NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
385295 |
1kz0   |
5289 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1kz0
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 310
_Distance_constraint_stats_list.Viol_count 1758
_Distance_constraint_stats_list.Viol_total 4919.579
_Distance_constraint_stats_list.Viol_max 0.399
_Distance_constraint_stats_list.Viol_rms 0.0579
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0235
_Distance_constraint_stats_list.Viol_average_violations_only 0.1076
_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 ARG 2.330 0.128 25 0 "[ . 1 . 2 . ]"
1 2 GLN 14.491 0.190 4 0 "[ . 1 . 2 . ]"
1 3 ILE 16.778 0.237 26 0 "[ . 1 . 2 . ]"
1 4 LYS 15.753 0.172 17 0 "[ . 1 . 2 . ]"
1 5 ILE 20.401 0.178 2 0 "[ . 1 . 2 . ]"
1 6 TRP 42.635 0.246 6 0 "[ . 1 . 2 . ]"
1 7 PHE 17.739 0.286 17 0 "[ . 1 . 2 . ]"
1 8 GLN 5.654 0.117 24 0 "[ . 1 . 2 . ]"
1 9 ASN 42.356 0.286 17 0 "[ . 1 . 2 . ]"
1 10 ARG 14.854 0.270 23 0 "[ . 1 . 2 . ]"
1 11 ARG 15.285 0.225 11 0 "[ . 1 . 2 . ]"
1 12 MET 19.435 0.263 22 0 "[ . 1 . 2 . ]"
1 13 LYS 23.138 0.399 6 0 "[ . 1 . 2 . ]"
1 14 TRP 33.887 0.304 11 0 "[ . 1 . 2 . ]"
1 15 LYS 2.072 0.091 25 0 "[ . 1 . 2 . ]"
1 16 LYS 1.865 0.231 26 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 ARG HA 1 1 ARG QD 1.800 . 5.000 4.154 3.497 4.480 . 0 0 "[ . 1 . 2 . ]" 1
2 1 1 ARG HA 1 1 ARG HE 1.800 . 5.000 4.603 4.159 5.017 0.017 11 0 "[ . 1 . 2 . ]" 1
3 1 1 ARG HA 1 1 ARG QG 1.800 . 3.500 2.846 2.014 3.297 . 0 0 "[ . 1 . 2 . ]" 1
4 1 1 ARG HA 1 2 GLN H 1.800 . 3.500 2.683 2.459 2.891 . 0 0 "[ . 1 . 2 . ]" 1
5 1 1 ARG HA 1 2 GLN QG 1.800 . 3.500 2.895 2.865 2.930 . 0 0 "[ . 1 . 2 . ]" 1
6 1 1 ARG QB 1 1 ARG HD3 1.800 . 2.500 2.222 2.038 2.357 . 0 0 "[ . 1 . 2 . ]" 1
7 1 1 ARG HB3 1 1 ARG HE 1.800 . 5.000 2.314 1.995 2.838 . 0 0 "[ . 1 . 2 . ]" 1
8 1 1 ARG HD3 1 1 ARG HG3 1.800 . 2.500 2.565 2.538 2.628 0.128 25 0 "[ . 1 . 2 . ]" 1
9 1 1 ARG HE 1 1 ARG HG3 1.800 . 3.500 3.523 3.478 3.561 0.061 3 0 "[ . 1 . 2 . ]" 1
10 1 1 ARG QG 1 2 GLN H 1.800 . 5.000 2.447 1.836 3.238 . 0 0 "[ . 1 . 2 . ]" 1
11 1 1 ARG QG 1 2 GLN HA 1.800 . 5.000 3.993 3.599 4.521 . 0 0 "[ . 1 . 2 . ]" 1
12 1 2 GLN H 1 2 GLN HB2 1.800 . 3.500 2.475 2.447 2.495 . 0 0 "[ . 1 . 2 . ]" 1
13 1 2 GLN H 1 2 GLN HB3 1.800 . 3.500 3.668 3.618 3.690 0.190 4 0 "[ . 1 . 2 . ]" 1
14 1 2 GLN H 1 2 GLN QG 1.800 . 3.500 2.574 2.298 2.684 . 0 0 "[ . 1 . 2 . ]" 1
15 1 2 GLN H 1 3 ILE H 1.800 . 5.000 4.196 3.961 4.261 . 0 0 "[ . 1 . 2 . ]" 1
16 1 2 GLN HA 1 2 GLN HB3 1.800 . 2.500 2.462 2.417 2.476 . 0 0 "[ . 1 . 2 . ]" 1
17 1 2 GLN HA 1 2 GLN QG 1.800 . 3.500 2.793 2.772 2.819 . 0 0 "[ . 1 . 2 . ]" 1
18 1 2 GLN HA 1 3 ILE H 1.800 . 3.500 2.783 2.693 3.020 . 0 0 "[ . 1 . 2 . ]" 1
19 1 2 GLN HA 1 3 ILE HA 1.800 . 5.000 4.819 4.753 4.984 . 0 0 "[ . 1 . 2 . ]" 1
20 1 2 GLN HA 1 4 LYS H 1.800 . 3.500 3.582 3.570 3.604 0.104 11 0 "[ . 1 . 2 . ]" 1
21 1 2 GLN HA 1 4 LYS HG2 1.800 . 5.000 2.981 2.960 3.002 . 0 0 "[ . 1 . 2 . ]" 1
22 1 2 GLN HA 1 5 ILE H 1.800 . 5.000 4.873 4.848 4.936 . 0 0 "[ . 1 . 2 . ]" 1
23 1 2 GLN HA 1 5 ILE HG13 1.800 . 5.000 5.120 5.099 5.173 0.173 11 0 "[ . 1 . 2 . ]" 1
24 1 2 GLN HB2 1 2 GLN HE21 1.800 . 5.000 3.483 3.342 3.553 . 0 0 "[ . 1 . 2 . ]" 1
25 1 2 GLN HB2 1 2 GLN HG3 1.800 . 2.500 2.381 2.328 2.409 . 0 0 "[ . 1 . 2 . ]" 1
26 1 2 GLN HB2 1 3 ILE H 1.800 . 3.500 2.789 2.272 2.963 . 0 0 "[ . 1 . 2 . ]" 1
