NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | in_recoord | in_dress | stage | program | type | subtype | subsubtype |
|
|
470211 |
1ajw   |
cing | recoord | dress | 4-filtered-FRED | Wattos | check | violation | distance |
data_1ajw
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 440
_Distance_constraint_stats_list.Viol_count 742
_Distance_constraint_stats_list.Viol_total 640.316
_Distance_constraint_stats_list.Viol_max 0.262
_Distance_constraint_stats_list.Viol_rms 0.0172
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0036
_Distance_constraint_stats_list.Viol_average_violations_only 0.0431
_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 3 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 ALA 0.204 0.068 20 0 "[ . 1 . 2]"
1 5 ASP 0.204 0.068 20 0 "[ . 1 . 2]"
1 6 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 ASN 0.080 0.080 1 0 "[ . 1 . 2]"
1 8 VAL 0.080 0.080 1 0 "[ . 1 . 2]"
1 9 PRO 0.018 0.018 13 0 "[ . 1 . 2]"
1 10 ASN 0.288 0.070 18 0 "[ . 1 . 2]"
1 11 VAL 0.153 0.061 19 0 "[ . 1 . 2]"
1 12 VAL 0.135 0.061 19 0 "[ . 1 . 2]"
1 13 VAL 0.001 0.001 12 0 "[ . 1 . 2]"
1 14 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 ARG 0.355 0.039 17 0 "[ . 1 . 2]"
1 16 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 THR 0.873 0.095 13 0 "[ . 1 . 2]"
1 18 LEU 1.820 0.227 13 0 "[ . 1 . 2]"
1 19 VAL 0.027 0.022 2 0 "[ . 1 . 2]"
1 20 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 SER 0.024 0.022 1 0 "[ . 1 . 2]"
1 22 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 ALA 0.024 0.022 1 0 "[ . 1 . 2]"
1 24 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 PRO 1.820 0.227 13 0 "[ . 1 . 2]"
1 27 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 ASP 0.037 0.018 14 0 "[ . 1 . 2]"
1 31 LEU 0.385 0.039 17 0 "[ . 1 . 2]"
1 32 THR 0.790 0.060 18 0 "[ . 1 . 2]"
1 33 GLY 0.112 0.033 2 0 "[ . 1 . 2]"
1 34 ASP 0.082 0.033 2 0 "[ . 1 . 2]"
1 35 LEU 0.806 0.060 18 0 "[ . 1 . 2]"
1 36 GLU 0.016 0.011 8 0 "[ . 1 . 2]"
1 37 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 PHE 0.037 0.018 14 0 "[ . 1 . 2]"
1 39 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 LYS 0.075 0.014 1 0 "[ . 1 . 2]"
1 41 GLN 0.346 0.184 7 0 "[ . 1 . 2]"
1 42 SER 1.419 0.184 7 0 "[ . 1 . 2]"
1 43 PHE 0.061 0.014 18 0 "[ . 1 . 2]"
1 44 VAL 0.474 0.047 7 0 "[ . 1 . 2]"
1 45 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 GLU 1.026 0.189 9 0 "[ . 1 . 2]"
1 48 GLY 0.837 0.189 9 0 "[ . 1 . 2]"
1 49 VAL 1.755 0.123 20 0 "[ . 1 . 2]"
1 50 GLU 0.026 0.015 3 0 "[ . 1 . 2]"
1 51 TYR 0.981 0.187 3 0 "[ . 1 . 2]"
1 52 ARG 0.190 0.187 3 0 "[ . 1 . 2]"
1 53 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 LYS 0.028 0.028 7 0 "[ . 1 . 2]"
1 55 ILE 0.873 0.095 13 0 "[ . 1 . 2]"
1 56 SER 0.198 0.051 10 0 "[ . 1 . 2]"
1 57 PHE 0.011 0.011 11 0 "[ . 1 . 2]"
1 58 ARG 0.001 0.001 12 0 "[ . 1 . 2]"
1 59 VAL 1.773 0.094 9 0 "[ . 1 . 2]"
1 60 ASN 0.256 0.070 18 0 "[ . 1 . 2]"
1 61 ARG 1.337 0.082 8 0 "[ . 1 . 2]"
1 62 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 MET 0.439 0.066 8 0 "[ . 1 . 2]"
1 68 LYS 0.007 0.006 1 0 "[ . 1 . 2]"
1 69 TYR 0.033 0.011 16 0 "[ . 1 . 2]"
1 70 ILE 0.028 0.028 19 0 "[ . 1 . 2]"
1 71 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 HIS 1.346 0.090 8 0 "[ . 1 . 2]"
1 73 THR 1.244 0.147 12 0 "[ . 1 . 2]"
1 74 TYR 0.102 0.032 3 0 "[ . 1 . 2]"
1 75 ARG 0.100 0.059 2 0 "[ . 1 . 2]"
1 76 LYS 0.726 0.098 19 0 "[ . 1 . 2]"
1 77 GLY 0.625 0.098 19 0 "[ . 1 . 2]"
1 78 VAL 0.054 0.022 4 0 "[ . 1 . 2]"
1 79 LYS 0.032 0.032 3 0 "[ . 1 . 2]"
1 80 ILE 0.016 0.016 7 0 "[ . 1 . 2]"
1 81 ASP 0.636 0.147 12 0 "[ . 1 . 2]"
1 82 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 THR 0.078 0.028 19 0 "[ . 1 . 2]"
1 84 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 TYR 0.032 0.015 5 0 "[ . 1 . 2]"
1 86 MET 0.439 0.066 8 0 "[ . 1 . 2]"
1 87 VAL 0.007 0.006 1 0 "[ . 1 . 2]"
1 88 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 94 ALA 1.009 0.170 3 0 "[ . 1 . 2]"
1 95 GLU 1.782 0.220 8 0 "[ . 1 . 2]"
1 96 GLU 0.773 0.220 8 0 "[ . 1 . 2]"
1 97 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 98 GLU 0.187 0.051 10 0 "[ . 1 . 2]"
1 99 PHE 0.028 0.028 7 0 "[ . 1 . 2]"
1 100 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 101 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 102 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 103 MET 0.070 0.065 2 0 "[ . 1 . 2]"
1 104 GLU 0.011 0.011 9 0 "[ . 1 . 2]"
1 105 GLU 0.298 0.040 14 0 "[ . 1 . 2]"
1 106 ALA 0.507 0.041 20 0 "[ . 1 . 2]"
1 107 PRO 0.194 0.076 5 0 "[ . 1 . 2]"
1 108 LYS 0.201 0.076 5 0 "[ . 1 . 2]"
1 109 GLY 0.432 0.122 6 0 "[ . 1 . 2]"
1 110 MET 0.824 0.176 12 0 "[ . 1 . 2]"
1 111 LEU 1.074 0.176 12 0 "[ . 1 . 2]"
1 112 ALA 0.428 0.086 13 0 "[ . 1 . 2]"
1 113 ARG 0.006 0.005 17 0 "[ . 1 . 2]"
1 114 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 115 SER 0.001 0.001 16 0 "[ . 1 . 2]"
1 116 TYR 0.479 0.066 6 0 "[ . 1 . 2]"
1 117 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 118 ILE 0.022 0.016 12 0 "[ . 1 . 2]"
1 119 LYS 0.230 0.045 11 0 "[ . 1 . 2]"
1 120 SER 0.689 0.089 9 0 "[ . 1 . 2]"
1 121 ARG 0.661 0.094 5 0 "[ . 1 . 2]"
1 122 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 123 THR 0.924 0.118 19 0 "[ . 1 . 2]"
1 124 ASP 2.196 0.202 13 0 "[ . 1 . 2]"
1 125 ASP 1.887 0.234 19 0 "[ . 1 . 2]"
1 126 ASP 3.423 0.258 11 0 "[ . 1 . 2]"
1 127 ARG 3.909 0.262 1 0 "[ . 1 . 2]"
1 128 THR 2.712 0.258 11 0 "[ . 1 . 2]"
1 129 ASP 0.049 0.029 5 0 "[ . 1 . 2]"
1 130 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 131 LEU 0.628 0.094 5 0 "[ . 1 . 2]"
1 132 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 133 TRP 1.328 0.090 11 0 "[ . 1 . 2]"
1 134 GLU 0.154 0.026 4 0 "[ . 1 . 2]"
1 135 TRP 1.196 0.090 11 0 "[ . 1 . 2]"
1 136 ASN 0.647 0.055 14 0 "[ . 1 . 2]"
1 137 LEU 0.216 0.025 13 0 "[ . 1 . 2]"
1 138 THR 1.561 0.066 6 0 "[ . 1 . 2]"
1 139 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 140 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 141 LYS 0.234 0.058 12 0 "[ . 1 . 2]"
1 142 GLU 0.059 0.029 7 0 "[ . 1 . 2]"
1 143 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 144 LYS 0.198 0.059 17 0 "[ . 1 . 2]"
1 145 ASP 0.198 0.059 17 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 SER HA 1 4 ALA H 1.800 . 6.000 2.705 2.223 3.584 . 0 0 "[ . 1 . 2]" 1
2 1 4 ALA HA 1 5 ASP H 1.800 . 3.500 2.842 2.210 3.568 0.068 20 0 "[ . 1 . 2]" 1
3 1 6 PRO HA 1 7 ASN H 1.800 . 5.000 2.983 2.268 3.591 . 0 0 "[ . 1 . 2]" 1
4 1 6 PRO QD 1 7 ASN H 1.800 . 5.000 3.932 2.476 4.983 . 0 0 "[ . 1 . 2]" 1
5 1 7 ASN HA 1 8 VAL H 1.800 . 2.900 2.578 2.205 2.980 0.080 1 0 "[ . 1 . 2]" 1
6 1 8 VAL H 1 9 PRO QD 1.800 . 5.000 3.644 2.262 4.462 . 0 0 "[ . 1 . 2]" 1
7 1 9 PRO HA 1 10 ASN H 1.800 . 2.900 2.538 2.235 2.790 . 0 0 "[ . 1 . 2]" 1
8 1 9 PRO QB 1 10 ASN H 1.800 . 5.000 2.476 1.963 3.677 . 0 0 "[ . 1 . 2]" 1
9 1 10 ASN H 1 10 ASN QB 1.800 . 2.900 2.336 2.127 2.933 0.033 19 0 "[ . 1 . 2]" 1
10 1 9 PRO QB 1 11 VAL H 1.800 . 5.000 3.863 2.442 5.018 0.018 13 0 "[ . 1 . 2]" 1
11 1 10 ASN HA 1 11 VAL H 1.800 . 5.000 3.555 3.180 3.591 . 0 0 "[ . 1 . 2]" 1
12 1 10 ASN QB 1 11 VAL H 1.800 . 5.000 2.189 1.930 3.996 . 0 0 "[ . 1 . 2]" 1
13 1 11 VAL HA 1 12 VAL H 1.800 . 2.900 2.303 2.152 2.961 0.061 19 0 "[ . 1 . 2]" 1
14 1 12 VAL HA 1 13 VAL H 1.800 . 2.900 2.269 2.219 2.365 . 0 0 "[ . 1 . 2]" 1
15 1 12 VAL QG 1 13 VAL H 1.800 . 3.400 2.410 2.151 2.631 . 0 0 "[ . 1 . 2]" 1
16 1 13 VAL H 1 13 VAL HB 1.800 . 2.900 2.460 2.422 2.663 . 0 0 "[ . 1 . 2]" 1
17 1 13 VAL H 1 13 VAL QG 1.800 . 3.400 2.009 1.934 2.108 . 0 0 "[ . 1 . 2]" 1
18 1 13 VAL HA 1 14 THR H 1.800 . 2.900 2.226 2.189 2.248 . 0 0 "[ . 1 . 2]" 1
19 1 13 VAL HA 1 15 ARG H 1.800 . 5.000 4.157 3.704 4.624 . 0 0 "[ . 1 . 2]" 1
20 1 14 THR HA 1 15 ARG H 1.800 . 5.000 3.585 3.541 3.604 . 0 0 "[ . 1 . 2]" 1
21 1 14 THR HB 1 15 ARG H 1.800 . 5.000 3.386 3.052 3.733 . 0 0 "[ . 1 . 2]" 1
22 1 15 ARG HA 1 16 LEU H 1.800 . 2.900 2.447 2.312 2.586 . 0 0 "[ . 1 . 2]" 1
23 1 16 LEU HA 1 17 THR H 1.800 . 2.900 2.263 2.210 2.445 . 0 0 "[ . 1 . 2]" 1
24 1 17 THR H 1 17 THR HB 1.800 . 3.500 2.639 2.470 2.895 . 0 0 "[ . 1 . 2]" 1
25 1 17 THR HA 1 18 LEU H 1.800 . 2.900 2.388 2.304 2.465 . 0 0 "[ . 1 . 2]" 1
26 1 17 THR HB 1 18 LEU H 1.800 . 5.000 3.684 3.484 3.986 . 0 0 "[ . 1 . 2]" 1
27 1 18 LEU HA 1 19 VAL H 1.800 . 2.900 2.291 2.206 2.418 . 0 0 "[ . 1 . 2]" 1
28 1 18 LEU QB 1 19 VAL H 1.800 . 5.000 3.766 3.574 3.914 . 0 0 "[ . 1 . 2]" 1
29 1 19 VAL HA 1 20 CYS H 1.800 . 2.900 2.374 2.208 2.464 . 0 0 "[ . 1 . 2]" 1
30 1 19 VAL HB 1 20 CYS H 1.800 . 6.000 3.834 3.630 4.391 . 0 0 "[ . 1 . 2]" 1
31 1 19 VAL QG 1 20 CYS H 1.800 . 4.000 2.142 1.881 3.006 . 0 0 "[ . 1 . 2]" 1
32 1 21 SER HA 1 22 THR H 1.800 . 5.000 3.517 3.129 3.609 . 0 0 "[ . 1 . 2]" 1
33 1 22 THR H 1 22 THR MG 1.800 . 4.000 2.836 2.278 3.152 . 0 0 "[ . 1 . 2]" 1
34 1 21 SER HA 1 23 ALA H 1.800 . 5.000 4.364 4.017 5.022 0.022 1 0 "[ . 1 . 2]" 1
35 1 21 SER QB 1 23 ALA H 1.800 . 6.000 4.846 4.114 5.671 . 0 0 "[ . 1 . 2]" 1
36 1 22 THR H 1 23 ALA MB 1.800 . 5.500 3.739 3.410 4.398 . 0 0 "[ . 1 . 2]" 1
37 1 22 THR HA 1 23 ALA H 1.800 . 5.000 3.013 2.681 3.560 . 0 0 "[ . 1 . 2]" 1
38 1 23 ALA H 1 23 ALA MB 1.800 . 3.400 2.107 1.940 2.210 . 0 0 "[ . 1 . 2]" 1
39 1 23 ALA MB 1 25 GLY H 1.800 . 4.000 2.449 2.090 2.610 . 0 0 "[ . 1 . 2]" 1
40 1 24 PRO HA 1 25 GLY H 1.800 . 5.000 3.522 3.486 3.545 . 0 0 "[ . 1 . 2]" 1
41 1 24 PRO QD 1 25 GLY H 1.800 . 5.000 2.438 2.124 2.578 . 0 0 "[ . 1 . 2]" 1
42 1 18 LEU H 1 26 PRO HA 1.800 . 2.900 2.991 2.945 3.127 0.227 13 0 "[ . 1 . 2]" 1
43 1 25 GLY H 1 26 PRO QD 1.800 . 5.000 4.363 4.196 4.404 . 0 0 "[ . 1 . 2]" 1
44 1 26 PRO HA 1 27 LEU H 1.800 . 2.900 2.271 2.210 2.337 . 0 0 "[ . 1 . 2]" 1
45 1 26 PRO QB 1 27 LEU H 1.800 . 5.000 3.723 3.460 3.835 . 0 0 "[ . 1 . 2]" 1
46 1 26 PRO QD 1 27 LEU H 1.800 . 6.000 4.753 4.633 4.942 . 0 0 "[ . 1 . 2]" 1
47 1 27 LEU H 1 27 LEU QB 1.800 . 5.000 2.355 2.227 2.418 . 0 0 "[ . 1 . 2]" 1
48 1 27 LEU H 1 27 LEU QD 1.800 . 5.500 2.760 1.929 2.995 . 0 0 "[ . 1 . 2]" 1
49 1 27 LEU H 1 27 LEU HG 1.800 . 3.500 2.157 1.977 2.969 . 0 0 "[ . 1 . 2]" 1
50 1 16 LEU H 1 28 GLU HA 1.800 . 5.000 3.938 3.650 4.310 . 0 0 "[ . 1 . 2]" 1
51 1 17 THR HA 1 28 GLU H 1.800 . 5.000 4.559 4.133 4.863 . 0 0 "[ . 1 . 2]" 1
52 1 18 LEU H 1 28 GLU HA 1.800 . 5.000 4.307 3.798 4.588 . 0 0 "[ . 1 . 2]" 1
53 1 27 LEU HA 1 28 GLU H 1.800 . 2.900 2.217 2.201 2.253 . 0 0 "[ . 1 . 2]" 1
54 1 27 LEU QD 1 28 GLU H 1.800 . 5.500 3.848 3.628 4.448 . 0 0 "[ . 1 . 2]" 1
55 1 28 GLU H 1 28 GLU QG 1.800 . 5.000 2.912 2.048 3.976 . 0 0 "[ . 1 . 2]" 1
56 1 17 THR HA 1 29 LEU H 1.800 . 5.000 3.803 3.530 4.037 . 0 0 "[ . 1 . 2]" 1
57 1 28 GLU HA 1 29 LEU H 1.800 . 2.900 2.256 2.205 2.374 . 0 0 "[ . 1 . 2]" 1
58 1 16 LEU H 1 30 ASP HA 1.800 . 5.000 4.322 3.970 4.558 . 0 0 "[ . 1 . 2]" 1
59 1 29 LEU HA 1 30 ASP H 1.800 . 2.900 2.272 2.193 2.469 . 0 0 "[ . 1 . 2]" 1
60 1 30 ASP H 1 30 ASP HB3 1.800 . 2.900 2.721 2.443 2.895 . 0 0 "[ . 1 . 2]" 1
61 1 30 ASP H 1 30 ASP HB2 1.800 . 2.900 2.322 2.077 2.672 . 0 0 "[ . 1 . 2]" 1
62 1 15 ARG HA 1 31 LEU H 1.800 . 2.900 2.914 2.831 2.939 0.039 17 0 "[ . 1 . 2]" 1
63 1 30 ASP HA 1 31 LEU H 1.800 . 2.900 2.220 2.201 2.254 . 0 0 "[ . 1 . 2]" 1
64 1 30 ASP QB 1 31 LEU H 1.800 . 6.000 3.719 3.532 3.848 . 0 0 "[ . 1 . 2]" 1
65 1 31 LEU HA 1 32 THR H 1.800 . 5.000 2.713 2.662 2.772 . 0 0 "[ . 1 . 2]" 1
66 1 31 LEU QD 1 32 THR H 1.800 . 6.500 4.506 4.184 4.601 . 0 0 "[ . 1 . 2]" 1
67 1 31 LEU HA 1 33 GLY H 1.800 . 5.000 4.650 3.632 5.010 0.010 11 0 "[ . 1 . 2]" 1
68 1 32 THR HA 1 33 GLY H 1.800 . 5.000 3.468 2.749 3.595 . 0 0 "[ . 1 . 2]" 1
69 1 33 GLY H 1 34 ASP QB 1.800 . 5.000 4.385 3.639 5.033 0.033 2 0 "[ . 1 . 2]" 1
70 1 33 GLY QA 1 34 ASP H 1.800 . 2.900 2.464 2.144 2.711 . 0 0 "[ . 1 . 2]" 1
71 1 34 ASP H 1 34 ASP QB 1.800 . 3.500 2.161 2.008 2.503 . 0 0 "[ . 1 . 2]" 1
72 1 32 THR H 1 35 LEU HA 1.800 . 5.000 5.039 5.010 5.060 0.060 18 0 "[ . 1 . 2]" 1
73 1 34 ASP HA 1 35 LEU H 1.800 . 2.900 2.406 2.209 2.592 . 0 0 "[ . 1 . 2]" 1
74 1 35 LEU H 1 36 GLU HA 1.800 . 5.000 4.946 4.812 5.011 0.011 8 0 "[ . 1 . 2]" 1
75 1 35 LEU HA 1 36 GLU H 1.800 . 5.000 3.498 3.356 3.561 . 0 0 "[ . 1 . 2]" 1
76 1 36 GLU HA 1 37 SER H 1.800 . 5.000 3.484 3.355 3.544 . 0 0 "[ . 1 . 2]" 1
77 1 37 SER H 1 37 SER QB 1.800 . 3.500 2.211 2.021 2.574 . 0 0 "[ . 1 . 2]" 1
78 1 37 SER HA 1 38 PHE H 1.800 . 5.000 3.473 3.354 3.526 . 0 0 "[ . 1 . 2]" 1
79 1 38 PHE HA 1 39 LYS H 1.800 . 5.000 3.550 3.479 3.592 . 0 0 "[ . 1 . 2]" 1
80 1 38 PHE QB 1 39 LYS H 1.800 . 5.000 2.503 2.065 2.968 . 0 0 "[ . 1 . 2]" 1
81 1 39 LYS HA 1 40 LYS H 1.800 . 5.000 3.488 3.444 3.542 . 0 0 "[ . 1 . 2]" 1
82 1 39 LYS HA 1 41 GLN H 1.800 . 5.000 4.054 3.561 4.434 . 0 0 "[ . 1 . 2]" 1
83 1 40 LYS HA 1 41 GLN H 1.800 . 3.500 3.236 2.654 3.514 0.014 1 0 "[ . 1 . 2]" 1
84 1 41 GLN H 1 41 GLN QG 1.800 . 5.000 2.826 1.958 4.232 . 0 0 "[ . 1 . 2]" 1
85 1 41 GLN HA 1 42 SER H 1.800 . 2.900 2.339 2.202 2.979 0.079 7 0 "[ . 1 . 2]" 1
86 1 41 GLN QB 1 42 SER H 1.800 . 3.500 3.109 2.100 3.684 0.184 7 0 "[ . 1 . 2]" 1
87 1 41 GLN QG 1 42 SER H 1.800 . 5.000 3.735 1.956 4.526 . 0 0 "[ . 1 . 2]" 1
88 1 42 SER H 1 42 SER QB 1.800 . 3.500 2.984 2.249 3.277 . 0 0 "[ . 1 . 2]" 1
89 1 42 SER HA 1 43 PHE H 1.800 . 2.900 2.418 2.204 2.730 . 0 0 "[ . 1 . 2]" 1
90 1 42 SER QB 1 43 PHE H 1.800 . 5.000 2.715 1.974 3.467 . 0 0 "[ . 1 . 2]" 1
