NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
382279 |
1jem   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1jem
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 395
_Distance_constraint_stats_list.Viol_count 301
_Distance_constraint_stats_list.Viol_total 241.119
_Distance_constraint_stats_list.Viol_max 0.124
_Distance_constraint_stats_list.Viol_rms 0.0074
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0010
_Distance_constraint_stats_list.Viol_average_violations_only 0.0320
_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 ALA 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 2 GLN 0.856 0.055 3 0 "[ . 1 . 2 .]"
1 3 LYS 0.977 0.055 3 0 "[ . 1 . 2 .]"
1 4 THR 0.018 0.011 17 0 "[ . 1 . 2 .]"
1 5 PHE 0.264 0.029 19 0 "[ . 1 . 2 .]"
1 6 LYS 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 7 VAL 0.217 0.025 13 0 "[ . 1 . 2 .]"
1 8 THR 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 9 ALA 0.979 0.060 3 0 "[ . 1 . 2 .]"
1 10 ASP 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 12 GLY 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 13 ILE 0.196 0.038 19 0 "[ . 1 . 2 .]"
1 15 ALA 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 16 ARG 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 17 PRO 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 18 ALA 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 19 THR 0.102 0.018 6 0 "[ . 1 . 2 .]"
1 20 VAL 1.824 0.099 17 0 "[ . 1 . 2 .]"
1 21 LEU 1.824 0.099 17 0 "[ . 1 . 2 .]"
1 22 VAL 0.000 0.000 20 0 "[ . 1 . 2 .]"
1 23 GLN 0.000 0.000 20 0 "[ . 1 . 2 .]"
1 24 THR 0.047 0.030 22 0 "[ . 1 . 2 .]"
1 25 ALA 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 26 SER 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 27 LYS 0.105 0.039 16 0 "[ . 1 . 2 .]"
1 28 TYR 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 29 ASP 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 30 ALA 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 31 ASP 0.008 0.006 3 0 "[ . 1 . 2 .]"
1 32 VAL 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 33 ASN 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 34 LEU 0.287 0.042 2 0 "[ . 1 . 2 .]"
1 35 GLU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 36 TYR 0.221 0.057 21 0 "[ . 1 . 2 .]"
1 37 ASN 0.214 0.057 21 0 "[ . 1 . 2 .]"
1 38 GLY 1.181 0.106 21 0 "[ . 1 . 2 .]"
1 39 LYS 0.027 0.016 12 0 "[ . 1 . 2 .]"
1 40 THR 0.012 0.006 18 0 "[ . 1 . 2 .]"
1 41 VAL 0.580 0.051 8 0 "[ . 1 . 2 .]"
1 42 ASN 0.580 0.051 8 0 "[ . 1 . 2 .]"
1 43 LEU 0.287 0.042 2 0 "[ . 1 . 2 .]"
1 44 LYS 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 45 SER 1.633 0.086 5 0 "[ . 1 . 2 .]"
1 46 ILE 1.633 0.086 5 0 "[ . 1 . 2 .]"
1 47 MET 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 48 GLY 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 49 VAL 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 50 VAL 0.060 0.060 12 0 "[ . 1 . 2 .]"
1 51 SER 0.060 0.060 12 0 "[ . 1 . 2 .]"
1 52 LEU 0.018 0.013 25 0 "[ . 1 . 2 .]"
1 53 GLY 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 54 ILE 0.018 0.013 25 0 "[ . 1 . 2 .]"
1 55 ALA 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 56 LYS 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 57 GLY 0.217 0.025 13 0 "[ . 1 . 2 .]"
1 58 ALA 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 59 GLU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 60 ILE 0.202 0.023 24 0 "[ . 1 . 2 .]"
1 61 THR 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 62 ILE 0.542 0.124 2 0 "[ . 1 . 2 .]"
1 63 SER 0.290 0.124 2 0 "[ . 1 . 2 .]"
1 64 ALA 0.093 0.035 18 0 "[ . 1 . 2 .]"
1 65 SER 0.008 0.006 3 0 "[ . 1 . 2 .]"
1 66 GLY 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 67 ALA 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 68 ASP 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 69 GLU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 70 ASN 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 71 ASP 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 72 ALA 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 73 LEU 0.116 0.022 16 0 "[ . 1 . 2 .]"
1 74 ASN 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 75 ALA 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 76 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 77 GLU 0.116 0.022 16 0 "[ . 1 . 2 .]"
1 78 GLU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 79 THR 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 80 MET 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 81 LYS 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 82 SER 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 83 GLU 0.185 0.024 6 0 "[ . 1 . 2 .]"
1 84 GLY 0.016 0.008 14 0 "[ . 1 . 2 .]"
1 85 LEU 0.185 0.024 6 0 "[ . 1 . 2 .]"
1 86 GLY 0.016 0.008 14 0 "[ . 1 . 2 .]"
1 87 GLU 0.007 0.007 19 0 "[ . 1 . 2 .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 ALA HA 1 2 GLN H 1.800 . 3.850 2.842 2.178 3.590 . 0 0 "[ . 1 . 2 .]" 1
2 1 1 ALA MB 1 2 GLN H 1.800 . 6.000 3.391 2.260 3.721 . 0 0 "[ . 1 . 2 .]" 1
3 1 2 GLN H 1 73 LEU MD2 1.800 . 6.000 3.651 2.582 4.547 . 0 0 "[ . 1 . 2 .]" 1
4 1 2 GLN H 1 2 GLN HB3 1.800 . 3.850 3.115 2.569 3.665 . 0 0 "[ . 1 . 2 .]" 1
5 1 3 LYS H 1 62 ILE H 1.800 . 3.850 3.714 3.331 3.874 0.024 14 0 "[ . 1 . 2 .]" 1
6 1 3 LYS H 1 73 LEU MD2 1.800 . 6.000 4.357 3.710 4.967 . 0 0 "[ . 1 . 2 .]" 1
7 1 3 LYS H 1 62 ILE MD 1.800 . 6.000 4.766 4.246 4.999 . 0 0 "[ . 1 . 2 .]" 1
8 1 3 LYS H 1 62 ILE MG 1.800 . 4.350 3.654 3.641 3.666 . 0 0 "[ . 1 . 2 .]" 1
9 1 3 LYS H 1 3 LYS HB3 1.800 . 3.850 3.273 2.788 3.787 . 0 0 "[ . 1 . 2 .]" 1
10 1 3 LYS H 1 3 LYS HB2 1.800 . 3.850 2.909 2.641 3.275 . 0 0 "[ . 1 . 2 .]" 1
11 1 2 GLN HB2 1 3 LYS H 1.800 . 3.850 2.735 2.642 2.814 . 0 0 "[ . 1 . 2 .]" 1
12 1 2 GLN HB3 1 3 LYS H 1.800 . 3.850 3.884 3.859 3.905 0.055 3 0 "[ . 1 . 2 .]" 1
13 1 3 LYS HA 1 4 THR H 1.800 . 2.850 2.300 2.190 2.473 . 0 0 "[ . 1 . 2 .]" 1
14 1 4 THR H 1 4 THR HB 1.800 . 2.850 2.645 2.557 2.752 . 0 0 "[ . 1 . 2 .]" 1
15 1 3 LYS HB2 1 4 THR H 1.800 . 4.500 4.213 3.917 4.502 0.002 2 0 "[ . 1 . 2 .]" 1
16 1 3 LYS HB3 1 4 THR H 1.800 . 3.850 3.419 2.802 3.861 0.011 17 0 "[ . 1 . 2 .]" 1
17 1 4 THR H 1 4 THR MG 1.800 . 5.000 3.836 3.807 3.902 . 0 0 "[ . 1 . 2 .]" 1
18 1 5 PHE H 1 60 ILE H 1.800 . 3.850 3.645 3.289 3.862 0.012 14 0 "[ . 1 . 2 .]" 1
19 1 5 PHE H 1 5 PHE QD 1.800 . 3.850 2.719 2.271 3.271 . 0 0 "[ . 1 . 2 .]" 1
20 1 4 THR HA 1 5 PHE H 1.800 . 2.850 2.269 2.179 2.450 . 0 0 "[ . 1 . 2 .]" 1
21 1 4 THR HB 1 5 PHE H 1.800 . 4.500 3.900 3.370 4.259 . 0 0 "[ . 1 . 2 .]" 1
22 1 5 PHE H 1 5 PHE HB3 1.800 . 3.850 3.779 3.657 3.879 0.029 19 0 "[ . 1 . 2 .]" 1
23 1 5 PHE H 1 5 PHE HB2 1.800 . 3.850 2.613 2.414 2.785 . 0 0 "[ . 1 . 2 .]" 1
24 1 5 PHE H 1 60 ILE HG13 1.800 . 3.850 2.700 2.375 3.136 . 0 0 "[ . 1 . 2 .]" 1
25 1 4 THR MG 1 5 PHE H 1.800 . 5.000 2.325 1.951 2.885 . 0 0 "[ . 1 . 2 .]" 1
26 1 5 PHE H 1 60 ILE HG12 1.800 . 3.850 3.835 3.652 3.873 0.023 24 0 "[ . 1 . 2 .]" 1
27 1 5 PHE H 1 60 ILE MD 1.800 . 6.000 4.047 3.709 4.508 . 0 0 "[ . 1 . 2 .]" 1
28 1 6 LYS H 1 87 GLU H 1.800 . 3.850 3.113 2.225 3.810 . 0 0 "[ . 1 . 2 .]" 1
29 1 5 PHE QD 1 6 LYS H 1.800 . 3.850 3.779 3.592 3.817 . 0 0 "[ . 1 . 2 .]" 1
30 1 5 PHE HA 1 6 LYS H 1.800 . 2.850 2.371 2.257 2.535 . 0 0 "[ . 1 . 2 .]" 1
31 1 5 PHE HB3 1 6 LYS H 1.800 . 3.850 2.662 2.267 3.003 . 0 0 "[ . 1 . 2 .]" 1
32 1 6 LYS H 1 6 LYS QB 1.800 . 3.850 2.417 2.227 2.602 . 0 0 "[ . 1 . 2 .]" 1
33 1 6 LYS H 1 6 LYS QD 1.800 . 5.500 4.365 3.836 4.766 . 0 0 "[ . 1 . 2 .]" 1
34 1 4 THR MG 1 6 LYS H 1.800 . 6.000 4.899 4.634 5.003 . 0 0 "[ . 1 . 2 .]" 1
35 1 7 VAL H 1 58 ALA H 1.800 . 4.500 3.424 2.977 3.780 . 0 0 "[ . 1 . 2 .]" 1
36 1 7 VAL H 1 59 GLU HA 1.800 . 4.500 3.106 2.654 3.474 . 0 0 "[ . 1 . 2 .]" 1
37 1 6 LYS HA 1 7 VAL H 1.800 . 2.850 2.195 2.172 2.235 . 0 0 "[ . 1 . 2 .]" 1
38 1 7 VAL H 1 7 VAL HB 1.800 . 2.850 2.624 2.566 2.713 . 0 0 "[ . 1 . 2 .]" 1
39 1 7 VAL H 1 58 ALA MB 1.800 . 5.000 3.825 3.326 4.176 . 0 0 "[ . 1 . 2 .]" 1
40 1 6 LYS QD 1 7 VAL H 1.800 . 3.850 3.182 2.215 3.459 . 0 0 "[ . 1 . 2 .]" 1
41 1 7 VAL H 1 7 VAL MG1 1.800 . 5.000 3.800 3.768 3.819 . 0 0 "[ . 1 . 2 .]" 1
42 1 7 VAL H 1 7 VAL MG2 1.800 . 3.350 2.136 1.961 2.328 . 0 0 "[ . 1 . 2 .]" 1
43 1 8 THR H 1 9 ALA H 1.800 . 2.850 2.120 1.977 2.457 . 0 0 "[ . 1 . 2 .]" 1
44 1 8 THR H 1 86 GLY HA3 1.800 . 3.850 3.314 2.277 3.848 . 0 0 "[ . 1 . 2 .]" 1
45 1 8 THR H 1 86 GLY HA2 1.800 . 3.850 2.574 2.017 3.227 . 0 0 "[ . 1 . 2 .]" 1
46 1 8 THR H 1 9 ALA MB 1.800 . 6.000 3.654 3.513 3.830 . 0 0 "[ . 1 . 2 .]" 1
47 1 8 THR H 1 8 THR MG 1.800 . 5.000 3.944 3.876 4.016 . 0 0 "[ . 1 . 2 .]" 1
48 1 7 VAL MG1 1 8 THR H 1.800 . 6.000 2.889 2.300 3.236 . 0 0 "[ . 1 . 2 .]" 1
49 1 7 VAL MG2 1 8 THR H 1.800 . 6.000 4.233 4.114 4.289 . 0 0 "[ . 1 . 2 .]" 1
50 1 9 ALA H 1 9 ALA HA 1.800 . 2.850 2.887 2.835 2.910 0.060 3 0 "[ . 1 . 2 .]" 1
51 1 9 ALA H 1 9 ALA MB 1.800 . 4.350 2.204 2.102 2.272 . 0 0 "[ . 1 . 2 .]" 1
52 1 8 THR MG 1 9 ALA H 1.800 . 6.000 4.233 4.048 4.363 . 0 0 "[ . 1 . 2 .]" 1
53 1 7 VAL MG1 1 9 ALA H 1.800 . 4.350 2.527 2.128 2.894 . 0 0 "[ . 1 . 2 .]" 1
54 1 7 VAL MG2 1 9 ALA H 1.800 . 6.000 4.905 4.811 5.015 . 0 0 "[ . 1 . 2 .]" 1
55 1 9 ALA H 1 85 LEU MD2 1.800 . 6.000 4.769 4.280 5.002 . 0 0 "[ . 1 . 2 .]" 1
56 1 9 ALA MB 1 10 ASP H 1.800 . 6.000 2.822 2.551 3.016 . 0 0 "[ . 1 . 2 .]" 1
57 1 12 GLY H 1 12 GLY HA2 1.800 . 2.850 2.415 2.343 2.475 . 0 0 "[ . 1 . 2 .]" 1
58 1 9 ALA MB 1 12 GLY H 1.800 . 5.000 2.182 1.976 2.607 . 0 0 "[ . 1 . 2 .]" 1
59 1 7 VAL MG1 1 12 GLY H 1.800 . 6.000 4.271 3.738 4.958 . 0 0 "[ . 1 . 2 .]" 1
60 1 13 ILE H 1 55 ALA HA 1.800 . 5.500 3.742 3.182 4.420 . 0 0 "[ . 1 . 2 .]" 1
61 1 12 GLY HA3 1 13 ILE H 1.800 . 2.850 2.308 2.187 2.456 . 0 0 "[ . 1 . 2 .]" 1
62 1 12 GLY HA2 1 13 ILE H 1.800 . 3.850 2.982 2.777 3.216 . 0 0 "[ . 1 . 2 .]" 1
63 1 13 ILE H 1 13 ILE HB 1.800 . 3.850 2.674 2.538 2.825 . 0 0 "[ . 1 . 2 .]" 1
64 1 13 ILE H 1 54 ILE HB 1.800 . 3.850 2.381 1.988 2.901 . 0 0 "[ . 1 . 2 .]" 1
65 1 13 ILE H 1 13 ILE HG13 1.800 . 3.850 2.878 2.385 3.886 0.036 20 0 "[ . 1 . 2 .]" 1
66 1 13 ILE H 1 13 ILE HG12 1.800 . 3.850 3.460 2.327 3.888 0.038 19 0 "[ . 1 . 2 .]" 1
67 1 13 ILE H 1 13 ILE MD 1.800 . 5.000 3.684 3.099 4.025 . 0 0 "[ . 1 . 2 .]" 1
68 1 13 ILE H 1 54 ILE MG 1.800 . 6.000 2.948 2.311 3.651 . 0 0 "[ . 1 . 2 .]" 1
69 1 15 ALA H 1 15 ALA MB 1.800 . 4.350 2.106 2.075 2.203 . 0 0 "[ . 1 . 2 .]" 1
70 1 15 ALA HA 1 16 ARG H 1.800 . 4.500 3.591 3.547 3.615 . 0 0 "[ . 1 . 2 .]" 1
71 1 16 ARG H 1 17 PRO HD3 1.800 . 3.850 3.082 2.938 3.224 . 0 0 "[ . 1 . 2 .]" 1
72 1 16 ARG H 1 17 PRO HD2 1.800 . 3.850 2.318 2.164 2.415 . 0 0 "[ . 1 . 2 .]" 1
73 1 15 ALA MB 1 16 ARG H 1.800 . 5.000 2.620 2.465 2.870 . 0 0 "[ . 1 . 2 .]" 1
74 1 16 ARG H 1 16 ARG HB2 1.800 . 2.850 2.183 2.112 2.496 . 0 0 "[ . 1 . 2 .]" 1
75 1 17 PRO HA 1 18 ALA H 1.800 . 4.500 3.485 3.446 3.509 . 0 0 "[ . 1 . 2 .]" 1
76 1 15 ALA HA 1 18 ALA H 1.800 . 4.500 3.389 3.322 3.474 . 0 0 "[ . 1 . 2 .]" 1
77 1 17 PRO HD3 1 18 ALA H 1.800 . 5.500 3.828 3.734 3.937 . 0 0 "[ . 1 . 2 .]" 1
78 1 17 PRO HD2 1 18 ALA H 1.800 . 4.500 2.586 2.420 2.776 . 0 0 "[ . 1 . 2 .]" 1
79 1 17 PRO HG3 1 18 ALA H 1.800 . 5.500 4.277 4.156 4.454 . 0 0 "[ . 1 . 2 .]" 1
80 1 17 PRO HG2 1 18 ALA H 1.800 . 3.850 2.995 2.849 3.194 . 0 0 "[ . 1 . 2 .]" 1
81 1 17 PRO HB2 1 18 ALA H 1.800 . 3.850 3.590 3.477 3.741 . 0 0 "[ . 1 . 2 .]" 1
82 1 18 ALA H 1 18 ALA MB 1.800 . 4.350 2.223 2.081 2.279 . 0 0 "[ . 1 . 2 .]" 1
83 1 13 ILE MG 1 18 ALA H 1.800 . 5.000 3.951 3.675 4.162 . 0 0 "[ . 1 . 2 .]" 1
84 1 18 ALA H 1 46 ILE MG 1.800 . 5.000 3.912 3.682 4.170 . 0 0 "[ . 1 . 2 .]" 1
85 1 19 THR H 1 20 VAL H 1.800 . 3.850 2.340 2.277 2.417 . 0 0 "[ . 1 . 2 .]" 1
86 1 16 ARG HA 1 19 THR H 1.800 . 4.500 3.731 3.601 3.797 . 0 0 "[ . 1 . 2 .]" 1
87 1 19 THR H 1 19 THR HB 1.800 . 2.850 2.836 2.678 2.868 0.018 6 0 "[ . 1 . 2 .]" 1
88 1 19 THR H 1 46 ILE MG 1.800 . 4.350 3.341 3.034 3.661 . 0 0 "[ . 1 . 2 .]" 1
89 1 18 ALA MB 1 19 THR H 1.800 . 4.350 2.884 2.717 2.974 . 0 0 "[ . 1 . 2 .]" 1
90 1 20 VAL H 1 21 LEU H 1.800 . 3.850 2.501 2.449 2.619 . 0 0 "[ . 1 . 2 .]" 1
91 1 19 THR HB 1 20 VAL H 1.800 . 3.850 2.870 2.784 2.971 . 0 0 "[ . 1 . 2 .]" 1
92 1 17 PRO HA 1 20 VAL H 1.800 . 3.850 3.258 3.196 3.368 . 0 0 "[ . 1 . 2 .]" 1
93 1 19 THR HA 1 20 VAL H 1.800 . 4.500 3.511 3.500 3.521 . 0 0 "[ . 1 . 2 .]" 1
94 1 20 VAL H 1 20 VAL HB 1.800 . 3.850 2.621 2.574 2.682 . 0 0 "[ . 1 . 2 .]" 1
95 1 20 VAL H 1 21 LEU HG 1.800 . 4.500 4.220 4.079 4.468 . 0 0 "[ . 1 . 2 .]" 1
96 1 20 VAL H 1 21 LEU HB2 1.800 . 4.500 4.573 4.547 4.599 0.099 17 0 "[ . 1 . 2 .]" 1
