NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
655439 |
7bfx   |
34588 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_7bfx
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 342
_Distance_constraint_stats_list.Viol_count 182
_Distance_constraint_stats_list.Viol_total 216.535
_Distance_constraint_stats_list.Viol_max 0.545
_Distance_constraint_stats_list.Viol_rms 0.0370
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0063
_Distance_constraint_stats_list.Viol_average_violations_only 0.1190
_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 DA 1.061 0.251 8 0 "[ . 1]"
1 2 DG 0.859 0.209 5 0 "[ . 1]"
1 3 DC 1.185 0.266 7 0 "[ . 1]"
1 4 DA 2.425 0.276 3 0 "[ . 1]"
1 5 DA 3.156 0.276 3 0 "[ . 1]"
1 6 DT 2.467 0.248 6 0 "[ . 1]"
1 7 DC 0.178 0.130 8 0 "[ . 1]"
1 8 DC 1.923 0.483 9 0 "[ . 1]"
1 9 DC 2.109 0.483 9 0 "[ . 1]"
1 10 DC 1.270 0.257 7 0 "[ . 1]"
1 11 DC 1.150 0.244 1 0 "[ . 1]"
1 12 DC 0.883 0.246 1 0 "[ . 1]"
1 13 DG 0.752 0.258 1 0 "[ . 1]"
1 14 DG 0.926 0.205 6 0 "[ . 1]"
1 15 DA 1.053 0.234 3 0 "[ . 1]"
1 16 DT 1.295 0.307 9 0 "[ . 1]"
1 17 DT 1.871 0.307 9 0 "[ . 1]"
1 18 DG 2.243 0.287 6 0 "[ . 1]"
1 19 DC 4.232 0.545 8 3 "[ *. +-1]"
1 20 DT 0.535 0.315 10 0 "[ . 1]"
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 7 DC H2' 1 8 DC H6 4.500 . 6.500 5.536 4.753 6.530 0.030 6 0 "[ . 1]" 1
2 1 8 DC H2'' 1 9 DC H5' 4.000 . 5.000 4.258 2.641 5.483 0.483 9 0 "[ . 1]" 1
3 1 8 DC H2'' 1 9 DC H6 4.500 . 6.500 4.588 3.100 5.775 . 0 0 "[ . 1]" 1
4 1 3 DC H5 1 3 DC H6 2.500 . 3.200 2.459 2.346 2.605 . 0 0 "[ . 1]" 1
5 1 7 DC H5 1 7 DC H6 2.500 . 3.200 2.491 2.355 2.619 . 0 0 "[ . 1]" 1
6 1 8 DC H5 1 8 DC H6 2.500 . 3.200 2.468 2.353 2.545 . 0 0 "[ . 1]" 1
7 1 9 DC H5 1 9 DC H6 2.500 . 3.200 2.430 2.310 2.553 . 0 0 "[ . 1]" 1
8 1 10 DC H5 1 10 DC H6 2.500 . 3.200 2.417 2.274 2.552 . 0 0 "[ . 1]" 1
9 1 11 DC H5 1 11 DC H6 2.500 . 3.200 2.505 2.430 2.631 . 0 0 "[ . 1]" 1
10 1 12 DC H5 1 12 DC H6 2.500 . 3.200 2.450 2.273 2.596 . 0 0 "[ . 1]" 1
11 1 19 DC H5 1 19 DC H6 2.500 . 3.200 2.417 2.318 2.567 . 0 0 "[ . 1]" 1
12 1 1 DA H1' 1 1 DA H8 3.200 . 4.000 3.800 3.685 3.891 . 0 0 "[ . 1]" 1
13 1 2 DG H1' 1 2 DG H8 3.200 . 4.000 3.775 3.565 3.934 . 0 0 "[ . 1]" 1
14 1 3 DC H1' 1 3 DC H6 4.000 . 5.000 3.706 3.559 3.802 . 0 0 "[ . 1]" 1
15 1 4 DA H1' 1 4 DA H8 3.200 . 4.000 3.750 3.633 3.830 . 0 0 "[ . 1]" 1
16 1 5 DA H1' 1 5 DA H8 3.200 . 4.000 3.763 3.683 3.902 . 0 0 "[ . 1]" 1
17 1 6 DT H1' 1 6 DT H6 3.200 . 4.000 3.569 3.406 3.723 . 0 0 "[ . 1]" 1
18 1 7 DC H1' 1 7 DC H6 4.000 . 5.000 3.665 3.583 3.773 . 0 0 "[ . 1]" 1
19 1 9 DC H1' 1 9 DC H6 4.000 . 5.000 3.717 3.573 3.818 . 0 0 "[ . 1]" 1
20 1 11 DC H1' 1 11 DC H6 4.500 . 6.500 3.661 3.438 3.766 . 0 0 "[ . 1]" 1
21 1 12 DC H1' 1 12 DC H6 4.500 . 6.500 3.710 3.610 3.864 . 0 0 "[ . 1]" 1
22 1 13 DG H1' 1 13 DG H8 3.200 . 4.000 3.815 3.737 3.985 . 0 0 "[ . 1]" 1
23 1 14 DG H1' 1 14 DG H8 4.500 . 6.500 3.818 3.667 3.916 . 0 0 "[ . 1]" 1
24 1 15 DA H1' 1 15 DA H8 3.200 . 4.000 3.752 3.505 3.893 . 0 0 "[ . 1]" 1
25 1 16 DT H1' 1 16 DT H6 3.200 . 4.000 3.680 3.588 3.829 . 0 0 "[ . 1]" 1
26 1 17 DT H1' 1 17 DT H6 3.200 . 4.000 3.624 3.544 3.719 . 0 0 "[ . 1]" 1
27 1 18 DG H1' 1 18 DG H8 3.200 . 4.000 3.813 3.705 3.912 . 0 0 "[ . 1]" 1
28 1 19 DC H1' 1 19 DC H6 4.000 . 5.000 3.631 3.490 3.834 . 0 0 "[ . 1]" 1
29 1 20 DT H1' 1 20 DT H6 3.200 . 4.000 3.638 3.153 3.757 . 0 0 "[ . 1]" 1
30 1 1 DA H1' 1 1 DA H2'' 2.500 . 3.200 2.375 2.256 2.490 . 0 0 "[ . 1]" 1
31 1 2 DG H1' 1 2 DG H2'' 3.200 . 4.000 2.270 2.035 2.486 . 0 0 "[ . 1]" 1
32 1 4 DA H1' 1 4 DA H2'' 3.200 . 4.000 2.293 2.111 2.509 . 0 0 "[ . 1]" 1
33 1 5 DA H1' 1 5 DA H2'' 3.200 . 4.000 2.353 2.205 2.546 . 0 0 "[ . 1]" 1
34 1 6 DT H1' 1 6 DT H2'' 3.200 . 4.000 2.332 2.217 2.483 . 0 0 "[ . 1]" 1
35 1 7 DC H1' 1 7 DC H2' 2.500 . 3.200 2.844 2.710 2.941 . 0 0 "[ . 1]" 1
36 1 8 DC H1' 1 8 DC H2'' 2.500 . 3.200 2.237 2.117 2.374 . 0 0 "[ . 1]" 1