91 1 43 PHE H 1 43 PHE QB 1.800 . 3.500 2.223 2.075 2.389 . 0 0 "[ . 1 . 2]" 1
92 1 43 PHE HA 1 44 VAL H 1.800 . 2.900 2.243 2.198 2.446 . 0 0 "[ . 1 . 2]" 1
93 1 43 PHE QB 1 44 VAL H 1.800 . 5.000 3.466 2.534 3.838 . 0 0 "[ . 1 . 2]" 1
94 1 44 VAL H 1 44 VAL HB 1.800 . 2.900 2.422 2.364 2.575 . 0 0 "[ . 1 . 2]" 1
95 1 44 VAL HA 1 45 LEU H 1.800 . 2.900 2.252 2.196 2.365 . 0 0 "[ . 1 . 2]" 1
96 1 46 LYS HA 1 47 GLU H 1.800 . 2.900 2.330 2.221 2.479 . 0 0 "[ . 1 . 2]" 1
97 1 47 GLU H 1 47 GLU QG 1.800 . 3.500 2.290 1.965 2.543 . 0 0 "[ . 1 . 2]" 1
98 1 47 GLU QB 1 48 GLY H 1.800 . 3.500 2.941 1.894 3.689 0.189 9 0 "[ . 1 . 2]" 1
99 1 48 GLY H 1 139 ILE MG 1.800 . 5.500 3.900 2.371 5.169 . 0 0 "[ . 1 . 2]" 1
100 1 48 GLY QA 1 49 VAL H 1.800 . 5.000 2.541 2.408 2.800 . 0 0 "[ . 1 . 2]" 1
101 1 49 VAL H 1 49 VAL HB 1.800 . 3.500 3.588 3.564 3.623 0.123 20 0 "[ . 1 . 2]" 1
102 1 49 VAL HA 1 50 GLU H 1.800 . 2.900 2.381 2.167 2.842 . 0 0 "[ . 1 . 2]" 1
103 1 19 VAL H 1 51 TYR HA 1.800 . 6.000 5.551 4.685 6.022 0.022 2 0 "[ . 1 . 2]" 1
104 1 50 GLU HA 1 51 TYR H 1.800 . 2.900 2.303 2.222 2.353 . 0 0 "[ . 1 . 2]" 1
105 1 51 TYR H 1 51 TYR QD 1.800 . 3.500 2.544 2.060 3.598 0.098 3 0 "[ . 1 . 2]" 1
106 1 51 TYR H 1 51 TYR QE 1.800 . 6.000 4.040 3.813 5.721 . 0 0 "[ . 1 . 2]" 1
107 1 20 CYS HA 1 52 ARG H 1.800 . 5.000 3.336 2.875 3.835 . 0 0 "[ . 1 . 2]" 1
108 1 51 TYR HA 1 52 ARG H 1.800 . 2.900 2.256 2.162 2.464 . 0 0 "[ . 1 . 2]" 1
109 1 51 TYR QB 1 52 ARG H 1.800 . 3.500 2.977 2.421 3.687 0.187 3 0 "[ . 1 . 2]" 1
110 1 52 ARG H 1 52 ARG QD 1.800 . 5.000 4.308 3.778 4.782 . 0 0 "[ . 1 . 2]" 1
111 1 17 THR H 1 53 ILE HA 1.800 . 6.000 4.935 4.545 5.540 . 0 0 "[ . 1 . 2]" 1
112 1 19 VAL H 1 53 ILE HA 1.800 . 5.000 3.496 3.123 3.876 . 0 0 "[ . 1 . 2]" 1
113 1 52 ARG HA 1 53 ILE H 1.800 . 2.900 2.400 2.255 2.496 . 0 0 "[ . 1 . 2]" 1
114 1 17 THR HB 1 54 LYS H 1.800 . 5.000 3.055 2.263 3.955 . 0 0 "[ . 1 . 2]" 1
115 1 18 LEU HA 1 54 LYS H 1.800 . 5.000 3.671 3.318 4.154 . 0 0 "[ . 1 . 2]" 1
116 1 53 ILE HA 1 54 LYS H 1.800 . 2.900 2.265 2.192 2.409 . 0 0 "[ . 1 . 2]" 1
117 1 17 THR H 1 55 ILE HA 1.800 . 3.500 3.543 3.492 3.595 0.095 13 0 "[ . 1 . 2]" 1
118 1 54 LYS HA 1 55 ILE H 1.800 . 2.900 2.272 2.200 2.395 . 0 0 "[ . 1 . 2]" 1
119 1 55 ILE H 1 55 ILE HB 1.800 . 3.500 2.368 2.326 2.422 . 0 0 "[ . 1 . 2]" 1
120 1 55 ILE H 1 55 ILE QG 1.800 . 2.900 2.228 2.008 2.565 . 0 0 "[ . 1 . 2]" 1
121 1 55 ILE H 1 55 ILE MG 1.800 . 5.500 3.735 3.717 3.761 . 0 0 "[ . 1 . 2]" 1
122 1 14 THR H 1 56 SER QB 1.800 . 6.000 3.883 3.322 4.622 . 0 0 "[ . 1 . 2]" 1
123 1 15 ARG H 1 56 SER QB 1.800 . 3.500 2.355 1.979 3.360 . 0 0 "[ . 1 . 2]" 1
124 1 16 LEU HA 1 56 SER H 1.800 . 5.000 3.361 2.889 3.624 . 0 0 "[ . 1 . 2]" 1
125 1 55 ILE HA 1 56 SER H 1.800 . 2.900 2.251 2.185 2.321 . 0 0 "[ . 1 . 2]" 1
126 1 14 THR H 1 57 PHE HA 1.800 . 2.900 1.905 1.846 1.942 . 0 0 "[ . 1 . 2]" 1
127 1 14 THR H 1 57 PHE QB 1.800 . 5.000 2.887 2.565 3.485 . 0 0 "[ . 1 . 2]" 1
128 1 15 ARG H 1 57 PHE HA 1.800 . 5.000 4.060 3.483 4.327 . 0 0 "[ . 1 . 2]" 1
129 1 56 SER HA 1 57 PHE H 1.800 . 2.900 2.280 2.225 2.359 . 0 0 "[ . 1 . 2]" 1
130 1 56 SER QB 1 57 PHE H 1.800 . 3.500 3.217 2.862 3.511 0.011 11 0 "[ . 1 . 2]" 1
131 1 57 PHE H 1 57 PHE QD 1.800 . 3.500 2.862 2.265 3.250 . 0 0 "[ . 1 . 2]" 1
132 1 13 VAL HA 1 58 ARG H 1.800 . 5.000 4.685 4.254 5.001 0.001 12 0 "[ . 1 . 2]" 1
133 1 14 THR MG 1 58 ARG H 1.800 . 5.500 2.081 1.851 2.458 . 0 0 "[ . 1 . 2]" 1
134 1 57 PHE HA 1 58 ARG H 1.800 . 2.900 2.293 2.201 2.535 . 0 0 "[ . 1 . 2]" 1
135 1 57 PHE QB 1 58 ARG H 1.800 . 5.000 2.842 2.371 3.168 . 0 0 "[ . 1 . 2]" 1
136 1 57 PHE QD 1 58 ARG H 1.800 . 5.000 3.924 3.271 4.289 . 0 0 "[ . 1 . 2]" 1
137 1 58 ARG QB 1 58 ARG HE 1.800 . 5.000 3.157 1.992 4.153 . 0 0 "[ . 1 . 2]" 1
138 1 58 ARG HA 1 59 VAL H 1.800 . 2.900 2.241 2.192 2.380 . 0 0 "[ . 1 . 2]" 1
139 1 59 VAL H 1 59 VAL HA 1.800 . 2.900 2.989 2.981 2.994 0.094 9 0 "[ . 1 . 2]" 1
140 1 59 VAL H 1 59 VAL QG 1.800 . 4.000 2.692 2.487 2.797 . 0 0 "[ . 1 . 2]" 1
141 1 10 ASN HA 1 60 ASN H 1.800 . 3.500 3.398 3.125 3.570 0.070 18 0 "[ . 1 . 2]" 1
142 1 11 VAL HA 1 60 ASN H 1.800 . 5.000 4.534 4.125 4.797 . 0 0 "[ . 1 . 2]" 1
143 1 59 VAL HA 1 60 ASN H 1.800 . 2.900 2.326 2.221 2.414 . 0 0 "[ . 1 . 2]" 1
144 1 60 ASN H 1 60 ASN QB 1.800 . 3.500 2.613 2.337 2.945 . 0 0 "[ . 1 . 2]" 1
145 1 60 ASN HA 1 61 ARG H 1.800 . 5.000 2.814 2.772 2.929 . 0 0 "[ . 1 . 2]" 1
146 1 60 ASN QB 1 61 ARG H 1.800 . 5.000 3.974 3.890 4.103 . 0 0 "[ . 1 . 2]" 1
147 1 61 ARG H 1 61 ARG HA 1.800 . 2.900 2.967 2.932 2.982 0.082 8 0 "[ . 1 . 2]" 1
148 1 61 ARG H 1 61 ARG QB 1.800 . 2.900 2.617 2.495 2.771 . 0 0 "[ . 1 . 2]" 1
149 1 61 ARG H 1 61 ARG QD 1.800 . 6.000 4.528 3.809 5.044 . 0 0 "[ . 1 . 2]" 1
150 1 61 ARG HA 1 62 GLU H 1.800 . 5.000 3.585 3.564 3.596 . 0 0 "[ . 1 . 2]" 1
151 1 62 GLU HA 1 63 ILE H 1.800 . 2.900 2.461 2.351 2.601 . 0 0 "[ . 1 . 2]" 1
152 1 63 ILE HA 1 64 VAL H 1.800 . 2.900 2.236 2.195 2.435 . 0 0 "[ . 1 . 2]" 1
153 1 64 VAL HA 1 65 SER H 1.800 . 2.900 2.410 2.210 2.701 . 0 0 "[ . 1 . 2]" 1
154 1 64 VAL HB 1 65 SER H 1.800 . 5.000 4.464 4.320 4.501 . 0 0 "[ . 1 . 2]" 1
155 1 65 SER H 1 65 SER QB 1.800 . 3.500 2.489 1.957 2.856 . 0 0 "[ . 1 . 2]" 1
156 1 65 SER HA 1 66 GLY H 1.800 . 2.900 2.325 2.207 2.674 . 0 0 "[ . 1 . 2]" 1
157 1 65 SER HA 1 67 MET H 1.800 . 5.000 4.192 3.763 4.737 . 0 0 "[ . 1 . 2]" 1
158 1 66 GLY QA 1 67 MET H 1.800 . 5.000 2.711 2.565 2.846 . 0 0 "[ . 1 . 2]" 1
159 1 67 MET H 1 67 MET QG 1.800 . 5.000 3.732 2.884 3.977 . 0 0 "[ . 1 . 2]" 1
160 1 67 MET HA 1 68 LYS H 1.800 . 2.900 2.237 2.201 2.334 . 0 0 "[ . 1 . 2]" 1
161 1 68 LYS HA 1 69 TYR H 1.800 . 2.900 2.326 2.215 2.492 . 0 0 "[ . 1 . 2]" 1
162 1 69 TYR HA 1 70 ILE H 1.800 . 2.900 2.267 2.216 2.439 . 0 0 "[ . 1 . 2]" 1
163 1 70 ILE HA 1 71 GLN H 1.800 . 2.900 2.365 2.213 2.484 . 0 0 "[ . 1 . 2]" 1
164 1 71 GLN HA 1 72 HIS H 1.800 . 2.900 2.235 2.204 2.268 . 0 0 "[ . 1 . 2]" 1
165 1 71 GLN QB 1 72 HIS H 1.800 . 5.000 3.681 3.017 3.974 . 0 0 "[ . 1 . 2]" 1
166 1 72 HIS H 1 72 HIS HD2 1.800 . 5.000 2.355 2.162 2.650 . 0 0 "[ . 1 . 2]" 1
167 1 72 HIS H 1 73 THR HA 1.800 . 5.000 5.022 4.931 5.090 0.090 8 0 "[ . 1 . 2]" 1
168 1 72 HIS HA 1 73 THR H 1.800 . 2.900 2.247 2.197 2.434 . 0 0 "[ . 1 . 2]" 1
169 1 72 HIS QB 1 73 THR H 1.800 . 5.000 3.224 2.560 3.599 . 0 0 "[ . 1 . 2]" 1
170 1 73 THR H 1 73 THR HB 1.800 . 2.900 2.562 2.405 2.822 . 0 0 "[ . 1 . 2]" 1
171 1 73 THR HA 1 74 TYR H 1.800 . 2.900 2.453 2.220 2.625 . 0 0 "[ . 1 . 2]" 1
172 1 74 TYR H 1 74 TYR QB 1.800 . 3.500 2.065 1.990 2.210 . 0 0 "[ . 1 . 2]" 1
173 1 74 TYR HA 1 75 ARG H 1.800 . 2.900 2.239 2.193 2.344 . 0 0 "[ . 1 . 2]" 1
174 1 74 TYR QB 1 75 ARG H 1.800 . 5.000 3.283 2.802 3.751 . 0 0 "[ . 1 . 2]" 1
175 1 75 ARG HA 1 76 LYS H 1.800 . 2.900 2.393 2.200 2.959 0.059 2 0 "[ . 1 . 2]" 1
176 1 76 LYS H 1 76 LYS HA 1.800 . 2.900 2.435 2.354 2.883 . 0 0 "[ . 1 . 2]" 1
177 1 76 LYS HA 1 77 GLY H 1.800 . 2.900 2.817 2.348 2.998 0.098 19 0 "[ . 1 . 2]" 1
178 1 76 LYS QB 1 77 GLY H 1.800 . 5.000 3.853 3.720 4.052 . 0 0 "[ . 1 . 2]" 1
179 1 76 LYS QD 1 77 GLY H 1.800 . 5.000 4.667 3.768 5.054 0.054 2 0 "[ . 1 . 2]" 1
180 1 74 TYR HA 1 78 VAL H 1.800 . 5.000 4.464 3.613 5.022 0.022 4 0 "[ . 1 . 2]" 1
181 1 74 TYR QD 1 78 VAL H 1.800 . 5.000 3.938 2.964 4.984 . 0 0 "[ . 1 . 2]" 1
182 1 75 ARG HA 1 78 VAL H 1.800 . 5.000 4.515 4.186 4.982 . 0 0 "[ . 1 . 2]" 1
183 1 76 LYS HA 1 78 VAL H 1.800 . 5.000 4.479 4.099 4.794 . 0 0 "[ . 1 . 2]" 1
184 1 77 GLY QA 1 78 VAL H 1.800 . 5.000 2.854 2.770 2.963 . 0 0 "[ . 1 . 2]" 1
185 1 74 TYR QD 1 79 LYS H 1.800 . 5.000 4.111 3.463 5.032 0.032 3 0 "[ . 1 . 2]" 1
186 1 75 ARG H 1 79 LYS HA 1.800 . 5.000 3.276 2.369 3.864 . 0 0 "[ . 1 . 2]" 1
187 1 78 VAL HA 1 79 LYS H 1.800 . 2.900 2.283 2.197 2.461 . 0 0 "[ . 1 . 2]" 1
188 1 74 TYR HA 1 80 ILE H 1.800 . 3.500 3.123 2.635 3.516 0.016 7 0 "[ . 1 . 2]" 1
189 1 79 LYS HA 1 80 ILE H 1.800 . 2.900 2.228 2.204 2.321 . 0 0 "[ . 1 . 2]" 1
190 1 73 THR HA 1 81 ASP H 1.800 . 5.000 5.025 4.866 5.147 0.147 12 0 "[ . 1 . 2]" 1
191 1 73 THR HB 1 81 ASP H 1.800 . 5.000 2.601 2.310 2.861 . 0 0 "[ . 1 . 2]" 1
192 1 79 LYS HA 1 81 ASP H 1.800 . 5.000 4.031 3.725 4.716 . 0 0 "[ . 1 . 2]" 1
193 1 80 ILE HA 1 81 ASP H 1.800 . 5.000 3.542 3.488 3.590 . 0 0 "[ . 1 . 2]" 1
194 1 80 ILE HB 1 81 ASP H 1.800 . 5.000 3.442 1.997 4.044 . 0 0 "[ . 1 . 2]" 1
195 1 72 HIS HA 1 82 LYS H 1.800 . 5.000 4.406 4.241 4.615 . 0 0 "[ . 1 . 2]" 1
196 1 73 THR H 1 82 LYS HA 1.800 . 3.500 2.806 2.198 3.102 . 0 0 "[ . 1 . 2]" 1
197 1 81 ASP HA 1 82 LYS H 1.800 . 3.500 2.343 2.199 2.726 . 0 0 "[ . 1 . 2]" 1
198 1 81 ASP QB 1 82 LYS H 1.800 . 5.000 3.247 2.410 3.879 . 0 0 "[ . 1 . 2]" 1
199 1 82 LYS H 1 82 LYS QB 1.800 . 3.500 3.007 2.663 3.318 . 0 0 "[ . 1 . 2]" 1
200 1 70 ILE HA 1 83 THR H 1.800 . 5.000 4.544 3.912 5.028 0.028 19 0 "[ . 1 . 2]" 1
201 1 72 HIS HA 1 83 THR H 1.800 . 5.000 3.682 3.308 4.069 . 0 0 "[ . 1 . 2]" 1
202 1 72 HIS HD2 1 83 THR H 1.800 . 5.000 4.876 4.447 5.015 0.015 14 0 "[ . 1 . 2]" 1
203 1 82 LYS HA 1 83 THR H 1.800 . 2.900 2.382 2.211 2.770 . 0 0 "[ . 1 . 2]" 1
204 1 83 THR H 1 83 THR HB 1.800 . 3.500 2.768 2.564 2.939 . 0 0 "[ . 1 . 2]" 1
205 1 71 GLN H 1 84 ASP HA 1.800 . 5.000 3.744 3.476 4.163 . 0 0 "[ . 1 . 2]" 1
206 1 83 THR HA 1 84 ASP H 1.800 . 2.900 2.320 2.203 2.465 . 0 0 "[ . 1 . 2]" 1
207 1 83 THR HB 1 84 ASP H 1.800 . 5.000 3.798 3.454 4.235 . 0 0 "[ . 1 . 2]" 1
208 1 84 ASP H 1 84 ASP QB 1.800 . 3.500 2.592 2.193 2.941 . 0 0 "[ . 1 . 2]" 1
209 1 70 ILE HA 1 85 TYR H 1.800 . 5.000 3.112 2.619 3.867 . 0 0 "[ . 1 . 2]" 1
210 1 84 ASP HA 1 85 TYR H 1.800 . 2.900 2.269 2.213 2.492 . 0 0 "[ . 1 . 2]" 1
211 1 85 TYR H 1 85 TYR QD 1.800 . 3.500 3.132 2.499 3.515 0.015 5 0 "[ . 1 . 2]" 1
212 1 67 MET H 1 86 MET HA 1.800 . 6.000 6.013 5.886 6.066 0.066 8 0 "[ . 1 . 2]" 1
213 1 69 TYR H 1 86 MET HA 1.800 . 5.000 3.711 3.098 4.502 . 0 0 "[ . 1 . 2]" 1
214 1 85 TYR HA 1 86 MET H 1.800 . 2.900 2.244 2.205 2.332 . 0 0 "[ . 1 . 2]" 1
215 1 85 TYR QB 1 86 MET H 1.800 . 5.000 3.282 2.884 3.807 . 0 0 "[ . 1 . 2]" 1
216 1 86 MET H 1 86 MET QG 1.800 . 6.000 3.731 1.974 4.003 . 0 0 "[ . 1 . 2]" 1
217 1 68 LYS HA 1 87 VAL H 1.800 . 2.900 2.385 1.978 2.906 0.006 1 0 "[ . 1 . 2]" 1
218 1 69 TYR H 1 87 VAL QG 1.800 . 4.000 2.947 2.368 3.343 . 0 0 "[ . 1 . 2]" 1
219 1 86 MET HA 1 87 VAL H 1.800 . 2.900 2.218 2.205 2.241 . 0 0 "[ . 1 . 2]" 1
220 1 87 VAL H 1 87 VAL QG 1.800 . 3.400 2.141 1.943 2.388 . 0 0 "[ . 1 . 2]" 1
221 1 86 MET HA 1 88 GLY H 1.800 . 5.000 4.401 3.766 4.775 . 0 0 "[ . 1 . 2]" 1
222 1 66 GLY H 1 89 SER HA 1.800 . 3.500 2.406 1.985 2.899 . 0 0 "[ . 1 . 2]" 1
223 1 67 MET H 1 89 SER HA 1.800 . 5.000 3.301 2.907 3.560 . 0 0 "[ . 1 . 2]" 1
224 1 88 GLY QA 1 89 SER H 1.800 . 2.900 2.301 2.226 2.321 . 0 0 "[ . 1 . 2]" 1
225 1 89 SER H 1 89 SER QB 1.800 . 2.900 2.531 2.072 2.889 . 0 0 "[ . 1 . 2]" 1
226 1 64 VAL QG 1 90 TYR H 1.800 . 5.500 3.851 3.424 4.102 . 0 0 "[ . 1 . 2]" 1
227 1 65 SER HA 1 90 TYR H 1.800 . 5.000 3.339 2.882 3.905 . 0 0 "[ . 1 . 2]" 1
228 1 89 SER HA 1 90 TYR H 1.800 . 2.900 2.289 2.197 2.355 . 0 0 "[ . 1 . 2]" 1
229 1 89 SER QB 1 90 TYR H 1.800 . 5.000 3.082 2.858 3.728 . 0 0 "[ . 1 . 2]" 1
230 1 64 VAL H 1 91 GLY QA 1.800 . 5.000 3.506 3.130 4.094 . 0 0 "[ . 1 . 2]" 1
231 1 90 TYR HA 1 91 GLY H 1.800 . 2.900 2.261 2.196 2.642 . 0 0 "[ . 1 . 2]" 1
232 1 92 PRO HA 1 93 ARG H 1.800 . 2.900 2.487 2.225 2.892 . 0 0 "[ . 1 . 2]" 1
233 1 94 ALA H 1 94 ALA MB 1.800 . 3.400 2.636 2.079 2.843 . 0 0 "[ . 1 . 2]" 1
234 1 94 ALA HA 1 95 GLU H 1.800 . 5.000 3.214 2.192 3.571 . 0 0 "[ . 1 . 2]" 1
235 1 94 ALA MB 1 95 GLU H 1.800 . 3.400 2.897 1.917 3.570 0.170 3 0 "[ . 1 . 2]" 1
236 1 95 GLU H 1 95 GLU QG 1.800 . 5.000 3.147 1.945 4.374 . 0 0 "[ . 1 . 2]" 1
237 1 57 PHE H 1 96 GLU HA 1.800 . 5.000 4.200 3.353 4.930 . 0 0 "[ . 1 . 2]" 1
238 1 58 ARG HA 1 96 GLU H 1.800 . 6.000 4.202 3.741 4.694 . 0 0 "[ . 1 . 2]" 1
239 1 58 ARG QD 1 96 GLU H 1.800 . 6.000 3.830 2.971 5.748 . 0 0 "[ . 1 . 2]" 1
240 1 59 VAL H 1 96 GLU HA 1.800 . 5.000 3.192 2.357 4.162 . 0 0 "[ . 1 . 2]" 1
241 1 95 GLU HA 1 96 GLU H 1.800 . 2.900 2.839 2.244 3.120 0.220 8 0 "[ . 1 . 2]" 1
242 1 96 GLU HA 1 97 TYR H 1.800 . 2.900 2.362 2.191 2.517 . 0 0 "[ . 1 . 2]" 1
243 1 56 SER HA 1 98 GLU H 1.800 . 5.000 4.852 4.429 5.051 0.051 10 0 "[ . 1 . 2]" 1
244 1 57 PHE H 1 98 GLU HA 1.800 . 5.000 4.002 3.379 4.456 . 0 0 "[ . 1 . 2]" 1
245 1 97 TYR HA 1 98 GLU H 1.800 . 2.900 2.632 2.376 2.783 . 0 0 "[ . 1 . 2]" 1
246 1 54 LYS HA 1 99 PHE H 1.800 . 5.000 4.682 4.427 5.028 0.028 7 0 "[ . 1 . 2]" 1
247 1 56 SER HA 1 99 PHE H 1.800 . 5.000 3.536 3.127 3.901 . 0 0 "[ . 1 . 2]" 1
248 1 98 GLU HA 1 99 PHE H 1.800 . 2.900 2.248 2.203 2.370 . 0 0 "[ . 1 . 2]" 1
249 1 54 LYS HA 1 100 LEU H 1.800 . 6.000 4.626 4.290 4.964 . 0 0 "[ . 1 . 2]" 1
250 1 55 ILE H 1 100 LEU HA 1.800 . 5.000 3.651 3.140 4.119 . 0 0 "[ . 1 . 2]" 1
251 1 99 PHE HA 1 100 LEU H 1.800 . 2.900 2.444 2.250 2.538 . 0 0 "[ . 1 . 2]" 1
252 1 52 ARG HA 1 101 THR H 1.800 . 6.000 5.183 4.642 5.601 . 0 0 "[ . 1 . 2]" 1
253 1 53 ILE H 1 101 THR HA 1.800 . 6.000 4.792 4.525 5.052 . 0 0 "[ . 1 . 2]" 1
254 1 54 LYS HA 1 101 THR H 1.800 . 5.000 3.553 2.887 4.351 . 0 0 "[ . 1 . 2]" 1
255 1 100 LEU HA 1 101 THR H 1.800 . 2.900 2.253 2.205 2.391 . 0 0 "[ . 1 . 2]" 1
