NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
386684 |
1lwa   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1lwa
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 333
_Distance_constraint_stats_list.Viol_count 1392
_Distance_constraint_stats_list.Viol_total 1552.256
_Distance_constraint_stats_list.Viol_max 0.282
_Distance_constraint_stats_list.Viol_rms 0.0334
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0117
_Distance_constraint_stats_list.Viol_average_violations_only 0.0558
_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 DG 0.191 0.025 16 0 "[ . 1 . 2]"
1 2 DG 0.236 0.025 16 0 "[ . 1 . 2]"
1 3 DG 2.283 0.067 1 0 "[ . 1 . 2]"
1 4 DG 0.894 0.067 1 0 "[ . 1 . 2]"
1 5 DT 4.700 0.106 9 0 "[ . 1 . 2]"
1 6 DG 5.356 0.147 5 0 "[ . 1 . 2]"
1 7 DA 1.333 0.066 2 0 "[ . 1 . 2]"
1 8 DT 8.467 0.259 15 0 "[ . 1 . 2]"
1 9 DT 4.355 0.188 11 0 "[ . 1 . 2]"
1 10 DG 2.630 0.128 9 0 "[ . 1 . 2]"
1 11 DT 3.917 0.128 9 0 "[ . 1 . 2]"
1 12 DT 10.558 0.188 9 0 "[ . 1 . 2]"
1 13 DC 9.960 0.188 9 0 "[ . 1 . 2]"
1 14 DA 1.570 0.056 3 0 "[ . 1 . 2]"
1 15 DG 0.679 0.056 3 0 "[ . 1 . 2]"
2 1 DC 1.479 0.065 4 0 "[ . 1 . 2]"
2 2 DT 2.862 0.106 19 0 "[ . 1 . 2]"
2 3 DG 3.371 0.106 19 0 "[ . 1 . 2]"
2 4 DA 0.133 0.029 3 0 "[ . 1 . 2]"
2 5 DA 2.114 0.119 8 0 "[ . 1 . 2]"
2 6 DC 4.338 0.119 8 0 "[ . 1 . 2]"
2 7 DA 3.159 0.129 9 0 "[ . 1 . 2]"
2 8 DA 2.096 0.107 9 0 "[ . 1 . 2]"
2 9 DT 10.207 0.282 7 0 "[ . 1 . 2]"
2 10 DC 7.096 0.139 11 0 "[ . 1 . 2]"
2 11 DA 2.484 0.098 9 0 "[ . 1 . 2]"
2 12 DC 2.623 0.098 9 0 "[ . 1 . 2]"
2 13 DC 7.867 0.173 4 0 "[ . 1 . 2]"
2 14 DC 2.772 0.090 16 0 "[ . 1 . 2]"
2 15 DC 0.728 0.087 2 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 2 2 DT H3 2 3 DG H1 3.400 . 5.000 4.841 4.663 4.973 . 0 0 "[ . 1 . 2]" 1
2 1 14 DA H2 2 2 DT H3 3.400 . 5.000 3.425 3.351 3.471 . 0 0 "[ . 1 . 2]" 1
3 1 13 DC H41 2 2 DT H3 3.400 . 5.000 4.989 4.808 5.042 0.042 8 0 "[ . 1 . 2]" 1
4 1 12 DT H3 2 3 DG H1 3.400 . 5.000 3.389 3.135 3.687 . 0 0 "[ . 1 . 2]" 1
5 1 10 DG H1 1 11 DT H3 3.400 . 5.000 3.762 3.518 4.023 . 0 0 "[ . 1 . 2]" 1
6 1 12 DT H3 1 13 DC H41 3.400 . 5.000 3.878 3.399 4.173 . 0 0 "[ . 1 . 2]" 1
7 1 12 DT H3 2 4 DA H2 3.400 . 5.000 2.955 2.223 3.357 . 0 0 "[ . 1 . 2]" 1
8 1 12 DT H3 2 5 DA H2 3.400 . 5.000 3.851 3.270 4.250 . 0 0 "[ . 1 . 2]" 1
9 1 11 DT H3 2 5 DA H2 3.400 . 5.000 2.337 2.220 2.881 . 0 0 "[ . 1 . 2]" 1
10 1 11 DT H3 2 4 DA H2 3.400 . 5.000 4.928 4.816 4.983 . 0 0 "[ . 1 . 2]" 1
11 1 9 DT H3 1 10 DG H1 3.400 . 5.000 4.274 4.048 4.595 . 0 0 "[ . 1 . 2]" 1
12 2 9 DT H3 2 10 DC H5 3.400 . 5.000 4.731 4.382 4.969 . 0 0 "[ . 1 . 2]" 1
13 1 8 DT H3 1 9 DT H3 3.400 . 5.000 3.006 2.745 3.300 . 0 0 "[ . 1 . 2]" 1
14 1 7 DA H2 2 9 DT H3 3.400 . 5.000 3.330 2.501 3.427 . 0 0 "[ . 1 . 2]" 1
15 1 14 DA H61 2 2 DT H3 3.400 . 5.000 1.811 1.784 1.923 0.016 11 0 "[ . 1 . 2]" 1
16 1 14 DA H62 2 2 DT H3 3.400 . 5.000 3.424 3.379 3.535 . 0 0 "[ . 1 . 2]" 1
17 1 10 DG H1 2 6 DC H42 3.400 . 5.000 3.490 3.382 3.828 . 0 0 "[ . 1 . 2]" 1
18 1 10 DG H1 2 6 DC H41 3.400 . 5.000 1.883 1.768 2.252 0.032 16 0 "[ . 1 . 2]" 1
19 1 10 DG H1 1 10 DG H22 3.400 . 5.000 3.485 3.467 3.492 . 0 0 "[ . 1 . 2]" 1
20 1 10 DG H1 1 10 DG H21 3.400 . 5.000 2.233 2.217 2.245 . 0 0 "[ . 1 . 2]" 1
21 2 6 DC H41 2 6 DC H42 3.400 . 5.000 1.759 1.749 1.766 0.051 16 0 "[ . 1 . 2]" 1
22 1 6 DG H1 2 10 DC H42 3.400 . 5.000 4.212 3.989 4.429 . 0 0 "[ . 1 . 2]" 1
23 1 6 DG H1 2 10 DC H41 3.400 . 5.000 2.721 2.436 3.000 . 0 0 "[ . 1 . 2]" 1
24 1 6 DG H1 1 6 DG H22 3.400 . 5.000 3.529 3.512 3.544 . 0 0 "[ . 1 . 2]" 1
25 1 6 DG H1 1 6 DG H21 3.400 . 5.000 2.276 2.253 2.304 . 0 0 "[ . 1 . 2]" 1
26 1 13 DC H41 1 13 DC H42 3.400 . 5.000 1.767 1.760 1.773 0.040 8 0 "[ . 1 . 2]" 1
27 2 10 DC H41 2 10 DC H42 3.400 . 5.000 1.768 1.764 1.774 0.036 15 0 "[ . 1 . 2]" 1
28 1 13 DC H42 2 3 DG H1 3.400 . 5.000 4.011 3.972 4.058 . 0 0 "[ . 1 . 2]" 1
29 1 13 DC H41 2 3 DG H1 3.400 . 5.000 2.485 2.431 2.553 . 0 0 "[ . 1 . 2]" 1
30 2 3 DG H1 2 3 DG H22 3.400 . 5.000 3.499 3.483 3.513 . 0 0 "[ . 1 . 2]" 1
31 2 3 DG H1 2 3 DG H21 3.400 . 5.000 2.234 2.209 2.253 . 0 0 "[ . 1 . 2]" 1
32 1 14 DA H61 1 14 DA H62 3.400 . 5.000 1.761 1.759 1.763 0.041 11 0 "[ . 1 . 2]" 1
33 2 12 DC H41 2 12 DC H42 3.400 . 5.000 1.765 1.761 1.767 0.039 9 0 "[ . 1 . 2]" 1
34 1 4 DG H1 2 12 DC H42 3.400 . 5.000 3.602 3.394 3.741 . 0 0 "[ . 1 . 2]" 1
35 1 4 DG H1 2 12 DC H41 3.400 . 5.000 2.002 1.786 2.152 0.014 9 0 "[ . 1 . 2]" 1
36 1 4 DG H1 1 4 DG H21 3.400 . 5.000 2.218 2.204 2.225 . 0 0 "[ . 1 . 2]" 1
