NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
375737 |
1f7f   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1f7f
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 258
_Distance_constraint_stats_list.Viol_count 422
_Distance_constraint_stats_list.Viol_total 174.197
_Distance_constraint_stats_list.Viol_max 0.258
_Distance_constraint_stats_list.Viol_rms 0.0266
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0083
_Distance_constraint_stats_list.Viol_average_violations_only 0.0459
_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 2.042 0.123 3 0 "[ . ]"
1 2 G 2.341 0.123 3 0 "[ . ]"
1 3 A 0.648 0.046 1 0 "[ . ]"
1 4 A 0.360 0.036 6 0 "[ . ]"
1 5 G 0.426 0.053 4 0 "[ . ]"
1 6 U 0.572 0.075 5 0 "[ . ]"
1 7 C 0.526 0.075 5 0 "[ . ]"
1 8 C 0.500 0.049 9 0 "[ . ]"
1 9 G 0.694 0.049 9 0 "[ . ]"
1 10 G 0.850 0.057 3 0 "[ . ]"
1 11 U 2.808 0.161 7 0 "[ . ]"
1 12 C 4.017 0.227 7 0 "[ . ]"
1 13 U 2.020 0.227 7 0 "[ . ]"
1 14 U 3.473 0.227 5 0 "[ . ]"
1 15 C 4.413 0.258 9 0 "[ . ]"
1 16 G 1.726 0.118 1 0 "[ . ]"
1 17 G 2.124 0.118 1 0 "[ . ]"
1 18 A 1.161 0.101 9 0 "[ . ]"
1 19 C 1.260 0.092 5 0 "[ . ]"
1 20 C 1.155 0.092 5 0 "[ . ]"
1 21 G 1.313 0.080 3 0 "[ . ]"
1 22 G 1.174 0.080 3 0 "[ . ]"
1 23 C 0.718 0.067 9 0 "[ . ]"
1 24 U 0.641 0.053 5 0 "[ . ]"
1 25 U 0.366 0.053 5 0 "[ . ]"
1 26 C 0.391 0.038 6 0 "[ . ]"
1 27 C 0.193 0.038 6 0 "[ . ]"
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 2.000 . 5.000 3.865 3.809 3.876 . 0 0 "[ . ]" 1
2 1 1 G H2' 1 1 G H8 2.000 . 4.000 2.522 2.340 3.896 . 0 0 "[ . ]" 1
3 1 1 G H1' 1 2 G H8 2.000 . 4.000 4.074 4.054 4.123 0.123 3 0 "[ . ]" 1
4 1 1 G H2' 1 2 G H8 1.800 . 3.200 2.281 2.241 2.295 . 0 0 "[ . ]" 1
5 1 1 G H2' 1 2 G H1' 2.500 2.500 5.000 4.868 3.375 5.062 0.062 2 0 "[ . ]" 1
6 1 1 G H3' 1 2 G H8 2.000 . 4.000 3.887 2.345 4.101 0.101 4 0 "[ . ]" 1
7 1 1 G H4' 1 2 G H8 2.500 2.500 5.000 4.960 4.913 5.044 0.044 3 0 "[ . ]" 1
8 1 1 G H8 1 2 G H8 2.500 2.500 4.500 4.371 3.089 4.542 0.042 1 0 "[ . ]" 1
9 1 2 G H1' 1 2 G H8 2.000 . 4.000 3.756 3.629 3.780 . 0 0 "[ . ]" 1
10 1 2 G H2' 1 2 G H8 2.000 . 5.000 3.993 3.942 4.257 . 0 0 "[ . ]" 1
11 1 2 G H1' 1 3 A H8 2.500 2.500 5.000 5.014 4.976 5.046 0.046 1 0 "[ . ]" 1
12 1 2 G H2' 1 3 A H8 1.800 . 3.200 2.330 2.319 2.340 . 0 0 "[ . ]" 1
13 1 2 G H2' 1 3 A H1' 2.500 2.500 5.000 4.184 3.914 4.637 . 0 0 "[ . ]" 1
14 1 2 G H3' 1 3 A H8 2.500 2.500 5.000 3.069 2.870 3.239 . 0 0 "[ . ]" 1
15 1 2 G H8 1 3 A H8 2.500 2.500 5.000 5.015 5.007 5.025 0.025 4 0 "[ . ]" 1
16 1 3 A H1' 1 3 A H8 2.000 . 4.000 3.825 3.784 3.882 . 0 0 "[ . ]" 1
17 1 3 A H2' 1 3 A H8 2.000 . 5.000 3.779 3.515 3.926 . 0 0 "[ . ]" 1
18 1 3 A H1' 1 3 A H2 3.000 3.000 7.000 4.614 4.515 4.679 . 0 0 "[ . ]" 1
19 1 3 A H1' 1 4 A H8 2.500 2.500 5.000 5.014 4.953 5.036 0.036 6 0 "[ . ]" 1
20 1 3 A H2' 1 4 A H8 1.800 . 3.200 2.338 2.327 2.370 . 0 0 "[ . ]" 1
21 1 3 A H2' 1 4 A H1' 3.000 3.000 7.000 4.200 3.873 4.581 . 0 0 "[ . ]" 1
22 1 3 A H3' 1 4 A H8 2.500 2.500 5.000 3.490 3.271 3.844 . 0 0 "[ . ]" 1
23 1 3 A H4' 1 4 A H8 3.000 3.000 7.000 5.854 5.750 6.043 . 0 0 "[ . ]" 1
24 1 3 A H8 1 4 A H8 2.500 2.500 5.000 4.926 4.643 5.010 0.010 9 0 "[ . ]" 1
25 1 3 A H2 1 4 A H1' 2.000 . 4.000 3.962 3.829 4.012 0.012 4 0 "[ . ]" 1
