NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
486459 |
3gb1   |
cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_3gb1
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 235
_Distance_constraint_stats_list.Viol_count 316
_Distance_constraint_stats_list.Viol_total 579.311
_Distance_constraint_stats_list.Viol_max 0.273
_Distance_constraint_stats_list.Viol_rms 0.0142
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0024
_Distance_constraint_stats_list.Viol_average_violations_only 0.0573
_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 MET 0.681 0.188 17 0 "[ . 1 . 2 . 3 ]"
1 2 THR 0.681 0.188 17 0 "[ . 1 . 2 . 3 ]"
1 3 TYR 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 4 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 5 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 6 ILE 0.094 0.094 2 0 "[ . 1 . 2 . 3 ]"
1 7 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 8 ASN 1.026 0.147 1 0 "[ . 1 . 2 . 3 ]"
1 9 GLY 0.250 0.038 18 0 "[ . 1 . 2 . 3 ]"
1 10 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 11 THR 0.041 0.034 25 0 "[ . 1 . 2 . 3 ]"
1 12 LEU 0.041 0.034 25 0 "[ . 1 . 2 . 3 ]"
1 13 LYS 0.681 0.147 1 0 "[ . 1 . 2 . 3 ]"
1 14 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 15 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 16 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 17 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 18 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 19 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 20 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 21 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 22 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 23 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 24 ALA 2.976 0.134 3 0 "[ . 1 . 2 . 3 ]"
1 25 THR 1.709 0.273 1 0 "[ . 1 . 2 . 3 ]"
1 26 ALA 1.155 0.126 1 0 "[ . 1 . 2 . 3 ]"
1 27 GLU 3.495 0.176 21 0 "[ . 1 . 2 . 3 ]"
1 28 LYS 2.804 0.273 1 0 "[ . 1 . 2 . 3 ]"
1 29 VAL 1.201 0.126 1 0 "[ . 1 . 2 . 3 ]"
1 30 PHE 0.576 0.059 9 0 "[ . 1 . 2 . 3 ]"
1 31 LYS 2.741 0.143 12 0 "[ . 1 . 2 . 3 ]"
1 32 GLN 0.046 0.027 12 0 "[ . 1 . 2 . 3 ]"
1 33 TYR 2.694 0.077 6 0 "[ . 1 . 2 . 3 ]"
1 34 ALA 4.775 0.143 12 0 "[ . 1 . 2 . 3 ]"
1 35 ASN 0.121 0.031 7 0 "[ . 1 . 2 . 3 ]"
1 36 ASP 0.661 0.070 10 0 "[ . 1 . 2 . 3 ]"
1 37 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 38 GLY 0.121 0.031 7 0 "[ . 1 . 2 . 3 ]"
1 39 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 40 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 41 GLY 0.876 0.131 5 0 "[ . 1 . 2 . 3 ]"
1 42 GLU 2.143 0.166 1 0 "[ . 1 . 2 . 3 ]"
1 43 TRP 3.019 0.166 1 0 "[ . 1 . 2 . 3 ]"
1 44 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 45 TYR 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 46 ASP 0.029 0.017 24 0 "[ . 1 . 2 . 3 ]"
1 47 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 48 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 49 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 50 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 51 THR 0.029 0.017 24 0 "[ . 1 . 2 . 3 ]"
1 52 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 53 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 54 VAL 0.770 0.136 28 0 "[ . 1 . 2 . 3 ]"
1 55 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 56 GLU 0.770 0.136 28 0 "[ . 1 . 2 . 3 ]"
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 MET HA 1 2 THR H 2.500 . 2.900 2.560 2.182 3.088 0.188 17 0 "[ . 1 . 2 . 3 ]" 1
2 1 2 THR HA 1 3 TYR H 2.500 . 2.900 2.198 2.178 2.219 . 0 0 "[ . 1 . 2 . 3 ]" 1
3 1 3 TYR HA 1 4 LYS H 2.500 . 2.900 2.290 2.230 2.353 . 0 0 "[ . 1 . 2 . 3 ]" 1
4 1 4 LYS HA 1 5 LEU H 2.500 . 2.900 2.232 2.202 2.260 . 0 0 "[ . 1 . 2 . 3 ]" 1
5 1 5 LEU HA 1 6 ILE H 2.500 . 2.900 2.188 2.164 2.205 . 0 0 "[ . 1 . 2 . 3 ]" 1
6 1 6 ILE HA 1 7 LEU H 2.500 . 2.900 2.207 2.183 2.240 . 0 0 "[ . 1 . 2 . 3 ]" 1
7 1 7 LEU HA 1 8 ASN H 2.500 . 2.900 2.187 2.159 2.212 . 0 0 "[ . 1 . 2 . 3 ]" 1
8 1 8 ASN HA 1 9 GLY H 2.500 . 2.900 2.502 2.467 2.654 . 0 0 "[ . 1 . 2 . 3 ]" 1
9 1 9 GLY QA 1 10 LYS H 2.500 . 2.900 2.313 2.290 2.341 . 0 0 "[ . 1 . 2 . 3 ]" 1
10 1 10 LYS HA 1 11 THR H 4.000 . 5.000 3.527 3.504 3.547 . 0 0 "[ . 1 . 2 . 3 ]" 1
11 1 11 THR HA 1 12 LEU H 3.000 . 3.500 3.461 3.405 3.505 0.005 29 0 "[ . 1 . 2 . 3 ]" 1
12 1 12 LEU HA 1 13 LYS H 2.500 . 2.900 2.199 2.167 2.223 . 0 0 "[ . 1 . 2 . 3 ]" 1
13 1 13 LYS HA 1 14 GLY H 2.500 . 2.900 2.156 2.127 2.204 . 0 0 "[ . 1 . 2 . 3 ]" 1
14 1 14 GLY QA 1 15 GLU H 2.500 . 2.900 2.289 2.279 2.298 . 0 0 "[ . 1 . 2 . 3 ]" 1
15 1 15 GLU HA 1 16 THR H 2.500 . 2.900 2.340 2.308 2.361 . 0 0 "[ . 1 . 2 . 3 ]" 1
16 1 16 THR HA 1 17 THR H 3.000 . 3.500 2.490 2.438 2.523 . 0 0 "[ . 1 . 2 . 3 ]" 1
17 1 17 THR HA 1 18 THR H 2.500 . 2.900 2.370 2.351 2.387 . 0 0 "[ . 1 . 2 . 3 ]" 1
18 1 18 THR HA 1 19 GLU H 2.500 . 2.900 2.404 2.373 2.440 . 0 0 "[ . 1 . 2 . 3 ]" 1
19 1 19 GLU HA 1 20 ALA H 2.500 . 2.900 2.224 2.204 2.252 . 0 0 "[ . 1 . 2 . 3 ]" 1
20 1 20 ALA HA 1 21 VAL H 2.500 . 2.900 2.256 2.232 2.292 . 0 0 "[ . 1 . 2 . 3 ]" 1
21 1 21 VAL H 1 22 ASP H . . 2.900 2.710 2.658 2.748 . 0 0 "[ . 1 . 2 . 3 ]" 1
22 1 22 ASP HA 1 23 ALA H 2.500 . 2.900 2.543 2.480 2.600 . 0 0 "[ . 1 . 2 . 3 ]" 1
23 1 23 ALA HA 1 24 ALA H 4.000 . 5.000 3.563 3.533 3.579 . 0 0 "[ . 1 . 2 . 3 ]" 1
24 1 24 ALA HA 1 25 THR H 4.000 . 5.000 3.562 3.552 3.583 . 0 0 "[ . 1 . 2 . 3 ]" 1
25 1 25 THR HA 1 26 ALA H 4.000 . 5.000 3.537 3.518 3.557 . 0 0 "[ . 1 . 2 . 3 ]" 1
26 1 26 ALA HA 1 27 GLU H 4.000 . 5.000 3.564 3.545 3.577 . 0 0 "[ . 1 . 2 . 3 ]" 1
27 1 27 GLU HA 1 28 LYS H 4.000 . 5.000 3.576 3.552 3.605 . 0 0 "[ . 1 . 2 . 3 ]" 1
28 1 28 LYS HA 1 29 VAL H 4.000 . 5.000 3.568 3.547 3.585 . 0 0 "[ . 1 . 2 . 3 ]" 1
29 1 32 GLN HA 1 33 TYR H 4.000 . 5.000 3.550 3.535 3.562 . 0 0 "[ . 1 . 2 . 3 ]" 1
30 1 33 TYR HA 1 34 ALA H 3.000 . 3.500 3.564 3.550 3.577 0.077 6 0 "[ . 1 . 2 . 3 ]" 1
31 1 34 ALA HA 1 35 ASN H 4.000 . 5.000 3.564 3.543 3.583 . 0 0 "[ . 1 . 2 . 3 ]" 1
32 1 35 ASN HA 1 36 ASP H 4.000 . 5.000 3.561 3.540 3.583 . 0 0 "[ . 1 . 2 . 3 ]" 1
33 1 36 ASP HA 1 37 ASN H 4.000 . 5.000 3.482 3.446 3.514 . 0 0 "[ . 1 . 2 . 3 ]" 1
34 1 37 ASN HA 1 38 GLY H 3.000 . 3.500 3.242 3.211 3.294 . 0 0 "[ . 1 . 2 . 3 ]" 1
35 1 38 GLY QA 1 39 VAL H 3.000 . 3.500 2.806 2.763 2.850 . 0 0 "[ . 1 . 2 . 3 ]" 1
36 1 39 VAL HA 1 40 ASP H 3.000 . 3.500 2.181 2.142 2.216 . 0 0 "[ . 1 . 2 . 3 ]" 1
37 1 40 ASP HA 1 41 GLY H 3.000 . 3.500 2.684 2.226 3.475 . 0 0 "[ . 1 . 2 . 3 ]" 1
38 1 41 GLY QA 1 42 GLU H 2.500 . 2.900 2.216 2.175 2.260 . 0 0 "[ . 1 . 2 . 3 ]" 1
39 1 42 GLU HA 1 43 TRP H 2.500 . 2.900 2.213 2.156 2.265 . 0 0 "[ . 1 . 2 . 3 ]" 1
40 1 43 TRP HA 1 44 THR H 2.500 . 2.900 2.195 2.162 2.225 . 0 0 "[ . 1 . 2 . 3 ]" 1
41 1 44 THR HA 1 45 TYR H 2.500 . 2.900 2.309 2.292 2.326 . 0 0 "[ . 1 . 2 . 3 ]" 1
42 1 45 TYR HA 1 46 ASP H 2.500 . 2.900 2.178 2.168 2.193 . 0 0 "[ . 1 . 2 . 3 ]" 1
43 1 46 ASP HA 1 47 ASP H 2.500 . 2.900 2.205 2.190 2.223 . 0 0 "[ . 1 . 2 . 3 ]" 1
44 1 47 ASP HA 1 48 ALA H 4.000 . 6.000 3.519 3.500 3.539 . 0 0 "[ . 1 . 2 . 3 ]" 1
45 1 48 ALA HA 1 49 THR H 4.000 . 5.000 3.550 3.534 3.573 . 0 0 "[ . 1 . 2 . 3 ]" 1
46 1 49 THR HA 1 50 LYS H 3.000 . 3.500 3.323 3.302 3.339 . 0 0 "[ . 1 . 2 . 3 ]" 1
47 1 50 LYS HA 1 51 THR H 3.000 . 3.500 2.801 2.763 2.852 . 0 0 "[ . 1 . 2 . 3 ]" 1
48 1 51 THR HA 1 52 PHE H 2.500 . 2.900 2.172 2.158 2.190 . 0 0 "[ . 1 . 2 . 3 ]" 1
49 1 52 PHE HA 1 53 THR H 2.500 . 2.900 2.318 2.276 2.331 . 0 0 "[ . 1 . 2 . 3 ]" 1
50 1 53 THR HA 1 54 VAL H 2.500 . 2.900 2.166 2.147 2.178 . 0 0 "[ . 1 . 2 . 3 ]" 1
51 1 54 VAL HA 1 55 THR H 2.500 . 2.900 2.200 2.171 2.225 . 0 0 "[ . 1 . 2 . 3 ]" 1
52 1 55 THR HA 1 56 GLU H 2.500 . 2.900 2.178 2.155 2.201 . 0 0 "[ . 1 . 2 . 3 ]" 1
53 1 2 THR H 1 3 TYR H 4.000 . 5.000 4.545 4.501 4.583 . 0 0 "[ . 1 . 2 . 3 ]" 1
54 1 6 ILE H 1 7 LEU H 4.000 . 5.000 4.387 4.364 4.411 . 0 0 "[ . 1 . 2 . 3 ]" 1
55 1 8 ASN H 1 9 GLY H 3.000 . 3.500 3.453 3.276 3.538 0.038 18 0 "[ . 1 . 2 . 3 ]" 1
56 1 9 GLY H 1 10 LYS H 4.000 . 5.000 4.614 4.591 4.668 . 0 0 "[ . 1 . 2 . 3 ]" 1
57 1 10 LYS H 1 11 THR H 2.500 . 2.900 2.532 2.458 2.575 . 0 0 "[ . 1 . 2 . 3 ]" 1
58 1 11 THR H 1 12 LEU H 2.500 . 2.900 1.876 1.766 1.982 0.034 25 0 "[ . 1 . 2 . 3 ]" 1
59 1 12 LEU H 1 13 LYS H 4.000 . 5.000 4.420 4.364 4.495 . 0 0 "[ . 1 . 2 . 3 ]" 1
60 1 15 GLU H 1 16 THR H 4.000 . 5.000 4.391 4.376 4.407 . 0 0 "[ . 1 . 2 . 3 ]" 1
61 1 16 THR H 1 17 THR H 4.000 . 5.000 4.421 4.400 4.435 . 0 0 "[ . 1 . 2 . 3 ]" 1
62 1 18 THR H 1 19 GLU H 4.000 . 5.000 4.390 4.376 4.405 . 0 0 "[ . 1 . 2 . 3 ]" 1
63 1 22 ASP H 1 23 ALA H 4.000 . 5.000 4.404 4.388 4.414 . 0 0 "[ . 1 . 2 . 3 ]" 1
64 1 23 ALA H 1 24 ALA H 3.000 . 3.500 2.659 2.599 2.713 . 0 0 "[ . 1 . 2 . 3 ]" 1
65 1 24 ALA H 1 25 THR H 2.500 . 2.900 2.853 2.813 2.914 0.014 18 0 "[ . 1 . 2 . 3 ]" 1
66 1 25 THR H 1 26 ALA H 2.500 . 2.900 2.524 2.460 2.612 . 0 0 "[ . 1 . 2 . 3 ]" 1
67 1 26 ALA H 1 27 GLU H 2.500 . 2.900 2.676 2.639 2.721 . 0 0 "[ . 1 . 2 . 3 ]" 1
68 1 27 GLU H 1 28 LYS H 2.500 . 2.900 2.882 2.789 3.076 0.176 21 0 "[ . 1 . 2 . 3 ]" 1