256 1 52 ARG QD 1 103 MET H 1.800 . 5.000 4.240 3.260 5.003 0.003 9 0 "[ . 1 . 2]" 1
257 1 102 PRO HA 1 103 MET H 1.800 . 2.900 2.451 2.297 2.688 . 0 0 "[ . 1 . 2]" 1
258 1 102 PRO QD 1 103 MET H 1.800 . 6.000 4.946 4.802 5.022 . 0 0 "[ . 1 . 2]" 1
259 1 103 MET H 1 103 MET QB 1.800 . 2.900 2.312 1.953 2.443 . 0 0 "[ . 1 . 2]" 1
260 1 103 MET H 1 103 MET QG 1.800 . 3.500 2.316 1.962 3.565 0.065 2 0 "[ . 1 . 2]" 1
261 1 50 GLU HA 1 104 GLU H 1.800 . 5.000 3.915 2.922 5.011 0.011 9 0 "[ . 1 . 2]" 1
262 1 52 ARG HA 1 104 GLU H 1.800 . 5.000 3.421 2.536 4.177 . 0 0 "[ . 1 . 2]" 1
263 1 103 MET HA 1 104 GLU H 1.800 . 2.900 2.255 2.187 2.460 . 0 0 "[ . 1 . 2]" 1
264 1 103 MET QG 1 104 GLU H 1.800 . 5.000 3.931 2.656 4.432 . 0 0 "[ . 1 . 2]" 1
265 1 104 GLU H 1 104 GLU QG 1.800 . 6.000 3.505 1.940 4.202 . 0 0 "[ . 1 . 2]" 1
266 1 50 GLU HA 1 105 GLU H 1.800 . 5.000 4.012 3.080 5.015 0.015 3 0 "[ . 1 . 2]" 1
267 1 51 TYR H 1 105 GLU HA 1.800 . 3.500 3.439 2.966 3.540 0.040 14 0 "[ . 1 . 2]" 1
268 1 51 TYR H 1 105 GLU QB 1.800 . 6.000 5.073 4.687 5.503 . 0 0 "[ . 1 . 2]" 1
269 1 104 GLU HA 1 105 GLU H 1.800 . 2.900 2.321 2.205 2.739 . 0 0 "[ . 1 . 2]" 1
270 1 49 VAL MG2 1 106 ALA H 1.800 . 5.500 3.254 2.213 3.956 . 0 0 "[ . 1 . 2]" 1
271 1 50 GLU HA 1 106 ALA H 1.800 . 5.000 4.180 3.613 4.596 . 0 0 "[ . 1 . 2]" 1
272 1 51 TYR QD 1 106 ALA H 1.800 . 3.500 3.522 3.506 3.541 0.041 20 0 "[ . 1 . 2]" 1
273 1 105 GLU HA 1 106 ALA H 1.800 . 2.900 2.216 2.176 2.349 . 0 0 "[ . 1 . 2]" 1
274 1 105 GLU QB 1 106 ALA H 1.800 . 3.500 3.254 2.758 3.529 0.029 11 0 "[ . 1 . 2]" 1
275 1 105 GLU QG 1 106 ALA H 1.800 . 5.000 3.860 2.710 4.450 . 0 0 "[ . 1 . 2]" 1
276 1 106 ALA H 1 106 ALA MB 1.800 . 3.400 2.012 1.945 2.108 . 0 0 "[ . 1 . 2]" 1
277 1 48 GLY QA 1 106 ALA H 1.800 . 5.000 2.669 2.044 3.424 . 0 0 "[ . 1 . 2]" 1
278 1 107 PRO HA 1 108 LYS H 1.800 . 2.900 2.296 2.198 2.942 0.042 6 0 "[ . 1 . 2]" 1
279 1 107 PRO QB 1 108 LYS H 1.800 . 3.500 3.201 1.849 3.576 0.076 5 0 "[ . 1 . 2]" 1
280 1 107 PRO QD 1 108 LYS H 1.800 . 6.000 4.923 4.660 5.020 . 0 0 "[ . 1 . 2]" 1
281 1 108 LYS H 1 108 LYS QE 1.800 . 5.000 3.510 1.951 4.767 . 0 0 "[ . 1 . 2]" 1
282 1 47 GLU QB 1 109 GLY H 1.800 . 3.500 2.933 2.193 3.513 0.013 5 0 "[ . 1 . 2]" 1
283 1 47 GLU QG 1 109 GLY H 1.800 . 5.000 2.949 1.965 3.850 . 0 0 "[ . 1 . 2]" 1
284 1 109 GLY H 1 139 ILE MG 1.800 . 6.500 4.966 4.029 5.922 . 0 0 "[ . 1 . 2]" 1
285 1 108 LYS HA 1 109 GLY H 1.800 . 2.900 2.596 2.378 2.824 . 0 0 "[ . 1 . 2]" 1
286 1 109 GLY H 1 110 MET HA 1.800 . 5.000 4.911 4.295 5.122 0.122 6 0 "[ . 1 . 2]" 1
287 1 108 LYS QB 1 109 GLY H 1.800 . 2.700 2.272 1.942 2.707 0.007 13 0 "[ . 1 . 2]" 1
288 1 108 LYS QG 1 109 GLY H 1.800 . 5.000 3.447 2.269 4.067 . 0 0 "[ . 1 . 2]" 1
289 1 110 MET H 1 110 MET QB 1.800 . 3.500 2.338 2.022 3.390 . 0 0 "[ . 1 . 2]" 1
290 1 110 MET QB 1 111 LEU H 1.800 . 2.900 2.555 1.968 3.076 0.176 12 0 "[ . 1 . 2]" 1
291 1 111 LEU H 1 111 LEU QB 1.800 . 2.900 2.306 2.054 2.965 0.065 13 0 "[ . 1 . 2]" 1
292 1 111 LEU H 1 111 LEU QD 1.800 . 4.000 3.162 1.865 4.013 0.013 13 0 "[ . 1 . 2]" 1
293 1 110 MET HA 1 112 ALA H 1.800 . 5.000 4.140 3.662 4.489 . 0 0 "[ . 1 . 2]" 1
294 1 111 LEU HA 1 112 ALA H 1.800 . 3.500 3.433 3.008 3.586 0.086 13 0 "[ . 1 . 2]" 1
295 1 110 MET HA 1 113 ARG H 1.800 . 5.000 4.169 3.191 5.005 0.005 17 0 "[ . 1 . 2]" 1
296 1 112 ALA HA 1 113 ARG H 1.800 . 5.000 3.388 3.026 3.521 . 0 0 "[ . 1 . 2]" 1
297 1 113 ARG H 1 113 ARG QD 1.800 . 6.000 3.427 2.870 4.338 . 0 0 "[ . 1 . 2]" 1
298 1 113 ARG HA 1 114 GLY H 1.800 . 2.900 2.282 2.211 2.570 . 0 0 "[ . 1 . 2]" 1
299 1 113 ARG QB 1 114 GLY H 1.800 . 5.000 3.168 2.316 3.476 . 0 0 "[ . 1 . 2]" 1
300 1 114 GLY QA 1 115 SER H 1.800 . 2.900 2.315 2.269 2.326 . 0 0 "[ . 1 . 2]" 1
301 1 115 SER H 1 115 SER QB 1.800 . 2.900 2.749 2.499 2.901 0.001 16 0 "[ . 1 . 2]" 1
302 1 115 SER HA 1 116 TYR H 1.800 . 2.900 2.216 2.190 2.252 . 0 0 "[ . 1 . 2]" 1
303 1 115 SER QB 1 116 TYR H 1.800 . 5.000 3.238 3.029 3.467 . 0 0 "[ . 1 . 2]" 1
304 1 116 TYR H 1 116 TYR QD 1.800 . 2.900 2.579 2.375 2.877 . 0 0 "[ . 1 . 2]" 1
305 1 74 TYR QB 1 117 ASN H 1.800 . 5.000 3.779 2.834 4.277 . 0 0 "[ . 1 . 2]" 1
306 1 75 ARG HA 1 117 ASN H 1.800 . 5.000 3.259 2.573 4.117 . 0 0 "[ . 1 . 2]" 1
307 1 116 TYR HA 1 117 ASN H 1.800 . 2.900 2.236 2.198 2.279 . 0 0 "[ . 1 . 2]" 1
308 1 116 TYR QB 1 117 ASN H 1.800 . 5.000 3.615 3.337 3.739 . 0 0 "[ . 1 . 2]" 1
309 1 117 ASN H 1 117 ASN QB 1.800 . 3.500 2.104 1.957 2.194 . 0 0 "[ . 1 . 2]" 1
310 1 72 HIS H 1 118 ILE MG 1.800 . 5.500 3.006 2.489 3.618 . 0 0 "[ . 1 . 2]" 1
311 1 74 TYR H 1 118 ILE HA 1.800 . 3.500 2.686 2.207 3.487 . 0 0 "[ . 1 . 2]" 1
312 1 117 ASN HA 1 118 ILE H 1.800 . 2.900 2.247 2.212 2.329 . 0 0 "[ . 1 . 2]" 1
313 1 117 ASN QB 1 118 ILE H 1.800 . 5.000 3.605 2.976 3.905 . 0 0 "[ . 1 . 2]" 1
314 1 71 GLN HA 1 119 LYS H 1.800 . 5.000 4.342 3.997 4.646 . 0 0 "[ . 1 . 2]" 1
315 1 73 THR HA 1 119 LYS H 1.800 . 5.000 4.217 3.923 4.393 . 0 0 "[ . 1 . 2]" 1
316 1 118 ILE HA 1 119 LYS H 1.800 . 2.900 2.257 2.201 2.328 . 0 0 "[ . 1 . 2]" 1
317 1 72 HIS H 1 120 SER HA 1.800 . 3.500 3.533 3.473 3.589 0.089 9 0 "[ . 1 . 2]" 1
318 1 69 TYR HA 1 121 ARG H 1.800 . 5.000 4.668 4.136 5.011 0.011 16 0 "[ . 1 . 2]" 1
319 1 120 SER HA 1 121 ARG H 1.800 . 2.700 2.252 2.194 2.402 . 0 0 "[ . 1 . 2]" 1
320 1 120 SER QB 1 121 ARG H 1.800 . 5.000 3.222 2.654 3.648 . 0 0 "[ . 1 . 2]" 1
321 1 121 ARG H 1 121 ARG QB 1.800 . 3.500 2.488 2.180 2.996 . 0 0 "[ . 1 . 2]" 1
322 1 68 LYS H 1 122 PHE HA 1.800 . 6.000 4.950 4.330 5.359 . 0 0 "[ . 1 . 2]" 1
323 1 70 ILE H 1 122 PHE HA 1.800 . 5.000 3.518 2.727 3.938 . 0 0 "[ . 1 . 2]" 1
324 1 121 ARG H 1 122 PHE HA 1.800 . 5.000 4.639 4.331 4.911 . 0 0 "[ . 1 . 2]" 1
325 1 121 ARG HA 1 122 PHE H 1.800 . 2.900 2.280 2.172 2.401 . 0 0 "[ . 1 . 2]" 1
326 1 67 MET HA 1 123 THR H 1.800 . 6.000 5.182 4.535 5.909 . 0 0 "[ . 1 . 2]" 1
327 1 69 TYR HA 1 123 THR H 1.800 . 5.000 3.695 3.126 4.131 . 0 0 "[ . 1 . 2]" 1
328 1 122 PHE HA 1 123 THR H 1.800 . 2.900 2.252 2.190 2.482 . 0 0 "[ . 1 . 2]" 1
329 1 122 PHE QB 1 123 THR H 1.800 . 5.000 3.805 3.319 4.016 . 0 0 "[ . 1 . 2]" 1
330 1 67 MET H 1 124 ASP HA 1.800 . 5.000 4.406 3.979 4.734 . 0 0 "[ . 1 . 2]" 1
331 1 68 LYS H 1 124 ASP HA 1.800 . 3.500 2.729 2.562 3.153 . 0 0 "[ . 1 . 2]" 1
332 1 123 THR HA 1 124 ASP H 1.800 . 5.000 2.661 2.393 2.901 . 0 0 "[ . 1 . 2]" 1
333 1 123 THR HB 1 124 ASP H 1.800 . 3.500 3.348 2.423 3.618 0.118 19 0 "[ . 1 . 2]" 1
334 1 123 THR MG 1 124 ASP H 1.800 . 4.000 3.152 2.608 3.847 . 0 0 "[ . 1 . 2]" 1
335 1 66 GLY QA 1 125 ASP H 1.800 . 5.000 2.980 2.446 3.558 . 0 0 "[ . 1 . 2]" 1
336 1 124 ASP HA 1 125 ASP H 1.800 . 3.500 2.780 2.341 3.032 . 0 0 "[ . 1 . 2]" 1
337 1 124 ASP HB2 1 125 ASP H 1.800 . 2.900 2.155 1.956 2.901 0.001 4 0 "[ . 1 . 2]" 1
338 1 125 ASP H 1 125 ASP QB 1.800 . 3.500 2.213 1.954 2.668 . 0 0 "[ . 1 . 2]" 1
339 1 124 ASP HA 1 126 ASP H 1.800 . 5.000 4.834 4.317 5.202 0.202 13 0 "[ . 1 . 2]" 1
340 1 124 ASP QB 1 126 ASP H 1.800 . 5.000 3.728 3.207 4.413 . 0 0 "[ . 1 . 2]" 1
341 1 125 ASP HA 1 126 ASP H 1.800 . 5.000 3.214 2.660 3.581 . 0 0 "[ . 1 . 2]" 1
342 1 125 ASP HA 1 127 ARG H 1.800 . 5.000 4.893 3.945 5.234 0.234 19 0 "[ . 1 . 2]" 1
343 1 126 ASP H 1 127 ARG HA 1.800 . 5.000 4.351 4.012 4.827 . 0 0 "[ . 1 . 2]" 1
344 1 126 ASP HA 1 127 ARG H 1.800 . 3.500 3.175 2.607 3.577 0.077 15 0 "[ . 1 . 2]" 1
345 1 126 ASP QB 1 127 ARG H 1.800 . 5.000 3.283 1.939 4.042 . 0 0 "[ . 1 . 2]" 1
346 1 127 ARG H 1 127 ARG HA 1.800 . 2.900 2.855 2.462 2.986 0.086 17 0 "[ . 1 . 2]" 1
347 1 127 ARG H 1 127 ARG QD 1.800 . 5.000 3.932 1.966 5.078 0.078 1 0 "[ . 1 . 2]" 1
348 1 127 ARG H 1 127 ARG QG 1.800 . 3.500 3.100 2.149 3.762 0.262 1 0 "[ . 1 . 2]" 1
349 1 123 THR HA 1 128 THR H 1.800 . 6.000 5.551 4.445 6.042 0.042 8 0 "[ . 1 . 2]" 1
350 1 126 ASP QB 1 128 THR H 1.800 . 5.000 4.745 3.396 5.258 0.258 11 0 "[ . 1 . 2]" 1
351 1 127 ARG HA 1 128 THR H 1.800 . 3.500 3.345 2.508 3.578 0.078 19 0 "[ . 1 . 2]" 1
352 1 128 THR H 1 128 THR HB 1.800 . 3.500 3.447 3.208 3.580 0.080 11 0 "[ . 1 . 2]" 1
353 1 128 THR HA 1 129 ASP H 1.800 . 2.900 2.704 2.446 2.911 0.011 4 0 "[ . 1 . 2]" 1
354 1 128 THR MG 1 129 ASP H 1.800 . 3.400 2.963 2.677 3.429 0.029 5 0 "[ . 1 . 2]" 1
355 1 129 ASP H 1 129 ASP QB 1.800 . 3.500 2.421 2.207 2.856 . 0 0 "[ . 1 . 2]" 1
356 1 123 THR HA 1 130 HIS H 1.800 . 3.500 2.208 1.967 2.731 . 0 0 "[ . 1 . 2]" 1
357 1 123 THR HB 1 130 HIS H 1.800 . 5.000 3.222 2.287 4.661 . 0 0 "[ . 1 . 2]" 1
358 1 129 ASP HA 1 130 HIS H 1.800 . 2.900 2.235 2.202 2.360 . 0 0 "[ . 1 . 2]" 1
359 1 129 ASP QB 1 130 HIS H 1.800 . 5.000 3.645 3.356 3.952 . 0 0 "[ . 1 . 2]" 1
360 1 130 HIS H 1 130 HIS QB 1.800 . 3.500 2.221 2.015 2.514 . 0 0 "[ . 1 . 2]" 1
361 1 130 HIS H 1 130 HIS HD2 1.800 . 5.000 3.512 2.359 4.101 . 0 0 "[ . 1 . 2]" 1
362 1 121 ARG HA 1 131 LEU H 1.800 . 5.000 5.020 4.802 5.094 0.094 5 0 "[ . 1 . 2]" 1
363 1 122 PHE QB 1 131 LEU H 1.800 . 5.000 2.988 2.039 4.077 . 0 0 "[ . 1 . 2]" 1
364 1 123 THR HA 1 131 LEU H 1.800 . 6.000 3.958 3.529 4.610 . 0 0 "[ . 1 . 2]" 1
365 1 129 ASP HA 1 131 LEU H 1.800 . 5.000 4.218 3.605 4.804 . 0 0 "[ . 1 . 2]" 1
366 1 129 ASP QB 1 131 LEU H 1.800 . 5.000 4.142 3.529 4.990 . 0 0 "[ . 1 . 2]" 1
367 1 122 PHE H 1 132 SER HA 1.800 . 5.000 2.916 2.680 3.282 . 0 0 "[ . 1 . 2]" 1
368 1 122 PHE H 1 132 SER QB 1.800 . 6.000 3.576 2.965 4.228 . 0 0 "[ . 1 . 2]" 1
369 1 131 LEU HA 1 132 SER H 1.800 . 2.900 2.332 2.214 2.479 . 0 0 "[ . 1 . 2]" 1
370 1 132 SER H 1 132 SER QB 1.800 . 3.500 2.872 2.319 3.310 . 0 0 "[ . 1 . 2]" 1
371 1 119 LYS HA 1 133 TRP H 1.800 . 5.000 4.970 4.767 5.045 0.045 11 0 "[ . 1 . 2]" 1
372 1 121 ARG HA 1 133 TRP H 1.800 . 5.000 3.972 3.640 4.236 . 0 0 "[ . 1 . 2]" 1
373 1 132 SER HA 1 133 TRP H 1.800 . 2.900 2.275 2.215 2.412 . 0 0 "[ . 1 . 2]" 1
374 1 132 SER QB 1 133 TRP H 1.800 . 5.000 3.334 2.668 3.857 . 0 0 "[ . 1 . 2]" 1
375 1 120 SER H 1 134 GLU HA 1.800 . 5.000 3.182 2.853 3.581 . 0 0 "[ . 1 . 2]" 1
376 1 133 TRP HA 1 134 GLU H 1.800 . 2.900 2.887 2.688 2.926 0.026 4 0 "[ . 1 . 2]" 1
377 1 133 TRP QB 1 134 GLU H 1.800 . 2.900 1.995 1.966 2.187 . 0 0 "[ . 1 . 2]" 1
378 1 117 ASN HA 1 135 TRP H 1.800 . 5.000 4.529 4.166 4.835 . 0 0 "[ . 1 . 2]" 1
379 1 118 ILE HB 1 135 TRP HE1 1.800 . 5.000 3.353 2.960 3.833 . 0 0 "[ . 1 . 2]" 1
380 1 118 ILE MD 1 135 TRP HE1 1.800 . 5.500 4.394 3.795 5.103 . 0 0 "[ . 1 . 2]" 1
381 1 118 ILE MG 1 135 TRP HE1 1.800 . 3.400 2.807 1.966 3.406 0.006 7 0 "[ . 1 . 2]" 1
382 1 119 LYS HA 1 135 TRP H 1.800 . 5.000 4.348 3.910 4.755 . 0 0 "[ . 1 . 2]" 1
383 1 133 TRP HZ2 1 135 TRP HE1 1.800 . 3.500 3.547 3.524 3.590 0.090 11 0 "[ . 1 . 2]" 1
384 1 134 GLU HA 1 135 TRP HE1 1.800 . 5.000 4.604 4.449 4.808 . 0 0 "[ . 1 . 2]" 1
385 1 134 GLU HA 1 135 TRP H 1.800 . 2.900 2.210 2.192 2.264 . 0 0 "[ . 1 . 2]" 1
386 1 42 SER HA 1 136 ASN H 1.800 . 5.000 3.429 2.546 4.025 . 0 0 "[ . 1 . 2]" 1
387 1 42 SER QB 1 136 ASN H 1.800 . 5.000 3.798 3.110 4.251 . 0 0 "[ . 1 . 2]" 1
388 1 116 TYR H 1 136 ASN HA 1.800 . 5.000 3.881 3.443 4.357 . 0 0 "[ . 1 . 2]" 1
389 1 118 ILE H 1 136 ASN HA 1.800 . 3.500 3.209 2.876 3.516 0.016 12 0 "[ . 1 . 2]" 1
390 1 135 TRP HA 1 136 ASN H 1.800 . 2.900 2.290 2.256 2.450 . 0 0 "[ . 1 . 2]" 1
391 1 135 TRP QB 1 136 ASN H 1.800 . 2.900 2.884 2.505 2.933 0.033 13 0 "[ . 1 . 2]" 1
392 1 43 PHE H 1 137 LEU HA 1.800 . 2.900 2.679 2.206 2.914 0.014 18 0 "[ . 1 . 2]" 1
393 1 116 TYR HB2 1 137 LEU H 1.800 . 5.000 2.968 2.636 3.595 . 0 0 "[ . 1 . 2]" 1
394 1 117 ASN HA 1 137 LEU H 1.800 . 5.000 3.817 3.535 4.099 . 0 0 "[ . 1 . 2]" 1
395 1 136 ASN HA 1 137 LEU H 1.800 . 2.900 2.290 2.203 2.412 . 0 0 "[ . 1 . 2]" 1
396 1 136 ASN QB 1 137 LEU H 1.800 . 5.000 2.865 2.540 3.218 . 0 0 "[ . 1 . 2]" 1
397 1 137 LEU H 1 137 LEU QB 1.800 . 3.500 2.401 2.188 2.586 . 0 0 "[ . 1 . 2]" 1
398 1 44 VAL HA 1 138 THR H 1.800 . 3.500 3.515 3.407 3.547 0.047 7 0 "[ . 1 . 2]" 1
399 1 45 LEU H 1 138 THR HB 1.800 . 5.000 3.870 3.453 4.106 . 0 0 "[ . 1 . 2]" 1
400 1 114 GLY H 1 138 THR HA 1.800 . 5.000 4.043 3.782 4.512 . 0 0 "[ . 1 . 2]" 1
401 1 115 SER H 1 138 THR HA 1.800 . 6.000 4.066 3.809 4.271 . 0 0 "[ . 1 . 2]" 1
402 1 116 TYR H 1 138 THR HA 1.800 . 3.500 3.513 3.359 3.566 0.066 6 0 "[ . 1 . 2]" 1
403 1 137 LEU HA 1 138 THR H 1.800 . 2.900 2.274 2.226 2.333 . 0 0 "[ . 1 . 2]" 1
404 1 138 THR H 1 138 THR HB 1.800 . 2.900 2.383 2.317 2.463 . 0 0 "[ . 1 . 2]" 1
405 1 45 LEU H 1 139 ILE HA 1.800 . 3.500 2.668 2.233 3.282 . 0 0 "[ . 1 . 2]" 1
406 1 47 GLU H 1 139 ILE HA 1.800 . 6.000 5.335 4.791 5.709 . 0 0 "[ . 1 . 2]" 1
407 1 113 ARG HA 1 139 ILE H 1.800 . 5.000 3.912 3.725 4.358 . 0 0 "[ . 1 . 2]" 1
408 1 114 GLY H 1 139 ILE HB 1.800 . 3.500 2.163 1.987 3.052 . 0 0 "[ . 1 . 2]" 1
409 1 115 SER HA 1 139 ILE H 1.800 . 5.000 3.609 3.278 3.945 . 0 0 "[ . 1 . 2]" 1
410 1 138 THR HA 1 139 ILE H 1.800 . 2.900 2.224 2.194 2.305 . 0 0 "[ . 1 . 2]" 1
411 1 46 LYS HA 1 140 LYS H 1.800 . 5.000 2.604 2.037 2.982 . 0 0 "[ . 1 . 2]" 1
412 1 114 GLY H 1 140 LYS HA 1.800 . 5.000 4.628 4.352 4.953 . 0 0 "[ . 1 . 2]" 1
413 1 139 ILE HA 1 140 LYS H 1.800 . 2.900 2.337 2.246 2.450 . 0 0 "[ . 1 . 2]" 1
414 1 139 ILE HB 1 140 LYS H 1.800 . 5.000 3.955 3.718 4.188 . 0 0 "[ . 1 . 2]" 1
415 1 47 GLU H 1 141 LYS HA 1.800 . 5.000 3.052 2.380 4.288 . 0 0 "[ . 1 . 2]" 1
416 1 47 GLU H 1 141 LYS QE 1.800 . 6.000 5.701 4.105 6.058 0.058 12 0 "[ . 1 . 2]" 1