37 1 4 DG H1 1 4 DG H22 3.400 . 5.000 3.482 3.475 3.486 . 0 0 "[ . 1 . 2]" 1
38 2 13 DC H41 2 13 DC H42 3.400 . 5.000 1.764 1.758 1.767 0.042 8 0 "[ . 1 . 2]" 1
39 1 3 DG H1 2 13 DC H42 3.400 . 5.000 4.084 4.044 4.117 . 0 0 "[ . 1 . 2]" 1
40 1 3 DG H1 2 13 DC H41 3.400 . 5.000 2.586 2.536 2.634 . 0 0 "[ . 1 . 2]" 1
41 1 3 DG H1 1 3 DG H22 3.400 . 5.000 3.495 3.468 3.514 . 0 0 "[ . 1 . 2]" 1
42 1 3 DG H1 1 3 DG H21 3.400 . 5.000 2.222 2.190 2.246 . 0 0 "[ . 1 . 2]" 1
43 1 2 DG H1 2 14 DC H41 3.400 . 5.000 1.910 1.785 2.237 0.015 10 0 "[ . 1 . 2]" 1
44 1 2 DG H1 2 14 DC H42 3.400 . 5.000 3.511 3.381 3.809 . 0 0 "[ . 1 . 2]" 1
45 2 14 DC H41 2 14 DC H42 3.400 . 5.000 1.765 1.762 1.767 0.038 3 0 "[ . 1 . 2]" 1
46 2 1 DC H41 2 1 DC H42 3.400 . 5.000 1.767 1.763 1.773 0.037 5 0 "[ . 1 . 2]" 1
47 1 15 DG H1 2 1 DC H42 3.400 . 5.000 4.010 3.408 4.627 . 0 0 "[ . 1 . 2]" 1
48 1 15 DG H1 2 1 DC H41 3.400 . 5.000 2.469 1.792 3.209 0.008 5 0 "[ . 1 . 2]" 1
49 1 9 DT H3 2 7 DA H2 3.400 . 5.000 3.238 2.723 3.352 . 0 0 "[ . 1 . 2]" 1
50 1 8 DT H3 2 8 DA H2 3.400 . 5.000 3.056 2.486 3.387 . 0 0 "[ . 1 . 2]" 1
51 1 8 DT H3 2 8 DA H62 3.400 . 5.000 3.836 3.402 4.466 . 0 0 "[ . 1 . 2]" 1
52 1 8 DT H3 2 8 DA H61 3.400 . 5.000 2.277 1.797 3.015 0.003 9 0 "[ . 1 . 2]" 1
53 1 12 DT H3 2 4 DA H61 3.400 . 5.000 2.334 1.783 3.223 0.017 17 0 "[ . 1 . 2]" 1
54 1 11 DT H3 2 5 DA H61 3.400 . 5.000 3.276 2.667 3.413 . 0 0 "[ . 1 . 2]" 1
55 1 12 DT H3 2 4 DA H62 3.400 . 5.000 3.867 3.342 4.631 . 0 0 "[ . 1 . 2]" 1
56 1 11 DT H3 2 5 DA H62 3.400 . 5.000 4.657 4.171 4.758 . 0 0 "[ . 1 . 2]" 1
57 1 7 DA H62 2 9 DT H3 3.400 . 5.000 3.414 3.306 4.404 . 0 0 "[ . 1 . 2]" 1
58 1 7 DA H61 2 9 DT H3 3.400 . 5.000 1.859 1.765 2.999 0.035 4 0 "[ . 1 . 2]" 1
59 1 9 DT H3 2 7 DA H61 3.400 . 5.000 1.904 1.781 2.587 0.019 8 0 "[ . 1 . 2]" 1
60 1 9 DT H3 2 7 DA H62 3.400 . 5.000 3.486 3.356 4.114 . 0 0 "[ . 1 . 2]" 1
61 1 5 DT H3 2 11 DA H2 3.400 . 5.000 3.263 3.093 3.382 . 0 0 "[ . 1 . 2]" 1
62 1 5 DT H3 1 6 DG H1 3.400 . 5.000 4.876 4.590 5.014 0.014 9 0 "[ . 1 . 2]" 1
63 1 4 DG H1 1 5 DT H3 3.400 . 5.000 4.038 3.605 4.463 . 0 0 "[ . 1 . 2]" 1
64 1 3 DG H1 1 4 DG H1 3.400 . 5.000 4.410 3.937 4.745 . 0 0 "[ . 1 . 2]" 1
65 2 3 DG H1 2 4 DA H2 3.400 . 5.000 4.571 4.074 4.933 . 0 0 "[ . 1 . 2]" 1
66 1 6 DG H1 1 7 DA H2 3.400 . 5.000 4.368 4.049 4.638 . 0 0 "[ . 1 . 2]" 1
67 1 13 DC H5 2 3 DG H1 3.400 . 5.000 5.019 5.003 5.040 0.040 20 0 "[ . 1 . 2]" 1
68 1 10 DG H1 2 6 DC H5 3.400 . 5.000 4.728 4.651 4.919 . 0 0 "[ . 1 . 2]" 1
69 1 10 DG H1 2 7 DA H2 3.400 . 5.000 4.637 4.153 4.957 . 0 0 "[ . 1 . 2]" 1
70 1 10 DG H1 2 5 DA H2 3.400 . 5.000 4.873 4.646 5.007 0.007 20 0 "[ . 1 . 2]" 1
71 2 9 DT H3 2 10 DC H41 3.400 . 5.000 3.705 3.377 4.197 . 0 0 "[ . 1 . 2]" 1
72 1 4 DG H1 2 13 DC H42 3.400 . 5.000 4.490 3.963 4.963 . 0 0 "[ . 1 . 2]" 1
73 1 4 DG H1 2 11 DA H2 3.400 . 5.000 4.781 4.521 4.948 . 0 0 "[ . 1 . 2]" 1
74 1 4 DG H1 2 13 DC H41 3.400 . 5.000 4.268 3.636 4.784 . 0 0 "[ . 1 . 2]" 1
75 1 11 DT H3 2 6 DC H41 3.400 . 5.000 4.941 4.875 4.975 . 0 0 "[ . 1 . 2]" 1
76 1 9 DT H3 2 6 DC H41 3.400 . 5.000 4.005 3.862 4.158 . 0 0 "[ . 1 . 2]" 1
77 1 8 DT H3 2 7 DA H2 3.400 . 5.000 4.965 4.914 5.002 0.002 4 0 "[ . 1 . 2]" 1
78 1 9 DT H3 2 6 DC H42 3.400 . 5.000 5.030 4.967 5.072 0.072 16 0 "[ . 1 . 2]" 1
79 1 6 DG H1 2 10 DC H5 3.400 . 5.000 5.098 5.034 5.139 0.139 11 0 "[ . 1 . 2]" 1
80 1 13 DC H1' 2 3 DG H1 3.400 . 5.000 5.038 5.015 5.069 0.069 9 0 "[ . 1 . 2]" 1
81 1 3 DG H1 2 13 DC H1' 3.400 . 5.000 5.008 4.986 5.025 0.025 15 0 "[ . 1 . 2]" 1
82 1 3 DG H1 2 13 DC H5 3.400 . 5.000 5.035 5.022 5.051 0.051 4 0 "[ . 1 . 2]" 1
83 1 10 DG H1 2 5 DA H62 3.400 . 5.000 4.129 3.906 4.584 . 0 0 "[ . 1 . 2]" 1
84 1 7 DA H61 1 8 DT H3 3.400 . 5.000 4.466 4.298 4.594 . 0 0 "[ . 1 . 2]" 1
85 1 4 DG H1 2 12 DC H5 3.400 . 5.000 4.836 4.695 4.922 . 0 0 "[ . 1 . 2]" 1
86 1 2 DG H1 2 14 DC H5 3.400 . 5.000 4.777 4.680 4.959 . 0 0 "[ . 1 . 2]" 1
87 2 8 DA H62 2 9 DT H3 3.400 . 5.000 4.498 4.191 4.780 . 0 0 "[ . 1 . 2]" 1
88 1 7 DA H62 1 8 DT H3 3.400 . 5.000 4.978 4.888 5.031 0.031 19 0 "[ . 1 . 2]" 1
89 1 3 DG H21 1 3 DG H22 3.400 . 5.000 1.765 1.762 1.767 0.038 1 0 "[ . 1 . 2]" 1
90 1 9 DT H1' 1 9 DT H2'' 2.400 . 3.000 2.140 2.120 2.166 . 0 0 "[ . 1 . 2]" 1
91 2 10 DC H5 2 10 DC H6 2.400 . 3.000 2.488 2.465 2.514 . 0 0 "[ . 1 . 2]" 1
92 2 10 DC H1' 2 10 DC H6 3.625 3.000 4.250 3.702 3.690 3.715 . 0 0 "[ . 1 . 2]" 1
93 2 10 DC H3' 2 10 DC H6 3.625 3.000 4.250 3.838 3.762 3.925 . 0 0 "[ . 1 . 2]" 1
94 2 10 DC H2'' 2 10 DC H6 3.625 3.000 4.250 3.688 3.660 3.725 . 0 0 "[ . 1 . 2]" 1