27 1 2 GLN HB2 1 3 ILE HA 1.800 . 5.000 4.564 4.182 4.705 . 0 0 "[ . 1 . 2 . ]" 1
28 1 2 GLN HB3 1 2 GLN HE21 1.800 . 5.000 2.025 1.982 2.114 . 0 0 "[ . 1 . 2 . ]" 1
29 1 2 GLN HB3 1 3 ILE H 1.800 . 3.500 1.862 1.842 1.922 . 0 0 "[ . 1 . 2 . ]" 1
30 1 2 GLN HB3 1 3 ILE HB 1.800 . 5.000 4.582 4.444 4.921 . 0 0 "[ . 1 . 2 . ]" 1
31 1 2 GLN HE21 1 2 GLN HG3 1.800 . 3.500 2.682 2.639 2.703 . 0 0 "[ . 1 . 2 . ]" 1
32 1 2 GLN HE22 1 2 GLN HG3 1.800 . 3.500 3.670 3.654 3.680 0.180 9 0 "[ . 1 . 2 . ]" 1
33 1 2 GLN HE22 1 4 LYS HG2 1.800 . 5.000 5.017 5.002 5.034 0.034 3 0 "[ . 1 . 2 . ]" 1
34 1 2 GLN HE22 1 5 ILE MD 1.800 . 5.000 4.035 4.024 4.046 . 0 0 "[ . 1 . 2 . ]" 1
35 1 2 GLN QG 1 3 ILE H 1.800 . 5.000 3.947 3.837 3.976 . 0 0 "[ . 1 . 2 . ]" 1
36 1 2 GLN QG 1 3 ILE MD 1.800 . 5.000 3.743 3.733 3.752 . 0 0 "[ . 1 . 2 . ]" 1
37 1 3 ILE H 1 3 ILE HB 1.800 . 3.500 3.397 3.386 3.411 . 0 0 "[ . 1 . 2 . ]" 1
38 1 3 ILE H 1 3 ILE HG12 1.800 . 5.000 4.446 4.437 4.452 . 0 0 "[ . 1 . 2 . ]" 1
39 1 3 ILE H 1 3 ILE HG13 1.800 . 5.000 4.083 4.065 4.133 . 0 0 "[ . 1 . 2 . ]" 1
40 1 3 ILE H 1 3 ILE MG 1.800 . 5.000 4.102 4.100 4.104 . 0 0 "[ . 1 . 2 . ]" 1
41 1 3 ILE H 1 4 LYS H 1.800 . 3.500 2.609 2.554 2.643 . 0 0 "[ . 1 . 2 . ]" 1
42 1 3 ILE HA 1 3 ILE MD 1.800 . 3.500 2.021 1.969 2.045 . 0 0 "[ . 1 . 2 . ]" 1
43 1 3 ILE HA 1 3 ILE HG12 1.800 . 3.500 3.563 3.559 3.566 0.066 24 0 "[ . 1 . 2 . ]" 1
44 1 3 ILE HA 1 3 ILE HG13 1.800 . 3.500 2.479 2.463 2.507 . 0 0 "[ . 1 . 2 . ]" 1
45 1 3 ILE HA 1 3 ILE MG 1.800 . 3.500 2.555 2.544 2.567 . 0 0 "[ . 1 . 2 . ]" 1
46 1 3 ILE HA 1 4 LYS H 1.800 . 3.500 2.871 2.860 2.916 . 0 0 "[ . 1 . 2 . ]" 1
47 1 3 ILE HA 1 5 ILE H 1.800 . 5.000 4.409 4.391 4.430 . 0 0 "[ . 1 . 2 . ]" 1
48 1 3 ILE HA 1 6 TRP HB2 1.800 . 3.500 3.699 3.679 3.707 0.207 22 0 "[ . 1 . 2 . ]" 1
49 1 3 ILE HA 1 6 TRP HB3 1.800 . 3.500 3.128 3.114 3.138 . 0 0 "[ . 1 . 2 . ]" 1
50 1 3 ILE HA 1 6 TRP HD1 1.800 . 3.500 2.835 2.824 2.840 . 0 0 "[ . 1 . 2 . ]" 1
51 1 3 ILE HA 1 6 TRP HE3 1.800 . 3.500 3.726 3.700 3.737 0.237 26 0 "[ . 1 . 2 . ]" 1
52 1 3 ILE HB 1 4 LYS H 1.800 . 5.000 4.315 4.263 4.328 . 0 0 "[ . 1 . 2 . ]" 1
53 1 3 ILE HB 1 4 LYS HA 1.800 . 5.000 5.146 5.134 5.157 0.157 26 0 "[ . 1 . 2 . ]" 1
54 1 3 ILE MD 1 6 TRP HZ2 1.800 . 5.000 4.373 4.338 4.385 . 0 0 "[ . 1 . 2 . ]" 1
55 1 3 ILE HG12 1 3 ILE MG 1.800 . 3.500 2.396 2.386 2.428 . 0 0 "[ . 1 . 2 . ]" 1
56 1 3 ILE HG13 1 3 ILE MG 1.800 . 3.500 2.260 2.243 2.272 . 0 0 "[ . 1 . 2 . ]" 1
57 1 3 ILE HG13 1 6 TRP HZ2 1.800 . 5.000 2.907 2.897 2.924 . 0 0 "[ . 1 . 2 . ]" 1
58 1 3 ILE HG13 1 7 PHE QD 1.800 . 5.000 5.011 5.007 5.018 0.018 23 0 "[ . 1 . 2 . ]" 1
59 1 3 ILE MG 1 4 LYS H 1.800 . 5.000 3.995 3.990 4.001 . 0 0 "[ . 1 . 2 . ]" 1
60 1 3 ILE MG 1 4 LYS HA 1.800 . 5.000 3.681 3.676 3.687 . 0 0 "[ . 1 . 2 . ]" 1
61 1 3 ILE MG 1 4 LYS QD 1.800 . 5.000 3.487 3.468 3.509 . 0 0 "[ . 1 . 2 . ]" 1
62 1 3 ILE MG 1 6 TRP HD1 1.800 . 5.000 3.974 3.961 3.988 . 0 0 "[ . 1 . 2 . ]" 1
63 1 3 ILE MG 1 6 TRP HZ2 1.800 . 5.000 2.258 2.228 2.281 . 0 0 "[ . 1 . 2 . ]" 1
64 1 3 ILE MG 1 7 PHE QE 1.800 . 5.000 3.834 3.816 3.866 . 0 0 "[ . 1 . 2 . ]" 1
65 1 3 ILE MG 1 7 PHE HZ 1.800 . 5.000 4.042 4.032 4.052 . 0 0 "[ . 1 . 2 . ]" 1
66 1 4 LYS H 1 4 LYS HG3 1.800 . 3.500 3.394 3.370 3.406 . 0 0 "[ . 1 . 2 . ]" 1
67 1 4 LYS H 1 5 ILE H 1.800 . 3.500 1.991 1.982 2.001 . 0 0 "[ . 1 . 2 . ]" 1
68 1 4 LYS H 1 5 ILE MD 1.800 . 5.000 4.088 4.071 4.102 . 0 0 "[ . 1 . 2 . ]" 1
