NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
385152 |
1kv4   |
5265 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1kv4
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 391
_Distance_constraint_stats_list.Viol_count 724
_Distance_constraint_stats_list.Viol_total 656.623
_Distance_constraint_stats_list.Viol_max 0.264
_Distance_constraint_stats_list.Viol_rms 0.0198
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0042
_Distance_constraint_stats_list.Viol_average_violations_only 0.0453
_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 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 ILE 0.528 0.098 17 0 "[ . 1 . 2]"
1 4 PRO 0.476 0.052 2 0 "[ . 1 . 2]"
1 5 ILE 1.785 0.092 8 0 "[ . 1 . 2]"
1 6 LYS 1.040 0.056 11 0 "[ . 1 . 2]"
1 7 ALA 1.015 0.055 10 0 "[ . 1 . 2]"
1 8 ILE 1.632 0.094 15 0 "[ . 1 . 2]"
1 9 LYS 0.795 0.047 15 0 "[ . 1 . 2]"
1 10 THR 1.457 0.054 5 0 "[ . 1 . 2]"
1 11 VAL 1.629 0.088 9 0 "[ . 1 . 2]"
1 12 GLY 0.985 0.085 12 0 "[ . 1 . 2]"
1 13 LYS 0.652 0.054 5 0 "[ . 1 . 2]"
1 14 ALA 1.549 0.083 5 0 "[ . 1 . 2]"
1 15 VAL 1.463 0.078 16 0 "[ . 1 . 2]"
1 16 GLY 0.334 0.043 5 0 "[ . 1 . 2]"
1 17 LYS 1.465 0.083 5 0 "[ . 1 . 2]"
1 18 GLY 0.585 0.058 20 0 "[ . 1 . 2]"
1 19 LEU 1.346 0.114 3 0 "[ . 1 . 2]"
1 20 ARG 2.301 0.114 3 0 "[ . 1 . 2]"
1 21 ALA 2.608 0.180 20 0 "[ . 1 . 2]"
1 22 ILE 1.271 0.069 1 0 "[ . 1 . 2]"
1 23 ASN 9.004 0.264 5 0 "[ . 1 . 2]"
1 24 ILE 12.041 0.264 5 0 "[ . 1 . 2]"
1 25 ALA 3.958 0.222 18 0 "[ . 1 . 2]"
1 26 SER 3.787 0.227 10 0 "[ . 1 . 2]"
1 27 THR 0.454 0.079 16 0 "[ . 1 . 2]"
1 28 ALA 0.763 0.055 15 0 "[ . 1 . 2]"
1 29 ASN 2.113 0.088 2 0 "[ . 1 . 2]"
1 30 ASP 1.170 0.060 13 0 "[ . 1 . 2]"
1 31 VAL 1.059 0.079 16 0 "[ . 1 . 2]"
1 32 PHE 1.098 0.056 3 0 "[ . 1 . 2]"
1 33 ASN 0.316 0.045 2 0 "[ . 1 . 2]"
1 34 PHE 0.342 0.052 19 0 "[ . 1 . 2]"
1 35 LEU 0.341 0.054 18 0 "[ . 1 . 2]"
1 36 LYS 0.230 0.054 18 0 "[ . 1 . 2]"
1 37 PRO 0.179 0.053 6 0 "[ . 1 . 2]"
1 38 LYS 0.407 0.053 6 0 "[ . 1 . 2]"
1 39 LYS 0.278 0.050 3 0 "[ . 1 . 2]"
1 40 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 ALA 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 HA 1 2 LYS H 2.000 . 2.700 2.366 2.149 2.697 . 0 0 "[ . 1 . 2]" 1
2 1 1 ALA MB 1 2 LYS H 2.000 . 6.000 3.211 2.080 3.721 . 0 0 "[ . 1 . 2]" 1
3 1 2 LYS HA 1 3 ILE H 2.000 . 5.000 3.072 2.234 3.568 . 0 0 "[ . 1 . 2]" 1
4 1 2 LYS H 1 2 LYS QB 2.000 . 4.500 2.790 2.232 3.498 . 0 0 "[ . 1 . 2]" 1
5 1 2 LYS H 1 2 LYS QD 2.000 . 4.500 3.223 1.815 4.167 . 0 0 "[ . 1 . 2]" 1
6 1 2 LYS H 1 2 LYS QG 2.000 . 6.000 3.006 1.860 4.363 . 0 0 "[ . 1 . 2]" 1
7 1 2 LYS QG 1 3 ILE H 2.000 . 6.000 3.748 2.064 5.058 . 0 0 "[ . 1 . 2]" 1
8 1 2 LYS QD 1 3 ILE H 2.000 . 4.500 3.640 2.519 4.077 . 0 0 "[ . 1 . 2]" 1
9 1 3 ILE H 1 4 PRO QD 2.000 . 4.500 1.942 1.766 2.492 0.034 6 0 "[ . 1 . 2]" 1
10 1 3 ILE H 1 4 PRO QG 2.000 . 4.500 3.782 3.435 4.091 . 0 0 "[ . 1 . 2]" 1
11 1 3 ILE H 1 3 ILE HB 2.000 . 3.500 3.116 2.427 3.598 0.098 17 0 "[ . 1 . 2]" 1
12 1 3 ILE H 1 3 ILE QG 2.000 . 4.500 2.716 1.876 4.115 . 0 0 "[ . 1 . 2]" 1
13 1 3 ILE H 1 3 ILE MG 2.000 . 6.000 3.652 2.291 4.047 . 0 0 "[ . 1 . 2]" 1
14 1 3 ILE H 1 3 ILE MD 2.000 . 6.000 3.473 2.230 5.006 . 0 0 "[ . 1 . 2]" 1
15 1 3 ILE HA 1 4 PRO QG 2.000 . 6.000 4.790 4.080 5.304 . 0 0 "[ . 1 . 2]" 1
16 1 4 PRO HA 1 4 PRO QD 2.000 . 6.000 3.428 3.236 3.535 . 0 0 "[ . 1 . 2]" 1
17 1 4 PRO HA 1 5 ILE H 2.000 . 3.500 3.402 3.078 3.552 0.052 11 0 "[ . 1 . 2]" 1
18 1 4 PRO HA 1 6 LYS H 2.000 . 5.000 4.522 3.629 5.035 0.035 2 0 "[ . 1 . 2]" 1
19 1 4 PRO HA 1 7 ALA H 2.000 . 3.500 3.364 2.965 3.552 0.052 2 0 "[ . 1 . 2]" 1
20 1 4 PRO HA 1 7 ALA MB 2.000 . 5.000 2.471 1.957 3.170 . 0 0 "[ . 1 . 2]" 1
21 1 4 PRO HA 1 8 ILE H 2.000 . 5.000 4.453 3.809 5.021 0.021 19 0 "[ . 1 . 2]" 1
22 1 4 PRO QB 1 4 PRO QD 2.000 . 4.500 2.827 2.738 3.010 . 0 0 "[ . 1 . 2]" 1
23 1 4 PRO QG 1 5 ILE H 2.000 . 4.500 3.174 1.843 3.983 . 0 0 "[ . 1 . 2]" 1
24 1 4 PRO QD 1 5 ILE H 2.000 . 5.000 2.717 2.247 3.265 . 0 0 "[ . 1 . 2]" 1
25 1 4 PRO QG 1 7 ALA MB 2.000 . 6.500 4.480 3.524 4.731 . 0 0 "[ . 1 . 2]" 1
26 1 5 ILE HA 1 6 LYS H 2.000 . 3.500 3.541 3.512 3.556 0.056 11 0 "[ . 1 . 2]" 1
27 1 5 ILE HA 1 7 ALA H 2.000 . 5.000 3.991 3.765 4.282 . 0 0 "[ . 1 . 2]" 1
28 1 5 ILE HA 1 8 ILE H 2.000 . 3.500 3.471 3.294 3.538 0.038 11 0 "[ . 1 . 2]" 1
29 1 5 ILE HA 1 8 ILE QG 2.000 . 6.000 4.578 1.889 5.402 . 0 0 "[ . 1 . 2]" 1
30 1 5 ILE HA 1 8 ILE MD 2.000 . 6.000 4.191 1.841 4.881 . 0 0 "[ . 1 . 2]" 1
31 1 5 ILE HA 1 9 LYS H 2.000 . 5.000 4.463 3.927 4.707 . 0 0 "[ . 1 . 2]" 1
32 1 5 ILE H 1 5 ILE HB 2.000 . 3.500 3.006 2.287 3.592 0.092 8 0 "[ . 1 . 2]" 1
33 1 5 ILE H 1 5 ILE MG 2.000 . 6.000 2.797 1.875 3.774 . 0 0 "[ . 1 . 2]" 1
34 1 5 ILE H 1 5 ILE MD 2.000 . 6.000 3.558 2.376 4.380 . 0 0 "[ . 1 . 2]" 1
35 1 5 ILE QG 1 6 LYS H 2.000 . 6.000 3.112 1.804 4.336 . 0 0 "[ . 1 . 2]" 1
36 1 5 ILE MG 1 6 LYS H 2.000 . 4.500 3.036 1.770 3.885 0.030 14 0 "[ . 1 . 2]" 1