95 2 9 DT H2' 2 10 DC H6 2.400 . 3.000 2.979 2.909 3.017 0.017 7 0 "[ . 1 . 2]" 1
96 2 9 DT H2'' 2 10 DC H6 2.400 . 3.000 2.002 1.953 2.043 . 0 0 "[ . 1 . 2]" 1
97 2 10 DC H2' 2 10 DC H6 2.400 . 3.000 2.171 2.144 2.202 . 0 0 "[ . 1 . 2]" 1
98 2 10 DC H4' 2 10 DC H6 3.625 3.000 4.250 4.297 4.267 4.313 0.063 9 0 "[ . 1 . 2]" 1
99 1 8 DT H2'' 1 8 DT H6 2.400 . 3.000 3.103 3.082 3.126 0.126 9 0 "[ . 1 . 2]" 1
100 1 7 DA H2' 1 7 DA H8 2.400 . 3.000 2.140 2.123 2.158 . 0 0 "[ . 1 . 2]" 1
101 1 6 DG H2' 1 7 DA H8 3.625 3.000 4.250 3.640 3.314 3.894 . 0 0 "[ . 1 . 2]" 1
102 1 6 DG H5' 1 6 DG H8 3.625 3.000 4.250 4.371 4.354 4.397 0.147 5 0 "[ . 1 . 2]" 1
103 1 12 DT H1' 1 12 DT H6 3.625 3.000 4.250 3.605 3.577 3.629 . 0 0 "[ . 1 . 2]" 1
104 1 11 DT H1' 1 12 DT H6 3.625 3.000 4.250 3.703 3.391 3.824 . 0 0 "[ . 1 . 2]" 1
105 1 10 DG H1' 1 10 DG H8 3.625 3.000 4.250 3.866 3.835 3.887 . 0 0 "[ . 1 . 2]" 1
106 1 9 DT H4' 1 9 DT H6 3.625 3.000 4.250 4.077 3.996 4.140 . 0 0 "[ . 1 . 2]" 1
107 1 11 DT H3' 1 12 DT H6 4.875 4.250 5.500 4.531 4.364 4.742 . 0 0 "[ . 1 . 2]" 1
108 1 12 DT H4' 1 12 DT H6 3.625 3.000 4.250 4.329 4.309 4.342 0.092 20 0 "[ . 1 . 2]" 1
109 1 5 DT H6 1 5 DT M7 2.400 . 3.000 2.376 2.348 2.412 . 0 0 "[ . 1 . 2]" 1
110 1 5 DT H2' 1 5 DT H6 2.400 . 3.000 2.137 2.115 2.159 . 0 0 "[ . 1 . 2]" 1
111 2 5 DA H2'' 2 6 DC H6 2.400 . 3.000 2.426 2.366 2.514 . 0 0 "[ . 1 . 2]" 1
112 1 9 DT H2'' 1 9 DT H6 2.400 . 3.000 3.152 3.111 3.188 0.188 11 0 "[ . 1 . 2]" 1
113 1 8 DT H2'' 1 9 DT H6 2.400 . 3.000 2.164 2.132 2.201 . 0 0 "[ . 1 . 2]" 1
114 2 12 DC H2' 2 12 DC H6 2.400 . 3.000 2.647 2.324 2.984 . 0 0 "[ . 1 . 2]" 1
115 1 10 DG H2' 1 10 DG H8 2.400 . 3.000 2.199 2.151 2.244 . 0 0 "[ . 1 . 2]" 1
116 1 9 DT H2'' 1 10 DG H8 2.400 . 3.000 2.301 2.226 2.390 . 0 0 "[ . 1 . 2]" 1
117 1 11 DT H2'' 1 12 DT H6 2.400 . 3.000 2.141 2.096 2.201 . 0 0 "[ . 1 . 2]" 1
118 1 11 DT H2' 1 12 DT H6 2.400 . 3.000 2.965 2.729 3.106 0.106 16 0 "[ . 1 . 2]" 1
119 1 12 DT H2' 1 12 DT H6 2.400 . 3.000 2.056 2.025 2.078 . 0 0 "[ . 1 . 2]" 1
120 1 12 DT H2' 1 13 DC H6 2.400 . 3.000 3.174 3.144 3.188 0.188 9 0 "[ . 1 . 2]" 1
121 1 12 DT H2'' 1 13 DC H6 2.400 . 3.000 2.172 2.136 2.203 . 0 0 "[ . 1 . 2]" 1
122 2 8 DA H2'' 2 8 DA H8 5.000 . 5.500 3.658 3.620 3.685 . 0 0 "[ . 1 . 2]" 1
123 2 7 DA H2' 2 7 DA H8 2.400 . 3.000 1.970 1.917 2.024 . 0 0 "[ . 1 . 2]" 1
124 2 7 DA H2'' 2 7 DA H8 2.400 . 3.000 2.141 2.110 2.185 . 0 0 "[ . 1 . 2]" 1
125 2 7 DA H2' 2 8 DA H8 5.000 . 5.500 3.636 3.532 3.779 . 0 0 "[ . 1 . 2]" 1
126 2 7 DA H2'' 2 8 DA H8 2.400 . 3.000 2.161 2.127 2.209 . 0 0 "[ . 1 . 2]" 1
127 2 3 DG H2' 2 4 DA H8 3.625 3.000 4.250 3.898 3.705 4.090 . 0 0 "[ . 1 . 2]" 1
128 2 14 DC H2'' 2 14 DC H6 3.625 3.000 4.250 3.778 3.698 3.939 . 0 0 "[ . 1 . 2]" 1
129 2 13 DC H2'' 2 14 DC H6 2.400 . 3.000 2.330 2.145 2.680 . 0 0 "[ . 1 . 2]" 1
130 2 13 DC H2'' 2 13 DC H6 3.625 3.000 4.250 3.953 3.801 4.115 . 0 0 "[ . 1 . 2]" 1
131 2 12 DC H2'' 2 13 DC H6 2.400 . 3.000 2.511 2.130 2.993 . 0 0 "[ . 1 . 2]" 1
132 2 12 DC H2' 2 13 DC H6 2.400 . 3.000 2.401 2.219 2.693 . 0 0 "[ . 1 . 2]" 1
133 1 4 DG H2' 1 4 DG H8 2.400 . 3.000 2.616 2.577 2.666 . 0 0 "[ . 1 . 2]" 1
134 1 6 DG H2' 1 6 DG H8 2.400 . 3.000 2.230 2.190 2.262 . 0 0 "[ . 1 . 2]" 1
135 2 3 DG H2' 2 3 DG H8 2.400 . 3.000 2.507 2.443 2.560 . 0 0 "[ . 1 . 2]" 1
136 2 4 DA H2'' 2 4 DA H8 3.625 3.000 4.250 3.806 3.742 3.869 . 0 0 "[ . 1 . 2]" 1
137 2 4 DA H2' 2 4 DA H8 2.400 . 3.000 2.250 2.184 2.316 . 0 0 "[ . 1 . 2]" 1
138 2 3 DG H2'' 2 4 DA H8 2.400 . 3.000 2.278 2.203 2.387 . 0 0 "[ . 1 . 2]" 1
139 2 2 DT H2' 2 2 DT H6 2.400 . 3.000 2.121 2.098 2.145 . 0 0 "[ . 1 . 2]" 1
140 2 1 DC H2' 2 2 DT H6 2.400 . 3.000 3.003 2.894 3.065 0.065 4 0 "[ . 1 . 2]" 1
141 2 1 DC H2'' 2 1 DC H6 3.625 3.000 4.250 4.035 4.012 4.085 . 0 0 "[ . 1 . 2]" 1
142 1 6 DG H1' 1 6 DG H2' 2.400 . 3.000 2.955 2.946 2.964 . 0 0 "[ . 1 . 2]" 1
143 1 13 DC H1' 1 13 DC H2'' 2.400 . 3.000 2.629 2.600 2.672 . 0 0 "[ . 1 . 2]" 1
144 2 6 DC H1' 2 6 DC H2'' 2.400 . 3.000 2.281 2.235 2.430 . 0 0 "[ . 1 . 2]" 1
145 2 10 DC H1' 2 10 DC H2' 2.400 . 3.000 3.020 3.011 3.036 0.036 13 0 "[ . 1 . 2]" 1
146 2 3 DG H1' 2 3 DG H2' 2.400 . 3.000 3.024 3.012 3.032 0.032 14 0 "[ . 1 . 2]" 1
147 1 8 DT H1' 1 8 DT H2'' 2.400 . 3.000 2.219 2.188 2.244 . 0 0 "[ . 1 . 2]" 1
148 2 7 DA H1' 2 7 DA H2' 2.400 . 3.000 3.012 2.998 3.037 0.037 2 0 "[ . 1 . 2]" 1
149 2 7 DA H1' 2 7 DA H2'' 2.400 . 3.000 2.394 2.367 2.444 . 0 0 "[ . 1 . 2]" 1
150 2 13 DC H1' 2 13 DC H2'' 2.400 . 3.000 2.441 2.410 2.486 . 0 0 "[ . 1 . 2]" 1