69 1 28 LYS H 1 29 VAL H 2.500 . 2.900 2.703 2.619 2.803 . 0 0 "[ . 1 . 2 . 3 ]" 1
70 1 29 VAL H 1 30 PHE H 2.500 . 2.900 2.815 2.768 2.840 . 0 0 "[ . 1 . 2 . 3 ]" 1
71 1 30 PHE H 1 31 LYS H 2.500 . 2.900 2.756 2.705 2.801 . 0 0 "[ . 1 . 2 . 3 ]" 1
72 1 31 LYS H 1 32 GLN H 2.500 . 2.900 2.751 2.713 2.786 . 0 0 "[ . 1 . 2 . 3 ]" 1
73 1 32 GLN H 1 33 TYR H 2.500 . 2.900 2.582 2.536 2.638 . 0 0 "[ . 1 . 2 . 3 ]" 1
74 1 33 TYR H 1 34 ALA H 2.500 . 2.900 2.761 2.722 2.796 . 0 0 "[ . 1 . 2 . 3 ]" 1
75 1 34 ALA H 1 35 ASN H 2.500 . 2.900 2.711 2.664 2.767 . 0 0 "[ . 1 . 2 . 3 ]" 1
76 1 35 ASN H 1 36 ASP H 2.500 . 2.900 2.719 2.666 2.809 . 0 0 "[ . 1 . 2 . 3 ]" 1
77 1 36 ASP H 1 37 ASN H 2.500 . 2.900 2.638 2.571 2.683 . 0 0 "[ . 1 . 2 . 3 ]" 1
78 1 37 ASN H 1 38 GLY H 2.500 . 2.900 2.471 2.409 2.551 . 0 0 "[ . 1 . 2 . 3 ]" 1
79 1 38 GLY H 1 39 VAL H 2.500 . 2.900 2.669 2.596 2.728 . 0 0 "[ . 1 . 2 . 3 ]" 1
80 1 42 GLU H 1 43 TRP H 4.000 . 5.000 4.552 4.478 4.614 . 0 0 "[ . 1 . 2 . 3 ]" 1
81 1 44 THR H 1 45 TYR H 4.000 . 5.000 4.418 4.407 4.431 . 0 0 "[ . 1 . 2 . 3 ]" 1
82 1 45 TYR H 1 46 ASP H 4.000 . 5.000 4.372 4.346 4.398 . 0 0 "[ . 1 . 2 . 3 ]" 1
83 1 47 ASP H 1 48 ALA H 3.000 . 3.500 2.618 2.570 2.664 . 0 0 "[ . 1 . 2 . 3 ]" 1
84 1 48 ALA H 1 49 THR H 3.000 . 3.500 2.678 2.652 2.735 . 0 0 "[ . 1 . 2 . 3 ]" 1
85 1 49 THR H 1 50 LYS H 2.500 . 2.700 2.263 2.142 2.337 . 0 0 "[ . 1 . 2 . 3 ]" 1
86 1 50 LYS H 1 51 THR H 2.500 . 2.900 2.793 2.763 2.840 . 0 0 "[ . 1 . 2 . 3 ]" 1
87 1 51 THR H 1 52 PHE H 4.000 . 5.000 4.428 4.400 4.460 . 0 0 "[ . 1 . 2 . 3 ]" 1
88 1 55 THR H 1 56 GLU H 4.000 . 5.000 4.372 4.313 4.405 . 0 0 "[ . 1 . 2 . 3 ]" 1
89 1 2 THR HA 1 3 TYR QB 4.000 . 5.000 4.380 4.335 4.442 . 0 0 "[ . 1 . 2 . 3 ]" 1
90 1 4 LYS HA 1 5 LEU QB 4.000 . 6.000 4.052 4.011 4.088 . 0 0 "[ . 1 . 2 . 3 ]" 1
91 1 29 VAL HB 1 30 PHE HA 4.000 . 5.000 4.419 4.322 4.479 . 0 0 "[ . 1 . 2 . 3 ]" 1
92 1 51 THR HA 1 52 PHE QB 4.000 . 5.000 4.284 4.230 4.332 . 0 0 "[ . 1 . 2 . 3 ]" 1
93 1 52 PHE HA 1 53 THR HB 4.000 . 5.000 4.655 4.542 4.738 . 0 0 "[ . 1 . 2 . 3 ]" 1
94 1 48 ALA MB 1 49 THR HA 4.000 . 5.000 4.004 3.971 4.050 . 0 0 "[ . 1 . 2 . 3 ]" 1
95 1 6 ILE HB 1 7 LEU H 4.000 . 5.000 4.272 4.175 4.355 . 0 0 "[ . 1 . 2 . 3 ]" 1
96 1 2 THR MG 1 3 TYR H 2.500 . 3.400 2.571 2.431 2.700 . 0 0 "[ . 1 . 2 . 3 ]" 1
97 1 11 THR MG 1 12 LEU H 4.000 . 5.500 3.464 2.287 4.234 . 0 0 "[ . 1 . 2 . 3 ]" 1
98 1 10 LYS QB 1 11 THR MG 4.000 . 5.500 3.184 2.271 5.325 . 0 0 "[ . 1 . 2 . 3 ]" 1
99 1 16 THR MG 1 17 THR HA 4.000 . 6.500 3.710 3.590 3.843 . 0 0 "[ . 1 . 2 . 3 ]" 1
100 1 16 THR MG 1 17 THR H 3.000 . 3.900 3.340 3.224 3.442 . 0 0 "[ . 1 . 2 . 3 ]" 1
101 1 15 GLU HA 1 16 THR MG 4.000 . 5.500 3.410 3.296 3.542 . 0 0 "[ . 1 . 2 . 3 ]" 1
102 1 17 THR HA 1 18 THR MG 4.000 . 6.500 3.884 3.758 4.050 . 0 0 "[ . 1 . 2 . 3 ]" 1
103 1 18 THR MG 1 19 GLU H 3.000 . 3.900 3.222 3.102 3.328 . 0 0 "[ . 1 . 2 . 3 ]" 1
104 1 18 THR MG 1 19 GLU HA 4.000 . 6.500 3.839 3.747 3.946 . 0 0 "[ . 1 . 2 . 3 ]" 1
105 1 25 THR MG 1 26 ALA H 4.000 . 5.500 3.756 2.009 4.167 . 0 0 "[ . 1 . 2 . 3 ]" 1
106 1 49 THR MG 1 50 LYS H 4.000 . 5.500 4.133 3.953 4.262 . 0 0 "[ . 1 . 2 . 3 ]" 1
107 1 48 ALA MB 1 49 THR MG 3.000 . 3.800 2.557 2.442 2.803 . 0 0 "[ . 1 . 2 . 3 ]" 1
108 1 48 ALA H 1 49 THR MG 4.000 . 5.500 4.333 4.039 4.583 . 0 0 "[ . 1 . 2 . 3 ]" 1
109 1 51 THR MG 1 52 PHE H 2.500 . 3.400 2.586 2.432 2.662 . 0 0 "[ . 1 . 2 . 3 ]" 1
110 1 53 THR MG 1 54 VAL H 2.500 . 3.400 2.585 2.411 2.658 . 0 0 "[ . 1 . 2 . 3 ]" 1
111 1 53 THR HA 1 54 VAL HB 4.000 . 5.000 4.345 4.279 4.400 . 0 0 "[ . 1 . 2 . 3 ]" 1
112 1 53 THR HA 1 54 VAL MG1 4.000 . 5.500 4.033 3.849 4.167 . 0 0 "[ . 1 . 2 . 3 ]" 1
113 1 55 THR MG 1 56 GLU H 3.000 . 3.900 2.727 2.599 2.813 . 0 0 "[ . 1 . 2 . 3 ]" 1
114 1 54 VAL MG1 1 55 THR H 3.000 . 4.000 3.728 3.648 3.824 . 0 0 "[ . 1 . 2 . 3 ]" 1
115 1 54 VAL MG2 1 55 THR H 2.500 . 3.400 2.704 2.574 2.845 . 0 0 "[ . 1 . 2 . 3 ]" 1
116 1 38 GLY H 1 39 VAL MG2 4.000 . 5.500 4.028 3.879 4.205 . 0 0 "[ . 1 . 2 . 3 ]" 1
117 1 39 VAL MG1 1 40 ASP HA 4.000 . 5.500 3.606 3.422 3.833 . 0 0 "[ . 1 . 2 . 3 ]" 1
118 1 28 LYS HA 1 29 VAL MG2 4.000 . 5.500 4.964 4.858 5.029 . 0 0 "[ . 1 . 2 . 3 ]" 1
119 1 29 VAL MG1 1 30 PHE HA 4.000 . 5.500 3.186 3.140 3.420 . 0 0 "[ . 1 . 2 . 3 ]" 1
120 1 21 VAL MG2 1 22 ASP H 3.000 . 3.900 2.150 2.042 2.264 . 0 0 "[ . 1 . 2 . 3 ]" 1
121 1 36 ASP QB 1 37 ASN QD 4.000 . 5.000 3.611 2.206 4.535 . 0 0 "[ . 1 . 2 . 3 ]" 1
122 1 29 VAL MG1 1 30 PHE QD 4.000 . 6.500 3.770 3.361 4.010 . 0 0 "[ . 1 . 2 . 3 ]" 1
123 1 29 VAL MG1 1 30 PHE QE 4.000 . 7.500 4.219 3.886 4.471 . 0 0 "[ . 1 . 2 . 3 ]" 1
124 1 33 TYR QD 1 34 ALA HA 3.000 . 3.300 2.977 2.797 3.145 . 0 0 "[ . 1 . 2 . 3 ]" 1
125 1 33 TYR QE 1 34 ALA H 4.000 . 6.000 5.387 5.264 5.534 . 0 0 "[ . 1 . 2 . 3 ]" 1
126 1 33 TYR QD 1 34 ALA MB 4.000 . 5.500 3.539 3.375 3.732 . 0 0 "[ . 1 . 2 . 3 ]" 1
127 1 42 GLU HA 1 43 TRP HD1 4.000 . 5.000 3.445 3.327 3.563 . 0 0 "[ . 1 . 2 . 3 ]" 1
128 1 42 GLU QB 1 43 TRP HD1 4.000 . 5.000 5.066 4.982 5.166 0.166 1 0 "[ . 1 . 2 . 3 ]" 1
129 1 52 PHE QD 1 53 THR H 4.000 . 5.000 3.883 3.780 3.975 . 0 0 "[ . 1 . 2 . 3 ]" 1
130 1 51 THR MG 1 52 PHE QD 4.000 . 5.500 4.691 4.572 4.785 . 0 0 "[ . 1 . 2 . 3 ]" 1
131 1 51 THR HA 1 52 PHE QD 4.000 . 5.000 3.755 3.616 3.845 . 0 0 "[ . 1 . 2 . 3 ]" 1
132 1 7 LEU MD2 1 8 ASN H 4.000 . 5.500 3.720 3.579 3.880 . 0 0 "[ . 1 . 2 . 3 ]" 1
133 1 7 LEU QD 1 8 ASN HA 4.000 . 6.500 5.244 5.173 5.310 . 0 0 "[ . 1 . 2 . 3 ]" 1
134 1 12 LEU MD1 1 13 LYS H 3.000 . 3.800 2.641 2.098 3.369 . 0 0 "[ . 1 . 2 . 3 ]" 1
135 1 12 LEU MD2 1 13 LYS H 4.000 . 6.500 4.618 4.392 4.770 . 0 0 "[ . 1 . 2 . 3 ]" 1
136 1 9 GLY H 1 13 LYS HA 3.000 . 3.500 2.873 2.645 3.105 . 0 0 "[ . 1 . 2 . 3 ]" 1
137 1 46 ASP H 1 51 THR HB 4.000 . 5.000 4.065 3.898 4.209 . 0 0 "[ . 1 . 2 . 3 ]" 1
138 1 34 ALA MB 1 39 VAL MG1 4.000 . 5.500 2.883 2.544 3.061 . 0 0 "[ . 1 . 2 . 3 ]" 1
139 1 34 ALA MB 1 39 VAL MG2 4.000 . 6.500 3.641 3.429 3.870 . 0 0 "[ . 1 . 2 . 3 ]" 1
140 1 25 THR HB 1 28 LYS QD 4.000 . 6.000 5.505 4.560 6.273 0.273 1 0 "[ . 1 . 2 . 3 ]" 1
141 1 25 THR HB 1 28 LYS QE 4.000 . 6.000 5.371 3.870 6.159 0.159 32 0 "[ . 1 . 2 . 3 ]" 1
142 1 40 ASP HA 1 43 TRP HE1 4.000 . 5.000 3.298 3.006 3.851 . 0 0 "[ . 1 . 2 . 3 ]" 1
143 1 34 ALA HA 1 39 VAL HB 4.000 . 5.000 2.866 2.501 3.442 . 0 0 "[ . 1 . 2 . 3 ]" 1
144 1 9 GLY QA 1 11 THR H 4.000 . 6.000 3.295 3.201 3.373 . 0 0 "[ . 1 . 2 . 3 ]" 1
145 1 20 ALA HA 1 22 ASP H 4.000 . 5.000 4.014 3.878 4.151 . 0 0 "[ . 1 . 2 . 3 ]" 1
146 1 28 LYS HA 1 30 PHE H 4.000 . 5.000 5.004 4.897 5.059 0.059 9 0 "[ . 1 . 2 . 3 ]" 1
147 1 35 ASN HA 1 37 ASN H 4.000 . 5.000 3.898 3.761 4.012 . 0 0 "[ . 1 . 2 . 3 ]" 1
148 1 46 ASP HA 1 48 ALA H 4.000 . 5.000 3.648 3.581 3.708 . 0 0 "[ . 1 . 2 . 3 ]" 1
149 1 48 ALA HA 1 50 LYS H 4.000 . 5.000 4.221 4.155 4.281 . 0 0 "[ . 1 . 2 . 3 ]" 1
150 1 23 ALA HA 1 26 ALA H 3.000 . 3.500 3.115 3.019 3.238 . 0 0 "[ . 1 . 2 . 3 ]" 1
151 1 24 ALA HA 1 27 GLU H 3.000 . 3.500 3.583 3.545 3.634 0.134 3 0 "[ . 1 . 2 . 3 ]" 1
152 1 26 ALA HA 1 29 VAL H 3.000 . 3.500 3.383 3.228 3.546 0.046 21 0 "[ . 1 . 2 . 3 ]" 1
153 1 28 LYS HA 1 31 LYS H 4.000 . 5.000 3.913 3.697 4.130 . 0 0 "[ . 1 . 2 . 3 ]" 1
154 1 30 PHE HA 1 33 TYR H 4.000 . 5.000 3.314 3.162 3.426 . 0 0 "[ . 1 . 2 . 3 ]" 1
155 1 31 LYS HA 1 34 ALA H 3.000 . 3.500 3.586 3.531 3.643 0.143 12 0 "[ . 1 . 2 . 3 ]" 1
156 1 32 GLN HA 1 35 ASN H 4.000 . 5.000 3.432 3.322 3.540 . 0 0 "[ . 1 . 2 . 3 ]" 1
157 1 33 TYR HA 1 36 ASP H 3.000 . 3.500 3.500 3.346 3.570 0.070 10 0 "[ . 1 . 2 . 3 ]" 1
158 1 34 ALA HA 1 37 ASN H 4.000 . 5.000 3.350 3.221 3.501 . 0 0 "[ . 1 . 2 . 3 ]" 1
159 1 35 ASN HA 1 38 GLY H 3.000 . 3.500 3.427 3.282 3.531 0.031 7 0 "[ . 1 . 2 . 3 ]" 1
160 1 10 LYS H 1 12 LEU H 4.000 . 5.000 3.484 3.403 3.574 . 0 0 "[ . 1 . 2 . 3 ]" 1
161 1 24 ALA H 1 26 ALA H 4.000 . 5.000 4.192 4.087 4.313 . 0 0 "[ . 1 . 2 . 3 ]" 1
162 1 27 GLU H 1 29 VAL H 4.000 . 5.000 4.280 4.229 4.349 . 0 0 "[ . 1 . 2 . 3 ]" 1
163 1 28 LYS H 1 30 PHE H 4.000 . 5.000 4.519 4.384 4.643 . 0 0 "[ . 1 . 2 . 3 ]" 1
164 1 29 VAL H 1 31 LYS H 4.000 . 5.000 4.103 4.017 4.234 . 0 0 "[ . 1 . 2 . 3 ]" 1
165 1 31 LYS H 1 33 TYR H 4.000 . 5.000 4.141 4.073 4.219 . 0 0 "[ . 1 . 2 . 3 ]" 1
166 1 32 GLN H 1 34 ALA H 4.000 . 5.000 4.167 4.091 4.235 . 0 0 "[ . 1 . 2 . 3 ]" 1
167 1 34 ALA H 1 36 ASP H 4.000 . 5.000 4.164 4.110 4.264 . 0 0 "[ . 1 . 2 . 3 ]" 1
168 1 36 ASP H 1 38 GLY H 4.000 . 5.000 4.087 3.992 4.157 . 0 0 "[ . 1 . 2 . 3 ]" 1
169 1 37 ASN H 1 39 VAL H 4.000 . 5.000 3.513 3.438 3.607 . 0 0 "[ . 1 . 2 . 3 ]" 1
170 1 47 ASP H 1 49 THR H 4.000 . 5.000 4.356 4.308 4.409 . 0 0 "[ . 1 . 2 . 3 ]" 1
171 1 48 ALA H 1 50 LYS H 4.000 . 5.000 3.710 3.626 3.795 . 0 0 "[ . 1 . 2 . 3 ]" 1
172 1 49 THR H 1 51 THR H 4.000 . 5.000 3.677 3.628 3.755 . 0 0 "[ . 1 . 2 . 3 ]" 1
173 1 9 GLY H 1 12 LEU H 4.000 . 5.000 4.066 3.831 4.278 . 0 0 "[ . 1 . 2 . 3 ]" 1
174 1 27 GLU H 1 30 PHE H 4.000 . 5.000 4.859 4.782 4.964 . 0 0 "[ . 1 . 2 . 3 ]" 1