37 1 5 ILE MD 1 6 LYS H 2.000 . 4.500 3.083 2.045 3.630 . 0 0 "[ . 1 . 2]" 1
38 1 5 ILE H 1 6 LYS H 2.000 . 3.500 3.025 2.585 3.451 . 0 0 "[ . 1 . 2]" 1
39 1 6 LYS HA 1 7 ALA H 2.000 . 3.500 3.458 3.398 3.509 0.009 10 0 "[ . 1 . 2]" 1
40 1 6 LYS HA 1 8 ILE H 2.000 . 5.000 4.482 4.236 4.736 . 0 0 "[ . 1 . 2]" 1
41 1 6 LYS HA 1 9 LYS H 2.000 . 3.500 3.467 3.338 3.527 0.027 17 0 "[ . 1 . 2]" 1
42 1 6 LYS HA 1 10 THR H 2.000 . 5.000 4.228 3.754 4.579 . 0 0 "[ . 1 . 2]" 1
43 1 6 LYS H 1 6 LYS QB 2.000 . 4.500 2.379 2.038 2.763 . 0 0 "[ . 1 . 2]" 1
44 1 6 LYS QB 1 7 ALA H 2.000 . 5.000 3.100 2.789 3.696 . 0 0 "[ . 1 . 2]" 1
45 1 6 LYS H 1 6 LYS QD 2.000 . 4.500 3.433 1.945 4.121 . 0 0 "[ . 1 . 2]" 1
46 1 6 LYS H 1 6 LYS QG 2.000 . 4.500 2.807 1.872 4.036 . 0 0 "[ . 1 . 2]" 1
47 1 6 LYS H 1 7 ALA H 2.000 . 3.500 2.678 2.455 2.937 . 0 0 "[ . 1 . 2]" 1
48 1 6 LYS H 1 7 ALA MB 2.000 . 6.000 4.300 4.032 4.574 . 0 0 "[ . 1 . 2]" 1
49 1 7 ALA HA 1 8 ILE H 2.000 . 3.500 3.537 3.514 3.555 0.055 10 0 "[ . 1 . 2]" 1
50 1 7 ALA HA 1 10 THR H 2.000 . 3.500 3.483 3.351 3.535 0.035 18 0 "[ . 1 . 2]" 1
51 1 7 ALA HA 1 11 VAL H 2.000 . 5.000 4.370 3.968 4.666 . 0 0 "[ . 1 . 2]" 1
52 1 7 ALA H 1 7 ALA MB 2.000 . 5.000 2.144 2.023 2.256 . 0 0 "[ . 1 . 2]" 1
53 1 7 ALA H 1 8 ILE MG 2.000 . 6.000 3.879 3.395 4.436 . 0 0 "[ . 1 . 2]" 1
54 1 7 ALA H 1 8 ILE H 2.000 . 3.500 2.562 2.447 2.784 . 0 0 "[ . 1 . 2]" 1
55 1 7 ALA HA 1 10 THR HB 2.000 . 5.000 2.982 2.584 3.583 . 0 0 "[ . 1 . 2]" 1
56 1 7 ALA HA 1 10 THR MG 2.000 . 6.500 4.050 1.865 4.662 . 0 0 "[ . 1 . 2]" 1
57 1 7 ALA HA 1 11 VAL QG 2.000 . 7.400 4.243 3.670 5.362 . 0 0 "[ . 1 . 2]" 1
58 1 7 ALA MB 1 8 ILE HA 2.000 . 6.000 3.753 3.638 3.872 . 0 0 "[ . 1 . 2]" 1
59 1 7 ALA MB 1 8 ILE H 2.000 . 6.000 2.557 2.246 2.751 . 0 0 "[ . 1 . 2]" 1
60 1 7 ALA MB 1 10 THR H 2.000 . 6.000 4.613 4.450 4.715 . 0 0 "[ . 1 . 2]" 1
61 1 7 ALA MB 1 10 THR HB 2.000 . 6.000 4.321 4.056 5.045 . 0 0 "[ . 1 . 2]" 1
62 1 8 ILE HA 1 9 LYS H 2.000 . 3.500 3.478 3.396 3.521 0.021 19 0 "[ . 1 . 2]" 1
63 1 8 ILE HA 1 10 THR H 2.000 . 5.000 4.375 4.071 4.628 . 0 0 "[ . 1 . 2]" 1
64 1 8 ILE HA 1 11 VAL H 2.000 . 3.500 3.500 3.411 3.550 0.050 19 0 "[ . 1 . 2]" 1
65 1 8 ILE HA 1 12 GLY H 2.000 . 5.000 4.115 3.551 4.557 . 0 0 "[ . 1 . 2]" 1
66 1 8 ILE H 1 8 ILE HB 2.000 . 3.500 2.769 2.285 3.594 0.094 15 0 "[ . 1 . 2]" 1
67 1 8 ILE H 1 8 ILE MD 2.000 . 6.000 4.174 3.486 4.406 . 0 0 "[ . 1 . 2]" 1
68 1 8 ILE H 1 8 ILE QG 2.000 . 4.500 3.645 1.903 4.078 . 0 0 "[ . 1 . 2]" 1
69 1 8 ILE QG 1 9 LYS H 2.000 . 4.500 3.588 1.859 4.110 . 0 0 "[ . 1 . 2]" 1
70 1 8 ILE H 1 8 ILE MG 2.000 . 4.500 2.224 1.867 2.663 . 0 0 "[ . 1 . 2]" 1
71 1 8 ILE H 1 9 LYS H 2.000 . 3.500 2.558 2.405 2.683 . 0 0 "[ . 1 . 2]" 1
72 1 9 LYS HA 1 10 THR H 2.000 . 3.500 3.520 3.475 3.547 0.047 15 0 "[ . 1 . 2]" 1
73 1 9 LYS HA 1 12 GLY H 2.000 . 3.500 3.449 3.303 3.535 0.035 3 0 "[ . 1 . 2]" 1
74 1 9 LYS HA 1 13 LYS H 2.000 . 5.000 4.261 3.787 4.684 . 0 0 "[ . 1 . 2]" 1
75 1 9 LYS H 1 9 LYS QB 2.000 . 4.500 2.409 2.075 2.707 . 0 0 "[ . 1 . 2]" 1
76 1 9 LYS QB 1 10 THR H 2.000 . 4.500 2.647 2.428 2.914 . 0 0 "[ . 1 . 2]" 1
77 1 9 LYS H 1 9 LYS QD 2.000 . 4.500 3.589 2.428 4.074 . 0 0 "[ . 1 . 2]" 1
78 1 9 LYS H 1 9 LYS QE 2.000 . 5.000 4.142 3.020 4.535 . 0 0 "[ . 1 . 2]" 1
79 1 9 LYS H 1 9 LYS QG 2.000 . 4.500 2.666 1.933 4.017 . 0 0 "[ . 1 . 2]" 1
80 1 9 LYS H 1 10 THR H 2.000 . 3.500 2.515 2.353 2.663 . 0 0 "[ . 1 . 2]" 1
81 1 10 THR HA 1 11 VAL H 2.000 . 3.500 3.515 3.450 3.540 0.040 1 0 "[ . 1 . 2]" 1
82 1 10 THR HA 1 13 LYS H 2.000 . 3.500 3.517 3.435 3.554 0.054 5 0 "[ . 1 . 2]" 1
83 1 10 THR HA 1 14 ALA H 2.000 . 5.000 4.342 4.115 4.648 . 0 0 "[ . 1 . 2]" 1
84 1 10 THR H 1 10 THR HB 2.000 . 3.500 2.383 2.075 2.658 . 0 0 "[ . 1 . 2]" 1
85 1 10 THR H 1 10 THR MG 2.000 . 4.500 3.645 2.423 3.756 . 0 0 "[ . 1 . 2]" 1
86 1 10 THR MG 1 11 VAL H 2.000 . 4.500 3.317 2.179 3.700 . 0 0 "[ . 1 . 2]" 1
87 1 10 THR MG 1 11 VAL HA 2.000 . 5.000 3.445 2.952 3.837 . 0 0 "[ . 1 . 2]" 1
88 1 10 THR MG 1 13 LYS H 2.000 . 6.000 4.627 4.381 4.903 . 0 0 "[ . 1 . 2]" 1
89 1 10 THR H 1 11 VAL H 2.000 . 3.500 2.601 2.485 2.738 . 0 0 "[ . 1 . 2]" 1
90 1 10 THR H 1 11 VAL QG 2.000 . 7.400 4.087 3.388 4.441 . 0 0 "[ . 1 . 2]" 1
91 1 10 THR HB 1 11 VAL QG 2.000 . 7.400 3.623 3.081 4.778 . 0 0 "[ . 1 . 2]" 1
92 1 10 THR H 1 13 LYS QG 2.000 . 6.000 4.536 3.751 5.268 . 0 0 "[ . 1 . 2]" 1
93 1 11 VAL HA 1 12 GLY H 2.000 . 3.500 3.528 3.450 3.554 0.054 14 0 "[ . 1 . 2]" 1
94 1 11 VAL HA 1 13 LYS H 2.000 . 5.000 4.104 3.902 4.336 . 0 0 "[ . 1 . 2]" 1
95 1 11 VAL HA 1 14 ALA MB 2.000 . 4.500 2.491 2.205 2.883 . 0 0 "[ . 1 . 2]" 1
96 1 11 VAL HA 1 14 ALA H 2.000 . 3.500 3.251 3.145 3.503 0.003 10 0 "[ . 1 . 2]" 1
97 1 11 VAL HA 1 15 VAL H 2.000 . 5.000 4.080 3.320 4.470 . 0 0 "[ . 1 . 2]" 1
98 1 11 VAL H 1 11 VAL HB 2.000 . 3.500 2.536 2.194 3.588 0.088 9 0 "[ . 1 . 2]" 1