151 2 9 DT H1' 2 9 DT H2'' 2.400 . 3.000 2.290 2.265 2.311 . 0 0 "[ . 1 . 2]" 1
152 2 11 DA H1' 2 11 DA H2'' 2.400 . 3.000 2.309 2.201 2.366 . 0 0 "[ . 1 . 2]" 1
153 2 4 DA H1' 2 4 DA H2'' 2.400 . 3.000 2.218 2.197 2.236 . 0 0 "[ . 1 . 2]" 1
154 2 4 DA H1' 2 4 DA H2' 2.400 . 3.000 2.957 2.945 2.984 . 0 0 "[ . 1 . 2]" 1
155 2 5 DA H1' 2 5 DA H2' 2.400 . 3.000 2.962 2.945 2.980 . 0 0 "[ . 1 . 2]" 1
156 1 12 DT H1' 1 12 DT H2'' 2.400 . 3.000 2.376 2.357 2.396 . 0 0 "[ . 1 . 2]" 1
157 1 11 DT H1' 1 11 DT H2' 2.400 . 3.000 2.913 2.901 2.934 . 0 0 "[ . 1 . 2]" 1
158 1 12 DT H2'' 1 13 DC H5 2.400 . 3.000 3.152 3.134 3.176 0.176 7 0 "[ . 1 . 2]" 1
159 2 14 DC H2' 2 15 DC H6 2.400 . 3.000 2.967 2.669 3.042 0.042 1 0 "[ . 1 . 2]" 1
160 2 15 DC H2' 2 15 DC H6 2.400 . 3.000 2.412 2.149 2.845 . 0 0 "[ . 1 . 2]" 1
161 2 9 DT H2' 2 10 DC H5 2.400 . 3.000 2.392 2.331 2.489 . 0 0 "[ . 1 . 2]" 1
162 2 13 DC H2'' 2 14 DC H5 3.625 3.000 4.250 3.560 3.122 4.152 . 0 0 "[ . 1 . 2]" 1
163 1 15 DG H1' 1 15 DG H2' 2.400 . 3.000 2.962 2.938 2.976 . 0 0 "[ . 1 . 2]" 1
164 2 6 DC H1' 2 6 DC H4' 2.400 . 3.000 2.881 2.846 2.914 . 0 0 "[ . 1 . 2]" 1
165 1 13 DC H1' 1 14 DA H5' 3.625 3.000 4.250 3.215 3.121 3.295 . 0 0 "[ . 1 . 2]" 1
166 1 1 DG H1' 1 2 DG H5' 3.625 3.000 4.250 3.396 2.996 3.779 0.004 5 0 "[ . 1 . 2]" 1
167 1 1 DG H1' 1 2 DG H4' 3.625 3.000 4.250 4.199 3.857 4.275 0.025 16 0 "[ . 1 . 2]" 1
168 1 5 DT H1' 1 6 DG H5' 2.400 . 3.000 2.190 2.147 2.270 . 0 0 "[ . 1 . 2]" 1
169 1 5 DT H1' 1 5 DT H4' 2.400 . 3.000 3.005 2.974 3.032 0.032 10 0 "[ . 1 . 2]" 1
170 1 3 DG H1' 1 4 DG H5' 2.400 . 3.000 2.868 2.600 2.974 . 0 0 "[ . 1 . 2]" 1
171 2 9 DT H1' 2 9 DT Q5' 5.000 . 5.500 4.212 4.153 4.251 . 0 0 "[ . 1 . 2]" 1
172 2 11 DA H1' 2 12 DC Q5' 2.400 . 3.000 2.652 2.315 2.952 . 0 0 "[ . 1 . 2]" 1
173 2 11 DA H1' 2 12 DC H4' 5.000 . 5.500 3.778 3.627 4.015 . 0 0 "[ . 1 . 2]" 1
174 1 12 DT H1' 1 12 DT H4' 2.400 . 3.000 2.902 2.834 2.990 . 0 0 "[ . 1 . 2]" 1
175 1 12 DT H1' 1 12 DT H5' 5.000 . 5.500 4.664 4.614 4.695 . 0 0 "[ . 1 . 2]" 1
176 1 9 DT H1' 1 9 DT H5' 3.625 3.000 4.250 3.508 3.154 3.778 . 0 0 "[ . 1 . 2]" 1
177 1 9 DT H1' 1 9 DT H4' 2.400 . 3.000 3.010 2.985 3.031 0.031 7 0 "[ . 1 . 2]" 1
178 2 7 DA H1' 2 8 DA H5'' 3.625 3.000 4.250 4.230 4.182 4.268 0.018 7 0 "[ . 1 . 2]" 1
179 2 4 DA H1' 2 5 DA Q5' 5.000 . 5.500 3.445 3.239 3.593 . 0 0 "[ . 1 . 2]" 1
180 1 10 DG H1' 1 10 DG H4' 2.400 . 3.000 3.035 3.008 3.071 0.071 7 0 "[ . 1 . 2]" 1
181 1 4 DG H1' 1 4 DG H4' 2.400 . 3.000 2.884 2.832 2.958 . 0 0 "[ . 1 . 2]" 1
182 1 4 DG H1' 1 4 DG Q5' 5.000 . 5.500 3.897 3.819 3.972 . 0 0 "[ . 1 . 2]" 1
183 2 1 DC H1' 2 1 DC H4' 2.400 . 3.000 3.017 3.002 3.032 0.032 16 0 "[ . 1 . 2]" 1
184 1 11 DT H1' 1 11 DT H4' 2.400 . 3.000 2.901 2.822 2.963 . 0 0 "[ . 1 . 2]" 1
185 1 11 DT H1' 1 12 DT H5' 3.625 3.000 4.250 2.906 2.891 2.931 0.109 17 0 "[ . 1 . 2]" 1
186 2 5 DA H1' 2 5 DA H4' 2.400 . 3.000 2.971 2.939 3.000 0.000 11 0 "[ . 1 . 2]" 1
187 1 14 DA H1' 1 15 DG H5' 2.400 . 3.000 3.034 3.012 3.056 0.056 3 0 "[ . 1 . 2]" 1
188 1 15 DG H1' 1 15 DG H4' 2.400 . 3.000 2.888 2.810 2.947 . 0 0 "[ . 1 . 2]" 1
189 2 8 DA H1' 2 8 DA H5'' 5.000 . 5.500 4.883 4.847 4.925 . 0 0 "[ . 1 . 2]" 1
190 2 8 DA H1' 2 9 DT Q5' 2.400 . 3.000 2.989 2.938 3.014 0.014 1 0 "[ . 1 . 2]" 1
191 1 13 DC H3' 1 13 DC H6 4.875 4.250 5.500 4.244 4.232 4.263 0.018 14 0 "[ . 1 . 2]" 1
192 1 13 DC Q5' 1 13 DC H6 4.875 4.250 5.500 4.192 4.157 4.215 0.093 19 0 "[ . 1 . 2]" 1
193 2 8 DA H2'' 2 9 DT M7 2.400 . 3.000 2.900 2.784 2.988 . 0 0 "[ . 1 . 2]" 1
194 1 7 DA H2' 1 8 DT M7 2.400 . 3.000 2.426 2.260 2.566 . 0 0 "[ . 1 . 2]" 1
195 1 10 DG H2' 1 11 DT M7 2.400 . 3.000 2.323 2.176 2.446 . 0 0 "[ . 1 . 2]" 1
196 1 6 DG H1' 1 6 DG H4' 2.400 . 3.000 2.840 2.782 2.939 . 0 0 "[ . 1 . 2]" 1
197 1 6 DG H1' 1 7 DA Q5' 2.400 . 3.000 2.776 2.703 2.927 . 0 0 "[ . 1 . 2]" 1
198 1 8 DT H1' 1 8 DT H4' 2.400 . 3.000 3.005 2.975 3.032 0.032 19 0 "[ . 1 . 2]" 1
199 1 8 DT H1' 1 8 DT H5' 2.400 . 3.000 2.458 2.238 2.706 . 0 0 "[ . 1 . 2]" 1
200 2 12 DC H1' 2 12 DC H4' 3.625 3.000 4.250 3.050 2.957 3.246 0.043 18 0 "[ . 1 . 2]" 1
201 2 13 DC H1' 2 13 DC H4' 2.400 . 3.000 3.013 2.988 3.035 0.035 19 0 "[ . 1 . 2]" 1
202 2 12 DC H1' 2 13 DC Q5' 3.625 3.000 4.250 3.657 3.442 3.798 . 0 0 "[ . 1 . 2]" 1
203 2 13 DC H1' 2 14 DC H5' 2.400 . 3.000 3.073 3.056 3.090 0.090 16 0 "[ . 1 . 2]" 1
204 2 1 DC H2'' 2 2 DT H6 2.400 . 3.000 2.899 2.759 3.003 0.003 2 0 "[ . 1 . 2]" 1
205 2 13 DC H3' 2 13 DC H6 4.875 4.250 5.500 4.186 4.166 4.198 0.084 9 0 "[ . 1 . 2]" 1
206 2 2 DT H3' 2 2 DT H6 3.625 3.000 4.250 4.052 3.926 4.123 . 0 0 "[ . 1 . 2]" 1