69 1 4 LYS HA 1 4 LYS QD 1.800 . 3.500 2.834 2.828 2.839 . 0 0 "[ . 1 . 2 . ]" 1
70 1 4 LYS HA 1 4 LYS HG2 1.800 . 3.500 3.524 3.518 3.533 0.033 11 0 "[ . 1 . 2 . ]" 1
71 1 4 LYS HA 1 5 ILE H 1.800 . 3.500 3.515 3.509 3.518 0.018 4 0 "[ . 1 . 2 . ]" 1
72 1 4 LYS HA 1 6 TRP H 1.800 . 5.000 4.627 4.618 4.638 . 0 0 "[ . 1 . 2 . ]" 1
73 1 4 LYS HB2 1 4 LYS QE 1.800 . 3.500 3.102 3.067 3.134 . 0 0 "[ . 1 . 2 . ]" 1
74 1 4 LYS HB2 1 5 ILE H 1.800 . 5.000 2.763 2.747 2.790 . 0 0 "[ . 1 . 2 . ]" 1
75 1 4 LYS HB2 1 5 ILE HA 1.800 . 5.000 4.270 4.257 4.283 . 0 0 "[ . 1 . 2 . ]" 1
76 1 4 LYS HB2 1 6 TRP HD1 1.800 . 5.000 4.494 4.484 4.518 . 0 0 "[ . 1 . 2 . ]" 1
77 1 4 LYS HB3 1 4 LYS QE 1.800 . 3.500 1.797 1.777 1.816 0.023 17 0 "[ . 1 . 2 . ]" 1
78 1 4 LYS HB3 1 5 ILE H 1.800 . 5.000 3.927 3.917 3.938 . 0 0 "[ . 1 . 2 . ]" 1
79 1 4 LYS HB3 1 6 TRP HD1 1.800 . 5.000 5.051 5.044 5.072 0.072 11 0 "[ . 1 . 2 . ]" 1
80 1 4 LYS QD 1 5 ILE H 1.800 . 5.000 3.924 3.903 3.938 . 0 0 "[ . 1 . 2 . ]" 1
81 1 4 LYS QD 1 6 TRP HD1 1.800 . 5.000 4.429 4.424 4.434 . 0 0 "[ . 1 . 2 . ]" 1
82 1 4 LYS HE3 1 4 LYS HG2 1.800 . 3.500 3.608 3.577 3.636 0.136 7 0 "[ . 1 . 2 . ]" 1
83 1 4 LYS HE3 1 4 LYS HG3 1.800 . 3.500 2.617 2.558 2.672 . 0 0 "[ . 1 . 2 . ]" 1
84 1 4 LYS HG2 1 5 ILE HA 1.800 . 5.000 5.159 5.150 5.172 0.172 17 0 "[ . 1 . 2 . ]" 1
85 1 4 LYS HG2 1 6 TRP HD1 1.800 . 5.000 3.802 3.792 3.837 . 0 0 "[ . 1 . 2 . ]" 1
86 1 5 ILE H 1 5 ILE HB 1.800 . 3.500 3.675 3.670 3.678 0.178 2 0 "[ . 1 . 2 . ]" 1
87 1 5 ILE H 1 5 ILE MD 1.800 . 5.000 2.936 2.922 2.948 . 0 0 "[ . 1 . 2 . ]" 1
88 1 5 ILE H 1 5 ILE HG12 1.800 . 3.500 3.392 3.383 3.397 . 0 0 "[ . 1 . 2 . ]" 1
89 1 5 ILE H 1 5 ILE HG13 1.800 . 3.500 1.754 1.750 1.759 0.050 1 0 "[ . 1 . 2 . ]" 1
90 1 5 ILE H 1 6 TRP H 1.800 . 3.500 1.831 1.821 1.843 . 0 0 "[ . 1 . 2 . ]" 1
91 1 5 ILE HA 1 5 ILE MD 1.800 . 5.000 3.425 3.419 3.430 . 0 0 "[ . 1 . 2 . ]" 1
92 1 5 ILE HA 1 5 ILE HG13 1.800 . 3.500 3.620 3.618 3.622 0.122 11 0 "[ . 1 . 2 . ]" 1
93 1 5 ILE HA 1 6 TRP H 1.800 . 3.500 3.379 3.374 3.386 . 0 0 "[ . 1 . 2 . ]" 1
94 1 5 ILE HA 1 6 TRP HA 1.800 . 5.000 5.039 5.035 5.042 0.042 11 0 "[ . 1 . 2 . ]" 1
95 1 5 ILE HA 1 8 GLN H 1.800 . 3.500 3.612 3.606 3.617 0.117 24 0 "[ . 1 . 2 . ]" 1
96 1 5 ILE HA 1 8 GLN HB2 1.800 . 3.500 2.977 2.967 2.984 . 0 0 "[ . 1 . 2 . ]" 1
97 1 5 ILE HA 1 8 GLN HB3 1.800 . 3.500 1.940 1.932 1.948 . 0 0 "[ . 1 . 2 . ]" 1
98 1 5 ILE HA 1 8 GLN QG 1.800 . 3.500 1.905 1.878 1.937 . 0 0 "[ . 1 . 2 . ]" 1
99 1 5 ILE MD 1 6 TRP H 1.800 . 3.500 2.346 2.332 2.359 . 0 0 "[ . 1 . 2 . ]" 1
100 1 5 ILE MD 1 6 TRP HA 1.800 . 3.500 2.218 2.202 2.228 . 0 0 "[ . 1 . 2 . ]" 1
101 1 5 ILE MD 1 8 GLN HB3 1.800 . 5.000 4.056 4.046 4.065 . 0 0 "[ . 1 . 2 . ]" 1
102 1 5 ILE MD 1 8 GLN QG 1.800 . 5.000 3.610 3.604 3.623 . 0 0 "[ . 1 . 2 . ]" 1
103 1 5 ILE MD 1 9 ASN H 1.800 . 5.000 3.558 3.549 3.565 . 0 0 "[ . 1 . 2 . ]" 1
104 1 5 ILE MD 1 9 ASN HB2 1.800 . 5.000 3.122 3.111 3.136 . 0 0 "[ . 1 . 2 . ]" 1
105 1 5 ILE MD 1 9 ASN HB3 1.800 . 5.000 4.148 4.142 4.152 . 0 0 "[ . 1 . 2 . ]" 1
106 1 5 ILE MD 1 9 ASN HD22 1.800 . 5.000 2.276 2.261 2.289 . 0 0 "[ . 1 . 2 . ]" 1
107 1 5 ILE MG 1 9 ASN HD21 1.800 . 5.000 3.924 3.893 3.953 . 0 0 "[ . 1 . 2 . ]" 1
108 1 5 ILE MG 1 9 ASN HD22 1.800 . 5.000 3.536 3.514 3.568 . 0 0 "[ . 1 . 2 . ]" 1
109 1 6 TRP H 1 6 TRP HB2 1.800 . 3.500 3.430 3.428 3.431 . 0 0 "[ . 1 . 2 . ]" 1