417 1 141 LYS HA 1 142 GLU H 1.800 . 5.000 3.502 3.350 3.605 . 0 0 "[ . 1 . 2]" 1
418 1 141 LYS QE 1 142 GLU H 1.800 . 5.000 4.313 2.487 5.029 0.029 7 0 "[ . 1 . 2]" 1
419 1 142 GLU H 1 142 GLU QG 1.800 . 5.000 3.462 1.989 4.294 . 0 0 "[ . 1 . 2]" 1
420 1 142 GLU HA 1 143 TRP H 1.800 . 2.900 2.513 2.190 2.845 . 0 0 "[ . 1 . 2]" 1
421 1 143 TRP QB 1 144 LYS H 1.800 . 5.000 3.828 3.620 4.088 . 0 0 "[ . 1 . 2]" 1
422 1 143 TRP HA 1 145 ASP H 1.800 . 6.000 4.292 3.551 4.787 . 0 0 "[ . 1 . 2]" 1
423 1 144 LYS HA 1 145 ASP H 1.800 . 2.900 2.837 2.672 2.959 0.059 17 0 "[ . 1 . 2]" 1
424 1 36 GLU HA 1 39 LYS H 1.800 . 5.000 3.778 3.424 3.992 . 0 0 "[ . 1 . 2]" 1
425 1 30 ASP H 1 38 PHE QE 1.800 . 3.500 3.074 2.209 3.447 . 0 0 "[ . 1 . 2]" 1
426 1 30 ASP H 1 38 PHE HZ 1.800 . 5.000 3.943 2.594 5.018 0.018 14 0 "[ . 1 . 2]" 1
427 1 29 LEU MD2 1 30 ASP H 1.800 . 4.000 2.361 1.903 2.805 . 0 0 "[ . 1 . 2]" 1
428 1 49 VAL H 1 106 ALA MB 1.800 . 3.400 2.548 1.847 3.101 . 0 0 "[ . 1 . 2]" 1
429 1 42 SER HB3 1 136 ASN HB3 1.800 . 3.300 2.943 2.326 3.316 0.016 4 0 "[ . 1 . 2]" 1
430 1 42 SER HB3 1 136 ASN HB2 1.800 . 3.300 2.322 1.994 2.861 . 0 0 "[ . 1 . 2]" 1
431 1 42 SER HB2 1 136 ASN HB3 1.800 . 3.300 3.300 3.159 3.355 0.055 14 0 "[ . 1 . 2]" 1
432 1 42 SER HB2 1 136 ASN HB2 1.800 . 3.300 3.278 2.849 3.350 0.050 14 0 "[ . 1 . 2]" 1
433 1 42 SER HB3 1 138 THR HB 1.800 . 5.000 5.030 5.007 5.057 0.057 11 0 "[ . 1 . 2]" 1
434 1 42 SER HB2 1 138 THR HB 1.800 . 5.000 3.565 3.385 3.936 . 0 0 "[ . 1 . 2]" 1
435 1 42 SER HB3 1 137 LEU HA 1.800 . 5.000 4.872 3.652 5.025 0.025 13 0 "[ . 1 . 2]" 1
436 1 42 SER HB2 1 137 LEU HA 1.800 . 5.000 3.586 3.140 4.398 . 0 0 "[ . 1 . 2]" 1
437 1 37 SER QB 1 41 GLN QE 1.800 . 5.000 3.913 2.012 4.983 . 0 0 "[ . 1 . 2]" 1
438 1 29 LEU MD2 1 41 GLN QE 1.800 . 6.500 4.466 2.417 6.493 . 0 0 "[ . 1 . 2]" 1
439 1 16 LEU QD 1 133 TRP HE1 1.800 . 5.500 3.034 2.646 3.745 . 0 0 "[ . 1 . 2]" 1
440 1 16 LEU HA 1 55 ILE HA 1.800 . 5.000 2.681 2.484 2.890 . 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 167
_Distance_constraint_stats_list.Viol_count 269
_Distance_constraint_stats_list.Viol_total 380.831
_Distance_constraint_stats_list.Viol_max 0.926
_Distance_constraint_stats_list.Viol_rms 0.0464
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0057
_Distance_constraint_stats_list.Viol_average_violations_only 0.0708
_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 11 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 VAL 0.010 0.010 8 0 "[ . 1 . 2]"
1 15 ARG 0.063 0.027 20 0 "[ . 1 . 2]"
1 16 LEU 0.045 0.020 7 0 "[ . 1 . 2]"
1 18 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 PRO 0.015 0.010 1 0 "[ . 1 . 2]"
1 29 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 LEU 0.087 0.027 20 0 "[ . 1 . 2]"
1 35 LEU 0.538 0.478 1 0 "[ . 1 . 2]"
1 38 PHE 0.538 0.478 1 0 "[ . 1 . 2]"
1 43 PHE 0.116 0.035 12 0 "[ . 1 . 2]"
1 45 LEU 0.239 0.059 10 0 "[ . 1 . 2]"
1 49 VAL 0.385 0.097 20 0 "[ . 1 . 2]"
1 51 TYR 0.083 0.049 3 0 "[ . 1 . 2]"
1 53 ILE 0.350 0.056 13 0 "[ . 1 . 2]"
1 55 ILE 1.875 0.729 18 1 "[ . 1 . + 2]"
1 56 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 PHE 4.538 0.878 4 4 "[- +.* 1 . * 2]"
1 58 ARG 0.010 0.010 12 0 "[ . 1 . 2]"
1 59 VAL 5.632 0.878 4 4 "[- +.* 1 .* 2]"
1 64 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 MET 2.485 0.926 15 3 "[- . * 1 + 2]"
1 69 TYR 0.202 0.047 12 0 "[ . 1 . 2]"
1 71 GLN 0.059 0.021 9 0 "[ . 1 . 2]"
1 72 HIS 4.541 0.218 17 0 "[ . 1 . 2]"
1 73 THR 0.159 0.105 12 0 "[ . 1 . 2]"
1 74 TYR 0.202 0.105 12 0 "[ . 1 . 2]"
1 75 ARG 0.000 0.000 16 0 "[ . 1 . 2]"
1 77 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 VAL 0.014 0.007 18 0 "[ . 1 . 2]"
1 79 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 ILE 0.284 0.039 4 0 "[ . 1 . 2]"
1 82 LYS 1.689 0.156 12 0 "[ . 1 . 2]"
1 83 THR 0.043 0.016 11 0 "[ . 1 . 2]"
1 84 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 TYR 0.391 0.047 12 0 "[ . 1 . 2]"
1 87 VAL 0.008 0.005 4 0 "[ . 1 . 2]"
1 88 GLY 0.335 0.055 3 0 "[ . 1 . 2]"
1 89 SER 0.126 0.068 8 0 "[ . 1 . 2]"
1 90 TYR 2.999 0.926 15 3 "[- . * 1 + 2]"
1 92 PRO 0.124 0.031 2 0 "[ . 1 . 2]"
1 97 TYR 3.407 0.786 16 2 "[ -. 1 .+ 2]"
1 98 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 99 PHE 0.023 0.008 14 0 "[ . 1 . 2]"
1 101 THR 0.063 0.016 18 0 "[ . 1 . 2]"
1 102 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 104 GLU 0.034 0.026 3 0 "[ . 1 . 2]"
1 106 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 107 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 113 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 114 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 115 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 116 TYR 0.579 0.042 16 0 "[ . 1 . 2]"
1 118 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 119 LYS 2.881 0.218 17 0 "[ . 1 . 2]"
1 120 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 122 PHE 0.271 0.055 14 0 "[ . 1 . 2]"
1 123 THR 0.006 0.003 17 0 "[ . 1 . 2]"
1 130 HIS 0.006 0.003 17 0 "[ . 1 . 2]"
1 131 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 132 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 133 TRP 0.092 0.024 18 0 "[ . 1 . 2]"
1 134 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 135 TRP 0.343 0.056 13 0 "[ . 1 . 2]"
1 137 LEU 0.134 0.035 12 0 "[ . 1 . 2]"
1 138 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 139 ILE 0.218 0.026 14 0 "[ . 1 . 2]"
1 143 TRP 1.203 0.097 20 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 31 LEU MD2 1 38 PHE QE 1.800 . 5.500 2.779 2.275 3.290 . 0 0 "[ . 1 . 2]" 2
2 1 35 LEU MD2 1 38 PHE HE1 1.800 . 5.500 3.744 2.289 5.978 0.478 1 0 "[ . 1 . 2]" 2
3 1 38 PHE HA 1 38 PHE QD 1.800 . 3.300 2.380 1.983 3.007 . 0 0 "[ . 1 . 2]" 2
4 1 18 LEU QD 1 43 PHE QD 1.800 . 5.500 2.435 1.882 3.120 . 0 0 "[ . 1 . 2]" 2
5 1 29 LEU HG 1 43 PHE QE 1.800 . 5.000 2.308 1.972 3.046 . 0 0 "[ . 1 . 2]" 2
6 1 29 LEU MD1 1 43 PHE HZ 1.800 . 5.500 3.018 2.354 3.845 . 0 0 "[ . 1 . 2]" 2
7 1 29 LEU HG 1 43 PHE HZ 1.800 . 5.000 2.090 1.945 2.507 . 0 0 "[ . 1 . 2]" 2
8 1 43 PHE HA 1 43 PHE QD 1.800 . 3.300 2.334 1.961 2.979 . 0 0 "[ . 1 . 2]" 2
9 1 51 TYR HA 1 51 TYR QD 1.800 . 5.000 3.668 2.844 3.732 . 0 0 "[ . 1 . 2]" 2
10 1 51 TYR HA 1 51 TYR QE 1.800 . 6.000 5.569 4.335 5.648 . 0 0 "[ . 1 . 2]" 2
11 1 51 TYR QE 1 53 ILE MD 1.800 . 3.200 2.206 1.899 2.793 . 0 0 "[ . 1 . 2]" 2
12 1 51 TYR QD 1 53 ILE MD 1.800 . 5.500 3.396 1.968 4.108 . 0 0 "[ . 1 . 2]" 2
13 1 51 TYR QE 1 53 ILE QG 1.800 . 3.300 2.644 1.971 3.349 0.049 3 0 "[ . 1 . 2]" 2
14 1 13 VAL HA 1 57 PHE QD 1.800 . 6.000 4.099 3.239 4.862 . 0 0 "[ . 1 . 2]" 2
15 1 55 ILE MG 1 57 PHE HD1 1.800 . 5.500 3.514 2.008 6.229 0.729 18 1 "[ . 1 . + 2]" 2
16 1 56 SER HA 1 57 PHE QD 1.800 . 6.000 3.240 2.733 3.981 . 0 0 "[ . 1 . 2]" 2
17 1 57 PHE HA 1 57 PHE QD 1.800 . 6.000 3.689 3.667 3.707 . 0 0 "[ . 1 . 2]" 2
18 1 57 PHE QD 1 59 VAL QG 1.800 . 3.800 2.185 1.895 2.919 . 0 0 "[ . 1 . 2]" 2
19 1 57 PHE HE2 1 59 VAL QG 1.800 . 5.500 3.500 2.101 6.378 0.878 4 3 "[- +.* 1 . 2]" 2
20 1 57 PHE HZ 1 59 VAL QG 1.800 . 6.500 4.364 3.927 5.484 . 0 0 "[ . 1 . 2]" 2
21 1 69 TYR QE 1 71 GLN QG 1.800 . 5.000 4.263 3.134 4.995 . 0 0 "[ . 1 . 2]" 2
22 1 72 HIS QB 1 74 TYR QE 1.800 . 3.300 2.100 1.859 2.662 . 0 0 "[ . 1 . 2]" 2
23 1 72 HIS H 1 74 TYR QE 1.800 . 6.000 4.970 4.460 5.490 . 0 0 "[ . 1 . 2]" 2
24 1 73 THR MG 1 74 TYR QD 1.800 . 5.500 5.425 4.996 5.605 0.105 12 0 "[ . 1 . 2]" 2
25 1 74 TYR QE 1 78 VAL HA 1.800 . 6.000 4.808 3.648 6.007 0.007 18 0 "[ . 1 . 2]" 2
26 1 74 TYR QE 1 79 LYS HA 1.800 . 6.000 4.014 3.146 4.765 . 0 0 "[ . 1 . 2]" 2
27 1 74 TYR QE 1 79 LYS H 1.800 . 6.000 3.971 2.945 5.022 . 0 0 "[ . 1 . 2]" 2
28 1 72 HIS HD2 1 82 LYS QB 1.800 . 3.300 3.384 3.330 3.456 0.156 12 0 "[ . 1 . 2]" 2
29 1 69 TYR QB 1 85 TYR QD 1.800 . 6.000 3.957 3.103 4.505 . 0 0 "[ . 1 . 2]" 2
30 1 69 TYR HD2 1 85 TYR QD 1.800 . 3.300 3.184 2.455 3.347 0.047 12 0 "[ . 1 . 2]" 2
31 1 71 GLN QB 1 85 TYR QE 1.800 . 5.000 4.350 3.164 5.021 0.021 9 0 "[ . 1 . 2]" 2
32 1 83 THR HB 1 85 TYR QD 1.800 . 6.000 3.831 3.160 4.439 . 0 0 "[ . 1 . 2]" 2
33 1 83 THR MG 1 85 TYR QD 1.800 . 6.500 3.403 2.661 3.916 . 0 0 "[ . 1 . 2]" 2
34 1 83 THR HB 1 85 TYR QE 1.800 . 3.300 3.036 2.004 3.316 0.016 11 0 "[ . 1 . 2]" 2
35 1 83 THR MG 1 85 TYR QE 1.800 . 3.800 2.885 1.899 3.799 . 0 0 "[ . 1 . 2]" 2
36 1 84 ASP HA 1 85 TYR QD 1.800 . 6.000 4.151 2.760 5.124 . 0 0 "[ . 1 . 2]" 2
37 1 85 TYR HA 1 85 TYR QD 1.800 . 5.000 2.492 2.084 3.067 . 0 0 "[ . 1 . 2]" 2
38 1 57 PHE HZ 1 87 VAL MG1 1.800 . 3.800 2.800 2.002 3.563 . 0 0 "[ . 1 . 2]" 2
39 1 59 VAL QG 1 90 TYR QE 1.800 . 6.500 4.595 3.417 5.180 . 0 0 "[ . 1 . 2]" 2
40 1 64 VAL MG2 1 90 TYR QD 1.800 . 6.500 5.014 3.281 5.766 . 0 0 "[ . 1 . 2]" 2
41 1 67 MET QG 1 90 TYR HE2 1.800 . 5.000 4.041 1.953 5.926 0.926 15 3 "[- . * 1 + 2]" 2
42 1 67 MET H 1 90 TYR QE 1.800 . 6.000 4.613 3.874 5.746 . 0 0 "[ . 1 . 2]" 2
43 1 87 VAL MG1 1 90 TYR QD 1.800 . 5.500 3.720 3.108 4.943 . 0 0 "[ . 1 . 2]" 2
44 1 87 VAL MG1 1 90 TYR QE 1.800 . 3.800 2.013 1.842 3.170 . 0 0 "[ . 1 . 2]" 2
45 1 88 GLY QA 1 90 TYR QE 1.800 . 3.300 3.261 2.985 3.355 0.055 3 0 "[ . 1 . 2]" 2
46 1 88 GLY H 1 90 TYR QE 1.800 . 5.000 3.394 2.889 4.617 . 0 0 "[ . 1 . 2]" 2
47 1 89 SER HA 1 90 TYR QD 1.800 . 6.000 3.637 2.938 4.277 . 0 0 "[ . 1 . 2]" 2
48 1 89 SER HA 1 90 TYR QE 1.800 . 5.000 4.670 4.286 5.068 0.068 8 0 "[ . 1 . 2]" 2
49 1 89 SER H 1 90 TYR QE 1.800 . 5.000 4.435 3.832 4.630 . 0 0 "[ . 1 . 2]" 2
50 1 90 TYR HA 1 90 TYR QD 1.800 . 5.000 2.525 2.115 3.037 . 0 0 "[ . 1 . 2]" 2
51 1 90 TYR H 1 90 TYR QE 1.800 . 6.000 5.012 4.654 5.211 . 0 0 "[ . 1 . 2]" 2
52 1 56 SER HA 1 97 TYR H 1.800 . 6.000 4.626 3.743 5.838 . 0 0 "[ . 1 . 2]" 2
53 1 58 ARG HA 1 97 TYR QE 1.800 . 6.000 5.272 3.563 6.010 0.010 12 0 "[ . 1 . 2]" 2
54 1 59 VAL HB 1 97 TYR QE 1.800 . 3.300 2.463 1.965 3.300 0.000 10 0 "[ . 1 . 2]" 2
55 1 59 VAL QG 1 97 TYR HE1 1.800 . 5.500 4.339 2.304 6.286 0.786 16 2 "[ -. 1 .+ 2]" 2
56 1 90 TYR QE 1 97 TYR HA 1.800 . 6.000 5.492 4.537 6.047 0.047 12 0 "[ . 1 . 2]" 2
57 1 90 TYR QD 1 97 TYR QB 1.800 . 6.000 3.588 2.900 4.364 . 0 0 "[ . 1 . 2]" 2
58 1 90 TYR QE 1 97 TYR QB 1.800 . 5.000 3.249 1.939 4.192 . 0 0 "[ . 1 . 2]" 2
59 1 90 TYR QD 1 97 TYR QD 1.800 . 5.000 3.029 1.962 4.144 . 0 0 "[ . 1 . 2]" 2
60 1 90 TYR HB3 1 97 TYR QE 1.800 . 5.000 3.188 2.345 4.937 . 0 0 "[ . 1 . 2]" 2
61 1 90 TYR QD 1 97 TYR QE 1.800 . 5.000 3.135 2.210 4.775 . 0 0 "[ . 1 . 2]" 2
62 1 90 TYR QE 1 97 TYR QE 1.800 . 6.000 4.372 3.149 5.622 . 0 0 "[ . 1 . 2]" 2
63 1 92 PRO HA 1 97 TYR QE 1.800 . 5.000 4.499 3.539 5.031 0.031 2 0 "[ . 1 . 2]" 2
64 1 57 PHE QD 1 98 GLU HA 1.800 . 6.000 4.438 2.986 5.517 . 0 0 "[ . 1 . 2]" 2
65 1 85 TYR QE 1 101 THR HA 1.800 . 5.000 4.624 3.083 5.016 0.016 18 0 "[ . 1 . 2]" 2
66 1 85 TYR QE 1 101 THR HB 1.800 . 5.000 3.327 2.292 3.953 . 0 0 "[ . 1 . 2]" 2
67 1 85 TYR QD 1 101 THR MG 1.800 . 5.500 2.835 2.229 3.264 . 0 0 "[ . 1 . 2]" 2
68 1 85 TYR QE 1 101 THR MG 1.800 . 3.800 3.583 2.467 3.796 . 0 0 "[ . 1 . 2]" 2
69 1 85 TYR QE 1 102 PRO QG 1.800 . 5.000 3.277 2.777 3.946 . 0 0 "[ . 1 . 2]" 2
70 1 51 TYR QE 1 104 GLU QB 1.800 . 5.000 3.351 2.537 5.008 0.008 3 0 "[ . 1 . 2]" 2
71 1 51 TYR QE 1 104 GLU QG 1.800 . 6.000 3.863 2.529 6.026 0.026 3 0 "[ . 1 . 2]" 2
72 1 51 TYR QE 1 106 ALA HA 1.800 . 3.300 2.972 2.282 3.290 . 0 0 "[ . 1 . 2]" 2
73 1 51 TYR QE 1 107 PRO QD 1.800 . 6.000 4.236 3.564 4.588 . 0 0 "[ . 1 . 2]" 2
74 1 73 THR MG 1 116 TYR QD 1.800 . 3.200 2.542 2.195 3.051 . 0 0 "[ . 1 . 2]" 2
75 1 73 THR MG 1 116 TYR QE 1.800 . 5.500 3.835 3.389 4.366 . 0 0 "[ . 1 . 2]" 2
76 1 80 ILE MD 1 116 TYR QD 1.800 . 3.800 3.451 2.594 3.839 0.039 4 0 "[ . 1 . 2]" 2
77 1 80 ILE MD 1 116 TYR QE 1.800 . 3.200 3.145 2.374 3.229 0.029 7 0 "[ . 1 . 2]" 2
78 1 113 ARG HA 1 116 TYR QE 1.800 . 6.000 3.823 3.188 4.302 . 0 0 "[ . 1 . 2]" 2
79 1 114 GLY H 1 116 TYR QE 1.800 . 6.000 3.397 2.981 4.364 . 0 0 "[ . 1 . 2]" 2
80 1 115 SER HA 1 116 TYR QD 1.800 . 5.000 3.131 2.887 3.604 . 0 0 "[ . 1 . 2]" 2
81 1 116 TYR H 1 116 TYR QE 1.800 . 5.000 4.877 4.641 5.042 0.042 16 0 "[ . 1 . 2]" 2
82 1 72 HIS HD2 1 119 LYS HA 1.800 . 5.000 5.143 5.060 5.218 0.218 17 0 "[ . 1 . 2]" 2
83 1 74 TYR QE 1 119 LYS QB 1.800 . 3.300 2.861 1.962 3.314 0.014 18 0 "[ . 1 . 2]" 2
84 1 74 TYR QE 1 119 LYS QE 1.800 . 6.000 4.361 2.470 5.635 . 0 0 "[ . 1 . 2]" 2
85 1 69 TYR QE 1 120 SER HA 1.800 . 5.000 4.208 3.324 4.753 . 0 0 "[ . 1 . 2]" 2
86 1 11 VAL QG 1 122 PHE QE 1.800 . 5.500 3.052 2.072 4.287 . 0 0 "[ . 1 . 2]" 2
87 1 13 VAL MG2 1 122 PHE QE 1.800 . 3.800 3.269 2.695 3.810 0.010 8 0 "[ . 1 . 2]" 2
88 1 55 ILE MG 1 122 PHE QE 1.800 . 5.500 2.218 1.815 2.724 . 0 0 "[ . 1 . 2]" 2
89 1 57 PHE HZ 1 122 PHE HZ 1.800 . 5.000 4.648 3.357 5.055 0.055 14 0 "[ . 1 . 2]" 2
90 1 67 MET QG 1 122 PHE QE 1.800 . 6.000 3.087 1.830 4.514 . 0 0 "[ . 1 . 2]" 2
91 1 69 TYR HA 1 122 PHE QE 1.800 . 6.000 4.024 3.322 4.531 . 0 0 "[ . 1 . 2]" 2
92 1 87 VAL MG1 1 122 PHE HZ 1.800 . 3.800 3.208 2.228 3.805 0.005 4 0 "[ . 1 . 2]" 2
93 1 11 VAL QG 1 130 HIS HD2 1.800 . 6.500 3.129 2.595 5.211 . 0 0 "[ . 1 . 2]" 2
94 1 123 THR HA 1 130 HIS HD2 1.800 . 3.300 2.633 1.989 3.303 0.003 17 0 "[ . 1 . 2]" 2
95 1 16 LEU MD1 1 133 TRP HH2 1.800 . 3.800 3.598 3.225 3.820 0.020 7 0 "[ . 1 . 2]" 2
96 1 16 LEU QB 1 133 TRP HZ2 1.800 . 5.000 4.016 3.296 4.323 . 0 0 "[ . 1 . 2]" 2