207 2 7 DA H3' 2 7 DA H8 3.625 3.000 4.250 3.707 3.649 3.751 . 0 0 "[ . 1 . 2]" 1
208 1 5 DT H4' 1 5 DT H6 3.625 3.000 4.250 4.337 4.322 4.356 0.106 9 0 "[ . 1 . 2]" 1
209 2 1 DC H4' 2 2 DT H6 4.875 4.250 5.500 4.566 4.512 4.639 . 0 0 "[ . 1 . 2]" 1
210 1 13 DC H4' 1 13 DC H6 3.625 3.000 4.250 3.959 3.931 3.985 . 0 0 "[ . 1 . 2]" 1
211 1 11 DT H4' 1 11 DT H6 3.625 3.000 4.250 3.721 3.645 3.809 . 0 0 "[ . 1 . 2]" 1
212 2 1 DC H4' 2 1 DC H6 3.625 3.000 4.250 4.245 4.208 4.262 0.012 15 0 "[ . 1 . 2]" 1
213 1 5 DT H5'' 1 5 DT H6 3.625 3.000 4.250 4.282 4.253 4.307 0.057 8 0 "[ . 1 . 2]" 1
214 1 5 DT H5' 1 5 DT H6 3.625 3.000 4.250 3.878 3.817 3.946 . 0 0 "[ . 1 . 2]" 1
215 2 8 DA H2 2 9 DT H1' 4.875 4.250 5.500 4.266 4.185 4.461 0.065 7 0 "[ . 1 . 2]" 1
216 1 3 DG H1' 1 4 DG H8 3.625 3.000 4.250 4.282 4.197 4.317 0.067 1 0 "[ . 1 . 2]" 1
217 2 12 DC Q5' 2 12 DC H6 3.625 3.000 4.250 3.673 3.484 3.822 . 0 0 "[ . 1 . 2]" 1
218 2 13 DC H5' 2 13 DC H6 3.625 3.000 4.250 4.153 4.030 4.270 0.020 9 0 "[ . 1 . 2]" 1
219 2 4 DA H1' 2 4 DA H2 5.000 . 5.500 4.801 4.739 4.869 . 0 0 "[ . 1 . 2]" 1
220 2 8 DA H5'' 2 8 DA H8 3.625 3.000 4.250 4.338 4.303 4.357 0.107 9 0 "[ . 1 . 2]" 1
221 2 7 DA H5'' 2 7 DA H8 3.625 3.000 4.250 4.355 4.329 4.379 0.129 9 0 "[ . 1 . 2]" 1
222 2 4 DA H5' 2 4 DA H8 3.625 3.000 4.250 3.906 3.806 4.037 . 0 0 "[ . 1 . 2]" 1
223 1 12 DT H5' 1 12 DT H6 3.625 3.000 4.250 4.079 4.011 4.157 . 0 0 "[ . 1 . 2]" 1
224 1 10 DG H5' 1 10 DG H8 3.625 3.000 4.250 4.226 4.103 4.274 0.024 13 0 "[ . 1 . 2]" 1
225 1 9 DT H1' 1 9 DT M7 4.875 4.250 5.500 5.155 5.141 5.169 . 0 0 "[ . 1 . 2]" 1
226 1 13 DC H1' 1 14 DA H2' 4.875 4.250 5.500 4.817 4.682 4.909 . 0 0 "[ . 1 . 2]" 1
227 2 2 DT H1' 2 3 DG H2' 5.000 . 5.500 4.076 4.001 4.160 . 0 0 "[ . 1 . 2]" 1
228 2 3 DG H1' 2 4 DA H2' 4.875 4.250 5.500 5.438 5.365 5.496 . 0 0 "[ . 1 . 2]" 1
229 2 6 DC H1' 2 7 DA H2' 4.875 4.250 5.500 5.527 5.382 5.558 0.058 5 0 "[ . 1 . 2]" 1
230 2 9 DT H2'' 2 10 DC H5 2.400 . 3.000 3.031 3.014 3.054 0.054 19 0 "[ . 1 . 2]" 1
231 2 10 DC H2' 2 10 DC H5 5.000 . 5.500 4.234 4.205 4.275 . 0 0 "[ . 1 . 2]" 1
232 2 12 DC H1' 2 12 DC H2'' 2.400 . 3.000 2.233 2.194 2.290 . 0 0 "[ . 1 . 2]" 1
233 2 15 DC H1' 2 15 DC H2' 2.400 . 3.000 2.956 2.919 2.989 . 0 0 "[ . 1 . 2]" 1
234 2 15 DC H1' 2 15 DC H2'' 2.400 . 3.000 2.301 2.264 2.338 . 0 0 "[ . 1 . 2]" 1
235 1 6 DG H1' 1 7 DA H2' 4.875 4.250 5.500 4.874 4.765 4.980 . 0 0 "[ . 1 . 2]" 1
236 1 5 DT H1' 1 6 DG H2' 3.625 3.000 4.250 4.298 4.273 4.324 0.074 9 0 "[ . 1 . 2]" 1
237 2 6 DC H1' 2 7 DA H5' 3.625 3.000 4.250 3.403 3.196 3.573 . 0 0 "[ . 1 . 2]" 1
238 2 3 DG H1' 2 3 DG H5' 4.875 4.250 5.500 4.630 4.604 4.668 . 0 0 "[ . 1 . 2]" 1
239 2 10 DC H1' 2 11 DA H5'' 3.625 3.000 4.250 4.223 4.088 4.283 0.033 6 0 "[ . 1 . 2]" 1
240 2 10 DC H1' 2 11 DA H5' 3.625 3.000 4.250 2.972 2.942 2.996 0.058 6 0 "[ . 1 . 2]" 1
241 2 9 DT H1' 2 10 DC H4' 5.000 . 5.500 5.201 4.956 5.486 . 0 0 "[ . 1 . 2]" 1
242 2 9 DT H1' 2 10 DC H5' 3.625 3.000 4.250 3.721 3.382 3.937 . 0 0 "[ . 1 . 2]" 1
243 2 12 DC H1' 2 12 DC Q5' 5.000 . 5.500 4.298 4.269 4.358 . 0 0 "[ . 1 . 2]" 1
244 2 12 DC H1' 2 13 DC H4' 5.000 . 5.500 5.470 5.264 5.524 0.024 1 0 "[ . 1 . 2]" 1
245 2 13 DC H1' 2 13 DC H5'' 5.000 . 5.500 5.037 5.008 5.060 . 0 0 "[ . 1 . 2]" 1
246 2 7 DA H1' 2 7 DA H5'' 5.000 . 5.500 4.783 4.736 4.820 . 0 0 "[ . 1 . 2]" 1
247 2 7 DA H1' 2 8 DA H5' 2.400 . 3.000 2.959 2.910 3.008 0.008 10 0 "[ . 1 . 2]" 1
248 1 8 DT H1' 1 9 DT H4' 5.000 . 5.500 3.648 3.490 3.888 . 0 0 "[ . 1 . 2]" 1
249 2 4 DA H1' 2 5 DA H4' 4.875 4.250 5.500 4.643 4.387 4.869 . 0 0 "[ . 1 . 2]" 1
250 2 4 DA H1' 2 4 DA H5'' 5.000 . 5.500 4.872 4.829 4.907 . 0 0 "[ . 1 . 2]" 1
251 2 4 DA H1' 2 4 DA H5' 5.000 . 5.500 4.569 4.522 4.600 . 0 0 "[ . 1 . 2]" 1
252 1 4 DG H1' 1 5 DT H5' 5.000 . 5.500 3.000 2.663 3.561 . 0 0 "[ . 1 . 2]" 1
253 1 4 DG H1' 1 5 DT H5'' 5.000 . 5.500 4.660 4.338 5.224 . 0 0 "[ . 1 . 2]" 1
254 1 10 DG H1' 1 10 DG H5'' 5.000 . 5.500 4.932 4.911 4.943 . 0 0 "[ . 1 . 2]" 1
255 1 10 DG H1' 1 10 DG H5' 5.000 . 5.500 4.650 4.617 4.672 . 0 0 "[ . 1 . 2]" 1
256 1 10 DG H1' 1 11 DT H5'' 5.000 . 5.500 4.534 4.461 4.617 . 0 0 "[ . 1 . 2]" 1
257 1 11 DT H1' 1 11 DT H5'' 5.000 . 5.500 4.210 4.177 4.245 . 0 0 "[ . 1 . 2]" 1
258 1 12 DT H1' 1 12 DT H5'' 5.000 . 5.500 4.888 4.857 4.918 . 0 0 "[ . 1 . 2]" 1
259 1 12 DT H1' 1 13 DC H4' 3.625 3.000 4.250 3.573 3.283 3.736 . 0 0 "[ . 1 . 2]" 1
260 2 5 DA H1' 2 6 DC H4' 5.000 . 5.500 3.508 3.367 3.689 . 0 0 "[ . 1 . 2]" 1
261 1 14 DA H1' 1 15 DG H4' 5.000 . 5.500 4.466 4.210 4.636 . 0 0 "[ . 1 . 2]" 1
