0 0 "[ . 1 . 2]" 1
521 1 4 U H3 1 32 U H3 4.000 2.500 5.500 3.817 3.208 4.060 . 0 0 "[ . 1 . 2]" 1
522 1 3 A H61 1 32 U H3 4.000 2.500 5.500 2.468 2.450 2.512 0.050 19 0 "[ . 1 . 2]" 1
523 1 3 A H62 1 32 U H3 4.000 2.500 5.500 3.821 3.016 4.073 . 0 0 "[ . 1 . 2]" 1
524 1 3 A H2 1 32 U H3 3.000 . 4.000 3.029 2.824 3.228 . 0 0 "[ . 1 . 2]" 1
525 1 31 A H2 1 32 U H3 5.000 3.000 7.000 4.458 4.090 4.840 . 0 0 "[ . 1 . 2]" 1
526 1 32 U H1' 1 32 U H3 4.000 2.500 5.500 4.526 4.516 4.548 . 0 0 "[ . 1 . 2]" 1
527 1 32 U H3 1 33 C H41 5.000 3.000 7.000 4.692 4.407 5.017 . 0 0 "[ . 1 . 2]" 1
528 1 3 A H1' 1 3 A H2 5.000 3.000 7.000 4.695 4.665 4.737 . 0 0 "[ . 1 . 2]" 1
529 1 3 A H2 1 4 U H1' 3.000 . 4.000 4.093 4.045 4.135 0.135 14 0 "[ . 1 . 2]" 1
530 1 3 A H2 1 4 U H6 5.000 3.000 7.000 5.170 5.052 5.386 . 0 0 "[ . 1 . 2]" 1
531 1 3 A H2 1 33 C H1' 3.000 . 4.000 3.980 3.653 4.034 0.034 9 0 "[ . 1 . 2]" 1
532 1 3 A H2 1 33 C H6 5.000 3.000 7.000 6.002 5.503 6.444 . 0 0 "[ . 1 . 2]" 1
533 1 9 A H2 1 9 A H8 5.000 3.000 7.000 6.400 6.394 6.402 . 0 0 "[ . 1 . 2]" 1
534 1 9 A H1' 1 9 A H2 5.000 3.000 7.000 4.700 4.680 4.772 . 0 0 "[ . 1 . 2]" 1
535 1 9 A H2 1 10 A H1' 4.000 2.500 5.500 3.416 3.294 3.611 . 0 0 "[ . 1 . 2]" 1
536 1 9 A H2 1 10 A H2' 4.000 2.500 5.500 5.548 5.517 5.645 0.145 18 0 "[ . 1 . 2]" 1
537 1 9 A H2 1 10 A H8 5.000 3.000 7.000 5.013 4.406 5.322 . 0 0 "[ . 1 . 2]" 1
538 1 9 A H2 1 26 U H1' 5.000 3.000 7.000 5.179 4.810 5.614 . 0 0 "[ . 1 . 2]" 1
539 1 9 A H2 1 27 C H1' 4.000 2.500 5.500 4.700 4.221 5.258 . 0 0 "[ . 1 . 2]" 1
540 1 9 A H2 1 27 C H6 5.000 3.000 7.000 6.448 5.996 6.773 . 0 0 "[ . 1 . 2]" 1
541 1 9 A H2 1 10 A H2 5.000 3.000 7.000 4.191 3.946 4.469 . 0 0 "[ . 1 . 2]" 1
542 1 10 A H1' 1 10 A H2 5.000 3.000 7.000 4.709 4.667 4.738 . 0 0 "[ . 1 . 2]" 1
543 1 10 A H2 1 11 A H1' 4.000 2.500 5.500 4.255 3.462 5.562 0.062 14 0 "[ . 1 . 2]" 1
544 1 10 A H2 1 25 U H1' 4.000 2.500 5.500 5.026 4.420 5.451 . 0 0 "[ . 1 . 2]" 1
545 1 10 A H2 1 26 U H6 5.000 3.000 7.000 5.323 4.947 5.886 . 0 0 "[ . 1 . 2]" 1
546 1 10 A H2 1 11 A H2 5.000 3.000 7.000 4.893 4.399 5.795 . 0 0 "[ . 1 . 2]" 1
547 1 11 A H1' 1 11 A H2 5.000 3.000 7.000 4.706 4.570 4.745 . 0 0 "[ . 1 . 2]" 1
548 1 11 A H2 1 12 G H1' 4.000 2.500 5.500 2.994 2.884 3.135 . 0 0 "[ . 1 . 2]" 1