97 1 21 LEU H 1 22 VAL H 1.800 . 3.850 2.684 2.565 2.858 . 0 0 "[ . 1 . 2 .]" 1
98 1 18 ALA HA 1 21 LEU H 1.800 . 3.850 3.598 3.505 3.722 . 0 0 "[ . 1 . 2 .]" 1
99 1 21 LEU H 1 21 LEU HB3 1.800 . 3.850 3.576 3.566 3.587 . 0 0 "[ . 1 . 2 .]" 1
100 1 21 LEU H 1 21 LEU HG 1.800 . 2.850 2.245 2.098 2.431 . 0 0 "[ . 1 . 2 .]" 1
101 1 21 LEU H 1 21 LEU HB2 1.800 . 3.850 2.379 2.338 2.441 . 0 0 "[ . 1 . 2 .]" 1
102 1 21 LEU H 1 21 LEU QD 1.800 . 6.000 3.087 2.865 3.141 . 0 0 "[ . 1 . 2 .]" 1
103 1 58 ALA HA 1 59 GLU H 1.800 . 2.850 2.482 2.185 2.661 . 0 0 "[ . 1 . 2 .]" 1
104 1 21 LEU HA 1 22 VAL H 1.800 . 5.500 3.588 3.573 3.596 . 0 0 "[ . 1 . 2 .]" 1
105 1 19 THR HA 1 22 VAL H 1.800 . 3.850 3.617 3.497 3.808 . 0 0 "[ . 1 . 2 .]" 1
106 1 21 LEU HB2 1 22 VAL H 1.800 . 3.850 2.428 2.270 2.554 . 0 0 "[ . 1 . 2 .]" 1
107 1 21 LEU QD 1 22 VAL H 1.800 . 6.000 3.978 3.828 4.056 . 0 0 "[ . 1 . 2 .]" 1
108 1 22 VAL H 1 22 VAL MG1 1.800 . 4.350 2.056 1.962 2.189 . 0 0 "[ . 1 . 2 .]" 1
109 1 23 GLN H 1 24 THR H 1.800 . 3.850 2.618 2.523 2.799 . 0 0 "[ . 1 . 2 .]" 1
110 1 22 VAL H 1 23 GLN H 1.800 . 2.850 2.745 2.644 2.850 0.000 20 0 "[ . 1 . 2 .]" 1
111 1 23 GLN H 1 23 GLN QG 1.800 . 3.850 2.698 2.389 2.872 . 0 0 "[ . 1 . 2 .]" 1
112 1 24 THR H 1 24 THR HB 1.800 . 2.850 2.749 2.567 2.880 0.030 22 0 "[ . 1 . 2 .]" 1
113 1 21 LEU HA 1 24 THR H 1.800 . 4.500 3.414 3.260 3.623 . 0 0 "[ . 1 . 2 .]" 1
114 1 23 GLN HB3 1 24 THR H 1.800 . 3.850 3.426 3.157 3.668 . 0 0 "[ . 1 . 2 .]" 1
115 1 23 GLN HB2 1 24 THR H 1.800 . 3.850 2.644 2.366 2.962 . 0 0 "[ . 1 . 2 .]" 1
116 1 20 VAL MG1 1 24 THR H 1.800 . 6.000 4.494 4.339 4.708 . 0 0 "[ . 1 . 2 .]" 1
117 1 24 THR H 1 24 THR MG 1.800 . 6.000 3.741 3.688 3.782 . 0 0 "[ . 1 . 2 .]" 1
118 1 25 ALA H 1 26 SER H 1.800 . 3.850 2.757 2.687 2.824 . 0 0 "[ . 1 . 2 .]" 1
119 1 24 THR H 1 25 ALA H 1.800 . 3.850 2.877 2.700 2.963 . 0 0 "[ . 1 . 2 .]" 1
120 1 24 THR HB 1 25 ALA H 1.800 . 3.850 2.117 1.994 2.282 . 0 0 "[ . 1 . 2 .]" 1
121 1 22 VAL HA 1 25 ALA H 1.800 . 4.500 4.006 3.818 4.271 . 0 0 "[ . 1 . 2 .]" 1
122 1 24 THR H 1 25 ALA MB 1.800 . 6.000 4.431 4.313 4.518 . 0 0 "[ . 1 . 2 .]" 1
123 1 25 ALA H 1 25 ALA MB 1.800 . 4.350 2.213 2.120 2.249 . 0 0 "[ . 1 . 2 .]" 1
124 1 24 THR MG 1 25 ALA H 1.800 . 5.000 3.384 3.016 3.630 . 0 0 "[ . 1 . 2 .]" 1
125 1 25 ALA H 1 76 LEU MD1 1.800 . 4.350 3.627 3.573 3.653 . 0 0 "[ . 1 . 2 .]" 1
126 1 26 SER H 1 27 LYS H 1.800 . 3.850 2.723 2.641 2.781 . 0 0 "[ . 1 . 2 .]" 1
127 1 26 SER H 1 26 SER QB 1.800 . 2.850 2.236 2.078 2.587 . 0 0 "[ . 1 . 2 .]" 1
128 1 25 ALA MB 1 26 SER H 1.800 . 5.000 2.893 2.801 3.004 . 0 0 "[ . 1 . 2 .]" 1
129 1 27 LYS H 1 28 TYR H 1.800 . 2.850 2.601 2.463 2.826 . 0 0 "[ . 1 . 2 .]" 1
130 1 26 SER HA 1 27 LYS H 1.800 . 5.500 3.549 3.512 3.568 . 0 0 "[ . 1 . 2 .]" 1
131 1 25 ALA MB 1 27 LYS H 1.800 . 6.000 4.668 4.501 4.780 . 0 0 "[ . 1 . 2 .]" 1
132 1 27 LYS H 1 27 LYS HD2 1.800 . 3.850 3.137 1.994 3.889 0.039 16 0 "[ . 1 . 2 .]" 1
133 1 26 SER HA 1 28 TYR H 1.800 . 4.500 4.066 3.614 4.210 . 0 0 "[ . 1 . 2 .]" 1
134 1 28 TYR H 1 28 TYR HB3 1.800 . 3.850 3.670 3.632 3.796 . 0 0 "[ . 1 . 2 .]" 1
135 1 28 TYR H 1 28 TYR HB2 1.800 . 2.850 2.494 2.381 2.649 . 0 0 "[ . 1 . 2 .]" 1
136 1 27 LYS HB2 1 28 TYR H 1.800 . 4.500 3.033 2.868 4.022 . 0 0 "[ . 1 . 2 .]" 1
137 1 25 ALA MB 1 28 TYR H 1.800 . 6.000 4.277 4.183 4.466 . 0 0 "[ . 1 . 2 .]" 1
138 1 28 TYR H 1 72 ALA MB 1.800 . 6.000 4.414 4.086 4.807 . 0 0 "[ . 1 . 2 .]" 1
139 1 29 ASP H 1 30 ALA H 1.800 . 3.850 2.589 2.478 2.671 . 0 0 "[ . 1 . 2 .]" 1
140 1 28 TYR HD1 1 29 ASP H 1.800 . 4.500 4.142 3.722 4.400 . 0 0 "[ . 1 . 2 .]" 1
141 1 28 TYR HA 1 29 ASP H 1.800 . 2.850 2.181 2.163 2.202 . 0 0 "[ . 1 . 2 .]" 1
142 1 28 TYR HB3 1 29 ASP H 1.800 . 3.850 3.373 3.213 3.543 . 0 0 "[ . 1 . 2 .]" 1
143 1 29 ASP H 1 29 ASP QB 1.800 . 3.850 2.403 2.180 2.518 . 0 0 "[ . 1 . 2 .]" 1
144 1 29 ASP H 1 30 ALA MB 1.800 . 6.000 4.224 4.050 4.327 . 0 0 "[ . 1 . 2 .]" 1
145 1 29 ASP H 1 72 ALA MB 1.800 . 6.000 5.009 4.994 5.022 . 0 0 "[ . 1 . 2 .]" 1
146 1 30 ALA H 1 68 ASP H 1.800 . 4.500 3.706 3.390 4.120 . 0 0 "[ . 1 . 2 .]" 1
147 1 29 ASP HA 1 30 ALA H 1.800 . 3.850 3.421 3.177 3.508 . 0 0 "[ . 1 . 2 .]" 1
148 1 28 TYR HB3 1 30 ALA H 1.800 . 3.850 2.769 2.611 2.861 . 0 0 "[ . 1 . 2 .]" 1
149 1 29 ASP QB 1 30 ALA H 1.800 . 4.500 3.128 2.874 3.610 . 0 0 "[ . 1 . 2 .]" 1
150 1 30 ALA H 1 30 ALA MB 1.800 . 4.350 2.181 2.121 2.256 . 0 0 "[ . 1 . 2 .]" 1
151 1 30 ALA H 1 72 ALA MB 1.800 . 6.000 3.889 3.616 4.091 . 0 0 "[ . 1 . 2 .]" 1
152 1 31 ASP H 1 65 SER H 1.800 . 3.850 2.728 1.982 3.259 . 0 0 "[ . 1 . 2 .]" 1
153 1 30 ALA HA 1 31 ASP H 1.800 . 2.850 2.367 2.246 2.623 . 0 0 "[ . 1 . 2 .]" 1
154 1 31 ASP H 1 66 GLY HA2 1.800 . 4.500 4.137 3.872 4.430 . 0 0 "[ . 1 . 2 .]" 1
155 1 31 ASP H 1 31 ASP HB2 1.800 . 2.850 2.398 2.224 2.536 . 0 0 "[ . 1 . 2 .]" 1
156 1 30 ALA MB 1 31 ASP H 1.800 . 4.350 2.636 2.051 2.899 . 0 0 "[ . 1 . 2 .]" 1
157 1 31 ASP H 1 32 VAL QG 1.800 . 6.000 3.968 3.614 4.177 . 0 0 "[ . 1 . 2 .]" 1
158 1 31 ASP HA 1 32 VAL H 1.800 . 2.850 2.318 2.242 2.422 . 0 0 "[ . 1 . 2 .]" 1
159 1 32 VAL H 1 44 LYS QE 1.800 . 3.850 3.306 2.866 3.450 . 0 0 "[ . 1 . 2 .]" 1
160 1 32 VAL H 1 32 VAL HB 1.800 . 3.850 3.669 3.647 3.704 . 0 0 "[ . 1 . 2 .]" 1
161 1 32 VAL H 1 32 VAL QG 1.800 . 5.000 1.885 1.866 1.928 . 0 0 "[ . 1 . 2 .]" 1
162 1 32 VAL HA 1 33 ASN H 1.800 . 2.850 2.219 2.181 2.312 . 0 0 "[ . 1 . 2 .]" 1
163 1 32 VAL QG 1 33 ASN H 1.800 . 5.000 3.629 3.461 3.724 . 0 0 "[ . 1 . 2 .]" 1
164 1 32 VAL HB 1 33 ASN H 1.800 . 5.500 3.532 3.037 4.106 . 0 0 "[ . 1 . 2 .]" 1
165 1 33 ASN HA 1 34 LEU H 1.800 . 2.850 2.202 2.169 2.263 . 0 0 "[ . 1 . 2 .]" 1
166 1 33 ASN HB3 1 34 LEU H 1.800 . 3.850 3.232 2.926 3.447 . 0 0 "[ . 1 . 2 .]" 1
167 1 34 LEU H 1 34 LEU HB2 1.800 . 3.850 2.639 2.413 2.914 . 0 0 "[ . 1 . 2 .]" 1
168 1 34 LEU H 1 43 LEU HB2 1.800 . 3.850 3.793 3.445 3.892 0.042 2 0 "[ . 1 . 2 .]" 1
169 1 34 LEU H 1 34 LEU QD 1.800 . 6.000 3.762 3.692 3.811 . 0 0 "[ . 1 . 2 .]" 1
170 1 35 GLU H 1 61 THR H 1.800 . 3.850 2.634 2.014 3.578 . 0 0 "[ . 1 . 2 .]" 1
171 1 35 GLU H 1 61 THR HB 1.800 . 4.500 3.734 2.938 3.956 . 0 0 "[ . 1 . 2 .]" 1
172 1 35 GLU H 1 35 GLU HB3 1.800 . 3.850 2.749 2.527 3.006 . 0 0 "[ . 1 . 2 .]" 1
173 1 35 GLU H 1 35 GLU HB2 1.800 . 3.850 2.915 2.617 3.137 . 0 0 "[ . 1 . 2 .]" 1
174 1 34 LEU HG 1 35 GLU H 1.800 . 3.850 2.416 1.991 3.266 . 0 0 "[ . 1 . 2 .]" 1
175 1 35 GLU H 1 61 THR MG 1.800 . 6.000 4.789 3.865 4.996 . 0 0 "[ . 1 . 2 .]" 1
176 1 34 LEU QD 1 35 GLU H 1.800 . 6.000 2.556 1.954 3.480 . 0 0 "[ . 1 . 2 .]" 1
177 1 36 TYR H 1 39 LYS H 1.800 . 3.850 2.967 2.290 3.861 0.011 16 0 "[ . 1 . 2 .]" 1
178 1 35 GLU HA 1 36 TYR H 1.800 . 2.850 2.240 2.167 2.352 . 0 0 "[ . 1 . 2 .]" 1
179 1 36 TYR H 1 40 THR HA 1.800 . 3.850 3.521 2.697 3.856 0.006 18 0 "[ . 1 . 2 .]" 1
180 1 36 TYR H 1 36 TYR HB3 1.800 . 3.850 2.884 2.501 3.075 . 0 0 "[ . 1 . 2 .]" 1
181 1 36 TYR H 1 36 TYR HB2 1.800 . 3.850 3.237 2.624 3.433 . 0 0 "[ . 1 . 2 .]" 1
182 1 35 GLU QG 1 36 TYR H 1.800 . 4.500 2.485 1.967 3.111 . 0 0 "[ . 1 . 2 .]" 1
183 1 36 TYR H 1 52 LEU QD 1.800 . 6.000 3.683 2.892 4.340 . 0 0 "[ . 1 . 2 .]" 1
184 1 37 ASN H 1 39 LYS H 1.800 . 4.500 4.230 3.860 4.516 0.016 12 0 "[ . 1 . 2 .]" 1
185 1 36 TYR HD1 1 37 ASN H 1.800 . 3.850 3.518 2.914 3.907 0.057 21 0 "[ . 1 . 2 .]" 1
186 1 36 TYR HA 1 37 ASN H 1.800 . 2.850 2.300 2.181 2.628 . 0 0 "[ . 1 . 2 .]" 1
187 1 37 ASN H 1 37 ASN HA 1.800 . 2.850 2.342 2.331 2.350 . 0 0 "[ . 1 . 2 .]" 1
188 1 37 ASN H 1 37 ASN HB2 1.800 . 3.850 3.141 2.951 3.344 . 0 0 "[ . 1 . 2 .]" 1
189 1 38 GLY H 1 39 LYS H 1.800 . 3.850 2.681 2.114 3.216 . 0 0 "[ . 1 . 2 .]" 1
190 1 38 GLY H 1 38 GLY HA3 1.800 . 2.850 2.866 2.648 2.956 0.106 21 0 "[ . 1 . 2 .]" 1
191 1 35 GLU QG 1 38 GLY H 1.800 . 4.500 3.321 2.523 4.076 . 0 0 "[ . 1 . 2 .]" 1
192 1 38 GLY HA2 1 39 LYS H 1.800 . 4.500 3.246 2.964 3.578 . 0 0 "[ . 1 . 2 .]" 1
193 1 39 LYS H 1 39 LYS QB 1.800 . 3.850 2.497 2.211 2.691 . 0 0 "[ . 1 . 2 .]" 1
194 1 40 THR HA 1 41 VAL H 1.800 . 2.850 2.245 2.174 2.423 . 0 0 "[ . 1 . 2 .]" 1
195 1 35 GLU HA 1 41 VAL H 1.800 . 3.850 3.416 2.596 3.796 . 0 0 "[ . 1 . 2 .]" 1
196 1 40 THR HB 1 41 VAL H 1.800 . 4.500 4.364 4.164 4.452 . 0 0 "[ . 1 . 2 .]" 1
197 1 40 THR MG 1 41 VAL H 1.800 . 4.350 3.232 2.882 3.628 . 0 0 "[ . 1 . 2 .]" 1
198 1 41 VAL H 1 41 VAL MG2 1.800 . 4.350 1.930 1.889 1.963 . 0 0 "[ . 1 . 2 .]" 1
199 1 42 ASN H 1 42 ASN QB 1.800 . 3.850 2.233 2.135 2.299 . 0 0 "[ . 1 . 2 .]" 1
200 1 41 VAL HB 1 42 ASN H 1.800 . 2.850 2.873 2.836 2.901 0.051 8 0 "[ . 1 . 2 .]" 1
201 1 43 LEU H 1 44 LYS H 1.800 . 3.850 2.723 2.666 2.810 . 0 0 "[ . 1 . 2 .]" 1
202 1 33 ASN HA 1 43 LEU H 1.800 . 3.850 2.467 2.097 2.970 . 0 0 "[ . 1 . 2 .]" 1
203 1 42 ASN HA 1 43 LEU H 1.800 . 2.850 2.272 2.215 2.364 . 0 0 "[ . 1 . 2 .]" 1
204 1 42 ASN QB 1 43 LEU H 1.800 . 4.500 3.574 3.374 3.700 . 0 0 "[ . 1 . 2 .]" 1
205 1 43 LEU H 1 43 LEU HB3 1.800 . 3.850 2.782 2.730 2.838 . 0 0 "[ . 1 . 2 .]" 1
206 1 43 LEU H 1 43 LEU HB2 1.800 . 3.850 2.367 2.252 2.482 . 0 0 "[ . 1 . 2 .]" 1
207 1 43 LEU H 1 43 LEU QD 1.800 . 6.000 3.593 3.429 3.685 . 0 0 "[ . 1 . 2 .]" 1
208 1 44 LYS H 1 45 SER H 1.800 . 3.850 3.390 3.274 3.538 . 0 0 "[ . 1 . 2 .]" 1
209 1 43 LEU HA 1 44 LYS H 1.800 . 3.850 3.468 3.398 3.507 . 0 0 "[ . 1 . 2 .]" 1
210 1 44 LYS H 1 44 LYS QB 1.800 . 3.850 2.431 2.289 2.585 . 0 0 "[ . 1 . 2 .]" 1
211 1 44 LYS H 1 44 LYS QG 1.800 . 3.850 2.853 2.305 3.434 . 0 0 "[ . 1 . 2 .]" 1
212 1 44 LYS H 1 44 LYS QD 1.800 . 3.850 2.503 1.949 3.430 . 0 0 "[ . 1 . 2 .]" 1
213 1 43 LEU MD2 1 44 LYS H 1.800 . 6.000 4.657 4.577 4.817 . 0 0 "[ . 1 . 2 .]" 1
214 1 45 SER H 1 45 SER HB2 1.800 . 3.850 3.190 2.957 3.527 . 0 0 "[ . 1 . 2 .]" 1
215 1 45 SER H 1 46 ILE HG12 1.800 . 4.500 4.565 4.544 4.586 0.086 5 0 "[ . 1 . 2 .]" 1
216 1 46 ILE H 1 47 MET H 1.800 . 4.500 2.651 2.396 2.944 . 0 0 "[ . 1 . 2 .]" 1
217 1 46 ILE H 1 46 ILE HB 1.800 . 3.850 2.605 2.576 2.648 . 0 0 "[ . 1 . 2 .]" 1
218 1 46 ILE H 1 46 ILE HG13 1.800 . 3.850 2.102 1.939 3.493 . 0 0 "[ . 1 . 2 .]" 1
219 1 46 ILE H 1 46 ILE MD 1.800 . 5.000 3.559 3.125 3.685 . 0 0 "[ . 1 . 2 .]" 1
220 1 47 MET H 1 47 MET QG 1.800 . 4.500 3.991 3.876 4.062 . 0 0 "[ . 1 . 2 .]" 1
221 1 46 ILE HB 1 47 MET H 1.800 . 3.850 2.514 2.072 2.683 . 0 0 "[ . 1 . 2 .]" 1
222 1 46 ILE MG 1 47 MET H 1.800 . 4.350 3.547 3.170 3.654 . 0 0 "[ . 1 . 2 .]" 1
223 1 47 MET HB3 1 48 GLY H 1.800 . 4.500 2.929 2.737 3.158 . 0 0 "[ . 1 . 2 .]" 1
224 1 49 VAL H 1 50 VAL H 1.800 . 3.850 2.535 2.294 2.681 . 0 0 "[ . 1 . 2 .]" 1
225 1 49 VAL H 1 49 VAL HB 1.800 . 2.850 2.571 2.533 2.624 . 0 0 "[ . 1 . 2 .]" 1
226 1 49 VAL H 1 49 VAL MG2 1.800 . 4.350 2.123 1.964 2.363 . 0 0 "[ . 1 . 2 .]" 1
227 1 49 VAL H 1 49 VAL MG1 1.800 . 5.000 3.784 3.771 3.808 . 0 0 "[ . 1 . 2 .]" 1
228 1 49 VAL MG1 1 50 VAL H 1.800 . 5.000 3.699 3.499 3.808 . 0 0 "[ . 1 . 2 .]" 1
229 1 50 VAL H 1 50 VAL QG 1.800 . 4.350 2.096 1.960 2.256 . 0 0 "[ . 1 . 2 .]" 1
230 1 50 VAL H 1 51 SER H 1.800 . 3.850 2.556 2.371 2.676 . 0 0 "[ . 1 . 2 .]" 1
231 1 51 SER H 1 52 LEU H 1.800 . 3.850 2.637 2.551 2.746 . 0 0 "[ . 1 . 2 .]" 1
232 1 50 VAL HA 1 51 SER H 1.800 . 4.500 3.514 3.493 3.533 . 0 0 "[ . 1 . 2 .]" 1
233 1 50 VAL HB 1 51 SER H 1.800 . 3.850 2.890 2.712 3.910 0.060 12 0 "[ . 1 . 2 .]" 1
234 1 50 VAL QG 1 51 SER H 1.800 . 6.000 3.332 2.015 3.464 . 0 0 "[ . 1 . 2 .]" 1
235 1 52 LEU H 1 53 GLY H 1.800 . 3.850 2.765 2.540 3.081 . 0 0 "[ . 1 . 2 .]" 1
236 1 49 VAL HA 1 52 LEU H 1.800 . 4.500 3.544 3.310 3.919 . 0 0 "[ . 1 . 2 .]" 1
237 1 52 LEU H 1 52 LEU HB3 1.800 . 3.850 3.594 3.524 3.632 . 0 0 "[ . 1 . 2 .]" 1
238 1 52 LEU H 1 52 LEU QD 1.800 . 5.000 2.554 1.875 3.227 . 0 0 "[ . 1 . 2 .]" 1
239 1 53 GLY H 1 54 ILE H 1.800 . 3.850 2.588 2.121 3.083 . 0 0 "[ . 1 . 2 .]" 1
240 1 52 LEU HA 1 53 GLY H 1.800 . 4.500 3.568 3.525 3.587 . 0 0 "[ . 1 . 2 .]" 1
241 1 53 GLY H 1 53 GLY HA2 1.800 . 2.850 2.397 2.345 2.536 . 0 0 "[ . 1 . 2 .]" 1
242 1 52 LEU HB2 1 53 GLY H 1.800 . 5.500 2.451 1.995 2.906 . 0 0 "[ . 1 . 2 .]" 1
243 1 52 LEU QD 1 53 GLY H 1.800 . 6.000 3.777 3.511 4.184 . 0 0 "[ . 1 . 2 .]" 1
244 1 53 GLY HA2 1 54 ILE H 1.800 . 3.850 2.653 2.464 2.870 . 0 0 "[ . 1 . 2 .]" 1
245 1 53 GLY HA3 1 54 ILE H 1.800 . 4.500 3.578 3.540 3.588 . 0 0 "[ . 1 . 2 .]" 1
246 1 52 LEU HB2 1 54 ILE H 1.800 . 3.850 3.630 3.148 3.863 0.013 25 0 "[ . 1 . 2 .]" 1
247 1 54 ILE H 1 54 ILE HB 1.800 . 3.850 2.589 2.520 2.680 . 0 0 "[ . 1 . 2 .]" 1
248 1 54 ILE H 1 54 ILE HG13 1.800 . 3.850 2.054 1.993 2.191 . 0 0 "[ . 1 . 2 .]" 1