99 1 11 VAL HB 1 12 GLY H 2.000 . 3.500 2.845 2.338 3.585 0.085 12 0 "[ . 1 . 2]" 1
100 1 11 VAL H 1 11 VAL QG 2.000 . 5.900 2.332 1.787 2.760 0.013 18 0 "[ . 1 . 2]" 1
101 1 11 VAL MG1 1 12 GLY H 2.000 . 6.000 3.192 1.878 3.940 . 0 0 "[ . 1 . 2]" 1
102 1 11 VAL MG2 1 12 GLY H 2.000 . 6.000 3.698 1.827 4.190 . 0 0 "[ . 1 . 2]" 1
103 1 11 VAL QG 1 13 LYS H 2.000 . 5.900 4.283 3.837 4.492 . 0 0 "[ . 1 . 2]" 1
104 1 11 VAL QG 1 14 ALA MB 2.000 . 7.400 3.257 2.885 3.674 . 0 0 "[ . 1 . 2]" 1
105 1 11 VAL MG1 1 14 ALA H 2.000 . 6.000 4.454 4.209 5.004 . 0 0 "[ . 1 . 2]" 1
106 1 11 VAL MG2 1 14 ALA H 2.000 . 6.000 4.893 4.563 4.999 . 0 0 "[ . 1 . 2]" 1
107 1 11 VAL H 1 12 GLY H 2.000 . 3.500 2.570 2.372 2.787 . 0 0 "[ . 1 . 2]" 1
108 1 12 GLY QA 1 13 LYS H 2.000 . 4.500 2.784 2.712 2.837 . 0 0 "[ . 1 . 2]" 1
109 1 12 GLY QA 1 15 VAL QG 2.000 . 8.400 2.938 1.938 3.769 . 0 0 "[ . 1 . 2]" 1
110 1 12 GLY QA 1 15 VAL H 2.000 . 4.500 3.642 3.156 3.816 . 0 0 "[ . 1 . 2]" 1
111 1 12 GLY QA 1 16 GLY H 2.000 . 6.000 3.989 3.499 4.357 . 0 0 "[ . 1 . 2]" 1
112 1 12 GLY H 1 13 LYS H 2.000 . 3.500 2.625 2.493 2.793 . 0 0 "[ . 1 . 2]" 1
113 1 12 GLY QA 1 13 LYS QD 2.000 . 7.000 4.923 3.241 5.592 . 0 0 "[ . 1 . 2]" 1
114 1 13 LYS HA 1 14 ALA H 2.000 . 3.500 3.485 3.427 3.527 0.027 4 0 "[ . 1 . 2]" 1
115 1 13 LYS HA 1 16 GLY H 2.000 . 3.500 3.436 3.187 3.543 0.043 5 0 "[ . 1 . 2]" 1
116 1 13 LYS HA 1 17 LYS H 2.000 . 5.000 4.046 3.552 4.541 . 0 0 "[ . 1 . 2]" 1
117 1 13 LYS QB 1 14 ALA H 2.000 . 4.500 2.967 2.563 3.604 . 0 0 "[ . 1 . 2]" 1
118 1 13 LYS QD 1 14 ALA H 2.000 . 6.000 4.527 2.538 5.265 . 0 0 "[ . 1 . 2]" 1
119 1 13 LYS H 1 13 LYS QB 2.000 . 4.500 2.471 2.174 2.899 . 0 0 "[ . 1 . 2]" 1
120 1 13 LYS H 1 13 LYS QD 2.000 . 4.500 3.702 2.433 4.114 . 0 0 "[ . 1 . 2]" 1
121 1 13 LYS H 1 13 LYS QE 2.000 . 6.000 4.616 3.483 5.344 . 0 0 "[ . 1 . 2]" 1
122 1 13 LYS H 1 13 LYS QG 2.000 . 4.500 2.376 1.826 3.482 . 0 0 "[ . 1 . 2]" 1
123 1 13 LYS H 1 14 ALA H 2.000 . 3.500 2.394 2.278 2.681 . 0 0 "[ . 1 . 2]" 1
124 1 13 LYS H 1 14 ALA MB 2.000 . 6.000 4.040 3.883 4.311 . 0 0 "[ . 1 . 2]" 1
125 1 14 ALA HA 1 15 VAL H 2.000 . 3.500 3.538 3.476 3.556 0.056 1 0 "[ . 1 . 2]" 1
126 1 14 ALA HA 1 16 GLY H 2.000 . 5.000 4.299 3.953 4.606 . 0 0 "[ . 1 . 2]" 1
127 1 14 ALA HA 1 17 LYS H 2.000 . 3.500 3.526 3.423 3.583 0.083 5 0 "[ . 1 . 2]" 1
128 1 14 ALA HA 1 18 GLY H 2.000 . 5.000 4.186 3.510 4.647 . 0 0 "[ . 1 . 2]" 1
129 1 14 ALA H 1 14 ALA MB 2.000 . 4.500 2.127 2.047 2.254 . 0 0 "[ . 1 . 2]" 1
130 1 14 ALA MB 1 15 VAL H 2.000 . 5.000 2.487 2.198 2.837 . 0 0 "[ . 1 . 2]" 1
131 1 14 ALA MB 1 17 LYS H 2.000 . 6.500 4.598 4.507 4.737 . 0 0 "[ . 1 . 2]" 1
132 1 14 ALA H 1 15 VAL H 2.000 . 3.500 2.624 2.476 2.901 . 0 0 "[ . 1 . 2]" 1
133 1 14 ALA MB 1 15 VAL HA 2.000 . 6.000 3.748 3.664 3.849 . 0 0 "[ . 1 . 2]" 1
134 1 14 ALA MB 1 16 GLY H 2.000 . 6.000 4.333 4.085 4.629 . 0 0 "[ . 1 . 2]" 1
135 1 15 VAL HA 1 16 GLY H 2.000 . 3.500 3.500 3.426 3.538 0.038 16 0 "[ . 1 . 2]" 1
136 1 15 VAL HA 1 18 GLY H 2.000 . 3.500 3.467 3.233 3.545 0.045 5 0 "[ . 1 . 2]" 1
137 1 15 VAL HA 1 19 LEU H 2.000 . 5.000 4.117 3.480 4.495 . 0 0 "[ . 1 . 2]" 1
138 1 15 VAL H 1 15 VAL HB 2.000 . 3.500 2.823 2.378 3.578 0.078 16 0 "[ . 1 . 2]" 1
139 1 15 VAL HB 1 16 GLY H 2.000 . 3.500 2.971 2.548 3.518 0.018 1 0 "[ . 1 . 2]" 1
140 1 15 VAL H 1 15 VAL MG1 2.000 . 4.500 3.500 2.636 3.784 . 0 0 "[ . 1 . 2]" 1
141 1 15 VAL H 1 15 VAL MG2 2.000 . 4.500 2.090 1.822 2.538 . 0 0 "[ . 1 . 2]" 1
142 1 15 VAL MG1 1 16 GLY H 2.000 . 6.000 3.783 3.247 4.256 . 0 0 "[ . 1 . 2]" 1
143 1 15 VAL MG2 1 16 GLY H 2.000 . 6.000 3.353 1.843 4.049 . 0 0 "[ . 1 . 2]" 1
144 1 15 VAL QG 1 18 GLY H 2.000 . 7.400 4.387 4.119 4.646 . 0 0 "[ . 1 . 2]" 1
145 1 15 VAL QG 1 19 LEU H 2.000 . 7.400 4.151 3.559 4.997 . 0 0 "[ . 1 . 2]" 1
146 1 15 VAL H 1 16 GLY H 2.000 . 3.500 2.546 2.378 2.683 . 0 0 "[ . 1 . 2]" 1
147 1 16 GLY QA 1 17 LYS H 2.000 . 4.500 2.756 2.568 2.821 . 0 0 "[ . 1 . 2]" 1
148 1 16 GLY H 1 17 LYS H 2.000 . 3.500 2.582 2.415 2.736 . 0 0 "[ . 1 . 2]" 1
149 1 16 GLY QA 1 19 LEU H 2.000 . 4.500 3.652 3.287 3.831 . 0 0 "[ . 1 . 2]" 1
150 1 16 GLY QA 1 20 ARG H 2.000 . 6.000 4.001 3.548 4.352 . 0 0 "[ . 1 . 2]" 1
151 1 17 LYS HA 1 18 GLY H 2.000 . 3.500 3.511 3.444 3.558 0.058 20 0 "[ . 1 . 2]" 1
152 1 17 LYS HA 1 20 ARG H 2.000 . 3.500 3.514 3.426 3.561 0.061 5 0 "[ . 1 . 2]" 1
153 1 17 LYS HA 1 21 ALA H 2.000 . 5.000 3.982 3.353 4.515 . 0 0 "[ . 1 . 2]" 1
154 1 17 LYS H 1 17 LYS QB 2.000 . 4.500 2.219 2.066 2.582 . 0 0 "[ . 1 . 2]" 1
155 1 17 LYS H 1 17 LYS QD 2.000 . 4.500 3.706 2.888 4.045 . 0 0 "[ . 1 . 2]" 1
156 1 17 LYS H 1 17 LYS QG 2.000 . 4.500 3.331 2.173 4.082 . 0 0 "[ . 1 . 2]" 1
157 1 17 LYS H 1 18 GLY H 2.000 . 3.500 2.480 2.305 2.650 . 0 0 "[ . 1 . 2]" 1
158 1 17 LYS QB 1 18 GLY H 2.000 . 6.000 2.833 2.283 3.567 . 0 0 "[ . 1 . 2]" 1
159 1 17 LYS QD 1 18 GLY H 2.000 . 6.000 4.181 2.096 5.235 . 0 0 "[ . 1 . 2]" 1