549 1 11 A H2 1 12 G H2' 4.000 2.500 5.500 5.623 5.579 5.685 0.185 20 0 "[ . 1 . 2]" 1
550 1 13 A H1' 1 13 A H2 5.000 3.000 7.000 4.889 4.632 5.135 . 0 0 "[ . 1 . 2]" 1
551 1 13 A H2 1 14 A H1' 4.000 2.500 5.500 5.043 4.381 5.511 0.011 4 0 "[ . 1 . 2]" 1
552 1 13 A H2 1 14 A H8 5.000 3.000 7.000 5.302 4.879 5.997 . 0 0 "[ . 1 . 2]" 1
553 1 13 A H2 1 23 A H1' 4.000 2.500 5.500 4.740 4.027 5.334 . 0 0 "[ . 1 . 2]" 1
554 1 13 A H2 1 15 G H1' 5.000 3.000 7.000 3.685 2.961 5.382 0.039 6 0 "[ . 1 . 2]" 1
555 1 13 A H2 1 23 A H8 5.000 3.000 7.000 6.919 6.176 7.042 0.042 20 0 "[ . 1 . 2]" 1
556 1 13 A H2 1 14 A H2 5.000 3.000 7.000 3.589 2.974 4.659 0.026 15 0 "[ . 1 . 2]" 1
557 1 14 A H1' 1 14 A H2 5.000 3.000 7.000 4.702 4.571 4.996 . 0 0 "[ . 1 . 2]" 1
558 1 14 A H2 1 15 G H1' 4.000 2.500 5.500 4.955 4.419 5.520 0.020 16 0 "[ . 1 . 2]" 1
559 1 14 A H2 1 15 G H8 5.000 3.000 7.000 6.991 6.614 7.057 0.057 9 0 "[ . 1 . 2]" 1
560 1 14 A H2 1 23 A H1' 4.000 2.500 5.500 4.999 4.368 5.549 0.049 19 0 "[ . 1 . 2]" 1
561 1 12 G H1' 1 22 A H2 5.000 3.000 7.000 6.008 5.033 6.557 . 0 0 "[ . 1 . 2]" 1
562 1 13 A H8 1 22 A H2 5.000 3.000 7.000 6.080 3.001 6.985 . 0 0 "[ . 1 . 2]" 1
563 1 13 A H1' 1 23 A H2 5.000 3.000 7.000 4.199 3.002 4.924 . 0 0 "[ . 1 . 2]" 1
564 1 13 A H2' 1 23 A H2 4.000 2.500 5.500 5.323 4.547 5.561 0.061 9 0 "[ . 1 . 2]" 1
565 1 13 A H8 1 23 A H2 5.000 3.000 7.000 6.306 4.966 7.054 0.054 7 0 "[ . 1 . 2]" 1
566 1 14 A H2' 1 23 A H2 4.000 2.500 5.500 5.407 4.846 5.576 0.076 16 0 "[ . 1 . 2]" 1
567 1 4 U H1' 1 31 A H2 5.000 3.000 7.000 5.642 5.429 5.893 . 0 0 "[ . 1 . 2]" 1
568 1 5 G H1' 1 31 A H2 4.000 2.500 5.500 4.902 4.452 5.216 . 0 0 "[ . 1 . 2]" 1
569 1 5 G H2' 1 31 A H2 5.000 3.000 7.000 6.923 6.669 7.028 0.028 18 0 "[ . 1 . 2]" 1
570 1 5 G H8 1 31 A H2 5.000 3.000 7.000 6.298 5.989 6.760 . 0 0 "[ . 1 . 2]" 1
571 1 31 A H1' 1 31 A H2 5.000 3.000 7.000 4.625 4.600 4.656 . 0 0 "[ . 1 . 2]" 1
572 1 31 A H2 1 32 U H1' 4.000 2.500 5.500 4.038 3.849 4.280 . 0 0 "[ . 1 . 2]" 1
573 1 31 A H2 1 32 U H2' 5.000 3.000 7.000 6.308 6.093 6.542 . 0 0 "[ . 1 . 2]" 1
574 1 31 A H2 1 32 U H5 5.000 3.000 7.000 6.484 6.073 6.732 . 0 0 "[ . 1 . 2]" 1
575 1 31 A H2 1 32 U H6 5.000 3.000 7.000 5.932 5.638 6.179 . 0 0 "[ . 1 . 2]" 1
576 1 12 G H21 1 23 A H62 3.000 . 4.000 1.956 1.460 2.669 0.540 4 1 "[ +. 1 . 2]" 1