26 1 3 A H2 1 4 A H2 2.000 . 5.000 4.748 4.141 5.009 0.009 7 0 "[ . ]" 1
27 1 3 A H2 1 26 C H1' 2.000 . 4.000 3.979 3.809 4.024 0.024 6 0 "[ . ]" 1
28 1 4 A H1' 1 4 A H8 2.000 . 4.000 3.841 3.777 3.891 . 0 0 "[ . ]" 1
29 1 4 A H2' 1 4 A H8 2.000 . 5.000 3.655 3.385 3.884 . 0 0 "[ . ]" 1
30 1 4 A H1' 1 4 A H2 3.000 3.000 7.000 4.579 4.486 4.685 . 0 0 "[ . ]" 1
31 1 4 A H1' 1 5 G H8 2.500 2.500 5.000 5.006 4.996 5.019 0.019 8 0 "[ . ]" 1
32 1 4 A H2' 1 5 G H8 1.800 . 3.200 2.457 2.344 2.823 . 0 0 "[ . ]" 1
33 1 4 A H2' 1 5 G H1' 2.500 2.500 5.000 4.589 3.935 4.961 . 0 0 "[ . ]" 1
34 1 4 A H3' 1 5 G H8 2.500 2.500 5.000 3.803 3.409 4.254 . 0 0 "[ . ]" 1
35 1 4 A H4' 1 5 G H8 3.000 3.000 7.000 6.031 5.747 6.381 . 0 0 "[ . ]" 1
36 1 4 A H8 1 5 G H8 3.000 3.000 7.000 4.864 4.110 5.867 . 0 0 "[ . ]" 1
37 1 4 A H2 1 5 G H1' 2.500 2.500 5.000 4.870 4.499 5.015 0.015 5 0 "[ . ]" 1
38 1 4 A H2 1 25 U H1' 2.000 . 4.000 3.803 3.197 4.002 0.002 3 0 "[ . ]" 1
39 1 5 G H1' 1 5 G H8 2.000 . 4.000 3.843 3.824 3.869 . 0 0 "[ . ]" 1
40 1 5 G H2' 1 5 G H8 1.800 . 3.200 3.177 3.097 3.238 0.038 5 0 "[ . ]" 1
41 1 5 G H3' 1 5 G H8 2.500 2.500 5.000 4.658 3.639 4.902 . 0 0 "[ . ]" 1
42 1 5 G H1' 1 6 U H3' 2.000 . 5.000 4.382 3.624 5.009 0.009 8 0 "[ . ]" 1
43 1 5 G H2' 1 6 U H5 3.000 3.000 7.000 6.906 6.607 7.027 0.027 7 0 "[ . ]" 1
44 1 5 G H1' 1 7 C H6 3.000 3.000 7.000 5.619 4.743 5.970 . 0 0 "[ . ]" 1
45 1 5 G H1' 1 7 C H5 2.500 2.500 5.000 3.857 3.263 4.330 . 0 0 "[ . ]" 1
46 1 5 G H2' 1 7 C H6 2.500 2.500 5.000 4.962 4.478 5.053 0.053 4 0 "[ . ]" 1
47 1 5 G H2' 1 7 C H5 2.000 . 4.000 3.013 2.805 3.516 . 0 0 "[ . ]" 1
48 1 5 G H8 1 7 C H5 3.000 3.000 7.000 5.564 5.003 5.843 . 0 0 "[ . ]" 1
49 1 6 U H1' 1 6 U H6 2.000 . 4.000 3.695 3.610 3.731 . 0 0 "[ . ]" 1
50 1 6 U H2' 1 6 U H6 1.800 . 3.200 2.609 2.338 3.211 0.011 1 0 "[ . ]" 1
51 1 6 U H3' 1 6 U H6 2.000 . 4.000 4.009 3.865 4.037 0.037 3 0 "[ . ]" 1
52 1 6 U H1' 1 7 C H5 2.500 2.500 5.000 5.008 4.825 5.075 0.075 5 0 "[ . ]" 1
53 1 6 U H1' 1 7 C H6 3.000 3.000 7.000 4.377 3.974 5.370 . 0 0 "[ . ]" 1
54 1 6 U H2' 1 7 C H5 2.500 2.500 5.000 3.339 2.564 3.848 . 0 0 "[ . ]" 1
55 1 6 U H2' 1 7 C H6 2.500 2.500 5.000 3.960 3.374 4.697 . 0 0 "[ . ]" 1
56 1 6 U H3' 1 7 C H6 3.000 3.000 7.000 3.683 3.145 4.366 . 0 0 "[ . ]" 1
57 1 7 C H1' 1 7 C H6 2.000 . 4.000 3.518 3.424 3.596 . 0 0 "[ . ]" 1
58 1 7 C H2' 1 7 C H6 2.500 2.500 5.000 3.928 3.734 4.112 . 0 0 "[ . ]" 1
59 1 7 C H1' 1 7 C H5 3.000 3.000 7.000 5.287 5.209 5.349 . 0 0 "[ . ]" 1
60 1 7 C H1' 1 8 C H6 2.500 2.500 5.000 4.950 4.827 5.015 0.015 4 0 "[ . ]" 1
61 1 7 C H2' 1 8 C H6 1.800 . 3.200 2.365 2.332 2.451 . 0 0 "[ . ]" 1
62 1 7 C H3' 1 8 C H6 2.500 2.500 5.000 3.755 3.429 4.146 . 0 0 "[ . ]" 1
63 1 7 C H6 1 8 C H6 3.000 3.000 7.000 6.102 5.936 6.254 . 0 0 "[ . ]" 1
64 1 7 C H6 1 8 C H5 2.500 2.500 5.000 4.989 4.852 5.012 0.012 4 0 "[ . ]" 1
65 1 7 C H5 1 8 C H5 3.000 3.000 7.000 5.435 5.050 5.623 . 0 0 "[ . ]" 1
66 1 8 C H1' 1 8 C H6 2.000 . 4.000 3.612 3.565 3.659 . 0 0 "[ . ]" 1
67 1 8 C H2' 1 8 C H6 2.500 2.500 5.000 3.739 3.552 3.886 . 0 0 "[ . ]" 1
68 1 8 C H1' 1 8 C H5 3.000 3.000 7.000 5.361 5.325 5.396 . 0 0 "[ . ]" 1
69 1 8 C H1' 1 9 G H8 2.500 2.500 5.000 5.027 4.949 5.049 0.049 9 0 "[ . ]" 1