110 1 6 TRP H 1 6 TRP HB3 1.800 . 3.500 2.251 2.245 2.254 . 0 0 "[ . 1 . 2 . ]" 1
111 1 6 TRP H 1 6 TRP HD1 1.800 . 3.500 1.724 1.719 1.730 0.081 4 0 "[ . 1 . 2 . ]" 1
112 1 6 TRP H 1 6 TRP HE3 1.800 . 5.000 5.213 5.209 5.217 0.217 11 0 "[ . 1 . 2 . ]" 1
113 1 6 TRP H 1 7 PHE H 1.800 . 3.500 3.732 3.722 3.741 0.241 26 0 "[ . 1 . 2 . ]" 1
114 1 6 TRP HA 1 6 TRP HB3 1.800 . 2.500 2.468 2.465 2.471 . 0 0 "[ . 1 . 2 . ]" 1
115 1 6 TRP HA 1 6 TRP HD1 1.800 . 5.000 3.994 3.990 3.998 . 0 0 "[ . 1 . 2 . ]" 1
116 1 6 TRP HA 1 6 TRP HE3 1.800 . 5.000 4.735 4.728 4.742 . 0 0 "[ . 1 . 2 . ]" 1
117 1 6 TRP HA 1 7 PHE H 1.800 . 3.500 3.420 3.415 3.426 . 0 0 "[ . 1 . 2 . ]" 1
118 1 6 TRP HA 1 9 ASN H 1.800 . 3.500 3.741 3.736 3.746 0.246 6 0 "[ . 1 . 2 . ]" 1
119 1 6 TRP HA 1 9 ASN HB2 1.800 . 5.000 3.371 3.354 3.390 . 0 0 "[ . 1 . 2 . ]" 1
120 1 6 TRP HA 1 9 ASN HB3 1.800 . 5.000 4.973 4.951 4.997 . 0 0 "[ . 1 . 2 . ]" 1
121 1 6 TRP HA 1 9 ASN HD21 1.800 . 5.000 4.082 4.045 4.107 . 0 0 "[ . 1 . 2 . ]" 1
122 1 6 TRP HA 1 9 ASN HD22 1.800 . 5.000 5.122 5.112 5.129 0.129 22 0 "[ . 1 . 2 . ]" 1
123 1 6 TRP HB2 1 6 TRP HE3 1.800 . 3.500 2.300 2.294 2.307 . 0 0 "[ . 1 . 2 . ]" 1
124 1 6 TRP HB2 1 7 PHE H 1.800 . 5.000 2.271 2.255 2.288 . 0 0 "[ . 1 . 2 . ]" 1
125 1 6 TRP HB2 1 7 PHE HA 1.800 . 5.000 4.305 4.297 4.312 . 0 0 "[ . 1 . 2 . ]" 1
126 1 6 TRP HB3 1 6 TRP HD1 1.800 . 3.500 3.115 3.112 3.118 . 0 0 "[ . 1 . 2 . ]" 1
127 1 6 TRP HB3 1 6 TRP HE3 1.800 . 3.500 3.633 3.631 3.635 0.135 11 0 "[ . 1 . 2 . ]" 1
128 1 6 TRP HB3 1 7 PHE H 1.800 . 5.000 3.321 3.316 3.324 . 0 0 "[ . 1 . 2 . ]" 1
129 1 6 TRP HD1 1 7 PHE H 1.800 . 5.000 3.442 3.421 3.472 . 0 0 "[ . 1 . 2 . ]" 1
130 1 6 TRP HD1 1 8 GLN HB3 1.800 . 5.000 3.211 3.198 3.231 . 0 0 "[ . 1 . 2 . ]" 1
131 1 6 TRP HE3 1 7 PHE H 1.800 . 3.500 2.631 2.607 2.646 . 0 0 "[ . 1 . 2 . ]" 1
132 1 6 TRP HE3 1 7 PHE HA 1.800 . 5.000 4.447 4.436 4.454 . 0 0 "[ . 1 . 2 . ]" 1
133 1 6 TRP HE3 1 7 PHE QB 1.800 . 3.500 2.698 2.691 2.703 . 0 0 "[ . 1 . 2 . ]" 1
134 1 6 TRP HE3 1 10 ARG QD 1.800 . 5.000 4.539 4.511 4.549 . 0 0 "[ . 1 . 2 . ]" 1
135 1 6 TRP HH2 1 7 PHE HZ 1.800 . 5.000 5.109 5.099 5.114 0.114 21 0 "[ . 1 . 2 . ]" 1
136 1 6 TRP HZ2 1 7 PHE QE 1.800 . 5.000 2.985 2.919 3.023 . 0 0 "[ . 1 . 2 . ]" 1
137 1 6 TRP HZ2 1 7 PHE HZ 1.800 . 5.000 3.128 3.102 3.146 . 0 0 "[ . 1 . 2 . ]" 1
138 1 7 PHE H 1 7 PHE QB 1.800 . 2.500 2.089 2.085 2.092 . 0 0 "[ . 1 . 2 . ]" 1
139 1 7 PHE H 1 7 PHE HD1 1.800 . 3.500 2.342 2.324 2.368 . 0 0 "[ . 1 . 2 . ]" 1
140 1 7 PHE HA 1 7 PHE QB 1.800 . 2.500 2.181 2.179 2.182 . 0 0 "[ . 1 . 2 . ]" 1
141 1 7 PHE HA 1 7 PHE QD 1.800 . 3.500 3.475 3.470 3.477 . 0 0 "[ . 1 . 2 . ]" 1
142 1 7 PHE HA 1 8 GLN H 1.800 . 3.500 3.398 3.390 3.406 . 0 0 "[ . 1 . 2 . ]" 1
143 1 7 PHE HA 1 8 GLN HA 1.800 . 5.000 4.824 4.819 4.831 . 0 0 "[ . 1 . 2 . ]" 1
144 1 7 PHE HA 1 10 ARG HB2 1.800 . 3.500 3.550 3.527 3.562 0.062 12 0 "[ . 1 . 2 . ]" 1
145 1 7 PHE HA 1 10 ARG QD 1.800 . 3.500 1.901 1.866 1.934 . 0 0 "[ . 1 . 2 . ]" 1
146 1 7 PHE HA 1 11 ARG H 1.800 . 5.000 3.828 3.805 3.850 . 0 0 "[ . 1 . 2 . ]" 1
147 1 7 PHE QB 1 7 PHE HE1 1.800 . 5.000 4.684 4.681 4.687 . 0 0 "[ . 1 . 2 . ]" 1
148 1 7 PHE QB 1 8 GLN H 1.800 . 5.000 3.735 3.730 3.740 . 0 0 "[ . 1 . 2 . ]" 1
149 1 7 PHE QD 1 8 GLN HA 1.800 . 5.000 3.341 3.312 3.361 . 0 0 "[ . 1 . 2 . ]" 1
150 1 7 PHE QD 1 8 GLN HB2 1.800 . 5.000 3.472 3.449 3.489 . 0 0 "[ . 1 . 2 . ]" 1