97 1 16 LEU MD2 1 133 TRP HZ2 1.800 . 5.500 4.627 4.118 4.966 . 0 0 "[ . 1 . 2]" 2
98 1 29 LEU MD1 1 133 TRP HD1 1.800 . 5.500 3.985 3.065 4.797 . 0 0 "[ . 1 . 2]" 2
99 1 31 LEU MD1 1 133 TRP HE1 1.800 . 4.000 3.624 2.980 4.024 0.024 18 0 "[ . 1 . 2]" 2
100 1 15 ARG H 1 31 LEU MD1 1.800 . 4.000 3.859 3.473 4.027 0.027 20 0 "[ . 1 . 2]" 2
101 1 31 LEU MD1 1 133 TRP HZ2 1.800 . 6.500 3.341 2.543 4.120 . 0 0 "[ . 1 . 2]" 2
102 1 35 LEU MD2 1 133 TRP HD1 1.800 . 6.500 4.095 3.205 5.073 . 0 0 "[ . 1 . 2]" 2
103 1 55 ILE MG 1 133 TRP HH2 1.800 . 5.500 3.955 3.476 4.302 . 0 0 "[ . 1 . 2]" 2
104 1 122 PHE QB 1 133 TRP HE3 1.800 . 5.000 4.209 3.758 4.725 . 0 0 "[ . 1 . 2]" 2
105 1 122 PHE QB 1 133 TRP HZ3 1.800 . 5.000 2.146 1.957 2.637 . 0 0 "[ . 1 . 2]" 2
106 1 131 LEU QB 1 133 TRP HE3 1.800 . 5.000 4.078 3.260 4.675 . 0 0 "[ . 1 . 2]" 2
107 1 131 LEU MD2 1 133 TRP HE3 1.800 . 5.500 3.594 2.827 4.204 . 0 0 "[ . 1 . 2]" 2
108 1 131 LEU HG 1 133 TRP HE3 1.800 . 5.000 3.601 2.792 4.675 . 0 0 "[ . 1 . 2]" 2
109 1 131 LEU QB 1 133 TRP HZ3 1.800 . 5.000 3.772 3.019 4.838 . 0 0 "[ . 1 . 2]" 2
110 1 131 LEU MD2 1 133 TRP HZ3 1.800 . 6.500 4.124 2.958 5.213 . 0 0 "[ . 1 . 2]" 2
111 1 132 SER HA 1 133 TRP HE3 1.800 . 3.300 2.224 2.002 2.477 . 0 0 "[ . 1 . 2]" 2
112 1 133 TRP HA 1 133 TRP HD1 1.800 . 5.000 4.492 4.424 4.525 . 0 0 "[ . 1 . 2]" 2
113 1 133 TRP HA 1 133 TRP HE3 1.800 . 6.000 4.137 4.085 4.236 . 0 0 "[ . 1 . 2]" 2
114 1 133 TRP H 1 133 TRP HE3 1.800 . 3.500 2.274 2.192 2.733 . 0 0 "[ . 1 . 2]" 2
115 1 16 LEU MD1 1 135 TRP HH2 1.800 . 5.500 4.775 3.985 5.498 . 0 0 "[ . 1 . 2]" 2
116 1 18 LEU QD 1 135 TRP HE3 1.800 . 5.500 4.342 3.882 4.673 . 0 0 "[ . 1 . 2]" 2
117 1 18 LEU QD 1 135 TRP HZ2 1.800 . 5.500 3.941 3.427 4.246 . 0 0 "[ . 1 . 2]" 2
118 1 18 LEU QD 1 135 TRP HZ3 1.800 . 6.500 3.121 2.480 3.505 . 0 0 "[ . 1 . 2]" 2
119 1 53 ILE MD 1 135 TRP HH2 1.800 . 3.800 3.691 3.082 3.822 0.022 5 0 "[ . 1 . 2]" 2
120 1 53 ILE MD 1 135 TRP HZ2 1.800 . 3.800 3.751 3.479 3.856 0.056 13 0 "[ . 1 . 2]" 2
121 1 118 ILE MG 1 135 TRP HD1 1.800 . 6.500 4.295 3.622 4.824 . 0 0 "[ . 1 . 2]" 2
122 1 133 TRP HD1 1 135 TRP QB 1.800 . 3.300 3.098 2.957 3.324 0.024 11 0 "[ . 1 . 2]" 2
123 1 133 TRP HD1 1 135 TRP HD1 1.800 . 3.300 2.454 2.065 2.719 . 0 0 "[ . 1 . 2]" 2
124 1 134 GLU HA 1 135 TRP HD1 1.800 . 5.000 2.957 2.758 3.166 . 0 0 "[ . 1 . 2]" 2
125 1 135 TRP H 1 135 TRP HD1 1.800 . 3.500 2.369 2.180 2.784 . 0 0 "[ . 1 . 2]" 2
126 1 43 PHE QD 1 137 LEU MD2 1.800 . 5.500 5.289 3.857 5.535 0.035 12 0 "[ . 1 . 2]" 2
127 1 116 TYR QD 1 137 LEU MD2 1.800 . 5.500 4.380 3.902 5.399 . 0 0 "[ . 1 . 2]" 2
128 1 135 TRP HE3 1 137 LEU QB 1.800 . 6.000 3.783 3.175 5.345 . 0 0 "[ . 1 . 2]" 2
129 1 135 TRP HE3 1 137 LEU MD2 1.800 . 5.500 5.088 2.530 5.481 . 0 0 "[ . 1 . 2]" 2
130 1 135 TRP HH2 1 137 LEU MD2 1.800 . 3.800 3.570 2.946 3.808 0.008 8 0 "[ . 1 . 2]" 2
131 1 135 TRP HZ3 1 137 LEU MD2 1.800 . 6.500 3.500 2.073 3.862 . 0 0 "[ . 1 . 2]" 2
132 1 116 TYR QE 1 138 THR HA 1.800 . 6.000 5.136 4.685 5.737 . 0 0 "[ . 1 . 2]" 2
133 1 51 TYR QE 1 139 ILE MD 1.800 . 5.500 4.694 3.735 5.130 . 0 0 "[ . 1 . 2]" 2
134 1 116 TYR QE 1 139 ILE HB 1.800 . 3.300 3.288 2.969 3.326 0.026 14 0 "[ . 1 . 2]" 2
135 1 116 TYR QE 1 139 ILE HG13 1.800 . 5.000 3.318 2.576 3.695 . 0 0 "[ . 1 . 2]" 2
136 1 116 TYR QE 1 139 ILE HG12 1.800 . 5.000 3.476 2.904 3.764 . 0 0 "[ . 1 . 2]" 2
137 1 116 TYR QE 1 139 ILE MG 1.800 . 5.500 4.243 3.863 4.459 . 0 0 "[ . 1 . 2]" 2
138 1 116 TYR QE 1 139 ILE H 1.800 . 6.000 4.071 3.469 4.446 . 0 0 "[ . 1 . 2]" 2
139 1 23 ALA MB 1 143 TRP HH2 1.800 . 3.800 2.195 1.857 2.555 . 0 0 "[ . 1 . 2]" 2
140 1 23 ALA MB 1 143 TRP HZ3 1.800 . 5.000 2.769 2.137 3.358 . 0 0 "[ . 1 . 2]" 2
141 1 24 PRO QD 1 143 TRP HH2 1.800 . 5.000 3.967 2.808 4.918 . 0 0 "[ . 1 . 2]" 2
142 1 24 PRO QD 1 143 TRP HZ2 1.800 . 5.000 4.623 3.593 5.010 0.010 1 0 "[ . 1 . 2]" 2
143 1 45 LEU MD2 1 143 TRP HH2 1.800 . 3.800 3.111 2.466 3.859 0.059 10 0 "[ . 1 . 2]" 2
144 1 45 LEU HA 1 143 TRP HZ3 1.800 . 5.000 3.275 2.510 3.751 . 0 0 "[ . 1 . 2]" 2
145 1 45 LEU HA 1 143 TRP HH2 1.800 . 5.000 4.792 3.934 5.045 0.045 19 0 "[ . 1 . 2]" 2
146 1 45 LEU MD2 1 143 TRP HZ3 1.800 . 3.800 2.573 1.842 3.608 . 0 0 "[ . 1 . 2]" 2
147 1 49 VAL MG2 1 143 TRP HH2 1.800 . 3.800 3.292 2.150 3.831 0.031 3 0 "[ . 1 . 2]" 2
148 1 49 VAL MG2 1 143 TRP HZ2 1.800 . 3.800 3.477 2.814 3.897 0.097 20 0 "[ . 1 . 2]" 2
149 1 143 TRP HA 1 143 TRP HD1 1.800 . 5.000 3.844 3.754 3.976 . 0 0 "[ . 1 . 2]" 2
150 1 143 TRP HA 1 143 TRP HE3 1.800 . 5.000 5.002 4.845 5.080 0.080 10 0 "[ . 1 . 2]" 2
151 1 143 TRP H 1 143 TRP HD1 1.800 . 3.500 1.983 1.855 2.307 . 0 0 "[ . 1 . 2]" 2
152 1 69 TYR HA 1 69 TYR QD 1.800 . 5.000 2.227 2.103 2.661 . 0 0 "[ . 1 . 2]" 2
153 1 74 TYR QD 1 77 GLY QA 1.800 . 6.000 3.694 2.644 5.312 . 0 0 "[ . 1 . 2]" 2
154 1 99 PHE HA 1 99 PHE QD 1.800 . 5.000 2.180 2.001 2.349 . 0 0 "[ . 1 . 2]" 2
155 1 75 ARG HD3 1 116 TYR QD 1.800 . 6.000 4.473 2.916 5.702 . 0 0 "[ . 1 . 2]" 2
156 1 75 ARG HD2 1 116 TYR QD 1.800 . 6.000 4.595 2.930 5.792 . 0 0 "[ . 1 . 2]" 2
157 1 75 ARG QB 1 116 TYR QE 1.800 . 5.000 3.569 2.384 4.910 . 0 0 "[ . 1 . 2]" 2
158 1 75 ARG HD3 1 116 TYR QE 1.800 . 5.000 3.531 2.032 4.997 . 0 0 "[ . 1 . 2]" 2
159 1 75 ARG HD2 1 116 TYR QE 1.800 . 5.000 3.567 2.397 5.000 0.000 16 0 "[ . 1 . 2]" 2
160 1 116 TYR HA 1 116 TYR QD 1.800 . 5.000 3.020 2.863 3.078 . 0 0 "[ . 1 . 2]" 2
161 1 116 TYR QD 1 139 ILE HG12 1.800 . 6.000 2.794 2.259 3.105 . 0 0 "[ . 1 . 2]" 2
162 1 116 TYR QD 1 139 ILE HG13 1.800 . 6.000 3.584 2.980 3.971 . 0 0 "[ . 1 . 2]" 2
163 1 85 TYR HB3 1 99 PHE HE2 1.800 . 5.000 2.758 2.051 3.769 . 0 0 "[ . 1 . 2]" 2
164 1 85 TYR HB3 1 99 PHE HZ 1.800 . 5.000 3.432 2.576 5.008 0.008 14 0 "[ . 1 . 2]" 2
165 1 69 TYR QD 1 85 TYR HB2 1.800 . 5.000 2.748 1.992 3.551 . 0 0 "[ . 1 . 2]" 2
166 1 57 PHE QE 1 99 PHE HB3 1.800 . 5.000 3.316 2.332 4.175 . 0 0 "[ . 1 . 2]" 2
167 1 57 PHE QE 1 99 PHE HB2 1.800 . 5.000 2.466 1.987 3.268 . 0 0 "[ . 1 . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 407
_Distance_constraint_stats_list.Viol_count 417
_Distance_constraint_stats_list.Viol_total 275.397
_Distance_constraint_stats_list.Viol_max 0.300
_Distance_constraint_stats_list.Viol_rms 0.0142
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0017
_Distance_constraint_stats_list.Viol_average_violations_only 0.0330
_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 6 PRO 0.001 0.001 15 0 "[ . 1 . 2]"
1 7 ASN 0.001 0.001 15 0 "[ . 1 . 2]"
1 8 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 PRO 0.004 0.004 2 0 "[ . 1 . 2]"
1 10 ASN 0.903 0.079 8 0 "[ . 1 . 2]"
1 11 VAL 0.669 0.174 19 0 "[ . 1 . 2]"
1 12 VAL 0.055 0.030 19 0 "[ . 1 . 2]"
1 13 VAL 0.109 0.040 15 0 "[ . 1 . 2]"
1 14 THR 0.109 0.040 15 0 "[ . 1 . 2]"
1 15 ARG 0.035 0.025 1 0 "[ . 1 . 2]"
1 16 LEU 0.139 0.055 17 0 "[ . 1 . 2]"
1 17 THR 0.037 0.011 20 0 "[ . 1 . 2]"
1 18 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 VAL 0.064 0.030 3 0 "[ . 1 . 2]"
1 20 CYS 0.030 0.030 3 0 "[ . 1 . 2]"
1 21 SER 1.384 0.156 20 0 "[ . 1 . 2]"
1 22 THR 0.090 0.018 15 0 "[ . 1 . 2]"
1 28 GLU 0.114 0.025 16 0 "[ . 1 . 2]"
1 29 LEU 0.033 0.017 11 0 "[ . 1 . 2]"
1 30 ASP 0.093 0.061 12 0 "[ . 1 . 2]"
1 31 LEU 0.040 0.017 13 0 "[ . 1 . 2]"
1 32 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 LEU 0.328 0.032 2 0 "[ . 1 . 2]"
1 36 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 SER 0.027 0.027 7 0 "[ . 1 . 2]"
1 38 PHE 0.019 0.007 12 0 "[ . 1 . 2]"
1 39 LYS 2.858 0.300 7 0 "[ . 1 . 2]"
1 40 LYS 0.027 0.027 7 0 "[ . 1 . 2]"
1 41 GLN 0.019 0.007 12 0 "[ . 1 . 2]"
1 42 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 PHE 0.195 0.061 12 0 "[ . 1 . 2]"
1 44 VAL 0.192 0.045 1 0 "[ . 1 . 2]"
1 45 LEU 0.245 0.045 8 0 "[ . 1 . 2]"
1 46 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 GLU 0.118 0.074 1 0 "[ . 1 . 2]"
1 48 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 VAL 0.616 0.109 13 0 "[ . 1 . 2]"
1 50 GLU 0.644 0.109 13 0 "[ . 1 . 2]"
1 51 TYR 0.487 0.063 19 0 "[ . 1 . 2]"
1 52 ARG 0.029 0.013 1 0 "[ . 1 . 2]"
1 53 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 LYS 0.169 0.055 17 0 "[ . 1 . 2]"
1 55 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 SER 0.070 0.025 1 0 "[ . 1 . 2]"
1 57 PHE 0.315 0.043 12 0 "[ . 1 . 2]"
1 58 ARG 0.187 0.075 8 0 "[ . 1 . 2]"
1 59 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 ASN 0.351 0.079 8 0 "[ . 1 . 2]"
1 61 ARG 0.213 0.057 1 0 "[ . 1 . 2]"
1 62 GLU 0.167 0.054 19 0 "[ . 1 . 2]"
1 63 ILE 0.346 0.052 12 0 "[ . 1 . 2]"
1 64 VAL 1.344 0.174 19 0 "[ . 1 . 2]"
1 65 SER 0.019 0.006 14 0 "[ . 1 . 2]"
1 66 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 MET 0.173 0.073 12 0 "[ . 1 . 2]"
1 68 LYS 0.959 0.073 12 0 "[ . 1 . 2]"
1 69 TYR 0.023 0.011 12 0 "[ . 1 . 2]"
1 70 ILE 0.065 0.022 8 0 "[ . 1 . 2]"
1 71 GLN 0.011 0.011 5 0 "[ . 1 . 2]"
1 72 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 THR 0.114 0.038 17 0 "[ . 1 . 2]"
1 74 TYR 0.028 0.013 14 0 "[ . 1 . 2]"
1 75 ARG 0.047 0.047 18 0 "[ . 1 . 2]"
1 77 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 ILE 0.016 0.009 3 0 "[ . 1 . 2]"
1 81 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 TYR 0.015 0.011 5 0 "[ . 1 . 2]"
1 86 MET 0.014 0.011 16 0 "[ . 1 . 2]"
1 87 VAL 0.210 0.067 8 0 "[ . 1 . 2]"
1 88 GLY 0.060 0.024 4 0 "[ . 1 . 2]"
1 89 SER 0.019 0.006 14 0 "[ . 1 . 2]"
1 90 TYR 0.135 0.052 12 0 "[ . 1 . 2]"
1 91 GLY 0.021 0.010 19 0 "[ . 1 . 2]"
1 92 PRO 0.066 0.023 12 0 "[ . 1 . 2]"
1 93 ARG 0.052 0.018 6 0 "[ . 1 . 2]"
1 96 GLU 0.445 0.075 8 0 "[ . 1 . 2]"
1 97 TYR 0.026 0.011 15 0 "[ . 1 . 2]"
1 98 GLU 0.102 0.026 15 0 "[ . 1 . 2]"
1 99 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 101 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 102 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 103 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 104 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 105 GLU 0.031 0.031 3 0 "[ . 1 . 2]"
1 106 ALA 0.487 0.063 19 0 "[ . 1 . 2]"
1 107 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 108 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 110 MET 0.335 0.166 10 0 "[ . 1 . 2]"
1 113 ARG 0.403 0.166 10 0 "[ . 1 . 2]"
1 114 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 115 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 116 TYR 0.047 0.047 18 0 "[ . 1 . 2]"
1 117 ASN 0.147 0.038 17 0 "[ . 1 . 2]"
1 118 ILE 0.033 0.018 9 0 "[ . 1 . 2]"
1 119 LYS 0.013 0.013 14 0 "[ . 1 . 2]"
1 120 SER 0.005 0.005 12 0 "[ . 1 . 2]"
1 121 ARG 0.060 0.022 8 0 "[ . 1 . 2]"
1 122 PHE 0.056 0.020 5 0 "[ . 1 . 2]"
1 123 THR 0.097 0.025 17 0 "[ . 1 . 2]"
1 124 ASP 0.799 0.075 1 0 "[ . 1 . 2]"
1 125 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 126 ASP 0.132 0.058 19 0 "[ . 1 . 2]"
1 127 ARG 0.353 0.075 1 0 "[ . 1 . 2]"
1 128 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 130 HIS 0.156 0.030 19 0 "[ . 1 . 2]"
1 131 LEU 1.171 0.298 12 0 "[ . 1 . 2]"
1 132 SER 0.618 0.298 12 0 "[ . 1 . 2]"
1 133 TRP 0.304 0.032 2 0 "[ . 1 . 2]"
1 134 GLU 0.077 0.023 10 0 "[ . 1 . 2]"
1 135 TRP 0.031 0.026 15 0 "[ . 1 . 2]"
1 136 ASN 0.101 0.025 9 0 "[ . 1 . 2]"
1 137 LEU 0.067 0.025 9 0 "[ . 1 . 2]"
1 138 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 139 ILE 0.004 0.004 6 0 "[ . 1 . 2]"
1 140 LYS 0.008 0.005 11 0 "[ . 1 . 2]"
1 141 LYS 0.210 0.049 8 0 "[ . 1 . 2]"
1 142 GLU 0.484 0.074 1 0 "[ . 1 . 2]"
1 143 TRP 0.520 0.045 1 0 "[ . 1 . 2]"
1 144 LYS 0.409 0.066 4 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 87 VAL MG2 1 122 PHE HZ 1.800 . 5.500 2.966 1.891 3.914 . 0 0 "[ . 1 . 2]" 3
2 1 67 MET QB 1 87 VAL MG2 1.800 . 5.500 3.218 2.410 3.626 . 0 0 "[ . 1 . 2]" 3
3 1 68 LYS HA 1 87 VAL MG2 1.800 . 3.800 2.561 2.127 3.063 . 0 0 "[ . 1 . 2]" 3
4 1 87 VAL MG2 1 99 PHE QE 1.800 . 5.500 3.250 2.709 3.731 . 0 0 "[ . 1 . 2]" 3
5 1 8 VAL HA 1 9 PRO QD 1.800 . 2.700 2.151 2.000 2.470 . 0 0 "[ . 1 . 2]" 3
6 1 13 VAL HA 1 13 VAL MG1 1.800 . 3.200 2.351 2.232 2.436 . 0 0 "[ . 1 . 2]" 3
7 1 13 VAL HA 1 14 THR MG 1.800 . 3.800 3.751 3.551 3.840 0.040 15 0 "[ . 1 . 2]" 3
8 1 21 SER HA 1 21 SER HB3 1.800 . 2.700 2.559 2.381 2.829 0.129 11 0 "[ . 1 . 2]" 3
9 1 21 SER HA 1 21 SER HB2 1.800 . 2.700 2.579 2.309 2.856 0.156 20 0 "[ . 1 . 2]" 3
10 1 21 SER HB3 1 22 THR MG 1.800 . 5.500 3.936 2.548 4.557 . 0 0 "[ . 1 . 2]" 3
11 1 17 THR MG 1 28 GLU HA 1.800 . 3.800 3.614 3.142 3.805 0.005 14 0 "[ . 1 . 2]" 3
12 1 15 ARG QB 1 30 ASP HA 1.800 . 5.000 4.220 3.288 4.596 . 0 0 "[ . 1 . 2]" 3
13 1 15 ARG QD 1 30 ASP HA 1.800 . 5.000 4.084 3.176 4.984 . 0 0 "[ . 1 . 2]" 3
14 1 15 ARG HG3 1 30 ASP HA 1.800 . 5.000 3.133 1.993 4.109 . 0 0 "[ . 1 . 2]" 3
15 1 15 ARG HG2 1 30 ASP HA 1.800 . 5.000 2.799 2.054 3.763 . 0 0 "[ . 1 . 2]" 3
16 1 29 LEU QB 1 30 ASP HA 1.800 . 5.000 4.541 4.243 4.776 . 0 0 "[ . 1 . 2]" 3
17 1 30 ASP HA 1 30 ASP HB2 1.800 . 2.700 2.632 2.504 2.701 0.001 12 0 "[ . 1 . 2]" 3
18 1 15 ARG HA 1 31 LEU HG 1.800 . 5.000 4.276 3.020 5.009 0.009 18 0 "[ . 1 . 2]" 3
19 1 30 ASP HA 1 31 LEU HG 1.800 . 5.000 4.311 3.550 4.776 . 0 0 "[ . 1 . 2]" 3
20 1 31 LEU HA 1 31 LEU MD2 1.800 . 3.200 2.682 2.101 3.217 0.017 13 0 "[ . 1 . 2]" 3
21 1 34 ASP QB 1 37 SER QB 1.800 . 5.000 3.325 2.320 4.629 . 0 0 "[ . 1 . 2]" 3
22 1 29 LEU MD2 1 38 PHE HA 1.800 . 5.500 3.619 2.836 4.850 . 0 0 "[ . 1 . 2]" 3
23 1 38 PHE HA 1 38 PHE HB3 1.800 . 2.700 2.531 2.393 2.677 . 0 0 "[ . 1 . 2]" 3