70 1 8 C H1' 1 9 G H1' 3.000 3.000 7.000 5.519 4.877 6.376 . 0 0 "[ . ]" 1
71 1 8 C H2' 1 9 G H8 1.800 . 3.200 2.328 2.312 2.352 . 0 0 "[ . ]" 1
72 1 8 C H2' 1 9 G H1' 2.500 2.500 5.000 4.014 3.380 4.588 . 0 0 "[ . ]" 1
73 1 8 C H3' 1 9 G H8 2.500 2.500 5.000 3.231 2.944 3.458 . 0 0 "[ . ]" 1
74 1 8 C H6 1 9 G H8 2.500 2.500 5.000 4.989 4.787 5.026 0.026 8 0 "[ . ]" 1
75 1 9 G H1' 1 9 G H8 2.500 2.500 5.000 3.829 3.753 3.893 . 0 0 "[ . ]" 1
76 1 9 G H2' 1 9 G H8 2.500 2.500 5.000 3.722 3.419 3.980 . 0 0 "[ . ]" 1
77 1 9 G H1' 1 10 G H8 2.500 2.500 5.000 5.015 4.987 5.048 0.048 8 0 "[ . ]" 1
78 1 9 G H2' 1 10 G H8 1.800 . 3.200 2.336 2.317 2.352 . 0 0 "[ . ]" 1
79 1 9 G H2' 1 10 G H1' 2.500 2.500 5.000 4.180 3.645 4.627 . 0 0 "[ . ]" 1
80 1 9 G H3' 1 10 G H8 2.000 . 4.000 3.435 2.662 3.896 . 0 0 "[ . ]" 1
81 1 9 G H8 1 10 G H8 2.500 2.500 5.000 4.941 4.605 5.027 0.027 3 0 "[ . ]" 1
82 1 10 G H1' 1 11 U H6 2.500 2.500 5.000 5.033 5.003 5.052 0.052 9 0 "[ . ]" 1
83 1 10 G H1' 1 11 U H5 3.000 3.000 6.000 5.189 4.876 5.507 . 0 0 "[ . ]" 1
84 1 10 G H2' 1 11 U H6 1.800 . 3.200 2.340 2.300 2.472 . 0 0 "[ . ]" 1
85 1 10 G H2' 1 11 U H5 2.000 . 4.000 3.098 2.708 3.651 . 0 0 "[ . ]" 1
86 1 10 G H2' 1 11 U H1' 2.500 2.500 5.000 4.700 4.292 5.029 0.029 7 0 "[ . ]" 1
87 1 10 G H3' 1 11 U H6 2.500 2.500 5.000 3.534 3.295 4.010 . 0 0 "[ . ]" 1
88 1 10 G H8 1 11 U H6 2.500 2.500 5.000 5.015 4.948 5.057 0.057 3 0 "[ . ]" 1
89 1 10 G H8 1 11 U H5 2.000 . 4.000 3.663 3.412 4.023 0.023 7 0 "[ . ]" 1
90 1 11 U H1' 1 11 U H6 2.000 . 4.000 3.655 3.573 3.739 . 0 0 "[ . ]" 1
91 1 11 U H2' 1 11 U H6 2.500 2.500 5.000 3.469 2.711 3.880 . 0 0 "[ . ]" 1
92 1 11 U H1' 1 11 U H5 3.000 3.000 7.000 5.401 5.333 5.464 . 0 0 "[ . ]" 1
93 1 11 U H1' 1 12 C H6 2.000 . 4.000 4.126 4.090 4.161 0.161 7 0 "[ . ]" 1
94 1 11 U H2' 1 12 C H1' 2.500 2.500 5.000 5.021 4.936 5.094 0.094 7 0 "[ . ]" 1
95 1 11 U H2' 1 12 C H6 1.800 . 3.200 2.183 2.137 2.213 . 0 0 "[ . ]" 1
96 1 11 U H2' 1 12 C H5 2.000 . 4.000 3.463 2.327 3.831 . 0 0 "[ . ]" 1
97 1 11 U H3' 1 12 C H6 2.000 . 4.000 4.077 4.006 4.124 0.124 4 0 "[ . ]" 1
98 1 11 U H6 1 12 C H6 3.000 3.000 7.000 4.815 4.695 4.919 . 0 0 "[ . ]" 1
99 1 11 U H6 1 12 C H5 2.500 2.500 5.000 4.200 3.662 4.501 . 0 0 "[ . ]" 1
100 1 11 U H5 1 12 C H5 2.000 . 4.000 3.882 3.637 4.076 0.076 6 0 "[ . ]" 1
101 1 12 C H1' 1 12 C H6 2.000 . 4.000 3.441 3.408 3.542 . 0 0 "[ . ]" 1
102 1 12 C H2' 1 12 C H6 2.500 2.500 5.000 4.095 3.857 4.188 . 0 0 "[ . ]" 1
103 1 12 C H1' 1 13 U H6 2.000 . 4.000 4.185 4.161 4.227 0.227 7 0 "[ . ]" 1
104 1 12 C H2' 1 13 U H1' 3.000 3.000 7.000 3.887 3.617 4.139 . 0 0 "[ . ]" 1
105 1 12 C H2' 1 13 U H6 1.800 . 3.200 2.268 2.261 2.279 . 0 0 "[ . ]" 1
106 1 12 C H3' 1 13 U H6 2.000 . 4.000 2.278 2.251 2.310 . 0 0 "[ . ]" 1
107 1 12 C H6 1 13 U H6 3.000 3.000 7.000 3.470 3.216 3.606 . 0 0 "[ . ]" 1
108 1 12 C H6 1 13 U H5 2.500 2.500 5.000 3.003 2.651 3.266 . 0 0 "[ . ]" 1
109 1 12 C H5 1 13 U H5 2.500 2.500 5.000 2.984 2.794 3.132 . 0 0 "[ . ]" 1
110 1 13 U H1' 1 13 U H6 2.000 . 4.000 3.361 3.318 3.388 . 0 0 "[ . ]" 1
111 1 13 U H2' 1 13 U H6 2.500 2.500 5.000 4.204 4.176 4.244 . 0 0 "[ . ]" 1
112 1 13 U H1' 1 14 U H5 3.000 3.000 7.000 5.746 3.487 6.330 . 0 0 "[ . ]" 1