249 1 54 ILE H 1 54 ILE HG12 1.800 . 3.850 3.470 3.272 3.692 . 0 0 "[ . 1 . 2 .]" 1
250 1 54 ILE H 1 54 ILE MD 1.800 . 6.000 3.302 2.984 3.562 . 0 0 "[ . 1 . 2 .]" 1
251 1 54 ILE H 1 54 ILE MG 1.800 . 6.000 3.788 3.776 3.818 . 0 0 "[ . 1 . 2 .]" 1
252 1 54 ILE HA 1 55 ALA H 1.800 . 2.850 2.366 2.252 2.438 . 0 0 "[ . 1 . 2 .]" 1
253 1 55 ALA H 1 55 ALA MB 1.800 . 3.850 2.624 2.506 2.725 . 0 0 "[ . 1 . 2 .]" 1
254 1 54 ILE MG 1 55 ALA H 1.800 . 5.000 1.981 1.893 2.207 . 0 0 "[ . 1 . 2 .]" 1
255 1 57 GLY H 1 58 ALA H 1.800 . 3.850 2.654 2.250 3.092 . 0 0 "[ . 1 . 2 .]" 1
256 1 57 GLY H 1 57 GLY HA2 1.800 . 2.850 2.409 2.345 2.773 . 0 0 "[ . 1 . 2 .]" 1
257 1 7 VAL MG1 1 57 GLY H 1.800 . 5.000 3.725 3.059 4.116 . 0 0 "[ . 1 . 2 .]" 1
258 1 56 LYS HB3 1 57 GLY H 1.800 . 5.500 3.931 2.751 4.690 . 0 0 "[ . 1 . 2 .]" 1
259 1 56 LYS HB2 1 57 GLY H 1.800 . 4.500 3.481 2.665 4.447 . 0 0 "[ . 1 . 2 .]" 1
260 1 7 VAL HB 1 57 GLY H 1.800 . 3.850 3.758 3.190 3.875 0.025 13 0 "[ . 1 . 2 .]" 1
261 1 57 GLY HA2 1 58 ALA H 1.800 . 3.850 2.650 2.396 2.851 . 0 0 "[ . 1 . 2 .]" 1
262 1 7 VAL HB 1 58 ALA H 1.800 . 3.850 2.418 2.121 2.846 . 0 0 "[ . 1 . 2 .]" 1
263 1 58 ALA H 1 58 ALA MB 1.800 . 4.350 2.555 2.403 2.707 . 0 0 "[ . 1 . 2 .]" 1
264 1 7 VAL MG1 1 58 ALA H 1.800 . 6.000 3.765 3.410 4.133 . 0 0 "[ . 1 . 2 .]" 1
265 1 7 VAL MG2 1 58 ALA H 1.800 . 6.000 3.802 3.397 4.160 . 0 0 "[ . 1 . 2 .]" 1
266 1 54 ILE MG 1 58 ALA H 1.800 . 6.000 4.608 3.781 5.002 . 0 0 "[ . 1 . 2 .]" 1
267 1 58 ALA MB 1 59 GLU H 1.800 . 4.350 2.454 2.038 3.256 . 0 0 "[ . 1 . 2 .]" 1
268 1 6 LYS HA 1 60 ILE H 1.800 . 4.500 3.457 3.191 3.853 . 0 0 "[ . 1 . 2 .]" 1
269 1 59 GLU QB 1 60 ILE H 1.800 . 4.500 3.056 2.587 3.397 . 0 0 "[ . 1 . 2 .]" 1
270 1 60 ILE H 1 60 ILE HG13 1.800 . 3.850 2.825 2.700 2.974 . 0 0 "[ . 1 . 2 .]" 1
271 1 60 ILE H 1 60 ILE HG12 1.800 . 3.850 2.162 1.967 2.431 . 0 0 "[ . 1 . 2 .]" 1
272 1 4 THR MG 1 60 ILE H 1.800 . 6.000 3.547 3.019 3.943 . 0 0 "[ . 1 . 2 .]" 1
273 1 60 ILE H 1 60 ILE MG 1.800 . 5.000 2.989 2.759 3.194 . 0 0 "[ . 1 . 2 .]" 1
274 1 60 ILE H 1 60 ILE MD 1.800 . 6.000 3.843 3.692 4.030 . 0 0 "[ . 1 . 2 .]" 1
275 1 60 ILE HA 1 61 THR H 1.800 . 2.850 2.295 2.191 2.438 . 0 0 "[ . 1 . 2 .]" 1
276 1 61 THR H 1 61 THR HB 1.800 . 3.850 2.875 2.681 3.047 . 0 0 "[ . 1 . 2 .]" 1
277 1 60 ILE HB 1 61 THR H 1.800 . 3.850 2.933 2.500 3.401 . 0 0 "[ . 1 . 2 .]" 1
278 1 60 ILE MG 1 61 THR H 1.800 . 6.000 3.811 3.648 3.968 . 0 0 "[ . 1 . 2 .]" 1
279 1 61 THR H 1 61 THR MG 1.800 . 6.000 3.914 3.841 3.988 . 0 0 "[ . 1 . 2 .]" 1
280 1 5 PHE QE 1 62 ILE H 1.800 . 4.500 4.120 3.765 4.499 . 0 0 "[ . 1 . 2 .]" 1
281 1 5 PHE QD 1 62 ILE H 1.800 . 5.500 3.217 2.791 4.126 . 0 0 "[ . 1 . 2 .]" 1
282 1 62 ILE H 1 62 ILE HB 1.800 . 2.850 2.511 2.411 2.870 0.020 21 0 "[ . 1 . 2 .]" 1
283 1 62 ILE H 1 62 ILE HG12 1.800 . 3.850 3.783 3.636 3.965 0.115 2 0 "[ . 1 . 2 .]" 1
284 1 62 ILE H 1 62 ILE MG 1.800 . 5.000 3.815 3.771 3.957 . 0 0 "[ . 1 . 2 .]" 1
285 1 33 ASN H 1 63 SER H 1.800 . 3.850 2.679 2.319 3.238 . 0 0 "[ . 1 . 2 .]" 1
286 1 63 SER H 1 63 SER HB3 1.800 . 3.850 3.579 3.483 3.654 . 0 0 "[ . 1 . 2 .]" 1
287 1 63 SER H 1 63 SER HB2 1.800 . 3.850 3.830 3.780 3.877 0.027 2 0 "[ . 1 . 2 .]" 1
288 1 33 ASN HB2 1 63 SER H 1.800 . 5.500 4.149 3.839 4.488 . 0 0 "[ . 1 . 2 .]" 1
289 1 62 ILE HG12 1 63 SER H 1.800 . 4.500 4.236 4.107 4.624 0.124 2 0 "[ . 1 . 2 .]" 1
290 1 62 ILE MG 1 63 SER H 1.800 . 4.350 2.066 1.885 2.345 . 0 0 "[ . 1 . 2 .]" 1
291 1 63 SER HA 1 64 ALA H 1.800 . 2.850 2.204 2.185 2.227 . 0 0 "[ . 1 . 2 .]" 1
292 1 63 SER HB2 1 64 ALA H 1.800 . 3.850 3.779 3.667 3.885 0.035 18 0 "[ . 1 . 2 .]" 1
293 1 63 SER HB3 1 64 ALA H 1.800 . 4.500 4.334 4.261 4.434 . 0 0 "[ . 1 . 2 .]" 1
294 1 2 GLN HB3 1 64 ALA H 1.800 . 5.500 3.480 3.237 3.709 . 0 0 "[ . 1 . 2 .]" 1
295 1 64 ALA H 1 64 ALA MB 1.800 . 4.350 2.313 2.296 2.332 . 0 0 "[ . 1 . 2 .]" 1
296 1 1 ALA MB 1 64 ALA H 1.800 . 6.000 3.550 2.894 3.971 . 0 0 "[ . 1 . 2 .]" 1
297 1 62 ILE MG 1 64 ALA H 1.800 . 5.000 3.571 3.352 3.751 . 0 0 "[ . 1 . 2 .]" 1
298 1 64 ALA HA 1 65 SER H 1.800 . 2.850 2.219 2.201 2.244 . 0 0 "[ . 1 . 2 .]" 1
299 1 32 VAL HA 1 65 SER H 1.800 . 3.850 3.454 3.211 3.781 . 0 0 "[ . 1 . 2 .]" 1
300 1 31 ASP HB2 1 65 SER H 1.800 . 3.850 3.321 2.282 3.856 0.006 3 0 "[ . 1 . 2 .]" 1
301 1 64 ALA MB 1 65 SER H 1.800 . 5.000 3.145 3.033 3.283 . 0 0 "[ . 1 . 2 .]" 1
302 1 30 ALA MB 1 65 SER H 1.800 . 5.000 2.933 2.679 3.267 . 0 0 "[ . 1 . 2 .]" 1
303 1 32 VAL MG1 1 65 SER H 1.800 . 6.000 3.253 2.960 3.595 . 0 0 "[ . 1 . 2 .]" 1
304 1 65 SER HB3 1 66 GLY H 1.800 . 4.500 3.987 3.858 4.147 . 0 0 "[ . 1 . 2 .]" 1
305 1 65 SER HA 1 66 GLY H 1.800 . 2.850 2.221 2.193 2.319 . 0 0 "[ . 1 . 2 .]" 1
306 1 66 GLY H 1 69 GLU HG3 1.800 . 5.500 4.297 3.523 4.617 . 0 0 "[ . 1 . 2 .]" 1
307 1 66 GLY H 1 69 GLU HG2 1.800 . 4.500 3.348 2.000 4.204 . 0 0 "[ . 1 . 2 .]" 1
308 1 66 GLY H 1 69 GLU HB3 1.800 . 3.850 2.012 1.974 2.127 . 0 0 "[ . 1 . 2 .]" 1
309 1 66 GLY H 1 69 GLU HB2 1.800 . 4.400 3.489 3.379 3.709 . 0 0 "[ . 1 . 2 .]" 1
310 1 30 ALA MB 1 66 GLY H 1.800 . 6.000 3.206 2.680 3.366 . 0 0 "[ . 1 . 2 .]" 1
311 1 68 ASP H 1 69 GLU H 1.800 . 3.850 3.229 3.056 3.479 . 0 0 "[ . 1 . 2 .]" 1
312 1 67 ALA HA 1 68 ASP H 1.800 . 3.850 3.579 3.553 3.586 . 0 0 "[ . 1 . 2 .]" 1
313 1 68 ASP H 1 68 ASP HB3 1.800 . 3.850 2.966 2.889 3.225 . 0 0 "[ . 1 . 2 .]" 1
314 1 29 ASP QB 1 68 ASP H 1.800 . 5.500 3.992 3.661 4.797 . 0 0 "[ . 1 . 2 .]" 1
315 1 67 ALA MB 1 68 ASP H 1.800 . 4.350 2.162 2.001 2.353 . 0 0 "[ . 1 . 2 .]" 1
316 1 30 ALA MB 1 68 ASP H 1.800 . 5.000 3.058 2.732 3.363 . 0 0 "[ . 1 . 2 .]" 1
317 1 66 GLY H 1 69 GLU H 1.800 . 4.500 3.694 3.084 3.903 . 0 0 "[ . 1 . 2 .]" 1
318 1 69 GLU H 1 70 ASN H 1.800 . 3.850 2.686 2.587 2.915 . 0 0 "[ . 1 . 2 .]" 1
319 1 68 ASP HA 1 69 GLU H 1.800 . 3.850 2.725 2.542 2.823 . 0 0 "[ . 1 . 2 .]" 1
320 1 69 GLU H 1 69 GLU HG2 1.800 . 2.850 2.010 1.937 2.767 . 0 0 "[ . 1 . 2 .]" 1
321 1 69 GLU H 1 69 GLU HG3 1.800 . 3.850 3.115 1.943 3.555 . 0 0 "[ . 1 . 2 .]" 1
322 1 69 GLU H 1 69 GLU HB3 1.800 . 3.850 2.647 2.570 2.783 . 0 0 "[ . 1 . 2 .]" 1
323 1 69 GLU H 1 69 GLU HB2 1.800 . 3.850 3.618 3.610 3.625 . 0 0 "[ . 1 . 2 .]" 1
324 1 30 ALA MB 1 69 GLU H 1.800 . 6.000 2.944 2.767 3.187 . 0 0 "[ . 1 . 2 .]" 1
325 1 70 ASN H 1 71 ASP H 1.800 . 3.850 2.566 2.420 2.709 . 0 0 "[ . 1 . 2 .]" 1
326 1 69 GLU HA 1 70 ASN H 1.800 . 3.850 3.532 3.504 3.597 . 0 0 "[ . 1 . 2 .]" 1
327 1 71 ASP H 1 72 ALA H 1.800 . 3.850 2.539 2.477 2.695 . 0 0 "[ . 1 . 2 .]" 1
328 1 70 ASN HA 1 71 ASP H 1.800 . 5.500 3.537 3.507 3.574 . 0 0 "[ . 1 . 2 .]" 1
329 1 71 ASP H 1 71 ASP HB2 1.800 . 2.850 2.527 2.391 2.617 . 0 0 "[ . 1 . 2 .]" 1
330 1 71 ASP H 1 72 ALA MB 1.800 . 6.000 4.248 4.182 4.372 . 0 0 "[ . 1 . 2 .]" 1
331 1 71 ASP HA 1 72 ALA H 1.800 . 4.500 3.488 3.463 3.539 . 0 0 "[ . 1 . 2 .]" 1
332 1 69 GLU HA 1 72 ALA H 1.800 . 4.500 3.458 3.326 3.575 . 0 0 "[ . 1 . 2 .]" 1
333 1 72 ALA H 1 72 ALA MB 1.800 . 4.350 2.261 2.223 2.291 . 0 0 "[ . 1 . 2 .]" 1
334 1 72 ALA H 1 73 LEU H 1.800 . 3.850 2.560 2.493 2.784 . 0 0 "[ . 1 . 2 .]" 1
335 1 73 LEU H 1 74 ASN H 1.800 . 3.850 2.776 2.661 2.957 . 0 0 "[ . 1 . 2 .]" 1
336 1 70 ASN HA 1 73 LEU H 1.800 . 4.500 3.692 3.540 3.900 . 0 0 "[ . 1 . 2 .]" 1
337 1 72 ALA HA 1 73 LEU H 1.800 . 5.500 3.584 3.565 3.610 . 0 0 "[ . 1 . 2 .]" 1
338 1 73 LEU H 1 73 LEU HG 1.800 . 3.850 2.174 2.014 2.304 . 0 0 "[ . 1 . 2 .]" 1
339 1 64 ALA MB 1 73 LEU H 1.800 . 6.000 3.029 2.838 3.237 . 0 0 "[ . 1 . 2 .]" 1
340 1 73 LEU H 1 73 LEU QD 1.800 . 5.000 2.931 2.807 3.029 . 0 0 "[ . 1 . 2 .]" 1
341 1 71 ASP HA 1 74 ASN H 1.800 . 4.500 3.900 3.791 4.135 . 0 0 "[ . 1 . 2 .]" 1
342 1 73 LEU HA 1 74 ASN H 1.800 . 4.500 3.574 3.554 3.591 . 0 0 "[ . 1 . 2 .]" 1
343 1 74 ASN H 1 74 ASN QB 1.800 . 3.850 2.631 2.512 2.792 . 0 0 "[ . 1 . 2 .]" 1
344 1 73 LEU MD1 1 74 ASN H 1.800 . 6.000 2.285 2.188 2.343 . 0 0 "[ . 1 . 2 .]" 1
345 1 75 ALA H 1 76 LEU H 1.800 . 3.850 2.816 2.642 2.980 . 0 0 "[ . 1 . 2 .]" 1
346 1 74 ASN HA 1 75 ALA H 1.800 . 5.500 3.484 3.448 3.506 . 0 0 "[ . 1 . 2 .]" 1
347 1 74 ASN QB 1 75 ALA H 1.800 . 4.500 3.654 3.593 3.714 . 0 0 "[ . 1 . 2 .]" 1
348 1 72 ALA HA 1 75 ALA H 1.800 . 4.500 3.425 3.339 3.493 . 0 0 "[ . 1 . 2 .]" 1
349 1 75 ALA H 1 75 ALA MB 1.800 . 4.350 2.180 2.050 2.259 . 0 0 "[ . 1 . 2 .]" 1
350 1 76 LEU H 1 77 GLU H 1.800 . 2.850 2.635 2.530 2.689 . 0 0 "[ . 1 . 2 .]" 1
351 1 75 ALA HA 1 76 LEU H 1.800 . 4.500 3.591 3.583 3.597 . 0 0 "[ . 1 . 2 .]" 1
352 1 76 LEU H 1 76 LEU HB2 1.800 . 3.850 2.629 2.580 2.662 . 0 0 "[ . 1 . 2 .]" 1
353 1 76 LEU H 1 76 LEU HB3 1.800 . 3.850 3.617 3.609 3.628 . 0 0 "[ . 1 . 2 .]" 1
354 1 76 LEU H 1 76 LEU HG 1.800 . 3.850 2.210 2.155 2.298 . 0 0 "[ . 1 . 2 .]" 1
355 1 75 ALA MB 1 76 LEU H 1.800 . 4.350 2.197 2.012 2.397 . 0 0 "[ . 1 . 2 .]" 1
356 1 76 LEU H 1 76 LEU MD1 1.800 . 6.000 2.390 2.175 2.589 . 0 0 "[ . 1 . 2 .]" 1
357 1 77 GLU H 1 78 GLU H 1.800 . 3.850 2.894 2.746 2.963 . 0 0 "[ . 1 . 2 .]" 1
358 1 73 LEU HB2 1 77 GLU H 1.800 . 5.500 5.436 5.269 5.522 0.022 16 0 "[ . 1 . 2 .]" 1
359 1 76 LEU HB3 1 77 GLU H 1.800 . 4.500 3.990 3.857 4.095 . 0 0 "[ . 1 . 2 .]" 1
360 1 78 GLU H 1 79 THR H 1.800 . 3.850 2.678 2.513 2.726 . 0 0 "[ . 1 . 2 .]" 1
361 1 77 GLU HA 1 78 GLU H 1.800 . 4.500 3.596 3.572 3.608 . 0 0 "[ . 1 . 2 .]" 1
362 1 78 GLU H 1 78 GLU QB 1.800 . 2.850 2.547 2.441 2.579 . 0 0 "[ . 1 . 2 .]" 1
363 1 79 THR H 1 79 THR MG 1.800 . 6.000 3.769 3.711 3.781 . 0 0 "[ . 1 . 2 .]" 1
364 1 78 GLU QB 1 79 THR H 1.800 . 4.500 3.553 3.468 3.601 . 0 0 "[ . 1 . 2 .]" 1
365 1 80 MET H 1 81 LYS H 1.800 . 3.850 2.512 2.484 2.546 . 0 0 "[ . 1 . 2 .]" 1
366 1 79 THR HB 1 80 MET H 1.800 . 3.850 2.722 2.638 2.786 . 0 0 "[ . 1 . 2 .]" 1
367 1 80 MET H 1 80 MET HB2 1.800 . 3.850 2.268 2.125 2.473 . 0 0 "[ . 1 . 2 .]" 1
368 1 80 MET H 1 80 MET HG3 1.800 . 3.850 3.375 2.727 3.691 . 0 0 "[ . 1 . 2 .]" 1
369 1 79 THR MG 1 80 MET H 1.800 . 6.000 3.734 3.625 3.976 . 0 0 "[ . 1 . 2 .]" 1
370 1 21 LEU QD 1 80 MET H 1.800 . 6.000 4.415 4.255 4.477 . 0 0 "[ . 1 . 2 .]" 1
371 1 81 LYS H 1 82 SER H 1.800 . 3.850 2.430 2.367 2.672 . 0 0 "[ . 1 . 2 .]" 1
372 1 78 GLU HA 1 81 LYS H 1.800 . 3.850 3.218 3.127 3.285 . 0 0 "[ . 1 . 2 .]" 1
373 1 80 MET HA 1 81 LYS H 1.800 . 5.500 3.510 3.499 3.528 . 0 0 "[ . 1 . 2 .]" 1
374 1 82 SER H 1 83 GLU H 1.800 . 3.850 2.735 2.357 2.958 . 0 0 "[ . 1 . 2 .]" 1
375 1 81 LYS HA 1 82 SER H 1.800 . 4.500 3.485 3.387 3.576 . 0 0 "[ . 1 . 2 .]" 1
376 1 81 LYS QB 1 82 SER H 1.800 . 3.850 2.968 2.436 3.286 . 0 0 "[ . 1 . 2 .]" 1
377 1 83 GLU H 1 84 GLY H 1.800 . 3.850 2.471 2.223 2.716 . 0 0 "[ . 1 . 2 .]" 1
378 1 82 SER HA 1 83 GLU H 1.800 . 4.500 3.580 3.521 3.591 . 0 0 "[ . 1 . 2 .]" 1
379 1 80 MET HA 1 83 GLU H 1.800 . 5.500 4.082 3.602 4.431 . 0 0 "[ . 1 . 2 .]" 1
380 1 83 GLU H 1 85 LEU HG 1.800 . 4.500 4.491 4.364 4.524 0.024 6 0 "[ . 1 . 2 .]" 1
381 1 83 GLU H 1 83 GLU HB2 1.800 . 3.850 2.373 2.201 2.574 . 0 0 "[ . 1 . 2 .]" 1
382 1 84 GLY H 1 85 LEU H 1.800 . 3.850 2.457 2.110 3.588 . 0 0 "[ . 1 . 2 .]" 1
383 1 83 GLU HB2 1 84 GLY H 1.800 . 4.500 2.955 2.429 3.796 . 0 0 "[ . 1 . 2 .]" 1
384 1 83 GLU HA 1 84 GLY H 1.800 . 3.850 3.494 3.225 3.585 . 0 0 "[ . 1 . 2 .]" 1
385 1 85 LEU H 1 86 GLY H 1.800 . 3.850 2.465 2.093 2.739 . 0 0 "[ . 1 . 2 .]" 1
386 1 84 GLY HA2 1 85 LEU H 1.800 . 3.850 2.748 2.252 2.940 . 0 0 "[ . 1 . 2 .]" 1
387 1 85 LEU H 1 85 LEU HB2 1.800 . 2.850 2.422 2.345 2.685 . 0 0 "[ . 1 . 2 .]" 1
388 1 85 LEU H 1 85 LEU HG 1.800 . 3.850 2.566 2.251 3.380 . 0 0 "[ . 1 . 2 .]" 1
389 1 85 LEU H 1 85 LEU HB3 1.800 . 3.850 3.639 3.603 3.805 . 0 0 "[ . 1 . 2 .]" 1
390 1 85 LEU H 1 85 LEU MD1 1.800 . 5.000 3.654 3.104 4.172 . 0 0 "[ . 1 . 2 .]" 1
391 1 84 GLY HA2 1 86 GLY H 1.800 . 4.500 4.038 3.484 4.508 0.008 14 0 "[ . 1 . 2 .]" 1
392 1 85 LEU HB2 1 86 GLY H 1.800 . 3.850 2.502 2.133 2.897 . 0 0 "[ . 1 . 2 .]" 1
393 1 86 GLY HA3 1 87 GLU H 1.800 . 3.850 2.905 2.511 3.342 . 0 0 "[ . 1 . 2 .]" 1
394 1 86 GLY HA2 1 87 GLU H 1.800 . 3.850 2.385 2.186 2.712 . 0 0 "[ . 1 . 2 .]" 1
395 1 87 GLU H 1 87 GLU HG2 1.800 . 2.850 2.237 1.985 2.857 0.007 19 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 212
_Distance_constraint_stats_list.Viol_count 287
_Distance_constraint_stats_list.Viol_total 336.213
_Distance_constraint_stats_list.Viol_max 0.167
_Distance_constraint_stats_list.Viol_rms 0.0156
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0025
_Distance_constraint_stats_list.Viol_average_violations_only 0.0469
_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 ALA 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 2 GLN 0.013 0.003 2 0 "[ . 1 . 2 .]"