577 1 12 G H22 1 23 A H61 5.000 3.000 7.000 5.056 4.121 5.937 . 0 0 "[ . 1 . 2]" 1
578 1 1 G O2' 1 2 G Q5' 4.000 2.500 5.500 2.912 2.631 3.162 . 0 0 "[ . 1 . 2]" 1
579 1 2 G O2' 1 3 A Q5' 4.000 2.500 5.500 2.793 2.491 2.998 0.009 16 0 "[ . 1 . 2]" 1
580 1 3 A O2' 1 4 U Q5' 4.000 2.500 5.500 2.467 2.431 2.496 0.069 5 0 "[ . 1 . 2]" 1
581 1 4 U O2' 1 5 G Q5' 4.000 2.500 5.500 2.863 2.532 3.054 . 0 0 "[ . 1 . 2]" 1
582 1 5 G O2' 1 6 G Q5' 4.000 2.500 5.500 2.683 2.576 2.855 . 0 0 "[ . 1 . 2]" 1
583 1 6 G O2' 1 7 G Q5' 4.000 2.500 5.500 2.674 2.485 2.798 0.015 16 0 "[ . 1 . 2]" 1
584 1 7 G O2' 1 8 G Q5' 4.000 2.500 5.500 2.774 2.463 3.066 0.037 18 0 "[ . 1 . 2]" 1
585 1 8 G O2' 1 9 A Q5' 4.000 2.500 5.500 2.610 2.491 2.910 0.009 11 0 "[ . 1 . 2]" 1
586 1 9 A O2' 1 10 A Q5' 4.000 2.500 5.500 2.471 2.424 2.646 0.076 3 0 "[ . 1 . 2]" 1
587 1 10 A O2' 1 11 A Q5' 4.000 2.500 5.500 2.622 2.433 3.032 0.067 18 0 "[ . 1 . 2]" 1
588 1 11 A O2' 1 12 G Q5' 4.000 2.500 5.500 2.562 2.393 3.767 0.107 16 0 "[ . 1 . 2]" 1
589 1 23 A O2' 1 24 U Q5' 4.000 2.500 5.500 2.664 2.463 3.350 0.037 2 0 "[ . 1 . 2]" 1
590 1 24 U O2' 1 25 U Q5' 4.000 2.500 5.500 2.472 2.387 2.739 0.113 11 0 "[ . 1 . 2]" 1
591 1 25 U O2' 1 26 U Q5' 4.000 2.500 5.500 2.598 2.481 2.857 0.019 10 0 "[ . 1 . 2]" 1
592 1 26 U O2' 1 27 C Q5' 4.000 2.500 5.500 2.505 2.453 2.638 0.047 9 0 "[ . 1 . 2]" 1
593 1 27 C O2' 1 28 C Q5' 4.000 2.500 5.500 2.633 2.483 2.976 0.017 7 0 "[ . 1 . 2]" 1
594 1 28 C O2' 1 29 C Q5' 4.000 2.500 5.500 2.597 2.469 2.858 0.031 18 0 "[ . 1 . 2]" 1
595 1 29 C O2' 1 30 C Q5' 4.000 2.500 5.500 2.567 2.475 2.742 0.025 18 0 "[ . 1 . 2]" 1
596 1 30 C O2' 1 31 A Q5' 4.000 2.500 5.500 2.592 2.477 2.867 0.023 3 0 "[ . 1 . 2]" 1
597 1 31 A O2' 1 32 U Q5' 4.000 2.500 5.500 2.375 2.324 2.433 0.176 11 0 "[ . 1 . 2]" 1
598 1 32 U O2' 1 33 C Q5' 4.000 2.500 5.500 2.473 2.420 2.535 0.080 8 0 "[ . 1 . 2]" 1
599 1 33 C O2' 1 34 C Q5' 4.000 2.500 5.500 2.660 2.488 3.047 0.012 8 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 36
_Distance_constraint_stats_list.Viol_count 14
_Distance_constraint_stats_list.Viol_total 12.484
_Distance_constraint_stats_list.Viol_max 0.066
_Distance_constraint_stats_list.Viol_rms 0.0067
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0009
_Distance_constraint_stats_list.Viol_average_violations_only 0.0446