113 1 13 U H3' 1 14 U H5 3.000 3.000 7.000 4.815 4.562 5.022 . 0 0 "[ . ]" 1
114 1 13 U H4' 1 14 U H5 2.000 . 4.000 2.918 2.320 3.269 . 0 0 "[ . ]" 1
115 1 13 U H2' 1 14 U H6 3.000 3.000 7.000 4.661 3.704 4.882 . 0 0 "[ . ]" 1
116 1 13 U H1' 1 15 C H5 2.500 2.500 5.000 4.101 3.755 5.030 0.030 9 0 "[ . ]" 1
117 1 13 U H2' 1 15 C H5 2.000 . 4.000 3.667 2.329 4.053 0.053 5 0 "[ . ]" 1
118 1 13 U H2' 1 15 C H6 3.000 3.000 7.000 3.734 3.417 3.904 . 0 0 "[ . ]" 1
119 1 13 U H3' 1 15 C H5 3.000 3.000 7.000 4.471 3.878 4.695 . 0 0 "[ . ]" 1
120 1 13 U H6 1 15 C H5 3.000 3.000 7.000 6.379 6.253 6.517 . 0 0 "[ . ]" 1
121 1 14 U H1' 1 14 U H6 2.000 . 4.000 3.742 3.737 3.745 . 0 0 "[ . ]" 1
122 1 14 U H2' 1 14 U H6 1.800 . 3.200 2.317 2.304 2.321 . 0 0 "[ . ]" 1
123 1 14 U H2' 1 15 C H6 2.500 2.500 5.000 3.474 3.121 3.609 . 0 0 "[ . ]" 1
124 1 14 U H2' 1 15 C H5 2.500 2.500 5.000 3.262 2.727 5.044 0.044 8 0 "[ . ]" 1
125 1 14 U H3' 1 15 C H5 2.000 . 4.000 3.740 3.623 4.082 0.082 9 0 "[ . ]" 1
126 1 14 U H3' 1 15 C H6 2.000 . 4.000 2.496 2.176 2.632 . 0 0 "[ . ]" 1
127 1 14 U H4' 1 15 C H5 2.500 2.500 5.000 4.988 4.599 5.085 0.085 6 0 "[ . ]" 1
128 1 14 U H4' 1 15 C H6 2.000 . 4.000 4.206 4.160 4.227 0.227 5 0 "[ . ]" 1
129 1 14 U H5' 1 15 C H5 2.000 . 4.000 3.377 2.228 3.703 . 0 0 "[ . ]" 1
130 1 14 U H5'' 1 15 C H5 2.000 . 4.000 2.348 2.254 2.662 . 0 0 "[ . ]" 1
131 1 14 U H6 1 15 C H6 2.000 . 4.000 4.108 4.052 4.132 0.132 8 0 "[ . ]" 1
132 1 15 C H2' 1 15 C H5 2.500 2.500 5.000 4.712 4.549 5.258 0.258 9 0 "[ . ]" 1
133 1 15 C H1' 1 15 C H6 2.500 2.500 5.000 3.372 3.283 3.427 . 0 0 "[ . ]" 1
134 1 15 C H2' 1 15 C H6 2.000 . 4.000 2.635 2.271 3.883 . 0 0 "[ . ]" 1
135 1 15 C H3' 1 16 G H1' 3.000 3.000 7.000 6.098 5.325 6.858 . 0 0 "[ . ]" 1
136 1 15 C H4' 1 16 G H1' 3.000 3.000 7.000 4.459 2.989 5.185 0.011 8 0 "[ . ]" 1
137 1 15 C H4' 1 16 G H3' 3.000 3.000 7.000 6.685 5.513 7.052 0.052 4 0 "[ . ]" 1
138 1 16 G H1' 1 16 G H8 1.800 . 3.200 2.920 2.778 2.981 . 0 0 "[ . ]" 1
139 1 16 G H2' 1 16 G H8 2.500 2.500 5.000 2.742 2.575 3.074 . 0 0 "[ . ]" 1
140 1 16 G H1' 1 17 G H1' 2.500 2.500 5.000 5.013 4.829 5.090 0.090 4 0 "[ . ]" 1
141 1 16 G H2' 1 17 G H8 2.500 2.500 5.000 3.246 2.615 3.494 . 0 0 "[ . ]" 1
142 1 16 G H3' 1 17 G H1' 2.500 2.500 5.000 4.617 4.321 5.099 0.099 5 0 "[ . ]" 1
143 1 16 G H3' 1 17 G H8 2.500 2.500 5.000 2.461 2.397 2.516 0.103 2 0 "[ . ]" 1
144 1 16 G H8 1 17 G H8 2.500 2.500 5.000 5.081 5.048 5.118 0.118 1 0 "[ . ]" 1
145 1 17 G H1' 1 17 G H8 2.000 . 4.000 3.846 3.790 3.874 . 0 0 "[ . ]" 1
146 1 17 G H2' 1 17 G H8 2.500 2.500 5.000 3.602 3.417 3.858 . 0 0 "[ . ]" 1
147 1 17 G H1' 1 18 A H8 2.500 2.500 5.000 4.770 4.631 4.952 . 0 0 "[ . ]" 1
148 1 17 G H2' 1 18 A H1' 2.500 2.500 5.000 3.836 3.221 4.315 . 0 0 "[ . ]" 1
149 1 17 G H2' 1 18 A H8 1.800 . 3.200 2.346 2.324 2.437 . 0 0 "[ . ]" 1
150 1 17 G H8 1 18 A H8 2.000 . 4.000 4.055 4.010 4.101 0.101 9 0 "[ . ]" 1
151 1 18 A H1' 1 18 A H8 2.500 2.500 5.000 3.757 3.619 3.876 . 0 0 "[ . ]" 1
152 1 18 A H2' 1 18 A H8 2.500 2.500 5.000 3.950 3.543 4.247 . 0 0 "[ . ]" 1
153 1 18 A H1' 1 18 A H2 3.000 3.000 7.000 4.723 4.518 4.936 . 0 0 "[ . ]" 1
154 1 18 A H1' 1 19 C H1' 3.000 3.000 7.000 6.188 5.074 7.009 0.009 5 0 "[ . ]" 1