37 1 9 DC H1' 1 9 DC H2'' 3.200 . 4.000 2.268 2.104 2.588 . 0 0 "[ . 1]" 1
38 1 10 DC H1' 1 10 DC H2'' 3.200 . 4.000 2.255 2.056 2.406 . 0 0 "[ . 1]" 1
39 1 11 DC H1' 1 11 DC H2'' 3.200 . 4.000 2.253 2.195 2.352 . 0 0 "[ . 1]" 1
40 1 12 DC H1' 1 12 DC H2'' 3.200 . 4.000 2.295 2.007 2.444 . 0 0 "[ . 1]" 1
41 1 13 DG H1' 1 13 DG H2' 2.500 . 3.200 2.734 2.573 2.858 . 0 0 "[ . 1]" 1
42 1 14 DG H1' 1 14 DG H2'' 3.200 . 4.000 2.310 2.154 2.416 . 0 0 "[ . 1]" 1
43 1 15 DA H1' 1 15 DA H2'' 3.200 . 4.000 2.399 2.245 2.556 . 0 0 "[ . 1]" 1
44 1 16 DT H1' 1 16 DT H2'' 3.200 . 4.000 2.330 2.158 2.452 . 0 0 "[ . 1]" 1
45 1 17 DT H1' 1 17 DT H2' 3.200 . 4.000 2.803 2.625 2.996 . 0 0 "[ . 1]" 1
46 1 19 DC H1' 1 19 DC H2'' 2.500 . 3.200 2.292 2.119 2.394 . 0 0 "[ . 1]" 1
47 1 1 DA H1' 1 1 DA H2' 3.200 . 4.000 2.748 2.563 2.906 . 0 0 "[ . 1]" 1
48 1 2 DG H1' 1 2 DG H2' 3.200 . 4.000 2.727 2.581 2.945 . 0 0 "[ . 1]" 1
49 1 4 DA H1' 1 4 DA H2' 3.200 . 4.000 2.802 2.656 2.949 . 0 0 "[ . 1]" 1
50 1 5 DA H1' 1 5 DA H2' 3.200 . 4.000 2.877 2.814 2.942 . 0 0 "[ . 1]" 1
51 1 6 DT H1' 1 6 DT H2' 3.200 . 4.000 2.719 2.624 2.797 . 0 0 "[ . 1]" 1
52 1 9 DC H1' 1 9 DC H2' 3.200 . 4.000 2.847 2.713 3.002 . 0 0 "[ . 1]" 1
53 1 10 DC H1' 1 10 DC H2' 3.200 . 4.000 2.786 2.651 2.904 . 0 0 "[ . 1]" 1
54 1 11 DC H1' 1 11 DC H2' 4.000 . 5.000 2.911 2.810 2.971 . 0 0 "[ . 1]" 1
55 1 12 DC H1' 1 12 DC H2' 3.200 . 4.000 2.876 2.629 3.073 . 0 0 "[ . 1]" 1
56 1 14 DG H1' 1 14 DG H2' 3.200 . 4.000 2.688 2.522 2.802 . 0 0 "[ . 1]" 1
57 1 15 DA H1' 1 15 DA H2' 3.200 . 4.000 3.056 2.988 3.166 . 0 0 "[ . 1]" 1
58 1 16 DT H1' 1 16 DT H2' 3.200 . 4.000 2.795 2.586 2.945 . 0 0 "[ . 1]" 1
59 1 18 DG H1' 1 18 DG H2' 3.200 . 4.000 2.746 2.609 2.901 . 0 0 "[ . 1]" 1
60 1 19 DC H1' 1 19 DC H2' 3.200 . 4.000 2.790 2.642 2.905 . 0 0 "[ . 1]" 1
61 1 1 DA H1' 1 1 DA H3' 4.000 . 5.000 4.115 3.925 4.206 . 0 0 "[ . 1]" 1
62 1 2 DG H1' 1 2 DG H3' 3.200 . 4.000 3.993 3.828 4.155 0.155 7 0 "[ . 1]" 1
63 1 3 DC H1' 1 3 DC H3' 3.200 . 4.000 4.008 3.865 4.138 0.138 1 0 "[ . 1]" 1
64 1 4 DA H1' 1 4 DA H3' 3.200 . 4.000 4.009 3.761 4.128 0.128 4 0 "[ . 1]" 1
65 1 5 DA H1' 1 5 DA H3' 4.000 . 5.000 3.791 3.613 4.012 . 0 0 "[ . 1]" 1
66 1 7 DC H1' 1 7 DC H3' 4.000 . 5.000 3.924 3.632 4.023 . 0 0 "[ . 1]" 1
67 1 8 DC H1' 1 8 DC H3' 4.000 . 5.000 3.731 3.271 3.903 . 0 0 "[ . 1]" 1
68 1 9 DC H1' 1 9 DC H3' 4.000 . 5.000 3.859 3.768 4.049 . 0 0 "[ . 1]" 1
69 1 10 DC H1' 1 10 DC H3' 4.000 . 5.000 3.913 3.712 4.149 . 0 0 "[ . 1]" 1
70 1 11 DC H1' 1 11 DC H3' 4.000 . 5.000 3.626 2.971 3.893 . 0 0 "[ . 1]" 1
71 1 12 DC H1' 1 12 DC H3' 4.000 . 5.000 3.361 2.364 4.006 . 0 0 "[ . 1]" 1
72 1 13 DG H1' 1 13 DG H3' 4.000 . 5.000 4.069 3.947 4.189 . 0 0 "[ . 1]" 1
73 1 16 DT H1' 1 16 DT H3' 4.000 . 5.000 4.013 3.927 4.116 . 0 0 "[ . 1]" 1
74 1 17 DT H1' 1 17 DT H3' 4.500 . 6.500 4.033 3.903 4.163 . 0 0 "[ . 1]" 1
75 1 18 DG H1' 1 18 DG H3' 3.200 . 4.000 4.026 3.819 4.122 0.122 4 0 "[ . 1]" 1
76 1 19 DC H1' 1 19 DC H3' 4.000 . 5.000 4.057 3.881 4.169 . 0 0 "[ . 1]" 1
77 1 20 DT H1' 1 20 DT H3' 3.200 . 4.000 3.509 2.763 3.944 . 0 0 "[ . 1]" 1
78 1 1 DA H1' 1 1 DA H4' 3.200 . 4.000 3.366 3.035 3.564 . 0 0 "[ . 1]" 1
79 1 2 DG H1' 1 2 DG H4' 3.200 . 4.000 3.174 2.931 3.409 . 0 0 "[ . 1]" 1
80 1 3 DC H1' 1 3 DC H4' 3.200 . 4.000 2.964 2.781 3.244 . 0 0 "[ . 1]" 1
81 1 4 DA H1' 1 4 DA H4' 3.200 . 4.000 3.169 2.961 3.472 . 0 0 "[ . 1]" 1
82 1 5 DA H1' 1 5 DA H4' 3.200 . 4.000 2.899 2.705 3.134 . 0 0 "[ . 1]" 1
83 1 7 DC H1' 1 7 DC H4' 3.200 . 4.000 2.884 2.626 3.079 . 0 0 "[ . 1]" 1
84 1 8 DC H1' 1 8 DC H4' 3.200 . 4.000 2.820 2.644 3.034 . 0 0 "[ . 1]" 1
85 1 9 DC H1' 1 9 DC H4' 3.200 . 4.000 3.244 2.862 3.648 . 0 0 "[ . 1]" 1
86 1 10 DC H1' 1 10 DC H4' 3.200 . 4.000 3.319 2.945 3.665 . 0 0 "[ . 1]" 1
87 1 11 DC H1' 1 11 DC H4' 3.200 . 4.000 2.781 2.249 3.162 . 0 0 "[ . 1]" 1
88 1 12 DC H1' 1 12 DC H4' 3.200 . 4.000 2.952 2.185 3.822 . 0 0 "[ . 1]" 1