1 3 LYS 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 4 THR 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 5 PHE 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 6 LYS 0.364 0.038 15 0 "[ . 1 . 2 .]"
1 7 VAL 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 9 ALA 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 10 ASP 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 12 GLY 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 13 ILE 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 15 ALA 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 16 ARG 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 17 PRO 0.027 0.019 19 0 "[ . 1 . 2 .]"
1 18 ALA 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 19 THR 0.297 0.022 25 0 "[ . 1 . 2 .]"
1 20 VAL 6.469 0.167 20 0 "[ . 1 . 2 .]"
1 21 LEU 2.395 0.114 7 0 "[ . 1 . 2 .]"
1 22 VAL 0.982 0.075 20 0 "[ . 1 . 2 .]"
1 23 GLN 1.455 0.088 15 0 "[ . 1 . 2 .]"
1 24 THR 0.038 0.032 20 0 "[ . 1 . 2 .]"
1 25 ALA 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 27 LYS 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 28 TYR 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 30 ALA 0.007 0.007 2 0 "[ . 1 . 2 .]"
1 31 ASP 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 32 VAL 1.157 0.112 10 0 "[ . 1 . 2 .]"
1 33 ASN 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 34 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 35 GLU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 36 TYR 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 40 THR 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 41 VAL 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 42 ASN 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 43 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 44 LYS 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 45 SER 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 46 ILE 0.945 0.075 20 0 "[ . 1 . 2 .]"
1 47 MET 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 48 GLY 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 49 VAL 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 50 VAL 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 52 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 54 ILE 0.305 0.106 5 0 "[ . 1 . 2 .]"
1 55 ALA 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 56 LYS 0.651 0.150 9 0 "[ . 1 . 2 .]"
1 58 ALA 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 59 GLU 0.364 0.038 15 0 "[ . 1 . 2 .]"
1 60 ILE 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 61 THR 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 62 ILE 0.139 0.054 18 0 "[ . 1 . 2 .]"
1 63 SER 0.013 0.003 2 0 "[ . 1 . 2 .]"
1 64 ALA 1.157 0.112 10 0 "[ . 1 . 2 .]"
1 65 SER 1.191 0.109 14 0 "[ . 1 . 2 .]"
1 66 GLY 0.007 0.007 2 0 "[ . 1 . 2 .]"
1 68 ASP 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 69 GLU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 71 ASP 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 72 ALA 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 73 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 74 ASN 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 75 ALA 0.038 0.032 20 0 "[ . 1 . 2 .]"
1 76 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 77 GLU 0.650 0.041 25 0 "[ . 1 . 2 .]"
1 78 GLU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 79 THR 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 80 MET 0.650 0.041 25 0 "[ . 1 . 2 .]"
1 81 LYS 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 83 GLU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 85 LEU 0.027 0.019 19 0 "[ . 1 . 2 .]"
1 86 GLY 0.000 0.000 . 0 "[ . 1 . 2 .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 ALA MB 1 65 SER HA 1.800 . 5.000 3.767 3.261 4.163 . 0 0 "[ . 1 . 2 .]" 2
2 1 2 GLN HA 1 63 SER HA 1.800 . 2.850 2.076 1.973 2.237 . 0 0 "[ . 1 . 2 .]" 2
3 1 2 GLN HA 1 63 SER HB2 1.800 . 4.500 4.399 4.193 4.503 0.003 2 0 "[ . 1 . 2 .]" 2
4 1 2 GLN HA 1 2 GLN HB3 1.800 . 2.850 2.415 2.398 2.432 . 0 0 "[ . 1 . 2 .]" 2
5 1 2 GLN HA 1 62 ILE MG 1.800 . 5.000 3.969 3.717 4.156 . 0 0 "[ . 1 . 2 .]" 2
6 1 2 GLN HA 1 73 LEU MD2 1.800 . 6.000 3.435 2.880 4.155 . 0 0 "[ . 1 . 2 .]" 2
7 1 3 LYS HB2 1 73 LEU MD2 1.800 . 6.000 3.528 2.876 4.250 . 0 0 "[ . 1 . 2 .]" 2
8 1 3 LYS HA 1 3 LYS QG 1.800 . 4.500 2.109 1.982 2.289 . 0 0 "[ . 1 . 2 .]" 2
9 1 4 THR HA 1 4 THR MG 1.800 . 5.000 2.277 2.125 2.385 . 0 0 "[ . 1 . 2 .]" 2
10 1 5 PHE HA 1 5 PHE HB3 1.800 . 2.850 2.526 2.462 2.585 . 0 0 "[ . 1 . 2 .]" 2
11 1 5 PHE HB2 1 60 ILE MD 1.800 . 6.000 2.159 1.958 2.545 . 0 0 "[ . 1 . 2 .]" 2
12 1 5 PHE HB3 1 60 ILE MD 1.800 . 6.000 2.866 2.354 3.183 . 0 0 "[ . 1 . 2 .]" 2
13 1 5 PHE HB2 1 60 ILE HG13 1.800 . 4.500 2.078 1.986 2.283 . 0 0 "[ . 1 . 2 .]" 2
14 1 5 PHE HB3 1 60 ILE HG13 1.800 . 4.500 3.565 3.259 3.907 . 0 0 "[ . 1 . 2 .]" 2
15 1 5 PHE HB3 1 60 ILE HG12 1.800 . 4.500 3.897 3.642 4.284 . 0 0 "[ . 1 . 2 .]" 2
16 1 7 VAL HA 1 86 GLY HA3 1.800 . 3.850 2.874 2.256 3.428 . 0 0 "[ . 1 . 2 .]" 2
17 1 7 VAL HA 1 86 GLY HA2 1.800 . 3.850 3.295 2.487 3.804 . 0 0 "[ . 1 . 2 .]" 2
18 1 7 VAL HA 1 7 VAL MG1 1.800 . 5.000 2.309 2.162 2.372 . 0 0 "[ . 1 . 2 .]" 2
19 1 7 VAL HA 1 7 VAL MG2 1.800 . 5.000 2.420 2.327 2.523 . 0 0 "[ . 1 . 2 .]" 2
20 1 7 VAL HB 1 58 ALA MB 1.800 . 4.350 2.275 2.021 2.626 . 0 0 "[ . 1 . 2 .]" 2
21 1 7 VAL MG1 1 12 GLY HA2 1.800 . 5.000 2.604 2.007 3.396 . 0 0 "[ . 1 . 2 .]" 2
22 1 7 VAL MG1 1 56 LYS HA 1.800 . 5.000 3.013 2.442 3.763 . 0 0 "[ . 1 . 2 .]" 2
23 1 9 ALA MB 1 85 LEU MD2 1.800 . 5.000 2.428 1.932 2.816 . 0 0 "[ . 1 . 2 .]" 2
24 1 7 VAL MG1 1 9 ALA MB 1.800 . 5.000 3.079 2.836 3.360 . 0 0 "[ . 1 . 2 .]" 2
25 1 10 ASP HA 1 56 LYS QD 1.800 . 3.850 2.714 1.951 3.445 . 0 0 "[ . 1 . 2 .]" 2
26 1 12 GLY HA3 1 55 ALA HA 1.800 . 2.850 2.335 1.992 2.848 . 0 0 "[ . 1 . 2 .]" 2
27 1 12 GLY HA2 1 55 ALA HA 1.800 . 4.500 3.335 2.520 4.078 . 0 0 "[ . 1 . 2 .]" 2
28 1 13 ILE HA 1 13 ILE HG12 1.800 . 3.850 2.766 2.571 3.376 . 0 0 "[ . 1 . 2 .]" 2
29 1 13 ILE HA 1 13 ILE HG13 1.800 . 4.500 3.235 2.944 3.850 . 0 0 "[ . 1 . 2 .]" 2
30 1 13 ILE HA 1 17 PRO HG2 1.800 . 4.500 2.090 1.975 2.404 . 0 0 "[ . 1 . 2 .]" 2
31 1 13 ILE HB 1 54 ILE HB 1.800 . 2.850 2.280 1.986 2.623 . 0 0 "[ . 1 . 2 .]" 2
32 1 13 ILE HB 1 54 ILE MG 1.800 . 5.000 3.059 2.552 3.570 . 0 0 "[ . 1 . 2 .]" 2
33 1 13 ILE HA 1 13 ILE MG 1.800 . 5.000 2.308 2.160 2.395 . 0 0 "[ . 1 . 2 .]" 2
34 1 13 ILE HG12 1 13 ILE MG 1.800 . 5.000 2.497 2.173 3.204 . 0 0 "[ . 1 . 2 .]" 2
35 1 13 ILE HA 1 13 ILE MD 1.800 . 5.000 3.440 2.056 3.879 . 0 0 "[ . 1 . 2 .]" 2
36 1 15 ALA HA 1 18 ALA MB 1.800 . 5.000 2.135 1.968 2.426 . 0 0 "[ . 1 . 2 .]" 2
37 1 15 ALA HA 1 46 ILE MG 1.800 . 5.000 2.311 2.108 2.512 . 0 0 "[ . 1 . 2 .]" 2
38 1 15 ALA MB 1 46 ILE MG 1.800 . 5.000 2.480 2.327 2.704 . 0 0 "[ . 1 . 2 .]" 2
39 1 16 ARG HA 1 19 THR HB 1.800 . 4.500 3.900 3.503 4.061 . 0 0 "[ . 1 . 2 .]" 2
40 1 16 ARG HA 1 16 ARG QG 1.800 . 3.850 2.153 1.982 2.611 . 0 0 "[ . 1 . 2 .]" 2
41 1 16 ARG HA 1 19 THR MG 1.800 . 6.000 4.759 4.531 4.939 . 0 0 "[ . 1 . 2 .]" 2
42 1 16 ARG QB 1 16 ARG QD 1.800 . 3.850 2.134 1.955 2.397 . 0 0 "[ . 1 . 2 .]" 2
43 1 16 ARG HA 1 16 ARG QD 1.800 . 4.500 3.220 2.074 4.007 . 0 0 "[ . 1 . 2 .]" 2
44 1 17 PRO HA 1 20 VAL HB 1.800 . 3.850 3.021 2.874 3.253 . 0 0 "[ . 1 . 2 .]" 2
45 1 17 PRO HA 1 85 LEU QD 1.800 . 6.000 2.861 2.207 3.367 . 0 0 "[ . 1 . 2 .]" 2
46 1 17 PRO HB3 1 85 LEU QD 1.800 . 6.000 2.048 1.781 2.505 0.019 19 0 "[ . 1 . 2 .]" 2
47 1 18 ALA HA 1 21 LEU QD 1.800 . 6.000 2.880 2.043 3.205 . 0 0 "[ . 1 . 2 .]" 2
48 1 18 ALA HA 1 21 LEU HG 1.800 . 4.500 4.053 3.778 4.270 . 0 0 "[ . 1 . 2 .]" 2
49 1 18 ALA HA 1 21 LEU HB2 1.800 . 4.500 2.901 2.721 3.036 . 0 0 "[ . 1 . 2 .]" 2
50 1 18 ALA HA 1 49 VAL MG1 1.800 . 5.000 3.880 3.507 4.168 . 0 0 "[ . 1 . 2 .]" 2
51 1 17 PRO HB2 1 18 ALA MB 1.800 . 6.000 4.573 4.485 4.656 . 0 0 "[ . 1 . 2 .]" 2
52 1 18 ALA MB 1 49 VAL MG1 1.800 . 5.000 2.770 2.464 3.353 . 0 0 "[ . 1 . 2 .]" 2
53 1 18 ALA MB 1 46 ILE MG 1.800 . 5.000 1.901 1.814 2.108 . 0 0 "[ . 1 . 2 .]" 2
54 1 18 ALA MB 1 46 ILE HG12 1.800 . 5.000 2.903 2.555 4.176 . 0 0 "[ . 1 . 2 .]" 2
55 1 19 THR HA 1 22 VAL HB 1.800 . 3.850 3.818 3.748 3.861 0.011 22 0 "[ . 1 . 2 .]" 2
56 1 19 THR HA 1 19 THR MG 1.800 . 5.000 2.134 2.016 2.263 . 0 0 "[ . 1 . 2 .]" 2
57 1 19 THR HA 1 22 VAL QG 1.800 . 5.000 1.827 1.815 1.836 . 0 0 "[ . 1 . 2 .]" 2
58 1 20 VAL HA 1 23 GLN HB2 1.800 . 4.500 3.044 2.770 3.186 . 0 0 "[ . 1 . 2 .]" 2
59 1 20 VAL HA 1 20 VAL HB 1.800 . 2.850 3.013 3.010 3.017 0.167 20 0 "[ . 1 . 2 .]" 2
60 1 20 VAL HA 1 20 VAL MG2 1.800 . 5.000 2.420 2.361 2.503 . 0 0 "[ . 1 . 2 .]" 2
61 1 20 VAL HB 1 21 LEU HG 1.800 . 2.850 2.946 2.919 2.964 0.114 7 0 "[ . 1 . 2 .]" 2
62 1 21 LEU HA 1 24 THR HB 1.800 . 3.850 3.379 2.979 3.742 . 0 0 "[ . 1 . 2 .]" 2
63 1 21 LEU HA 1 21 LEU QD 1.800 . 5.000 2.001 1.938 2.415 . 0 0 "[ . 1 . 2 .]" 2
64 1 21 LEU HB2 1 21 LEU QD 1.800 . 5.000 2.285 2.034 2.319 . 0 0 "[ . 1 . 2 .]" 2
65 1 21 LEU HB3 1 21 LEU QD 1.800 . 5.000 2.040 2.003 2.090 . 0 0 "[ . 1 . 2 .]" 2
66 1 21 LEU HB2 1 21 LEU HG 1.800 . 2.850 2.523 2.500 2.700 . 0 0 "[ . 1 . 2 .]" 2
67 1 21 LEU QD 1 85 LEU QD 1.800 . 6.000 3.178 2.755 3.310 . 0 0 "[ . 1 . 2 .]" 2
68 1 22 VAL HA 1 25 ALA MB 1.800 . 5.000 3.065 2.793 3.335 . 0 0 "[ . 1 . 2 .]" 2
69 1 22 VAL HA 1 22 VAL MG1 1.800 . 4.350 3.205 3.199 3.212 . 0 0 "[ . 1 . 2 .]" 2
70 1 22 VAL MG2 1 44 LYS HA 1.800 . 5.000 1.893 1.838 1.982 . 0 0 "[ . 1 . 2 .]" 2
71 1 22 VAL HA 1 22 VAL MG2 1.800 . 5.000 2.273 2.234 2.349 . 0 0 "[ . 1 . 2 .]" 2
72 1 22 VAL MG2 1 44 LYS QB 1.800 . 5.000 2.835 2.249 3.387 . 0 0 "[ . 1 . 2 .]" 2
73 1 22 VAL MG2 1 23 GLN HA 1.800 . 5.000 3.779 3.721 3.839 . 0 0 "[ . 1 . 2 .]" 2
74 1 23 GLN HA 1 23 GLN HG3 1.800 . 4.500 3.540 3.447 3.695 . 0 0 "[ . 1 . 2 .]" 2
75 1 23 GLN HA 1 23 GLN HG2 1.800 . 3.850 2.251 2.131 2.492 . 0 0 "[ . 1 . 2 .]" 2
76 1 23 GLN HB3 1 23 GLN HG2 1.800 . 2.850 2.888 2.866 2.938 0.088 15 0 "[ . 1 . 2 .]" 2
77 1 23 GLN HB3 1 23 GLN HG3 1.800 . 2.850 2.834 2.751 2.862 0.012 12 0 "[ . 1 . 2 .]" 2
78 1 23 GLN HB2 1 23 GLN HG3 1.800 . 2.850 2.256 2.251 2.274 . 0 0 "[ . 1 . 2 .]" 2
79 1 23 GLN HB2 1 23 GLN HG2 1.800 . 2.850 2.836 2.754 2.865 0.015 14 0 "[ . 1 . 2 .]" 2
80 1 19 THR HB 1 23 GLN HG3 1.800 . 4.500 4.507 4.433 4.522 0.022 25 0 "[ . 1 . 2 .]" 2
81 1 24 THR HA 1 27 LYS QB 1.800 . 4.500 3.797 3.372 4.034 . 0 0 "[ . 1 . 2 .]" 2
82 1 24 THR HA 1 24 THR MG 1.800 . 5.000 2.207 2.061 2.353 . 0 0 "[ . 1 . 2 .]" 2
83 1 24 THR HB 1 76 LEU MD2 1.800 . 5.000 1.997 1.912 2.253 . 0 0 "[ . 1 . 2 .]" 2
84 1 24 THR MG 1 76 LEU MD1 1.800 . 6.000 3.361 2.948 3.667 . 0 0 "[ . 1 . 2 .]" 2
85 1 28 TYR HB2 1 72 ALA MB 1.800 . 5.000 2.418 2.156 2.708 . 0 0 "[ . 1 . 2 .]" 2
86 1 28 TYR HB3 1 72 ALA MB 1.800 . 5.000 2.043 1.944 2.196 . 0 0 "[ . 1 . 2 .]" 2
87 1 30 ALA HA 1 66 GLY HA3 1.800 . 2.850 2.011 1.973 2.325 . 0 0 "[ . 1 . 2 .]" 2
88 1 30 ALA HA 1 66 GLY HA2 1.800 . 3.850 3.687 3.502 3.857 0.007 2 0 "[ . 1 . 2 .]" 2