151 1 7 PHE QD 1 8 GLN HB3 1.800 . 5.000 2.778 2.771 2.794 . 0 0 "[ . 1 . 2 . ]" 1
152 1 7 PHE QD 1 10 ARG QG 1.800 . 5.000 4.073 4.052 4.089 . 0 0 "[ . 1 . 2 . ]" 1
153 1 7 PHE QD 1 11 ARG HG3 1.800 . 5.000 4.611 4.586 4.627 . 0 0 "[ . 1 . 2 . ]" 1
154 1 7 PHE HD1 1 9 ASN H 1.800 . 3.500 3.780 3.772 3.786 0.286 17 0 "[ . 1 . 2 . ]" 1
155 1 7 PHE QE 1 11 ARG HG3 1.800 . 5.000 4.988 4.973 5.013 0.013 11 0 "[ . 1 . 2 . ]" 1
156 1 8 GLN H 1 8 GLN HB2 1.800 . 3.500 3.105 3.101 3.111 . 0 0 "[ . 1 . 2 . ]" 1
157 1 8 GLN H 1 8 GLN HB3 1.800 . 3.500 1.930 1.927 1.935 . 0 0 "[ . 1 . 2 . ]" 1
158 1 8 GLN H 1 8 GLN QG 1.800 . 5.000 3.392 3.385 3.404 . 0 0 "[ . 1 . 2 . ]" 1
159 1 8 GLN HA 1 8 GLN HE21 1.800 . 5.000 4.083 3.912 4.116 . 0 0 "[ . 1 . 2 . ]" 1
160 1 8 GLN HA 1 8 GLN QG 1.800 . 3.500 3.293 3.278 3.299 . 0 0 "[ . 1 . 2 . ]" 1
161 1 8 GLN HA 1 11 ARG H 1.800 . 3.500 3.039 3.020 3.066 . 0 0 "[ . 1 . 2 . ]" 1
162 1 8 GLN HA 1 11 ARG HE 1.800 . 5.000 2.134 1.985 2.377 . 0 0 "[ . 1 . 2 . ]" 1
163 1 8 GLN HB2 1 8 GLN HE21 1.800 . 5.000 4.308 4.227 4.325 . 0 0 "[ . 1 . 2 . ]" 1
164 1 8 GLN HB2 1 8 GLN QG 1.800 . 2.500 2.378 2.375 2.391 . 0 0 "[ . 1 . 2 . ]" 1
165 1 8 GLN HB3 1 8 GLN HE21 1.800 . 5.000 4.460 4.420 4.469 . 0 0 "[ . 1 . 2 . ]" 1
166 1 8 GLN HB3 1 8 GLN QG 1.800 . 2.500 2.179 2.178 2.182 . 0 0 "[ . 1 . 2 . ]" 1
167 1 8 GLN HB3 1 9 ASN HA 1.800 . 5.000 5.013 5.003 5.017 0.017 25 0 "[ . 1 . 2 . ]" 1
168 1 8 GLN HE21 1 8 GLN HG3 1.800 . 3.500 2.226 2.217 2.228 . 0 0 "[ . 1 . 2 . ]" 1
169 1 8 GLN HE21 1 9 ASN HB2 1.800 . 5.000 4.983 4.966 5.011 0.011 23 0 "[ . 1 . 2 . ]" 1
170 1 8 GLN HE21 1 9 ASN HB3 1.800 . 5.000 5.090 5.080 5.116 0.116 23 0 "[ . 1 . 2 . ]" 1
171 1 8 GLN HE22 1 8 GLN HG3 1.800 . 3.500 3.502 3.495 3.503 0.003 12 0 "[ . 1 . 2 . ]" 1
172 1 8 GLN QG 1 11 ARG HB2 1.800 . 5.000 4.513 4.497 4.520 . 0 0 "[ . 1 . 2 . ]" 1
173 1 8 GLN QG 1 11 ARG HB3 1.800 . 5.000 4.515 4.479 4.528 . 0 0 "[ . 1 . 2 . ]" 1
174 1 8 GLN HG3 1 12 MET QB 1.800 . 5.000 4.162 4.147 4.253 . 0 0 "[ . 1 . 2 . ]" 1
175 1 9 ASN H 1 9 ASN HB2 1.800 . 3.500 2.100 2.093 2.110 . 0 0 "[ . 1 . 2 . ]" 1
176 1 9 ASN H 1 9 ASN HB3 1.800 . 3.500 3.445 3.440 3.453 . 0 0 "[ . 1 . 2 . ]" 1
177 1 9 ASN H 1 10 ARG H 1.800 . 3.500 2.342 2.333 2.356 . 0 0 "[ . 1 . 2 . ]" 1
178 1 9 ASN H 1 11 ARG HB3 1.800 . 5.000 5.002 4.992 5.006 0.006 1 0 "[ . 1 . 2 . ]" 1
179 1 9 ASN HA 1 9 ASN HB3 1.800 . 2.500 2.638 2.631 2.644 0.144 26 0 "[ . 1 . 2 . ]" 1
180 1 9 ASN HA 1 9 ASN HD21 1.800 . 5.000 3.079 3.045 3.123 . 0 0 "[ . 1 . 2 . ]" 1
181 1 9 ASN HA 1 9 ASN HD22 1.800 . 5.000 3.781 3.766 3.802 . 0 0 "[ . 1 . 2 . ]" 1
182 1 9 ASN HA 1 10 ARG H 1.800 . 3.500 3.405 3.397 3.422 . 0 0 "[ . 1 . 2 . ]" 1
183 1 9 ASN HA 1 10 ARG HB3 1.800 . 5.000 5.252 5.242 5.270 0.270 23 0 "[ . 1 . 2 . ]" 1
184 1 9 ASN HA 1 11 ARG H 1.800 . 5.000 3.736 3.692 3.758 . 0 0 "[ . 1 . 2 . ]" 1
185 1 9 ASN HA 1 11 ARG HB2 1.800 . 5.000 5.054 5.021 5.074 0.074 26 0 "[ . 1 . 2 . ]" 1
186 1 9 ASN HA 1 12 MET HA 1.800 . 5.000 5.243 5.213 5.254 0.254 26 0 "[ . 1 . 2 . ]" 1
187 1 9 ASN HA 1 12 MET QB 1.800 . 3.500 2.937 2.887 3.230 . 0 0 "[ . 1 . 2 . ]" 1
188 1 9 ASN HA 1 12 MET ME 1.800 . 5.000 3.547 1.846 4.076 . 0 0 "[ . 1 . 2 . ]" 1
189 1 9 ASN HA 1 12 MET HG2 1.800 . 5.000 2.556 1.773 2.726 0.027 23 0 "[ . 1 . 2 . ]" 1
190 1 9 ASN HA 1 12 MET HG3 1.800 . 5.000 3.942 3.213 4.067 . 0 0 "[ . 1 . 2 . ]" 1
191 1 9 ASN HA 1 13 LYS H 1.800 . 5.000 4.581 4.467 4.617 . 0 0 "[ . 1 . 2 . ]" 1