175 1 46 ASP H 1 51 THR H 4.000 . 5.000 3.114 2.996 3.288 . 0 0 "[ . 1 . 2 . 3 ]" 1
176 1 23 ALA HA 1 27 GLU H 4.000 . 5.000 4.256 4.089 4.386 . 0 0 "[ . 1 . 2 . 3 ]" 1
177 1 32 GLN HA 1 36 ASP H 4.000 . 5.000 3.981 3.691 4.239 . 0 0 "[ . 1 . 2 . 3 ]" 1
178 1 35 ASN HA 1 39 VAL H 4.000 . 5.000 3.146 2.954 3.325 . 0 0 "[ . 1 . 2 . 3 ]" 1
179 1 34 ALA HA 1 39 VAL H 4.000 . 5.000 3.949 3.672 4.396 . 0 0 "[ . 1 . 2 . 3 ]" 1
180 1 46 ASP HA 1 51 THR H 4.000 . 5.000 4.875 4.739 5.017 0.017 24 0 "[ . 1 . 2 . 3 ]" 1
181 1 23 ALA HA 1 26 ALA MB 3.000 . 3.800 2.441 2.267 2.691 . 0 0 "[ . 1 . 2 . 3 ]" 1
182 1 24 ALA HA 1 27 GLU QB 3.000 . 3.300 3.195 3.023 3.345 0.045 12 0 "[ . 1 . 2 . 3 ]" 1
183 1 26 ALA HA 1 29 VAL HB 3.000 . 3.300 2.524 2.416 2.651 . 0 0 "[ . 1 . 2 . 3 ]" 1
184 1 28 LYS HA 1 31 LYS QB 3.000 . 3.300 2.900 2.658 3.182 . 0 0 "[ . 1 . 2 . 3 ]" 1
185 1 29 VAL HA 1 32 GLN QB 3.000 . 3.300 3.162 3.028 3.327 0.027 12 0 "[ . 1 . 2 . 3 ]" 1
186 1 30 PHE HA 1 33 TYR QB 3.000 . 3.300 2.344 2.246 2.481 . 0 0 "[ . 1 . 2 . 3 ]" 1
187 1 31 LYS HA 1 34 ALA MB 3.000 . 3.300 2.645 2.498 2.751 . 0 0 "[ . 1 . 2 . 3 ]" 1
188 1 32 GLN HA 1 35 ASN QB 3.000 . 3.300 2.529 2.384 2.720 . 0 0 "[ . 1 . 2 . 3 ]" 1
189 1 33 TYR HA 1 36 ASP QB 3.000 . 3.300 2.701 2.568 2.846 . 0 0 "[ . 1 . 2 . 3 ]" 1
190 1 34 ALA HA 1 37 ASN QB 3.000 . 3.300 2.648 2.440 2.825 . 0 0 "[ . 1 . 2 . 3 ]" 1
191 1 8 ASN HA 1 13 LYS HA 4.000 . 5.000 3.225 2.899 3.398 . 0 0 "[ . 1 . 2 . 3 ]" 1
192 1 46 ASP QB 1 51 THR HB 3.000 . 3.300 2.859 2.695 3.022 . 0 0 "[ . 1 . 2 . 3 ]" 1
193 1 46 ASP QB 1 49 THR H 4.000 . 5.000 3.031 2.880 3.207 . 0 0 "[ . 1 . 2 . 3 ]" 1
194 1 48 ALA MB 1 50 LYS H 4.000 . 6.500 4.229 4.176 4.288 . 0 0 "[ . 1 . 2 . 3 ]" 1
195 1 34 ALA MB 1 39 VAL H 4.000 . 5.000 3.625 3.376 3.900 . 0 0 "[ . 1 . 2 . 3 ]" 1
196 1 37 ASN QB 1 39 VAL H 4.000 . 5.000 3.332 3.182 3.514 . 0 0 "[ . 1 . 2 . 3 ]" 1
197 1 23 ALA MB 1 26 ALA MB 4.000 . 6.000 3.417 3.246 3.584 . 0 0 "[ . 1 . 2 . 3 ]" 1
198 1 22 ASP QB 1 24 ALA H 4.000 . 5.000 3.027 2.842 3.185 . 0 0 "[ . 1 . 2 . 3 ]" 1
199 1 20 ALA MB 1 22 ASP H 3.000 . 5.000 2.661 2.468 2.794 . 0 0 "[ . 1 . 2 . 3 ]" 1
200 1 18 THR MG 1 20 ALA H 4.000 . 5.500 4.242 4.174 4.339 . 0 0 "[ . 1 . 2 . 3 ]" 1
201 1 22 ASP H 1 25 THR MG 4.000 . 5.500 3.467 1.832 4.019 . 0 0 "[ . 1 . 2 . 3 ]" 1
202 1 21 VAL H 1 25 THR MG 4.000 . 5.500 3.330 2.296 3.720 . 0 0 "[ . 1 . 2 . 3 ]" 1
203 1 46 ASP QB 1 49 THR MG 4.000 . 6.500 3.580 3.243 3.898 . 0 0 "[ . 1 . 2 . 3 ]" 1
204 1 46 ASP QB 1 51 THR MG 4.000 . 5.500 4.098 3.955 4.231 . 0 0 "[ . 1 . 2 . 3 ]" 1
205 1 53 THR MG 1 55 THR H 4.000 . 5.500 4.183 4.048 4.281 . 0 0 "[ . 1 . 2 . 3 ]" 1
206 1 54 VAL MG2 1 56 GLU QG 4.000 . 6.500 4.293 3.416 5.393 . 0 0 "[ . 1 . 2 . 3 ]" 1
207 1 54 VAL MG1 1 56 GLU QG 4.000 . 5.500 4.367 3.433 5.636 0.136 28 0 "[ . 1 . 2 . 3 ]" 1
208 1 34 ALA HA 1 39 VAL MG1 4.000 . 5.500 4.098 3.732 4.557 . 0 0 "[ . 1 . 2 . 3 ]" 1
209 1 26 ALA HA 1 29 VAL MG2 3.000 . 3.900 3.400 3.161 3.601 . 0 0 "[ . 1 . 2 . 3 ]" 1
210 1 26 ALA HA 1 29 VAL MG1 3.000 . 3.900 3.919 3.786 4.026 0.126 1 0 "[ . 1 . 2 . 3 ]" 1
211 1 29 VAL MG1 1 33 TYR QB 4.000 . 6.500 3.331 3.129 3.456 . 0 0 "[ . 1 . 2 . 3 ]" 1
212 1 6 ILE MG 1 8 ASN H 4.000 . 5.500 3.997 3.790 4.193 . 0 0 "[ . 1 . 2 . 3 ]" 1
213 1 6 ILE MG 1 8 ASN QB 4.000 . 5.500 3.759 3.042 4.244 . 0 0 "[ . 1 . 2 . 3 ]" 1
214 1 33 TYR HA 1 37 ASN QD 4.000 . 5.000 4.380 3.317 4.981 . 0 0 "[ . 1 . 2 . 3 ]" 1
215 1 34 ALA HA 1 37 ASN QD 4.000 . 6.000 3.652 2.314 5.119 . 0 0 "[ . 1 . 2 . 3 ]" 1
216 1 6 ILE MG 1 8 ASN QD 4.000 . 5.500 3.431 2.082 5.594 0.094 2 0 "[ . 1 . 2 . 3 ]" 1
217 1 27 GLU HA 1 30 PHE QD 4.000 . 5.000 3.869 3.679 4.120 . 0 0 "[ . 1 . 2 . 3 ]" 1
218 1 33 TYR QD 1 37 ASN QD 4.000 . 5.000 3.316 2.340 4.517 . 0 0 "[ . 1 . 2 . 3 ]" 1
219 1 45 TYR QE 1 47 ASP HA 3.000 . 3.300 2.695 2.343 3.080 . 0 0 "[ . 1 . 2 . 3 ]" 1
220 1 45 TYR QE 1 50 LYS HA 4.000 . 5.000 2.610 2.353 2.935 . 0 0 "[ . 1 . 2 . 3 ]" 1
221 1 45 TYR QE 1 50 LYS H 4.000 . 6.000 4.483 4.275 4.810 . 0 0 "[ . 1 . 2 . 3 ]" 1
222 1 45 TYR QE 1 47 ASP QB 3.000 . 3.300 2.575 2.334 2.949 . 0 0 "[ . 1 . 2 . 3 ]" 1
223 1 41 GLY H 1 43 TRP HE1 4.000 . 5.000 3.681 2.705 5.131 0.131 5 0 "[ . 1 . 2 . 3 ]" 1
224 1 41 GLY H 1 43 TRP HD1 4.000 . 6.000 4.589 3.634 5.988 . 0 0 "[ . 1 . 2 . 3 ]" 1
225 1 5 LEU HG 1 7 LEU HA 4.000 . 5.000 4.114 3.957 4.248 . 0 0 "[ . 1 . 2 . 3 ]" 1
226 1 5 LEU MD1 1 7 LEU HA 4.000 . 5.500 4.025 3.815 4.199 . 0 0 "[ . 1 . 2 . 3 ]" 1
227 1 5 LEU MD1 1 7 LEU HG 4.000 . 5.500 3.744 3.473 3.933 . 0 0 "[ . 1 . 2 . 3 ]" 1
228 1 5 LEU MD2 1 7 LEU HG 4.000 . 5.500 3.120 2.912 3.358 . 0 0 "[ . 1 . 2 . 3 ]" 1
229 1 5 LEU MD2 1 7 LEU MD1 3.000 . 4.300 3.013 2.787 3.199 . 0 0 "[ . 1 . 2 . 3 ]" 1
230 1 5 LEU MD2 1 7 LEU MD2 3.000 . 4.300 2.163 2.009 2.275 . 0 0 "[ . 1 . 2 . 3 ]" 1
231 1 5 LEU QB 1 7 LEU QD 4.000 . 6.500 3.841 3.621 3.997 . 0 0 "[ . 1 . 2 . 3 ]" 1
232 1 8 ASN HA 1 13 LYS QG 2.500 . 2.700 2.657 2.329 2.847 0.147 1 0 "[ . 1 . 2 . 3 ]" 1
233 1 8 ASN HA 1 13 LYS QD 4.000 . 5.000 4.398 4.040 5.007 0.007 19 0 "[ . 1 . 2 . 3 ]" 1
234 1 8 ASN HA 1 13 LYS QB 4.000 . 6.000 4.105 3.813 4.460 . 0 0 "[ . 1 . 2 . 3 ]" 1
235 1 24 ALA HA 1 27 GLU QG 3.000 . 3.300 3.235 2.845 3.367 0.067 32 0 "[ . 1 . 2 . 3 ]" 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 240
_Distance_constraint_stats_list.Viol_count 532
_Distance_constraint_stats_list.Viol_total 1025.870
_Distance_constraint_stats_list.Viol_max 0.368
_Distance_constraint_stats_list.Viol_rms 0.0215
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0042
_Distance_constraint_stats_list.Viol_average_violations_only 0.0603
_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 2 THR 0.627 0.067 27 0 "[ . 1 . 2 . 3 ]"
1 3 TYR 1.158 0.137 32 0 "[ . 1 . 2 . 3 ]"
1 4 LYS 1.090 0.090 9 0 "[ . 1 . 2 . 3 ]"
1 5 LEU 0.393 0.050 31 0 "[ . 1 . 2 . 3 ]"
1 6 ILE 0.743 0.117 15 0 "[ . 1 . 2 . 3 ]"
1 7 LEU 5.742 0.142 23 0 "[ . 1 . 2 . 3 ]"
1 8 ASN 0.249 0.055 13 0 "[ . 1 . 2 . 3 ]"
1 9 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 10 LYS 0.810 0.095 1 0 "[ . 1 . 2 . 3 ]"
1 12 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 13 LYS 0.348 0.101 10 0 "[ . 1 . 2 . 3 ]"
1 14 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 15 GLU 1.399 0.117 15 0 "[ . 1 . 2 . 3 ]"
1 16 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 17 THR 0.910 0.121 14 0 "[ . 1 . 2 . 3 ]"
1 18 THR 1.187 0.094 9 0 "[ . 1 . 2 . 3 ]"
1 19 GLU 0.196 0.049 17 0 "[ . 1 . 2 . 3 ]"
1 20 ALA 2.698 0.170 8 0 "[ . 1 . 2 . 3 ]"
1 23 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 26 ALA 2.716 0.170 8 0 "[ . 1 . 2 . 3 ]"
1 27 GLU 3.133 0.159 6 0 "[ . 1 . 2 . 3 ]"
1 29 VAL 0.014 0.014 32 0 "[ . 1 . 2 . 3 ]"
1 30 PHE 1.750 0.121 14 0 "[ . 1 . 2 . 3 ]"
1 31 LYS 0.359 0.109 27 0 "[ . 1 . 2 . 3 ]"
1 33 TYR 0.461 0.064 12 0 "[ . 1 . 2 . 3 ]"
1 34 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 37 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 39 VAL 0.959 0.095 1 0 "[ . 1 . 2 . 3 ]"
1 40 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 41 GLY 4.917 0.368 17 0 "[ . 1 . 2 . 3 ]"
1 42 GLU 0.677 0.078 1 0 "[ . 1 . 2 . 3 ]"
1 43 TRP 3.698 0.141 1 0 "[ . 1 . 2 . 3 ]"
1 44 THR 3.503 0.183 13 0 "[ . 1 . 2 . 3 ]"
1 45 TYR 0.018 0.011 6 0 "[ . 1 . 2 . 3 ]"
1 46 ASP 0.983 0.098 6 0 "[ . 1 . 2 . 3 ]"
1 50 LYS 0.113 0.034 7 0 "[ . 1 . 2 . 3 ]"
1 51 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 52 PHE 6.915 0.159 6 0 "[ . 1 . 2 . 3 ]"
1 53 THR 2.117 0.137 16 0 "[ . 1 . 2 . 3 ]"
1 54 VAL 13.061 0.368 17 0 "[ . 1 . 2 . 3 ]"
1 55 THR 0.927 0.078 1 0 "[ . 1 . 2 . 3 ]"
1 56 GLU 0.245 0.052 25 0 "[ . 1 . 2 . 3 ]"
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 2 THR HA 1 18 THR H 4.000 . 5.000 4.424 4.074 4.736 . 0 0 "[ . 1 . 2 . 3 ]" 2
2 1 4 LYS HA 1 18 THR H 4.000 . 5.000 3.905 3.759 4.132 . 0 0 "[ . 1 . 2 . 3 ]" 2
3 1 5 LEU HA 1 52 PHE H 3.000 . 3.500 2.930 2.749 3.081 . 0 0 "[ . 1 . 2 . 3 ]" 2
4 1 6 ILE HA 1 16 THR H 4.000 . 5.000 3.986 3.843 4.129 . 0 0 "[ . 1 . 2 . 3 ]" 2
5 1 8 ASN HA 1 14 GLY H 4.000 . 5.000 4.183 3.895 4.390 . 0 0 "[ . 1 . 2 . 3 ]" 2
6 1 7 LEU H 1 13 LYS HA 4.000 . 5.000 4.950 4.763 5.101 0.101 10 0 "[ . 1 . 2 . 3 ]" 2
7 1 7 LEU H 1 15 GLU HA 2.500 . 2.900 2.827 2.578 2.965 0.065 15 0 "[ . 1 . 2 . 3 ]" 2
8 1 5 LEU H 1 17 THR HA 3.000 . 3.500 3.294 3.148 3.408 . 0 0 "[ . 1 . 2 . 3 ]" 2
9 1 43 TRP HA 1 55 THR H 4.000 . 5.000 4.114 3.904 4.234 . 0 0 "[ . 1 . 2 . 3 ]" 2
10 1 46 ASP H 1 52 PHE HA 3.000 . 3.500 3.518 3.384 3.598 0.098 6 0 "[ . 1 . 2 . 3 ]" 2
11 1 6 ILE H 1 53 THR HA 2.500 . 2.900 2.642 2.550 2.712 . 0 0 "[ . 1 . 2 . 3 ]" 2
12 1 44 THR H 1 54 VAL HA 3.000 . 3.500 3.606 3.392 3.683 0.183 13 0 "[ . 1 . 2 . 3 ]" 2
13 1 42 GLU H 1 56 GLU HA 4.000 . 5.000 3.871 3.335 4.096 . 0 0 "[ . 1 . 2 . 3 ]" 2
14 1 3 TYR H 1 18 THR H 3.000 . 3.500 3.039 2.732 3.345 . 0 0 "[ . 1 . 2 . 3 ]" 2
15 1 6 ILE H 1 54 VAL H 4.000 . 5.000 3.928 3.811 4.081 . 0 0 "[ . 1 . 2 . 3 ]" 2
16 1 7 LEU H 1 14 GLY H 3.000 . 3.500 3.288 3.165 3.394 . 0 0 "[ . 1 . 2 . 3 ]" 2
17 1 8 ASN H 1 54 VAL H 4.000 . 5.000 3.964 3.757 4.141 . 0 0 "[ . 1 . 2 . 3 ]" 2