24 1 38 PHE HB2 1 39 LYS HA 1.800 . 5.000 4.419 4.079 4.767 . 0 0 "[ . 1 . 2]" 3
25 1 39 LYS HA 1 39 LYS HB3 1.800 . 2.700 2.496 2.400 2.654 . 0 0 "[ . 1 . 2]" 3
26 1 39 LYS HA 1 39 LYS HB2 1.800 . 2.700 2.737 2.476 3.000 0.300 7 0 "[ . 1 . 2]" 3
27 1 37 SER HA 1 40 LYS QD 1.800 . 5.000 3.890 2.569 5.027 0.027 7 0 "[ . 1 . 2]" 3
28 1 38 PHE HA 1 41 GLN QB 1.800 . 5.000 3.924 2.516 5.007 0.007 12 0 "[ . 1 . 2]" 3
29 1 38 PHE HA 1 41 GLN QG 1.800 . 5.000 3.670 1.913 5.005 0.005 5 0 "[ . 1 . 2]" 3
30 1 43 PHE HA 1 44 VAL MG2 1.800 . 5.500 3.616 3.260 3.813 . 0 0 "[ . 1 . 2]" 3
31 1 49 VAL HA 1 49 VAL HB 1.800 . 2.700 2.470 2.426 2.489 . 0 0 "[ . 1 . 2]" 3
32 1 13 VAL HA 1 55 ILE MG 1.800 . 5.500 3.667 3.300 4.144 . 0 0 "[ . 1 . 2]" 3
33 1 16 LEU QB 1 55 ILE HA 1.800 . 5.000 4.280 3.761 4.714 . 0 0 "[ . 1 . 2]" 3
34 1 16 LEU HA 1 55 ILE QG 1.800 . 5.000 4.765 4.568 4.986 . 0 0 "[ . 1 . 2]" 3
35 1 16 LEU HA 1 55 ILE MG 1.800 . 5.500 3.981 3.729 4.243 . 0 0 "[ . 1 . 2]" 3
36 1 15 ARG QB 1 56 SER QB 1.800 . 3.300 2.590 2.150 3.325 0.025 1 0 "[ . 1 . 2]" 3
37 1 13 VAL HA 1 57 PHE HB3 1.800 . 3.300 2.319 1.982 3.028 . 0 0 "[ . 1 . 2]" 3
38 1 13 VAL HA 1 57 PHE HB2 1.800 . 5.000 3.378 2.802 3.766 . 0 0 "[ . 1 . 2]" 3
39 1 14 THR MG 1 58 ARG HA 1.800 . 5.500 3.515 3.009 3.935 . 0 0 "[ . 1 . 2]" 3
40 1 11 VAL QG 1 59 VAL HA 1.800 . 3.800 2.521 1.945 3.144 . 0 0 "[ . 1 . 2]" 3
41 1 11 VAL HA 1 59 VAL QG 1.800 . 5.500 3.045 2.290 3.746 . 0 0 "[ . 1 . 2]" 3
42 1 59 VAL HA 1 59 VAL QG 1.800 . 3.200 2.102 2.047 2.170 . 0 0 "[ . 1 . 2]" 3
43 1 10 ASN HA 1 60 ASN QB 1.800 . 5.000 4.829 4.434 5.079 0.079 8 0 "[ . 1 . 2]" 3
44 1 10 ASN HA 1 61 ARG QB 1.800 . 3.300 2.092 1.825 3.323 0.023 19 0 "[ . 1 . 2]" 3
45 1 10 ASN HA 1 61 ARG QG 1.800 . 5.000 3.228 1.957 4.611 . 0 0 "[ . 1 . 2]" 3
46 1 64 VAL HA 1 64 VAL MG2 1.800 . 3.200 2.298 2.241 2.433 . 0 0 "[ . 1 . 2]" 3
47 1 63 ILE MG 1 65 SER HA 1.800 . 5.500 3.795 3.490 4.466 . 0 0 "[ . 1 . 2]" 3
48 1 63 ILE MG 1 65 SER QB 1.800 . 5.500 2.755 2.405 3.215 . 0 0 "[ . 1 . 2]" 3
49 1 64 VAL MG1 1 65 SER HA 1.800 . 5.500 4.297 3.923 4.557 . 0 0 "[ . 1 . 2]" 3
50 1 64 VAL MG1 1 67 MET HA 1.800 . 5.500 3.133 2.651 3.503 . 0 0 "[ . 1 . 2]" 3
51 1 70 ILE HA 1 70 ILE QG 1.800 . 3.300 2.468 2.302 2.981 . 0 0 "[ . 1 . 2]" 3
52 1 70 ILE HA 1 70 ILE MG 1.800 . 3.200 2.355 2.288 2.436 . 0 0 "[ . 1 . 2]" 3
53 1 70 ILE MG 1 71 GLN HA 1.800 . 5.500 3.516 3.358 3.832 . 0 0 "[ . 1 . 2]" 3
54 1 70 ILE HA 1 71 GLN QB 1.800 . 5.000 3.888 3.759 4.290 . 0 0 "[ . 1 . 2]" 3
55 1 73 THR MG 1 74 TYR HA 1.800 . 5.500 4.552 4.268 4.899 . 0 0 "[ . 1 . 2]" 3
56 1 78 VAL HA 1 78 VAL QG 1.800 . 3.200 2.162 2.046 2.345 . 0 0 "[ . 1 . 2]" 3
57 1 72 HIS HA 1 82 LYS QB 1.800 . 3.300 2.032 1.911 2.604 . 0 0 "[ . 1 . 2]" 3
58 1 70 ILE HA 1 84 ASP QB 1.800 . 5.000 3.808 3.051 4.278 . 0 0 "[ . 1 . 2]" 3
59 1 65 SER HB3 1 89 SER HA 1.800 . 5.000 4.551 4.085 5.006 0.006 14 0 "[ . 1 . 2]" 3
60 1 65 SER HB2 1 89 SER HA 1.800 . 5.000 4.563 4.185 5.005 0.005 14 0 "[ . 1 . 2]" 3
61 1 59 VAL QG 1 90 TYR HA 1.800 . 5.500 4.150 3.783 4.505 . 0 0 "[ . 1 . 2]" 3
62 1 59 VAL QG 1 90 TYR HB3 1.800 . 3.800 2.537 1.909 2.877 . 0 0 "[ . 1 . 2]" 3
63 1 59 VAL QG 1 90 TYR HB2 1.800 . 3.800 2.516 1.897 3.561 . 0 0 "[ . 1 . 2]" 3
64 1 90 TYR HA 1 90 TYR HB3 1.800 . 2.700 2.513 2.381 2.660 . 0 0 "[ . 1 . 2]" 3
65 1 61 ARG HA 1 92 PRO QG 1.800 . 5.000 4.487 4.031 4.922 . 0 0 "[ . 1 . 2]" 3
66 1 63 ILE QG 1 92 PRO QD 1.800 . 3.300 1.908 1.777 2.329 0.023 12 0 "[ . 1 . 2]" 3
67 1 63 ILE H 1 92 PRO HD3 1.800 . 5.000 3.090 2.803 3.636 . 0 0 "[ . 1 . 2]" 3
68 1 63 ILE H 1 92 PRO HD2 1.800 . 5.000 4.095 3.554 4.392 . 0 0 "[ . 1 . 2]" 3
69 1 56 SER QB 1 96 GLU QB 1.800 . 5.000 3.887 2.723 4.812 . 0 0 "[ . 1 . 2]" 3
70 1 58 ARG QB 1 96 GLU HA 1.800 . 5.000 3.831 1.974 4.377 . 0 0 "[ . 1 . 2]" 3
71 1 58 ARG QG 1 96 GLU HA 1.800 . 3.300 2.959 1.976 3.375 0.075 8 0 "[ . 1 . 2]" 3
72 1 56 SER HA 1 98 GLU QG 1.800 . 5.000 3.578 2.123 5.025 0.025 7 0 "[ . 1 . 2]" 3
73 1 87 VAL MG1 1 99 PHE HA 1.800 . 5.500 3.695 3.325 3.936 . 0 0 "[ . 1 . 2]" 3
74 1 101 THR HA 1 102 PRO HD3 1.800 . 3.300 2.424 2.376 2.500 . 0 0 "[ . 1 . 2]" 3
75 1 101 THR HA 1 102 PRO HD2 1.800 . 3.300 2.380 2.233 2.491 . 0 0 "[ . 1 . 2]" 3
76 1 47 GLU HA 1 106 ALA MB 1.800 . 5.500 4.411 3.306 5.131 . 0 0 "[ . 1 . 2]" 3
77 1 51 TYR QD 1 106 ALA HA 1.800 . 5.000 4.917 3.385 5.063 0.063 19 0 "[ . 1 . 2]" 3
78 1 110 MET HA 1 113 ARG HD3 1.800 . 3.300 2.980 2.039 3.324 0.024 4 0 "[ . 1 . 2]" 3
79 1 110 MET HA 1 113 ARG HD2 1.800 . 3.300 3.192 2.698 3.466 0.166 10 0 "[ . 1 . 2]" 3
80 1 73 THR MG 1 116 TYR HA 1.800 . 5.500 4.767 4.301 5.138 . 0 0 "[ . 1 . 2]" 3
81 1 75 ARG QG 1 116 TYR HA 1.800 . 5.000 3.912 2.924 5.047 0.047 18 0 "[ . 1 . 2]" 3
82 1 71 GLN HA 1 118 ILE MG 1.800 . 5.500 3.436 3.066 3.853 . 0 0 "[ . 1 . 2]" 3
83 1 73 THR MG 1 118 ILE HA 1.800 . 5.500 4.540 4.197 4.865 . 0 0 "[ . 1 . 2]" 3
84 1 72 HIS HB3 1 119 LYS QB 1.800 . 5.000 3.222 3.140 3.371 . 0 0 "[ . 1 . 2]" 3
85 1 72 HIS HB2 1 119 LYS QB 1.800 . 5.000 1.874 1.843 1.944 . 0 0 "[ . 1 . 2]" 3
86 1 71 GLN QB 1 120 SER HA 1.800 . 5.000 3.490 2.756 4.094 . 0 0 "[ . 1 . 2]" 3
87 1 71 GLN QG 1 120 SER HA 1.800 . 5.000 3.565 2.728 4.747 . 0 0 "[ . 1 . 2]" 3
88 1 131 LEU HA 1 131 LEU HG 1.800 . 3.300 2.739 2.505 3.557 0.257 9 0 "[ . 1 . 2]" 3
89 1 121 ARG QB 1 132 SER HA 1.800 . 5.000 4.474 3.924 4.871 . 0 0 "[ . 1 . 2]" 3
90 1 35 LEU MD1 1 133 TRP HA 1.800 . 3.800 3.740 3.181 3.832 0.032 2 0 "[ . 1 . 2]" 3
91 1 35 LEU MD2 1 133 TRP HA 1.800 . 5.500 4.590 3.282 5.488 . 0 0 "[ . 1 . 2]" 3
92 1 132 SER HA 1 133 TRP HZ3 1.800 . 5.000 3.094 2.905 3.399 . 0 0 "[ . 1 . 2]" 3
93 1 133 TRP HA 1 133 TRP HB3 1.800 . 2.700 2.495 2.476 2.509 . 0 0 "[ . 1 . 2]" 3
94 1 133 TRP HA 1 133 TRP HB2 1.800 . 2.700 2.454 2.440 2.476 . 0 0 "[ . 1 . 2]" 3
95 1 29 LEU MD1 1 135 TRP HA 1.800 . 5.500 4.624 4.014 5.275 . 0 0 "[ . 1 . 2]" 3
96 1 38 PHE HB3 1 135 TRP HA 1.800 . 5.000 2.678 2.022 3.419 . 0 0 "[ . 1 . 2]" 3
97 1 39 LYS HA 1 135 TRP HA 1.800 . 5.000 4.382 3.268 5.026 0.026 15 0 "[ . 1 . 2]" 3
98 1 43 PHE QB 1 137 LEU HA 1.800 . 5.000 2.792 2.003 3.663 . 0 0 "[ . 1 . 2]" 3
99 1 115 SER HB2 1 138 THR HA 1.800 . 5.000 4.307 4.093 4.494 . 0 0 "[ . 1 . 2]" 3
100 1 137 LEU HA 1 138 THR HB 1.800 . 5.000 4.593 4.526 4.649 . 0 0 "[ . 1 . 2]" 3
101 1 45 LEU QB 1 139 ILE HA 1.800 . 3.300 2.903 2.316 3.297 . 0 0 "[ . 1 . 2]" 3
102 1 107 PRO HD3 1 139 ILE QG 1.800 . 5.000 4.504 3.863 4.981 . 0 0 "[ . 1 . 2]" 3
103 1 107 PRO HD2 1 139 ILE QG 1.800 . 5.000 3.276 2.752 3.633 . 0 0 "[ . 1 . 2]" 3
104 1 139 ILE HA 1 139 ILE MD 1.800 . 3.200 2.019 1.946 2.097 . 0 0 "[ . 1 . 2]" 3
105 1 113 ARG QD 1 140 LYS HA 1.800 . 5.000 3.984 2.650 4.464 . 0 0 "[ . 1 . 2]" 3
106 1 138 THR MG 1 140 LYS HA 1.800 . 5.500 4.641 4.430 4.882 . 0 0 "[ . 1 . 2]" 3
107 1 47 GLU QG 1 141 LYS HA 1.800 . 3.300 2.707 2.080 3.344 0.044 7 0 "[ . 1 . 2]" 3
108 1 113 ARG QD 1 141 LYS HA 1.800 . 5.000 4.339 3.083 5.000 . 0 0 "[ . 1 . 2]" 3
109 1 113 ARG QG 1 141 LYS HA 1.800 . 5.000 4.502 3.628 5.033 0.033 16 0 "[ . 1 . 2]" 3
110 1 22 THR HB 1 143 TRP HZ2 1.800 . 5.000 4.825 3.725 5.018 0.018 15 0 "[ . 1 . 2]" 3
111 1 140 LYS QD 1 143 TRP HA 1.800 . 5.000 3.915 2.124 4.998 . 0 0 "[ . 1 . 2]" 3
112 1 9 PRO QB 1 12 VAL MG2 1.800 . 3.800 2.533 1.796 3.621 0.004 2 0 "[ . 1 . 2]" 3
113 1 11 VAL HA 1 12 VAL MG2 1.800 . 5.500 3.734 3.494 4.593 . 0 0 "[ . 1 . 2]" 3
114 1 12 VAL HA 1 12 VAL MG1 1.800 . 3.200 2.400 2.310 2.445 . 0 0 "[ . 1 . 2]" 3
115 1 17 THR HA 1 17 THR MG 1.800 . 3.200 2.239 2.111 2.373 . 0 0 "[ . 1 . 2]" 3
116 1 18 LEU HA 1 19 VAL MG2 1.800 . 5.500 3.818 3.652 4.029 . 0 0 "[ . 1 . 2]" 3
117 1 19 VAL HA 1 19 VAL MG1 1.800 . 3.200 2.351 2.301 2.439 . 0 0 "[ . 1 . 2]" 3
118 1 19 VAL MG1 1 20 CYS HA 1.800 . 3.800 3.527 3.405 3.830 0.030 3 0 "[ . 1 . 2]" 3
119 1 12 VAL MG1 1 32 THR HA 1.800 . 5.500 3.493 2.907 3.963 . 0 0 "[ . 1 . 2]" 3
120 1 44 VAL HA 1 44 VAL MG1 1.800 . 3.200 2.357 2.284 2.444 . 0 0 "[ . 1 . 2]" 3
121 1 44 VAL HA 1 44 VAL MG2 1.800 . 3.200 2.351 2.280 2.431 . 0 0 "[ . 1 . 2]" 3
122 1 19 VAL MG2 1 52 ARG QD 1.800 . 5.500 4.729 3.130 5.513 0.013 1 0 "[ . 1 . 2]" 3
123 1 17 THR MG 1 54 LYS QE 1.800 . 3.800 3.240 2.427 3.811 0.011 20 0 "[ . 1 . 2]" 3
124 1 19 VAL MG2 1 54 LYS QE 1.800 . 3.800 2.890 1.816 3.805 0.005 10 0 "[ . 1 . 2]" 3
125 1 57 PHE QE 1 59 VAL QG 1.800 . 3.800 2.445 1.979 3.760 . 0 0 "[ . 1 . 2]" 3
126 1 11 VAL QG 1 64 VAL MG2 1.800 . 3.700 1.773 1.626 1.897 0.174 19 0 "[ . 1 . 2]" 3
127 1 63 ILE HA 1 64 VAL MG2 1.800 . 3.800 3.737 3.275 3.837 0.037 16 0 "[ . 1 . 2]" 3
128 1 59 VAL QG 1 97 TYR QD 1.800 . 3.800 2.469 1.951 2.981 . 0 0 "[ . 1 . 2]" 3
129 1 59 VAL QG 1 97 TYR QE 1.800 . 3.800 2.909 1.968 3.450 . 0 0 "[ . 1 . 2]" 3
130 1 12 VAL MG2 1 130 HIS QB 1.800 . 3.800 3.552 3.156 3.830 0.030 19 0 "[ . 1 . 2]" 3
131 1 12 VAL MG1 1 131 LEU QB 1.800 . 3.800 2.600 2.119 3.491 . 0 0 "[ . 1 . 2]" 3
132 1 115 SER HA 1 138 THR MG 1.800 . 3.800 3.598 3.340 3.733 . 0 0 "[ . 1 . 2]" 3
133 1 44 VAL MG1 1 140 LYS QE 1.800 . 3.800 3.050 1.795 3.803 0.005 11 0 "[ . 1 . 2]" 3
134 1 44 VAL MG1 1 143 TRP HA 1.800 . 3.800 3.550 2.924 3.845 0.045 1 0 "[ . 1 . 2]" 3
135 1 43 PHE QD 1 44 VAL H 1.800 . 5.000 4.070 3.033 4.634 . 0 0 "[ . 1 . 2]" 3
136 1 44 VAL HB 1 45 LEU H 1.800 . 5.000 4.211 3.869 4.444 . 0 0 "[ . 1 . 2]" 3
137 1 44 VAL MG1 1 45 LEU H 1.800 . 5.500 2.713 2.052 3.253 . 0 0 "[ . 1 . 2]" 3
138 1 44 VAL MG2 1 45 LEU H 1.800 . 5.500 4.095 3.928 4.257 . 0 0 "[ . 1 . 2]" 3
139 1 45 LEU H 1 45 LEU MD1 1.800 . 5.500 4.304 3.850 4.789 . 0 0 "[ . 1 . 2]" 3
140 1 45 LEU H 1 45 LEU MD2 1.800 . 5.500 4.022 3.092 4.358 . 0 0 "[ . 1 . 2]" 3
141 1 45 LEU H 1 45 LEU HG 1.800 . 5.000 3.778 2.522 4.618 . 0 0 "[ . 1 . 2]" 3
142 1 46 LYS QB 1 47 GLU H 1.800 . 5.000 3.315 2.889 3.697 . 0 0 "[ . 1 . 2]" 3
143 1 46 LYS QD 1 47 GLU H 1.800 . 5.000 4.328 3.326 4.917 . 0 0 "[ . 1 . 2]" 3
144 1 46 LYS QG 1 47 GLU H 1.800 . 5.000 2.404 1.900 4.448 . 0 0 "[ . 1 . 2]" 3
145 1 47 GLU H 1 47 GLU QB 1.800 . 2.900 2.342 2.150 2.627 . 0 0 "[ . 1 . 2]" 3
146 1 49 VAL H 1 49 VAL MG1 1.800 . 3.400 2.320 2.011 2.530 . 0 0 "[ . 1 . 2]" 3
147 1 49 VAL H 1 49 VAL MG2 1.800 . 3.400 1.932 1.887 2.063 . 0 0 "[ . 1 . 2]" 3
148 1 49 VAL MG1 1 50 GLU H 1.800 . 4.000 3.922 3.657 4.109 0.109 13 0 "[ . 1 . 2]" 3
149 1 49 VAL MG2 1 50 GLU H 1.800 . 4.000 3.613 2.635 4.076 0.076 13 0 "[ . 1 . 2]" 3
150 1 50 GLU HB3 1 51 TYR H 1.800 . 5.000 4.216 3.096 4.617 . 0 0 "[ . 1 . 2]" 3
151 1 50 GLU HB2 1 51 TYR H 1.800 . 5.000 4.425 3.701 4.707 . 0 0 "[ . 1 . 2]" 3
152 1 16 LEU HA 1 54 LYS H 1.800 . 5.000 4.921 4.628 5.055 0.055 17 0 "[ . 1 . 2]" 3
153 1 16 LEU HG 1 54 LYS H 1.800 . 5.000 4.530 3.668 5.017 0.017 5 0 "[ . 1 . 2]" 3
154 1 17 THR MG 1 54 LYS H 1.800 . 5.500 4.182 3.659 4.832 . 0 0 "[ . 1 . 2]" 3
155 1 18 LEU HG 1 54 LYS H 1.800 . 5.000 4.248 3.658 4.987 . 0 0 "[ . 1 . 2]" 3
156 1 53 ILE HB 1 54 LYS H 1.800 . 5.000 3.978 3.625 4.184 . 0 0 "[ . 1 . 2]" 3
157 1 53 ILE MG 1 54 LYS H 1.800 . 5.500 2.298 1.927 2.616 . 0 0 "[ . 1 . 2]" 3
158 1 55 ILE MG 1 57 PHE H 1.800 . 5.500 4.449 3.949 4.829 . 0 0 "[ . 1 . 2]" 3
159 1 12 VAL MG1 1 58 ARG H 1.800 . 5.500 5.005 4.750 5.289 . 0 0 "[ . 1 . 2]" 3
160 1 59 VAL QG 1 60 ASN H 1.800 . 4.000 3.321 3.002 3.511 . 0 0 "[ . 1 . 2]" 3
161 1 10 ASN HA 1 61 ARG H 1.800 . 6.000 4.101 3.486 5.014 . 0 0 "[ . 1 . 2]" 3
162 1 59 VAL QG 1 61 ARG H 1.800 . 5.500 2.981 2.462 3.366 . 0 0 "[ . 1 . 2]" 3
163 1 60 ASN H 1 61 ARG QB 1.800 . 6.000 3.474 3.359 3.597 . 0 0 "[ . 1 . 2]" 3
164 1 10 ASN HA 1 62 GLU H 1.800 . 5.000 4.358 3.546 5.054 0.054 19 0 "[ . 1 . 2]" 3
165 1 59 VAL QG 1 62 GLU H 1.800 . 4.000 3.653 2.992 3.971 . 0 0 "[ . 1 . 2]" 3
166 1 60 ASN HA 1 62 GLU H 1.800 . 6.000 5.355 5.203 5.584 . 0 0 "[ . 1 . 2]" 3
167 1 61 ARG QB 1 62 GLU H 1.800 . 5.000 1.992 1.958 2.204 . 0 0 "[ . 1 . 2]" 3
168 1 63 ILE H 1 63 ILE HB 1.800 . 3.500 2.391 2.339 2.424 . 0 0 "[ . 1 . 2]" 3
169 1 63 ILE H 1 63 ILE QG 1.800 . 5.000 2.167 1.970 2.825 . 0 0 "[ . 1 . 2]" 3
170 1 63 ILE HB 1 64 VAL H 1.800 . 5.000 4.366 3.652 4.468 . 0 0 "[ . 1 . 2]" 3
171 1 63 ILE QG 1 64 VAL H 1.800 . 5.000 4.314 3.987 4.383 . 0 0 "[ . 1 . 2]" 3
172 1 63 ILE MG 1 64 VAL H 1.800 . 3.400 3.103 1.934 3.384 . 0 0 "[ . 1 . 2]" 3
173 1 64 VAL H 1 64 VAL HB 1.800 . 3.500 2.395 2.335 2.602 . 0 0 "[ . 1 . 2]" 3
174 1 63 ILE HA 1 65 SER H 1.800 . 6.000 4.953 4.550 5.829 . 0 0 "[ . 1 . 2]" 3
175 1 63 ILE MG 1 65 SER H 1.800 . 5.500 3.118 2.198 4.172 . 0 0 "[ . 1 . 2]" 3
176 1 64 VAL MG1 1 65 SER H 1.800 . 5.500 3.660 2.990 3.979 . 0 0 "[ . 1 . 2]" 3
177 1 57 PHE H 1 67 MET ME 1.800 . 6.500 4.948 4.694 5.214 . 0 0 "[ . 1 . 2]" 3
178 1 64 VAL MG1 1 67 MET H 1.800 . 5.500 3.597 3.218 3.976 . 0 0 "[ . 1 . 2]" 3
179 1 67 MET H 1 67 MET QB 1.800 . 2.900 2.125 1.972 2.202 . 0 0 "[ . 1 . 2]" 3
180 1 67 MET HG3 1 68 LYS H 1.800 . 5.000 3.898 2.414 5.073 0.073 12 0 "[ . 1 . 2]" 3
181 1 67 MET HG2 1 68 LYS H 1.800 . 5.000 3.393 2.234 4.912 . 0 0 "[ . 1 . 2]" 3
182 1 69 TYR H 1 69 TYR QD 1.800 . 5.000 4.266 4.162 4.323 . 0 0 "[ . 1 . 2]" 3
183 1 67 MET H 1 87 VAL HB 1.800 . 5.000 4.042 3.280 4.534 . 0 0 "[ . 1 . 2]" 3
184 1 67 MET H 1 87 VAL MG1 1.800 . 5.500 4.894 4.125 5.384 . 0 0 "[ . 1 . 2]" 3
185 1 68 LYS H 1 87 VAL MG1 1.800 . 5.500 5.439 5.072 5.567 0.067 8 0 "[ . 1 . 2]" 3
186 1 67 MET HB3 1 88 GLY H 1.800 . 5.000 2.638 1.990 3.484 . 0 0 "[ . 1 . 2]" 3