192 1 9 ASN HB2 1 9 ASN HD21 1.800 . 3.500 2.558 2.535 2.580 . 0 0 "[ . 1 . 2 . ]" 1
193 1 9 ASN HB2 1 10 ARG H 1.800 . 3.500 2.985 2.949 3.000 . 0 0 "[ . 1 . 2 . ]" 1
194 1 9 ASN HB2 1 10 ARG HA 1.800 . 5.000 4.907 4.883 4.925 . 0 0 "[ . 1 . 2 . ]" 1
195 1 9 ASN HB3 1 9 ASN HD21 1.800 . 3.500 3.577 3.576 3.580 0.080 23 0 "[ . 1 . 2 . ]" 1
196 1 9 ASN HB3 1 10 ARG H 1.800 . 3.500 3.614 3.596 3.629 0.129 9 0 "[ . 1 . 2 . ]" 1
197 1 10 ARG H 1 10 ARG HB2 1.800 . 3.500 3.464 3.450 3.470 . 0 0 "[ . 1 . 2 . ]" 1
198 1 10 ARG H 1 10 ARG HB3 1.800 . 3.500 2.107 2.084 2.119 . 0 0 "[ . 1 . 2 . ]" 1
199 1 10 ARG H 1 10 ARG QG 1.800 . 5.000 2.722 2.698 2.740 . 0 0 "[ . 1 . 2 . ]" 1
200 1 10 ARG HA 1 10 ARG HB2 1.800 . 2.500 2.304 2.301 2.307 . 0 0 "[ . 1 . 2 . ]" 1
201 1 10 ARG HA 1 10 ARG QD 1.800 . 5.000 4.481 4.472 4.493 . 0 0 "[ . 1 . 2 . ]" 1
202 1 10 ARG HA 1 10 ARG HE 1.800 . 5.000 4.428 4.174 4.883 . 0 0 "[ . 1 . 2 . ]" 1
203 1 10 ARG HA 1 10 ARG QG 1.800 . 3.500 3.191 3.187 3.197 . 0 0 "[ . 1 . 2 . ]" 1
204 1 10 ARG HA 1 11 ARG H 1.800 . 3.500 3.371 3.360 3.378 . 0 0 "[ . 1 . 2 . ]" 1
205 1 10 ARG HA 1 13 LYS H 1.800 . 3.500 3.556 3.541 3.601 0.101 23 0 "[ . 1 . 2 . ]" 1
206 1 10 ARG HA 1 13 LYS QB 1.800 . 3.500 2.999 2.954 3.048 . 0 0 "[ . 1 . 2 . ]" 1
207 1 10 ARG HA 1 13 LYS QD 1.800 . 5.000 4.357 4.296 4.479 . 0 0 "[ . 1 . 2 . ]" 1
208 1 10 ARG HA 1 13 LYS HG2 1.800 . 5.000 2.662 2.580 2.791 . 0 0 "[ . 1 . 2 . ]" 1
209 1 10 ARG HB2 1 10 ARG QD 1.800 . 3.500 2.752 2.732 2.784 . 0 0 "[ . 1 . 2 . ]" 1
210 1 10 ARG HB2 1 10 ARG HE 1.800 . 5.000 2.271 2.112 2.612 . 0 0 "[ . 1 . 2 . ]" 1
211 1 10 ARG HB3 1 10 ARG QD 1.800 . 3.500 2.349 2.335 2.364 . 0 0 "[ . 1 . 2 . ]" 1
212 1 10 ARG HB3 1 10 ARG HE 1.800 . 3.500 3.411 3.316 3.512 0.012 13 0 "[ . 1 . 2 . ]" 1
213 1 10 ARG HB3 1 11 ARG H 1.800 . 3.500 3.520 3.514 3.531 0.031 23 0 "[ . 1 . 2 . ]" 1
214 1 10 ARG QD 1 11 ARG H 1.800 . 5.000 4.494 4.476 4.515 . 0 0 "[ . 1 . 2 . ]" 1
215 1 10 ARG HD3 1 10 ARG HG3 1.800 . 2.500 2.577 2.561 2.590 0.090 24 0 "[ . 1 . 2 . ]" 1
216 1 10 ARG HE 1 10 ARG HG3 1.800 . 3.500 2.751 2.261 3.254 . 0 0 "[ . 1 . 2 . ]" 1
217 1 10 ARG QG 1 11 ARG H 1.800 . 3.500 2.654 2.625 2.684 . 0 0 "[ . 1 . 2 . ]" 1
218 1 10 ARG QG 1 11 ARG HA 1.800 . 3.500 3.266 3.252 3.278 . 0 0 "[ . 1 . 2 . ]" 1
219 1 10 ARG QG 1 11 ARG HE 1.800 . 5.000 4.291 4.274 4.328 . 0 0 "[ . 1 . 2 . ]" 1
220 1 11 ARG H 1 11 ARG HB2 1.800 . 3.500 2.051 2.041 2.075 . 0 0 "[ . 1 . 2 . ]" 1
221 1 11 ARG H 1 11 ARG HB3 1.800 . 3.500 2.880 2.874 2.892 . 0 0 "[ . 1 . 2 . ]" 1
222 1 11 ARG H 1 11 ARG HG2 1.800 . 5.000 4.382 4.364 4.391 . 0 0 "[ . 1 . 2 . ]" 1
223 1 11 ARG H 1 11 ARG HG3 1.800 . 5.000 3.992 3.981 4.011 . 0 0 "[ . 1 . 2 . ]" 1
224 1 11 ARG HA 1 11 ARG QD 1.800 . 5.000 3.987 3.975 3.994 . 0 0 "[ . 1 . 2 . ]" 1
225 1 11 ARG HA 1 11 ARG HE 1.800 . 5.000 4.327 4.316 4.345 . 0 0 "[ . 1 . 2 . ]" 1
226 1 11 ARG HA 1 11 ARG HG2 1.800 . 3.500 2.388 2.347 2.404 . 0 0 "[ . 1 . 2 . ]" 1
227 1 11 ARG HA 1 11 ARG HG3 1.800 . 3.500 2.617 2.597 2.661 . 0 0 "[ . 1 . 2 . ]" 1
228 1 11 ARG HA 1 13 LYS HG2 1.800 . 5.000 5.178 5.153 5.225 0.225 11 0 "[ . 1 . 2 . ]" 1
229 1 11 ARG HA 1 14 TRP H 1.800 . 5.000 4.824 4.783 4.859 . 0 0 "[ . 1 . 2 . ]" 1
230 1 11 ARG HA 1 14 TRP HB2 1.800 . 5.000 3.862 3.832 3.877 . 0 0 "[ . 1 . 2 . ]" 1
231 1 11 ARG HA 1 14 TRP HB3 1.800 . 5.000 5.139 5.117 5.180 0.180 6 0 "[ . 1 . 2 . ]" 1