89 1 13 DG H1' 1 13 DG H4' 3.200 . 4.000 3.336 3.099 3.529 . 0 0 "[ . 1]" 1
90 1 14 DG H1' 1 14 DG H4' 3.200 . 4.000 3.195 2.806 3.586 . 0 0 "[ . 1]" 1
91 1 15 DA H1' 1 15 DA H4' 3.200 . 4.000 2.750 2.507 3.008 . 0 0 "[ . 1]" 1
92 1 16 DT H1' 1 16 DT H4' 3.200 . 4.000 3.089 2.935 3.234 . 0 0 "[ . 1]" 1
93 1 17 DT H1' 1 17 DT H4' 3.200 . 4.000 3.005 2.801 3.151 . 0 0 "[ . 1]" 1
94 1 18 DG H1' 1 18 DG H4' 3.200 . 4.000 3.123 2.840 3.434 . 0 0 "[ . 1]" 1
95 1 19 DC H1' 1 19 DC H4' 3.200 . 4.000 2.994 2.715 3.232 . 0 0 "[ . 1]" 1
96 1 20 DT H1' 1 20 DT H4' 3.200 . 4.000 2.766 2.531 3.041 . 0 0 "[ . 1]" 1
97 1 1 DA H2'' 1 1 DA H8 4.000 . 5.000 4.520 4.358 4.694 . 0 0 "[ . 1]" 1
98 1 2 DG H2'' 1 2 DG H8 4.500 . 6.500 4.556 4.300 4.772 . 0 0 "[ . 1]" 1
99 1 3 DC H2'' 1 3 DC H6 4.500 . 6.500 4.385 4.090 4.621 . 0 0 "[ . 1]" 1
100 1 4 DA H2'' 1 4 DA H8 4.500 . 6.500 4.627 4.405 4.788 . 0 0 "[ . 1]" 1
101 1 5 DA H2'' 1 5 DA H8 4.500 . 6.500 4.599 4.339 4.767 . 0 0 "[ . 1]" 1
102 1 6 DT H2'' 1 6 DT H6 4.500 . 6.500 4.464 4.357 4.594 . 0 0 "[ . 1]" 1
103 1 7 DC H2' 1 7 DC H6 4.500 . 6.500 3.260 2.726 3.622 . 0 0 "[ . 1]" 1
104 1 8 DC H2'' 1 8 DC H6 4.500 . 6.500 4.133 3.934 4.434 . 0 0 "[ . 1]" 1
105 1 9 DC H2'' 1 9 DC H6 4.500 . 6.500 4.060 3.864 4.291 . 0 0 "[ . 1]" 1
106 1 10 DC H2'' 1 10 DC H6 4.500 . 6.500 3.968 3.708 4.137 . 0 0 "[ . 1]" 1
107 1 11 DC H2'' 1 11 DC H6 4.500 . 6.500 4.110 3.875 4.327 . 0 0 "[ . 1]" 1
108 1 12 DC H2'' 1 12 DC H6 4.500 . 6.500 3.938 3.375 4.536 . 0 0 "[ . 1]" 1
109 1 13 DG H2' 1 13 DG H8 4.500 . 6.500 3.720 3.424 3.976 . 0 0 "[ . 1]" 1
110 1 14 DG H2'' 1 14 DG H8 4.500 . 6.500 4.661 4.423 4.820 . 0 0 "[ . 1]" 1
111 1 15 DA H2'' 1 15 DA H8 4.500 . 6.500 4.176 4.074 4.324 . 0 0 "[ . 1]" 1
112 1 16 DT H2'' 1 16 DT H6 4.500 . 6.500 4.444 4.233 4.659 . 0 0 "[ . 1]" 1
113 1 17 DT H2' 1 17 DT H6 4.000 . 5.000 3.576 3.186 3.714 . 0 0 "[ . 1]" 1
114 1 19 DC H2'' 1 19 DC H6 3.200 . 4.000 4.422 4.210 4.545 0.545 8 3 "[ *. +-1]" 1
115 1 20 DT H2'' 1 20 DT H6 4.500 . 6.500 4.400 3.983 4.681 . 0 0 "[ . 1]" 1
116 1 1 DA H2' 1 1 DA H8 4.000 . 5.000 3.802 3.687 4.040 . 0 0 "[ . 1]" 1
117 1 2 DG H2' 1 2 DG H8 4.500 . 6.500 3.791 3.300 4.094 . 0 0 "[ . 1]" 1
118 1 3 DC H2' 1 3 DC H6 4.500 . 6.500 3.502 3.042 3.805 . 0 0 "[ . 1]" 1
119 1 4 DA H2' 1 4 DA H8 4.500 . 6.500 3.844 3.478 4.274 . 0 0 "[ . 1]" 1
120 1 5 DA H2' 1 5 DA H8 4.500 . 6.500 3.434 2.934 3.693 . 0 0 "[ . 1]" 1
121 1 9 DC H2' 1 9 DC H6 4.500 . 6.500 2.780 2.551 3.056 . 0 0 "[ . 1]" 1
122 1 10 DC H2' 1 10 DC H6 4.000 . 5.000 2.765 2.271 3.090 . 0 0 "[ . 1]" 1
123 1 11 DC H2' 1 11 DC H6 4.000 . 5.000 2.901 2.374 3.202 . 0 0 "[ . 1]" 1
124 1 12 DC H2' 1 12 DC H6 4.500 . 6.500 2.597 2.062 3.718 . 0 0 "[ . 1]" 1
125 1 14 DG H2' 1 14 DG H8 4.500 . 6.500 3.860 3.652 4.056 . 0 0 "[ . 1]" 1
126 1 15 DA H2' 1 15 DA H8 3.200 . 4.000 3.024 2.863 3.172 . 0 0 "[ . 1]" 1
127 1 15 DA H2' 1 16 DT H6 3.200 . 4.000 3.310 3.033 3.991 . 0 0 "[ . 1]" 1
128 1 18 DG H2' 1 18 DG H8 4.500 . 6.500 3.699 3.365 4.015 . 0 0 "[ . 1]" 1
129 1 19 DC H2' 1 19 DC H6 4.500 . 6.500 3.691 3.210 3.912 . 0 0 "[ . 1]" 1
130 1 20 DT H2' 1 20 DT H6 4.500 . 6.500 3.261 2.602 4.096 . 0 0 "[ . 1]" 1
131 1 1 DA H2' 1 1 DA H3' 3.200 . 4.000 2.685 2.514 2.806 . 0 0 "[ . 1]" 1
132 1 2 DG H2' 1 2 DG H3' 3.200 . 4.000 2.698 2.559 2.845 . 0 0 "[ . 1]" 1
133 1 3 DC H2' 1 3 DC H3' 3.200 . 4.000 2.714 2.506 2.842 . 0 0 "[ . 1]" 1
134 1 5 DA H2' 1 5 DA H3' 3.200 . 4.000 2.844 2.755 2.916 . 0 0 "[ . 1]" 1
135 1 6 DT H2' 1 6 DT H3' 3.200 . 4.000 2.714 2.600 2.802 . 0 0 "[ . 1]" 1
136 1 9 DC H2' 1 9 DC H3' 3.200 . 4.000 2.770 2.603 2.988 . 0 0 "[ . 1]" 1
137 1 10 DC H2' 1 10 DC H3' 3.200 . 4.000 2.819 2.694 2.979 . 0 0 "[ . 1]" 1
138 1 11 DC H2' 1 11 DC H3' 3.200 . 4.000 2.767 2.548 2.910 . 0 0 "[ . 1]" 1
139 1 12 DC H2' 1 12 DC H3' 3.200 . 4.000 2.914 2.683 3.075 . 0 0 "[ . 1]" 1
140 1 15 DA H2' 1 15 DA H3' 3.200 . 4.000 3.034 2.916 3.133 . 0 0 "[ . 1]" 1