160 1 17 LYS QG 1 18 GLY H 2.000 . 6.000 3.856 2.267 4.537 . 0 0 "[ . 1 . 2]" 1
161 1 18 GLY QA 1 19 LEU H 2.000 . 4.500 2.672 2.553 2.808 . 0 0 "[ . 1 . 2]" 1
162 1 18 GLY QA 1 21 ALA MB 2.000 . 6.000 2.666 2.179 2.950 . 0 0 "[ . 1 . 2]" 1
163 1 18 GLY QA 1 21 ALA H 2.000 . 4.500 3.496 3.232 3.792 . 0 0 "[ . 1 . 2]" 1
164 1 18 GLY QA 1 22 ILE H 2.000 . 6.000 4.286 3.951 4.469 . 0 0 "[ . 1 . 2]" 1
165 1 18 GLY H 1 19 LEU H 2.000 . 3.500 2.705 2.492 2.853 . 0 0 "[ . 1 . 2]" 1
166 1 18 GLY H 1 20 ARG QB 2.000 . 6.000 4.878 4.510 5.291 . 0 0 "[ . 1 . 2]" 1
167 1 18 GLY QA 1 22 ILE MD 2.000 . 7.000 4.048 3.402 4.807 . 0 0 "[ . 1 . 2]" 1
168 1 18 GLY H 1 21 ALA MB 2.000 . 6.500 4.629 4.255 5.107 . 0 0 "[ . 1 . 2]" 1
169 1 19 LEU HA 1 20 ARG H 2.000 . 3.500 3.537 3.517 3.557 0.057 2 0 "[ . 1 . 2]" 1
170 1 19 LEU HA 1 22 ILE QG 2.000 . 6.000 3.418 2.248 4.451 . 0 0 "[ . 1 . 2]" 1
171 1 19 LEU HA 1 22 ILE MG 2.000 . 6.000 4.152 3.656 4.723 . 0 0 "[ . 1 . 2]" 1
172 1 19 LEU HA 1 22 ILE MD 2.000 . 6.000 3.189 1.854 4.701 . 0 0 "[ . 1 . 2]" 1
173 1 19 LEU HA 1 22 ILE H 2.000 . 3.500 3.410 3.143 3.569 0.069 1 0 "[ . 1 . 2]" 1
174 1 19 LEU HA 1 23 ASN H 2.000 . 5.000 4.742 4.545 4.896 . 0 0 "[ . 1 . 2]" 1
175 1 19 LEU H 1 19 LEU QB 2.000 . 4.500 2.176 2.030 2.554 . 0 0 "[ . 1 . 2]" 1
176 1 19 LEU H 1 19 LEU QD 2.000 . 5.900 3.445 2.229 3.722 . 0 0 "[ . 1 . 2]" 1
177 1 19 LEU QD 1 20 ARG H 2.000 . 7.400 2.985 1.878 3.611 . 0 0 "[ . 1 . 2]" 1
178 1 19 LEU HG 1 20 ARG H 2.000 . 5.000 2.879 1.788 4.812 0.012 3 0 "[ . 1 . 2]" 1
179 1 19 LEU HG 1 20 ARG HE 2.000 . 5.000 4.863 3.694 5.114 0.114 3 0 "[ . 1 . 2]" 1
180 1 19 LEU H 1 20 ARG H 2.000 . 3.500 2.638 2.487 2.784 . 0 0 "[ . 1 . 2]" 1
181 1 19 LEU QD 1 23 ASN H 2.000 . 7.400 4.115 3.486 5.088 . 0 0 "[ . 1 . 2]" 1
182 1 19 LEU QD 1 23 ASN QD 2.000 . 8.400 4.987 3.798 5.489 . 0 0 "[ . 1 . 2]" 1
183 1 19 LEU QD 1 20 ARG HE 2.000 . 7.400 3.837 2.416 5.023 . 0 0 "[ . 1 . 2]" 1
184 1 19 LEU H 1 21 ALA MB 2.000 . 6.000 4.704 4.409 4.882 . 0 0 "[ . 1 . 2]" 1
185 1 20 ARG HA 1 21 ALA H 2.000 . 3.500 3.517 3.435 3.552 0.052 4 0 "[ . 1 . 2]" 1
186 1 20 ARG HA 1 23 ASN HB3 2.000 . 3.500 2.354 2.051 3.404 . 0 0 "[ . 1 . 2]" 1
187 1 20 ARG HA 1 23 ASN HB2 2.000 . 5.000 3.819 3.416 4.739 . 0 0 "[ . 1 . 2]" 1
188 1 20 ARG HA 1 23 ASN QD 2.000 . 6.000 3.843 1.915 5.038 . 0 0 "[ . 1 . 2]" 1
189 1 20 ARG HA 1 23 ASN H 2.000 . 3.500 3.177 2.841 3.427 . 0 0 "[ . 1 . 2]" 1
190 1 20 ARG HA 1 24 ILE H 2.000 . 5.000 4.223 3.718 4.695 . 0 0 "[ . 1 . 2]" 1
191 1 20 ARG QB 1 20 ARG HE 2.000 . 6.000 3.058 1.724 4.486 0.076 7 0 "[ . 1 . 2]" 1
192 1 20 ARG H 1 20 ARG QB 2.000 . 6.000 2.169 2.052 2.256 . 0 0 "[ . 1 . 2]" 1
193 1 20 ARG QB 1 23 ASN H 2.000 . 6.000 4.642 4.283 5.002 . 0 0 "[ . 1 . 2]" 1
194 1 20 ARG QB 1 21 ALA H 2.000 . 4.500 2.666 2.430 2.989 . 0 0 "[ . 1 . 2]" 1
195 1 20 ARG QD 1 23 ASN H 2.000 . 4.500 3.859 3.611 4.159 . 0 0 "[ . 1 . 2]" 1
196 1 20 ARG H 1 20 ARG QG 2.000 . 4.500 3.952 3.605 4.074 . 0 0 "[ . 1 . 2]" 1
197 1 20 ARG QG 1 24 ILE H 2.000 . 6.000 4.458 3.660 5.267 . 0 0 "[ . 1 . 2]" 1
198 1 20 ARG QD 1 24 ILE H 2.000 . 6.000 3.690 2.837 4.651 . 0 0 "[ . 1 . 2]" 1
199 1 20 ARG H 1 21 ALA H 2.000 . 3.500 2.678 2.411 2.944 . 0 0 "[ . 1 . 2]" 1
200 1 20 ARG H 1 21 ALA MB 2.000 . 6.500 4.292 4.008 4.501 . 0 0 "[ . 1 . 2]" 1
201 1 21 ALA HA 1 22 ILE H 2.000 . 3.500 3.494 3.408 3.528 0.028 19 0 "[ . 1 . 2]" 1
202 1 21 ALA HA 1 24 ILE H 2.000 . 3.500 3.599 3.548 3.680 0.180 20 0 "[ . 1 . 2]" 1
203 1 21 ALA H 1 21 ALA MB 2.000 . 4.500 2.145 2.035 2.263 . 0 0 "[ . 1 . 2]" 1
204 1 21 ALA H 1 22 ILE H 2.000 . 3.500 2.622 2.370 2.781 . 0 0 "[ . 1 . 2]" 1
205 1 21 ALA H 1 22 ILE HB 2.000 . 5.000 4.771 4.470 4.998 . 0 0 "[ . 1 . 2]" 1
206 1 21 ALA MB 1 22 ILE HA 2.000 . 6.000 3.843 3.731 3.940 . 0 0 "[ . 1 . 2]" 1
207 1 21 ALA MB 1 23 ASN H 2.000 . 6.500 4.270 4.043 4.725 . 0 0 "[ . 1 . 2]" 1
208 1 21 ALA MB 1 24 ILE H 2.000 . 6.500 4.885 4.812 4.963 . 0 0 "[ . 1 . 2]" 1
209 1 22 ILE HA 1 23 ASN H 2.000 . 3.500 3.423 3.358 3.536 0.036 8 0 "[ . 1 . 2]" 1
210 1 22 ILE HA 1 25 ALA MB 2.000 . 4.500 2.193 1.942 2.452 . 0 0 "[ . 1 . 2]" 1
211 1 22 ILE HA 1 25 ALA H 2.000 . 3.500 3.517 3.448 3.565 0.065 3 0 "[ . 1 . 2]" 1
212 1 22 ILE H 1 22 ILE HB 2.000 . 3.500 2.396 2.248 2.639 . 0 0 "[ . 1 . 2]" 1
213 1 22 ILE HB 1 23 ASN H 2.000 . 3.500 3.115 2.696 3.403 . 0 0 "[ . 1 . 2]" 1
214 1 22 ILE H 1 22 ILE MG 2.000 . 4.500 3.725 3.645 3.789 . 0 0 "[ . 1 . 2]" 1
215 1 22 ILE H 1 22 ILE MD 2.000 . 4.500 3.335 2.156 3.795 . 0 0 "[ . 1 . 2]" 1
216 1 22 ILE MG 1 23 ASN H 2.000 . 4.500 3.652 3.466 3.781 . 0 0 "[ . 1 . 2]" 1
217 1 22 ILE H 1 23 ASN H 2.000 . 3.500 2.418 2.313 2.528 . 0 0 "[ . 1 . 2]" 1
218 1 22 ILE H 1 23 ASN HA 2.000 . 5.000 5.021 4.951 5.049 0.049 19 0 "[ . 1 . 2]" 1
219 1 23 ASN HA 1 24 ILE H 2.000 . 3.500 3.535 3.469 3.564 0.064 20 0 "[ . 1 . 2]" 1
220 1 23 ASN HA 1 25 ALA H 2.000 . 5.000 3.846 3.735 3.966 . 0 0 "[ . 1 . 2]" 1