89 1 30 ALA MB 1 66 GLY HA3 1.800 . 5.000 2.763 2.440 3.194 . 0 0 "[ . 1 . 2 .]" 2
90 1 30 ALA MB 1 69 GLU HA 1.800 . 5.000 2.065 1.937 2.229 . 0 0 "[ . 1 . 2 .]" 2
91 1 31 ASP HA 1 31 ASP HB3 1.800 . 2.850 2.541 2.447 2.670 . 0 0 "[ . 1 . 2 .]" 2
92 1 32 VAL HA 1 64 ALA HA 1.800 . 2.850 1.971 1.950 1.993 . 0 0 "[ . 1 . 2 .]" 2
93 1 32 VAL HA 1 64 ALA MB 1.800 . 4.500 3.342 3.060 3.455 . 0 0 "[ . 1 . 2 .]" 2
94 1 32 VAL HA 1 32 VAL MG1 1.800 . 4.350 2.336 2.293 2.391 . 0 0 "[ . 1 . 2 .]" 2
95 1 32 VAL MG1 1 64 ALA MB 1.800 . 3.350 1.759 1.688 1.872 0.112 10 0 "[ . 1 . 2 .]" 2
96 1 28 TYR HB2 1 32 VAL MG1 1.800 . 4.350 3.666 3.652 3.686 . 0 0 "[ . 1 . 2 .]" 2
97 1 32 VAL MG1 1 64 ALA HA 1.800 . 4.350 2.026 1.946 2.252 . 0 0 "[ . 1 . 2 .]" 2
98 1 32 VAL HA 1 32 VAL MG2 1.800 . 4.350 3.200 3.187 3.217 . 0 0 "[ . 1 . 2 .]" 2
99 1 32 VAL MG2 1 64 ALA HA 1.800 . 5.000 4.230 4.213 4.256 . 0 0 "[ . 1 . 2 .]" 2
100 1 33 ASN HA 1 42 ASN HA 1.800 . 3.850 2.456 2.068 2.860 . 0 0 "[ . 1 . 2 .]" 2
101 1 33 ASN HA 1 40 THR MG 1.800 . 5.000 4.176 4.133 4.198 . 0 0 "[ . 1 . 2 .]" 2
102 1 33 ASN QB 1 40 THR MG 1.800 . 5.000 2.168 2.004 2.489 . 0 0 "[ . 1 . 2 .]" 2
103 1 34 LEU HA 1 34 LEU QD 1.800 . 5.000 2.858 1.929 3.027 . 0 0 "[ . 1 . 2 .]" 2
104 1 34 LEU HA 1 62 ILE MD 1.800 . 5.000 4.172 3.984 4.198 . 0 0 "[ . 1 . 2 .]" 2
105 1 34 LEU HB2 1 62 ILE HG12 1.800 . 4.500 3.050 2.258 3.661 . 0 0 "[ . 1 . 2 .]" 2
106 1 34 LEU HA 1 34 LEU HG 1.800 . 3.850 2.292 2.091 3.189 . 0 0 "[ . 1 . 2 .]" 2
107 1 34 LEU QD 1 49 VAL QG 1.800 . 6.000 3.114 2.695 3.312 . 0 0 "[ . 1 . 2 .]" 2
108 1 35 GLU HA 1 40 THR HA 1.800 . 2.850 2.238 1.971 2.651 . 0 0 "[ . 1 . 2 .]" 2
109 1 35 GLU HA 1 40 THR MG 1.800 . 5.000 3.312 2.386 3.796 . 0 0 "[ . 1 . 2 .]" 2
110 1 35 GLU HA 1 35 GLU HG2 1.800 . 3.850 2.981 2.261 3.707 . 0 0 "[ . 1 . 2 .]" 2
111 1 36 TYR HA 1 60 ILE MG 1.800 . 5.000 3.390 2.424 3.992 . 0 0 "[ . 1 . 2 .]" 2
112 1 36 TYR HA 1 60 ILE HA 1.800 . 4.500 3.322 2.867 3.855 . 0 0 "[ . 1 . 2 .]" 2
113 1 36 TYR HB3 1 52 LEU QD 1.800 . 5.000 2.197 1.826 3.413 . 0 0 "[ . 1 . 2 .]" 2
114 1 36 TYR HB2 1 52 LEU QD 1.800 . 6.000 3.037 2.244 3.724 . 0 0 "[ . 1 . 2 .]" 2
115 1 35 GLU HB2 1 40 THR HA 1.800 . 4.500 3.804 2.560 4.430 . 0 0 "[ . 1 . 2 .]" 2
116 1 40 THR HA 1 40 THR MG 1.800 . 5.000 2.286 2.063 2.377 . 0 0 "[ . 1 . 2 .]" 2
117 1 41 VAL HA 1 41 VAL MG1 1.800 . 5.000 2.094 2.025 2.252 . 0 0 "[ . 1 . 2 .]" 2
118 1 41 VAL HB 1 48 GLY HA3 1.800 . 4.500 3.855 2.935 4.258 . 0 0 "[ . 1 . 2 .]" 2
119 1 41 VAL MG2 1 49 VAL HA 1.800 . 5.000 2.882 2.213 3.288 . 0 0 "[ . 1 . 2 .]" 2
120 1 41 VAL MG2 1 49 VAL MG2 1.800 . 5.000 2.682 2.240 3.109 . 0 0 "[ . 1 . 2 .]" 2
121 1 42 ASN QB 1 45 SER HB2 1.800 . 4.500 2.921 2.481 3.876 . 0 0 "[ . 1 . 2 .]" 2
122 1 42 ASN QB 1 45 SER HB3 1.800 . 4.500 4.021 3.925 4.045 . 0 0 "[ . 1 . 2 .]" 2
123 1 43 LEU HA 1 43 LEU HG 1.800 . 3.850 3.141 2.464 3.652 . 0 0 "[ . 1 . 2 .]" 2
124 1 43 LEU HA 1 49 VAL MG2 1.800 . 5.000 3.876 3.140 4.183 . 0 0 "[ . 1 . 2 .]" 2
125 1 43 LEU HA 1 43 LEU QD 1.800 . 5.000 2.016 1.874 2.247 . 0 0 "[ . 1 . 2 .]" 2
126 1 43 LEU HB2 1 43 LEU QD 1.800 . 5.000 2.219 2.023 2.387 . 0 0 "[ . 1 . 2 .]" 2
127 1 43 LEU HB3 1 43 LEU QD 1.800 . 5.000 2.137 2.050 2.178 . 0 0 "[ . 1 . 2 .]" 2
128 1 46 ILE HA 1 46 ILE HG13 1.800 . 4.500 3.218 3.134 3.766 . 0 0 "[ . 1 . 2 .]" 2
129 1 15 ALA MB 1 46 ILE HA 1.800 . 6.000 5.021 5.005 5.037 . 0 0 "[ . 1 . 2 .]" 2
130 1 46 ILE HA 1 46 ILE HG12 1.800 . 3.850 2.561 2.479 3.137 . 0 0 "[ . 1 . 2 .]" 2
131 1 22 VAL HB 1 46 ILE HA 1.800 . 4.500 4.538 4.512 4.575 0.075 20 0 "[ . 1 . 2 .]" 2
132 1 46 ILE HA 1 46 ILE MG 1.800 . 5.000 2.353 2.320 2.393 . 0 0 "[ . 1 . 2 .]" 2
133 1 46 ILE HG12 1 46 ILE MG 1.800 . 5.000 2.419 2.306 3.209 . 0 0 "[ . 1 . 2 .]" 2
134 1 18 ALA MB 1 46 ILE MD 1.800 . 6.000 3.444 1.865 3.843 . 0 0 "[ . 1 . 2 .]" 2
135 1 46 ILE MG 1 47 MET HA 1.800 . 4.500 3.690 3.492 3.757 . 0 0 "[ . 1 . 2 .]" 2
136 1 49 VAL MG1 1 54 ILE HG13 1.800 . 5.000 3.718 3.072 4.144 . 0 0 "[ . 1 . 2 .]" 2
137 1 49 VAL MG1 1 54 ILE HG12 1.800 . 6.000 4.627 4.192 5.007 . 0 0 "[ . 1 . 2 .]" 2
138 1 15 ALA HA 1 50 VAL QG 1.800 . 5.000 2.824 2.372 3.715 . 0 0 "[ . 1 . 2 .]" 2
139 1 52 LEU HA 1 52 LEU QD 1.800 . 5.000 2.390 1.951 2.994 . 0 0 "[ . 1 . 2 .]" 2
140 1 52 LEU HB3 1 52 LEU QD 1.800 . 5.000 2.112 2.010 2.240 . 0 0 "[ . 1 . 2 .]" 2
141 1 52 LEU HB2 1 52 LEU QD 1.800 . 5.000 2.128 1.939 2.298 . 0 0 "[ . 1 . 2 .]" 2
142 1 54 ILE HA 1 54 ILE HG13 1.800 . 3.850 2.950 2.711 3.177 . 0 0 "[ . 1 . 2 .]" 2
143 1 54 ILE HA 1 54 ILE MD 1.800 . 6.000 3.882 3.841 3.903 . 0 0 "[ . 1 . 2 .]" 2
144 1 54 ILE HA 1 54 ILE MG 1.800 . 5.000 2.266 2.195 2.395 . 0 0 "[ . 1 . 2 .]" 2
145 1 54 ILE HA 1 54 ILE HG12 1.800 . 3.850 2.724 2.586 2.864 . 0 0 "[ . 1 . 2 .]" 2
146 1 52 LEU HB3 1 54 ILE HG13 1.800 . 4.500 2.975 2.207 3.781 . 0 0 "[ . 1 . 2 .]" 2
147 1 52 LEU HB2 1 54 ILE HG13 1.800 . 3.850 2.835 2.296 3.283 . 0 0 "[ . 1 . 2 .]" 2
148 1 54 ILE HG12 1 54 ILE MG 1.800 . 5.000 2.266 2.062 2.390 . 0 0 "[ . 1 . 2 .]" 2
149 1 54 ILE MG 1 58 ALA MB 1.800 . 5.000 2.231 1.822 2.620 . 0 0 "[ . 1 . 2 .]" 2
150 1 54 ILE HG13 1 54 ILE MG 1.800 . 5.000 3.169 3.124 3.196 . 0 0 "[ . 1 . 2 .]" 2
151 1 54 ILE MD 1 54 ILE MG 1.800 . 5.000 2.018 1.694 2.359 0.106 5 0 "[ . 1 . 2 .]" 2
152 1 7 VAL MG1 1 54 ILE MG 1.800 . 5.000 2.261 1.817 2.835 . 0 0 "[ . 1 . 2 .]" 2
153 1 54 ILE HB 1 54 ILE MD 1.800 . 4.350 2.259 2.094 2.399 . 0 0 "[ . 1 . 2 .]" 2
154 1 52 LEU QD 1 54 ILE MD 1.800 . 5.500 2.809 1.940 3.404 . 0 0 "[ . 1 . 2 .]" 2
155 1 56 LYS HA 1 56 LYS HB3 1.800 . 2.850 2.566 2.425 3.000 0.150 9 0 "[ . 1 . 2 .]" 2
156 1 7 VAL MG1 1 58 ALA MB 1.800 . 5.000 2.953 2.521 3.349 . 0 0 "[ . 1 . 2 .]" 2
157 1 6 LYS HA 1 59 GLU HA 1.800 . 2.850 2.859 2.780 2.888 0.038 15 0 "[ . 1 . 2 .]" 2
158 1 60 ILE HA 1 60 ILE HB 1.800 . 2.850 2.518 2.504 2.535 . 0 0 "[ . 1 . 2 .]" 2
159 1 60 ILE HA 1 60 ILE HG12 1.800 . 4.500 3.696 3.661 3.724 . 0 0 "[ . 1 . 2 .]" 2
160 1 34 LEU QD 1 60 ILE HA 1.800 . 5.000 3.371 3.000 3.711 . 0 0 "[ . 1 . 2 .]" 2
161 1 60 ILE HA 1 60 ILE MD 1.800 . 5.000 4.132 4.124 4.139 . 0 0 "[ . 1 . 2 .]" 2
162 1 60 ILE HA 1 60 ILE MG 1.800 . 5.000 2.287 2.175 2.372 . 0 0 "[ . 1 . 2 .]" 2
163 1 36 TYR HB2 1 60 ILE MG 1.800 . 5.000 2.904 2.166 4.163 . 0 0 "[ . 1 . 2 .]" 2
164 1 61 THR HA 1 61 THR MG 1.800 . 4.350 2.146 2.008 2.274 . 0 0 "[ . 1 . 2 .]" 2
165 1 62 ILE HA 1 62 ILE HG12 1.800 . 3.850 2.563 2.462 3.510 . 0 0 "[ . 1 . 2 .]" 2
166 1 62 ILE HA 1 62 ILE MD 1.800 . 5.000 3.795 3.232 3.836 . 0 0 "[ . 1 . 2 .]" 2
167 1 62 ILE HB 1 62 ILE MD 1.800 . 5.000 2.251 2.031 2.388 . 0 0 "[ . 1 . 2 .]" 2
168 1 62 ILE HA 1 62 ILE HG13 1.800 . 3.850 2.948 2.284 3.153 . 0 0 "[ . 1 . 2 .]" 2
169 1 62 ILE HA 1 62 ILE MG 1.800 . 5.000 2.327 2.275 2.389 . 0 0 "[ . 1 . 2 .]" 2
170 1 62 ILE MD 1 62 ILE MG 1.800 . 5.000 1.984 1.746 3.148 0.054 18 0 "[ . 1 . 2 .]" 2
171 1 2 GLN HB3 1 63 SER HA 1.800 . 2.850 2.068 1.981 2.162 . 0 0 "[ . 1 . 2 .]" 2
172 1 64 ALA MB 1 69 GLU HA 1.800 . 4.500 2.154 1.960 2.444 . 0 0 "[ . 1 . 2 .]" 2
173 1 65 SER HA 1 69 GLU HB2 1.800 . 3.850 3.160 2.942 3.333 . 0 0 "[ . 1 . 2 .]" 2
174 1 65 SER HA 1 69 GLU HB3 1.800 . 3.850 2.752 2.258 2.952 . 0 0 "[ . 1 . 2 .]" 2
175 1 65 SER HA 1 65 SER HB2 1.800 . 2.850 2.892 2.852 2.959 0.109 14 0 "[ . 1 . 2 .]" 2
176 1 65 SER HA 1 65 SER HB3 1.800 . 2.850 2.673 2.277 2.866 0.016 3 0 "[ . 1 . 2 .]" 2
177 1 31 ASP HB2 1 65 SER HB2 1.800 . 4.500 3.550 2.380 4.444 . 0 0 "[ . 1 . 2 .]" 2
178 1 68 ASP HA 1 68 ASP HB3 1.800 . 2.850 2.421 2.407 2.435 . 0 0 "[ . 1 . 2 .]" 2
179 1 72 ALA HA 1 75 ALA MB 1.800 . 5.000 2.411 2.252 2.550 . 0 0 "[ . 1 . 2 .]" 2
180 1 64 ALA MB 1 72 ALA MB 1.800 . 5.000 2.415 2.239 2.838 . 0 0 "[ . 1 . 2 .]" 2
181 1 73 LEU HA 1 73 LEU MD1 1.800 . 4.350 3.512 3.469 3.591 . 0 0 "[ . 1 . 2 .]" 2
182 1 73 LEU QB 1 73 LEU MD1 1.800 . 5.000 2.081 2.073 2.089 . 0 0 "[ . 1 . 2 .]" 2
183 1 73 LEU QB 1 73 LEU MD2 1.800 . 5.000 2.066 2.012 2.090 . 0 0 "[ . 1 . 2 .]" 2
184 1 64 ALA MB 1 73 LEU HG 1.800 . 5.000 4.059 3.648 4.187 . 0 0 "[ . 1 . 2 .]" 2
185 1 73 LEU HA 1 73 LEU HG 1.800 . 4.500 3.606 3.556 3.634 . 0 0 "[ . 1 . 2 .]" 2
186 1 74 ASN HA 1 77 GLU QB 1.800 . 2.850 2.148 1.987 2.324 . 0 0 "[ . 1 . 2 .]" 2
187 1 71 ASP HA 1 74 ASN QB 1.800 . 5.500 4.302 4.213 4.379 . 0 0 "[ . 1 . 2 .]" 2
188 1 75 ALA HA 1 78 GLU QG 1.800 . 4.500 2.691 2.329 3.596 . 0 0 "[ . 1 . 2 .]" 2
189 1 24 THR MG 1 75 ALA MB 1.800 . 5.000 1.904 1.768 2.181 0.032 20 0 "[ . 1 . 2 .]" 2
190 1 76 LEU HA 1 76 LEU HG 1.800 . 3.850 2.539 2.470 2.584 . 0 0 "[ . 1 . 2 .]" 2
191 1 76 LEU HB2 1 76 LEU MD1 1.800 . 5.000 1.992 1.954 2.088 . 0 0 "[ . 1 . 2 .]" 2
192 1 76 LEU HB2 1 76 LEU MD2 1.800 . 5.000 2.955 2.885 2.999 . 0 0 "[ . 1 . 2 .]" 2
193 1 24 THR MG 1 76 LEU MD2 1.800 . 5.000 3.068 2.838 3.238 . 0 0 "[ . 1 . 2 .]" 2
194 1 77 GLU HA 1 80 MET HB2 1.800 . 3.850 2.931 2.883 3.008 . 0 0 "[ . 1 . 2 .]" 2
195 1 77 GLU HA 1 80 MET HB3 1.800 . 4.500 4.526 4.510 4.541 0.041 25 0 "[ . 1 . 2 .]" 2
196 1 78 GLU HA 1 78 GLU QG 1.800 . 3.850 3.315 3.303 3.361 . 0 0 "[ . 1 . 2 .]" 2
197 1 79 THR HA 1 79 THR MG 1.800 . 5.000 2.282 2.071 2.399 . 0 0 "[ . 1 . 2 .]" 2
198 1 76 LEU HA 1 79 THR HB 1.800 . 3.850 2.652 2.381 2.866 . 0 0 "[ . 1 . 2 .]" 2
199 1 21 LEU QD 1 79 THR HB 1.800 . 6.600 3.310 2.857 3.746 . 0 0 "[ . 1 . 2 .]" 2
200 1 21 LEU HA 1 79 THR MG 1.800 . 5.000 4.080 3.675 4.177 . 0 0 "[ . 1 . 2 .]" 2
201 1 81 LYS HA 1 81 LYS HG2 1.800 . 3.850 2.744 2.434 3.369 . 0 0 "[ . 1 . 2 .]" 2
202 1 78 GLU HA 1 81 LYS QB 1.800 . 2.850 2.559 2.534 2.576 . 0 0 "[ . 1 . 2 .]" 2
203 1 85 LEU HA 1 85 LEU MD2 1.800 . 5.000 2.027 1.934 2.347 . 0 0 "[ . 1 . 2 .]" 2
204 1 80 MET HA 1 85 LEU HB2 1.800 . 4.500 2.649 2.286 3.028 . 0 0 "[ . 1 . 2 .]" 2
205 1 85 LEU HA 1 85 LEU HG 1.800 . 4.500 2.851 2.563 3.001 . 0 0 "[ . 1 . 2 .]" 2
206 1 83 GLU HB3 1 85 LEU HG 1.800 . 4.500 2.996 2.008 4.001 . 0 0 "[ . 1 . 2 .]" 2
207 1 80 MET HA 1 85 LEU MD1 1.800 . 5.000 3.000 2.424 3.479 . 0 0 "[ . 1 . 2 .]" 2
208 1 85 LEU HB3 1 85 LEU MD1 1.800 . 5.000 2.427 2.314 2.611 . 0 0 "[ . 1 . 2 .]" 2
209 1 83 GLU HB3 1 85 LEU MD2 1.800 . 5.000 3.567 2.776 4.175 . 0 0 "[ . 1 . 2 .]" 2
210 1 83 GLU HB2 1 85 LEU MD2 1.800 . 6.000 3.921 3.497 4.366 . 0 0 "[ . 1 . 2 .]" 2
211 1 85 LEU HB3 1 85 LEU MD2 1.800 . 5.000 2.235 2.144 2.291 . 0 0 "[ . 1 . 2 .]" 2
212 1 85 LEU HB2 1 85 LEU MD1 1.800 . 4.350 2.280 2.149 2.379 . 0 0 "[ . 1 . 2 .]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 51
_Distance_constraint_stats_list.Viol_count 21
_Distance_constraint_stats_list.Viol_total 3.729
_Distance_constraint_stats_list.Viol_max 0.015
_Distance_constraint_stats_list.Viol_rms 0.0010
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_Distance_constraint_stats_list.Viol_average_violations_only 0.0071
_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 3 LYS 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 4 THR 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 5 PHE 0.037 0.013 18 0 "[ . 1 . 2 .]"