141 1 16 DT H2' 1 16 DT H3' 3.200 . 4.000 2.752 2.491 2.894 . 0 0 "[ . 1]" 1
142 1 18 DG H2' 1 18 DG H3' 3.200 . 4.000 2.754 2.579 2.897 . 0 0 "[ . 1]" 1
143 1 19 DC H2' 1 19 DC H3' 3.200 . 4.000 2.668 2.513 2.767 . 0 0 "[ . 1]" 1
144 1 20 DT H2' 1 20 DT H3' 3.200 . 4.000 2.850 2.704 3.008 . 0 0 "[ . 1]" 1
145 1 1 DA H2'' 1 1 DA H3' 2.500 . 3.200 2.344 2.213 2.423 . 0 0 "[ . 1]" 1
146 1 2 DG H2'' 1 2 DG H3' 2.500 . 3.200 2.363 2.226 2.497 . 0 0 "[ . 1]" 1
147 1 3 DC H2'' 1 3 DC H3' 3.200 . 4.000 2.309 1.961 2.491 0.039 4 0 "[ . 1]" 1
148 1 5 DA H2'' 1 5 DA H3' 2.500 . 3.200 2.323 2.202 2.445 . 0 0 "[ . 1]" 1
149 1 6 DT H2'' 1 6 DT H3' 2.500 . 3.200 2.358 2.144 2.467 . 0 0 "[ . 1]" 1
150 1 7 DC H2' 1 7 DC H3' 2.500 . 3.200 2.765 2.680 2.833 . 0 0 "[ . 1]" 1
151 1 8 DC H2'' 1 8 DC H3' 2.500 . 3.200 2.344 2.261 2.485 . 0 0 "[ . 1]" 1
152 1 9 DC H2'' 1 9 DC H3' 2.500 . 3.200 2.340 2.105 2.712 . 0 0 "[ . 1]" 1
153 1 10 DC H2'' 1 10 DC H3' 3.200 . 4.000 2.264 2.105 2.418 . 0 0 "[ . 1]" 1
154 1 11 DC H2'' 1 11 DC H3' 3.200 . 4.000 2.218 1.994 2.353 0.006 1 0 "[ . 1]" 1
155 1 12 DC H2'' 1 12 DC H3' 3.200 . 4.000 2.334 2.072 2.536 . 0 0 "[ . 1]" 1
156 1 13 DG H2' 1 13 DG H3' 2.500 . 3.200 2.759 2.671 2.853 . 0 0 "[ . 1]" 1
157 1 15 DA H2'' 1 15 DA H3' 3.200 . 4.000 2.421 2.253 2.645 . 0 0 "[ . 1]" 1
158 1 16 DT H2'' 1 16 DT H3' 3.200 . 4.000 2.318 2.102 2.543 . 0 0 "[ . 1]" 1
159 1 17 DT H2' 1 17 DT H3' 3.200 . 4.000 2.712 2.622 2.829 . 0 0 "[ . 1]" 1
160 1 19 DC H2'' 1 19 DC H3' 2.500 . 3.200 2.382 2.229 2.526 . 0 0 "[ . 1]" 1
161 1 20 DT H2'' 1 20 DT H3' 2.500 . 3.200 2.319 2.153 2.498 . 0 0 "[ . 1]" 1
162 1 1 DA H2' 1 1 DA H4' 4.000 . 5.000 3.780 3.606 3.978 . 0 0 "[ . 1]" 1
163 1 2 DG H2' 1 2 DG H4' 4.000 . 5.000 3.733 3.448 3.879 . 0 0 "[ . 1]" 1
164 1 3 DC H2' 1 3 DC H4' 3.200 . 4.000 3.675 3.469 3.799 . 0 0 "[ . 1]" 1
165 1 4 DA H2' 1 4 DA H4' 3.200 . 4.000 3.658 3.520 3.859 . 0 0 "[ . 1]" 1
166 1 5 DA H2' 1 5 DA H4' 4.000 . 5.000 3.804 3.642 3.988 . 0 0 "[ . 1]" 1
167 1 6 DT H2' 1 6 DT H4' 3.200 . 4.000 3.776 3.636 3.917 . 0 0 "[ . 1]" 1
168 1 9 DC H2' 1 9 DC H4' 4.000 . 5.000 3.891 3.745 3.995 . 0 0 "[ . 1]" 1
169 1 10 DC H2' 1 10 DC H4' 4.500 . 6.500 3.929 3.757 4.110 . 0 0 "[ . 1]" 1
170 1 11 DC H2' 1 11 DC H4' 4.500 . 6.500 3.791 3.504 3.956 . 0 0 "[ . 1]" 1
171 1 14 DG H2' 1 14 DG H4' 3.200 . 4.000 3.643 3.558 3.757 . 0 0 "[ . 1]" 1
172 1 15 DA H2' 1 15 DA H4' 3.200 . 4.000 3.798 3.629 3.914 . 0 0 "[ . 1]" 1
173 1 18 DG H2' 1 18 DG H4' 4.000 . 5.000 3.703 3.533 3.860 . 0 0 "[ . 1]" 1
174 1 19 DC H2' 1 19 DC H4' 3.200 . 4.000 3.527 3.428 3.593 . 0 0 "[ . 1]" 1
175 1 20 DT H2' 1 20 DT H4' 4.000 . 5.000 3.753 3.623 3.995 . 0 0 "[ . 1]" 1
176 1 1 DA H2'' 1 1 DA H4' 3.200 . 4.000 2.671 2.252 2.981 . 0 0 "[ . 1]" 1
177 1 2 DG H2'' 1 2 DG H4' 3.200 . 4.000 2.645 2.176 2.851 . 0 0 "[ . 1]" 1
178 1 3 DC H2'' 1 3 DC H4' 3.200 . 4.000 2.558 2.255 2.842 . 0 0 "[ . 1]" 1
179 1 4 DA H2'' 1 4 DA H4' 3.200 . 4.000 2.559 2.271 2.877 . 0 0 "[ . 1]" 1
180 1 5 DA H2'' 1 5 DA H4' 3.200 . 4.000 3.042 2.779 3.185 . 0 0 "[ . 1]" 1
181 1 6 DT H2'' 1 6 DT H4' 3.200 . 4.000 2.745 2.513 3.057 . 0 0 "[ . 1]" 1
182 1 7 DC H2' 1 7 DC H4' 3.200 . 4.000 3.717 3.586 3.803 . 0 0 "[ . 1]" 1
183 1 8 DC H2'' 1 8 DC H4' 3.200 . 4.000 2.991 2.768 3.397 . 0 0 "[ . 1]" 1
184 1 9 DC H2'' 1 9 DC H4' 3.200 . 4.000 3.157 2.996 3.314 . 0 0 "[ . 1]" 1
185 1 10 DC H2'' 1 10 DC H4' 3.200 . 4.000 2.987 2.631 3.203 . 0 0 "[ . 1]" 1
186 1 11 DC H2'' 1 11 DC H4' 3.200 . 4.000 2.957 2.403 3.329 . 0 0 "[ . 1]" 1
187 1 12 DC H2'' 1 12 DC H4' 3.200 . 4.000 3.404 2.573 4.025 0.025 10 0 "[ . 1]" 1
188 1 13 DG H2' 1 13 DG H4' 3.200 . 4.000 3.787 3.673 3.884 . 0 0 "[ . 1]" 1
189 1 14 DG H2'' 1 14 DG H4' 3.200 . 4.000 2.522 2.360 2.748 . 0 0 "[ . 1]" 1
190 1 16 DT H2'' 1 16 DT H4' 3.200 . 4.000 2.621 2.355 2.911 . 0 0 "[ . 1]" 1
191 1 17 DT H2' 1 17 DT H4' 3.200 . 4.000 3.602 3.388 3.673 . 0 0 "[ . 1]" 1