262 1 14 DA H1' 1 14 DA H5' 5.000 . 5.500 4.585 4.562 4.611 . 0 0 "[ . 1 . 2]" 1
263 1 15 DG H1' 1 15 DG Q5' 5.000 . 5.500 4.227 4.194 4.268 . 0 0 "[ . 1 . 2]" 1
264 2 14 DC H1' 2 15 DC H4' 4.875 4.250 5.500 5.145 4.663 5.508 0.008 5 0 "[ . 1 . 2]" 1
265 2 8 DA H1' 2 9 DT H4' 5.000 . 5.500 4.570 4.491 4.639 . 0 0 "[ . 1 . 2]" 1
266 2 11 DA H1' 2 11 DA H5' 5.000 . 5.500 4.754 4.695 4.799 . 0 0 "[ . 1 . 2]" 1
267 2 15 DC H1' 2 15 DC H4' 3.625 3.000 4.250 3.012 2.913 3.180 0.087 2 0 "[ . 1 . 2]" 1
268 2 3 DG H3' 2 4 DA H8 4.875 4.250 5.500 4.847 4.779 4.914 . 0 0 "[ . 1 . 2]" 1
269 2 5 DA H3' 2 6 DC H6 3.625 3.000 4.250 4.355 4.341 4.369 0.119 8 0 "[ . 1 . 2]" 1
270 2 8 DA H1' 2 8 DA H3' 3.625 3.000 4.250 3.783 3.755 3.820 . 0 0 "[ . 1 . 2]" 1
271 2 9 DT H1' 2 9 DT H3' 4.875 4.250 5.500 4.154 4.135 4.172 0.115 7 0 "[ . 1 . 2]" 1
272 2 9 DT H3' 2 10 DC H6 3.625 3.000 4.250 4.334 4.316 4.366 0.116 7 0 "[ . 1 . 2]" 1
273 2 11 DA H1' 2 11 DA H3' 3.625 3.000 4.250 3.932 3.905 3.955 . 0 0 "[ . 1 . 2]" 1
274 2 13 DC H1' 2 13 DC H3' 4.875 4.250 5.500 4.096 4.077 4.116 0.173 4 0 "[ . 1 . 2]" 1
275 1 2 DG H1' 1 2 DG H3' 3.625 3.000 4.250 3.887 3.853 3.912 . 0 0 "[ . 1 . 2]" 1
276 1 8 DT H2' 1 8 DT M7 2.400 . 3.000 3.238 3.215 3.259 0.259 15 0 "[ . 1 . 2]" 1
277 1 11 DT H2'' 1 11 DT M7 4.875 4.250 5.500 5.139 5.103 5.162 . 0 0 "[ . 1 . 2]" 1
278 1 8 DT H2'' 1 8 DT M7 3.625 3.000 4.250 4.239 4.200 4.258 0.008 7 0 "[ . 1 . 2]" 1
279 2 9 DT H2' 2 9 DT M7 2.400 . 3.000 3.269 3.252 3.282 0.282 7 0 "[ . 1 . 2]" 1
280 1 11 DT H3' 1 12 DT M7 3.625 3.000 4.250 3.917 3.800 4.146 . 0 0 "[ . 1 . 2]" 1
281 1 12 DT H3' 1 12 DT M7 4.875 4.250 5.500 5.335 5.286 5.456 . 0 0 "[ . 1 . 2]" 1
282 1 11 DT H3' 1 11 DT M7 4.875 4.250 5.500 5.220 5.053 5.310 . 0 0 "[ . 1 . 2]" 1
283 1 5 DT H3' 1 5 DT M7 4.875 4.250 5.500 5.551 5.507 5.566 0.066 20 0 "[ . 1 . 2]" 1
284 1 8 DT H3' 1 8 DT M7 4.875 4.250 5.500 5.010 4.956 5.073 . 0 0 "[ . 1 . 2]" 1
285 2 8 DA H3' 2 9 DT M7 3.625 3.000 4.250 4.100 3.963 4.192 . 0 0 "[ . 1 . 2]" 1
286 2 15 DC H2' 2 15 DC H3' 2.400 . 3.000 2.172 2.157 2.191 . 0 0 "[ . 1 . 2]" 1
287 2 15 DC H2'' 2 15 DC H3' 2.400 . 3.000 2.898 2.869 2.936 . 0 0 "[ . 1 . 2]" 1
288 1 1 DG H1' 1 1 DG H3' 3.625 3.000 4.250 4.047 4.026 4.075 . 0 0 "[ . 1 . 2]" 1
289 2 3 DG H2'' 2 3 DG H8 3.625 3.000 4.250 3.784 3.731 3.820 . 0 0 "[ . 1 . 2]" 1
290 1 10 DG H1' 1 11 DT H4' 3.625 3.000 4.250 2.928 2.872 3.020 0.128 9 0 "[ . 1 . 2]" 1
291 1 7 DA H1' 1 7 DA Q5' 4.275 3.650 4.900 4.240 4.225 4.261 . 0 0 "[ . 1 . 2]" 1
292 2 9 DT H2'' 2 9 DT H4' 5.000 . 5.500 3.709 3.677 3.747 . 0 0 "[ . 1 . 2]" 1
293 2 12 DC H6 2 13 DC H6 5.000 . 5.500 4.678 4.277 5.102 . 0 0 "[ . 1 . 2]" 1
294 2 13 DC H6 2 14 DC H6 5.000 . 5.500 5.180 4.690 5.507 0.007 5 0 "[ . 1 . 2]" 1
295 2 14 DC H6 2 15 DC H6 5.000 . 5.500 4.825 4.391 5.156 . 0 0 "[ . 1 . 2]" 1
296 2 4 DA H8 2 5 DA H8 5.000 . 5.500 4.901 4.681 5.099 . 0 0 "[ . 1 . 2]" 1
297 2 3 DG H8 2 4 DA H8 4.875 4.250 5.500 5.331 5.126 5.505 0.005 10 0 "[ . 1 . 2]" 1
298 1 12 DT H6 1 13 DC H6 5.000 . 5.500 4.779 4.660 4.849 . 0 0 "[ . 1 . 2]" 1
299 1 11 DT H6 1 12 DT H6 5.000 . 5.500 4.556 4.324 4.787 . 0 0 "[ . 1 . 2]" 1
300 1 8 DT H6 1 9 DT H6 5.000 . 5.500 4.483 4.331 4.644 . 0 0 "[ . 1 . 2]" 1
301 1 7 DA H2 1 8 DT H1' 4.875 4.250 5.500 4.776 4.526 5.198 . 0 0 "[ . 1 . 2]" 1
302 1 7 DA H2 2 9 DT H1' 4.875 4.250 5.500 4.997 4.821 5.279 . 0 0 "[ . 1 . 2]" 1
303 1 13 DC H1' 2 4 DA H2 4.875 4.250 5.500 5.403 4.983 5.529 0.029 3 0 "[ . 1 . 2]" 1
304 1 15 DG Q5' 1 15 DG H8 4.875 4.250 5.500 4.372 4.284 4.440 . 0 0 "[ . 1 . 2]" 1
305 2 2 DT H1' 2 3 DG H2'' 5.000 . 5.500 5.588 5.573 5.606 0.106 19 0 "[ . 1 . 2]" 1
306 2 11 DA H1' 2 12 DC H2'' 5.000 . 5.500 5.580 5.556 5.598 0.098 9 0 "[ . 1 . 2]" 1
307 2 6 DC H1' 2 7 DA H4' 4.875 4.250 5.500 5.099 4.812 5.347 . 0 0 "[ . 1 . 2]" 1
308 1 13 DC H1' 1 14 DA H4' 4.875 4.250 5.500 4.971 4.803 5.058 . 0 0 "[ . 1 . 2]" 1
309 1 8 DT H1' 1 8 DT H5'' 4.875 4.250 5.500 4.903 4.884 4.918 . 0 0 "[ . 1 . 2]" 1
310 2 5 DA H1' 2 5 DA Q5' 5.000 . 5.500 4.285 4.269 4.303 . 0 0 "[ . 1 . 2]" 1
311 1 14 DA H1' 1 14 DA H5'' 5.000 . 5.500 2.977 2.956 2.998 . 0 0 "[ . 1 . 2]" 1
312 2 14 DC H1' 2 14 DC Q5' 4.875 4.250 5.500 4.257 4.206 4.324 0.044 8 0 "[ . 1 . 2]" 1
313 2 2 DT H2'' 2 2 DT M7 5.000 . 5.500 5.021 4.966 5.065 . 0 0 "[ . 1 . 2]" 1
314 1 12 DT H2'' 1 12 DT M7 4.875 4.250 5.500 4.882 4.846 4.916 . 0 0 "[ . 1 . 2]" 1
315 2 11 DA H3' 2 12 DC H5 4.875 4.250 5.500 5.434 4.992 5.519 0.019 15 0 "[ . 1 . 2]" 1