_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 2 G 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 A 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 U 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 G 0.624 0.066 16 0 "[ . 1 . 2]"
1 6 G 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 G 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 G 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 A 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 A 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 A 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 G 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 G 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 C 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 G 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 C 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 A 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 U 0.624 0.066 16 0 "[ . 1 . 2]"
1 25 U 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 U 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 C 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 C 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 C 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 C 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 A 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 U 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 C 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 C 0.000 0.000 . 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 2 G P 1 3 A P 5.600 4.600 6.600 5.985 5.647 6.425 . 0 0 "[ . 1 . 2]" 2
2 1 3 A P 1 4 U P 5.600 4.600 6.600 6.236 5.497 6.410 . 0 0 "[ . 1 . 2]" 2
3 1 4 U P 1 5 G P 5.600 4.600 6.600 5.845 5.772 5.952 . 0 0 "[ . 1 . 2]" 2
4 1 5 G P 1 6 G P 5.600 4.600 6.600 6.250 5.962 6.411 . 0 0 "[ . 1 . 2]" 2
5 1 6 G P 1 7 G P 5.600 4.600 6.600 5.803 5.583 5.999 . 0 0 "[ . 1 . 2]" 2
6 1 7 G P 1 8 G P 5.600 4.600 6.600 5.936 5.840 6.135 . 0 0 "[ . 1 . 2]" 2
7 1 8 G P 1 9 A P 5.600 4.600 6.600 6.227 5.521 6.431 . 0 0 "[ . 1 . 2]" 2
8 1 9 A P 1 10 A P 5.600 4.600 6.600 5.912 5.278 6.380 . 0 0 "[ . 1 . 2]" 2
9 1 10 A P 1 11 A P 5.600 4.600 6.600 6.264 5.953 6.420 . 0 0 "[ . 1 . 2]" 2
10 1 24 U P 1 25 U P 5.600 4.600 6.600 6.177 5.792 6.425 . 0 0 "[ . 1 . 2]" 2
11 1 25 U P 1 26 U P 5.600 4.600 6.600 6.224 6.007 6.421 . 0 0 "[ . 1 . 2]" 2