221 1 23 ASN HA 1 26 SER H 2.000 . 3.500 2.984 2.793 3.078 . 0 0 "[ . 1 . 2]" 1
222 1 23 ASN HA 1 27 THR H 2.000 . 5.000 4.082 3.802 4.371 . 0 0 "[ . 1 . 2]" 1
223 1 23 ASN HA 1 24 ILE MG 2.000 . 6.500 4.959 4.692 5.514 . 0 0 "[ . 1 . 2]" 1
224 1 23 ASN HA 1 24 ILE MD 2.000 . 6.500 5.068 4.741 5.398 . 0 0 "[ . 1 . 2]" 1
225 1 23 ASN HA 1 26 SER QB 2.000 . 6.000 2.189 1.855 2.546 . 0 0 "[ . 1 . 2]" 1
226 1 23 ASN H 1 23 ASN QB 2.000 . 4.500 2.133 2.013 2.380 . 0 0 "[ . 1 . 2]" 1
227 1 23 ASN HB3 1 24 ILE H 2.000 . 3.500 3.079 2.832 3.527 0.027 8 0 "[ . 1 . 2]" 1
228 1 23 ASN HB2 1 24 ILE H 2.000 . 3.500 3.734 3.705 3.764 0.264 5 0 "[ . 1 . 2]" 1
229 1 23 ASN H 1 24 ILE H 2.000 . 3.500 2.658 2.384 2.838 . 0 0 "[ . 1 . 2]" 1
230 1 23 ASN H 1 24 ILE MD 2.000 . 6.000 3.785 3.088 4.852 . 0 0 "[ . 1 . 2]" 1
231 1 23 ASN HB3 1 26 SER H 2.000 . 5.000 5.140 5.076 5.227 0.227 10 0 "[ . 1 . 2]" 1
232 1 23 ASN HB2 1 26 SER H 2.000 . 5.000 4.943 4.630 5.044 0.044 20 0 "[ . 1 . 2]" 1
233 1 24 ILE HA 1 25 ALA H 2.000 . 3.500 3.422 3.387 3.465 . 0 0 "[ . 1 . 2]" 1
234 1 24 ILE HA 1 27 THR H 2.000 . 3.500 3.380 3.169 3.506 0.006 6 0 "[ . 1 . 2]" 1
235 1 24 ILE HA 1 27 THR HB 2.000 . 5.000 2.928 2.368 3.606 . 0 0 "[ . 1 . 2]" 1
236 1 24 ILE HA 1 27 THR MG 2.000 . 6.000 4.010 2.287 4.633 . 0 0 "[ . 1 . 2]" 1
237 1 24 ILE H 1 24 ILE HB 2.000 . 3.500 3.410 2.053 3.630 0.130 20 0 "[ . 1 . 2]" 1
238 1 24 ILE H 1 24 ILE MG 2.000 . 4.500 2.152 1.741 3.141 0.059 17 0 "[ . 1 . 2]" 1
239 1 24 ILE H 1 24 ILE MD 2.000 . 4.500 2.541 1.842 3.363 . 0 0 "[ . 1 . 2]" 1
240 1 24 ILE MD 1 26 SER H 2.000 . 6.000 4.342 3.914 5.015 . 0 0 "[ . 1 . 2]" 1
241 1 24 ILE H 1 25 ALA H 2.000 . 3.500 2.541 2.437 2.621 . 0 0 "[ . 1 . 2]" 1
242 1 24 ILE H 1 25 ALA HA 2.000 . 5.000 5.162 5.090 5.222 0.222 18 0 "[ . 1 . 2]" 1
243 1 24 ILE H 1 25 ALA MB 2.000 . 6.500 4.216 4.121 4.312 . 0 0 "[ . 1 . 2]" 1
244 1 25 ALA HA 1 26 SER H 2.000 . 3.500 3.460 3.395 3.488 . 0 0 "[ . 1 . 2]" 1
245 1 25 ALA HA 1 28 ALA H 2.000 . 3.500 3.450 3.155 3.555 0.055 15 0 "[ . 1 . 2]" 1
246 1 25 ALA HA 1 29 ASN H 2.000 . 5.000 4.474 4.045 4.968 . 0 0 "[ . 1 . 2]" 1
247 1 25 ALA MB 1 26 SER H 2.000 . 4.500 2.881 2.744 3.068 . 0 0 "[ . 1 . 2]" 1
248 1 25 ALA H 1 25 ALA MB 2.000 . 4.500 2.202 2.087 2.308 . 0 0 "[ . 1 . 2]" 1
249 1 25 ALA MB 1 29 ASN QD 2.000 . 7.500 4.128 3.074 5.274 . 0 0 "[ . 1 . 2]" 1
250 1 25 ALA H 1 26 SER QB 2.000 . 6.000 4.071 3.951 4.346 . 0 0 "[ . 1 . 2]" 1
251 1 26 SER HA 1 27 THR H 2.000 . 5.000 3.487 3.386 3.554 . 0 0 "[ . 1 . 2]" 1
252 1 26 SER H 1 26 SER QB 2.000 . 4.500 2.163 2.078 2.356 . 0 0 "[ . 1 . 2]" 1
253 1 26 SER QB 1 27 THR H 2.000 . 4.500 2.844 2.543 3.119 . 0 0 "[ . 1 . 2]" 1
254 1 26 SER HA 1 29 ASN QB 2.000 . 4.500 3.038 2.298 4.085 . 0 0 "[ . 1 . 2]" 1
255 1 26 SER HA 1 29 ASN QD 2.000 . 4.500 2.870 1.817 3.858 . 0 0 "[ . 1 . 2]" 1
256 1 26 SER HA 1 29 ASN H 2.000 . 3.500 3.534 3.423 3.588 0.088 2 0 "[ . 1 . 2]" 1
257 1 27 THR HA 1 28 ALA H 2.000 . 3.500 3.508 3.449 3.549 0.049 18 0 "[ . 1 . 2]" 1
258 1 27 THR HA 1 29 ASN H 2.000 . 5.000 4.002 3.724 4.246 . 0 0 "[ . 1 . 2]" 1
259 1 27 THR HA 1 30 ASP QB 2.000 . 4.500 3.263 2.318 4.066 . 0 0 "[ . 1 . 2]" 1
260 1 27 THR HA 1 31 VAL QG 2.000 . 7.400 3.789 3.197 4.334 . 0 0 "[ . 1 . 2]" 1
261 1 27 THR H 1 27 THR HB 2.000 . 3.500 2.458 2.223 2.927 . 0 0 "[ . 1 . 2]" 1
262 1 27 THR HB 1 28 ALA H 2.000 . 3.500 2.829 2.496 3.543 0.043 20 0 "[ . 1 . 2]" 1
263 1 27 THR HB 1 31 VAL QG 2.000 . 7.400 4.224 3.628 5.021 . 0 0 "[ . 1 . 2]" 1
264 1 27 THR H 1 27 THR MG 2.000 . 4.500 3.620 2.638 3.768 . 0 0 "[ . 1 . 2]" 1
265 1 27 THR MG 1 28 ALA H 2.000 . 6.000 3.431 2.031 3.971 . 0 0 "[ . 1 . 2]" 1
266 1 27 THR MG 1 31 VAL H 2.000 . 6.000 4.235 3.627 4.684 . 0 0 "[ . 1 . 2]" 1
267 1 27 THR H 1 28 ALA H 2.000 . 3.500 2.452 2.188 2.686 . 0 0 "[ . 1 . 2]" 1
268 1 27 THR H 1 28 ALA MB 2.000 . 6.000 4.083 3.817 4.279 . 0 0 "[ . 1 . 2]" 1
269 1 27 THR MG 1 29 ASN H 2.000 . 6.000 4.791 4.242 4.980 . 0 0 "[ . 1 . 2]" 1
270 1 27 THR MG 1 30 ASP QB 2.000 . 7.000 4.123 3.439 4.930 . 0 0 "[ . 1 . 2]" 1
271 1 27 THR MG 1 31 VAL QG 2.000 . 8.400 2.464 1.721 3.203 0.079 16 0 "[ . 1 . 2]" 1
272 1 28 ALA HA 1 29 ASN H 2.000 . 3.500 3.483 3.411 3.535 0.035 20 0 "[ . 1 . 2]" 1
273 1 28 ALA HA 1 31 VAL HB 2.000 . 3.500 2.504 2.369 2.681 . 0 0 "[ . 1 . 2]" 1
274 1 28 ALA HA 1 31 VAL MG1 2.000 . 4.500 3.681 3.557 3.760 . 0 0 "[ . 1 . 2]" 1
275 1 28 ALA HA 1 31 VAL MG2 2.000 . 4.500 2.745 1.864 3.387 . 0 0 "[ . 1 . 2]" 1
276 1 28 ALA MB 1 29 ASN H 2.000 . 4.500 2.847 2.656 3.055 . 0 0 "[ . 1 . 2]" 1
277 1 28 ALA H 1 28 ALA MB 2.000 . 4.500 2.127 2.029 2.244 . 0 0 "[ . 1 . 2]" 1
278 1 28 ALA MB 1 31 VAL QG 2.000 . 8.400 3.731 3.176 4.041 . 0 0 "[ . 1 . 2]" 1
279 1 28 ALA H 1 29 ASN H 2.000 . 3.500 2.589 2.388 2.826 . 0 0 "[ . 1 . 2]" 1
280 1 28 ALA HA 1 32 PHE H 2.000 . 5.000 3.928 3.392 4.478 . 0 0 "[ . 1 . 2]" 1
281 1 28 ALA HA 1 32 PHE QD 2.000 . 7.400 6.374 5.428 6.850 . 0 0 "[ . 1 . 2]" 1