316 2 6 DC H1' 2 6 DC H5 5.000 . 5.500 5.496 5.489 5.504 0.004 10 0 "[ . 1 . 2]" 1
317 2 13 DC H1' 2 13 DC H5 5.000 . 5.500 5.472 5.455 5.494 . 0 0 "[ . 1 . 2]" 1
318 1 11 DT H4' 1 12 DT M7 4.875 4.250 5.500 5.437 5.392 5.497 . 0 0 "[ . 1 . 2]" 1
319 1 8 DT H4' 1 9 DT M7 4.875 4.250 5.500 5.517 5.489 5.534 0.034 3 0 "[ . 1 . 2]" 1
320 1 1 DG H4' 1 1 DG Q5' 5.000 . 5.500 2.279 2.269 2.291 . 0 0 "[ . 1 . 2]" 1
321 1 7 DA H1' 1 8 DT H5'' 3.625 3.000 4.250 4.298 4.273 4.316 0.066 2 0 "[ . 1 . 2]" 1
322 2 3 DG H1' 2 3 DG H5'' 5.000 . 5.500 4.872 4.829 4.898 . 0 0 "[ . 1 . 2]" 1
323 2 8 DA H1' 2 8 DA H5' 4.875 4.250 5.500 4.645 4.613 4.671 . 0 0 "[ . 1 . 2]" 1
324 2 11 DA H1' 2 11 DA H5'' 4.875 4.250 5.500 5.068 5.011 5.111 . 0 0 "[ . 1 . 2]" 1
325 1 14 DA H3' 1 15 DG H8 5.000 . 5.500 5.114 4.987 5.244 . 0 0 "[ . 1 . 2]" 1
326 2 1 DC H2' 2 1 DC H5'' 5.000 . 5.500 4.395 4.349 4.474 . 0 0 "[ . 1 . 2]" 1
327 2 1 DC H2'' 2 1 DC H5'' 5.000 . 5.500 4.988 4.961 5.017 . 0 0 "[ . 1 . 2]" 1
328 2 1 DC H2' 2 1 DC H5' 5.000 . 5.500 4.710 4.642 4.774 . 0 0 "[ . 1 . 2]" 1
329 1 4 DG H2' 1 5 DT H6 3.625 3.000 4.250 3.820 3.656 3.945 . 0 0 "[ . 1 . 2]" 1
330 2 9 DT H2' 2 9 DT H4' 3.625 3.000 4.250 4.004 3.981 4.022 . 0 0 "[ . 1 . 2]" 1
331 1 10 DG H4' 1 11 DT M7 4.875 4.250 5.500 5.440 5.324 5.510 0.010 18 0 "[ . 1 . 2]" 1
332 1 4 DG H4' 1 5 DT M7 4.875 4.250 5.500 5.505 5.478 5.527 0.027 5 0 "[ . 1 . 2]" 1
333 2 10 DC H6 2 11 DA H8 4.875 4.375 5.375 5.212 4.916 5.420 0.045 10 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 76
_Distance_constraint_stats_list.Viol_count 608
_Distance_constraint_stats_list.Viol_total 793.498
_Distance_constraint_stats_list.Viol_max 0.178
_Distance_constraint_stats_list.Viol_rms 0.0449
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0261
_Distance_constraint_stats_list.Viol_average_violations_only 0.0653
_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 DG 3.205 0.129 15 0 "[ . 1 . 2]"
1 2 DG 3.091 0.122 9 0 "[ . 1 . 2]"
1 3 DG 1.721 0.083 9 0 "[ . 1 . 2]"
1 4 DG 2.882 0.122 15 0 "[ . 1 . 2]"
1 5 DT 3.279 0.174 9 0 "[ . 1 . 2]"
1 6 DG 1.420 0.085 16 0 "[ . 1 . 2]"
1 7 DA 2.193 0.124 19 0 "[ . 1 . 2]"
1 8 DT 2.649 0.137 6 0 "[ . 1 . 2]"
1 9 DT 3.270 0.113 19 0 "[ . 1 . 2]"
1 10 DG 3.006 0.121 11 0 "[ . 1 . 2]"
1 11 DT 3.140 0.178 9 0 "[ . 1 . 2]"
1 12 DT 2.532 0.150 16 0 "[ . 1 . 2]"
1 13 DC 1.384 0.072 9 0 "[ . 1 . 2]"
1 14 DA 2.958 0.157 15 0 "[ . 1 . 2]"
1 15 DG 2.943 0.125 19 0 "[ . 1 . 2]"
2 1 DC 2.943 0.125 19 0 "[ . 1 . 2]"
2 2 DT 2.958 0.157 15 0 "[ . 1 . 2]"
2 3 DG 1.384 0.072 9 0 "[ . 1 . 2]"
2 4 DA 2.532 0.150 16 0 "[ . 1 . 2]"
2 5 DA 3.140 0.178 9 0 "[ . 1 . 2]"
2 6 DC 3.006 0.121 11 0 "[ . 1 . 2]"
2 7 DA 3.270 0.113 19 0 "[ . 1 . 2]"
2 8 DA 2.649 0.137 6 0 "[ . 1 . 2]"
2 9 DT 2.193 0.124 19 0 "[ . 1 . 2]"
2 10 DC 1.420 0.085 16 0 "[ . 1 . 2]"
2 11 DA 3.279 0.174 9 0 "[ . 1 . 2]"
2 12 DC 2.882 0.122 15 0 "[ . 1 . 2]"
2 13 DC 1.721 0.083 9 0 "[ . 1 . 2]"
2 14 DC 3.091 0.122 9 0 "[ . 1 . 2]"
2 15 DC 3.205 0.129 15 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 DG H21 2 15 DC O2 1.870 . 1.870 1.881 1.866 1.893 0.023 5 0 "[ . 1 . 2]" 2
2 1 1 DG N2 2 15 DC O2 2.850 . 2.950 2.867 2.846 2.891 . 0 0 "[ . 1 . 2]" 2
3 1 1 DG H1 2 15 DC N3 1.850 . 1.850 1.968 1.956 1.979 0.129 15 0 "[ . 1 . 2]" 2
4 1 1 DG N1 2 15 DC N3 2.880 . 2.980 2.945 2.910 2.984 0.004 20 0 "[ . 1 . 2]" 2
5 1 1 DG O6 2 15 DC H41 1.880 . 1.880 1.911 1.895 1.922 0.042 1 0 "[ . 1 . 2]" 2
6 1 1 DG O6 2 15 DC N4 2.910 . 3.010 2.889 2.833 2.931 . 0 0 "[ . 1 . 2]" 2
7 1 2 DG H21 2 14 DC O2 1.870 . 1.870 1.849 1.771 1.877 0.007 19 0 "[ . 1 . 2]" 2
8 1 2 DG N2 2 14 DC O2 2.850 . 2.950 2.777 2.676 2.822 . 0 0 "[ . 1 . 2]" 2
9 1 2 DG H1 2 14 DC N3 1.850 . 1.850 1.959 1.946 1.972 0.122 9 0 "[ . 1 . 2]" 2
10 1 2 DG N1 2 14 DC N3 2.880 . 2.980 2.926 2.900 2.952 . 0 0 "[ . 1 . 2]" 2
11 1 2 DG O6 2 14 DC H41 1.880 . 1.880 1.925 1.907 1.942 0.062 7 0 "[ . 1 . 2]" 2
12 1 2 DG O6 2 14 DC N4 2.910 . 3.010 2.912 2.884 2.937 . 0 0 "[ . 1 . 2]" 2
13 1 3 DG H21 2 13 DC O2 1.870 . 1.870 1.873 1.838 1.895 0.025 9 0 "[ . 1 . 2]" 2
14 1 3 DG N2 2 13 DC O2 2.850 . 2.950 2.879 2.850 2.904 . 0 0 "[ . 1 . 2]" 2
15 1 3 DG H1 2 13 DC N3 1.850 . 1.850 1.926 1.920 1.933 0.083 9 0 "[ . 1 . 2]" 2
16 1 3 DG N1 2 13 DC N3 2.880 . 2.980 2.934 2.927 2.945 . 0 0 "[ . 1 . 2]" 2
17 1 3 DG O6 2 13 DC H41 1.880 . 1.880 1.864 1.793 1.896 0.016 11 0 "[ . 1 . 2]" 2
18 1 3 DG O6 2 13 DC N4 2.910 . 3.010 2.862 2.794 2.901 . 0 0 "[ . 1 . 2]" 2
19 1 4 DG H21 2 12 DC O2 1.870 . 1.870 1.887 1.876 1.897 0.027 15 0 "[ . 1 . 2]" 2
20 1 4 DG N2 2 12 DC O2 2.850 . 2.950 2.843 2.800 2.869 . 0 0 "[ . 1 . 2]" 2