155 1 18 A H1' 1 19 C H5 3.000 3.000 7.000 5.654 5.422 5.943 . 0 0 "[ . ]" 1
156 1 18 A H1' 1 19 C H6 2.500 2.500 5.000 5.002 4.938 5.070 0.070 6 0 "[ . ]" 1
157 1 18 A H2' 1 19 C H1' 2.500 2.500 5.000 4.451 3.862 4.873 . 0 0 "[ . ]" 1
158 1 18 A H2' 1 19 C H5 2.000 . 4.000 3.669 3.569 3.802 . 0 0 "[ . ]" 1
159 1 18 A H2' 1 19 C H6 2.000 . 4.000 2.323 2.298 2.345 . 0 0 "[ . ]" 1
160 1 18 A H3' 1 19 C H6 2.500 2.500 5.000 3.436 3.141 3.836 . 0 0 "[ . ]" 1
161 1 18 A H8 1 19 C H5 2.500 2.500 5.000 4.006 3.801 4.268 . 0 0 "[ . ]" 1
162 1 18 A H8 1 19 C H6 2.500 2.500 5.000 5.026 4.958 5.074 0.074 9 0 "[ . ]" 1
163 1 18 A H2 1 19 C H1' 2.000 . 4.000 3.913 3.575 4.033 0.033 5 0 "[ . ]" 1
164 1 12 C H1' 1 18 A H2 2.500 2.500 5.000 4.661 4.077 5.030 0.030 4 0 "[ . ]" 1
165 1 19 C H1' 1 19 C H6 2.000 . 4.000 3.673 3.639 3.705 . 0 0 "[ . ]" 1
166 1 19 C H2' 1 19 C H6 2.500 2.500 5.000 3.420 3.203 3.587 . 0 0 "[ . ]" 1
167 1 19 C H1' 1 19 C H5 3.000 3.000 7.000 5.406 5.379 5.432 . 0 0 "[ . ]" 1
168 1 19 C H1' 1 20 C H1' 3.000 3.000 7.000 6.032 4.931 6.851 . 0 0 "[ . ]" 1
169 1 19 C H1' 1 20 C H5 3.000 3.000 7.000 5.489 5.077 6.064 . 0 0 "[ . ]" 1
170 1 19 C H1' 1 20 C H6 2.500 2.500 5.000 5.043 4.992 5.092 0.092 5 0 "[ . ]" 1
171 1 19 C H2' 1 20 C H1' 2.500 2.500 5.000 4.463 3.896 4.964 . 0 0 "[ . ]" 1
172 1 19 C H2' 1 20 C H5 2.500 2.500 5.000 3.126 2.712 3.473 . 0 0 "[ . ]" 1
173 1 19 C H2' 1 20 C H6 2.000 . 4.000 2.316 2.301 2.332 . 0 0 "[ . ]" 1
174 1 19 C H3' 1 20 C H6 3.000 3.000 7.000 3.540 3.112 3.899 . 0 0 "[ . ]" 1
175 1 19 C H5 1 20 C H5 2.500 2.500 5.000 4.200 3.818 4.933 . 0 0 "[ . ]" 1
176 1 19 C H5 1 20 C H6 3.000 3.000 7.000 6.065 5.770 6.243 . 0 0 "[ . ]" 1
177 1 19 C H6 1 20 C H5 2.500 2.500 5.000 4.058 3.541 4.783 . 0 0 "[ . ]" 1
178 1 19 C H6 1 20 C H6 2.500 2.500 5.000 5.033 5.010 5.078 0.078 3 0 "[ . ]" 1
179 1 20 C H1' 1 20 C H6 2.000 . 4.000 3.629 3.565 3.721 . 0 0 "[ . ]" 1
180 1 20 C H2' 1 20 C H6 2.500 2.500 5.000 3.629 3.170 3.905 . 0 0 "[ . ]" 1
181 1 20 C H1' 1 20 C H5 3.000 3.000 7.000 5.373 5.326 5.441 . 0 0 "[ . ]" 1
182 1 20 C H1' 1 21 G H8 2.500 2.500 5.000 5.025 4.954 5.068 0.068 1 0 "[ . ]" 1
183 1 20 C H2' 1 21 G H1' 2.500 2.500 5.000 4.140 3.733 4.661 . 0 0 "[ . ]" 1
184 1 20 C H2' 1 21 G H8 1.800 . 3.200 2.323 2.308 2.352 . 0 0 "[ . ]" 1
185 1 20 C H3' 1 21 G H8 2.500 2.500 5.000 3.369 3.028 4.043 . 0 0 "[ . ]" 1
186 1 20 C H5 1 21 G H8 3.000 3.000 7.000 5.823 5.525 6.051 . 0 0 "[ . ]" 1
187 1 20 C H6 1 21 G H8 2.500 2.500 5.000 4.985 4.692 5.037 0.037 3 0 "[ . ]" 1
188 1 21 G H1' 1 21 G H8 2.000 . 4.000 3.814 3.766 3.878 . 0 0 "[ . ]" 1
189 1 21 G H2' 1 21 G H8 2.500 2.500 5.000 3.803 3.515 4.011 . 0 0 "[ . ]" 1
190 1 21 G H1' 1 22 G H8 2.500 2.500 5.000 5.041 5.011 5.057 0.057 7 0 "[ . ]" 1
191 1 21 G H2' 1 22 G H1' 3.000 3.000 7.000 4.151 3.888 4.816 . 0 0 "[ . ]" 1
192 1 21 G H2' 1 22 G H8 1.800 . 3.200 2.319 2.304 2.337 . 0 0 "[ . ]" 1
193 1 21 G H3' 1 22 G H8 2.000 . 4.000 2.694 2.499 2.989 . 0 0 "[ . ]" 1
194 1 21 G H4' 1 22 G H8 2.500 2.500 5.000 5.052 5.027 5.080 0.080 3 0 "[ . ]" 1
195 1 21 G H8 1 22 G H8 2.500 2.500 5.000 4.862 4.517 5.012 0.012 7 0 "[ . ]" 1
196 1 22 G H1' 1 22 G H8 2.000 . 4.000 3.750 3.721 3.794 . 0 0 "[ . ]" 1