18 1 5 LEU H 1 16 THR H 3.000 . 3.500 2.949 2.815 3.116 . 0 0 "[ . 1 . 2 . 3 ]" 2
19 1 42 GLU H 1 55 THR H 4.000 . 5.000 3.155 2.901 3.600 . 0 0 "[ . 1 . 2 . 3 ]" 2
20 1 44 THR H 1 53 THR H 3.000 . 3.500 2.974 2.828 3.127 . 0 0 "[ . 1 . 2 . 3 ]" 2
21 1 4 LYS H 1 52 PHE H 3.000 . 3.500 3.529 3.413 3.590 0.090 9 0 "[ . 1 . 2 . 3 ]" 2
22 1 6 ILE H 1 52 PHE H 4.000 . 5.000 4.304 4.080 4.550 . 0 0 "[ . 1 . 2 . 3 ]" 2
23 1 4 LYS HA 1 17 THR HA 2.500 . 2.700 2.393 2.310 2.569 . 0 0 "[ . 1 . 2 . 3 ]" 2
24 1 6 ILE HA 1 15 GLU HA 2.500 . 2.700 2.708 2.601 2.817 0.117 15 0 "[ . 1 . 2 . 3 ]" 2
25 1 2 THR HA 1 19 GLU HA 2.500 . 2.700 2.624 2.386 2.749 0.049 17 0 "[ . 1 . 2 . 3 ]" 2
26 1 43 TRP HA 1 54 VAL HA 2.500 . 2.700 2.684 2.498 2.797 0.097 26 0 "[ . 1 . 2 . 3 ]" 2
27 1 5 LEU HA 1 51 THR HA 4.000 . 6.000 4.558 4.408 4.710 . 0 0 "[ . 1 . 2 . 3 ]" 2
28 1 45 TYR HA 1 52 PHE HA 2.500 . 2.700 2.367 2.312 2.470 . 0 0 "[ . 1 . 2 . 3 ]" 2
29 1 5 LEU HA 1 53 THR HA 4.000 . 6.000 4.106 4.031 4.189 . 0 0 "[ . 1 . 2 . 3 ]" 2
30 1 7 LEU HA 1 53 THR HA 4.000 . 5.000 5.054 4.849 5.137 0.137 16 0 "[ . 1 . 2 . 3 ]" 2
31 1 41 GLY QA 1 56 GLU HA 2.500 . 2.700 2.366 2.177 2.665 . 0 0 "[ . 1 . 2 . 3 ]" 2
32 1 2 THR HA 1 19 GLU QB 4.000 . 5.000 4.392 3.966 4.670 . 0 0 "[ . 1 . 2 . 3 ]" 2
33 1 3 TYR HA 1 50 LYS QB 4.000 . 5.000 2.884 2.649 3.190 . 0 0 "[ . 1 . 2 . 3 ]" 2
34 1 4 LYS HA 1 17 THR HB 4.000 . 5.000 3.758 3.502 4.069 . 0 0 "[ . 1 . 2 . 3 ]" 2
35 1 5 LEU HA 1 52 PHE QB 3.000 . 3.300 2.805 2.570 3.055 . 0 0 "[ . 1 . 2 . 3 ]" 2
36 1 2 THR HB 1 17 THR HA 4.000 . 7.000 6.967 6.781 7.067 0.067 27 0 "[ . 1 . 2 . 3 ]" 2
37 1 4 LYS QB 1 17 THR HA 4.000 . 6.000 4.218 4.034 4.490 . 0 0 "[ . 1 . 2 . 3 ]" 2
38 1 20 ALA MB 1 26 ALA HA 3.000 . 3.300 3.199 3.100 3.318 0.018 8 0 "[ . 1 . 2 . 3 ]" 2
39 1 34 ALA MB 1 40 ASP HA 4.000 . 5.000 4.141 3.826 4.756 . 0 0 "[ . 1 . 2 . 3 ]" 2
40 1 8 ASN QB 1 55 THR HA 2.500 . 2.700 2.563 2.331 2.755 0.055 13 0 "[ . 1 . 2 . 3 ]" 2
41 1 43 TRP QB 1 54 VAL HA 4.000 . 5.000 4.695 4.494 4.827 . 0 0 "[ . 1 . 2 . 3 ]" 2
42 1 43 TRP HA 1 54 VAL HB 4.000 . 5.000 3.842 3.533 4.072 . 0 0 "[ . 1 . 2 . 3 ]" 2
43 1 3 TYR QB 1 52 PHE HA 4.000 . 6.000 6.013 5.848 6.137 0.137 32 0 "[ . 1 . 2 . 3 ]" 2
44 1 3 TYR QB 1 26 ALA MB 3.000 . 3.300 2.824 2.510 3.193 . 0 0 "[ . 1 . 2 . 3 ]" 2
45 1 20 ALA MB 1 26 ALA MB 2.500 . 2.700 2.779 2.613 2.870 0.170 8 0 "[ . 1 . 2 . 3 ]" 2
46 1 34 ALA MB 1 54 VAL HB 4.000 . 5.000 4.415 4.193 4.587 . 0 0 "[ . 1 . 2 . 3 ]" 2
47 1 8 ASN H 1 54 VAL HB 4.000 . 6.000 5.521 5.336 5.748 . 0 0 "[ . 1 . 2 . 3 ]" 2
48 1 42 GLU QB 1 55 THR HB 3.000 . 3.300 3.299 3.088 3.378 0.078 1 0 "[ . 1 . 2 . 3 ]" 2
49 1 3 TYR H 1 17 THR HB 4.000 . 5.000 4.472 4.114 4.948 . 0 0 "[ . 1 . 2 . 3 ]" 2
50 1 44 THR H 1 53 THR HB 4.000 . 5.000 3.989 3.759 4.266 . 0 0 "[ . 1 . 2 . 3 ]" 2
51 1 42 GLU H 1 55 THR HB 4.000 . 5.000 3.734 3.393 4.379 . 0 0 "[ . 1 . 2 . 3 ]" 2
52 1 3 TYR QB 1 18 THR H 4.000 . 6.000 3.789 3.446 4.234 . 0 0 "[ . 1 . 2 . 3 ]" 2
53 1 5 LEU QB 1 16 THR H 3.000 . 3.500 3.242 2.952 3.436 . 0 0 "[ . 1 . 2 . 3 ]" 2
54 1 5 LEU QB 1 15 GLU H 4.000 . 7.000 6.849 6.625 7.012 0.012 20 0 "[ . 1 . 2 . 3 ]" 2
55 1 7 LEU H 1 15 GLU QB 4.000 . 6.000 3.783 3.347 4.656 . 0 0 "[ . 1 . 2 . 3 ]" 2
56 1 10 LYS H 1 56 GLU QB 2.500 . 2.900 2.672 2.309 2.940 0.040 19 0 "[ . 1 . 2 . 3 ]" 2
57 1 5 LEU MD2 1 16 THR MG 3.000 . 4.300 2.548 2.293 2.732 . 0 0 "[ . 1 . 2 . 3 ]" 2
58 1 5 LEU MD2 1 30 PHE HA 3.000 . 3.800 3.333 3.017 3.540 . 0 0 "[ . 1 . 2 . 3 ]" 2
59 1 5 LEU MD1 1 30 PHE QB 4.000 . 5.500 3.235 2.877 3.618 . 0 0 "[ . 1 . 2 . 3 ]" 2
60 1 5 LEU MD2 1 30 PHE QB . . 3.800 2.268 2.213 2.334 . 0 0 "[ . 1 . 2 . 3 ]" 2
61 1 5 LEU MD2 1 33 TYR QB 4.000 . 5.500 3.627 3.364 3.954 . 0 0 "[ . 1 . 2 . 3 ]" 2
62 1 5 LEU MD2 1 34 ALA HA 4.000 . 5.500 4.343 3.957 4.747 . 0 0 "[ . 1 . 2 . 3 ]" 2
63 1 5 LEU MD2 1 34 ALA H 4.000 . 5.500 4.229 3.951 4.550 . 0 0 "[ . 1 . 2 . 3 ]" 2
64 1 5 LEU MD2 1 34 ALA MB 3.000 . 3.800 3.222 2.659 3.731 . 0 0 "[ . 1 . 2 . 3 ]" 2
65 1 5 LEU MD1 1 34 ALA MB 4.000 . 6.500 4.237 3.856 4.583 . 0 0 "[ . 1 . 2 . 3 ]" 2
66 1 5 LEU MD1 1 52 PHE H 4.000 . 5.500 3.771 3.600 3.895 . 0 0 "[ . 1 . 2 . 3 ]" 2
67 1 5 LEU MD1 1 54 VAL H 2.500 . 3.200 3.053 2.937 3.203 0.003 26 0 "[ . 1 . 2 . 3 ]" 2
68 1 5 LEU MD1 1 15 GLU HA 4.000 . 5.500 5.350 5.057 5.550 0.050 31 0 "[ . 1 . 2 . 3 ]" 2
69 1 5 LEU MD1 1 53 THR HA 3.000 . 3.800 2.709 2.573 2.830 . 0 0 "[ . 1 . 2 . 3 ]" 2
70 1 5 LEU MD1 1 54 VAL MG1 4.000 . 6.000 2.900 2.656 3.103 . 0 0 "[ . 1 . 2 . 3 ]" 2
71 1 5 LEU MD1 1 54 VAL MG2 4.000 . 6.000 4.119 3.985 4.263 . 0 0 "[ . 1 . 2 . 3 ]" 2
72 1 5 LEU MD1 1 54 VAL HB 4.000 . 5.500 2.865 2.676 3.021 . 0 0 "[ . 1 . 2 . 3 ]" 2
73 1 5 LEU HG 1 15 GLU HA 4.000 . 5.000 4.279 3.956 4.525 . 0 0 "[ . 1 . 2 . 3 ]" 2
74 1 6 ILE MG 1 14 GLY H 4.000 . 5.500 4.468 4.233 4.654 . 0 0 "[ . 1 . 2 . 3 ]" 2
75 1 6 ILE MD 1 15 GLU QB 4.000 . 5.500 4.495 2.407 5.204 . 0 0 "[ . 1 . 2 . 3 ]" 2
76 1 7 LEU MD1 1 15 GLU HA 3.000 . 3.800 3.685 3.222 3.883 0.083 5 0 "[ . 1 . 2 . 3 ]" 2
77 1 7 LEU MD1 1 16 THR MG 3.000 . 4.300 3.036 2.761 3.236 . 0 0 "[ . 1 . 2 . 3 ]" 2
78 1 7 LEU QD 1 34 ALA H 4.000 . 5.500 4.744 4.472 4.959 . 0 0 "[ . 1 . 2 . 3 ]" 2
79 1 7 LEU MD1 1 34 ALA HA 4.000 . 5.500 4.387 3.865 4.925 . 0 0 "[ . 1 . 2 . 3 ]" 2
80 1 7 LEU MD2 1 34 ALA HA 4.000 . 5.500 3.621 3.312 3.999 . 0 0 "[ . 1 . 2 . 3 ]" 2
81 1 7 LEU QD 1 15 GLU QG 4.000 . 6.000 5.241 4.690 5.689 . 0 0 "[ . 1 . 2 . 3 ]" 2
82 1 7 LEU MD2 1 34 ALA MB 3.000 . 3.800 3.090 2.729 3.500 . 0 0 "[ . 1 . 2 . 3 ]" 2
83 1 7 LEU MD2 1 54 VAL HB 4.000 . 5.500 3.723 3.439 4.190 . 0 0 "[ . 1 . 2 . 3 ]" 2
84 1 7 LEU MD2 1 39 VAL HB 4.000 . 5.500 3.716 3.482 4.161 . 0 0 "[ . 1 . 2 . 3 ]" 2
85 1 12 LEU MD2 1 37 ASN QB 2.500 . 3.200 2.416 2.035 2.904 . 0 0 "[ . 1 . 2 . 3 ]" 2
86 1 12 LEU MD1 1 37 ASN QB 4.000 . 5.500 4.023 3.336 4.537 . 0 0 "[ . 1 . 2 . 3 ]" 2
87 1 10 LYS H 1 56 GLU QG 4.000 . 5.000 3.788 2.911 4.350 . 0 0 "[ . 1 . 2 . 3 ]" 2
88 1 9 GLY H 1 39 VAL MG1 4.000 2.800 5.500 4.810 4.440 5.146 . 0 0 "[ . 1 . 2 . 3 ]" 2
89 1 9 GLY H 1 39 VAL MG2 4.000 . 6.500 4.966 4.597 5.406 . 0 0 "[ . 1 . 2 . 3 ]" 2
90 1 8 ASN H 1 39 VAL MG1 4.000 . 6.500 4.494 4.221 5.010 . 0 0 "[ . 1 . 2 . 3 ]" 2
91 1 10 LYS H 1 39 VAL MG1 4.000 . 6.500 5.297 4.968 5.630 . 0 0 "[ . 1 . 2 . 3 ]" 2
92 1 10 LYS H 1 39 VAL MG2 4.000 . 5.500 5.449 5.026 5.595 0.095 1 0 "[ . 1 . 2 . 3 ]" 2
93 1 12 LEU H 1 39 VAL MG2 4.000 . 5.500 4.983 4.708 5.249 . 0 0 "[ . 1 . 2 . 3 ]" 2
94 1 12 LEU H 1 39 VAL MG1 4.000 . 6.500 5.922 5.589 6.317 . 0 0 "[ . 1 . 2 . 3 ]" 2
95 1 39 VAL MG1 1 54 VAL HA 4.000 . 5.500 5.299 4.893 5.551 0.051 13 0 "[ . 1 . 2 . 3 ]" 2
96 1 39 VAL MG1 1 56 GLU HA 4.000 . 5.500 4.567 3.727 5.197 . 0 0 "[ . 1 . 2 . 3 ]" 2
97 1 39 VAL MG1 1 56 GLU H 4.000 . 5.500 4.560 3.820 4.999 . 0 0 "[ . 1 . 2 . 3 ]" 2
98 1 39 VAL MG1 1 56 GLU QG 3.000 . 4.000 2.915 2.141 4.052 0.052 25 0 "[ . 1 . 2 . 3 ]" 2
99 1 39 VAL MG1 1 56 GLU QB 4.000 . 6.500 3.732 2.402 4.507 . 0 0 "[ . 1 . 2 . 3 ]" 2
100 1 39 VAL MG1 1 54 VAL MG1 2.500 . 3.700 2.296 2.009 2.523 . 0 0 "[ . 1 . 2 . 3 ]" 2
101 1 39 VAL MG1 1 54 VAL MG2 2.500 . 3.700 2.631 2.240 2.884 . 0 0 "[ . 1 . 2 . 3 ]" 2
102 1 39 VAL MG1 1 54 VAL HB 4.000 . 5.500 4.305 3.991 4.565 . 0 0 "[ . 1 . 2 . 3 ]" 2
103 1 7 LEU HA 1 39 VAL MG1 4.000 . 5.500 4.207 3.992 4.659 . 0 0 "[ . 1 . 2 . 3 ]" 2
104 1 5 LEU QB 1 54 VAL MG1 4.000 . 5.500 5.335 5.102 5.497 . 0 0 "[ . 1 . 2 . 3 ]" 2
105 1 7 LEU MD2 1 54 VAL MG1 2.500 . 3.700 1.974 1.899 2.107 . 0 0 "[ . 1 . 2 . 3 ]" 2
106 1 7 LEU MD2 1 54 VAL MG2 4.000 . 7.000 3.876 3.758 4.064 . 0 0 "[ . 1 . 2 . 3 ]" 2
107 1 7 LEU HG 1 54 VAL MG1 3.000 . 3.800 3.854 3.511 3.942 0.142 23 0 "[ . 1 . 2 . 3 ]" 2
108 1 7 LEU QB 1 54 VAL MG2 4.000 . 6.500 5.812 5.665 5.973 . 0 0 "[ . 1 . 2 . 3 ]" 2
109 1 8 ASN H 1 54 VAL MG1 2.500 . 3.200 2.848 2.652 3.060 . 0 0 "[ . 1 . 2 . 3 ]" 2
110 1 34 ALA MB 1 54 VAL MG1 3.000 . 3.800 3.309 2.986 3.514 . 0 0 "[ . 1 . 2 . 3 ]" 2
111 1 34 ALA MB 1 54 VAL MG2 4.000 . 6.500 3.425 3.230 3.645 . 0 0 "[ . 1 . 2 . 3 ]" 2
112 1 39 VAL HB 1 54 VAL MG1 4.000 . 5.500 4.069 3.686 4.411 . 0 0 "[ . 1 . 2 . 3 ]" 2
113 1 40 ASP HA 1 54 VAL MG2 4.000 . 5.500 3.919 3.652 4.220 . 0 0 "[ . 1 . 2 . 3 ]" 2
114 1 41 GLY H 1 54 VAL MG2 3.000 . 3.800 3.548 2.882 4.168 0.368 17 0 "[ . 1 . 2 . 3 ]" 2
115 1 41 GLY H 1 54 VAL MG1 4.000 . 5.500 5.337 4.744 5.607 0.107 23 0 "[ . 1 . 2 . 3 ]" 2
116 1 41 GLY QA 1 54 VAL MG2 4.000 . 5.500 2.981 2.231 3.894 . 0 0 "[ . 1 . 2 . 3 ]" 2
117 1 42 GLU H 1 54 VAL MG2 4.000 . 5.500 3.715 3.434 3.937 . 0 0 "[ . 1 . 2 . 3 ]" 2
118 1 43 TRP HA 1 54 VAL MG2 3.000 . 3.900 2.801 2.569 3.153 . 0 0 "[ . 1 . 2 . 3 ]" 2
119 1 2 THR MG 1 18 THR H 2.500 . 3.400 3.066 2.884 3.225 . 0 0 "[ . 1 . 2 . 3 ]" 2
120 1 2 THR MG 1 17 THR HA 4.000 . 6.500 4.090 3.918 4.249 . 0 0 "[ . 1 . 2 . 3 ]" 2
121 1 2 THR MG 1 19 GLU QG 4.000 . 5.500 3.856 2.809 5.175 . 0 0 "[ . 1 . 2 . 3 ]" 2
122 1 5 LEU H 1 16 THR MG 3.000 . 3.900 3.238 3.058 3.396 . 0 0 "[ . 1 . 2 . 3 ]" 2
123 1 5 LEU QB 1 16 THR MG 3.000 . 3.800 2.098 2.035 2.234 . 0 0 "[ . 1 . 2 . 3 ]" 2