282 1 28 ALA MB 1 29 ASN HA 2.000 . 6.000 3.837 3.746 3.905 . 0 0 "[ . 1 . 2]" 1
283 1 29 ASN HA 1 30 ASP H 2.000 . 3.500 3.549 3.515 3.560 0.060 13 0 "[ . 1 . 2]" 1
284 1 29 ASN HA 1 30 ASP QB 2.000 . 6.000 5.240 5.198 5.339 . 0 0 "[ . 1 . 2]" 1
285 1 29 ASN HA 1 32 PHE QD 2.000 . 5.900 3.932 2.562 4.940 . 0 0 "[ . 1 . 2]" 1
286 1 29 ASN HA 1 32 PHE H 2.000 . 3.500 3.493 3.415 3.545 0.045 16 0 "[ . 1 . 2]" 1
287 1 29 ASN H 1 29 ASN QB 2.000 . 4.500 2.269 2.049 2.862 . 0 0 "[ . 1 . 2]" 1
288 1 29 ASN QB 1 30 ASP H 2.000 . 6.000 2.470 1.844 3.414 . 0 0 "[ . 1 . 2]" 1
289 1 29 ASN H 1 29 ASN QD 2.000 . 4.500 3.139 2.266 3.922 . 0 0 "[ . 1 . 2]" 1
290 1 29 ASN QB 1 32 PHE H 2.000 . 6.000 4.897 4.682 5.106 . 0 0 "[ . 1 . 2]" 1
291 1 29 ASN QD 1 30 ASP H 2.000 . 6.000 4.070 2.758 4.787 . 0 0 "[ . 1 . 2]" 1
292 1 30 ASP HA 1 31 VAL H 2.000 . 3.500 3.502 3.443 3.533 0.033 11 0 "[ . 1 . 2]" 1
293 1 30 ASP HA 1 31 VAL QG 2.000 . 7.400 4.788 4.641 4.920 . 0 0 "[ . 1 . 2]" 1
294 1 30 ASP HA 1 32 PHE H 2.000 . 5.000 4.631 4.223 4.996 . 0 0 "[ . 1 . 2]" 1
295 1 30 ASP HA 1 32 PHE QD 2.000 . 7.400 6.250 4.666 6.874 . 0 0 "[ . 1 . 2]" 1
296 1 30 ASP H 1 30 ASP QB 2.000 . 4.500 2.166 2.066 2.356 . 0 0 "[ . 1 . 2]" 1
297 1 30 ASP QB 1 31 VAL H 2.000 . 4.500 2.732 2.551 2.982 . 0 0 "[ . 1 . 2]" 1
298 1 30 ASP QB 1 31 VAL QG 2.000 . 7.400 3.250 2.945 3.475 . 0 0 "[ . 1 . 2]" 1
299 1 30 ASP HA 1 33 ASN QB 2.000 . 4.500 2.791 2.348 3.248 . 0 0 "[ . 1 . 2]" 1
300 1 30 ASP HA 1 33 ASN QD 2.000 . 6.000 4.088 2.263 5.164 . 0 0 "[ . 1 . 2]" 1
301 1 30 ASP QB 1 33 ASN H 2.000 . 6.000 4.928 4.623 5.241 . 0 0 "[ . 1 . 2]" 1
302 1 31 VAL HA 1 32 PHE H 2.000 . 3.500 3.538 3.507 3.556 0.056 3 0 "[ . 1 . 2]" 1
303 1 31 VAL HA 1 34 PHE QB 2.000 . 4.500 2.425 1.892 2.968 . 0 0 "[ . 1 . 2]" 1
304 1 31 VAL HA 1 34 PHE QD 2.000 . 7.400 3.813 2.066 4.666 . 0 0 "[ . 1 . 2]" 1
305 1 31 VAL HA 1 34 PHE H 2.000 . 3.500 3.205 2.857 3.509 0.009 14 0 "[ . 1 . 2]" 1
306 1 31 VAL HA 1 35 LEU H 2.000 . 5.000 4.394 3.502 4.788 . 0 0 "[ . 1 . 2]" 1
307 1 31 VAL H 1 31 VAL HB 2.000 . 3.500 2.454 2.292 2.661 . 0 0 "[ . 1 . 2]" 1
308 1 31 VAL HB 1 32 PHE H 2.000 . 3.500 2.430 2.276 2.645 . 0 0 "[ . 1 . 2]" 1
309 1 31 VAL HB 1 33 ASN H 2.000 . 5.000 4.748 4.549 5.014 0.014 17 0 "[ . 1 . 2]" 1
310 1 31 VAL H 1 31 VAL QG 2.000 . 5.900 2.275 1.937 2.540 . 0 0 "[ . 1 . 2]" 1
311 1 31 VAL MG1 1 32 PHE H 2.000 . 4.500 3.161 2.631 3.603 . 0 0 "[ . 1 . 2]" 1
312 1 31 VAL MG2 1 32 PHE H 2.000 . 4.500 3.796 3.656 3.876 . 0 0 "[ . 1 . 2]" 1
313 1 31 VAL QG 1 32 PHE QD 2.000 . 9.800 4.648 3.666 5.373 . 0 0 "[ . 1 . 2]" 1
314 1 31 VAL QG 1 33 ASN H 2.000 . 7.400 4.290 4.074 4.675 . 0 0 "[ . 1 . 2]" 1
315 1 31 VAL HB 1 32 PHE QB 2.000 . 6.000 4.021 3.948 4.126 . 0 0 "[ . 1 . 2]" 1
316 1 31 VAL H 1 32 PHE H 2.000 . 5.000 2.672 2.529 2.771 . 0 0 "[ . 1 . 2]" 1
317 1 31 VAL HB 1 32 PHE HA 2.000 . 5.000 4.274 4.069 4.513 . 0 0 "[ . 1 . 2]" 1
318 1 32 PHE HA 1 33 ASN QB 2.000 . 6.000 5.204 5.009 5.357 . 0 0 "[ . 1 . 2]" 1
319 1 32 PHE HA 1 33 ASN H 2.000 . 3.500 3.473 3.387 3.534 0.034 14 0 "[ . 1 . 2]" 1
320 1 32 PHE HA 1 34 PHE H 2.000 . 5.000 4.230 3.837 4.731 . 0 0 "[ . 1 . 2]" 1
321 1 32 PHE HA 1 35 LEU QD 2.000 . 5.900 3.349 1.877 4.214 . 0 0 "[ . 1 . 2]" 1
322 1 32 PHE HA 1 35 LEU H 2.000 . 5.000 3.774 2.991 4.435 . 0 0 "[ . 1 . 2]" 1
323 1 32 PHE H 1 32 PHE QB 2.000 . 4.500 2.175 2.048 2.262 . 0 0 "[ . 1 . 2]" 1
324 1 32 PHE QB 1 33 ASN H 2.000 . 4.500 2.898 2.581 3.233 . 0 0 "[ . 1 . 2]" 1
325 1 32 PHE H 1 32 PHE QD 2.000 . 7.400 3.982 3.383 4.175 . 0 0 "[ . 1 . 2]" 1
326 1 32 PHE QD 1 33 ASN H 2.000 . 7.400 3.956 2.471 4.638 . 0 0 "[ . 1 . 2]" 1
327 1 32 PHE H 1 33 ASN QB 2.000 . 6.000 4.491 4.329 4.794 . 0 0 "[ . 1 . 2]" 1
328 1 32 PHE QD 1 36 LYS QB 2.000 . 8.400 4.887 3.164 6.500 . 0 0 "[ . 1 . 2]" 1
329 1 32 PHE QD 1 36 LYS QG 2.000 . 8.400 5.331 3.521 6.849 . 0 0 "[ . 1 . 2]" 1
330 1 32 PHE QD 1 36 LYS QD 2.000 . 8.400 4.965 3.596 6.410 . 0 0 "[ . 1 . 2]" 1
331 1 32 PHE QD 1 35 LEU HG 2.000 . 7.400 5.573 3.665 6.855 . 0 0 "[ . 1 . 2]" 1
332 1 32 PHE QE 1 36 LYS QB 2.000 . 8.400 4.986 2.648 6.848 . 0 0 "[ . 1 . 2]" 1
333 1 32 PHE H 1 33 ASN H 2.000 . 5.000 2.715 2.568 2.941 . 0 0 "[ . 1 . 2]" 1
334 1 33 ASN HA 1 34 PHE H 2.000 . 3.500 3.449 3.192 3.545 0.045 2 0 "[ . 1 . 2]" 1
335 1 33 ASN HA 1 35 LEU H 2.000 . 5.000 4.093 3.559 4.895 . 0 0 "[ . 1 . 2]" 1
336 1 33 ASN H 1 33 ASN QB 2.000 . 4.500 2.231 2.092 2.484 . 0 0 "[ . 1 . 2]" 1
337 1 33 ASN QB 1 34 PHE H 2.000 . 4.500 2.936 2.564 3.507 . 0 0 "[ . 1 . 2]" 1
338 1 33 ASN QD 1 34 PHE H 2.000 . 6.000 4.886 3.347 5.349 . 0 0 "[ . 1 . 2]" 1
339 1 33 ASN HA 1 36 LYS H 2.000 . 5.000 4.157 2.935 4.987 . 0 0 "[ . 1 . 2]" 1
340 1 33 ASN HA 1 36 LYS QB 2.000 . 4.500 3.227 2.127 3.926 . 0 0 "[ . 1 . 2]" 1
341 1 33 ASN HA 1 36 LYS QD 2.000 . 6.000 2.722 1.780 4.076 0.020 10 0 "[ . 1 . 2]" 1
342 1 33 ASN HA 1 36 LYS QE 2.000 . 6.000 3.910 1.847 5.309 . 0 0 "[ . 1 . 2]" 1