187 1 67 MET HB2 1 88 GLY H 1.800 . 5.000 3.575 2.322 4.537 . 0 0 "[ . 1 . 2]" 3
188 1 68 LYS HA 1 88 GLY H 1.800 . 5.000 4.543 4.151 5.024 0.024 4 0 "[ . 1 . 2]" 3
189 1 86 MET QG 1 88 GLY H 1.800 . 5.000 4.034 2.908 5.011 0.011 16 0 "[ . 1 . 2]" 3
190 1 87 VAL HB 1 88 GLY H 1.800 . 3.500 2.164 1.964 2.630 . 0 0 "[ . 1 . 2]" 3
191 1 65 SER H 1 89 SER HA 1.800 . 6.000 4.622 4.246 5.011 . 0 0 "[ . 1 . 2]" 3
192 1 63 ILE HA 1 90 TYR H 1.800 . 5.000 4.583 4.144 5.052 0.052 12 0 "[ . 1 . 2]" 3
193 1 63 ILE MG 1 90 TYR H 1.800 . 5.500 3.640 2.991 4.272 . 0 0 "[ . 1 . 2]" 3
194 1 64 VAL HB 1 90 TYR H 1.800 . 5.000 3.313 2.545 3.802 . 0 0 "[ . 1 . 2]" 3
195 1 59 VAL QG 1 91 GLY H 1.800 . 5.500 3.884 3.190 4.357 . 0 0 "[ . 1 . 2]" 3
196 1 63 ILE HA 1 91 GLY H 1.800 . 5.000 4.632 4.418 4.779 . 0 0 "[ . 1 . 2]" 3
197 1 90 TYR HB3 1 91 GLY H 1.800 . 3.500 3.251 2.161 3.510 0.010 19 0 "[ . 1 . 2]" 3
198 1 90 TYR HB2 1 91 GLY H 1.800 . 5.000 4.138 3.060 4.442 . 0 0 "[ . 1 . 2]" 3
199 1 64 VAL H 1 92 PRO HD3 1.800 . 6.000 4.135 3.767 4.917 . 0 0 "[ . 1 . 2]" 3
200 1 64 VAL H 1 92 PRO HD2 1.800 . 6.000 5.502 4.857 6.007 0.007 11 0 "[ . 1 . 2]" 3
201 1 91 GLY H 1 92 PRO QD 1.800 . 5.000 4.448 4.408 4.473 . 0 0 "[ . 1 . 2]" 3
202 1 59 VAL QG 1 93 ARG H 1.800 . 5.500 3.919 2.966 5.175 . 0 0 "[ . 1 . 2]" 3
203 1 92 PRO QD 1 93 ARG H 1.800 . 5.000 4.583 4.125 5.009 0.009 8 0 "[ . 1 . 2]" 3
204 1 57 PHE H 1 96 GLU HB3 1.800 . 5.000 4.635 3.057 5.042 0.042 4 0 "[ . 1 . 2]" 3
205 1 57 PHE H 1 96 GLU HB2 1.800 . 5.000 3.547 2.495 5.043 0.043 12 0 "[ . 1 . 2]" 3
206 1 58 ARG QG 1 96 GLU H 1.800 . 5.000 3.898 2.566 4.876 . 0 0 "[ . 1 . 2]" 3
207 1 96 GLU HB3 1 97 TYR H 1.800 . 5.000 3.980 2.559 4.602 . 0 0 "[ . 1 . 2]" 3
208 1 96 GLU HB2 1 97 TYR H 1.800 . 5.000 3.189 2.393 4.612 . 0 0 "[ . 1 . 2]" 3
209 1 96 GLU QG 1 97 TYR H 1.800 . 6.000 3.805 2.206 4.348 . 0 0 "[ . 1 . 2]" 3
210 1 51 TYR H 1 103 MET HA 1.800 . 6.000 4.156 3.017 4.633 . 0 0 "[ . 1 . 2]" 3
211 1 51 TYR H 1 104 GLU HA 1.800 . 6.000 4.767 3.965 5.295 . 0 0 "[ . 1 . 2]" 3
212 1 73 THR MG 1 117 ASN H 1.800 . 5.500 5.331 5.077 5.538 0.038 17 0 "[ . 1 . 2]" 3
213 1 117 ASN H 1 117 ASN QD 1.800 . 6.000 4.348 3.292 4.644 . 0 0 "[ . 1 . 2]" 3
214 1 118 ILE MG 1 120 SER H 1.800 . 5.500 3.936 3.587 4.314 . 0 0 "[ . 1 . 2]" 3
215 1 69 TYR QD 1 121 ARG H 1.800 . 5.000 4.309 3.532 4.890 . 0 0 "[ . 1 . 2]" 3
216 1 69 TYR QE 1 121 ARG H 1.800 . 5.000 4.364 2.893 5.011 0.011 12 0 "[ . 1 . 2]" 3
217 1 70 ILE HB 1 121 ARG H 1.800 . 3.500 2.740 1.978 3.522 0.022 8 0 "[ . 1 . 2]" 3
218 1 70 ILE MG 1 121 ARG H 1.800 . 5.500 3.672 3.091 4.286 . 0 0 "[ . 1 . 2]" 3
219 1 68 LYS QB 1 123 THR H 1.800 . 5.000 3.753 2.798 5.013 0.013 6 0 "[ . 1 . 2]" 3
220 1 70 ILE MD 1 123 THR H 1.800 . 5.500 4.738 3.180 5.513 0.013 2 0 "[ . 1 . 2]" 3
221 1 67 MET H 1 124 ASP HB3 1.800 . 6.000 5.559 4.830 6.018 0.018 11 0 "[ . 1 . 2]" 3
222 1 67 MET H 1 124 ASP HB2 1.800 . 6.000 4.971 4.326 5.489 . 0 0 "[ . 1 . 2]" 3
223 1 68 LYS H 1 124 ASP HB3 1.800 . 6.000 4.579 4.068 4.933 . 0 0 "[ . 1 . 2]" 3
224 1 68 LYS H 1 124 ASP HB2 1.800 . 5.000 5.012 4.785 5.068 0.068 8 0 "[ . 1 . 2]" 3
225 1 64 VAL MG1 1 125 ASP H 1.800 . 5.500 3.829 2.844 5.271 . 0 0 "[ . 1 . 2]" 3
226 1 123 THR MG 1 128 THR H 1.800 . 6.500 5.381 4.487 6.418 . 0 0 "[ . 1 . 2]" 3
227 1 127 ARG QB 1 128 THR H 1.800 . 5.000 2.811 1.980 4.045 . 0 0 "[ . 1 . 2]" 3
228 1 127 ARG QG 1 128 THR H 1.800 . 5.000 4.238 3.911 4.673 . 0 0 "[ . 1 . 2]" 3
229 1 122 PHE QB 1 130 HIS H 1.800 . 6.000 4.566 3.486 5.640 . 0 0 "[ . 1 . 2]" 3
230 1 124 ASP H 1 130 HIS HD2 1.800 . 5.000 3.611 2.706 4.506 . 0 0 "[ . 1 . 2]" 3
231 1 13 VAL MG2 1 131 LEU H 1.800 . 5.500 4.330 3.780 5.057 . 0 0 "[ . 1 . 2]" 3
232 1 131 LEU H 1 131 LEU MD1 1.800 . 5.500 4.375 4.046 4.547 . 0 0 "[ . 1 . 2]" 3
233 1 131 LEU H 1 131 LEU MD2 1.800 . 5.500 4.687 4.209 4.838 . 0 0 "[ . 1 . 2]" 3
234 1 35 LEU MD1 1 132 SER H 1.800 . 6.500 4.574 3.987 5.924 . 0 0 "[ . 1 . 2]" 3
235 1 131 LEU MD1 1 132 SER H 1.800 . 3.200 2.848 1.883 3.208 0.008 7 0 "[ . 1 . 2]" 3
236 1 131 LEU MD2 1 132 SER H 1.800 . 5.500 3.657 1.888 4.878 . 0 0 "[ . 1 . 2]" 3
237 1 131 LEU HG 1 132 SER H 1.800 . 3.500 2.344 1.983 3.798 0.298 12 0 "[ . 1 . 2]" 3
238 1 120 SER HB3 1 133 TRP H 1.800 . 6.000 4.731 3.597 5.359 . 0 0 "[ . 1 . 2]" 3
239 1 120 SER HB2 1 133 TRP H 1.800 . 6.000 3.875 2.994 5.440 . 0 0 "[ . 1 . 2]" 3
240 1 131 LEU MD2 1 133 TRP H 1.800 . 5.500 5.334 4.678 5.513 0.013 7 0 "[ . 1 . 2]" 3
241 1 132 SER H 1 133 TRP HE3 1.800 . 5.000 3.608 3.096 4.061 . 0 0 "[ . 1 . 2]" 3
242 1 35 LEU MD2 1 134 GLU H 1.800 . 5.500 4.535 3.305 5.516 0.016 4 0 "[ . 1 . 2]" 3
243 1 133 TRP HD1 1 134 GLU H 1.800 . 5.000 2.400 2.214 2.972 . 0 0 "[ . 1 . 2]" 3
244 1 118 ILE QG 1 135 TRP H 1.800 . 6.000 4.326 3.843 4.667 . 0 0 "[ . 1 . 2]" 3
245 1 118 ILE MG 1 135 TRP H 1.800 . 5.500 4.149 3.557 4.582 . 0 0 "[ . 1 . 2]" 3
246 1 133 TRP HD1 1 135 TRP H 1.800 . 5.000 4.029 3.905 4.274 . 0 0 "[ . 1 . 2]" 3
247 1 134 GLU H 1 135 TRP HD1 1.800 . 5.000 3.802 3.612 3.950 . 0 0 "[ . 1 . 2]" 3
248 1 29 LEU MD1 1 136 ASN H 1.800 . 5.500 5.266 4.908 5.517 0.017 11 0 "[ . 1 . 2]" 3
249 1 118 ILE HG12 1 137 LEU H 1.800 . 6.000 4.530 3.309 5.605 . 0 0 "[ . 1 . 2]" 3
250 1 137 LEU H 1 137 LEU MD1 1.800 . 5.500 4.218 4.030 4.337 . 0 0 "[ . 1 . 2]" 3
251 1 42 SER QB 1 138 THR H 1.800 . 5.000 2.539 2.310 2.870 . 0 0 "[ . 1 . 2]" 3
252 1 43 PHE QB 1 138 THR H 1.800 . 5.000 3.764 3.321 4.186 . 0 0 "[ . 1 . 2]" 3
253 1 44 VAL MG1 1 138 THR H 1.800 . 6.500 5.248 5.010 5.349 . 0 0 "[ . 1 . 2]" 3
254 1 44 VAL MG2 1 138 THR H 1.800 . 5.500 4.232 3.759 4.651 . 0 0 "[ . 1 . 2]" 3
255 1 45 LEU H 1 138 THR MG 1.800 . 5.500 3.873 3.493 4.098 . 0 0 "[ . 1 . 2]" 3
256 1 137 LEU MD1 1 138 THR H 1.800 . 4.000 3.469 2.890 3.984 . 0 0 "[ . 1 . 2]" 3
257 1 47 GLU H 1 139 ILE MG 1.800 . 5.500 3.314 2.954 3.650 . 0 0 "[ . 1 . 2]" 3
258 1 49 VAL H 1 139 ILE MD 1.800 . 6.500 4.686 4.075 5.154 . 0 0 "[ . 1 . 2]" 3
259 1 114 GLY QA 1 139 ILE H 1.800 . 5.000 3.671 3.490 3.992 . 0 0 "[ . 1 . 2]" 3
260 1 138 THR MG 1 139 ILE H 1.800 . 4.000 2.786 2.113 3.384 . 0 0 "[ . 1 . 2]" 3
261 1 139 ILE H 1 139 ILE MD 1.800 . 5.500 3.514 3.296 3.717 . 0 0 "[ . 1 . 2]" 3
262 1 139 ILE H 1 139 ILE QG 1.800 . 3.500 2.429 2.102 2.759 . 0 0 "[ . 1 . 2]" 3
263 1 139 ILE H 1 139 ILE MG 1.800 . 4.000 3.766 3.714 3.847 . 0 0 "[ . 1 . 2]" 3
264 1 44 VAL MG1 1 140 LYS H 1.800 . 5.500 4.235 3.435 4.674 . 0 0 "[ . 1 . 2]" 3
265 1 47 GLU HA 1 140 LYS H 1.800 . 6.000 4.329 3.910 4.796 . 0 0 "[ . 1 . 2]" 3
266 1 138 THR MG 1 140 LYS H 1.800 . 5.500 4.817 4.505 4.991 . 0 0 "[ . 1 . 2]" 3
267 1 139 ILE QG 1 140 LYS H 1.800 . 6.000 4.579 4.465 4.697 . 0 0 "[ . 1 . 2]" 3
268 1 139 ILE MG 1 140 LYS H 1.800 . 4.000 2.242 1.967 2.606 . 0 0 "[ . 1 . 2]" 3
269 1 113 ARG QD 1 141 LYS H 1.800 . 6.000 4.835 3.640 5.276 . 0 0 "[ . 1 . 2]" 3
270 1 141 LYS H 1 141 LYS QB 1.800 . 2.900 2.502 2.016 2.949 0.049 8 0 "[ . 1 . 2]" 3
271 1 140 LYS QB 1 142 GLU H 1.800 . 3.500 2.724 2.408 3.332 . 0 0 "[ . 1 . 2]" 3
272 1 140 LYS QG 1 142 GLU H 1.800 . 5.000 3.552 2.881 4.709 . 0 0 "[ . 1 . 2]" 3
273 1 141 LYS QB 1 142 GLU H 1.800 . 5.000 3.056 2.034 3.886 . 0 0 "[ . 1 . 2]" 3
274 1 46 LYS HB3 1 143 TRP H 1.800 . 6.000 4.188 3.468 5.170 . 0 0 "[ . 1 . 2]" 3
275 1 46 LYS HB2 1 143 TRP H 1.800 . 6.000 2.874 1.967 5.974 . 0 0 "[ . 1 . 2]" 3
276 1 46 LYS QD 1 143 TRP H 1.800 . 5.000 2.807 1.917 3.769 . 0 0 "[ . 1 . 2]" 3
277 1 46 LYS QE 1 143 TRP H 1.800 . 5.000 4.252 1.982 4.957 . 0 0 "[ . 1 . 2]" 3
278 1 142 GLU H 1 143 TRP HD1 1.800 . 6.000 5.005 4.092 6.002 0.002 1 0 "[ . 1 . 2]" 3
279 1 142 GLU QG 1 143 TRP H 1.800 . 5.000 4.056 3.247 4.487 . 0 0 "[ . 1 . 2]" 3
280 1 143 TRP HA 1 144 LYS H 1.800 . 6.000 3.356 2.940 3.494 . 0 0 "[ . 1 . 2]" 3
281 1 143 TRP HD1 1 144 LYS H 1.800 . 5.000 2.134 1.967 3.241 . 0 0 "[ . 1 . 2]" 3
282 1 6 PRO QB 1 7 ASN QD 1.800 . 6.000 5.335 3.687 6.001 0.001 15 0 "[ . 1 . 2]" 3
283 1 47 GLU QG 1 48 GLY H 1.800 . 6.000 4.094 3.724 4.318 . 0 0 "[ . 1 . 2]" 3
284 1 48 GLY H 1 49 VAL MG2 1.800 . 6.500 4.463 3.522 5.036 . 0 0 "[ . 1 . 2]" 3
285 1 12 VAL HA 1 58 ARG H 1.800 . 6.000 5.461 5.196 5.834 . 0 0 "[ . 1 . 2]" 3
286 1 57 PHE QD 1 59 VAL H 1.800 . 6.000 4.561 3.744 4.966 . 0 0 "[ . 1 . 2]" 3
287 1 61 ARG H 1 62 GLU QB 1.800 . 5.000 4.831 4.639 5.033 0.033 1 0 "[ . 1 . 2]" 3
288 1 66 GLY H 1 67 MET QB 1.800 . 5.000 3.568 3.347 3.865 . 0 0 "[ . 1 . 2]" 3
289 1 66 GLY H 1 67 MET QG 1.800 . 6.000 5.066 3.574 5.676 . 0 0 "[ . 1 . 2]" 3
290 1 74 TYR QD 1 80 ILE H 1.800 . 6.000 4.782 3.803 5.184 . 0 0 "[ . 1 . 2]" 3
291 1 74 TYR QE 1 80 ILE H 1.800 . 6.000 5.593 4.953 6.009 0.009 3 0 "[ . 1 . 2]" 3
292 1 64 VAL H 1 89 SER HA 1.800 . 6.000 5.088 4.328 5.381 . 0 0 "[ . 1 . 2]" 3
293 1 87 VAL MG1 1 89 SER H 1.800 . 6.500 5.489 4.898 6.003 . 0 0 "[ . 1 . 2]" 3
294 1 60 ASN HA 1 93 ARG H 1.800 . 5.000 3.941 2.029 5.018 0.018 6 0 "[ . 1 . 2]" 3
295 1 57 PHE H 1 97 TYR QD 1.800 . 6.000 4.994 4.076 5.910 . 0 0 "[ . 1 . 2]" 3
296 1 57 PHE QD 1 97 TYR H 1.800 . 5.000 3.758 3.054 4.188 . 0 0 "[ . 1 . 2]" 3
297 1 57 PHE QE 1 97 TYR H 1.800 . 6.000 4.061 3.559 4.535 . 0 0 "[ . 1 . 2]" 3
298 1 58 ARG HA 1 97 TYR H 1.800 . 5.000 3.534 2.965 4.076 . 0 0 "[ . 1 . 2]" 3
299 1 59 VAL H 1 97 TYR QD 1.800 . 5.000 3.698 3.095 4.998 . 0 0 "[ . 1 . 2]" 3
300 1 97 TYR H 1 97 TYR QE 1.800 . 5.000 4.722 4.167 5.011 0.011 15 0 "[ . 1 . 2]" 3
301 1 57 PHE QD 1 98 GLU H 1.800 . 6.000 5.530 4.882 6.026 0.026 15 0 "[ . 1 . 2]" 3
302 1 57 PHE QE 1 98 GLU H 1.800 . 5.000 4.250 3.397 5.002 0.002 18 0 "[ . 1 . 2]" 3
303 1 50 GLU H 1 105 GLU HA 1.800 . 5.000 4.329 3.640 5.031 0.031 3 0 "[ . 1 . 2]" 3
304 1 49 VAL H 1 106 ALA HA 1.800 . 6.000 5.193 4.385 5.988 . 0 0 "[ . 1 . 2]" 3
305 1 48 GLY H 1 108 LYS HA 1.800 . 6.000 3.481 2.391 4.842 . 0 0 "[ . 1 . 2]" 3
306 1 116 TYR QD 1 117 ASN H 1.800 . 5.000 4.582 4.280 4.722 . 0 0 "[ . 1 . 2]" 3
307 1 74 TYR QD 1 119 LYS H 1.800 . 5.000 3.104 2.529 3.574 . 0 0 "[ . 1 . 2]" 3
308 1 74 TYR QE 1 119 LYS H 1.800 . 5.000 4.542 3.989 5.013 0.013 14 0 "[ . 1 . 2]" 3
309 1 120 SER HA 1 122 PHE H 1.800 . 6.000 5.525 5.082 5.939 . 0 0 "[ . 1 . 2]" 3
310 1 70 ILE QG 1 123 THR H 1.800 . 6.000 4.766 3.788 5.583 . 0 0 "[ . 1 . 2]" 3
311 1 122 PHE QD 1 123 THR H 1.800 . 5.000 3.467 2.254 4.322 . 0 0 "[ . 1 . 2]" 3
312 1 130 HIS HD2 1 131 LEU H 1.800 . 6.000 4.983 4.057 5.506 . 0 0 "[ . 1 . 2]" 3
313 1 122 PHE H 1 133 TRP HE3 1.800 . 6.000 4.077 3.837 4.444 . 0 0 "[ . 1 . 2]" 3
314 1 122 PHE H 1 133 TRP HZ3 1.800 . 5.000 2.651 2.064 3.338 . 0 0 "[ . 1 . 2]" 3
315 1 132 SER H 1 133 TRP HZ3 1.800 . 6.000 4.976 4.443 5.498 . 0 0 "[ . 1 . 2]" 3
316 1 133 TRP H 1 133 TRP HD1 1.800 . 6.000 4.651 4.509 4.753 . 0 0 "[ . 1 . 2]" 3
317 1 133 TRP H 1 133 TRP HZ3 1.800 . 5.000 4.012 3.946 4.403 . 0 0 "[ . 1 . 2]" 3
318 1 35 LEU QB 1 134 GLU H 1.800 . 6.000 4.905 4.144 6.023 0.023 10 0 "[ . 1 . 2]" 3
319 1 35 LEU MD1 1 134 GLU H 1.800 . 5.500 4.748 3.260 5.370 . 0 0 "[ . 1 . 2]" 3
320 1 133 TRP HE1 1 135 TRP H 1.800 . 6.000 4.559 4.396 4.783 . 0 0 "[ . 1 . 2]" 3
321 1 135 TRP HE3 1 136 ASN H 1.800 . 6.000 4.117 3.695 4.397 . 0 0 "[ . 1 . 2]" 3
322 1 116 TYR QD 1 137 LEU H 1.800 . 5.000 4.323 4.089 4.579 . 0 0 "[ . 1 . 2]" 3
323 1 137 LEU H 1 137 LEU MD2 1.800 . 5.500 4.307 2.940 4.550 . 0 0 "[ . 1 . 2]" 3
324 1 49 VAL H 1 139 ILE MG 1.800 . 5.500 5.065 4.514 5.504 0.004 6 0 "[ . 1 . 2]" 3
325 1 116 TYR QD 1 139 ILE H 1.800 . 5.000 3.660 3.239 4.072 . 0 0 "[ . 1 . 2]" 3
326 1 10 ASN HD21 1 11 VAL QG 1.800 . 3.800 2.823 1.823 3.567 . 0 0 "[ . 1 . 2]" 3
327 1 10 ASN HD22 1 11 VAL QG 1.800 . 5.500 2.662 1.979 3.167 . 0 0 "[ . 1 . 2]" 3
328 1 10 ASN HD21 1 11 VAL H 1.800 . 5.000 4.041 3.437 4.704 . 0 0 "[ . 1 . 2]" 3
329 1 16 LEU H 1 30 ASP H 1.800 . 6.000 5.041 4.602 5.393 . 0 0 "[ . 1 . 2]" 3
330 1 30 ASP H 1 31 LEU H 1.800 . 5.000 4.557 4.393 4.667 . 0 0 "[ . 1 . 2]" 3
331 1 35 LEU H 1 36 GLU H 1.800 . 2.900 2.304 2.222 2.591 . 0 0 "[ . 1 . 2]" 3
332 1 28 GLU H 1 43 PHE QE 1.800 . 5.000 4.611 3.902 5.025 0.025 16 0 "[ . 1 . 2]" 3
333 1 28 GLU H 1 43 PHE HZ 1.800 . 5.000 4.543 3.565 5.015 0.015 19 0 "[ . 1 . 2]" 3
334 1 29 LEU H 1 43 PHE HZ 1.800 . 5.000 4.169 3.206 4.928 . 0 0 "[ . 1 . 2]" 3
335 1 30 ASP H 1 43 PHE HZ 1.800 . 6.000 5.438 4.488 6.061 0.061 12 0 "[ . 1 . 2]" 3
336 1 19 VAL H 1 51 TYR QD 1.800 . 6.000 4.962 3.979 5.861 . 0 0 "[ . 1 . 2]" 3
337 1 51 TYR QD 1 52 ARG H 1.800 . 5.000 3.644 2.949 4.110 . 0 0 "[ . 1 . 2]" 3
338 1 19 VAL H 1 54 LYS H 1.800 . 5.000 4.417 3.912 4.769 . 0 0 "[ . 1 . 2]" 3
339 1 16 LEU H 1 56 SER H 1.800 . 6.000 5.120 4.701 5.326 . 0 0 "[ . 1 . 2]" 3
340 1 14 THR H 1 57 PHE QD 1.800 . 6.000 4.512 4.235 4.981 . 0 0 "[ . 1 . 2]" 3
341 1 14 THR H 1 57 PHE H 1.800 . 5.000 4.181 3.766 4.614 . 0 0 "[ . 1 . 2]" 3
342 1 56 SER H 1 57 PHE QD 1.800 . 6.000 3.883 3.518 4.393 . 0 0 "[ . 1 . 2]" 3
343 1 57 PHE H 1 57 PHE QE 1.800 . 5.000 4.107 3.786 4.295 . 0 0 "[ . 1 . 2]" 3
344 1 14 THR H 1 58 ARG H 1.800 . 5.000 3.723 3.222 4.066 . 0 0 "[ . 1 . 2]" 3
345 1 10 ASN HD21 1 59 VAL QG 1.800 . 5.500 4.205 2.735 5.258 . 0 0 "[ . 1 . 2]" 3
346 1 10 ASN HD22 1 59 VAL QG 1.800 . 5.500 3.782 2.796 4.482 . 0 0 "[ . 1 . 2]" 3
347 1 60 ASN H 1 60 ASN QD 1.800 . 5.000 3.978 2.076 4.982 . 0 0 "[ . 1 . 2]" 3
348 1 10 ASN HD22 1 61 ARG H 1.800 . 5.000 4.502 3.721 5.057 0.057 1 0 "[ . 1 . 2]" 3