232 1 11 ARG HA 1 14 TRP HD1 1.800 . 3.500 1.971 1.920 2.098 . 0 0 "[ . 1 . 2 . ]" 1
233 1 11 ARG HB2 1 11 ARG QD 1.800 . 3.500 2.960 2.900 3.051 . 0 0 "[ . 1 . 2 . ]" 1
234 1 11 ARG HB2 1 11 ARG HE 1.800 . 5.000 2.173 2.103 2.302 . 0 0 "[ . 1 . 2 . ]" 1
235 1 11 ARG HB2 1 12 MET HG2 1.800 . 5.000 5.001 4.548 5.065 0.065 8 0 "[ . 1 . 2 . ]" 1
236 1 11 ARG HB3 1 11 ARG QD 1.800 . 3.500 2.227 2.195 2.270 . 0 0 "[ . 1 . 2 . ]" 1
237 1 11 ARG HB3 1 11 ARG HE 1.800 . 5.000 3.159 3.037 3.314 . 0 0 "[ . 1 . 2 . ]" 1
238 1 11 ARG HB3 1 12 MET HG2 1.800 . 5.000 4.606 4.144 4.667 . 0 0 "[ . 1 . 2 . ]" 1
239 1 11 ARG HD3 1 11 ARG HG2 1.800 . 2.500 2.414 2.377 2.468 . 0 0 "[ . 1 . 2 . ]" 1
240 1 11 ARG HD3 1 11 ARG HG3 1.800 . 2.500 2.548 2.502 2.583 0.083 26 0 "[ . 1 . 2 . ]" 1
241 1 11 ARG HE 1 11 ARG HG2 1.800 . 3.500 3.522 3.509 3.530 0.030 18 0 "[ . 1 . 2 . ]" 1
242 1 11 ARG HE 1 11 ARG HG3 1.800 . 3.500 2.320 2.253 2.342 . 0 0 "[ . 1 . 2 . ]" 1
243 1 11 ARG HG2 1 12 MET HA 1.800 . 5.000 5.081 5.073 5.090 0.090 8 0 "[ . 1 . 2 . ]" 1
244 1 12 MET H 1 12 MET QB 1.800 . 3.500 2.212 2.173 2.475 . 0 0 "[ . 1 . 2 . ]" 1
245 1 12 MET H 1 12 MET HG2 1.800 . 3.500 2.202 1.872 2.251 . 0 0 "[ . 1 . 2 . ]" 1
246 1 12 MET H 1 12 MET HG3 1.800 . 3.500 3.455 2.867 3.551 0.051 10 0 "[ . 1 . 2 . ]" 1
247 1 12 MET H 1 13 LYS H 1.800 . 3.500 2.639 2.619 2.736 . 0 0 "[ . 1 . 2 . ]" 1
248 1 12 MET HA 1 12 MET HG2 1.800 . 3.500 3.656 3.639 3.763 0.263 22 0 "[ . 1 . 2 . ]" 1
249 1 12 MET HA 1 12 MET HG3 1.800 . 3.500 3.613 3.560 3.636 0.136 8 0 "[ . 1 . 2 . ]" 1
250 1 12 MET HA 1 13 LYS H 1.800 . 3.500 3.440 3.428 3.472 . 0 0 "[ . 1 . 2 . ]" 1
251 1 12 MET HA 1 14 TRP HD1 1.800 . 5.000 5.072 5.061 5.094 0.094 2 0 "[ . 1 . 2 . ]" 1
252 1 12 MET QB 1 13 LYS H 1.800 . 3.500 3.404 3.383 3.447 . 0 0 "[ . 1 . 2 . ]" 1
253 1 12 MET HG3 1 13 LYS HA 1.800 . 5.000 3.277 3.202 3.652 . 0 0 "[ . 1 . 2 . ]" 1
254 1 13 LYS H 1 13 LYS HB3 1.800 . 3.500 3.517 3.464 3.529 0.029 25 0 "[ . 1 . 2 . ]" 1
255 1 13 LYS H 1 13 LYS QD 1.800 . 3.500 2.914 2.795 3.482 . 0 0 "[ . 1 . 2 . ]" 1
256 1 13 LYS H 1 13 LYS HG2 1.800 . 3.500 1.836 1.793 1.859 0.007 23 0 "[ . 1 . 2 . ]" 1
257 1 13 LYS H 1 13 LYS HG3 1.800 . 3.500 3.390 3.303 3.417 . 0 0 "[ . 1 . 2 . ]" 1
258 1 13 LYS HA 1 13 LYS QD 1.800 . 2.500 1.844 1.714 1.864 0.086 6 0 "[ . 1 . 2 . ]" 1
259 1 13 LYS HA 1 13 LYS QE 1.800 . 3.500 3.214 2.352 3.321 . 0 0 "[ . 1 . 2 . ]" 1
260 1 13 LYS HA 1 13 LYS HG2 1.800 . 3.500 3.227 3.069 3.289 . 0 0 "[ . 1 . 2 . ]" 1
261 1 13 LYS HA 1 13 LYS HG3 1.800 . 3.500 3.687 3.672 3.711 0.211 6 0 "[ . 1 . 2 . ]" 1
262 1 13 LYS HA 1 14 TRP HD1 1.800 . 5.000 5.080 5.058 5.094 0.094 13 0 "[ . 1 . 2 . ]" 1
263 1 13 LYS QB 1 13 LYS HE3 1.800 . 3.500 2.478 2.312 3.783 0.283 6 0 "[ . 1 . 2 . ]" 1
264 1 13 LYS QB 1 14 TRP HA 1.800 . 5.000 4.194 4.133 4.208 . 0 0 "[ . 1 . 2 . ]" 1
265 1 13 LYS HD3 1 13 LYS HE3 1.800 . 2.500 2.697 2.620 2.706 0.206 11 0 "[ . 1 . 2 . ]" 1
266 1 13 LYS HD3 1 13 LYS HG2 1.800 . 2.500 2.459 2.418 2.838 0.338 23 0 "[ . 1 . 2 . ]" 1
267 1 13 LYS HD3 1 13 LYS HG3 1.800 . 2.500 2.527 2.490 2.899 0.399 6 0 "[ . 1 . 2 . ]" 1
268 1 13 LYS HE3 1 13 LYS HG2 1.800 . 3.500 3.402 1.888 3.527 0.027 17 0 "[ . 1 . 2 . ]" 1
269 1 13 LYS HE3 1 13 LYS HG3 1.800 . 3.500 2.315 2.220 3.406 . 0 0 "[ . 1 . 2 . ]" 1
270 1 13 LYS HG2 1 14 TRP HD1 1.800 . 5.000 5.095 5.074 5.142 0.142 23 0 "[ . 1 . 2 . ]" 1
271 1 14 TRP H 1 14 TRP HB2 1.800 . 3.500 2.096 2.082 2.118 . 0 0 "[ . 1 . 2 . ]" 1