1 24 THR 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 25 ALA 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 27 LYS 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 28 TYR 0.030 0.013 1 0 "[ . 1 . 2 .]"
1 36 TYR 0.081 0.015 12 0 "[ . 1 . 2 .]"
1 52 LEU 0.071 0.015 12 0 "[ . 1 . 2 .]"
1 54 ILE 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 58 ALA 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 60 ILE 0.011 0.011 13 0 "[ . 1 . 2 .]"
1 62 ILE 0.024 0.013 18 0 "[ . 1 . 2 .]"
1 68 ASP 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 71 ASP 0.012 0.011 13 0 "[ . 1 . 2 .]"
1 72 ALA 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 75 ALA 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 77 GLU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 80 MET 0.004 0.004 6 0 "[ . 1 . 2 .]"
1 87 GLU 0.009 0.004 16 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 36 TYR HD1 1 60 ILE HA 1.800 . 4.500 3.356 2.820 4.511 0.011 13 0 "[ . 1 . 2 .]" 3
2 1 36 TYR HA 1 36 TYR HD1 1.800 . 2.850 2.180 1.979 2.742 . 0 0 "[ . 1 . 2 .]" 3
3 1 36 TYR HD2 1 54 ILE HG12 1.800 . 4.500 3.061 2.353 3.675 . 0 0 "[ . 1 . 2 .]" 3
4 1 36 TYR HD2 1 54 ILE MG 1.800 . 6.000 4.610 3.893 5.021 . 0 0 "[ . 1 . 2 .]" 3
5 1 36 TYR HD2 1 54 ILE MD 1.800 . 6.000 3.745 3.112 4.189 . 0 0 "[ . 1 . 2 .]" 3
6 1 36 TYR HD1 1 60 ILE MG 1.800 . 5.000 2.607 1.909 4.165 . 0 0 "[ . 1 . 2 .]" 3
7 1 36 TYR HD2 1 52 LEU QD 1.800 . 5.000 2.198 1.858 2.829 . 0 0 "[ . 1 . 2 .]" 3
8 1 36 TYR HD2 1 52 LEU HB3 1.800 . 2.850 2.300 1.993 2.661 . 0 0 "[ . 1 . 2 .]" 3
9 1 36 TYR HD2 1 52 LEU HB2 1.800 . 3.850 3.744 3.216 3.865 0.015 12 0 "[ . 1 . 2 .]" 3
10 1 28 TYR HA 1 28 TYR HD1 1.800 . 2.850 2.703 2.550 2.863 0.013 1 0 "[ . 1 . 2 .]" 3
11 1 25 ALA HA 1 28 TYR HD2 1.800 . 2.850 2.038 1.976 2.263 . 0 0 "[ . 1 . 2 .]" 3
12 1 28 TYR QD 1 72 ALA HA 1.800 . 5.000 3.008 2.671 3.187 . 0 0 "[ . 1 . 2 .]" 3
13 1 28 TYR HB2 1 28 TYR HD2 1.800 . 2.850 2.391 2.354 2.426 . 0 0 "[ . 1 . 2 .]" 3
14 1 28 TYR HD1 1 68 ASP HB2 1.800 . 3.850 2.805 2.395 3.758 . 0 0 "[ . 1 . 2 .]" 3
15 1 28 TYR QD 1 72 ALA MB 1.800 . 5.000 2.812 2.499 3.023 . 0 0 "[ . 1 . 2 .]" 3
16 1 25 ALA MB 1 28 TYR HD2 1.800 . 5.000 3.783 3.719 3.971 . 0 0 "[ . 1 . 2 .]" 3
17 1 24 THR MG 1 28 TYR HD2 1.800 . 5.000 3.237 2.808 3.530 . 0 0 "[ . 1 . 2 .]" 3
18 1 4 THR HA 1 5 PHE QD 1.800 . 4.500 3.171 2.804 3.615 . 0 0 "[ . 1 . 2 .]" 3
19 1 5 PHE HA 1 5 PHE QD 1.800 . 4.500 2.988 2.815 3.109 . 0 0 "[ . 1 . 2 .]" 3
20 1 5 PHE QD 1 87 GLU HA 1.800 . 3.850 3.538 2.588 3.854 0.004 16 0 "[ . 1 . 2 .]" 3
21 1 5 PHE QD 1 62 ILE MD 1.800 . 5.000 2.545 1.847 3.012 . 0 0 "[ . 1 . 2 .]" 3
22 1 5 PHE HB3 1 5 PHE QD 1.800 . 2.850 2.364 2.305 2.433 . 0 0 "[ . 1 . 2 .]" 3
23 1 5 PHE HB2 1 5 PHE QD 1.800 . 2.850 2.475 2.393 2.597 . 0 0 "[ . 1 . 2 .]" 3
24 1 5 PHE QD 1 62 ILE MG 1.800 . 6.000 4.434 4.184 4.989 . 0 0 "[ . 1 . 2 .]" 3
25 1 5 PHE QD 1 80 MET HG3 1.800 . 3.850 3.681 3.435 3.854 0.004 6 0 "[ . 1 . 2 .]" 3
26 1 5 PHE QD 1 80 MET HB3 1.800 . 4.500 3.966 3.745 4.309 . 0 0 "[ . 1 . 2 .]" 3
27 1 5 PHE QE 1 77 GLU HA 1.800 . 3.850 2.003 1.932 2.153 . 0 0 "[ . 1 . 2 .]" 3
28 1 5 PHE QE 1 62 ILE MD 1.800 . 5.000 2.464 2.109 2.919 . 0 0 "[ . 1 . 2 .]" 3
29 1 5 PHE QE 1 62 ILE MG 1.800 . 5.000 3.646 3.354 3.945 . 0 0 "[ . 1 . 2 .]" 3
30 1 5 PHE QE 1 62 ILE HB 1.800 . 2.850 2.622 2.208 2.863 0.013 18 0 "[ . 1 . 2 .]" 3
31 1 5 PHE QE 1 77 GLU QB 1.800 . 2.850 2.634 2.344 2.764 . 0 0 "[ . 1 . 2 .]" 3
32 1 3 LYS HB2 1 5 PHE QE 1.800 . 4.500 3.207 2.169 3.727 . 0 0 "[ . 1 . 2 .]" 3
33 1 3 LYS QD 1 5 PHE QE 1.800 . 4.500 3.383 2.817 3.851 . 0 0 "[ . 1 . 2 .]" 3
34 1 36 TYR HE1 1 58 ALA HA 1.800 . 4.500 3.763 3.025 4.426 . 0 0 "[ . 1 . 2 .]" 3
35 1 36 TYR HE2 1 54 ILE HA 1.800 . 4.500 3.025 2.260 3.934 . 0 0 "[ . 1 . 2 .]" 3
36 1 36 TYR HE1 1 58 ALA MB 1.800 . 4.350 2.158 1.830 3.146 . 0 0 "[ . 1 . 2 .]" 3
37 1 36 TYR HE2 1 54 ILE MG 1.800 . 6.000 3.860 2.461 4.442 . 0 0 "[ . 1 . 2 .]" 3
38 1 36 TYR HE2 1 52 LEU QD 1.800 . 6.000 3.920 3.485 4.444 . 0 0 "[ . 1 . 2 .]" 3
39 1 36 TYR HE1 1 60 ILE MG 1.800 . 6.000 3.793 3.347 4.454 . 0 0 "[ . 1 . 2 .]" 3
40 1 5 PHE HZ 1 77 GLU HA 1.800 . 3.850 3.241 2.735 3.622 . 0 0 "[ . 1 . 2 .]" 3
41 1 5 PHE HZ 1 77 GLU QB 1.800 . 3.850 2.105 2.033 2.256 . 0 0 "[ . 1 . 2 .]" 3
42 1 3 LYS QD 1 5 PHE HZ 1.800 . 3.850 2.886 2.226 3.435 . 0 0 "[ . 1 . 2 .]" 3
43 1 25 ALA HA 1 28 TYR HE2 1.800 . 4.500 4.108 3.934 4.399 . 0 0 "[ . 1 . 2 .]" 3
44 1 24 THR HA 1 28 TYR HE2 1.800 . 5.500 3.903 3.642 4.549 . 0 0 "[ . 1 . 2 .]" 3
45 1 28 TYR QE 1 72 ALA HA 1.800 . 5.000 3.140 2.900 3.437 . 0 0 "[ . 1 . 2 .]" 3
46 1 28 TYR HE1 1 71 ASP HB3 1.800 . 3.850 2.042 1.984 2.337 . 0 0 "[ . 1 . 2 .]" 3
47 1 28 TYR HE1 1 71 ASP HB2 1.800 . 2.850 2.532 2.174 2.861 0.011 13 0 "[ . 1 . 2 .]" 3
48 1 28 TYR QE 1 72 ALA MB 1.800 . 6.000 3.931 3.585 4.197 . 0 0 "[ . 1 . 2 .]" 3
49 1 24 THR MG 1 28 TYR HE2 1.800 . 5.000 2.058 1.856 2.406 . 0 0 "[ . 1 . 2 .]" 3
50 1 28 TYR QE 1 75 ALA MB 1.800 . 5.000 1.977 1.908 2.213 . 0 0 "[ . 1 . 2 .]" 3
51 1 27 LYS QB 1 28 TYR HE2 1.800 . 5.000 3.740 3.338 4.103 . 0 0 "[ . 1 . 2 .]" 3
stop_
save_
save_distance_constraint_statistics_4
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 4
_Distance_constraint_stats_list.Constraint_count 197
_Distance_constraint_stats_list.Viol_count 105
_Distance_constraint_stats_list.Viol_total 79.120
_Distance_constraint_stats_list.Viol_max 0.097
_Distance_constraint_stats_list.Viol_rms 0.0059
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0006
_Distance_constraint_stats_list.Viol_average_violations_only 0.0301
_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 ALA 0.077 0.024 2 0 "[ . 1 . 2 .]"
1 2 GLN 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 3 LYS 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 4 THR 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 5 PHE 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 6 LYS 0.311 0.059 15 0 "[ . 1 . 2 .]"
1 7 VAL 0.311 0.059 15 0 "[ . 1 . 2 .]"
1 8 THR 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 9 ALA 0.012 0.010 23 0 "[ . 1 . 2 .]"
1 10 ASP 0.134 0.051 24 0 "[ . 1 . 2 .]"
1 11 SER 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 12 GLY 0.012 0.010 23 0 "[ . 1 . 2 .]"
1 13 ILE 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 16 ARG 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 17 PRO 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 18 ALA 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 19 THR 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 20 VAL 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 21 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 22 VAL 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 23 GLN 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 24 THR 0.101 0.044 20 0 "[ . 1 . 2 .]"
1 25 ALA 0.004 0.004 20 0 "[ . 1 . 2 .]"
1 26 SER 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 27 LYS 0.101 0.044 20 0 "[ . 1 . 2 .]"
1 28 TYR 0.004 0.004 20 0 "[ . 1 . 2 .]"
1 29 ASP 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 30 ALA 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 31 ASP 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 32 VAL 0.151 0.036 12 0 "[ . 1 . 2 .]"
1 33 ASN 0.055 0.021 17 0 "[ . 1 . 2 .]"
1 34 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 35 GLU 0.023 0.014 4 0 "[ . 1 . 2 .]"
1 36 TYR 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 38 GLY 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 39 LYS 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 40 THR 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 41 VAL 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 42 ASN 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 43 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 44 LYS 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 45 SER 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 46 ILE 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 47 MET 0.008 0.008 12 0 "[ . 1 . 2 .]"
1 48 GLY 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 49 VAL 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 50 VAL 0.008 0.008 12 0 "[ . 1 . 2 .]"
1 51 SER 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 52 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 54 ILE 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 55 ALA 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 56 LYS 0.173 0.051 24 0 "[ . 1 . 2 .]"
1 57 GLY 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 58 ALA 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 60 ILE 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 61 THR 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 62 ILE 0.023 0.014 4 0 "[ . 1 . 2 .]"
1 63 SER 0.151 0.036 12 0 "[ . 1 . 2 .]"
1 64 ALA 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 65 SER 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 66 GLY 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 67 ALA 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 69 GLU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 70 ASN 0.077 0.024 2 0 "[ . 1 . 2 .]"
1 71 ASP 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 72 ALA 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 73 LEU 1.848 0.097 12 0 "[ . 1 . 2 .]"
1 74 ASN 1.848 0.097 12 0 "[ . 1 . 2 .]"
1 75 ALA 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 76 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 77 GLU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 78 GLU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 79 THR 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 80 MET 0.025 0.025 7 0 "[ . 1 . 2 .]"
1 81 LYS 0.033 0.025 7 0 "[ . 1 . 2 .]"
1 82 SER 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 83 GLU 0.003 0.003 25 0 "[ . 1 . 2 .]"
1 84 GLY 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 85 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 86 GLY 0.008 0.008 25 0 "[ . 1 . 2 .]"