124 1 16 THR MG 1 33 TYR QB 4.000 . 6.500 4.504 4.299 4.945 . 0 0 "[ . 1 . 2 . 3 ]" 2
125 1 4 LYS HA 1 17 THR MG 3.000 . 3.800 2.552 2.287 2.991 . 0 0 "[ . 1 . 2 . 3 ]" 2
126 1 4 LYS H 1 17 THR MG 4.000 . 6.500 4.819 4.395 5.343 . 0 0 "[ . 1 . 2 . 3 ]" 2
127 1 3 TYR H 1 18 THR MG 3.000 . 3.900 3.213 3.016 3.424 . 0 0 "[ . 1 . 2 . 3 ]" 2
128 1 3 TYR QB 1 18 THR MG 4.000 . 5.500 2.552 2.320 2.887 . 0 0 "[ . 1 . 2 . 3 ]" 2
129 1 18 THR MG 1 26 ALA HA 3.000 . 3.800 3.536 3.377 3.727 . 0 0 "[ . 1 . 2 . 3 ]" 2
130 1 18 THR MG 1 29 VAL MG1 3.000 . 4.300 2.829 2.465 3.070 . 0 0 "[ . 1 . 2 . 3 ]" 2
131 1 18 THR MG 1 29 VAL MG2 4.000 . 6.000 3.861 3.504 4.097 . 0 0 "[ . 1 . 2 . 3 ]" 2
132 1 18 THR MG 1 29 VAL HB 3.000 . 3.800 3.576 3.280 3.814 0.014 32 0 "[ . 1 . 2 . 3 ]" 2
133 1 4 LYS QB 1 51 THR MG 3.000 . 3.800 2.392 2.265 2.724 . 0 0 "[ . 1 . 2 . 3 ]" 2
134 1 5 LEU HA 1 51 THR MG 4.000 . 5.500 3.405 3.254 3.556 . 0 0 "[ . 1 . 2 . 3 ]" 2
135 1 6 ILE QG 1 51 THR MG 4.000 . 6.000 2.628 2.147 3.606 . 0 0 "[ . 1 . 2 . 3 ]" 2
136 1 6 ILE HB 1 53 THR MG 3.000 . 3.800 2.468 2.305 2.759 . 0 0 "[ . 1 . 2 . 3 ]" 2
137 1 7 LEU H 1 53 THR MG 4.000 . 5.500 5.445 5.318 5.526 0.026 4 0 "[ . 1 . 2 . 3 ]" 2
138 1 8 ASN QB 1 53 THR MG 4.000 . 5.500 3.863 3.444 4.198 . 0 0 "[ . 1 . 2 . 3 ]" 2
139 1 8 ASN H 1 55 THR MG 4.000 . 5.500 4.915 4.556 5.187 . 0 0 "[ . 1 . 2 . 3 ]" 2
140 1 3 TYR QD 1 20 ALA MB 3.000 . 3.800 2.465 2.263 3.030 . 0 0 "[ . 1 . 2 . 3 ]" 2
141 1 3 TYR QE 1 20 ALA MB 3.000 . 3.800 2.453 2.276 3.024 . 0 0 "[ . 1 . 2 . 3 ]" 2
142 1 3 TYR QE 1 23 ALA MB 4.000 . 6.500 2.612 2.295 3.002 . 0 0 "[ . 1 . 2 . 3 ]" 2
143 1 3 TYR QD 1 26 ALA MB 3.000 . 3.800 3.140 2.694 3.375 . 0 0 "[ . 1 . 2 . 3 ]" 2
144 1 3 TYR QD 1 45 TYR QE 3.000 . 3.300 2.417 2.306 2.773 . 0 0 "[ . 1 . 2 . 3 ]" 2
145 1 3 TYR QD 1 50 LYS HA 3.000 . 3.300 3.175 2.950 3.329 0.029 11 0 "[ . 1 . 2 . 3 ]" 2
146 1 3 TYR QD 1 50 LYS QB 2.500 . 2.700 2.574 2.323 2.734 0.034 7 0 "[ . 1 . 2 . 3 ]" 2
147 1 3 TYR QB 1 30 PHE HZ 4.000 . 5.000 2.969 2.587 3.427 . 0 0 "[ . 1 . 2 . 3 ]" 2
148 1 3 TYR QB 1 30 PHE QE 4.000 . 5.000 2.150 2.058 2.376 . 0 0 "[ . 1 . 2 . 3 ]" 2
149 1 4 LYS HA 1 30 PHE HZ 4.000 . 5.000 3.619 3.134 4.034 . 0 0 "[ . 1 . 2 . 3 ]" 2
150 1 4 LYS HA 1 30 PHE QE 4.000 . 5.000 4.462 4.136 4.737 . 0 0 "[ . 1 . 2 . 3 ]" 2
151 1 5 LEU QB 1 30 PHE QD 3.000 . 3.300 2.988 2.816 3.160 . 0 0 "[ . 1 . 2 . 3 ]" 2
152 1 5 LEU QB 1 30 PHE QE 3.000 . 3.300 2.580 2.481 2.776 . 0 0 "[ . 1 . 2 . 3 ]" 2
153 1 5 LEU QB 1 30 PHE HZ 4.000 . 5.000 3.299 3.042 3.504 . 0 0 "[ . 1 . 2 . 3 ]" 2
154 1 5 LEU H 1 30 PHE HZ 4.000 . 5.000 3.949 3.586 4.281 . 0 0 "[ . 1 . 2 . 3 ]" 2
155 1 5 LEU H 1 30 PHE QE 4.000 . 5.000 4.001 3.764 4.256 . 0 0 "[ . 1 . 2 . 3 ]" 2
156 1 16 THR MG 1 30 PHE QE 3.000 . 3.800 2.301 2.248 2.586 . 0 0 "[ . 1 . 2 . 3 ]" 2
157 1 16 THR MG 1 30 PHE HZ 4.000 . 6.500 4.019 3.751 4.290 . 0 0 "[ . 1 . 2 . 3 ]" 2
158 1 16 THR HB 1 30 PHE QE 4.000 . 6.000 5.241 5.063 5.538 . 0 0 "[ . 1 . 2 . 3 ]" 2
159 1 17 THR HA 1 30 PHE HZ 3.000 . 3.300 3.239 3.019 3.421 0.121 14 0 "[ . 1 . 2 . 3 ]" 2
160 1 17 THR HA 1 30 PHE QE 4.000 . 5.000 3.858 3.508 4.183 . 0 0 "[ . 1 . 2 . 3 ]" 2
161 1 17 THR HB 1 30 PHE HZ 4.000 . 6.000 5.159 4.903 5.322 . 0 0 "[ . 1 . 2 . 3 ]" 2
162 1 18 THR H 1 30 PHE QE 4.000 . 5.000 4.262 4.068 4.388 . 0 0 "[ . 1 . 2 . 3 ]" 2
163 1 18 THR HB 1 30 PHE HZ 4.000 . 5.000 3.491 2.926 4.015 . 0 0 "[ . 1 . 2 . 3 ]" 2
164 1 18 THR HB 1 30 PHE QE 3.000 . 3.300 3.318 3.121 3.394 0.094 9 0 "[ . 1 . 2 . 3 ]" 2
165 1 18 THR MG 1 30 PHE HZ 3.000 . 3.800 2.210 2.163 2.316 . 0 0 "[ . 1 . 2 . 3 ]" 2
166 1 16 THR MG 1 33 TYR QD 4.000 . 5.500 3.882 3.575 4.286 . 0 0 "[ . 1 . 2 . 3 ]" 2
167 1 5 LEU MD2 1 33 TYR QD 3.000 . 3.800 3.097 2.802 3.385 . 0 0 "[ . 1 . 2 . 3 ]" 2
168 1 7 LEU MD1 1 33 TYR QD 3.000 . 3.800 3.509 3.243 3.798 . 0 0 "[ . 1 . 2 . 3 ]" 2
169 1 7 LEU MD1 1 33 TYR QE 3.000 . 3.800 2.345 2.196 2.678 . 0 0 "[ . 1 . 2 . 3 ]" 2
170 1 7 LEU MD2 1 33 TYR QD 3.000 . 3.800 3.604 3.195 3.783 . 0 0 "[ . 1 . 2 . 3 ]" 2
171 1 7 LEU MD2 1 33 TYR QE 3.000 . 3.800 3.716 3.119 3.864 0.064 12 0 "[ . 1 . 2 . 3 ]" 2
172 1 5 LEU MD1 1 43 TRP HH2 3.000 . 3.800 3.713 3.460 3.833 0.033 31 0 "[ . 1 . 2 . 3 ]" 2
173 1 5 LEU MD1 1 43 TRP HZ3 3.000 . 3.800 2.741 2.464 3.074 . 0 0 "[ . 1 . 2 . 3 ]" 2
174 1 5 LEU QB 1 43 TRP HZ3 4.000 . 5.000 4.660 4.422 4.993 . 0 0 "[ . 1 . 2 . 3 ]" 2
175 1 5 LEU MD1 1 43 TRP HE3 4.000 . 5.500 3.949 3.689 4.233 . 0 0 "[ . 1 . 2 . 3 ]" 2
176 1 5 LEU MD1 1 43 TRP HZ2 4.000 . 5.500 5.312 5.082 5.515 0.015 13 0 "[ . 1 . 2 . 3 ]" 2
177 1 30 PHE H 1 43 TRP HH2 4.000 . 6.000 5.835 5.535 6.038 0.038 25 0 "[ . 1 . 2 . 3 ]" 2
178 1 31 LYS H 1 43 TRP HH2 4.000 . 5.000 4.365 3.917 4.674 . 0 0 "[ . 1 . 2 . 3 ]" 2
179 1 31 LYS HA 1 43 TRP HH2 3.000 . 3.300 2.905 2.431 3.292 . 0 0 "[ . 1 . 2 . 3 ]" 2
180 1 31 LYS HA 1 43 TRP HZ2 3.000 . 3.300 3.006 2.565 3.310 0.010 25 0 "[ . 1 . 2 . 3 ]" 2
181 1 31 LYS QB 1 43 TRP HE3 4.000 . 6.000 5.646 5.031 6.109 0.109 27 0 "[ . 1 . 2 . 3 ]" 2
182 1 31 LYS QB 1 43 TRP HH2 4.000 . 6.000 4.665 4.223 4.919 . 0 0 "[ . 1 . 2 . 3 ]" 2
183 1 31 LYS QB 1 43 TRP HZ2 4.000 . 6.000 4.679 4.186 5.042 . 0 0 "[ . 1 . 2 . 3 ]" 2
184 1 31 LYS HA 1 43 TRP HE1 4.000 . 6.000 4.975 4.709 5.197 . 0 0 "[ . 1 . 2 . 3 ]" 2
185 1 31 LYS QB 1 43 TRP HE1 4.000 . 6.000 5.594 4.949 5.946 . 0 0 "[ . 1 . 2 . 3 ]" 2
186 1 31 LYS QG 1 43 TRP HE1 4.000 . 6.000 4.452 3.658 5.500 . 0 0 "[ . 1 . 2 . 3 ]" 2
187 1 34 ALA MB 1 43 TRP HH2 2.500 . 2.700 2.099 2.040 2.262 . 0 0 "[ . 1 . 2 . 3 ]" 2
188 1 34 ALA MB 1 43 TRP HZ2 3.000 . 3.300 2.079 2.015 2.180 . 0 0 "[ . 1 . 2 . 3 ]" 2
189 1 34 ALA MB 1 43 TRP HZ3 4.000 . 5.000 4.125 4.013 4.396 . 0 0 "[ . 1 . 2 . 3 ]" 2
190 1 43 TRP HZ3 1 52 PHE QD 4.000 . 5.000 4.237 4.019 4.391 . 0 0 "[ . 1 . 2 . 3 ]" 2
191 1 43 TRP HE3 1 52 PHE QD 3.000 . 3.300 3.210 3.008 3.307 0.007 28 0 "[ . 1 . 2 . 3 ]" 2
192 1 43 TRP HE3 1 52 PHE QE 4.000 . 5.000 4.975 4.651 5.062 0.062 3 0 "[ . 1 . 2 . 3 ]" 2
193 1 43 TRP HE3 1 52 PHE HA 4.000 . 6.000 5.132 4.960 5.373 . 0 0 "[ . 1 . 2 . 3 ]" 2
194 1 43 TRP HE3 1 52 PHE QB 4.000 . 5.000 3.282 3.096 3.526 . 0 0 "[ . 1 . 2 . 3 ]" 2
195 1 43 TRP HE3 1 53 THR H 4.000 . 5.000 4.578 4.356 4.861 . 0 0 "[ . 1 . 2 . 3 ]" 2
196 1 43 TRP HZ2 1 54 VAL HB 4.000 . 5.000 4.473 4.227 4.715 . 0 0 "[ . 1 . 2 . 3 ]" 2
197 1 43 TRP HE3 1 54 VAL HB 4.000 . 5.000 3.697 3.417 3.944 . 0 0 "[ . 1 . 2 . 3 ]" 2
198 1 43 TRP HE3 1 54 VAL HA 4.000 . 5.000 4.750 4.564 4.964 . 0 0 "[ . 1 . 2 . 3 ]" 2
199 1 43 TRP HE1 1 54 VAL MG1 4.000 . 5.500 5.179 4.943 5.495 . 0 0 "[ . 1 . 2 . 3 ]" 2
200 1 43 TRP HE1 1 54 VAL MG2 3.000 . 3.800 2.985 2.752 3.204 . 0 0 "[ . 1 . 2 . 3 ]" 2
201 1 43 TRP HZ2 1 54 VAL MG2 3.000 . 3.800 2.995 2.787 3.363 . 0 0 "[ . 1 . 2 . 3 ]" 2
202 1 43 TRP HZ2 1 54 VAL MG1 4.000 . 5.500 4.180 3.872 4.497 . 0 0 "[ . 1 . 2 . 3 ]" 2
203 1 43 TRP HE3 1 54 VAL MG2 3.000 . 3.800 3.851 3.766 3.941 0.141 1 0 "[ . 1 . 2 . 3 ]" 2
204 1 43 TRP HE3 1 54 VAL MG1 4.000 . 5.500 5.093 4.840 5.307 . 0 0 "[ . 1 . 2 . 3 ]" 2
205 1 43 TRP HH2 1 54 VAL MG2 4.000 . 5.500 3.910 3.798 4.214 . 0 0 "[ . 1 . 2 . 3 ]" 2
206 1 43 TRP HH2 1 54 VAL MG1 4.000 . 5.500 4.004 3.700 4.308 . 0 0 "[ . 1 . 2 . 3 ]" 2
207 1 43 TRP HZ3 1 54 VAL MG2 4.000 . 5.500 4.342 4.251 4.488 . 0 0 "[ . 1 . 2 . 3 ]" 2
208 1 43 TRP HZ3 1 54 VAL MG1 4.000 . 5.500 4.530 4.205 4.826 . 0 0 "[ . 1 . 2 . 3 ]" 2
209 1 23 ALA MB 1 45 TYR QE 4.000 . 5.500 3.014 2.737 3.358 . 0 0 "[ . 1 . 2 . 3 ]" 2
210 1 26 ALA H 1 45 TYR QE 4.000 . 7.000 6.818 6.484 7.011 0.011 6 0 "[ . 1 . 2 . 3 ]" 2
211 1 45 TYR QE 1 51 THR H 4.000 . 5.000 3.737 3.322 4.224 . 0 0 "[ . 1 . 2 . 3 ]" 2
212 1 45 TYR QE 1 52 PHE QD 4.000 . 5.000 3.518 3.164 3.822 . 0 0 "[ . 1 . 2 . 3 ]" 2
213 1 45 TYR QE 1 52 PHE QE 3.000 . 3.300 2.782 2.510 3.014 . 0 0 "[ . 1 . 2 . 3 ]" 2
214 1 45 TYR QE 1 52 PHE HZ 4.000 . 5.000 3.670 3.370 4.046 . 0 0 "[ . 1 . 2 . 3 ]" 2
215 1 45 TYR QD 1 52 PHE QD 4.000 . 5.000 2.983 2.933 3.088 . 0 0 "[ . 1 . 2 . 3 ]" 2
216 1 45 TYR QD 1 52 PHE QE 3.000 . 3.300 3.098 2.939 3.299 . 0 0 "[ . 1 . 2 . 3 ]" 2
217 1 45 TYR QD 1 52 PHE HA 3.000 . 3.300 2.802 2.390 3.104 . 0 0 "[ . 1 . 2 . 3 ]" 2
218 1 5 LEU QB 1 52 PHE QD 4.000 . 6.000 4.363 4.101 4.623 . 0 0 "[ . 1 . 2 . 3 ]" 2
219 1 5 LEU MD1 1 52 PHE QD 4.000 . 5.500 3.993 3.898 4.157 . 0 0 "[ . 1 . 2 . 3 ]" 2
220 1 23 ALA MB 1 52 PHE QE 4.000 . 5.500 3.267 3.014 3.509 . 0 0 "[ . 1 . 2 . 3 ]" 2
221 1 23 ALA MB 1 52 PHE HZ 3.000 . 3.800 2.336 2.287 2.539 . 0 0 "[ . 1 . 2 . 3 ]" 2
222 1 23 ALA HA 1 52 PHE HZ 4.000 . 5.000 3.193 2.907 3.443 . 0 0 "[ . 1 . 2 . 3 ]" 2
223 1 26 ALA MB 1 52 PHE QD 4.000 . 5.500 3.244 3.044 3.375 . 0 0 "[ . 1 . 2 . 3 ]" 2
224 1 26 ALA MB 1 52 PHE QE 3.000 . 3.800 2.162 2.077 2.229 . 0 0 "[ . 1 . 2 . 3 ]" 2
225 1 26 ALA MB 1 52 PHE HZ 4.000 . 6.500 2.573 2.350 3.022 . 0 0 "[ . 1 . 2 . 3 ]" 2
226 1 27 GLU H 1 52 PHE QE 4.000 . 5.000 4.154 4.073 4.238 . 0 0 "[ . 1 . 2 . 3 ]" 2
227 1 27 GLU H 1 52 PHE HZ 3.000 . 3.500 3.598 3.534 3.659 0.159 6 0 "[ . 1 . 2 . 3 ]" 2
228 1 27 GLU QG 1 52 PHE QE 3.000 . 3.300 2.280 2.193 2.482 . 0 0 "[ . 1 . 2 . 3 ]" 2