272 1 14 TRP H 1 14 TRP HB3 1.800 . 3.500 3.213 3.200 3.230 . 0 0 "[ . 1 . 2 . ]" 1
273 1 14 TRP H 1 14 TRP HD1 1.800 . 3.500 3.575 3.551 3.611 0.111 26 0 "[ . 1 . 2 . ]" 1
274 1 14 TRP H 1 14 TRP HE3 1.800 . 5.000 5.262 5.242 5.278 0.278 2 0 "[ . 1 . 2 . ]" 1
275 1 14 TRP HA 1 15 LYS H 1.800 . 3.500 2.678 2.605 2.706 . 0 0 "[ . 1 . 2 . ]" 1
276 1 14 TRP QB 1 14 TRP HZ3 1.800 . 5.000 4.441 4.435 4.450 . 0 0 "[ . 1 . 2 . ]" 1
277 1 14 TRP HB2 1 14 TRP HD1 1.800 . 3.500 2.757 2.732 2.770 . 0 0 "[ . 1 . 2 . ]" 1
278 1 14 TRP HB2 1 14 TRP HE3 1.800 . 3.500 3.704 3.696 3.722 0.222 26 0 "[ . 1 . 2 . ]" 1
279 1 14 TRP HB2 1 15 LYS H 1.800 . 3.500 3.456 3.427 3.492 . 0 0 "[ . 1 . 2 . ]" 1
280 1 14 TRP HB3 1 14 TRP HD1 1.800 . 3.500 3.799 3.789 3.804 0.304 11 0 "[ . 1 . 2 . ]" 1
281 1 14 TRP HB3 1 14 TRP HE3 1.800 . 3.500 2.135 2.131 2.148 . 0 0 "[ . 1 . 2 . ]" 1
282 1 14 TRP HB3 1 15 LYS H 1.800 . 3.500 1.929 1.886 1.984 . 0 0 "[ . 1 . 2 . ]" 1
283 1 14 TRP HD1 1 15 LYS H 1.800 . 5.000 4.867 4.838 4.900 . 0 0 "[ . 1 . 2 . ]" 1
284 1 14 TRP HD1 1 15 LYS QD 1.800 . 5.000 4.486 4.464 4.517 . 0 0 "[ . 1 . 2 . ]" 1
285 1 14 TRP HE3 1 15 LYS H 1.800 . 3.500 1.853 1.791 1.888 0.009 26 0 "[ . 1 . 2 . ]" 1
286 1 14 TRP HE3 1 15 LYS HA 1.800 . 5.000 4.549 4.376 4.614 . 0 0 "[ . 1 . 2 . ]" 1
287 1 14 TRP HE3 1 15 LYS HB2 1.800 . 5.000 4.393 4.352 4.438 . 0 0 "[ . 1 . 2 . ]" 1
288 1 14 TRP HE3 1 15 LYS HB3 1.800 . 5.000 4.943 4.909 4.961 . 0 0 "[ . 1 . 2 . ]" 1
289 1 14 TRP HE3 1 15 LYS QD 1.800 . 5.000 3.120 3.007 3.183 . 0 0 "[ . 1 . 2 . ]" 1
290 1 14 TRP HE3 1 15 LYS QG 1.800 . 5.000 2.330 2.221 2.456 . 0 0 "[ . 1 . 2 . ]" 1
291 1 14 TRP HZ2 1 16 LYS QD 1.800 . 5.000 4.586 4.438 4.660 . 0 0 "[ . 1 . 2 . ]" 1
292 1 14 TRP HZ3 1 15 LYS HB2 1.800 . 5.000 5.079 5.074 5.091 0.091 25 0 "[ . 1 . 2 . ]" 1
293 1 14 TRP HZ3 1 15 LYS QD 1.800 . 5.000 4.296 4.209 4.348 . 0 0 "[ . 1 . 2 . ]" 1
294 1 14 TRP HZ3 1 15 LYS QG 1.800 . 5.000 3.017 2.964 3.062 . 0 0 "[ . 1 . 2 . ]" 1
295 1 15 LYS H 1 15 LYS HB3 1.800 . 3.500 3.469 3.460 3.478 . 0 0 "[ . 1 . 2 . ]" 1
296 1 15 LYS H 1 15 LYS QD 1.800 . 5.000 2.096 2.072 2.106 . 0 0 "[ . 1 . 2 . ]" 1
297 1 15 LYS H 1 15 LYS QG 1.800 . 3.500 1.900 1.876 1.971 . 0 0 "[ . 1 . 2 . ]" 1
298 1 15 LYS H 1 16 LYS HA 1.800 . 5.000 4.338 4.144 4.445 . 0 0 "[ . 1 . 2 . ]" 1
299 1 15 LYS HA 1 15 LYS QD 1.800 . 3.500 3.006 2.978 3.064 . 0 0 "[ . 1 . 2 . ]" 1
300 1 15 LYS HA 1 15 LYS QE 1.800 . 5.000 4.554 4.530 4.604 . 0 0 "[ . 1 . 2 . ]" 1
301 1 15 LYS HA 1 15 LYS QG 1.800 . 5.000 3.465 3.458 3.470 . 0 0 "[ . 1 . 2 . ]" 1
302 1 15 LYS HB2 1 15 LYS QE 1.800 . 5.000 3.764 3.722 3.802 . 0 0 "[ . 1 . 2 . ]" 1
303 1 15 LYS HB3 1 15 LYS QE 1.800 . 5.000 2.931 2.846 2.977 . 0 0 "[ . 1 . 2 . ]" 1
304 1 15 LYS HE3 1 15 LYS HG3 1.800 . 3.500 3.307 3.113 3.499 . 0 0 "[ . 1 . 2 . ]" 1
305 1 15 LYS QG 1 16 LYS HA 1.800 . 5.000 4.215 4.170 4.247 . 0 0 "[ . 1 . 2 . ]" 1
306 1 16 LYS H 1 16 LYS HG2 1.800 . 5.000 3.573 1.810 4.343 . 0 0 "[ . 1 . 2 . ]" 1
307 1 16 LYS H 1 16 LYS HG3 1.800 . 3.500 3.496 3.164 3.559 0.059 10 0 "[ . 1 . 2 . ]" 1
308 1 16 LYS HA 1 16 LYS QD 1.800 . 3.500 2.896 1.964 3.319 . 0 0 "[ . 1 . 2 . ]" 1
309 1 16 LYS HA 1 16 LYS HG2 1.800 . 3.500 3.183 2.847 3.235 . 0 0 "[ . 1 . 2 . ]" 1
310 1 16 LYS HA 1 16 LYS HG3 1.800 . 3.500 2.469 1.925 3.731 0.231 26 0 "[ . 1 . 2 . ]" 1
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