343 1 34 PHE HA 1 35 LEU H 2.000 . 3.500 3.473 3.218 3.552 0.052 19 0 "[ . 1 . 2]" 1
344 1 34 PHE H 1 34 PHE QB 2.000 . 3.500 2.193 2.044 2.387 . 0 0 "[ . 1 . 2]" 1
345 1 34 PHE QB 1 35 LEU H 2.000 . 4.500 2.866 2.325 3.474 . 0 0 "[ . 1 . 2]" 1
346 1 34 PHE H 1 34 PHE QD 2.000 . 7.400 3.552 2.507 4.193 . 0 0 "[ . 1 . 2]" 1
347 1 34 PHE H 1 35 LEU H 2.000 . 3.500 2.508 2.105 2.705 . 0 0 "[ . 1 . 2]" 1
348 1 34 PHE QD 1 35 LEU HA 2.000 . 7.400 4.936 2.892 5.977 . 0 0 "[ . 1 . 2]" 1
349 1 34 PHE QD 1 35 LEU QB 2.000 . 8.400 4.781 2.588 6.223 . 0 0 "[ . 1 . 2]" 1
350 1 34 PHE QD 1 35 LEU QD 2.000 . 9.800 4.116 1.858 6.243 . 0 0 "[ . 1 . 2]" 1
351 1 34 PHE H 1 35 LEU QD 2.000 . 7.400 4.300 2.929 5.516 . 0 0 "[ . 1 . 2]" 1
352 1 34 PHE H 1 35 LEU QB 2.000 . 6.000 4.732 4.171 5.409 . 0 0 "[ . 1 . 2]" 1
353 1 35 LEU HA 1 36 LYS H 2.000 . 3.500 3.015 2.243 3.554 0.054 18 0 "[ . 1 . 2]" 1
354 1 35 LEU H 1 35 LEU QB 2.000 . 4.500 2.681 2.102 3.299 . 0 0 "[ . 1 . 2]" 1
355 1 35 LEU QB 1 36 LYS H 2.000 . 6.000 3.343 1.922 4.049 . 0 0 "[ . 1 . 2]" 1
356 1 35 LEU QD 1 36 LYS H 2.000 . 5.900 3.892 2.565 4.515 . 0 0 "[ . 1 . 2]" 1
357 1 35 LEU H 1 35 LEU QD 2.000 . 5.900 2.979 2.088 4.020 . 0 0 "[ . 1 . 2]" 1
358 1 35 LEU H 1 36 LYS H 2.000 . 3.500 2.813 2.059 3.509 0.009 7 0 "[ . 1 . 2]" 1
359 1 35 LEU HG 1 36 LYS H 2.000 . 5.000 4.116 2.196 4.963 . 0 0 "[ . 1 . 2]" 1
360 1 36 LYS HA 1 37 PRO QB 2.000 . 6.000 4.998 4.578 5.481 . 0 0 "[ . 1 . 2]" 1
361 1 36 LYS HA 1 37 PRO QG 2.000 . 6.000 4.392 3.672 5.327 . 0 0 "[ . 1 . 2]" 1
362 1 36 LYS HA 1 37 PRO QD 2.000 . 6.000 2.546 1.774 3.539 0.026 14 0 "[ . 1 . 2]" 1
363 1 36 LYS H 1 36 LYS QB 2.000 . 4.500 2.663 2.048 3.272 . 0 0 "[ . 1 . 2]" 1
364 1 36 LYS H 1 36 LYS QG 2.000 . 4.500 3.264 1.879 4.080 . 0 0 "[ . 1 . 2]" 1
365 1 36 LYS H 1 36 LYS QD 2.000 . 4.500 3.633 2.339 4.131 . 0 0 "[ . 1 . 2]" 1
366 1 36 LYS H 1 37 PRO QD 2.000 . 3.500 2.558 1.789 3.275 0.011 15 0 "[ . 1 . 2]" 1
367 1 36 LYS QB 1 37 PRO QD 2.000 . 7.000 3.165 1.786 3.836 0.014 3 0 "[ . 1 . 2]" 1
368 1 36 LYS QD 1 37 PRO QD 2.000 . 7.000 4.312 2.117 5.560 . 0 0 "[ . 1 . 2]" 1
369 1 37 PRO HA 1 38 LYS H 2.000 . 3.500 2.742 2.162 3.553 0.053 6 0 "[ . 1 . 2]" 1
370 1 37 PRO QG 1 40 ARG H 2.000 . 6.000 3.960 2.578 5.344 . 0 0 "[ . 1 . 2]" 1
371 1 37 PRO QD 1 40 ARG H 2.000 . 6.000 5.027 3.975 5.431 . 0 0 "[ . 1 . 2]" 1
372 1 38 LYS HA 1 39 LYS H 2.000 . 3.500 3.270 2.413 3.550 0.050 3 0 "[ . 1 . 2]" 1
373 1 38 LYS H 1 38 LYS QB 2.000 . 4.500 2.685 2.071 3.481 . 0 0 "[ . 1 . 2]" 1
374 1 38 LYS H 1 38 LYS QG 2.000 . 4.500 2.788 1.828 3.971 . 0 0 "[ . 1 . 2]" 1
375 1 38 LYS H 1 38 LYS QD 2.000 . 4.500 3.422 2.291 4.099 . 0 0 "[ . 1 . 2]" 1
376 1 38 LYS H 1 39 LYS H 2.000 . 5.000 2.884 1.852 4.450 . 0 0 "[ . 1 . 2]" 1
377 1 38 LYS QB 1 39 LYS H 2.000 . 6.000 3.076 1.993 4.053 . 0 0 "[ . 1 . 2]" 1
378 1 39 LYS HA 1 40 ARG H 2.000 . 5.000 3.146 2.229 3.570 . 0 0 "[ . 1 . 2]" 1
379 1 39 LYS H 1 39 LYS QB 2.000 . 4.500 2.810 2.066 3.292 . 0 0 "[ . 1 . 2]" 1
380 1 39 LYS H 1 39 LYS QG 2.000 . 4.500 2.470 1.910 3.712 . 0 0 "[ . 1 . 2]" 1
381 1 39 LYS H 1 39 LYS QD 2.000 . 4.500 3.344 2.192 4.100 . 0 0 "[ . 1 . 2]" 1
382 1 39 LYS H 1 39 LYS QE 2.000 . 5.000 3.826 2.834 4.513 . 0 0 "[ . 1 . 2]" 1
383 1 39 LYS H 1 40 ARG H 2.000 . 5.000 2.686 1.874 3.658 . 0 0 "[ . 1 . 2]" 1
384 1 40 ARG HA 1 41 LYS H 2.000 . 5.000 2.640 2.140 3.572 . 0 0 "[ . 1 . 2]" 1
385 1 40 ARG H 1 40 ARG QB 2.000 . 4.500 2.907 2.072 3.479 . 0 0 "[ . 1 . 2]" 1
386 1 40 ARG H 1 40 ARG QG 2.000 . 6.000 3.363 2.141 4.221 . 0 0 "[ . 1 . 2]" 1
387 1 41 LYS HA 1 42 ALA H 2.000 . 5.000 2.652 2.141 3.568 . 0 0 "[ . 1 . 2]" 1
388 1 41 LYS H 1 41 LYS QB 2.000 . 4.500 2.690 2.070 3.467 . 0 0 "[ . 1 . 2]" 1
389 1 41 LYS H 1 41 LYS QG 2.000 . 4.500 2.747 1.842 4.063 . 0 0 "[ . 1 . 2]" 1
390 1 41 LYS H 1 41 LYS QD 2.000 . 4.500 3.515 2.215 4.077 . 0 0 "[ . 1 . 2]" 1
391 1 42 ALA H 1 42 ALA MB 2.000 . 5.000 2.506 2.028 3.011 . 0 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 50
_Distance_constraint_stats_list.Viol_count 155
_Distance_constraint_stats_list.Viol_total 72.226
_Distance_constraint_stats_list.Viol_max 0.143
_Distance_constraint_stats_list.Viol_rms 0.0121
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0036
_Distance_constraint_stats_list.Viol_average_violations_only 0.0233
_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 4 PRO 0.082 0.041 11 0 "[ . 1 . 2]"
1 5 ILE 0.013 0.013 14 0 "[ . 1 . 2]"
1 6 LYS 0.009 0.006 4 0 "[ . 1 . 2]"
1 7 ALA 0.015 0.015 4 0 "[ . 1 . 2]"
1 8 ILE 0.099 0.041 11 0 "[ . 1 . 2]"
1 9 LYS 0.086 0.020 2 0 "[ . 1 . 2]"
1 10 THR 0.038 0.027 1 0 "[ . 1 . 2]"
1 11 VAL 0.015 0.015 4 0 "[ . 1 . 2]"
1 12 GLY 0.250 0.039 14 0 "[ . 1 . 2]"
1 13 LYS 0.091 0.020 2 0 "[ . 1 . 2]"
1 14 ALA 0.065 0.027 1 0 "[ . 1 . 2]"
1 15 VAL 0.063 0.026 8 0 "[ . 1 . 2]"
1 16 GLY 0.383 0.042 14 0 "[ . 1 . 2]"
1 17 LYS 0.054 0.018 9 0 "[ . 1 . 2]"