197 1 22 G H2' 1 22 G H8 2.500 2.500 5.000 4.055 3.930 4.132 . 0 0 "[ . ]" 1
198 1 22 G H1' 1 23 C H1' 3.000 3.000 7.000 6.049 5.707 6.534 . 0 0 "[ . ]" 1
199 1 22 G H1' 1 23 C H5 3.000 3.000 7.000 5.403 4.916 5.714 . 0 0 "[ . ]" 1
200 1 22 G H1' 1 23 C H6 2.500 2.500 5.000 4.987 4.928 5.026 0.026 7 0 "[ . ]" 1
201 1 22 G H2' 1 23 C H1' 2.500 2.500 5.000 3.824 3.547 4.176 . 0 0 "[ . ]" 1
202 1 22 G H2' 1 23 C H5 2.000 . 4.000 3.605 3.414 3.860 . 0 0 "[ . ]" 1
203 1 22 G H2' 1 23 C H6 2.000 . 4.000 2.341 2.331 2.364 . 0 0 "[ . ]" 1
204 1 22 G H3' 1 23 C H6 2.000 . 4.000 2.390 2.329 2.544 . 0 0 "[ . ]" 1
205 1 22 G H4' 1 23 C H6 2.500 2.500 5.000 5.028 5.006 5.067 0.067 9 0 "[ . ]" 1
206 1 22 G H8 1 23 C H5 2.500 2.500 5.000 3.399 2.841 3.839 . 0 0 "[ . ]" 1
207 1 22 G H8 1 23 C H6 2.500 2.500 5.000 4.802 4.564 5.019 0.019 7 0 "[ . ]" 1
208 1 23 C H1' 1 23 C H6 2.000 . 4.000 3.591 3.568 3.620 . 0 0 "[ . ]" 1
209 1 23 C H2' 1 23 C H6 2.500 2.500 5.000 3.836 3.755 3.886 . 0 0 "[ . ]" 1
210 1 23 C H1' 1 23 C H5 3.000 3.000 7.000 5.344 5.327 5.366 . 0 0 "[ . ]" 1
211 1 23 C H1' 1 24 U H5 3.000 3.000 7.000 5.789 5.113 6.316 . 0 0 "[ . ]" 1
212 1 23 C H1' 1 24 U H6 2.500 2.500 5.000 5.040 5.026 5.048 0.048 5 0 "[ . ]" 1
213 1 23 C H2' 1 24 U H1' 3.000 3.000 7.000 3.800 3.403 4.771 . 0 0 "[ . ]" 1
214 1 23 C H2' 1 24 U H5 3.000 3.000 7.000 3.714 3.246 4.073 . 0 0 "[ . ]" 1
215 1 23 C H2' 1 24 U H6 1.800 . 3.200 2.323 2.319 2.332 . 0 0 "[ . ]" 1
216 1 23 C H3' 1 24 U H6 2.500 2.500 5.000 3.007 2.808 3.260 . 0 0 "[ . ]" 1
217 1 23 C H4' 1 24 U H6 3.000 3.000 7.000 5.492 5.384 5.650 . 0 0 "[ . ]" 1
218 1 23 C H5 1 24 U H5 2.500 2.500 5.000 4.181 3.667 4.696 . 0 0 "[ . ]" 1
219 1 23 C H5 1 24 U H6 3.000 3.000 7.000 5.782 5.626 5.881 . 0 0 "[ . ]" 1
220 1 23 C H6 1 24 U H5 3.000 3.000 7.000 4.343 3.804 4.840 . 0 0 "[ . ]" 1
221 1 23 C H6 1 24 U H6 2.500 2.500 5.000 4.975 4.833 5.013 0.013 7 0 "[ . ]" 1
222 1 24 U H1' 1 24 U H6 2.500 2.500 5.000 3.552 3.538 3.572 . 0 0 "[ . ]" 1
223 1 24 U H2' 1 24 U H6 2.500 2.500 5.000 3.844 3.770 3.886 . 0 0 "[ . ]" 1
224 1 24 U H1' 1 24 U H5 3.000 3.000 7.000 5.330 5.318 5.343 . 0 0 "[ . ]" 1
225 1 24 U H1' 1 25 U H5 3.000 3.000 7.000 5.891 5.407 6.338 . 0 0 "[ . ]" 1
226 1 24 U H1' 1 25 U H6 2.500 2.500 5.000 5.024 5.008 5.053 0.053 5 0 "[ . ]" 1
227 1 24 U H2' 1 25 U H1' 3.000 3.000 7.000 4.261 3.825 4.596 . 0 0 "[ . ]" 1
228 1 24 U H2' 1 25 U H5 3.000 3.000 7.000 3.264 2.993 3.597 0.007 5 0 "[ . ]" 1
229 1 24 U H2' 1 25 U H6 1.800 . 3.200 2.334 2.313 2.357 . 0 0 "[ . ]" 1
230 1 24 U H3' 1 25 U H6 2.500 2.500 5.000 3.653 3.494 3.888 . 0 0 "[ . ]" 1
231 1 24 U H5 1 25 U H5 3.000 3.000 7.000 5.621 4.823 6.184 . 0 0 "[ . ]" 1
232 1 24 U H5 1 25 U H6 3.000 3.000 7.000 6.907 6.672 7.009 0.009 1 0 "[ . ]" 1
233 1 24 U H6 1 25 U H5 3.000 3.000 7.000 5.299 4.591 5.779 . 0 0 "[ . ]" 1
234 1 24 U H6 1 25 U H6 3.000 3.000 7.000 5.854 5.684 5.966 . 0 0 "[ . ]" 1
235 1 25 U H1' 1 25 U H6 2.500 2.500 5.000 3.595 3.560 3.626 . 0 0 "[ . ]" 1
236 1 25 U H2' 1 25 U H6 2.500 2.500 5.000 3.790 3.668 3.905 . 0 0 "[ . ]" 1
237 1 25 U H1' 1 25 U H5 3.000 3.000 7.000 5.364 5.339 5.390 . 0 0 "[ . ]" 1
238 1 25 U H1' 1 26 C H6 2.500 2.500 5.000 5.007 4.957 5.028 0.028 2 0 "[ . ]" 1