12 1 26 U P 1 27 C P 5.600 4.600 6.600 6.094 5.808 6.283 . 0 0 "[ . 1 . 2]" 2
13 1 27 C P 1 28 C P 5.600 4.600 6.600 5.966 5.641 6.136 . 0 0 "[ . 1 . 2]" 2
14 1 28 C P 1 29 C P 5.600 4.600 6.600 6.111 5.762 6.222 . 0 0 "[ . 1 . 2]" 2
15 1 29 C P 1 30 C P 5.600 4.600 6.600 5.600 5.342 5.873 . 0 0 "[ . 1 . 2]" 2
16 1 30 C P 1 31 A P 5.600 4.600 6.600 6.181 6.047 6.379 . 0 0 "[ . 1 . 2]" 2
17 1 31 A P 1 32 U P 5.600 4.600 6.600 6.120 5.917 6.227 . 0 0 "[ . 1 . 2]" 2
18 1 32 U P 1 33 C P 5.600 4.600 6.600 6.019 5.895 6.107 . 0 0 "[ . 1 . 2]" 2
19 1 33 C P 1 34 C P 5.600 4.600 6.600 5.982 5.691 6.153 . 0 0 "[ . 1 . 2]" 2
20 1 2 G P 1 33 C P 18.000 15.000 21.000 18.787 18.026 19.314 . 0 0 "[ . 1 . 2]" 2
21 1 3 A P 1 32 U P 18.000 15.000 21.000 18.608 17.814 19.071 . 0 0 "[ . 1 . 2]" 2
22 1 4 U P 1 31 A P 18.000 15.000 21.000 17.923 17.185 18.481 . 0 0 "[ . 1 . 2]" 2
23 1 5 G P 1 30 C P 18.000 15.000 21.000 18.290 16.960 19.043 . 0 0 "[ . 1 . 2]" 2
24 1 6 G P 1 29 C P 18.000 15.000 21.000 17.384 16.865 18.036 . 0 0 "[ . 1 . 2]" 2
25 1 7 G P 1 28 C P 18.000 15.000 21.000 19.185 18.541 19.725 . 0 0 "[ . 1 . 2]" 2
26 1 8 G P 1 27 C P 18.000 15.000 21.000 18.670 17.929 19.295 . 0 0 "[ . 1 . 2]" 2
27 1 9 A P 1 26 U P 18.000 15.000 21.000 17.960 16.986 19.515 . 0 0 "[ . 1 . 2]" 2
28 1 10 A P 1 25 U P 18.000 15.000 21.000 18.419 17.962 18.930 . 0 0 "[ . 1 . 2]" 2
29 1 11 A P 1 24 U P 18.000 15.000 21.000 18.138 17.682 19.471 . 0 0 "[ . 1 . 2]" 2
30 1 12 G P 1 23 A P 18.000 15.000 21.000 16.835 15.243 19.374 . 0 0 "[ . 1 . 2]" 2
31 1 15 G P 1 21 C P 18.000 15.000 21.000 18.647 17.148 20.798 . 0 0 "[ . 1 . 2]" 2
32 1 16 C P 1 20 G P 18.000 15.000 21.000 16.370 15.796 17.721 . 0 0 "[ . 1 . 2]" 2
33 1 2 G P 1 27 C P 10.000 8.000 12.000 11.632 10.755 11.998 . 0 0 "[ . 1 . 2]" 2
34 1 3 A P 1 26 U P 10.000 8.000 12.000 10.541 9.496 11.754 . 0 0 "[ . 1 . 2]" 2
35 1 4 U P 1 25 U P 10.000 8.000 12.000 10.426 9.538 11.732 . 0 0 "[ . 1 . 2]" 2
36 1 5 G P 1 24 U P 10.000 8.000 12.000 11.955 11.599 12.066 0.066 16 0 "[ . 1 . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 72
_Distance_constraint_stats_list.Viol_count 605
_Distance_constraint_stats_list.Viol_total 416.128
_Distance_constraint_stats_list.Viol_max 0.142
_Distance_constraint_stats_list.Viol_rms 0.0222
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0144