1 18 GLY 0.280 0.036 8 0 "[ . 1 . 2]"
1 19 LEU 0.994 0.143 7 0 "[ . 1 . 2]"
1 20 ARG 0.302 0.049 14 0 "[ . 1 . 2]"
1 21 ALA 0.160 0.056 1 0 "[ . 1 . 2]"
1 22 ILE 0.514 0.067 20 0 "[ . 1 . 2]"
1 23 ASN 1.260 0.143 7 0 "[ . 1 . 2]"
1 24 ILE 0.597 0.059 6 0 "[ . 1 . 2]"
1 25 ALA 0.124 0.056 1 0 "[ . 1 . 2]"
1 26 SER 0.270 0.067 20 0 "[ . 1 . 2]"
1 27 THR 0.329 0.067 10 0 "[ . 1 . 2]"
1 28 ALA 0.503 0.059 6 0 "[ . 1 . 2]"
1 29 ASN 0.107 0.027 2 0 "[ . 1 . 2]"
1 30 ASP 0.114 0.035 20 0 "[ . 1 . 2]"
1 31 VAL 0.065 0.037 8 0 "[ . 1 . 2]"
1 32 PHE 0.056 0.017 10 0 "[ . 1 . 2]"
1 33 ASN 0.107 0.027 2 0 "[ . 1 . 2]"
1 34 PHE 0.114 0.035 20 0 "[ . 1 . 2]"
1 35 LEU 0.065 0.037 8 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 4 PRO O 1 8 ILE H 2.000 . 2.400 2.081 1.784 2.408 0.008 7 0 "[ . 1 . 2]" 2
2 1 4 PRO O 1 8 ILE N 3.000 2.700 3.400 2.968 2.659 3.280 0.041 11 0 "[ . 1 . 2]" 2
3 1 5 ILE O 1 9 LYS H 2.000 . 2.400 2.249 1.764 2.413 0.013 14 0 "[ . 1 . 2]" 2
4 1 5 ILE O 1 9 LYS N 3.000 2.700 3.400 3.124 2.704 3.342 . 0 0 "[ . 1 . 2]" 2
5 1 6 LYS O 1 10 THR H 2.000 . 2.400 2.297 1.972 2.406 0.006 4 0 "[ . 1 . 2]" 2
6 1 6 LYS O 1 10 THR N 3.000 2.700 3.400 3.160 2.862 3.318 . 0 0 "[ . 1 . 2]" 2
7 1 7 ALA O 1 11 VAL H 2.000 . 2.400 2.270 2.036 2.415 0.015 4 0 "[ . 1 . 2]" 2
8 1 7 ALA O 1 11 VAL N 3.000 2.700 3.400 3.171 2.865 3.321 . 0 0 "[ . 1 . 2]" 2
9 1 8 ILE O 1 12 GLY H 2.000 . 2.400 2.177 1.819 2.409 0.009 6 0 "[ . 1 . 2]" 2
10 1 8 ILE O 1 12 GLY N 3.000 2.700 3.400 3.068 2.706 3.334 . 0 0 "[ . 1 . 2]" 2
11 1 9 LYS O 1 13 LYS H 2.000 . 2.400 2.231 1.980 2.420 0.020 2 0 "[ . 1 . 2]" 2
12 1 9 LYS O 1 13 LYS N 3.000 2.700 3.400 3.042 2.699 3.270 0.001 18 0 "[ . 1 . 2]" 2
13 1 10 THR O 1 14 ALA H 2.000 . 2.400 2.228 1.990 2.427 0.027 1 0 "[ . 1 . 2]" 2
14 1 10 THR O 1 14 ALA N 3.000 2.700 3.400 3.011 2.800 3.313 . 0 0 "[ . 1 . 2]" 2
15 1 11 VAL O 1 15 VAL H 2.000 . 2.400 2.095 1.749 2.392 . 0 0 "[ . 1 . 2]" 2
16 1 11 VAL O 1 15 VAL N 3.000 2.700 3.400 3.037 2.703 3.329 . 0 0 "[ . 1 . 2]" 2
17 1 12 GLY O 1 16 GLY H 2.000 . 2.400 2.376 2.133 2.439 0.039 14 0 "[ . 1 . 2]" 2
18 1 12 GLY O 1 16 GLY N 3.000 2.700 3.400 3.180 2.874 3.348 . 0 0 "[ . 1 . 2]" 2
19 1 13 LYS O 1 17 LYS H 2.000 . 2.400 2.161 1.940 2.383 . 0 0 "[ . 1 . 2]" 2
20 1 13 LYS O 1 17 LYS N 3.000 2.700 3.400 2.982 2.682 3.308 0.018 18 0 "[ . 1 . 2]" 2
21 1 14 ALA O 1 18 GLY H 2.000 . 2.400 2.118 1.833 2.410 0.010 13 0 "[ . 1 . 2]" 2
22 1 14 ALA O 1 18 GLY N 3.000 2.700 3.400 3.006 2.673 3.357 0.027 2 0 "[ . 1 . 2]" 2
23 1 15 VAL O 1 19 LEU H 2.000 . 2.400 2.262 1.871 2.426 0.026 8 0 "[ . 1 . 2]" 2
24 1 15 VAL O 1 19 LEU N 3.000 2.700 3.400 3.175 2.740 3.402 0.002 8 0 "[ . 1 . 2]" 2
25 1 16 GLY O 1 20 ARG H 2.000 . 2.400 2.308 1.869 2.442 0.042 14 0 "[ . 1 . 2]" 2
26 1 16 GLY O 1 20 ARG N 3.000 2.700 3.400 3.218 2.717 3.404 0.004 14 0 "[ . 1 . 2]" 2
27 1 17 LYS O 1 21 ALA H 2.000 . 2.400 2.014 1.773 2.407 0.007 4 0 "[ . 1 . 2]" 2
28 1 17 LYS O 1 21 ALA N 3.000 2.700 3.400 2.892 2.682 3.386 0.018 9 0 "[ . 1 . 2]" 2
29 1 18 GLY O 1 22 ILE H 2.000 . 2.400 2.395 2.274 2.436 0.036 8 0 "[ . 1 . 2]" 2
30 1 18 GLY O 1 22 ILE N 3.000 2.700 3.400 3.195 3.038 3.334 . 0 0 "[ . 1 . 2]" 2
31 1 19 LEU O 1 23 ASN H 2.000 . 2.400 2.443 2.354 2.543 0.143 7 0 "[ . 1 . 2]" 2
32 1 19 LEU O 1 23 ASN N 3.000 2.700 3.400 3.106 2.957 3.316 . 0 0 "[ . 1 . 2]" 2
33 1 20 ARG O 1 24 ILE H 2.000 . 2.400 2.122 1.717 2.449 0.049 14 0 "[ . 1 . 2]" 2
34 1 20 ARG O 1 24 ILE N 3.000 2.700 3.400 3.051 2.659 3.372 0.041 1 0 "[ . 1 . 2]" 2
35 1 21 ALA O 1 25 ALA H 2.000 . 2.400 2.338 2.164 2.456 0.056 1 0 "[ . 1 . 2]" 2
36 1 21 ALA O 1 25 ALA N 3.000 2.700 3.400 3.057 2.867 3.239 . 0 0 "[ . 1 . 2]" 2
37 1 22 ILE O 1 26 SER H 2.000 . 2.400 2.197 2.069 2.455 0.055 8 0 "[ . 1 . 2]" 2
38 1 22 ILE O 1 26 SER N 3.000 2.700 3.400 2.754 2.633 2.984 0.067 20 0 "[ . 1 . 2]" 2
39 1 23 ASN O 1 27 THR H 2.000 . 2.400 1.880 1.687 2.143 0.013 1 0 "[ . 1 . 2]" 2
40 1 23 ASN O 1 27 THR N 3.000 2.700 3.400 2.764 2.633 2.966 0.067 10 0 "[ . 1 . 2]" 2
41 1 24 ILE O 1 28 ALA H 2.000 . 2.400 2.395 2.228 2.459 0.059 6 0 "[ . 1 . 2]" 2
42 1 24 ILE O 1 28 ALA N 3.000 2.700 3.400 3.245 2.967 3.394 . 0 0 "[ . 1 . 2]" 2
43 1 28 ALA O 1 32 PHE H 2.000 . 2.400 1.985 1.739 2.389 . 0 0 "[ . 1 . 2]" 2
44 1 28 ALA O 1 32 PHE N 3.000 2.700 3.400 2.894 2.683 3.334 0.017 10 0 "[ . 1 . 2]" 2
45 1 29 ASN O 1 33 ASN H 2.000 . 2.400 2.278 1.852 2.427 0.027 2 0 "[ . 1 . 2]" 2
46 1 29 ASN O 1 33 ASN N 3.000 2.700 3.400 3.097 2.773 3.326 . 0 0 "[ . 1 . 2]" 2
47 1 30 ASP O 1 34 PHE H 2.000 . 2.400 2.265 1.920 2.434 0.034 14 0 "[ . 1 . 2]" 2
48 1 30 ASP O 1 34 PHE N 3.000 2.700 3.400 2.973 2.665 3.296 0.035 20 0 "[ . 1 . 2]" 2
49 1 31 VAL O 1 35 LEU H 2.000 . 2.400 2.290 1.788 2.437 0.037 8 0 "[ . 1 . 2]" 2
50 1 31 VAL O 1 35 LEU N 3.000 2.700 3.400 3.115 2.752 3.359 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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