229 1 27 GLU QG 1 52 PHE HZ 3.000 . 3.300 2.631 2.447 2.837 . 0 0 "[ . 1 . 2 . 3 ]" 2
230 1 27 GLU HA 1 52 PHE HZ 4.000 . 6.000 4.466 4.282 4.626 . 0 0 "[ . 1 . 2 . 3 ]" 2
231 1 30 PHE QB 1 52 PHE QD 4.000 . 5.000 4.408 4.273 4.563 . 0 0 "[ . 1 . 2 . 3 ]" 2
232 1 30 PHE HZ 1 52 PHE QD 4.000 . 6.000 4.554 4.112 5.040 . 0 0 "[ . 1 . 2 . 3 ]" 2
233 1 44 THR H 1 52 PHE QD 4.000 . 5.000 4.411 4.165 4.620 . 0 0 "[ . 1 . 2 . 3 ]" 2
234 1 45 TYR QB 1 52 PHE QD 4.000 . 5.000 2.708 2.497 2.999 . 0 0 "[ . 1 . 2 . 3 ]" 2
235 1 45 TYR QB 1 52 PHE QE 3.000 . 3.300 2.520 2.380 2.798 . 0 0 "[ . 1 . 2 . 3 ]" 2
236 1 45 TYR HA 1 52 PHE QD 4.000 . 5.000 3.576 3.324 3.905 . 0 0 "[ . 1 . 2 . 3 ]" 2
237 1 6 ILE MD 1 53 THR HA 4.000 . 5.500 4.042 3.324 5.051 . 0 0 "[ . 1 . 2 . 3 ]" 2
238 1 6 ILE HB 1 53 THR HA 3.000 . 3.300 2.829 2.615 3.144 . 0 0 "[ . 1 . 2 . 3 ]" 2
239 1 8 ASN QD 1 55 THR MG 3.000 . 4.000 3.226 1.900 4.033 0.033 13 0 "[ . 1 . 2 . 3 ]" 2
240 1 8 ASN QD 1 55 THR H 4.000 . 6.000 5.638 5.038 6.041 0.041 15 0 "[ . 1 . 2 . 3 ]" 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 168
_Distance_constraint_stats_list.Viol_count 51
_Distance_constraint_stats_list.Viol_total 85.628
_Distance_constraint_stats_list.Viol_max 0.486
_Distance_constraint_stats_list.Viol_rms 0.0099
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0005
_Distance_constraint_stats_list.Viol_average_violations_only 0.0525
_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 MET 0.197 0.105 18 0 "[ . 1 . 2 . 3 ]"
1 2 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 3 TYR 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 4 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 5 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 6 ILE 0.933 0.486 24 0 "[ . 1 . 2 . 3 ]"
1 7 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 8 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 9 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 10 LYS 0.002 0.002 25 0 "[ . 1 . 2 . 3 ]"
1 11 THR 0.321 0.072 12 0 "[ . 1 . 2 . 3 ]"
1 12 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 13 LYS 0.156 0.112 5 0 "[ . 1 . 2 . 3 ]"
1 15 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 16 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 17 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 18 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 19 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 20 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 21 VAL 0.817 0.057 9 0 "[ . 1 . 2 . 3 ]"
1 22 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 23 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 24 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 25 THR 0.004 0.004 14 0 "[ . 1 . 2 . 3 ]"
1 26 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 27 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 28 LYS 0.025 0.016 21 0 "[ . 1 . 2 . 3 ]"
1 29 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 30 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 31 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 32 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 33 TYR 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 34 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 35 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 36 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 37 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 38 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 39 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 40 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 41 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 42 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 43 TRP 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 44 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 45 TYR 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 46 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 47 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 48 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 49 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 50 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 51 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 52 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 53 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 54 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 55 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 56 GLU 0.220 0.081 14 0 "[ . 1 . 2 . 3 ]"
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 52 PHE HA 1 52 PHE QD 3.000 . 3.300 2.909 2.850 2.971 . 0 0 "[ . 1 . 2 . 3 ]" 3
2 1 2 THR H 1 2 THR HA 3.000 . 3.500 2.965 2.957 2.974 . 0 0 "[ . 1 . 2 . 3 ]" 3
3 1 3 TYR H 1 3 TYR HA 3.000 . 3.500 3.007 3.004 3.010 . 0 0 "[ . 1 . 2 . 3 ]" 3
4 1 5 LEU H 1 5 LEU HA 3.000 . 3.500 3.000 2.992 3.004 . 0 0 "[ . 1 . 2 . 3 ]" 3
5 1 6 ILE H 1 6 ILE HA 3.000 . 3.500 2.997 2.989 3.002 . 0 0 "[ . 1 . 2 . 3 ]" 3
6 1 7 LEU H 1 7 LEU HA 3.000 . 3.500 2.986 2.979 2.993 . 0 0 "[ . 1 . 2 . 3 ]" 3
7 1 8 ASN H 1 8 ASN HA 3.000 . 3.500 3.002 2.997 3.009 . 0 0 "[ . 1 . 2 . 3 ]" 3
8 1 12 LEU H 1 12 LEU HA 3.000 . 3.500 2.987 2.975 3.000 . 0 0 "[ . 1 . 2 . 3 ]" 3
9 1 13 LYS H 1 13 LYS HA 3.000 . 3.500 2.995 2.984 3.003 . 0 0 "[ . 1 . 2 . 3 ]" 3
10 1 15 GLU H 1 15 GLU HA 3.000 . 3.500 2.965 2.951 2.983 . 0 0 "[ . 1 . 2 . 3 ]" 3
11 1 16 THR H 1 16 THR HA 3.000 . 3.500 2.950 2.936 2.959 . 0 0 "[ . 1 . 2 . 3 ]" 3
12 1 17 THR H 1 17 THR HA 3.000 . 3.500 2.989 2.982 2.997 . 0 0 "[ . 1 . 2 . 3 ]" 3
13 1 18 THR H 1 18 THR HA 3.000 . 3.500 2.940 2.927 2.948 . 0 0 "[ . 1 . 2 . 3 ]" 3
14 1 20 ALA H 1 20 ALA HA 3.000 . 3.500 2.963 2.952 2.970 . 0 0 "[ . 1 . 2 . 3 ]" 3
15 1 21 VAL H 1 21 VAL HA 3.000 . 3.500 2.841 2.831 2.851 . 0 0 "[ . 1 . 2 . 3 ]" 3
16 1 22 ASP H 1 22 ASP HA 3.000 . 3.500 2.934 2.923 2.942 . 0 0 "[ . 1 . 2 . 3 ]" 3
17 1 23 ALA H 1 23 ALA HA 3.000 . 3.500 2.872 2.865 2.881 . 0 0 "[ . 1 . 2 . 3 ]" 3
18 1 24 ALA H 1 24 ALA HA 3.000 . 3.500 2.806 2.798 2.830 . 0 0 "[ . 1 . 2 . 3 ]" 3
19 1 25 THR H 1 25 THR HA 3.000 . 3.500 2.888 2.869 2.908 . 0 0 "[ . 1 . 2 . 3 ]" 3
20 1 26 ALA H 1 26 ALA HA 3.000 . 3.500 2.848 2.837 2.859 . 0 0 "[ . 1 . 2 . 3 ]" 3
21 1 27 GLU H 1 27 GLU HA 2.500 . 2.900 2.825 2.783 2.844 . 0 0 "[ . 1 . 2 . 3 ]" 3
22 1 28 LYS H 1 28 LYS HA 3.000 . 3.500 2.869 2.850 2.885 . 0 0 "[ . 1 . 2 . 3 ]" 3
23 1 29 VAL H 1 29 VAL HA 3.000 . 3.500 2.873 2.866 2.880 . 0 0 "[ . 1 . 2 . 3 ]" 3
24 1 30 PHE H 1 30 PHE HA 3.000 . 3.500 2.853 2.840 2.869 . 0 0 "[ . 1 . 2 . 3 ]" 3
25 1 31 LYS H 1 31 LYS HA 3.000 . 3.500 2.851 2.835 2.869 . 0 0 "[ . 1 . 2 . 3 ]" 3
26 1 32 GLN H 1 32 GLN HA 3.000 . 3.500 2.886 2.874 2.898 . 0 0 "[ . 1 . 2 . 3 ]" 3
27 1 33 TYR H 1 33 TYR HA 2.500 . 2.900 2.843 2.838 2.849 . 0 0 "[ . 1 . 2 . 3 ]" 3
28 1 34 ALA H 1 34 ALA HA 2.500 . 2.900 2.858 2.845 2.874 . 0 0 "[ . 1 . 2 . 3 ]" 3
29 1 35 ASN H 1 35 ASN HA 3.000 . 3.500 2.849 2.842 2.862 . 0 0 "[ . 1 . 2 . 3 ]" 3
30 1 36 ASP H 1 36 ASP HA 2.500 . 2.900 2.852 2.840 2.873 . 0 0 "[ . 1 . 2 . 3 ]" 3
31 1 37 ASN H 1 37 ASN HA 3.000 . 3.500 2.975 2.964 2.982 . 0 0 "[ . 1 . 2 . 3 ]" 3
32 1 39 VAL H 1 39 VAL HA 3.000 . 3.500 3.001 2.993 3.009 . 0 0 "[ . 1 . 2 . 3 ]" 3
33 1 40 ASP H 1 40 ASP HA 3.000 . 3.500 2.982 2.950 3.008 . 0 0 "[ . 1 . 2 . 3 ]" 3
34 1 42 GLU H 1 42 GLU HA 3.000 . 3.500 2.947 2.915 2.973 . 0 0 "[ . 1 . 2 . 3 ]" 3
35 1 43 TRP H 1 43 TRP HA 3.000 . 3.500 2.985 2.975 2.998 . 0 0 "[ . 1 . 2 . 3 ]" 3
36 1 44 THR H 1 44 THR HA 3.000 . 3.500 2.993 2.984 2.999 . 0 0 "[ . 1 . 2 . 3 ]" 3
37 1 46 ASP H 1 46 ASP HA 3.000 . 3.500 3.006 3.003 3.010 . 0 0 "[ . 1 . 2 . 3 ]" 3
38 1 47 ASP H 1 47 ASP HA 3.000 . 3.500 2.873 2.861 2.883 . 0 0 "[ . 1 . 2 . 3 ]" 3
39 1 50 LYS H 1 50 LYS HA 2.500 . 2.900 2.363 2.351 2.372 . 0 0 "[ . 1 . 2 . 3 ]" 3
40 1 51 THR H 1 51 THR HA 3.000 . 3.500 3.009 3.006 3.013 . 0 0 "[ . 1 . 2 . 3 ]" 3
41 1 53 THR H 1 53 THR HA 3.000 . 3.500 2.996 2.990 3.004 . 0 0 "[ . 1 . 2 . 3 ]" 3
42 1 54 VAL H 1 54 VAL HA 3.000 . 3.500 3.009 3.001 3.012 . 0 0 "[ . 1 . 2 . 3 ]" 3
43 1 55 THR H 1 55 THR HA 3.000 . 3.500 3.011 3.005 3.016 . 0 0 "[ . 1 . 2 . 3 ]" 3
44 1 56 GLU H 1 56 GLU HA 3.000 . 3.500 2.947 2.923 2.977 . 0 0 "[ . 1 . 2 . 3 ]" 3
45 1 9 GLY H 1 9 GLY QA 2.500 . 2.900 2.268 2.250 2.276 . 0 0 "[ . 1 . 2 . 3 ]" 3
46 1 38 GLY H 1 38 GLY QA 2.500 . 2.900 2.241 2.232 2.251 . 0 0 "[ . 1 . 2 . 3 ]" 3
47 1 41 GLY H 1 41 GLY QA 2.500 . 2.900 2.416 2.211 2.537 . 0 0 "[ . 1 . 2 . 3 ]" 3
48 1 2 THR H 1 2 THR HB 2.500 . 2.900 2.585 2.486 2.678 . 0 0 "[ . 1 . 2 . 3 ]" 3
49 1 3 TYR H 1 3 TYR QB 3.000 . 3.500 2.498 2.456 2.571 . 0 0 "[ . 1 . 2 . 3 ]" 3
50 1 4 LYS H 1 4 LYS QB 2.500 . 2.900 2.448 2.413 2.506 . 0 0 "[ . 1 . 2 . 3 ]" 3
51 1 5 LEU H 1 5 LEU QB 2.500 . 2.900 2.457 2.426 2.480 . 0 0 "[ . 1 . 2 . 3 ]" 3
52 1 6 ILE H 1 6 ILE HB 3.000 . 3.500 2.528 2.441 2.636 . 0 0 "[ . 1 . 2 . 3 ]" 3
53 1 7 LEU H 1 7 LEU QB 2.500 . 2.900 2.394 2.344 2.450 . 0 0 "[ . 1 . 2 . 3 ]" 3
54 1 8 ASN H 1 8 ASN QB 3.000 . 3.500 2.491 2.358 2.555 . 0 0 "[ . 1 . 2 . 3 ]" 3