_Distance_constraint_stats_list.Viol_average_violations_only 0.0344
_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 2.208 0.075 6 0 "[ . 1 . 2]"
1 2 G 3.149 0.094 12 0 "[ . 1 . 2]"
1 3 A 0.206 0.036 9 0 "[ . 1 . 2]"
1 4 U 0.565 0.042 14 0 "[ . 1 . 2]"
1 5 G 2.271 0.081 11 0 "[ . 1 . 2]"
1 6 G 2.211 0.076 8 0 "[ . 1 . 2]"
1 7 G 1.865 0.082 5 0 "[ . 1 . 2]"
1 8 G 1.579 0.067 11 0 "[ . 1 . 2]"
1 9 A 0.224 0.042 11 0 "[ . 1 . 2]"
1 10 A 0.551 0.101 11 0 "[ . 1 . 2]"
1 11 A 0.673 0.106 11 0 "[ . 1 . 2]"
1 12 G 0.999 0.142 19 0 "[ . 1 . 2]"
1 15 G 2.374 0.080 15 0 "[ . 1 . 2]"
1 16 C 1.932 0.073 19 0 "[ . 1 . 2]"
1 20 G 1.932 0.073 19 0 "[ . 1 . 2]"
1 21 C 2.374 0.080 15 0 "[ . 1 . 2]"
1 23 A 0.999 0.142 19 0 "[ . 1 . 2]"
1 24 U 0.673 0.106 11 0 "[ . 1 . 2]"
1 25 U 0.551 0.101 11 0 "[ . 1 . 2]"
1 26 U 0.224 0.042 11 0 "[ . 1 . 2]"
1 27 C 1.579 0.067 11 0 "[ . 1 . 2]"
1 28 C 1.865 0.082 5 0 "[ . 1 . 2]"
1 29 C 2.211 0.076 8 0 "[ . 1 . 2]"
1 30 C 2.271 0.081 11 0 "[ . 1 . 2]"
1 31 A 0.565 0.042 14 0 "[ . 1 . 2]"
1 32 U 0.206 0.036 9 0 "[ . 1 . 2]"
1 33 C 3.149 0.094 12 0 "[ . 1 . 2]"
1 34 C 2.208 0.075 6 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 34 C N3 1.890 . 1.890 1.950 1.929 1.965 0.075 6 0 "[ . 1 . 2]" 3
2 1 1 G N1 1 34 C N3 2.900 2.700 3.100 2.938 2.892 2.975 . 0 0 "[ . 1 . 2]" 3
3 1 1 G O6 1 34 C H41 1.950 . 1.950 1.937 1.919 1.955 0.031 9 0 "[ . 1 . 2]" 3
4 1 1 G O6 1 34 C N4 2.950 2.750 3.150 2.919 2.820 2.957 . 0 0 "[ . 1 . 2]" 3
5 1 1 G H22 1 34 C O2 1.950 . 1.950 1.913 1.895 1.936 0.055 8 0 "[ . 1 . 2]" 3
6 1 1 G N2 1 34 C O2 2.950 2.750 3.150 2.855 2.760 2.929 . 0 0 "[ . 1 . 2]" 3
7 1 2 G H1 1 33 C N3 1.890 . 1.890 1.955 1.914 1.984 0.094 12 0 "[ . 1 . 2]" 3
8 1 2 G N1 1 33 C N3 2.900 2.700 3.100 2.915 2.873 2.937 . 0 0 "[ . 1 . 2]" 3
9 1 2 G O6 1 33 C H41 1.950 . 1.950 1.990 1.974 2.013 0.063 8 0 "[ . 1 . 2]" 3
10 1 2 G O6 1 33 C N4 2.950 2.750 3.150 2.936 2.913 2.968 . 0 0 "[ . 1 . 2]" 3
11 1 2 G H22 1 33 C O2 1.950 . 1.950 1.900 1.876 1.924 0.074 6 0 "[ . 1 . 2]" 3
12 1 2 G N2 1 33 C O2 2.950 2.750 3.150 2.806 2.709 2.866 0.041 16 0 "[ . 1 . 2]" 3
13 1 3 A N1 1 32 U H3 2.000 . 2.200 1.991 1.855 2.174 . 0 0 "[ . 1 . 2]" 3
14 1 3 A N1 1 32 U N3 2.900 2.600 3.200 2.985 2.830 3.171 . 0 0 "[ . 1 . 2]" 3
15 1 3 A H61 1 32 U O4 2.000 . 2.200 1.873 1.764 2.018 0.036 9 0 "[ . 1 . 2]" 3