192 1 19 DC H2'' 1 19 DC H4' 2.500 . 3.200 2.383 2.254 2.498 . 0 0 "[ . 1]" 1
193 1 20 DT H2'' 1 20 DT H4' 3.200 . 4.000 3.219 2.739 4.003 0.003 4 0 "[ . 1]" 1
194 1 1 DA H5' 1 1 DA H8 2.500 . 3.200 3.113 2.447 3.451 0.251 8 0 "[ . 1]" 1
195 1 2 DG H5' 1 2 DG H8 2.500 . 3.200 3.125 2.889 3.290 0.090 5 0 "[ . 1]" 1
196 1 3 DC H5' 1 3 DC H6 3.200 . 4.000 3.352 3.045 3.681 . 0 0 "[ . 1]" 1
197 1 4 DA H5' 1 4 DA H8 3.200 . 4.000 3.362 2.901 3.769 . 0 0 "[ . 1]" 1
198 1 5 DA H5' 1 5 DA H8 3.200 . 4.000 3.778 3.521 4.188 0.188 7 0 "[ . 1]" 1
199 1 6 DT H5' 1 6 DT H6 3.200 . 4.000 3.181 2.349 3.471 . 0 0 "[ . 1]" 1
200 1 7 DC H5' 1 7 DC H6 3.200 . 4.000 3.333 2.902 3.971 . 0 0 "[ . 1]" 1
201 1 8 DC H5' 1 8 DC H6 3.200 . 4.000 3.852 3.369 4.266 0.266 1 0 "[ . 1]" 1
202 1 9 DC H5' 1 9 DC H6 3.200 . 4.000 3.917 3.402 4.145 0.145 8 0 "[ . 1]" 1
203 1 10 DC H5' 1 10 DC H6 3.200 . 4.000 3.802 3.085 4.097 0.097 1 0 "[ . 1]" 1
204 1 11 DC H5' 1 11 DC H6 4.000 . 5.000 4.669 4.259 5.085 0.085 4 0 "[ . 1]" 1
205 1 12 DC H5' 1 12 DC H6 3.200 . 4.000 3.882 3.641 4.191 0.191 1 0 "[ . 1]" 1
206 1 13 DG H5' 1 13 DG H8 3.200 . 4.000 3.866 3.364 4.258 0.258 1 0 "[ . 1]" 1
207 1 14 DG H5' 1 14 DG H8 3.200 . 4.000 3.754 3.112 4.119 0.119 8 0 "[ . 1]" 1
208 1 15 DA H5' 1 15 DA H8 3.200 . 4.000 3.862 3.531 4.234 0.234 3 0 "[ . 1]" 1
209 1 16 DT H5' 1 16 DT H6 3.200 . 4.000 4.012 3.862 4.135 0.135 6 0 "[ . 1]" 1
210 1 17 DT H5' 1 17 DT H6 3.200 . 4.000 3.501 3.145 4.144 0.144 3 0 "[ . 1]" 1
211 1 18 DG H5' 1 18 DG H8 2.500 . 3.200 3.216 2.939 3.381 0.181 5 0 "[ . 1]" 1
212 1 19 DC H5' 1 19 DC H6 3.200 . 4.000 3.326 3.123 3.601 . 0 0 "[ . 1]" 1
213 1 20 DT H5' 1 20 DT H6 3.200 . 4.000 3.548 3.046 4.143 0.143 10 0 "[ . 1]" 1
214 1 1 DA H5'' 1 1 DA H8 3.200 . 4.000 2.686 1.951 3.640 0.049 1 0 "[ . 1]" 1
215 1 2 DG H5'' 1 2 DG H8 3.200 . 4.000 3.192 2.811 3.590 . 0 0 "[ . 1]" 1
216 1 3 DC H5'' 1 3 DC H6 3.200 . 4.000 3.841 3.488 4.012 0.012 9 0 "[ . 1]" 1
217 1 5 DA H5'' 1 5 DA H8 3.200 . 4.000 3.835 3.517 4.069 0.069 7 0 "[ . 1]" 1
218 1 6 DT H5'' 1 6 DT H6 3.200 . 4.000 2.370 2.161 2.621 . 0 0 "[ . 1]" 1
219 1 8 DC H5'' 1 8 DC H6 4.000 . 5.000 3.732 2.995 4.554 . 0 0 "[ . 1]" 1
220 1 9 DC H5'' 1 9 DC H6 3.200 . 4.000 3.249 2.360 4.018 0.018 7 0 "[ . 1]" 1
221 1 10 DC H5'' 1 10 DC H6 4.500 . 6.500 2.926 2.385 4.011 . 0 0 "[ . 1]" 1
222 1 14 DG H5'' 1 14 DG H8 4.000 . 5.000 3.210 2.558 3.974 . 0 0 "[ . 1]" 1
223 1 15 DA H5'' 1 15 DA H8 3.200 . 4.000 4.009 3.737 4.211 0.211 10 0 "[ . 1]" 1
224 1 16 DT H5'' 1 16 DT H6 3.200 . 4.000 2.668 2.375 2.873 . 0 0 "[ . 1]" 1
225 1 18 DG H5'' 1 18 DG H8 3.200 . 4.000 3.278 3.050 3.460 . 0 0 "[ . 1]" 1
226 1 20 DT H5'' 1 20 DT H6 3.200 . 4.000 3.819 3.345 4.315 0.315 10 0 "[ . 1]" 1
227 1 5 DA H2' 1 6 DT H6 4.000 . 5.000 3.517 3.273 3.858 . 0 0 "[ . 1]" 1
228 1 8 DC H2' 1 9 DC H6 4.500 . 6.500 3.412 2.583 4.304 . 0 0 "[ . 1]" 1
229 1 9 DC H2' 1 10 DC H6 4.000 . 5.000 3.453 3.173 3.963 . 0 0 "[ . 1]" 1
230 1 10 DC H2' 1 11 DC H6 4.000 . 5.000 3.473 2.252 4.097 . 0 0 "[ . 1]" 1
231 1 12 DC H2' 1 13 DG H8 4.500 . 6.500 4.756 2.499 6.746 0.246 1 0 "[ . 1]" 1
232 1 1 DA H2 1 2 DG H1' 3.200 . 4.000 3.277 2.687 3.814 . 0 0 "[ . 1]" 1
233 1 4 DA H2 1 5 DA H1' 3.200 . 4.000 3.189 2.403 3.950 . 0 0 "[ . 1]" 1
234 1 5 DA H2 1 6 DT H1' 3.200 . 4.000 3.460 2.696 3.931 . 0 0 "[ . 1]" 1
235 1 15 DA H2 1 16 DT H6 4.000 . 5.000 4.793 4.550 5.071 0.071 1 0 "[ . 1]" 1
236 1 1 DA H2' 1 2 DG H1' 4.500 . 6.500 4.699 4.305 5.094 . 0 0 "[ . 1]" 1
237 1 3 DC H1' 1 4 DA H4' 4.500 . 6.500 5.360 4.822 5.958 . 0 0 "[ . 1]" 1
238 1 4 DA H1' 1 5 DA H4' 4.500 . 6.500 5.194 4.484 5.873 . 0 0 "[ . 1]" 1
239 1 5 DA H1' 1 6 DT H4' 4.500 . 6.500 5.756 5.185 6.327 . 0 0 "[ . 1]" 1
240 1 6 DT H1' 1 7 DC H4' 4.500 . 6.500 5.365 4.793 6.145 . 0 0 "[ . 1]" 1
241 1 7 DC H1' 1 8 DC H4' 4.500 . 6.500 5.589 5.115 6.017 . 0 0 "[ . 1]" 1
242 1 8 DC H1' 1 9 DC H4' 4.500 . 6.500 6.336 6.072 6.720 0.220 10 0 "[ . 1]" 1