21 1 4 DG H1 2 12 DC N3 1.850 . 1.850 1.957 1.945 1.972 0.122 15 0 "[ . 1 . 2]" 2
22 1 4 DG N1 2 12 DC N3 2.880 . 2.980 2.940 2.913 2.956 . 0 0 "[ . 1 . 2]" 2
23 1 4 DG O6 2 12 DC H41 1.880 . 1.880 1.900 1.887 1.916 0.036 4 0 "[ . 1 . 2]" 2
24 1 4 DG O6 2 12 DC N4 2.910 . 3.010 2.893 2.872 2.925 . 0 0 "[ . 1 . 2]" 2
25 1 5 DT H3 2 11 DA N1 1.850 . 1.850 1.996 1.983 2.024 0.174 9 0 "[ . 1 . 2]" 2
26 1 5 DT N3 2 11 DA N1 2.880 . 2.980 2.976 2.957 2.999 0.019 20 0 "[ . 1 . 2]" 2
27 1 5 DT O4 2 11 DA H61 1.880 . 1.880 1.892 1.867 1.912 0.032 7 0 "[ . 1 . 2]" 2
28 1 5 DT O4 2 11 DA N6 2.910 . 3.010 2.872 2.838 2.902 . 0 0 "[ . 1 . 2]" 2
29 1 6 DG H21 2 10 DC O2 1.870 . 1.870 1.829 1.773 1.871 0.001 18 0 "[ . 1 . 2]" 2
30 1 6 DG N2 2 10 DC O2 2.850 . 2.950 2.829 2.757 2.873 . 0 0 "[ . 1 . 2]" 2
31 1 6 DG H1 2 10 DC N3 1.850 . 1.850 1.904 1.867 1.935 0.085 16 0 "[ . 1 . 2]" 2
32 1 6 DG N1 2 10 DC N3 2.880 . 2.980 2.908 2.856 2.946 . 0 0 "[ . 1 . 2]" 2
33 1 6 DG O6 2 10 DC H41 1.880 . 1.880 1.896 1.858 1.913 0.033 14 0 "[ . 1 . 2]" 2
34 1 6 DG O6 2 10 DC N4 2.910 . 3.010 2.894 2.831 2.925 . 0 0 "[ . 1 . 2]" 2
35 1 7 DA N1 2 9 DT H3 1.850 . 1.850 1.960 1.944 1.974 0.124 19 0 "[ . 1 . 2]" 2
36 1 7 DA N1 2 9 DT N3 2.880 . 2.980 2.896 2.873 2.940 . 0 0 "[ . 1 . 2]" 2
37 1 7 DA H61 2 9 DT O4 1.880 . 1.880 1.806 1.706 1.870 . 0 0 "[ . 1 . 2]" 2
38 1 7 DA N6 2 9 DT O4 2.910 . 3.010 2.754 2.622 2.835 . 0 0 "[ . 1 . 2]" 2
39 1 8 DT H3 2 8 DA N1 1.850 . 1.850 1.978 1.955 1.987 0.137 6 0 "[ . 1 . 2]" 2
40 1 8 DT N3 2 8 DA N1 2.880 . 2.980 2.974 2.950 2.999 0.019 19 0 "[ . 1 . 2]" 2
41 1 8 DT O4 2 8 DA H61 1.880 . 1.880 1.848 1.765 1.906 0.026 9 0 "[ . 1 . 2]" 2
42 1 8 DT O4 2 8 DA N6 2.910 . 3.010 2.832 2.739 2.884 . 0 0 "[ . 1 . 2]" 2
43 1 9 DT H3 2 7 DA N1 1.850 . 1.850 1.943 1.916 1.963 0.113 19 0 "[ . 1 . 2]" 2
44 1 9 DT N3 2 7 DA N1 2.880 . 2.980 2.897 2.839 2.955 . 0 0 "[ . 1 . 2]" 2
45 1 9 DT O4 2 7 DA H61 1.880 . 1.880 1.951 1.917 1.964 0.084 3 0 "[ . 1 . 2]" 2
46 1 9 DT O4 2 7 DA N6 2.910 . 3.010 2.936 2.881 2.966 . 0 0 "[ . 1 . 2]" 2
47 1 10 DG H21 2 6 DC O2 1.870 . 1.870 1.904 1.872 1.921 0.051 5 0 "[ . 1 . 2]" 2
48 1 10 DG N2 2 6 DC O2 2.850 . 2.950 2.865 2.806 2.903 . 0 0 "[ . 1 . 2]" 2
49 1 10 DG H1 2 6 DC N3 1.850 . 1.850 1.959 1.941 1.971 0.121 11 0 "[ . 1 . 2]" 2
50 1 10 DG N1 2 6 DC N3 2.880 . 2.980 2.933 2.915 2.958 . 0 0 "[ . 1 . 2]" 2
51 1 10 DG O6 2 6 DC H41 1.880 . 1.880 1.883 1.832 1.904 0.024 10 0 "[ . 1 . 2]" 2
52 1 10 DG O6 2 6 DC N4 2.910 . 3.010 2.836 2.807 2.865 . 0 0 "[ . 1 . 2]" 2
53 1 11 DT H3 2 5 DA N1 1.850 . 1.850 2.007 1.983 2.028 0.178 9 0 "[ . 1 . 2]" 2
54 1 11 DT N3 2 5 DA N1 2.880 . 2.980 2.923 2.899 2.978 . 0 0 "[ . 1 . 2]" 2
55 1 11 DT O4 2 5 DA H61 1.880 . 1.880 1.788 1.736 1.851 . 0 0 "[ . 1 . 2]" 2
56 1 11 DT O4 2 5 DA N6 2.910 . 3.010 2.698 2.616 2.756 . 0 0 "[ . 1 . 2]" 2
57 1 12 DT H3 2 4 DA N1 1.850 . 1.850 1.969 1.953 2.000 0.150 16 0 "[ . 1 . 2]" 2
58 1 12 DT N3 2 4 DA N1 2.880 . 2.980 2.950 2.911 2.991 0.011 9 0 "[ . 1 . 2]" 2
59 1 12 DT O4 2 4 DA H61 1.880 . 1.880 1.878 1.814 1.901 0.021 13 0 "[ . 1 . 2]" 2
60 1 12 DT O4 2 4 DA N6 2.910 . 3.010 2.841 2.776 2.893 . 0 0 "[ . 1 . 2]" 2
61 1 13 DC O2 2 3 DG H21 1.870 . 1.870 1.829 1.757 1.863 . 0 0 "[ . 1 . 2]" 2
62 1 13 DC O2 2 3 DG N2 2.850 . 2.950 2.835 2.758 2.873 . 0 0 "[ . 1 . 2]" 2
63 1 13 DC N3 2 3 DG H1 1.850 . 1.850 1.912 1.895 1.922 0.072 9 0 "[ . 1 . 2]" 2
64 1 13 DC N3 2 3 DG N1 2.880 . 2.980 2.913 2.879 2.932 . 0 0 "[ . 1 . 2]" 2
65 1 13 DC H41 2 3 DG O6 1.880 . 1.880 1.885 1.866 1.903 0.023 2 0 "[ . 1 . 2]" 2
66 1 13 DC N4 2 3 DG O6 2.910 . 3.010 2.883 2.843 2.902 . 0 0 "[ . 1 . 2]" 2
67 1 14 DA N1 2 2 DT H3 1.850 . 1.850 1.989 1.969 2.007 0.157 15 0 "[ . 1 . 2]" 2
68 1 14 DA N1 2 2 DT N3 2.880 . 2.980 2.951 2.914 2.987 0.007 4 0 "[ . 1 . 2]" 2
69 1 14 DA H61 2 2 DT O4 1.880 . 1.880 1.887 1.866 1.915 0.035 7 0 "[ . 1 . 2]" 2
70 1 14 DA N6 2 2 DT O4 2.910 . 3.010 2.849 2.820 2.891 . 0 0 "[ . 1 . 2]" 2
71 1 15 DG H21 2 1 DC O2 1.870 . 1.870 1.873 1.856 1.894 0.024 9 0 "[ . 1 . 2]" 2
72 1 15 DG N2 2 1 DC O2 2.850 . 2.950 2.852 2.792 2.895 . 0 0 "[ . 1 . 2]" 2
73 1 15 DG H1 2 1 DC N3 1.850 . 1.850 1.962 1.950 1.975 0.125 19 0 "[ . 1 . 2]" 2
74 1 15 DG N1 2 1 DC N3 2.880 . 2.980 2.949 2.907 2.980 0.000 15 0 "[ . 1 . 2]" 2
75 1 15 DG O6 2 1 DC H41 1.880 . 1.880 1.909 1.888 1.926 0.046 7 0 "[ . 1 . 2]" 2
76 1 15 DG O6 2 1 DC N4 2.910 . 3.010 2.901 2.847 2.943 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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