16 1 3 A N6 1 32 U O4 2.900 2.600 3.200 2.750 2.569 2.991 0.031 12 0 "[ . 1 . 2]" 3
17 1 4 U H3 1 31 A N1 2.000 . 2.200 1.982 1.849 2.137 . 0 0 "[ . 1 . 2]" 3
18 1 4 U N3 1 31 A N1 2.900 2.600 3.200 2.916 2.809 3.026 . 0 0 "[ . 1 . 2]" 3
19 1 4 U O4 1 31 A H61 2.000 . 2.200 1.775 1.758 1.826 0.042 14 0 "[ . 1 . 2]" 3
20 1 4 U O4 1 31 A N6 2.900 2.600 3.200 2.680 2.577 2.779 0.023 14 0 "[ . 1 . 2]" 3
21 1 5 G H1 1 30 C N3 1.890 . 1.890 1.945 1.926 1.971 0.081 11 0 "[ . 1 . 2]" 3
22 1 5 G N1 1 30 C N3 2.900 2.700 3.100 2.924 2.881 2.968 . 0 0 "[ . 1 . 2]" 3
23 1 5 G O6 1 30 C H41 1.950 . 1.950 1.937 1.922 1.965 0.028 16 0 "[ . 1 . 2]" 3
24 1 5 G O6 1 30 C N4 2.950 2.750 3.150 2.907 2.857 2.963 . 0 0 "[ . 1 . 2]" 3
25 1 5 G H22 1 30 C O2 1.950 . 1.950 1.911 1.888 1.927 0.062 14 0 "[ . 1 . 2]" 3
26 1 5 G N2 1 30 C O2 2.950 2.750 3.150 2.832 2.714 2.902 0.036 15 0 "[ . 1 . 2]" 3
27 1 6 G H1 1 29 C N3 1.890 . 1.890 1.945 1.911 1.966 0.076 8 0 "[ . 1 . 2]" 3
28 1 6 G N1 1 29 C N3 2.900 2.700 3.100 2.943 2.913 2.969 . 0 0 "[ . 1 . 2]" 3
29 1 6 G O6 1 29 C H41 1.950 . 1.950 1.919 1.900 1.931 0.050 20 0 "[ . 1 . 2]" 3
30 1 6 G O6 1 29 C N4 2.950 2.750 3.150 2.875 2.796 2.931 . 0 0 "[ . 1 . 2]" 3
31 1 6 G H22 1 29 C O2 1.950 . 1.950 1.926 1.902 1.944 0.048 1 0 "[ . 1 . 2]" 3
32 1 6 G N2 1 29 C O2 2.950 2.750 3.150 2.922 2.861 2.951 . 0 0 "[ . 1 . 2]" 3
33 1 7 G H1 1 28 C N3 1.890 . 1.890 1.950 1.898 1.972 0.082 5 0 "[ . 1 . 2]" 3
34 1 7 G N1 1 28 C N3 2.900 2.700 3.100 2.931 2.897 2.961 . 0 0 "[ . 1 . 2]" 3
35 1 7 G O6 1 28 C H41 1.950 . 1.950 1.951 1.924 1.995 0.045 9 0 "[ . 1 . 2]" 3
36 1 7 G O6 1 28 C N4 2.950 2.750 3.150 2.919 2.870 2.987 . 0 0 "[ . 1 . 2]" 3
37 1 7 G H22 1 28 C O2 1.950 . 1.950 1.929 1.908 1.948 0.042 5 0 "[ . 1 . 2]" 3
38 1 7 G N2 1 28 C O2 2.950 2.750 3.150 2.867 2.759 2.930 . 0 0 "[ . 1 . 2]" 3
39 1 8 G H1 1 27 C N3 1.890 . 1.890 1.910 1.873 1.944 0.054 5 0 "[ . 1 . 2]" 3
40 1 8 G N1 1 27 C N3 2.900 2.700 3.100 2.868 2.835 2.910 . 0 0 "[ . 1 . 2]" 3
41 1 8 G O6 1 27 C H41 1.950 . 1.950 1.953 1.927 1.976 0.026 11 0 "[ . 1 . 2]" 3
42 1 8 G O6 1 27 C N4 2.950 2.750 3.150 2.934 2.839 2.969 . 0 0 "[ . 1 . 2]" 3
43 1 8 G H22 1 27 C O2 1.950 . 1.950 1.934 1.913 1.951 0.037 11 0 "[ . 1 . 2]" 3
44 1 8 G N2 1 27 C O2 2.950 2.750 3.150 2.742 2.683 2.877 0.067 11 0 "[ . 1 . 2]" 3