243 1 9 DC H1' 1 10 DC H4' 4.500 . 6.500 6.407 6.004 6.757 0.257 7 0 "[ . 1]" 1
244 1 10 DC H1' 1 11 DC H4' 4.500 . 6.500 6.493 6.259 6.744 0.244 1 0 "[ . 1]" 1
245 1 11 DC H1' 1 12 DC H4' 4.500 . 6.500 5.407 4.874 6.723 0.223 1 0 "[ . 1]" 1
246 1 13 DG H1' 1 14 DG H4' 4.500 . 6.500 5.337 4.545 6.422 . 0 0 "[ . 1]" 1
247 1 14 DG H1' 1 15 DA H4' 4.500 . 6.500 4.522 4.070 4.945 . 0 0 "[ . 1]" 1
248 1 15 DA H1' 1 16 DT H4' 4.500 . 6.500 6.008 5.569 6.430 . 0 0 "[ . 1]" 1
249 1 16 DT H1' 1 17 DT H4' 4.500 . 6.500 5.541 4.931 5.994 . 0 0 "[ . 1]" 1
250 1 18 DG H1' 1 19 DC H4' 4.500 . 6.500 5.111 4.664 5.543 . 0 0 "[ . 1]" 1
251 1 19 DC H1' 1 20 DT H4' 4.500 . 6.500 5.001 4.421 5.501 . 0 0 "[ . 1]" 1
252 1 4 DA H2'' 1 5 DA H4' 4.000 . 5.000 4.209 3.669 5.033 0.033 1 0 "[ . 1]" 1
253 1 13 DG H2' 1 14 DG H4' 3.200 . 4.000 2.920 2.153 3.856 . 0 0 "[ . 1]" 1
254 1 17 DT H2' 1 18 DG H4' 3.200 . 4.000 2.823 2.374 3.758 . 0 0 "[ . 1]" 1
255 1 3 DC H2' 1 4 DA H4' 4.000 . 5.000 2.753 2.383 3.049 . 0 0 "[ . 1]" 1
256 1 10 DC H2' 1 11 DC H4' 4.500 . 6.500 3.971 3.725 4.715 . 0 0 "[ . 1]" 1
257 1 14 DG H2' 1 15 DA H4' 3.200 . 4.000 2.390 2.016 2.594 . 0 0 "[ . 1]" 1
258 1 18 DG H2' 1 19 DC H4' 3.200 . 4.000 2.691 2.347 2.950 . 0 0 "[ . 1]" 1
259 1 3 DC H3' 1 4 DA H4' 4.000 . 5.000 4.669 4.532 4.823 . 0 0 "[ . 1]" 1
260 1 6 DT H3' 1 7 DC H4' 4.500 . 6.500 4.869 4.399 5.753 . 0 0 "[ . 1]" 1
261 1 16 DT H3' 1 17 DT H4' 4.500 . 6.500 4.834 4.422 5.386 . 0 0 "[ . 1]" 1
262 1 19 DC H3' 1 20 DT H4' 4.000 . 5.000 4.853 4.448 5.010 0.010 8 0 "[ . 1]" 1
263 1 1 DA H8 1 2 DG H5' 4.500 . 6.500 4.903 4.603 5.281 . 0 0 "[ . 1]" 1
264 1 3 DC H6 1 4 DA H5' 3.200 . 4.000 4.016 3.736 4.266 0.266 7 0 "[ . 1]" 1
265 1 4 DA H8 1 5 DA H5' 4.500 . 6.500 4.789 4.181 5.519 . 0 0 "[ . 1]" 1
266 1 5 DA H8 1 6 DT H5' 4.000 . 5.000 5.127 4.917 5.248 0.248 6 0 "[ . 1]" 1
267 1 6 DT H6 1 7 DC H5' 4.000 . 5.000 4.870 4.536 5.130 0.130 8 0 "[ . 1]" 1
268 1 7 DC H6 1 8 DC H5' 4.500 . 6.500 4.340 4.025 4.729 . 0 0 "[ . 1]" 1
269 1 8 DC H6 1 9 DC H5' 4.500 . 6.500 5.660 5.065 6.234 . 0 0 "[ . 1]" 1
270 1 9 DC H6 1 10 DC H5' 4.500 . 6.500 5.224 4.852 5.507 . 0 0 "[ . 1]" 1
271 1 10 DC H6 1 11 DC H5' 4.500 . 6.500 4.292 3.517 6.147 . 0 0 "[ . 1]" 1
272 1 11 DC H6 1 12 DC H5' 4.500 . 6.500 4.850 3.684 6.650 0.150 4 0 "[ . 1]" 1
273 1 13 DG H8 1 14 DG H5' 4.500 . 6.500 5.241 4.527 6.409 . 0 0 "[ . 1]" 1
274 1 14 DG H8 1 15 DA H5' 4.500 . 6.500 4.789 4.165 5.288 . 0 0 "[ . 1]" 1
275 1 16 DT H6 1 17 DT H5' 4.500 . 6.500 4.495 4.158 5.402 . 0 0 "[ . 1]" 1
276 1 17 DT H6 1 18 DG H5' 4.500 . 6.500 4.650 4.345 5.045 . 0 0 "[ . 1]" 1
277 1 18 DG H8 1 19 DC H5' 4.500 . 6.500 4.490 4.102 4.854 . 0 0 "[ . 1]" 1
278 1 19 DC H6 1 20 DT H5' 4.500 . 6.500 4.329 3.937 4.712 . 0 0 "[ . 1]" 1
279 1 1 DA H8 1 2 DG H8 4.500 . 6.500 5.942 5.372 6.558 0.058 7 0 "[ . 1]" 1
280 1 3 DC H6 1 4 DA H8 4.500 . 6.500 5.096 4.725 5.541 . 0 0 "[ . 1]" 1
281 1 4 DA H8 1 5 DA H8 4.500 . 6.500 6.200 5.910 6.578 0.078 7 0 "[ . 1]" 1
282 1 5 DA H8 1 6 DT H6 4.500 . 6.500 4.162 3.813 4.669 . 0 0 "[ . 1]" 1
283 1 9 DC H6 1 10 DC H6 4.500 . 6.500 4.947 4.256 5.587 . 0 0 "[ . 1]" 1
284 1 10 DC H6 1 11 DC H6 4.500 . 6.500 4.383 3.725 5.224 . 0 0 "[ . 1]" 1
285 1 14 DG H8 1 15 DA H8 4.500 . 6.500 6.188 5.640 6.568 0.068 8 0 "[ . 1]" 1
286 1 16 DT H6 1 17 DT H6 4.500 . 6.500 5.992 5.700 6.405 . 0 0 "[ . 1]" 1
287 1 17 DT H6 1 18 DG H8 4.500 . 6.500 5.533 5.015 5.946 . 0 0 "[ . 1]" 1
288 1 18 DG H8 1 19 DC H6 4.500 . 6.500 6.106 5.754 6.437 . 0 0 "[ . 1]" 1
289 1 19 DC H6 1 20 DT H6 4.500 . 6.500 5.798 5.444 6.049 . 0 0 "[ . 1]" 1
290 1 3 DC H5 1 4 DA H8 4.000 . 5.000 3.878 3.359 4.253 . 0 0 "[ . 1]" 1
291 1 8 DC H5 1 9 DC H6 4.500 . 6.500 5.253 4.076 5.847 . 0 0 "[ . 1]" 1
292 1 8 DC H5 1 9 DC H5 4.500 . 6.500 4.276 3.514 5.407 . 0 0 "[ . 1]" 1
293 1 9 DC H5 1 10 DC H6 4.500 . 6.500 5.082 4.415 6.555 0.055 7 0 "[ . 1]" 1