239 1 25 U H2' 1 26 C H1' 3.000 3.000 7.000 4.290 3.676 4.622 . 0 0 "[ . ]" 1
240 1 25 U H2' 1 26 C H5 3.000 3.000 7.000 3.791 3.553 4.006 . 0 0 "[ . ]" 1
241 1 25 U H2' 1 26 C H6 2.000 . 4.000 2.338 2.326 2.348 . 0 0 "[ . ]" 1
242 1 25 U H3' 1 26 C H6 2.000 . 4.000 3.083 2.736 3.385 . 0 0 "[ . ]" 1
243 1 25 U H5 1 26 C H5 2.500 2.500 5.000 3.792 3.316 4.604 . 0 0 "[ . ]" 1
244 1 25 U H5 1 26 C H6 3.000 3.000 7.000 5.543 5.229 5.785 . 0 0 "[ . ]" 1
245 1 25 U H6 1 26 C H5 2.500 2.500 5.000 4.065 3.540 4.838 . 0 0 "[ . ]" 1
246 1 25 U H6 1 26 C H6 2.500 2.500 5.000 4.822 4.411 5.009 0.009 9 0 "[ . ]" 1
247 1 26 C H1' 1 26 C H6 2.500 2.500 5.000 3.603 3.561 3.661 . 0 0 "[ . ]" 1
248 1 26 C H2' 1 26 C H6 2.500 2.500 5.000 3.694 3.467 3.822 . 0 0 "[ . ]" 1
249 1 26 C H1' 1 27 C H6 2.500 2.500 5.000 5.005 4.877 5.038 0.038 6 0 "[ . ]" 1
250 1 26 C H2' 1 27 C H1' 3.000 3.000 7.000 4.738 3.965 5.537 . 0 0 "[ . ]" 1
251 1 26 C H2' 1 27 C H5 2.500 2.500 5.000 3.984 3.460 4.782 . 0 0 "[ . ]" 1
252 1 26 C H2' 1 27 C H6 2.000 . 4.000 2.468 2.326 2.778 . 0 0 "[ . ]" 1
253 1 26 C H3' 1 27 C H6 2.500 2.500 5.000 3.591 2.979 4.091 . 0 0 "[ . ]" 1
254 1 26 C H5 1 27 C H5 2.500 2.500 5.000 3.537 3.132 4.037 . 0 0 "[ . ]" 1
255 1 26 C H6 1 27 C H5 2.500 2.500 5.000 4.158 3.390 4.593 . 0 0 "[ . ]" 1
256 1 26 C H6 1 27 C H6 2.500 2.500 5.000 4.736 4.437 5.023 0.023 7 0 "[ . ]" 1
257 1 27 C H1' 1 27 C H6 . 3.000 5.000 3.458 3.427 3.512 . 0 0 "[ . ]" 1
258 1 27 C H2' 1 27 C H6 2.500 2.500 5.000 4.110 3.973 4.196 . 0 0 "[ . ]" 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 48
_Distance_constraint_stats_list.Viol_count 208
_Distance_constraint_stats_list.Viol_total 33.227
_Distance_constraint_stats_list.Viol_max 0.108
_Distance_constraint_stats_list.Viol_rms 0.0164
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0085
_Distance_constraint_stats_list.Viol_average_violations_only 0.0177
_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 0.280 0.038 4 0 "[ . ]"
1 2 G 0.156 0.021 4 0 "[ . ]"
1 3 A 0.086 0.016 4 0 "[ . ]"
1 4 A 0.262 0.032 3 0 "[ . ]"
1 5 G 0.083 0.019 7 0 "[ . ]"
1 7 C 0.104 0.014 9 0 "[ . ]"
1 8 C 0.064 0.014 6 0 "[ . ]"
1 9 G 0.060 0.019 2 0 "[ . ]"
1 10 G 0.307 0.039 5 0 "[ . ]"
1 11 U 0.642 0.084 8 0 "[ . ]"
1 12 C 0.597 0.080 1 0 "[ . ]"
1 13 U 1.053 0.108 7 0 "[ . ]"
1 16 G 1.053 0.108 7 0 "[ . ]"
1 17 G 0.597 0.080 1 0 "[ . ]"
1 18 A 0.642 0.084 8 0 "[ . ]"
1 19 C 0.307 0.039 5 0 "[ . ]"
1 20 C 0.060 0.019 2 0 "[ . ]"
1 21 G 0.064 0.014 6 0 "[ . ]"
1 22 G 0.104 0.014 9 0 "[ . ]"
1 23 C 0.083 0.019 7 0 "[ . ]"
1 24 U 0.262 0.032 3 0 "[ . ]"
1 25 U 0.086 0.016 4 0 "[ . ]"
1 26 C 0.156 0.021 4 0 "[ . ]"
1 27 C 0.280 0.038 4 0 "[ . ]"
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 O6 1 27 C H41 1.700 . 1.800 1.718 1.591 1.818 0.018 8 0 "[ . ]" 2
2 1 1 G H21 1 27 C N3 3.000 2.900 3.100 2.951 2.897 3.114 0.014 3 0 "[ . ]" 2
3 1 1 G H21 1 27 C O2 2.000 . 2.100 1.951 1.883 2.129 0.029 3 0 "[ . ]" 2
4 1 1 G H1 1 27 C N3 1.900 . 2.000 1.984 1.813 2.038 0.038 4 0 "[ . ]" 2
5 1 2 G O6 1 26 C H41 1.700 . 1.800 1.794 1.747 1.819 0.019 3 0 "[ . ]" 2
6 1 2 G H21 1 26 C N3 3.000 2.900 3.100 3.086 2.891 3.121 0.021 4 0 "[ . ]" 2