45 1 9 A N1 1 26 U H3 2.000 . 2.200 1.960 1.800 2.133 0.000 19 0 "[ . 1 . 2]" 3
46 1 9 A N1 1 26 U N3 2.900 2.600 3.200 2.936 2.809 3.042 . 0 0 "[ . 1 . 2]" 3
47 1 9 A H61 1 26 U O4 2.000 . 2.200 2.135 1.880 2.242 0.042 11 0 "[ . 1 . 2]" 3
48 1 9 A N6 1 26 U O4 2.900 2.600 3.200 3.082 2.817 3.211 0.011 4 0 "[ . 1 . 2]" 3
49 1 10 A N1 1 25 U H3 2.000 . 2.200 1.805 1.699 2.012 0.101 11 0 "[ . 1 . 2]" 3
50 1 10 A N1 1 25 U N3 2.900 2.600 3.200 2.786 2.680 2.959 . 0 0 "[ . 1 . 2]" 3
51 1 10 A H61 1 25 U O4 2.000 . 2.200 2.013 1.787 2.206 0.013 14 0 "[ . 1 . 2]" 3
52 1 10 A N6 1 25 U O4 2.900 2.600 3.200 2.987 2.794 3.203 0.003 11 0 "[ . 1 . 2]" 3
53 1 11 A N1 1 24 U H3 2.000 . 2.200 1.804 1.694 2.008 0.106 11 0 "[ . 1 . 2]" 3
54 1 11 A N1 1 24 U N3 2.900 2.600 3.200 2.796 2.678 2.970 . 0 0 "[ . 1 . 2]" 3
55 1 11 A H61 1 24 U O4 2.000 . 2.200 2.137 1.959 2.248 0.048 19 0 "[ . 1 . 2]" 3
56 1 11 A N6 1 24 U O4 2.900 2.600 3.200 3.101 2.934 3.234 0.034 11 0 "[ . 1 . 2]" 3
57 1 12 G H21 1 23 A N7 2.000 . 2.200 2.048 1.766 2.255 0.055 4 0 "[ . 1 . 2]" 3
58 1 12 G N2 1 23 A N7 2.900 2.600 3.200 2.937 2.546 3.187 0.054 13 0 "[ . 1 . 2]" 3
59 1 12 G N3 1 23 A H62 2.000 . 2.200 2.087 1.902 2.313 0.113 18 0 "[ . 1 . 2]" 3
60 1 12 G N3 1 23 A N6 2.900 2.600 3.200 2.793 2.458 3.151 0.142 19 0 "[ . 1 . 2]" 3
61 1 15 G H1 1 21 C N3 1.890 . 1.890 1.952 1.925 1.970 0.080 15 0 "[ . 1 . 2]" 3
62 1 15 G N1 1 21 C N3 2.900 2.700 3.100 2.932 2.882 2.966 . 0 0 "[ . 1 . 2]" 3
63 1 15 G O6 1 21 C H41 1.950 . 1.950 1.918 1.885 1.936 0.065 15 0 "[ . 1 . 2]" 3
64 1 15 G O6 1 21 C N4 2.950 2.750 3.150 2.868 2.776 2.944 . 0 0 "[ . 1 . 2]" 3
65 1 15 G H22 1 21 C O2 1.950 . 1.950 1.929 1.896 1.970 0.054 14 0 "[ . 1 . 2]" 3
66 1 15 G N2 1 21 C O2 2.950 2.750 3.150 2.909 2.848 2.966 . 0 0 "[ . 1 . 2]" 3
67 1 16 C N3 1 20 G H1 1.890 . 1.890 1.932 1.875 1.963 0.073 19 0 "[ . 1 . 2]" 3
68 1 16 C N3 1 20 G N1 2.900 2.700 3.100 2.926 2.875 2.974 . 0 0 "[ . 1 . 2]" 3
69 1 16 C H41 1 20 G O6 1.950 . 1.950 1.937 1.916 1.965 0.034 5 0 "[ . 1 . 2]" 3
70 1 16 C N4 1 20 G O6 2.950 2.750 3.150 2.910 2.853 2.961 . 0 0 "[ . 1 . 2]" 3
71 1 16 C O2 1 20 G H22 1.950 . 1.950 1.915 1.890 1.946 0.060 6 0 "[ . 1 . 2]" 3
72 1 16 C O2 1 20 G N2 2.950 2.750 3.150 2.857 2.729 2.948 0.021 15 0 "[ . 1 . 2]" 3
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