294 1 9 DC H6 1 10 DC H5 4.500 . 6.500 5.165 3.893 5.902 . 0 0 "[ . 1]" 1
295 1 11 DC H5 1 12 DC H6 4.500 . 6.500 4.994 3.876 5.888 . 0 0 "[ . 1]" 1
296 1 1 DA H2 1 2 DG H8 4.000 . 5.000 4.720 3.721 5.025 0.025 5 0 "[ . 1]" 1
297 1 4 DA H2 1 5 DA H8 4.000 . 5.000 5.072 4.904 5.276 0.276 3 0 "[ . 1]" 1
298 1 5 DA H2 1 6 DT H6 4.000 . 5.000 4.986 4.635 5.156 0.156 9 0 "[ . 1]" 1
299 1 1 DA H2 1 20 DT H1' 4.500 . 6.500 5.249 4.652 5.544 . 0 0 "[ . 1]" 1
300 1 4 DA H2 1 17 DT H1' 4.500 . 6.500 5.292 4.913 5.583 . 0 0 "[ . 1]" 1
301 1 5 DA H2 1 16 DT H1' 4.500 . 6.500 5.545 5.095 5.830 . 0 0 "[ . 1]" 1
302 1 6 DT H1' 1 15 DA H2 4.500 . 6.500 5.477 5.145 5.682 . 0 0 "[ . 1]" 1
303 1 4 DA H2 1 18 DG H1' 3.200 . 4.000 3.596 3.133 4.133 0.133 4 0 "[ . 1]" 1
304 1 5 DA H2 1 17 DT H1' 3.200 . 4.000 3.233 2.723 4.078 0.078 1 0 "[ . 1]" 1
305 1 7 DC H1' 1 15 DA H2 3.200 . 4.000 3.267 2.747 3.903 . 0 0 "[ . 1]" 1
306 1 2 DG H1 1 18 DG H1 5.000 . 7.000 5.432 5.012 5.738 . 0 0 "[ . 1]" 1
307 1 17 DT H3 1 18 DG H1 5.000 . 7.000 6.988 6.610 7.287 0.287 6 0 "[ . 1]" 1
308 1 16 DT H3 1 17 DT H3 5.000 . 7.000 6.251 5.829 6.545 . 0 0 "[ . 1]" 1
309 1 6 DT H3 1 16 DT H3 5.000 . 7.000 3.682 3.286 4.267 . 0 0 "[ . 1]" 1
310 1 6 DT H3 1 14 DG H1 5.000 . 7.000 6.929 6.465 7.205 0.205 6 0 "[ . 1]" 1
311 1 5 DA H2 1 16 DT H3 3.000 . 3.800 2.893 2.449 3.295 . 0 0 "[ . 1]" 1
312 1 6 DT H3 1 15 DA H2 3.000 . 3.800 2.787 2.479 3.178 . 0 0 "[ . 1]" 1
313 1 4 DA H2 1 17 DT H3 3.000 . 3.800 2.704 2.287 2.986 . 0 0 "[ . 1]" 1
314 1 15 DA H2 1 16 DT H3 4.000 . 5.000 4.440 3.883 4.985 . 0 0 "[ . 1]" 1
315 1 5 DA H2 1 6 DT H3 5.000 . 7.000 5.493 5.134 5.818 . 0 0 "[ . 1]" 1
316 1 14 DG H1 1 15 DA H2 5.000 . 7.000 5.895 5.267 6.661 . 0 0 "[ . 1]" 1
317 1 1 DA H2 1 2 DG H1 5.000 . 7.000 6.650 6.182 7.209 0.209 5 0 "[ . 1]" 1
318 1 2 DG H1 1 3 DC H6 5.000 . 7.000 4.431 3.744 5.024 . 0 0 "[ . 1]" 1
319 1 17 DT H3 1 18 DG H8 4.000 . 5.000 3.645 3.363 3.899 . 0 0 "[ . 1]" 1
320 1 16 DT H3 1 17 DT H6 3.000 . 3.800 3.722 3.123 4.107 0.307 9 0 "[ . 1]" 1
321 1 6 DT H3 1 7 DC H6 4.000 . 5.000 3.794 3.292 4.535 . 0 0 "[ . 1]" 1
322 1 14 DG H1 1 15 DA H8 5.000 . 7.000 4.027 3.511 4.507 . 0 0 "[ . 1]" 1
323 1 4 DA H8 1 18 DG H1 5.000 . 7.000 3.865 3.420 4.865 . 0 0 "[ . 1]" 1
324 1 8 DC H6 1 14 DG H1 5.000 . 7.000 4.645 3.726 5.694 . 0 0 "[ . 1]" 1
325 1 5 DA H8 1 17 DT H3 5.000 . 7.000 4.440 3.916 5.062 . 0 0 "[ . 1]" 1
326 1 6 DT H6 1 16 DT H3 5.000 . 7.000 5.485 5.314 5.588 . 0 0 "[ . 1]" 1
327 1 6 DT H3 1 16 DT H6 5.000 . 7.000 6.076 5.865 6.431 . 0 0 "[ . 1]" 1
328 1 6 DT H3 1 7 DC H1' 4.000 . 5.000 4.075 3.575 4.447 . 0 0 "[ . 1]" 1
329 1 14 DG H1 1 15 DA H1' 5.000 . 7.000 3.757 3.091 4.857 . 0 0 "[ . 1]" 1
330 1 16 DT H3 1 17 DT H1' 4.000 . 5.000 4.195 3.667 4.701 . 0 0 "[ . 1]" 1
331 1 17 DT H3 1 18 DG H1' 4.000 . 5.000 4.137 3.673 4.955 . 0 0 "[ . 1]" 1
332 1 18 DG H1 1 19 DC H1' 4.000 . 5.000 3.467 2.946 4.241 . 0 0 "[ . 1]" 1
333 1 5 DA H1' 1 17 DT H3 4.000 . 5.000 4.178 3.378 4.674 . 0 0 "[ . 1]" 1
334 1 4 DA H1' 1 18 DG H1 4.000 . 5.000 3.987 3.491 4.525 . 0 0 "[ . 1]" 1
335 1 3 DC H1' 1 18 DG H1 5.000 2.800 7.000 5.193 4.907 5.650 . 0 0 "[ . 1]" 1
336 1 2 DG H1 1 19 DC H1' 5.000 . 7.000 5.243 4.865 5.487 . 0 0 "[ . 1]" 1
337 1 2 DG H1 1 20 DT H1' 5.000 . 7.000 3.664 2.207 4.274 . 0 0 "[ . 1]" 1
338 1 6 DT H1' 1 16 DT H3 4.000 . 5.000 4.710 4.084 5.070 0.070 9 0 "[ . 1]" 1
339 1 6 DT H3 1 16 DT H1' 5.000 . 7.000 5.984 5.235 6.428 . 0 0 "[ . 1]" 1
340 1 8 DC H1' 1 14 DG H1 4.000 . 5.000 4.470 3.584 5.118 0.118 2 0 "[ . 1]" 1
341 1 18 DG H1 1 19 DC H41 5.000 . 7.000 5.500 5.019 5.893 . 0 0 "[ . 1]" 1
342 1 8 DC H41 1 9 DC H5 4.000 . 5.000 4.443 3.328 4.948 . 0 0 "[ . 1]" 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 40
_Distance_constraint_stats_list.Viol_count 95
_Distance_constraint_stats_list.Viol_total 57.207
_Distance_constraint_stats_list.Viol_max 0.181
_Distance_constraint_stats_list.Viol_rms 0.0325