55 1 10 LYS H 1 10 LYS QB 3.000 . 3.500 2.411 2.167 2.582 . 0 0 "[ . 1 . 2 . 3 ]" 3
56 1 11 THR H 1 11 THR HB 4.000 . 5.000 3.428 2.518 3.838 . 0 0 "[ . 1 . 2 . 3 ]" 3
57 1 12 LEU H 1 12 LEU QB 3.000 . 3.500 2.365 2.321 2.398 . 0 0 "[ . 1 . 2 . 3 ]" 3
58 1 13 LYS H 1 13 LYS QB 2.500 . 2.900 2.626 2.573 2.676 . 0 0 "[ . 1 . 2 . 3 ]" 3
59 1 15 GLU H 1 15 GLU QB 3.000 . 3.500 3.073 2.652 3.267 . 0 0 "[ . 1 . 2 . 3 ]" 3
60 1 16 THR H 1 16 THR HB 3.000 . 3.500 3.432 3.362 3.489 . 0 0 "[ . 1 . 2 . 3 ]" 3
61 1 17 THR H 1 17 THR HB 4.000 . 5.000 3.876 3.820 3.914 . 0 0 "[ . 1 . 2 . 3 ]" 3
62 1 18 THR H 1 18 THR HB 4.000 . 5.000 3.274 3.234 3.329 . 0 0 "[ . 1 . 2 . 3 ]" 3
63 1 20 ALA H 1 20 ALA MB 3.000 . 3.500 2.675 2.583 2.725 . 0 0 "[ . 1 . 2 . 3 ]" 3
64 1 21 VAL H 1 21 VAL HB 4.000 . 5.000 3.614 3.595 3.627 . 0 0 "[ . 1 . 2 . 3 ]" 3
65 1 22 ASP H 1 22 ASP QB 3.000 . 3.500 3.220 3.183 3.290 . 0 0 "[ . 1 . 2 . 3 ]" 3
66 1 23 ALA H 1 23 ALA MB 3.000 . 3.500 2.221 2.148 2.258 . 0 0 "[ . 1 . 2 . 3 ]" 3
67 1 24 ALA H 1 24 ALA MB 3.000 . 3.500 2.221 2.161 2.257 . 0 0 "[ . 1 . 2 . 3 ]" 3
68 1 25 THR H 1 25 THR HB 4.000 . 5.000 3.168 2.447 3.621 . 0 0 "[ . 1 . 2 . 3 ]" 3
69 1 26 ALA H 1 26 ALA MB 3.000 . 3.500 2.184 2.035 2.226 . 0 0 "[ . 1 . 2 . 3 ]" 3
70 1 27 GLU H 1 27 GLU QB 2.500 . 2.900 2.417 2.388 2.496 . 0 0 "[ . 1 . 2 . 3 ]" 3
71 1 28 LYS H 1 28 LYS QB 3.000 . 3.500 2.374 2.231 2.631 . 0 0 "[ . 1 . 2 . 3 ]" 3
72 1 29 VAL H 1 29 VAL HB 2.500 . 2.900 2.403 2.372 2.463 . 0 0 "[ . 1 . 2 . 3 ]" 3
73 1 30 PHE H 1 30 PHE QB 2.500 . 2.900 2.375 2.336 2.427 . 0 0 "[ . 1 . 2 . 3 ]" 3
74 1 31 LYS H 1 31 LYS QB 2.500 . 2.900 2.297 2.228 2.405 . 0 0 "[ . 1 . 2 . 3 ]" 3
75 1 32 GLN H 1 32 GLN QB 2.500 . 2.900 2.297 2.228 2.388 . 0 0 "[ . 1 . 2 . 3 ]" 3
76 1 33 TYR H 1 33 TYR QB 3.000 . 3.500 2.268 2.250 2.284 . 0 0 "[ . 1 . 2 . 3 ]" 3
77 1 34 ALA H 1 34 ALA MB 2.500 . 2.900 2.160 2.095 2.216 . 0 0 "[ . 1 . 2 . 3 ]" 3
78 1 35 ASN H 1 35 ASN QB 3.000 . 3.500 2.328 2.082 2.460 . 0 0 "[ . 1 . 2 . 3 ]" 3
79 1 36 ASP H 1 36 ASP QB 2.500 . 2.900 2.376 2.349 2.400 . 0 0 "[ . 1 . 2 . 3 ]" 3
80 1 37 ASN H 1 37 ASN QB 2.500 . 2.900 2.385 2.329 2.460 . 0 0 "[ . 1 . 2 . 3 ]" 3
81 1 39 VAL H 1 39 VAL HB 2.500 . 2.900 2.539 2.455 2.631 . 0 0 "[ . 1 . 2 . 3 ]" 3
82 1 40 ASP H 1 40 ASP QB 3.000 . 3.500 2.728 2.438 3.233 . 0 0 "[ . 1 . 2 . 3 ]" 3
83 1 42 GLU H 1 42 GLU QB 2.500 . 2.900 2.381 2.329 2.458 . 0 0 "[ . 1 . 2 . 3 ]" 3
84 1 43 TRP H 1 43 TRP QB 2.500 . 2.900 2.337 2.307 2.367 . 0 0 "[ . 1 . 2 . 3 ]" 3
85 1 44 THR H 1 44 THR HB 4.000 . 5.000 3.871 3.783 3.916 . 0 0 "[ . 1 . 2 . 3 ]" 3
86 1 45 TYR H 1 45 TYR QB 2.500 . 2.900 2.553 2.506 2.594 . 0 0 "[ . 1 . 2 . 3 ]" 3
87 1 46 ASP H 1 46 ASP QB 3.000 . 3.500 2.445 2.408 2.489 . 0 0 "[ . 1 . 2 . 3 ]" 3
88 1 47 ASP H 1 47 ASP QB 3.000 . 3.500 2.265 2.252 2.276 . 0 0 "[ . 1 . 2 . 3 ]" 3
89 1 48 ALA H 1 48 ALA MB 3.000 . 3.500 2.234 2.182 2.252 . 0 0 "[ . 1 . 2 . 3 ]" 3
90 1 51 THR H 1 51 THR HB 2.500 . 2.900 2.599 2.576 2.622 . 0 0 "[ . 1 . 2 . 3 ]" 3
91 1 52 PHE H 1 52 PHE QB 2.500 . 2.900 2.322 2.283 2.367 . 0 0 "[ . 1 . 2 . 3 ]" 3
92 1 53 THR H 1 53 THR HB 2.500 . 2.900 2.695 2.643 2.739 . 0 0 "[ . 1 . 2 . 3 ]" 3
93 1 54 VAL H 1 54 VAL HB 3.000 . 3.500 2.906 2.849 2.991 . 0 0 "[ . 1 . 2 . 3 ]" 3
94 1 55 THR H 1 55 THR HB 2.500 . 2.900 2.630 2.565 2.752 . 0 0 "[ . 1 . 2 . 3 ]" 3
95 1 56 GLU H 1 56 GLU QB 3.000 . 3.500 2.340 2.150 2.420 . 0 0 "[ . 1 . 2 . 3 ]" 3
96 1 21 VAL H 1 21 VAL QG 3.000 . 4.500 1.777 1.743 1.837 0.057 9 0 "[ . 1 . 2 . 3 ]" 3
97 1 21 VAL HA 1 21 VAL QG 3.000 . 4.300 2.264 2.194 2.363 . 0 0 "[ . 1 . 2 . 3 ]" 3
98 1 29 VAL HA 1 29 VAL MG2 2.500 . 3.200 2.296 2.242 2.366 . 0 0 "[ . 1 . 2 . 3 ]" 3
99 1 29 VAL HA 1 29 VAL MG1 3.000 . 3.800 2.414 2.380 2.527 . 0 0 "[ . 1 . 2 . 3 ]" 3
100 1 29 VAL H 1 29 VAL MG2 2.500 . 3.400 2.236 2.063 2.303 . 0 0 "[ . 1 . 2 . 3 ]" 3
101 1 29 VAL H 1 29 VAL MG1 4.000 . 5.500 3.753 3.740 3.785 . 0 0 "[ . 1 . 2 . 3 ]" 3
102 1 39 VAL HA 1 39 VAL MG1 2.500 . 3.400 2.324 2.276 2.420 . 0 0 "[ . 1 . 2 . 3 ]" 3
103 1 39 VAL HA 1 39 VAL MG2 3.000 . 3.800 2.370 2.284 2.436 . 0 0 "[ . 1 . 2 . 3 ]" 3
104 1 39 VAL H 1 39 VAL MG2 2.500 . 3.400 2.612 2.494 2.729 . 0 0 "[ . 1 . 2 . 3 ]" 3
105 1 39 VAL H 1 39 VAL MG1 4.000 . 5.500 3.827 3.784 3.885 . 0 0 "[ . 1 . 2 . 3 ]" 3
106 1 54 VAL HA 1 54 VAL MG2 2.500 . 3.200 2.262 2.213 2.312 . 0 0 "[ . 1 . 2 . 3 ]" 3
107 1 54 VAL H 1 54 VAL MG1 2.500 . 3.400 2.264 2.129 2.374 . 0 0 "[ . 1 . 2 . 3 ]" 3
108 1 54 VAL H 1 54 VAL MG2 4.000 . 5.500 3.940 3.920 3.966 . 0 0 "[ . 1 . 2 . 3 ]" 3
109 1 2 THR HA 1 2 THR MG 3.000 . 3.800 2.298 2.241 2.367 . 0 0 "[ . 1 . 2 . 3 ]" 3
110 1 11 THR HA 1 11 THR MG 2.500 . 3.200 2.605 2.232 3.203 0.003 3 0 "[ . 1 . 2 . 3 ]" 3
111 1 16 THR HA 1 16 THR MG 3.000 . 3.800 3.199 3.193 3.205 . 0 0 "[ . 1 . 2 . 3 ]" 3
112 1 17 THR HA 1 17 THR MG 2.500 . 3.000 2.402 2.278 2.487 . 0 0 "[ . 1 . 2 . 3 ]" 3
113 1 25 THR HA 1 25 THR MG 2.500 . 3.200 2.340 2.189 3.182 . 0 0 "[ . 1 . 2 . 3 ]" 3
114 1 44 THR HA 1 44 THR MG 2.500 . 3.200 2.399 2.258 2.521 . 0 0 "[ . 1 . 2 . 3 ]" 3
115 1 51 THR HA 1 51 THR MG 2.500 . 3.200 2.315 2.278 2.342 . 0 0 "[ . 1 . 2 . 3 ]" 3
116 1 53 THR HA 1 53 THR MG 2.500 . 3.200 2.316 2.269 2.371 . 0 0 "[ . 1 . 2 . 3 ]" 3
117 1 2 THR H 1 2 THR MG 4.000 . 5.500 3.815 3.794 3.834 . 0 0 "[ . 1 . 2 . 3 ]" 3
118 1 11 THR H 1 11 THR MG 3.000 . 3.800 2.671 1.862 3.872 0.072 12 0 "[ . 1 . 2 . 3 ]" 3
119 1 16 THR H 1 16 THR MG 3.000 . 3.800 2.296 2.213 2.377 . 0 0 "[ . 1 . 2 . 3 ]" 3
120 1 17 THR H 1 17 THR MG 3.000 . 3.800 2.842 2.631 3.061 . 0 0 "[ . 1 . 2 . 3 ]" 3
121 1 18 THR H 1 18 THR MG 3.000 . 3.800 2.456 2.367 2.574 . 0 0 "[ . 1 . 2 . 3 ]" 3
122 1 25 THR H 1 25 THR MG 4.000 . 5.500 2.910 1.796 3.769 0.004 14 0 "[ . 1 . 2 . 3 ]" 3
123 1 44 THR H 1 44 THR MG 3.000 . 3.800 2.835 2.601 3.139 . 0 0 "[ . 1 . 2 . 3 ]" 3
124 1 49 THR H 1 49 THR MG 3.000 . 3.800 2.496 2.243 2.733 . 0 0 "[ . 1 . 2 . 3 ]" 3
125 1 51 THR H 1 51 THR MG 4.000 . 5.500 3.855 3.840 3.867 . 0 0 "[ . 1 . 2 . 3 ]" 3
126 1 53 THR H 1 53 THR MG 4.000 . 5.500 3.879 3.840 3.908 . 0 0 "[ . 1 . 2 . 3 ]" 3
127 1 55 THR H 1 55 THR MG 4.000 . 5.500 3.868 3.830 3.920 . 0 0 "[ . 1 . 2 . 3 ]" 3
128 1 15 GLU H 1 15 GLU QG 4.000 . 5.000 2.641 2.129 4.104 . 0 0 "[ . 1 . 2 . 3 ]" 3
129 1 19 GLU H 1 19 GLU QG 4.000 . 6.000 3.412 2.601 4.166 . 0 0 "[ . 1 . 2 . 3 ]" 3
130 1 27 GLU HA 1 27 GLU QG 2.500 . 2.900 2.324 2.295 2.375 . 0 0 "[ . 1 . 2 . 3 ]" 3
131 1 27 GLU H 1 27 GLU QG 4.000 . 5.000 2.171 2.073 2.250 . 0 0 "[ . 1 . 2 . 3 ]" 3
132 1 42 GLU H 1 42 GLU QG 4.000 . 6.000 2.632 2.177 3.372 . 0 0 "[ . 1 . 2 . 3 ]" 3
133 1 56 GLU H 1 56 GLU QG 4.000 . 5.000 3.151 2.248 4.078 . 0 0 "[ . 1 . 2 . 3 ]" 3
134 1 56 GLU HA 1 56 GLU QG 2.500 . 2.700 2.370 2.243 2.781 0.081 14 0 "[ . 1 . 2 . 3 ]" 3
135 1 1 MET HA 1 1 MET QG 3.000 . 3.300 2.559 2.282 3.405 0.105 18 0 "[ . 1 . 2 . 3 ]" 3
136 1 5 LEU HA 1 5 LEU MD2 4.000 . 6.500 3.831 3.776 3.897 . 0 0 "[ . 1 . 2 . 3 ]" 3
137 1 5 LEU HA 1 5 LEU MD1 2.500 . 3.200 2.144 2.089 2.198 . 0 0 "[ . 1 . 2 . 3 ]" 3
138 1 5 LEU HA 1 5 LEU HG 4.000 . 5.000 3.219 3.123 3.285 . 0 0 "[ . 1 . 2 . 3 ]" 3
139 1 5 LEU H 1 5 LEU MD2 4.000 . 6.500 4.495 4.417 4.560 . 0 0 "[ . 1 . 2 . 3 ]" 3
140 1 5 LEU H 1 5 LEU MD1 4.000 . 5.500 4.318 4.276 4.406 . 0 0 "[ . 1 . 2 . 3 ]" 3
141 1 7 LEU HA 1 7 LEU HG 3.000 . 3.300 2.842 2.607 2.937 . 0 0 "[ . 1 . 2 . 3 ]" 3
142 1 7 LEU H 1 7 LEU HG 3.000 . 3.300 2.696 2.513 2.907 . 0 0 "[ . 1 . 2 . 3 ]" 3
143 1 7 LEU HA 1 7 LEU MD2 2.500 . 3.200 2.189 2.130 2.248 . 0 0 "[ . 1 . 2 . 3 ]" 3
144 1 7 LEU H 1 7 LEU MD1 3.000 . 3.900 3.634 3.425 3.769 . 0 0 "[ . 1 . 2 . 3 ]" 3
145 1 12 LEU HA 1 12 LEU MD1 3.000 . 3.800 2.156 2.081 2.254 . 0 0 "[ . 1 . 2 . 3 ]" 3
146 1 12 LEU HA 1 12 LEU MD2 4.000 . 6.500 3.828 3.778 3.871 . 0 0 "[ . 1 . 2 . 3 ]" 3
147 1 6 ILE H 1 6 ILE QG 3.000 . 3.300 2.590 2.328 3.303 0.003 8 0 "[ . 1 . 2 . 3 ]" 3
148 1 6 ILE H 1 6 ILE MG 4.000 . 5.500 3.815 3.769 3.850 . 0 0 "[ . 1 . 2 . 3 ]" 3
149 1 6 ILE HA 1 6 ILE MG 2.500 . 3.400 2.334 2.255 2.418 . 0 0 "[ . 1 . 2 . 3 ]" 3
150 1 6 ILE HA 1 6 ILE MD 4.000 2.800 5.500 3.746 2.314 3.873 0.486 24 0 "[ . 1 . 2 . 3 ]" 3
151 1 6 ILE HA 1 6 ILE QG 3.000 . 3.300 2.477 2.349 3.099 . 0 0 "[ . 1 . 2 . 3 ]" 3
152 1 6 ILE HB 1 6 ILE MD 3.000 . 3.800 2.354 2.230 3.256 . 0 0 "[ . 1 . 2 . 3 ]" 3
153 1 4 LYS HA 1 4 LYS QG 2.500 . 2.700 2.358 2.281 2.427 . 0 0 "[ . 1 . 2 . 3 ]" 3
154 1 10 LYS H 1 10 LYS QG 4.000 . 5.000 2.345 1.798 3.977 0.002 25 0 "[ . 1 . 2 . 3 ]" 3
155 1 10 LYS H 1 10 LYS QD 4.000 . 5.000 3.772 2.133 4.726 . 0 0 "[ . 1 . 2 . 3 ]" 3
156 1 13 LYS H 1 13 LYS QG 3.000 . 3.500 3.136 3.018 3.612 0.112 5 0 "[ . 1 . 2 . 3 ]" 3
157 1 13 LYS HA 1 13 LYS QG 2.500 . 2.700 2.303 2.252 2.341 . 0 0 "[ . 1 . 2 . 3 ]" 3
158 1 28 LYS H 1 28 LYS QG 4.000 . 5.000 2.621 1.884 4.029 . 0 0 "[ . 1 . 2 . 3 ]" 3
159 1 28 LYS HA 1 28 LYS QG 3.000 . 3.300 2.416 2.238 3.316 0.016 21 0 "[ . 1 . 2 . 3 ]" 3
160 1 31 LYS H 1 31 LYS QG 4.000 . 5.000 3.653 2.283 4.091 . 0 0 "[ . 1 . 2 . 3 ]" 3
161 1 31 LYS HA 1 31 LYS QG 3.000 . 3.300 2.426 2.221 2.968 . 0 0 "[ . 1 . 2 . 3 ]" 3