1 87 GLU 0.365 0.046 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 5 PHE HB2 1 6 LYS H 1.800 . 4.500 3.831 3.381 4.119 . 0 0 "[ . 1 . 2 .]" 4
2 1 6 LYS HB3 1 7 VAL H 1.800 . 3.850 3.699 3.297 3.909 0.059 15 0 "[ . 1 . 2 .]" 4
3 1 6 LYS HB2 1 7 VAL H 1.800 . 4.500 4.448 4.301 4.531 0.031 19 0 "[ . 1 . 2 .]" 4
4 1 7 VAL HA 1 8 THR H 1.800 . 3.850 2.193 2.179 2.244 . 0 0 "[ . 1 . 2 .]" 4
5 1 8 THR H 1 8 THR HB 1.800 . 3.850 2.898 2.669 3.079 . 0 0 "[ . 1 . 2 .]" 4
6 1 9 ALA HA 1 10 ASP H 1.800 . 3.850 2.291 2.223 2.444 . 0 0 "[ . 1 . 2 .]" 4
7 1 11 SER HA 1 12 GLY H 1.800 . 4.500 3.479 3.053 3.533 . 0 0 "[ . 1 . 2 .]" 4
8 1 9 ALA HA 1 12 GLY H 1.800 . 4.500 4.343 4.197 4.510 0.010 23 0 "[ . 1 . 2 .]" 4
9 1 13 ILE H 1 54 ILE MD 1.800 . 5.500 3.749 3.283 4.264 . 0 0 "[ . 1 . 2 .]" 4
10 1 17 PRO HB3 1 18 ALA H 1.800 . 5.500 4.340 4.269 4.438 . 0 0 "[ . 1 . 2 .]" 4
11 1 18 ALA HA 1 19 THR H 1.800 . 3.850 3.489 3.466 3.512 . 0 0 "[ . 1 . 2 .]" 4
12 1 19 THR H 1 19 THR MG 1.800 . 4.500 3.746 3.727 3.773 . 0 0 "[ . 1 . 2 .]" 4
13 1 20 VAL H 1 20 VAL MG2 1.800 . 4.500 2.073 1.953 2.177 . 0 0 "[ . 1 . 2 .]" 4
14 1 20 VAL HB 1 21 LEU H 1.800 . 4.500 2.512 2.273 2.650 . 0 0 "[ . 1 . 2 .]" 4
15 1 20 VAL MG2 1 21 LEU H 1.800 . 4.500 3.626 3.488 3.693 . 0 0 "[ . 1 . 2 .]" 4
16 1 21 LEU H 1 76 LEU MD2 1.800 . 5.500 4.587 4.539 4.606 . 0 0 "[ . 1 . 2 .]" 4
17 1 22 VAL H 1 22 VAL MG2 1.800 . 5.500 3.778 3.770 3.786 . 0 0 "[ . 1 . 2 .]" 4
18 1 22 VAL H 1 22 VAL HB 1.800 . 3.850 2.525 2.466 2.581 . 0 0 "[ . 1 . 2 .]" 4
19 1 20 VAL HA 1 23 GLN H 1.800 . 4.500 3.835 3.700 3.956 . 0 0 "[ . 1 . 2 .]" 4
20 1 23 GLN H 1 23 GLN HB2 1.800 . 3.850 2.315 2.226 2.445 . 0 0 "[ . 1 . 2 .]" 4
21 1 22 VAL HB 1 23 GLN H 1.800 . 4.500 4.060 4.019 4.097 . 0 0 "[ . 1 . 2 .]" 4
22 1 22 VAL MG1 1 23 GLN H 1.800 . 4.500 2.244 2.184 2.285 . 0 0 "[ . 1 . 2 .]" 4
23 1 22 VAL MG2 1 23 GLN H 1.800 . 4.500 3.757 3.749 3.766 . 0 0 "[ . 1 . 2 .]" 4
24 1 25 ALA H 1 76 LEU MD2 1.800 . 4.500 2.071 1.926 2.455 . 0 0 "[ . 1 . 2 .]" 4
25 1 23 GLN HA 1 26 SER H 1.800 . 4.500 3.739 3.571 3.918 . 0 0 "[ . 1 . 2 .]" 4
26 1 24 THR HA 1 27 LYS H 1.800 . 3.850 3.798 3.671 3.894 0.044 20 0 "[ . 1 . 2 .]" 4
27 1 27 LYS H 1 27 LYS QB 1.800 . 3.850 2.360 2.173 2.676 . 0 0 "[ . 1 . 2 .]" 4
28 1 27 LYS H 1 27 LYS QG 1.800 . 4.500 2.684 1.947 3.507 . 0 0 "[ . 1 . 2 .]" 4
29 1 27 LYS H 1 27 LYS HD3 1.800 . 4.500 3.395 2.199 4.459 . 0 0 "[ . 1 . 2 .]" 4
30 1 26 SER QB 1 27 LYS H 1.800 . 4.500 2.695 2.523 3.449 . 0 0 "[ . 1 . 2 .]" 4
31 1 25 ALA HA 1 28 TYR H 1.800 . 3.850 3.197 3.054 3.854 0.004 20 0 "[ . 1 . 2 .]" 4
32 1 27 LYS HA 1 28 TYR H 1.800 . 3.850 3.487 3.070 3.522 . 0 0 "[ . 1 . 2 .]" 4
33 1 28 TYR H 1 28 TYR HD2 1.800 . 3.850 2.578 2.303 3.421 . 0 0 "[ . 1 . 2 .]" 4
34 1 28 TYR HB2 1 29 ASP H 1.800 . 4.500 4.242 4.104 4.380 . 0 0 "[ . 1 . 2 .]" 4
35 1 28 TYR HB2 1 30 ALA H 1.800 . 4.500 3.819 3.405 4.094 . 0 0 "[ . 1 . 2 .]" 4
36 1 31 ASP H 1 66 GLY HA3 1.800 . 3.850 3.056 2.733 3.375 . 0 0 "[ . 1 . 2 .]" 4
37 1 31 ASP H 1 31 ASP HB3 1.800 . 3.850 3.634 3.521 3.720 . 0 0 "[ . 1 . 2 .]" 4
38 1 31 ASP HB3 1 32 VAL H 1.800 . 5.500 4.082 3.927 4.248 . 0 0 "[ . 1 . 2 .]" 4
39 1 33 ASN H 1 33 ASN HB2 1.800 . 2.850 2.622 2.400 2.782 . 0 0 "[ . 1 . 2 .]" 4
40 1 33 ASN H 1 33 ASN HB3 1.800 . 3.850 3.774 3.650 3.871 0.021 17 0 "[ . 1 . 2 .]" 4
41 1 34 LEU H 1 34 LEU HB3 1.800 . 3.850 2.637 2.373 2.867 . 0 0 "[ . 1 . 2 .]" 4
42 1 34 LEU H 1 34 LEU HG 1.800 . 4.500 4.433 4.301 4.498 . 0 0 "[ . 1 . 2 .]" 4
43 1 34 LEU H 1 43 LEU H 1.800 . 4.500 3.361 2.836 3.732 . 0 0 "[ . 1 . 2 .]" 4
44 1 34 LEU HA 1 35 GLU H 1.800 . 3.850 2.299 2.199 2.410 . 0 0 "[ . 1 . 2 .]" 4
45 1 35 GLU H 1 62 ILE HA 1.800 . 3.850 3.492 3.162 3.864 0.014 4 0 "[ . 1 . 2 .]" 4
46 1 36 TYR H 1 39 LYS HA 1.800 . 5.500 4.721 4.363 5.018 . 0 0 "[ . 1 . 2 .]" 4
47 1 35 GLU QB 1 36 TYR H 1.800 . 4.500 3.649 3.319 3.960 . 0 0 "[ . 1 . 2 .]" 4
48 1 36 TYR H 1 41 VAL MG2 1.800 . 5.500 4.322 3.525 4.596 . 0 0 "[ . 1 . 2 .]" 4
49 1 38 GLY HA3 1 39 LYS H 1.800 . 4.500 3.261 2.832 3.508 . 0 0 "[ . 1 . 2 .]" 4
50 1 39 LYS HA 1 40 THR H 1.800 . 3.650 2.308 2.178 2.607 . 0 0 "[ . 1 . 2 .]" 4
51 1 40 THR H 1 40 THR HB 1.800 . 3.850 2.732 2.581 3.031 . 0 0 "[ . 1 . 2 .]" 4
52 1 41 VAL H 1 41 VAL MG1 1.800 . 3.850 3.172 2.824 3.239 . 0 0 "[ . 1 . 2 .]" 4
53 1 41 VAL HA 1 42 ASN H 1.800 . 3.650 2.274 2.253 2.296 . 0 0 "[ . 1 . 2 .]" 4
54 1 41 VAL MG1 1 42 ASN H 1.800 . 5.500 3.499 3.384 3.712 . 0 0 "[ . 1 . 2 .]" 4
55 1 41 VAL MG2 1 42 ASN H 1.800 . 5.500 4.043 3.898 4.108 . 0 0 "[ . 1 . 2 .]" 4
56 1 44 LYS HA 1 45 SER H 1.800 . 3.850 2.676 2.573 2.762 . 0 0 "[ . 1 . 2 .]" 4
57 1 45 SER H 1 45 SER HB3 1.800 . 3.850 3.048 2.839 3.170 . 0 0 "[ . 1 . 2 .]" 4
58 1 43 LEU MD1 1 45 SER H 1.800 . 5.500 4.273 3.890 4.742 . 0 0 "[ . 1 . 2 .]" 4
59 1 43 LEU MD2 1 45 SER H 1.800 . 6.000 4.867 4.409 5.228 . 0 0 "[ . 1 . 2 .]" 4
60 1 47 MET H 1 47 MET QB 1.800 . 3.850 2.262 2.198 2.312 . 0 0 "[ . 1 . 2 .]" 4
61 1 45 SER HA 1 48 GLY H 1.800 . 4.500 3.710 3.590 3.951 . 0 0 "[ . 1 . 2 .]" 4
62 1 48 GLY QA 1 49 VAL H 1.800 . 4.500 2.790 2.688 2.871 . 0 0 "[ . 1 . 2 .]" 4
63 1 49 VAL HB 1 50 VAL H 1.800 . 3.850 2.773 2.520 2.954 . 0 0 "[ . 1 . 2 .]" 4
64 1 51 SER HA 1 52 LEU H 1.800 . 3.850 3.523 3.498 3.557 . 0 0 "[ . 1 . 2 .]" 4
65 1 52 LEU H 1 52 LEU QB 1.800 . 3.850 2.363 2.180 2.523 . 0 0 "[ . 1 . 2 .]" 4
66 1 52 LEU H 1 52 LEU HB2 1.800 . 3.850 2.398 2.201 2.574 . 0 0 "[ . 1 . 2 .]" 4
67 1 56 LYS H 1 56 LYS HB3 1.800 . 3.850 2.835 2.381 3.617 . 0 0 "[ . 1 . 2 .]" 4
68 1 56 LYS H 1 56 LYS HB2 1.800 . 3.850 3.208 2.166 3.644 . 0 0 "[ . 1 . 2 .]" 4
69 1 55 ALA MB 1 56 LYS H 1.800 . 3.850 2.166 1.983 2.477 . 0 0 "[ . 1 . 2 .]" 4
70 1 56 LYS QG 1 57 GLY H 1.800 . 4.500 3.609 1.994 4.062 . 0 0 "[ . 1 . 2 .]" 4
71 1 61 THR HA 1 62 ILE H 1.800 . 3.650 2.206 2.174 2.416 . 0 0 "[ . 1 . 2 .]" 4
72 1 4 THR HA 1 62 ILE H 1.800 . 3.850 2.893 2.564 3.210 . 0 0 "[ . 1 . 2 .]" 4
73 1 62 ILE H 1 62 ILE HG13 1.800 . 3.850 2.575 2.355 3.311 . 0 0 "[ . 1 . 2 .]" 4
74 1 62 ILE HA 1 63 SER H 1.800 . 3.650 2.339 2.267 2.424 . 0 0 "[ . 1 . 2 .]" 4
75 1 32 VAL HA 1 63 SER H 1.800 . 3.850 3.703 3.370 3.886 0.036 12 0 "[ . 1 . 2 .]" 4
76 1 2 GLN HA 1 64 ALA H 1.800 . 3.850 2.465 2.091 2.813 . 0 0 "[ . 1 . 2 .]" 4
77 1 64 ALA H 1 73 LEU MD2 1.800 . 5.500 3.786 3.139 4.262 . 0 0 "[ . 1 . 2 .]" 4
78 1 65 SER H 1 65 SER HB2 1.800 . 3.850 2.842 2.604 3.251 . 0 0 "[ . 1 . 2 .]" 4
79 1 70 ASN H 1 70 ASN QB 1.800 . 3.850 2.291 2.171 2.504 . 0 0 "[ . 1 . 2 .]" 4
80 1 1 ALA MB 1 70 ASN H 1.800 . 4.350 3.555 3.285 3.652 . 0 0 "[ . 1 . 2 .]" 4
81 1 71 ASP HB2 1 72 ALA H 1.800 . 3.850 3.027 2.764 3.169 . 0 0 "[ . 1 . 2 .]" 4
82 1 71 ASP HB3 1 72 ALA H 1.800 . 4.500 4.023 3.884 4.128 . 0 0 "[ . 1 . 2 .]" 4
83 1 73 LEU H 1 73 LEU HB3 1.800 . 3.850 2.556 2.507 2.620 . 0 0 "[ . 1 . 2 .]" 4
84 1 73 LEU H 1 73 LEU HB2 1.800 . 3.850 3.642 3.632 3.654 . 0 0 "[ . 1 . 2 .]" 4
85 1 73 LEU HB3 1 74 ASN H 1.800 . 3.850 3.924 3.907 3.947 0.097 12 0 "[ . 1 . 2 .]" 4
86 1 73 LEU HB2 1 74 ASN H 1.800 . 4.500 3.753 3.590 3.832 . 0 0 "[ . 1 . 2 .]" 4
87 1 76 LEU H 1 76 LEU MD2 1.800 . 4.500 3.790 3.765 3.812 . 0 0 "[ . 1 . 2 .]" 4
88 1 72 ALA MB 1 76 LEU H 1.800 . 5.500 4.619 4.587 4.663 . 0 0 "[ . 1 . 2 .]" 4
89 1 73 LEU HA 1 76 LEU H 1.800 . 4.500 3.921 3.633 4.046 . 0 0 "[ . 1 . 2 .]" 4
90 1 74 ASN HA 1 77 GLU H 1.800 . 4.500 3.295 3.200 3.450 . 0 0 "[ . 1 . 2 .]" 4
91 1 77 GLU H 1 77 GLU QB 1.800 . 3.850 2.268 2.248 2.277 . 0 0 "[ . 1 . 2 .]" 4
92 1 77 GLU H 1 77 GLU QG 1.800 . 4.500 4.009 3.987 4.025 . 0 0 "[ . 1 . 2 .]" 4
93 1 76 LEU HB2 1 77 GLU H 1.800 . 3.850 2.882 2.714 3.027 . 0 0 "[ . 1 . 2 .]" 4
94 1 73 LEU MD1 1 77 GLU H 1.800 . 5.500 4.629 4.606 4.661 . 0 0 "[ . 1 . 2 .]" 4
95 1 76 LEU MD1 1 77 GLU H 1.800 . 4.500 3.768 3.753 3.790 . 0 0 "[ . 1 . 2 .]" 4
96 1 75 ALA HA 1 78 GLU H 1.800 . 5.500 3.961 3.698 4.213 . 0 0 "[ . 1 . 2 .]" 4
97 1 77 GLU QB 1 78 GLU H 1.800 . 3.850 2.298 2.127 2.688 . 0 0 "[ . 1 . 2 .]" 4
98 1 78 GLU H 1 78 GLU HG3 1.800 . 4.500 2.995 2.015 3.993 . 0 0 "[ . 1 . 2 .]" 4
99 1 78 GLU H 1 78 GLU HG2 1.800 . 4.500 2.212 1.984 3.062 . 0 0 "[ . 1 . 2 .]" 4
100 1 79 THR H 1 80 MET H 1.800 . 3.850 2.536 2.487 2.603 . 0 0 "[ . 1 . 2 .]" 4
101 1 79 THR H 1 79 THR HB 1.800 . 3.850 2.622 2.542 2.843 . 0 0 "[ . 1 . 2 .]" 4
102 1 76 LEU HA 1 79 THR H 1.800 . 4.500 3.367 3.240 3.524 . 0 0 "[ . 1 . 2 .]" 4
103 1 80 MET H 1 80 MET QG 1.800 . 3.850 2.703 2.181 3.113 . 0 0 "[ . 1 . 2 .]" 4
104 1 81 LYS H 1 81 LYS HB2 1.800 . 3.650 2.319 2.188 2.517 . 0 0 "[ . 1 . 2 .]" 4
105 1 80 MET QB 1 81 LYS H 1.800 . 3.850 2.812 2.659 2.898 . 0 0 "[ . 1 . 2 .]" 4
106 1 81 LYS H 1 81 LYS QD 1.800 . 4.500 3.546 2.630 4.019 . 0 0 "[ . 1 . 2 .]" 4
107 1 81 LYS H 1 81 LYS HG3 1.800 . 3.850 3.136 2.380 3.746 . 0 0 "[ . 1 . 2 .]" 4
108 1 81 LYS H 1 81 LYS HG2 1.800 . 4.500 3.577 2.176 4.373 . 0 0 "[ . 1 . 2 .]" 4
109 1 80 MET HB3 1 81 LYS H 1.800 . 3.850 3.641 3.404 3.875 0.025 7 0 "[ . 1 . 2 .]" 4
110 1 82 SER H 1 82 SER HB3 1.800 . 3.850 2.734 2.404 3.039 . 0 0 "[ . 1 . 2 .]" 4
111 1 82 SER HB3 1 83 GLU H 1.800 . 4.500 3.752 3.661 4.180 . 0 0 "[ . 1 . 2 .]" 4
112 1 82 SER HB2 1 83 GLU H 1.800 . 3.850 3.264 2.667 3.818 . 0 0 "[ . 1 . 2 .]" 4
113 1 83 GLU H 1 83 GLU HG2 1.800 . 4.500 3.278 2.050 4.463 . 0 0 "[ . 1 . 2 .]" 4
114 1 83 GLU H 1 83 GLU HG3 1.800 . 3.850 3.178 2.403 3.853 0.003 25 0 "[ . 1 . 2 .]" 4
115 1 84 GLY HA3 1 85 LEU H 1.800 . 4.500 3.549 3.459 3.581 . 0 0 "[ . 1 . 2 .]" 4
116 1 80 MET HB3 1 86 GLY H 1.800 . 4.500 2.521 2.072 3.054 . 0 0 "[ . 1 . 2 .]" 4
117 1 85 LEU HG 1 86 GLY H 1.800 . 4.500 4.336 4.155 4.480 . 0 0 "[ . 1 . 2 .]" 4
118 1 85 LEU HA 1 86 GLY H 1.800 . 4.500 3.562 3.509 3.589 . 0 0 "[ . 1 . 2 .]" 4
119 1 81 LYS HA 1 86 GLY H 1.800 . 5.500 4.882 4.204 5.508 0.008 25 0 "[ . 1 . 2 .]" 4
120 1 80 MET QG 1 86 GLY H 1.800 . 4.500 3.958 3.517 4.020 . 0 0 "[ . 1 . 2 .]" 4
121 1 85 LEU HB3 1 86 GLY H 1.800 . 4.500 3.437 2.986 3.805 . 0 0 "[ . 1 . 2 .]" 4
122 1 87 GLU H 1 87 GLU HB3 1.800 . 3.850 3.357 3.124 3.464 . 0 0 "[ . 1 . 2 .]" 4
123 1 87 GLU H 1 87 GLU HB2 1.800 . 3.850 3.853 3.750 3.896 0.046 15 0 "[ . 1 . 2 .]" 4
124 1 87 GLU H 1 87 GLU HG3 1.800 . 3.850 3.140 2.142 3.853 0.003 13 0 "[ . 1 . 2 .]" 4
125 1 2 GLN HA 1 63 SER HB3 1.800 . 5.500 4.048 3.878 4.318 . 0 0 "[ . 1 . 2 .]" 4
126 1 2 GLN HA 1 2 GLN QG 1.800 . 4.500 3.309 3.299 3.380 . 0 0 "[ . 1 . 2 .]" 4
127 1 2 GLN HB2 1 63 SER HA 1.800 . 4.500 2.503 2.323 2.824 . 0 0 "[ . 1 . 2 .]" 4
128 1 2 GLN QG 1 63 SER HA 1.800 . 4.500 3.995 3.907 4.032 . 0 0 "[ . 1 . 2 .]" 4
129 1 3 LYS HB2 1 3 LYS QE 1.800 . 4.500 3.558 2.209 4.030 . 0 0 "[ . 1 . 2 .]" 4
130 1 3 LYS HB2 1 73 LEU MD1 1.800 . 4.500 3.024 2.491 3.699 . 0 0 "[ . 1 . 2 .]" 4
131 1 4 THR HA 1 61 THR MG 1.800 . 3.850 3.034 2.615 3.209 . 0 0 "[ . 1 . 2 .]" 4
132 1 4 THR MG 1 61 THR HA 1.800 . 4.500 2.781 2.357 3.211 . 0 0 "[ . 1 . 2 .]" 4
133 1 5 PHE HB2 1 60 ILE HG12 1.800 . 4.500 3.077 2.829 3.414 . 0 0 "[ . 1 . 2 .]" 4
134 1 6 LYS HA 1 6 LYS QG 1.800 . 4.500 2.342 2.013 2.780 . 0 0 "[ . 1 . 2 .]" 4
135 1 10 ASP HA 1 56 LYS HB3 1.800 . 4.500 3.131 1.990 4.551 0.051 24 0 "[ . 1 . 2 .]" 4
136 1 10 ASP HA 1 56 LYS HB2 1.800 . 4.500 3.633 2.317 4.548 0.048 14 0 "[ . 1 . 2 .]" 4
137 1 13 ILE HA 1 17 PRO HG3 1.800 . 4.500 2.383 2.124 2.876 . 0 0 "[ . 1 . 2 .]" 4
138 1 13 ILE MD 1 54 ILE HB 1.800 . 4.500 3.555 3.114 3.790 . 0 0 "[ . 1 . 2 .]" 4
139 1 16 ARG HA 1 17 PRO HD3 1.800 . 4.500 4.001 3.948 4.055 . 0 0 "[ . 1 . 2 .]" 4
140 1 17 PRO HB2 1 21 LEU QD 1.800 . 5.500 3.102 2.747 3.539 . 0 0 "[ . 1 . 2 .]" 4
141 1 16 ARG HB3 1 17 PRO HD3 1.800 . 3.850 2.078 1.828 2.571 . 0 0 "[ . 1 . 2 .]" 4
142 1 16 ARG HB3 1 17 PRO HD2 1.800 . 4.500 3.269 2.972 3.582 . 0 0 "[ . 1 . 2 .]" 4
143 1 16 ARG HB2 1 17 PRO HD3 1.800 . 3.850 2.490 1.883 3.379 . 0 0 "[ . 1 . 2 .]" 4
144 1 16 ARG HB2 1 17 PRO HD2 1.800 . 4.500 3.106 2.457 3.934 . 0 0 "[ . 1 . 2 .]" 4
145 1 18 ALA MB 1 46 ILE HA 1.800 . 4.500 1.951 1.875 2.067 . 0 0 "[ . 1 . 2 .]" 4
146 1 20 VAL HA 1 20 VAL MG1 1.800 . 4.500 2.303 2.164 2.373 . 0 0 "[ . 1 . 2 .]" 4
147 1 17 PRO HA 1 20 VAL MG2 1.800 . 4.500 2.323 1.986 2.649 . 0 0 "[ . 1 . 2 .]" 4
148 1 21 LEU HB3 1 43 LEU MD2 1.800 . 4.500 2.121 1.904 2.407 . 0 0 "[ . 1 . 2 .]" 4
149 1 21 LEU QD 1 80 MET QG 1.800 . 4.500 2.694 2.296 2.981 . 0 0 "[ . 1 . 2 .]" 4
150 1 25 ALA MB 1 76 LEU MD1 1.800 . 3.850 2.470 2.213 2.675 . 0 0 "[ . 1 . 2 .]" 4
151 1 25 ALA MB 1 76 LEU MD2 1.800 . 4.500 2.140 1.875 2.418 . 0 0 "[ . 1 . 2 .]" 4
152 1 29 ASP QB 1 67 ALA MB 1.800 . 4.500 3.255 2.905 3.345 . 0 0 "[ . 1 . 2 .]" 4
153 1 32 VAL HA 1 32 VAL QG 1.800 . 4.500 2.282 2.245 2.327 . 0 0 "[ . 1 . 2 .]" 4
154 1 34 LEU HA 1 62 ILE MG 1.800 . 4.500 3.353 3.161 3.707 . 0 0 "[ . 1 . 2 .]" 4
155 1 34 LEU HA 1 62 ILE HG12 1.800 . 4.500 2.596 2.495 4.209 . 0 0 "[ . 1 . 2 .]" 4
156 1 41 VAL HA 1 41 VAL MG2 1.800 . 4.500 3.184 3.175 3.199 . 0 0 "[ . 1 . 2 .]" 4
157 1 41 VAL MG1 1 49 VAL HA 1.800 . 5.500 3.815 3.137 4.572 . 0 0 "[ . 1 . 2 .]" 4
158 1 21 LEU QD 1 43 LEU QD 1.800 . 3.850 2.145 2.134 2.153 . 0 0 "[ . 1 . 2 .]" 4
159 1 41 VAL MG1 1 45 SER HB3 1.800 . 4.500 3.810 3.790 3.840 . 0 0 "[ . 1 . 2 .]" 4
160 1 41 VAL MG2 1 45 SER HB3 1.800 . 5.500 4.141 3.800 4.429 . 0 0 "[ . 1 . 2 .]" 4
161 1 46 ILE HA 1 46 ILE MD 1.800 . 4.500 3.642 1.942 3.803 . 0 0 "[ . 1 . 2 .]" 4
162 1 46 ILE HG13 1 46 ILE MG 1.800 . 3.850 3.146 2.433 3.213 . 0 0 "[ . 1 . 2 .]" 4
163 1 49 VAL HA 1 49 VAL MG1 1.800 . 3.850 2.291 2.189 2.402 . 0 0 "[ . 1 . 2 .]" 4
164 1 49 VAL HA 1 49 VAL MG2 1.800 . 3.850 2.431 2.315 2.469 . 0 0 "[ . 1 . 2 .]" 4
165 1 46 ILE HA 1 49 VAL HB 1.800 . 4.500 3.400 3.183 3.768 . 0 0 "[ . 1 . 2 .]" 4
166 1 18 ALA MB 1 49 VAL HB 1.800 . 4.500 2.509 2.273 2.803 . 0 0 "[ . 1 . 2 .]" 4
167 1 45 SER HB3 1 49 VAL MG2 1.800 . 4.500 2.999 2.348 3.557 . 0 0 "[ . 1 . 2 .]" 4
168 1 49 VAL MG1 1 54 ILE MD 1.800 . 3.850 2.340 2.013 2.677 . 0 0 "[ . 1 . 2 .]" 4
169 1 47 MET HA 1 50 VAL HB 1.800 . 3.850 3.098 2.456 3.858 0.008 12 0 "[ . 1 . 2 .]" 4
170 1 50 VAL HA 1 50 VAL QG 1.800 . 3.850 2.078 2.018 2.341 . 0 0 "[ . 1 . 2 .]" 4
171 1 54 ILE HA 1 55 ALA MB 1.800 . 4.500 3.776 3.757 3.804 . 0 0 "[ . 1 . 2 .]" 4
172 1 7 VAL MG2 1 54 ILE MG 1.800 . 4.500 2.319 1.970 3.029 . 0 0 "[ . 1 . 2 .]" 4
173 1 54 ILE MG 1 60 ILE MG 1.800 . 4.500 2.985 2.660 3.136 . 0 0 "[ . 1 . 2 .]" 4
174 1 52 LEU HB2 1 54 ILE MD 1.800 . 4.500 3.392 2.610 3.756 . 0 0 "[ . 1 . 2 .]" 4
175 1 52 LEU HB3 1 54 ILE MD 1.800 . 5.500 3.755 2.971 4.267 . 0 0 "[ . 1 . 2 .]" 4
176 1 13 ILE MG 1 54 ILE MD 1.800 . 3.850 2.523 2.102 2.681 . 0 0 "[ . 1 . 2 .]" 4
177 1 56 LYS HA 1 56 LYS HG3 1.800 . 4.500 3.406 2.190 4.268 . 0 0 "[ . 1 . 2 .]" 4
178 1 56 LYS HA 1 56 LYS HG2 1.800 . 3.850 3.366 2.044 3.889 0.039 2 0 "[ . 1 . 2 .]" 4
179 1 7 VAL MG2 1 58 ALA MB 1.800 . 4.350 2.551 2.014 3.027 . 0 0 "[ . 1 . 2 .]" 4
180 1 60 ILE HB 1 60 ILE MD 1.800 . 3.850 2.283 2.212 2.398 . 0 0 "[ . 1 . 2 .]" 4
181 1 7 VAL MG1 1 60 ILE MD 1.800 . 5.500 3.818 3.758 3.834 . 0 0 "[ . 1 . 2 .]" 4
182 1 7 VAL MG2 1 60 ILE MD 1.800 . 4.500 2.080 1.903 2.263 . 0 0 "[ . 1 . 2 .]" 4
183 1 35 GLU HB3 1 61 THR HB 1.800 . 4.500 2.291 1.995 3.072 . 0 0 "[ . 1 . 2 .]" 4
184 1 64 ALA MB 1 69 GLU HB2 1.800 . 4.300 1.996 1.882 2.224 . 0 0 "[ . 1 . 2 .]" 4
185 1 29 ASP HB2 1 67 ALA MB 1.800 . 4.500 3.371 2.975 3.628 . 0 0 "[ . 1 . 2 .]" 4
186 1 1 ALA HA 1 70 ASN HA 1.800 . 4.500 4.289 3.759 4.524 0.024 2 0 "[ . 1 . 2 .]" 4
187 1 30 ALA MB 1 72 ALA MB 1.800 . 4.500 2.630 2.445 2.833 . 0 0 "[ . 1 . 2 .]" 4
188 1 73 LEU HA 1 73 LEU MD2 1.800 . 5.500 4.067 4.007 4.088 . 0 0 "[ . 1 . 2 .]" 4
189 1 24 THR MG 1 76 LEU HG 1.800 . 3.850 2.222 1.971 2.590 . 0 0 "[ . 1 . 2 .]" 4
190 1 76 LEU HA 1 76 LEU MD1 1.800 . 4.500 3.776 3.714 3.812 . 0 0 "[ . 1 . 2 .]" 4
191 1 73 LEU HA 1 76 LEU MD1 1.800 . 4.500 2.537 2.007 2.940 . 0 0 "[ . 1 . 2 .]" 4
192 1 76 LEU HA 1 76 LEU MD2 1.800 . 3.850 2.956 2.818 3.115 . 0 0 "[ . 1 . 2 .]" 4
193 1 76 LEU HB3 1 76 LEU MD2 1.800 . 3.850 2.117 1.979 2.147 . 0 0 "[ . 1 . 2 .]" 4
194 1 21 LEU QD 1 79 THR MG 1.800 . 6.500 3.218 2.737 3.640 . 0 0 "[ . 1 . 2 .]" 4
195 1 81 LYS HA 1 81 LYS HG3 1.800 . 4.500 2.861 2.049 3.766 . 0 0 "[ . 1 . 2 .]" 4
196 1 83 GLU HB2 1 85 LEU HG 1.800 . 3.850 2.633 2.155 3.331 . 0 0 "[ . 1 . 2 .]" 4
197 1 85 LEU HA 1 85 LEU MD1 1.800 . 4.500 3.790 3.764 3.811 . 0 0 "[ . 1 . 2 .]" 4
stop_
save_
save_distance_constraint_statistics_5
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 5
_Distance_constraint_stats_list.Constraint_count 72
_Distance_constraint_stats_list.Viol_count 219
_Distance_constraint_stats_list.Viol_total 140.528
_Distance_constraint_stats_list.Viol_max 0.092
_Distance_constraint_stats_list.Viol_rms 0.0114
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0031
_Distance_constraint_stats_list.Viol_average_violations_only 0.0257
_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 3 LYS 0.032 0.020 8 0 "[ . 1 . 2 .]"