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0143
_Distance_constraint_stats_list.Viol_average_violations_only 0.0602
_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 DA 0.242 0.088 7 0 "[ . 1]"
1 2 DG 1.717 0.181 8 0 "[ . 1]"
1 3 DC 1.136 0.124 4 0 "[ . 1]"
1 4 DA 0.000 0.000 . 0 "[ . 1]"
1 5 DA 0.277 0.086 9 0 "[ . 1]"
1 6 DT 0.257 0.062 8 0 "[ . 1]"
1 7 DC 0.973 0.138 1 0 "[ . 1]"
1 8 DC 1.119 0.126 7 0 "[ . 1]"
1 13 DG 1.119 0.126 7 0 "[ . 1]"
1 14 DG 0.973 0.138 1 0 "[ . 1]"
1 15 DA 0.257 0.062 8 0 "[ . 1]"
1 16 DT 0.277 0.086 9 0 "[ . 1]"
1 17 DT 0.000 0.000 . 0 "[ . 1]"
1 18 DG 1.136 0.124 4 0 "[ . 1]"
1 19 DC 1.717 0.181 8 0 "[ . 1]"
1 20 DT 0.242 0.088 7 0 "[ . 1]"
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 DA N1 1 20 DT N3 2.950 2.750 3.150 2.914 2.849 3.011 . 0 0 "[ . 1]" 2
2 1 1 DA N6 1 20 DT O4 2.830 2.630 3.030 2.924 2.733 3.088 0.058 8 0 "[ . 1]" 2
3 1 1 DA N1 1 20 DT H3 1.930 . 2.130 1.960 1.891 2.077 . 0 0 "[ . 1]" 2
4 1 1 DA Q6 1 20 DT O4 1.820 . 2.020 1.948 1.751 2.108 0.088 7 0 "[ . 1]" 2
5 1 2 DG H1 1 19 DC N3 1.890 . 2.090 1.934 1.797 2.060 . 0 0 "[ . 1]" 2
6 1 2 DG N1 1 19 DC N3 2.910 2.710 3.110 2.910 2.780 3.038 . 0 0 "[ . 1]" 2
7 1 2 DG Q2 1 19 DC O2 2.080 . 2.280 1.889 1.746 2.100 0.134 8 0 "[ . 1]" 2
8 1 2 DG O6 1 19 DC N4 2.720 2.520 2.920 2.912 2.787 3.077 0.157 8 0 "[ . 1]" 2
9 1 2 DG O6 1 19 DC Q4 1.710 . 1.910 1.928 1.793 2.091 0.181 8 0 "[ . 1]" 2
10 1 2 DG N2 1 19 DC O2 3.080 2.880 3.280 2.869 2.739 3.056 0.141 8 0 "[ . 1]" 2
11 1 3 DC N3 1 18 DG H1 1.890 . 2.090 1.945 1.868 2.097 0.007 7 0 "[ . 1]" 2
12 1 3 DC N3 1 18 DG N1 2.910 2.710 3.110 2.918 2.856 2.980 . 0 0 "[ . 1]" 2
13 1 3 DC O2 1 18 DG Q2 2.080 . 2.280 1.944 1.781 2.134 0.099 6 0 "[ . 1]" 2
14 1 3 DC N4 1 18 DG O6 2.720 2.520 2.920 2.910 2.787 3.044 0.124 4 0 "[ . 1]" 2
15 1 3 DC Q4 1 18 DG O6 1.710 . 1.910 1.923 1.791 2.034 0.124 4 0 "[ . 1]" 2
16 1 3 DC O2 1 18 DG N2 3.080 2.880 3.280 2.932 2.765 3.129 0.115 6 0 "[ . 1]" 2
17 1 4 DA N1 1 17 DT N3 2.950 2.750 3.150 2.907 2.755 3.011 . 0 0 "[ . 1]" 2
18 1 4 DA N6 1 17 DT O4 2.830 2.630 3.030 2.876 2.721 3.012 . 0 0 "[ . 1]" 2
19 1 4 DA N1 1 17 DT H3 1.930 . 2.130 1.920 1.764 2.012 . 0 0 "[ . 1]" 2
20 1 4 DA Q6 1 17 DT O4 1.820 . 2.020 1.889 1.741 2.017 . 0 0 "[ . 1]" 2
21 1 5 DA N1 1 16 DT N3 2.950 2.750 3.150 3.051 2.859 3.154 0.004 10 0 "[ . 1]" 2
22 1 5 DA N6 1 16 DT O4 2.830 2.630 3.030 2.976 2.858 3.078 0.048 9 0 "[ . 1]" 2
23 1 5 DA N1 1 16 DT H3 1.930 . 2.130 2.068 1.868 2.157 0.027 8 0 "[ . 1]" 2
24 1 5 DA Q6 1 16 DT O4 1.820 . 2.020 1.975 1.850 2.106 0.086 9 0 "[ . 1]" 2
25 1 6 DT N3 1 15 DA N1 2.950 2.750 3.150 2.944 2.860 3.152 0.002 2 0 "[ . 1]" 2
26 1 6 DT O4 1 15 DA N6 2.830 2.630 3.030 2.952 2.806 3.085 0.055 8 0 "[ . 1]" 2
27 1 6 DT H3 1 15 DA N1 1.930 . 2.130 1.952 1.853 2.149 0.019 2 0 "[ . 1]" 2
28 1 6 DT O4 1 15 DA Q6 1.820 . 2.020 1.973 1.830 2.082 0.062 8 0 "[ . 1]" 2
29 1 7 DC N3 1 14 DG H1 1.890 . 2.090 1.887 1.811 1.984 . 0 0 "[ . 1]" 2
30 1 7 DC N3 1 14 DG N1 2.910 2.710 3.110 2.874 2.807 2.965 . 0 0 "[ . 1]" 2
31 1 7 DC O2 1 14 DG Q2 2.080 . 2.280 1.953 1.790 2.223 0.090 10 0 "[ . 1]" 2
32 1 7 DC N4 1 14 DG O6 2.720 2.520 2.920 2.860 2.704 3.037 0.117 1 0 "[ . 1]" 2
33 1 7 DC Q4 1 14 DG O6 1.710 . 1.910 1.875 1.716 2.048 0.138 1 0 "[ . 1]" 2
34 1 7 DC O2 1 14 DG N2 3.080 2.880 3.280 2.914 2.767 3.114 0.113 10 0 "[ . 1]" 2
35 1 8 DC N3 1 13 DG H1 1.890 . 2.090 1.998 1.885 2.124 0.034 5 0 "[ . 1]" 2
36 1 8 DC N3 1 13 DG N1 2.910 2.710 3.110 2.973 2.869 3.096 . 0 0 "[ . 1]" 2
37 1 8 DC O2 1 13 DG Q2 2.080 . 2.280 1.944 1.785 2.197 0.095 9 0 "[ . 1]" 2
38 1 8 DC N4 1 13 DG O6 2.720 2.520 2.920 2.876 2.673 2.990 0.070 6 0 "[ . 1]" 2
39 1 8 DC Q4 1 13 DG O6 1.710 . 1.910 1.908 1.692 2.036 0.126 7 0 "[ . 1]" 2
40 1 8 DC O2 1 13 DG N2 3.080 2.880 3.280 2.914 2.785 3.112 0.095 9 0 "[ . 1]" 2
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