162 1 31 LYS HA 1 31 LYS QD 4.000 . 5.000 3.616 2.126 4.197 . 0 0 "[ . 1 . 2 . 3 ]" 3
163 1 50 LYS H 1 50 LYS QG 4.000 . 5.000 2.599 2.483 3.068 . 0 0 "[ . 1 . 2 . 3 ]" 3
164 1 50 LYS H 1 50 LYS QD 4.000 . 5.000 4.224 2.371 4.764 . 0 0 "[ . 1 . 2 . 3 ]" 3
165 1 50 LYS HA 1 50 LYS QG 3.000 . 3.300 2.439 2.267 2.997 . 0 0 "[ . 1 . 2 . 3 ]" 3
166 1 50 LYS HA 1 50 LYS QD 4.000 . 5.000 3.718 2.187 4.208 . 0 0 "[ . 1 . 2 . 3 ]" 3
167 1 32 GLN HA 1 32 GLN QE 4.000 . 6.000 4.352 2.365 4.891 . 0 0 "[ . 1 . 2 . 3 ]" 3
168 1 35 ASN HA 1 35 ASN QD 4.000 . 5.000 3.132 1.741 4.065 . 0 0 "[ . 1 . 2 . 3 ]" 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 32
_Distance_constraint_stats_list.Viol_count 31
_Distance_constraint_stats_list.Viol_total 42.870
_Distance_constraint_stats_list.Viol_max 0.099
_Distance_constraint_stats_list.Viol_rms 0.0088
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0013
_Distance_constraint_stats_list.Viol_average_violations_only 0.0432
_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 9 GLY 0.020 0.011 2 0 "[ . 1 . 2 . 3 ]"
1 12 LEU 0.020 0.011 2 0 "[ . 1 . 2 . 3 ]"
1 22 ASP 1.271 0.099 21 0 "[ . 1 . 2 . 3 ]"
1 23 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 25 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 26 ALA 1.271 0.099 21 0 "[ . 1 . 2 . 3 ]"
1 27 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 28 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 29 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 30 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 31 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 32 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 33 TYR 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 34 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 35 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 39 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 46 ASP 0.048 0.047 5 0 "[ . 1 . 2 . 3 ]"
1 48 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 50 LYS 0.047 0.047 5 0 "[ . 1 . 2 . 3 ]"
1 51 THR 0.001 0.001 21 0 "[ . 1 . 2 . 3 ]"
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 9 GLY N 1 12 LEU O 3.300 2.500 3.500 2.621 2.489 2.741 0.011 2 0 "[ . 1 . 2 . 3 ]" 4
2 1 46 ASP N 1 51 THR O 3.300 2.500 3.500 3.063 2.920 3.166 . 0 0 "[ . 1 . 2 . 3 ]" 4
3 1 46 ASP O 1 50 LYS N 3.300 2.500 3.500 2.616 2.453 2.740 0.047 5 0 "[ . 1 . 2 . 3 ]" 4
4 1 46 ASP O 1 51 THR N 3.300 2.500 3.500 3.259 3.157 3.352 . 0 0 "[ . 1 . 2 . 3 ]" 4
5 1 22 ASP O 1 26 ALA N 3.300 2.500 3.500 3.429 3.363 3.503 0.003 21 0 "[ . 1 . 2 . 3 ]" 4
6 1 23 ALA O 1 27 GLU N 3.300 2.500 3.500 3.036 2.932 3.137 . 0 0 "[ . 1 . 2 . 3 ]" 4
7 1 25 THR O 1 29 VAL N 3.300 2.500 3.500 2.988 2.840 3.176 . 0 0 "[ . 1 . 2 . 3 ]" 4
8 1 26 ALA O 1 30 PHE N 3.300 2.500 3.500 2.755 2.667 2.866 . 0 0 "[ . 1 . 2 . 3 ]" 4
9 1 27 GLU O 1 31 LYS N 3.300 2.500 3.500 2.993 2.788 3.177 . 0 0 "[ . 1 . 2 . 3 ]" 4
10 1 28 LYS O 1 32 GLN N 3.300 2.500 3.500 3.236 3.054 3.379 . 0 0 "[ . 1 . 2 . 3 ]" 4
11 1 29 VAL O 1 33 TYR N 3.300 2.500 3.500 2.957 2.848 3.064 . 0 0 "[ . 1 . 2 . 3 ]" 4
12 1 30 PHE O 1 34 ALA N 3.300 2.500 3.500 2.745 2.630 2.857 . 0 0 "[ . 1 . 2 . 3 ]" 4
13 1 31 LYS O 1 35 ASN N 3.300 2.500 3.500 2.931 2.738 3.139 . 0 0 "[ . 1 . 2 . 3 ]" 4
14 1 34 ALA O 1 39 VAL N 3.300 2.500 3.500 2.890 2.725 3.130 . 0 0 "[ . 1 . 2 . 3 ]" 4
15 1 22 ASP OD1 1 25 THR N 3.300 2.500 3.500 2.900 2.520 3.082 . 0 0 "[ . 1 . 2 . 3 ]" 4
16 1 9 GLY H 1 12 LEU O 2.300 . 2.500 1.845 1.729 2.032 . 0 0 "[ . 1 . 2 . 3 ]" 4
17 1 46 ASP H 1 51 THR O 2.300 . 2.500 2.132 1.960 2.250 . 0 0 "[ . 1 . 2 . 3 ]" 4
18 1 46 ASP O 1 50 LYS H 2.300 . 2.500 2.072 1.919 2.198 . 0 0 "[ . 1 . 2 . 3 ]" 4
19 1 46 ASP O 1 51 THR H 2.300 . 2.500 2.404 2.261 2.501 0.001 21 0 "[ . 1 . 2 . 3 ]" 4
20 1 22 ASP O 1 26 ALA H 2.300 . 2.500 2.536 2.451 2.599 0.099 21 0 "[ . 1 . 2 . 3 ]" 4
21 1 23 ALA O 1 27 GLU H 2.300 . 2.500 2.089 1.968 2.203 . 0 0 "[ . 1 . 2 . 3 ]" 4
22 1 25 THR O 1 29 VAL H 2.300 . 2.500 2.024 1.865 2.227 . 0 0 "[ . 1 . 2 . 3 ]" 4
23 1 26 ALA O 1 30 PHE H 2.300 . 2.500 1.815 1.728 1.931 . 0 0 "[ . 1 . 2 . 3 ]" 4
24 1 27 GLU O 1 31 LYS H 2.300 . 2.500 2.103 1.913 2.309 . 0 0 "[ . 1 . 2 . 3 ]" 4
25 1 28 LYS O 1 32 GLN H 2.300 . 2.500 2.315 2.128 2.465 . 0 0 "[ . 1 . 2 . 3 ]" 4
26 1 29 VAL O 1 33 TYR H 2.300 . 2.500 2.003 1.885 2.123 . 0 0 "[ . 1 . 2 . 3 ]" 4
27 1 30 PHE O 1 34 ALA H 2.300 . 2.500 1.778 1.659 1.904 . 0 0 "[ . 1 . 2 . 3 ]" 4
28 1 31 LYS O 1 35 ASN H 2.300 . 2.500 1.997 1.808 2.201 . 0 0 "[ . 1 . 2 . 3 ]" 4
29 1 34 ALA O 1 39 VAL H 2.300 . 2.500 1.938 1.768 2.202 . 0 0 "[ . 1 . 2 . 3 ]" 4
30 1 22 ASP OD1 1 25 THR H 2.300 . 2.500 2.073 1.632 2.280 . 0 0 "[ . 1 . 2 . 3 ]" 4
31 1 46 ASP OD1 1 48 ALA H 2.300 . 2.500 2.025 1.878 2.214 . 0 0 "[ . 1 . 2 . 3 ]" 4
32 1 46 ASP OD1 1 48 ALA N 3.300 2.500 3.500 2.722 2.599 2.909 . 0 0 "[ . 1 . 2 . 3 ]" 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 32
_Distance_constraint_stats_list.Viol_count 31
_Distance_constraint_stats_list.Viol_total 24.849
_Distance_constraint_stats_list.Viol_max 0.120
_Distance_constraint_stats_list.Viol_rms 0.0061
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0008
_Distance_constraint_stats_list.Viol_average_violations_only 0.0250
_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 MET 0.018 0.018 13 0 "[ . 1 . 2 . 3 ]"
1 3 TYR 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 4 LYS 0.226 0.120 18 0 "[ . 1 . 2 . 3 ]"
1 5 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 6 ILE 0.168 0.039 13 0 "[ . 1 . 2 . 3 ]"
1 7 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 8 ASN 0.365 0.066 19 0 "[ . 1 . 2 . 3 ]"
1 14 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 16 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 18 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 20 ALA 0.018 0.018 13 0 "[ . 1 . 2 . 3 ]"
1 42 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 44 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 50 LYS 0.226 0.120 18 0 "[ . 1 . 2 . 3 ]"
1 52 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 53 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 54 VAL 0.533 0.066 19 0 "[ . 1 . 2 . 3 ]"
1 55 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
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 MET O 1 20 ALA N 3.300 2.500 3.500 3.279 2.884 3.497 . 0 0 "[ . 1 . 2 . 3 ]" 5
2 1 3 TYR N 1 18 THR O 3.300 2.500 3.500 3.130 2.926 3.300 . 0 0 "[ . 1 . 2 . 3 ]" 5
3 1 3 TYR O 1 18 THR N 3.300 2.500 3.500 3.195 3.103 3.358 . 0 0 "[ . 1 . 2 . 3 ]" 5
4 1 5 LEU N 1 16 THR O 3.300 2.500 3.500 2.936 2.810 3.052 . 0 0 "[ . 1 . 2 . 3 ]" 5
5 1 5 LEU O 1 16 THR N 3.300 2.500 3.500 3.102 2.973 3.215 . 0 0 "[ . 1 . 2 . 3 ]" 5
6 1 7 LEU N 1 14 GLY O 3.300 2.500 3.500 2.777 2.606 2.918 . 0 0 "[ . 1 . 2 . 3 ]" 5
7 1 7 LEU O 1 14 GLY N 3.300 2.500 3.500 3.155 2.923 3.284 . 0 0 "[ . 1 . 2 . 3 ]" 5
8 1 4 LYS N 1 50 LYS O 3.300 2.500 3.500 3.304 3.020 3.548 0.048 18 0 "[ . 1 . 2 . 3 ]" 5
9 1 4 LYS O 1 52 PHE N 3.300 2.500 3.500 2.756 2.596 2.907 . 0 0 "[ . 1 . 2 . 3 ]" 5
10 1 6 ILE N 1 52 PHE O 3.300 2.500 3.500 3.084 2.933 3.319 . 0 0 "[ . 1 . 2 . 3 ]" 5
11 1 6 ILE O 1 54 VAL N 3.300 2.500 3.500 3.420 3.312 3.515 0.015 30 0 "[ . 1 . 2 . 3 ]" 5
12 1 8 ASN N 1 54 VAL O 3.300 2.500 3.500 3.410 3.270 3.509 0.009 30 0 "[ . 1 . 2 . 3 ]" 5
13 1 42 GLU N 1 55 THR O 3.300 2.500 3.500 3.142 2.948 3.363 . 0 0 "[ . 1 . 2 . 3 ]" 5
14 1 42 GLU O 1 55 THR N 3.300 2.500 3.500 3.272 3.113 3.387 . 0 0 "[ . 1 . 2 . 3 ]" 5
15 1 44 THR N 1 53 THR O 3.300 2.500 3.500 3.007 2.837 3.121 . 0 0 "[ . 1 . 2 . 3 ]" 5
16 1 44 THR O 1 53 THR N 3.300 2.500 3.500 2.969 2.857 3.086 . 0 0 "[ . 1 . 2 . 3 ]" 5
17 1 1 MET O 1 20 ALA H 2.300 . 2.500 2.314 1.920 2.518 0.018 13 0 "[ . 1 . 2 . 3 ]" 5
18 1 3 TYR H 1 18 THR O 2.300 . 2.500 2.158 1.963 2.336 . 0 0 "[ . 1 . 2 . 3 ]" 5
19 1 3 TYR O 1 18 THR H 2.300 . 2.500 2.281 2.201 2.413 . 0 0 "[ . 1 . 2 . 3 ]" 5
20 1 5 LEU H 1 16 THR O 2.300 . 2.500 1.965 1.838 2.074 . 0 0 "[ . 1 . 2 . 3 ]" 5
21 1 5 LEU O 1 16 THR H 2.300 . 2.500 2.174 2.044 2.287 . 0 0 "[ . 1 . 2 . 3 ]" 5
22 1 7 LEU H 1 14 GLY O 2.300 . 2.500 1.844 1.694 1.968 . 0 0 "[ . 1 . 2 . 3 ]" 5
23 1 7 LEU O 1 14 GLY H 2.300 . 2.500 2.200 1.957 2.343 . 0 0 "[ . 1 . 2 . 3 ]" 5
24 1 4 LYS H 1 50 LYS O 2.300 . 2.500 2.375 2.080 2.620 0.120 18 0 "[ . 1 . 2 . 3 ]" 5
25 1 4 LYS O 1 52 PHE H 2.300 . 2.500 1.818 1.638 2.001 . 0 0 "[ . 1 . 2 . 3 ]" 5
26 1 6 ILE H 1 52 PHE O 2.300 . 2.500 2.150 1.995 2.395 . 0 0 "[ . 1 . 2 . 3 ]" 5
27 1 6 ILE O 1 54 VAL H 2.300 . 2.500 2.441 2.333 2.539 0.039 13 0 "[ . 1 . 2 . 3 ]" 5
28 1 8 ASN H 1 54 VAL O 2.300 . 2.500 2.468 2.306 2.566 0.066 19 0 "[ . 1 . 2 . 3 ]" 5
29 1 42 GLU H 1 55 THR O 2.300 . 2.500 2.261 2.105 2.452 . 0 0 "[ . 1 . 2 . 3 ]" 5
30 1 42 GLU O 1 55 THR H 2.300 . 2.500 2.334 2.159 2.451 . 0 0 "[ . 1 . 2 . 3 ]" 5
31 1 44 THR H 1 53 THR O 2.300 . 2.500 2.136 1.970 2.278 . 0 0 "[ . 1 . 2 . 3 ]" 5
32 1 44 THR O 1 53 THR H 2.300 . 2.500 2.006 1.888 2.126 . 0 0 "[ . 1 . 2 . 3 ]" 5
stop_
save_
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