7 1 2 G H21 1 26 C O2 2.000 . 2.100 1.955 1.898 2.062 0.002 7 0 "[ . ]" 2
8 1 2 G H1 1 26 C N3 1.900 . 2.000 1.895 1.814 1.949 . 0 0 "[ . ]" 2
9 1 3 A H2 1 25 U O2 3.200 3.100 3.300 3.221 3.088 3.305 0.012 3 0 "[ . ]" 2
10 1 3 A N1 1 25 U H3 1.900 . 2.000 1.930 1.818 1.993 . 0 0 "[ . ]" 2
11 1 3 A H61 1 25 U O4 1.800 . 1.900 1.815 1.684 1.904 0.016 4 0 "[ . ]" 2
12 1 3 A H2 1 25 U H3 2.900 2.800 3.000 2.897 2.789 3.006 0.011 3 0 "[ . ]" 2
13 1 4 A H2 1 24 U O2 3.200 3.100 3.300 3.088 3.074 3.096 0.026 2 0 "[ . ]" 2
14 1 4 A N1 1 24 U H3 1.900 . 2.000 1.995 1.936 2.018 0.018 2 0 "[ . ]" 2
15 1 4 A H61 1 24 U O4 1.800 . 1.900 1.907 1.879 1.932 0.032 3 0 "[ . ]" 2
16 1 4 A H2 1 24 U H3 2.900 2.800 3.000 2.975 2.897 3.005 0.005 7 0 "[ . ]" 2
17 1 5 G O6 1 23 C H41 1.700 . 1.800 1.716 1.594 1.818 0.018 3 0 "[ . ]" 2
18 1 5 G H21 1 23 C N3 3.000 2.900 3.100 3.004 2.889 3.100 0.011 4 0 "[ . ]" 2
19 1 5 G H21 1 23 C O2 2.000 . 2.100 2.004 1.881 2.108 0.019 7 0 "[ . ]" 2
20 1 5 G H1 1 23 C N3 1.900 . 2.000 1.931 1.838 1.994 . 0 0 "[ . ]" 2
21 1 7 C H41 1 22 G O6 1.700 . 1.900 1.897 1.849 1.914 0.014 9 0 "[ . ]" 2
22 1 7 C N3 1 22 G H21 3.000 2.800 3.200 2.820 2.791 2.981 0.009 9 0 "[ . ]" 2
23 1 7 C O2 1 22 G H21 2.000 . 2.200 2.094 1.822 2.213 0.013 7 0 "[ . ]" 2
24 1 7 C N3 1 22 G H1 1.900 . 2.100 1.913 1.712 2.069 . 0 0 "[ . ]" 2
25 1 8 C H41 1 21 G O6 1.700 . 1.800 1.652 1.593 1.804 0.007 2 0 "[ . ]" 2
26 1 8 C N3 1 21 G H21 3.000 2.900 3.100 2.944 2.893 3.094 0.007 6 0 "[ . ]" 2
27 1 8 C O2 1 21 G H21 2.000 . 2.100 2.073 2.003 2.114 0.014 6 0 "[ . ]" 2
28 1 8 C N3 1 21 G H1 1.900 . 2.000 1.919 1.816 2.011 0.011 3 0 "[ . ]" 2
29 1 9 G O6 1 20 C H41 1.700 . 1.800 1.727 1.593 1.814 0.014 4 0 "[ . ]" 2
30 1 9 G H21 1 20 C N3 3.000 2.900 3.100 3.007 2.904 3.119 0.019 2 0 "[ . ]" 2
31 1 9 G H21 1 20 C O2 2.000 . 2.100 1.942 1.891 2.043 0.009 2 0 "[ . ]" 2
32 1 9 G H1 1 20 C N3 1.900 . 2.000 1.894 1.848 1.939 . 0 0 "[ . ]" 2
33 1 10 G O6 1 19 C H41 1.700 . 1.800 1.755 1.604 1.826 0.026 7 0 "[ . ]" 2
34 1 10 G H21 1 19 C N3 3.000 2.900 3.100 3.009 2.900 3.117 0.017 5 0 "[ . ]" 2
35 1 10 G H21 1 19 C O2 2.000 . 2.100 2.111 2.074 2.124 0.024 7 0 "[ . ]" 2
36 1 10 G H1 1 19 C N3 1.900 . 2.000 1.897 1.824 2.039 0.039 5 0 "[ . ]" 2
37 1 11 U O2 1 18 A H2 3.200 3.100 3.300 3.159 3.035 3.303 0.065 7 0 "[ . ]" 2
38 1 11 U H3 1 18 A N1 1.900 . 2.000 2.042 2.020 2.084 0.084 8 0 "[ . ]" 2
39 1 11 U O4 1 18 A H61 1.800 . 1.900 1.840 1.697 1.928 0.028 9 0 "[ . ]" 2
40 1 11 U H3 1 18 A H2 2.900 2.800 3.000 2.839 2.771 3.016 0.029 2 0 "[ . ]" 2
41 1 12 C H41 1 17 G O6 1.700 . 1.800 1.691 1.549 1.830 0.051 2 0 "[ . ]" 2
42 1 12 C N3 1 17 G H21 3.000 2.900 3.100 3.071 2.873 3.116 0.027 2 0 "[ . ]" 2
43 1 12 C O2 1 17 G H21 2.000 . 2.100 2.138 2.113 2.180 0.080 1 0 "[ . ]" 2
44 1 12 C N3 1 17 G H1 1.900 . 2.000 1.899 1.797 1.961 0.003 2 0 "[ . ]" 2
45 1 13 U O2 1 16 G H1 1.900 . 2.100 2.090 1.875 2.169 0.069 9 0 "[ . ]" 2
46 1 13 U O2 1 16 G H21 2.400 2.200 2.600 2.466 2.374 2.614 0.014 5 0 "[ . ]" 2
47 1 13 U H3 1 16 G H21 3.800 3.600 4.000 3.944 3.607 4.050 0.050 1 0 "[ . ]" 2
48 1 13 U H3 1 16 G H1 4.400 4.200 4.600 4.126 4.092 4.171 0.108 7 0 "[ . ]" 2
stop_
save_
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