1 5 PHE 0.017 0.017 16 0 "[ . 1 . 2 .]"
1 6 LYS 0.098 0.018 14 0 "[ . 1 . 2 .]"
1 7 VAL 0.219 0.032 15 0 "[ . 1 . 2 .]"
1 15 ALA 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 16 ARG 1.737 0.090 2 0 "[ . 1 . 2 .]"
1 17 PRO 0.002 0.002 3 0 "[ . 1 . 2 .]"
1 18 ALA 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 19 THR 0.301 0.030 16 0 "[ . 1 . 2 .]"
1 20 VAL 2.199 0.090 2 0 "[ . 1 . 2 .]"
1 21 LEU 0.002 0.002 3 0 "[ . 1 . 2 .]"
1 22 VAL 0.041 0.014 13 0 "[ . 1 . 2 .]"
1 23 GLN 0.301 0.030 16 0 "[ . 1 . 2 .]"
1 24 THR 0.462 0.037 11 0 "[ . 1 . 2 .]"
1 25 ALA 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 26 SER 0.041 0.014 13 0 "[ . 1 . 2 .]"
1 31 ASP 0.117 0.019 15 0 "[ . 1 . 2 .]"
1 32 VAL 0.011 0.011 11 0 "[ . 1 . 2 .]"
1 33 ASN 0.143 0.064 2 0 "[ . 1 . 2 .]"
1 34 LEU 0.060 0.018 2 0 "[ . 1 . 2 .]"
1 35 GLU 0.039 0.024 2 0 "[ . 1 . 2 .]"
1 36 TYR 0.233 0.052 8 0 "[ . 1 . 2 .]"
1 39 LYS 0.233 0.052 8 0 "[ . 1 . 2 .]"
1 41 VAL 0.060 0.018 2 0 "[ . 1 . 2 .]"
1 43 LEU 0.011 0.011 11 0 "[ . 1 . 2 .]"
1 58 ALA 0.219 0.032 15 0 "[ . 1 . 2 .]"
1 60 ILE 0.017 0.017 16 0 "[ . 1 . 2 .]"
1 61 THR 0.039 0.024 2 0 "[ . 1 . 2 .]"
1 62 ILE 0.032 0.020 8 0 "[ . 1 . 2 .]"
1 63 SER 0.143 0.064 2 0 "[ . 1 . 2 .]"
1 65 SER 0.117 0.019 15 0 "[ . 1 . 2 .]"
1 68 ASP 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 69 GLU 0.008 0.008 11 0 "[ . 1 . 2 .]"
1 70 ASN 0.817 0.066 3 0 "[ . 1 . 2 .]"
1 71 ASP 0.986 0.092 22 0 "[ . 1 . 2 .]"
1 72 ALA 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 73 LEU 0.008 0.008 11 0 "[ . 1 . 2 .]"
1 74 ASN 0.817 0.066 3 0 "[ . 1 . 2 .]"
1 75 ALA 1.271 0.092 22 0 "[ . 1 . 2 .]"
1 76 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 77 GLU 0.014 0.006 21 0 "[ . 1 . 2 .]"
1 78 GLU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 79 THR 0.285 0.043 15 0 "[ . 1 . 2 .]"
1 80 MET 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 81 LYS 0.014 0.006 21 0 "[ . 1 . 2 .]"
1 87 GLU 0.098 0.018 14 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 3 LYS H 1 62 ILE O 2.300 . 2.500 2.303 2.238 2.512 0.012 2 0 "[ . 1 . 2 .]" 5
2 1 3 LYS N 1 62 ILE O 3.300 2.500 3.500 3.103 3.016 3.254 . 0 0 "[ . 1 . 2 .]" 5
3 1 3 LYS O 1 62 ILE H 2.300 . 2.500 2.282 2.220 2.520 0.020 8 0 "[ . 1 . 2 .]" 5
4 1 3 LYS O 1 62 ILE N 3.300 2.500 3.500 3.115 2.910 3.268 . 0 0 "[ . 1 . 2 .]" 5
5 1 5 PHE H 1 60 ILE O 2.300 . 2.500 2.262 2.226 2.487 . 0 0 "[ . 1 . 2 .]" 5
6 1 5 PHE N 1 60 ILE O 3.300 2.500 3.500 3.161 3.020 3.377 . 0 0 "[ . 1 . 2 .]" 5
7 1 5 PHE O 1 60 ILE H 2.300 . 2.500 2.364 2.226 2.517 0.017 16 0 "[ . 1 . 2 .]" 5
8 1 5 PHE O 1 60 ILE N 3.300 2.500 3.500 3.292 3.197 3.475 . 0 0 "[ . 1 . 2 .]" 5
9 1 6 LYS O 1 87 GLU H 2.300 . 2.500 2.462 2.279 2.518 0.018 14 0 "[ . 1 . 2 .]" 5
10 1 6 LYS O 1 87 GLU N 3.300 2.500 3.500 3.089 2.795 3.382 . 0 0 "[ . 1 . 2 .]" 5
11 1 7 VAL H 1 58 ALA O 2.300 . 2.500 2.254 2.203 2.343 . 0 0 "[ . 1 . 2 .]" 5
12 1 7 VAL N 1 58 ALA O 3.300 2.500 3.500 3.145 3.056 3.273 . 0 0 "[ . 1 . 2 .]" 5
13 1 7 VAL O 1 58 ALA H 2.300 . 2.500 2.487 2.329 2.532 0.032 15 0 "[ . 1 . 2 .]" 5
14 1 7 VAL O 1 58 ALA N 3.300 2.500 3.500 3.426 3.269 3.496 . 0 0 "[ . 1 . 2 .]" 5
15 1 15 ALA O 1 19 THR H 2.300 . 2.500 2.217 2.197 2.236 . 0 0 "[ . 1 . 2 .]" 5
16 1 15 ALA O 1 19 THR N 3.300 2.500 3.500 2.954 2.897 3.026 . 0 0 "[ . 1 . 2 .]" 5
17 1 16 ARG O 1 20 VAL H 2.300 . 2.500 2.569 2.546 2.590 0.090 2 0 "[ . 1 . 2 .]" 5
18 1 16 ARG O 1 20 VAL N 3.300 2.500 3.500 3.430 3.391 3.457 . 0 0 "[ . 1 . 2 .]" 5
19 1 17 PRO O 1 21 LEU H 2.300 . 2.500 2.311 2.226 2.502 0.002 3 0 "[ . 1 . 2 .]" 5
20 1 17 PRO O 1 21 LEU N 3.300 2.500 3.500 3.234 3.130 3.417 . 0 0 "[ . 1 . 2 .]" 5
21 1 18 ALA O 1 22 VAL H 2.300 . 2.500 2.240 2.212 2.258 . 0 0 "[ . 1 . 2 .]" 5
22 1 18 ALA O 1 22 VAL N 3.300 2.500 3.500 3.169 3.111 3.209 . 0 0 "[ . 1 . 2 .]" 5
23 1 19 THR O 1 23 GLN H 2.300 . 2.500 2.501 2.363 2.530 0.030 16 0 "[ . 1 . 2 .]" 5
24 1 19 THR O 1 23 GLN N 3.300 2.500 3.500 3.307 3.157 3.357 . 0 0 "[ . 1 . 2 .]" 5
25 1 20 VAL O 1 24 THR H 2.300 . 2.500 2.518 2.500 2.537 0.037 11 0 "[ . 1 . 2 .]" 5
26 1 20 VAL O 1 24 THR N 3.300 2.500 3.500 3.425 3.344 3.489 . 0 0 "[ . 1 . 2 .]" 5
27 1 21 LEU O 1 25 ALA H 2.300 . 2.500 2.208 2.189 2.236 . 0 0 "[ . 1 . 2 .]" 5
28 1 21 LEU O 1 25 ALA N 3.300 2.500 3.500 3.113 3.038 3.166 . 0 0 "[ . 1 . 2 .]" 5
29 1 22 VAL O 1 26 SER H 2.300 . 2.500 2.385 2.232 2.514 0.014 13 0 "[ . 1 . 2 .]" 5
30 1 22 VAL O 1 26 SER N 3.300 2.500 3.500 3.076 2.941 3.228 . 0 0 "[ . 1 . 2 .]" 5
31 1 31 ASP H 1 65 SER O 2.300 . 2.500 2.248 2.224 2.431 . 0 0 "[ . 1 . 2 .]" 5
32 1 31 ASP N 1 65 SER O 3.300 2.500 3.500 3.128 2.922 3.200 . 0 0 "[ . 1 . 2 .]" 5
33 1 31 ASP O 1 65 SER H 2.300 . 2.500 2.456 2.241 2.519 0.019 15 0 "[ . 1 . 2 .]" 5
34 1 31 ASP O 1 65 SER N 3.300 2.500 3.500 3.284 3.027 3.430 . 0 0 "[ . 1 . 2 .]" 5
35 1 32 VAL O 1 43 LEU H 2.300 . 2.500 2.331 2.222 2.511 0.011 11 0 "[ . 1 . 2 .]" 5
36 1 32 VAL O 1 43 LEU N 3.300 2.500 3.500 3.265 3.116 3.476 . 0 0 "[ . 1 . 2 .]" 5
37 1 33 ASN H 1 63 SER O 2.300 . 2.500 2.348 2.240 2.505 0.005 20 0 "[ . 1 . 2 .]" 5
38 1 33 ASN N 1 63 SER O 3.300 2.500 3.500 3.250 3.096 3.384 . 0 0 "[ . 1 . 2 .]" 5
39 1 33 ASN O 1 63 SER H 2.300 . 2.500 2.438 2.239 2.564 0.064 2 0 "[ . 1 . 2 .]" 5
40 1 33 ASN O 1 63 SER N 3.300 2.500 3.500 3.190 2.927 3.351 . 0 0 "[ . 1 . 2 .]" 5
41 1 34 LEU H 1 41 VAL O 2.300 . 2.500 2.250 2.217 2.339 . 0 0 "[ . 1 . 2 .]" 5
42 1 34 LEU N 1 41 VAL O 3.300 2.500 3.500 3.032 2.783 3.161 . 0 0 "[ . 1 . 2 .]" 5
43 1 34 LEU O 1 41 VAL H 2.300 . 2.500 2.399 2.223 2.518 0.018 2 0 "[ . 1 . 2 .]" 5
44 1 34 LEU O 1 41 VAL N 3.300 2.500 3.500 3.118 2.790 3.340 . 0 0 "[ . 1 . 2 .]" 5
45 1 35 GLU H 1 61 THR O 1.800 . 2.300 2.250 2.216 2.307 0.007 15 0 "[ . 1 . 2 .]" 5
46 1 35 GLU N 1 61 THR O 1.800 . 3.300 2.894 2.641 3.173 . 0 0 "[ . 1 . 2 .]" 5
47 1 35 GLU O 1 61 THR H 2.300 . 2.500 2.305 2.230 2.524 0.024 2 0 "[ . 1 . 2 .]" 5
48 1 35 GLU O 1 61 THR N 3.300 2.500 3.500 3.207 3.063 3.425 . 0 0 "[ . 1 . 2 .]" 5
49 1 36 TYR H 1 39 LYS O 2.300 . 2.500 2.274 2.224 2.499 . 0 0 "[ . 1 . 2 .]" 5
50 1 36 TYR N 1 39 LYS O 3.300 2.500 3.500 3.100 2.882 3.366 . 0 0 "[ . 1 . 2 .]" 5
51 1 36 TYR O 1 39 LYS H 2.300 . 2.500 2.350 2.217 2.552 0.052 8 0 "[ . 1 . 2 .]" 5
52 1 36 TYR O 1 39 LYS N 3.300 2.500 3.500 3.202 2.980 3.510 0.010 8 0 "[ . 1 . 2 .]" 5
53 1 68 ASP O 1 72 ALA H 2.300 . 2.500 2.298 2.232 2.476 . 0 0 "[ . 1 . 2 .]" 5
54 1 68 ASP O 1 72 ALA N 3.300 2.500 3.500 3.079 2.964 3.244 . 0 0 "[ . 1 . 2 .]" 5
55 1 69 GLU O 1 73 LEU H 2.300 . 2.500 2.310 2.229 2.508 0.008 11 0 "[ . 1 . 2 .]" 5
56 1 69 GLU O 1 73 LEU N 3.300 2.500 3.500 3.268 3.168 3.461 . 0 0 "[ . 1 . 2 .]" 5
57 1 70 ASN O 1 74 ASN H 2.300 . 2.500 2.521 2.330 2.566 0.066 3 0 "[ . 1 . 2 .]" 5
58 1 70 ASN O 1 74 ASN N 3.300 2.500 3.500 3.480 3.274 3.532 0.032 3 0 "[ . 1 . 2 .]" 5
59 1 71 ASP O 1 75 ALA H 2.300 . 2.500 2.538 2.476 2.592 0.092 22 0 "[ . 1 . 2 .]" 5
60 1 71 ASP O 1 75 ALA N 3.300 2.500 3.500 3.245 3.108 3.342 . 0 0 "[ . 1 . 2 .]" 5
61 1 72 ALA O 1 76 LEU H 2.300 . 2.500 2.255 2.202 2.343 . 0 0 "[ . 1 . 2 .]" 5
62 1 72 ALA O 1 76 LEU N 3.300 2.500 3.500 3.224 3.160 3.319 . 0 0 "[ . 1 . 2 .]" 5
63 1 73 LEU O 1 77 GLU H 2.300 . 2.500 2.312 2.228 2.386 . 0 0 "[ . 1 . 2 .]" 5
64 1 73 LEU O 1 77 GLU N 3.300 2.500 3.500 3.139 3.000 3.256 . 0 0 "[ . 1 . 2 .]" 5
65 1 74 ASN O 1 78 GLU H 2.300 . 2.500 2.227 2.210 2.264 . 0 0 "[ . 1 . 2 .]" 5
66 1 74 ASN O 1 78 GLU N 3.300 2.500 3.500 3.191 3.084 3.231 . 0 0 "[ . 1 . 2 .]" 5
67 1 75 ALA O 1 79 THR H 2.300 . 2.500 2.493 2.332 2.543 0.043 15 0 "[ . 1 . 2 .]" 5
68 1 75 ALA O 1 79 THR N 3.300 2.500 3.500 3.361 3.263 3.452 . 0 0 "[ . 1 . 2 .]" 5
69 1 76 LEU O 1 80 MET H 2.300 . 2.500 2.219 2.199 2.238 . 0 0 "[ . 1 . 2 .]" 5
70 1 76 LEU O 1 80 MET N 3.300 2.500 3.500 3.050 2.991 3.137 . 0 0 "[ . 1 . 2 .]" 5
71 1 77 GLU O 1 81 LYS H 2.300 . 2.500 2.374 2.244 2.506 0.006 21 0 "[ . 1 . 2 .]" 5
72 1 77 GLU O 1 81 LYS N 3.300 2.500 3.500 3.215 3.081 3.351 . 0 0 "[ . 1 . 2 .]" 5
stop_
save_
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