349 1 60 ASN QD 1 61 ARG H 1.800 . 6.000 5.379 4.598 6.004 0.004 15 0 "[ . 1 . 2]" 3
350 1 10 ASN HD21 1 62 GLU QG 1.800 . 6.000 4.636 2.316 5.923 . 0 0 "[ . 1 . 2]" 3
351 1 10 ASN HD22 1 62 GLU QG 1.800 . 6.000 4.075 1.879 5.543 . 0 0 "[ . 1 . 2]" 3
352 1 10 ASN HD21 1 62 GLU H 1.800 . 5.000 3.236 1.994 4.255 . 0 0 "[ . 1 . 2]" 3
353 1 10 ASN HD22 1 62 GLU H 1.800 . 3.500 2.654 2.048 3.271 . 0 0 "[ . 1 . 2]" 3
354 1 61 ARG H 1 62 GLU H 1.800 . 2.900 2.563 2.431 2.795 . 0 0 "[ . 1 . 2]" 3
355 1 10 ASN HD21 1 64 VAL MG2 1.800 . 3.200 3.147 2.861 3.271 0.071 9 0 "[ . 1 . 2]" 3
356 1 10 ASN HD22 1 64 VAL MG2 1.800 . 3.200 2.341 1.866 3.186 . 0 0 "[ . 1 . 2]" 3
357 1 69 TYR QE 1 70 ILE H 1.800 . 6.000 4.771 3.679 5.560 . 0 0 "[ . 1 . 2]" 3
358 1 71 GLN H 1 72 HIS HD2 1.800 . 5.000 3.537 2.851 4.150 . 0 0 "[ . 1 . 2]" 3
359 1 72 HIS H 1 74 TYR QD 1.800 . 6.000 4.443 3.973 5.012 . 0 0 "[ . 1 . 2]" 3
360 1 73 THR H 1 74 TYR QD 1.800 . 6.000 4.278 3.627 5.300 . 0 0 "[ . 1 . 2]" 3
361 1 74 TYR QD 1 77 GLY H 1.800 . 6.000 4.324 3.332 5.669 . 0 0 "[ . 1 . 2]" 3
362 1 73 THR H 1 80 ILE H 1.800 . 5.000 4.405 3.867 4.782 . 0 0 "[ . 1 . 2]" 3
363 1 74 TYR H 1 81 ASP H 1.800 . 6.000 5.429 5.136 5.839 . 0 0 "[ . 1 . 2]" 3
364 1 80 ILE H 1 81 ASP H 1.800 . 2.900 2.192 1.969 2.797 . 0 0 "[ . 1 . 2]" 3
365 1 73 THR H 1 82 LYS H 1.800 . 6.000 4.518 4.350 4.649 . 0 0 "[ . 1 . 2]" 3
366 1 69 TYR QD 1 85 TYR H 1.800 . 5.000 4.395 3.326 5.004 0.004 12 0 "[ . 1 . 2]" 3
367 1 71 GLN H 1 85 TYR QD 1.800 . 6.000 5.006 4.230 6.011 0.011 5 0 "[ . 1 . 2]" 3
368 1 85 TYR QD 1 86 MET H 1.800 . 5.000 3.691 2.894 4.638 . 0 0 "[ . 1 . 2]" 3
369 1 69 TYR H 1 87 VAL H 1.800 . 5.000 3.889 3.352 4.730 . 0 0 "[ . 1 . 2]" 3
370 1 66 GLY H 1 88 GLY H 1.800 . 6.000 4.648 4.291 5.249 . 0 0 "[ . 1 . 2]" 3
371 1 64 VAL H 1 90 TYR H 1.800 . 3.500 3.307 2.451 3.523 0.023 8 0 "[ . 1 . 2]" 3
372 1 58 ARG H 1 97 TYR H 1.800 . 6.000 5.015 4.443 5.679 . 0 0 "[ . 1 . 2]" 3
373 1 97 TYR H 1 97 TYR QD 1.800 . 5.000 2.627 2.140 3.342 . 0 0 "[ . 1 . 2]" 3
374 1 57 PHE H 1 98 GLU H 1.800 . 6.000 5.183 4.766 5.496 . 0 0 "[ . 1 . 2]" 3
375 1 97 TYR QD 1 98 GLU H 1.800 . 5.000 3.467 2.665 3.923 . 0 0 "[ . 1 . 2]" 3
376 1 55 ILE H 1 99 PHE QD 1.800 . 5.000 3.507 2.779 4.073 . 0 0 "[ . 1 . 2]" 3
377 1 57 PHE QD 1 99 PHE H 1.800 . 5.000 4.012 3.285 4.794 . 0 0 "[ . 1 . 2]" 3
378 1 57 PHE QE 1 99 PHE H 1.800 . 5.000 2.901 2.138 3.754 . 0 0 "[ . 1 . 2]" 3
379 1 86 MET H 1 99 PHE HZ 1.800 . 6.000 4.412 3.401 5.679 . 0 0 "[ . 1 . 2]" 3
380 1 99 PHE H 1 99 PHE QD 1.800 . 5.000 4.162 4.132 4.222 . 0 0 "[ . 1 . 2]" 3
381 1 51 TYR QD 1 104 GLU H 1.800 . 6.000 4.104 3.714 4.799 . 0 0 "[ . 1 . 2]" 3
382 1 52 ARG H 1 104 GLU H 1.800 . 6.000 4.631 4.104 5.121 . 0 0 "[ . 1 . 2]" 3
383 1 117 ASN HD21 1 118 ILE H 1.800 . 5.000 4.148 2.266 5.018 0.018 9 0 "[ . 1 . 2]" 3
384 1 117 ASN HD22 1 118 ILE H 1.800 . 5.000 4.609 3.612 5.009 0.009 12 0 "[ . 1 . 2]" 3
385 1 70 ILE H 1 123 THR H 1.800 . 5.000 4.364 3.945 4.958 . 0 0 "[ . 1 . 2]" 3
386 1 68 LYS H 1 124 ASP H 1.800 . 6.000 4.602 4.244 4.907 . 0 0 "[ . 1 . 2]" 3
387 1 124 ASP H 1 127 ARG H 1.800 . 5.000 4.582 4.132 5.075 0.075 1 0 "[ . 1 . 2]" 3
388 1 126 ASP H 1 127 ARG H 1.800 . 2.900 2.150 1.742 2.941 0.058 19 0 "[ . 1 . 2]" 3
389 1 124 ASP H 1 128 THR H 1.800 . 5.000 3.910 3.392 4.845 . 0 0 "[ . 1 . 2]" 3
390 1 122 PHE H 1 130 HIS H 1.800 . 6.000 5.609 4.768 6.020 0.020 5 0 "[ . 1 . 2]" 3
391 1 123 THR H 1 130 HIS HD2 1.800 . 5.000 4.383 3.274 5.025 0.025 17 0 "[ . 1 . 2]" 3
392 1 122 PHE H 1 131 LEU H 1.800 . 5.000 3.794 3.218 4.647 . 0 0 "[ . 1 . 2]" 3
393 1 122 PHE H 1 133 TRP HH2 1.800 . 5.000 4.350 3.637 5.007 0.007 16 0 "[ . 1 . 2]" 3
394 1 120 SER H 1 134 GLU H 1.800 . 6.000 5.025 4.703 5.394 . 0 0 "[ . 1 . 2]" 3
395 1 118 ILE H 1 135 TRP HD1 1.800 . 6.000 4.957 4.645 5.489 . 0 0 "[ . 1 . 2]" 3
396 1 120 SER H 1 135 TRP H 1.800 . 5.000 4.650 4.411 5.005 0.005 12 0 "[ . 1 . 2]" 3
397 1 118 ILE H 1 137 LEU H 1.800 . 5.000 4.778 4.325 4.992 . 0 0 "[ . 1 . 2]" 3
398 1 136 ASN QD 1 137 LEU H 1.800 . 5.000 4.447 3.541 5.025 0.025 9 0 "[ . 1 . 2]" 3
399 1 44 VAL H 1 138 THR H 1.800 . 6.000 4.635 4.324 5.020 . 0 0 "[ . 1 . 2]" 3
400 1 116 TYR QD 1 138 THR H 1.800 . 6.000 5.513 5.243 5.788 . 0 0 "[ . 1 . 2]" 3
401 1 45 LEU H 1 139 ILE H 1.800 . 6.000 4.561 4.177 5.113 . 0 0 "[ . 1 . 2]" 3
402 1 47 GLU H 1 142 GLU H 1.800 . 6.000 5.213 4.652 6.074 0.074 1 0 "[ . 1 . 2]" 3
403 1 140 LYS H 1 142 GLU H 1.800 . 6.000 5.289 4.919 5.854 . 0 0 "[ . 1 . 2]" 3
404 1 45 LEU H 1 143 TRP HZ3 1.800 . 6.000 5.860 5.097 6.045 0.045 8 0 "[ . 1 . 2]" 3
405 1 142 GLU H 1 143 TRP H 1.800 . 5.000 3.198 2.391 3.984 . 0 0 "[ . 1 . 2]" 3
406 1 142 GLU H 1 144 LYS H 1.800 . 5.000 4.951 4.715 5.066 0.066 4 0 "[ . 1 . 2]" 3
407 1 143 TRP H 1 144 LYS H 1.800 . 3.500 2.774 2.679 3.111 . 0 0 "[ . 1 . 2]" 3
stop_
save_
save_distance_constraint_statistics_4
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 4
_Distance_constraint_stats_list.Constraint_count 153
_Distance_constraint_stats_list.Viol_count 280
_Distance_constraint_stats_list.Viol_total 159.830
_Distance_constraint_stats_list.Viol_max 0.156
_Distance_constraint_stats_list.Viol_rms 0.0111
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0026
_Distance_constraint_stats_list.Viol_average_violations_only 0.0285
_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 7 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 VAL 0.464 0.079 1 0 "[ . 1 . 2]"
1 13 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 THR 0.013 0.013 3 0 "[ . 1 . 2]"
1 15 ARG 0.149 0.035 11 0 "[ . 1 . 2]"
1 16 LEU 0.163 0.041 17 0 "[ . 1 . 2]"
1 17 THR 0.094 0.038 18 0 "[ . 1 . 2]"
1 18 LEU 0.085 0.031 13 0 "[ . 1 . 2]"
1 19 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 THR 0.020 0.020 3 0 "[ . 1 . 2]"
1 23 ALA 0.134 0.038 3 0 "[ . 1 . 2]"
1 25 GLY 1.381 0.106 1 0 "[ . 1 . 2]"
1 27 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 LEU 0.085 0.031 13 0 "[ . 1 . 2]"
1 30 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 LEU 0.926 0.075 18 0 "[ . 1 . 2]"
1 32 THR 0.783 0.075 18 0 "[ . 1 . 2]"
1 33 GLY 0.021 0.017 6 0 "[ . 1 . 2]"
1 34 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 LEU 0.010 0.010 14 0 "[ . 1 . 2]"
1 36 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 PHE 0.010 0.010 14 0 "[ . 1 . 2]"
1 39 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 LEU 0.076 0.033 7 0 "[ . 1 . 2]"
1 47 GLU 0.900 0.088 11 0 "[ . 1 . 2]"
1 48 GLY 0.147 0.044 6 0 "[ . 1 . 2]"
1 49 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 TYR 0.072 0.032 3 0 "[ . 1 . 2]"
1 52 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 ILE 0.017 0.017 10 0 "[ . 1 . 2]"
1 54 LYS 0.009 0.009 7 0 "[ . 1 . 2]"
1 55 ILE 0.132 0.024 3 0 "[ . 1 . 2]"
1 56 SER 0.102 0.038 18 0 "[ . 1 . 2]"
1 57 PHE 0.438 0.058 5 0 "[ . 1 . 2]"
1 58 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 ASN 1.328 0.079 1 0 "[ . 1 . 2]"
1 61 ARG 0.780 0.070 5 0 "[ . 1 . 2]"
1 62 GLU 0.083 0.063 8 0 "[ . 1 . 2]"
1 65 SER 0.079 0.031 12 0 "[ . 1 . 2]"
1 66 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 MET 0.103 0.031 12 0 "[ . 1 . 2]"
1 68 LYS 0.000 0.000 7 0 "[ . 1 . 2]"
1 69 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 THR 0.496 0.066 15 0 "[ . 1 . 2]"
1 74 TYR 0.118 0.026 15 0 "[ . 1 . 2]"
1 75 ARG 0.453 0.084 2 0 "[ . 1 . 2]"
1 76 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 VAL 0.019 0.011 19 0 "[ . 1 . 2]"
1 79 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 ASP 0.500 0.084 2 0 "[ . 1 . 2]"
1 82 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 THR 0.430 0.059 19 0 "[ . 1 . 2]"
1 84 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 VAL 0.017 0.009 14 0 "[ . 1 . 2]"
1 88 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 SER 0.007 0.007 1 0 "[ . 1 . 2]"
1 90 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 ARG 0.003 0.003 17 0 "[ . 1 . 2]"
1 95 GLU 0.003 0.003 17 0 "[ . 1 . 2]"
1 96 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 97 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 98 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 99 PHE 0.450 0.058 5 0 "[ . 1 . 2]"
1 100 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 101 THR 0.017 0.017 10 0 "[ . 1 . 2]"
1 103 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 104 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 105 GLU 0.072 0.032 3 0 "[ . 1 . 2]"
1 106 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 108 LYS 0.147 0.044 6 0 "[ . 1 . 2]"
1 109 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 111 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 112 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 113 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 114 GLY 0.026 0.017 10 0 "[ . 1 . 2]"
1 115 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 116 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 117 ASN 0.118 0.026 15 0 "[ . 1 . 2]"
1 118 ILE 0.274 0.058 4 0 "[ . 1 . 2]"
1 119 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 120 SER 0.170 0.052 8 0 "[ . 1 . 2]"
1 122 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 123 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 124 ASP 0.029 0.013 9 0 "[ . 1 . 2]"
1 125 ASP 0.046 0.038 7 0 "[ . 1 . 2]"
1 126 ASP 0.075 0.038 7 0 "[ . 1 . 2]"
1 127 ARG 0.437 0.156 16 0 "[ . 1 . 2]"
1 128 THR 0.437 0.156 16 0 "[ . 1 . 2]"
1 130 HIS 0.059 0.021 8 0 "[ . 1 . 2]"
1 131 LEU 0.059 0.021 8 0 "[ . 1 . 2]"
1 132 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 133 TRP 0.182 0.052 8 0 "[ . 1 . 2]"
1 134 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 135 TRP 0.286 0.058 4 0 "[ . 1 . 2]"
1 136 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 137 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 138 THR 0.076 0.033 7 0 "[ . 1 . 2]"
1 139 ILE 0.026 0.017 10 0 "[ . 1 . 2]"
1 140 LYS 0.900 0.088 11 0 "[ . 1 . 2]"
1 141 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 142 GLU 0.089 0.026 11 0 "[ . 1 . 2]"
1 143 TRP 1.267 0.106 1 0 "[ . 1 . 2]"
1 145 ASP 0.089 0.026 11 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 7 ASN H 1 8 VAL H 1.800 . 5.000 4.126 2.145 4.698 . 0 0 "[ . 1 . 2]" 4
2 1 10 ASN H 1 11 VAL H 1.800 . 3.500 2.648 2.146 3.166 . 0 0 "[ . 1 . 2]" 4
3 1 11 VAL H 1 12 VAL H 1.800 . 5.000 3.998 2.265 4.521 . 0 0 "[ . 1 . 2]" 4
4 1 12 VAL H 1 13 VAL H 1.800 . 5.000 4.403 4.249 4.678 . 0 0 "[ . 1 . 2]" 4
5 1 13 VAL H 1 14 THR H 1.800 . 6.000 4.399 4.269 4.631 . 0 0 "[ . 1 . 2]" 4
6 1 14 THR H 1 15 ARG H 1.800 . 2.900 2.709 2.311 2.913 0.013 3 0 "[ . 1 . 2]" 4
7 1 15 ARG H 1 16 LEU H 1.800 . 5.000 4.426 4.362 4.487 . 0 0 "[ . 1 . 2]" 4
8 1 16 LEU H 1 17 THR H 1.800 . 6.000 4.332 4.037 4.528 . 0 0 "[ . 1 . 2]" 4
9 1 22 THR H 1 23 ALA H 1.800 . 3.500 2.688 1.967 3.520 0.020 3 0 "[ . 1 . 2]" 4
10 1 23 ALA H 1 25 GLY H 1.800 . 5.000 4.929 4.652 5.038 0.038 3 0 "[ . 1 . 2]" 4
11 1 18 LEU H 1 27 LEU H 1.800 . 5.000 2.947 2.639 3.307 . 0 0 "[ . 1 . 2]" 4
12 1 18 LEU H 1 28 GLU H 1.800 . 6.000 5.134 4.708 5.534 . 0 0 "[ . 1 . 2]" 4
13 1 27 LEU H 1 28 GLU H 1.800 . 5.000 4.474 4.338 4.616 . 0 0 "[ . 1 . 2]" 4
14 1 16 LEU H 1 29 LEU H 1.800 . 3.500 2.466 2.065 2.889 . 0 0 "[ . 1 . 2]" 4
15 1 18 LEU H 1 29 LEU H 1.800 . 6.000 5.808 5.433 6.031 0.031 13 0 "[ . 1 . 2]" 4
16 1 28 GLU H 1 29 LEU H 1.800 . 5.000 4.456 4.218 4.638 . 0 0 "[ . 1 . 2]" 4
17 1 29 LEU H 1 30 ASP H 1.800 . 6.000 4.449 4.196 4.595 . 0 0 "[ . 1 . 2]" 4
18 1 16 LEU H 1 31 LEU H 1.800 . 5.000 4.948 4.705 5.041 0.041 17 0 "[ . 1 . 2]" 4
19 1 31 LEU H 1 32 THR H 1.800 . 2.900 2.938 2.916 2.975 0.075 18 0 "[ . 1 . 2]" 4
20 1 32 THR H 1 33 GLY H 1.800 . 2.900 2.460 1.982 2.917 0.017 6 0 "[ . 1 . 2]" 4
21 1 33 GLY H 1 34 ASP H 1.800 . 5.000 2.723 1.996 3.656 . 0 0 "[ . 1 . 2]" 4
22 1 35 LEU H 1 37 SER H 1.800 . 6.000 4.138 3.786 4.725 . 0 0 "[ . 1 . 2]" 4
23 1 36 GLU H 1 37 SER H 1.800 . 3.500 2.749 2.598 2.840 . 0 0 "[ . 1 . 2]" 4
24 1 35 LEU H 1 38 PHE H 1.800 . 6.000 5.787 5.420 6.010 0.010 14 0 "[ . 1 . 2]" 4
25 1 36 GLU H 1 38 PHE H 1.800 . 5.000 4.457 4.182 4.663 . 0 0 "[ . 1 . 2]" 4
26 1 37 SER H 1 38 PHE H 1.800 . 3.500 2.739 2.528 2.850 . 0 0 "[ . 1 . 2]" 4
27 1 38 PHE H 1 39 LYS H 1.800 . 3.500 2.712 2.242 3.052 . 0 0 "[ . 1 . 2]" 4
28 1 38 PHE H 1 40 LYS H 1.800 . 5.000 4.032 3.792 4.387 . 0 0 "[ . 1 . 2]" 4
29 1 39 LYS H 1 40 LYS H 1.800 . 3.500 2.694 2.438 2.804 . 0 0 "[ . 1 . 2]" 4
30 1 42 SER H 1 43 PHE H 1.800 . 5.000 4.410 4.148 4.556 . 0 0 "[ . 1 . 2]" 4
31 1 43 PHE H 1 44 VAL H 1.800 . 5.000 4.395 4.008 4.672 . 0 0 "[ . 1 . 2]" 4
32 1 47 GLU H 1 48 GLY H 1.800 . 6.000 4.087 3.365 4.594 . 0 0 "[ . 1 . 2]" 4
33 1 49 VAL H 1 50 GLU H 1.800 . 5.000 4.568 4.406 4.696 . 0 0 "[ . 1 . 2]" 4
34 1 49 VAL H 1 51 TYR QE 1.800 . 6.000 4.726 4.089 5.111 . 0 0 "[ . 1 . 2]" 4
35 1 50 GLU H 1 51 TYR H 1.800 . 6.000 4.197 3.893 4.581 . 0 0 "[ . 1 . 2]" 4
36 1 19 VAL H 1 52 ARG H 1.800 . 5.000 3.928 3.194 4.444 . 0 0 "[ . 1 . 2]" 4
37 1 51 TYR QE 1 52 ARG H 1.800 . 6.000 5.762 5.255 5.994 . 0 0 "[ . 1 . 2]" 4
38 1 51 TYR H 1 52 ARG H 1.800 . 6.000 4.509 4.268 4.573 . 0 0 "[ . 1 . 2]" 4
39 1 17 THR H 1 54 LYS H 1.800 . 3.500 3.149 2.846 3.509 0.009 7 0 "[ . 1 . 2]" 4
40 1 54 LYS H 1 55 ILE H 1.800 . 6.000 4.023 3.391 4.346 . 0 0 "[ . 1 . 2]" 4
41 1 15 ARG H 1 56 SER H 1.800 . 3.500 3.244 2.880 3.516 0.016 10 0 "[ . 1 . 2]" 4
42 1 17 THR H 1 56 SER H 1.800 . 5.000 4.803 4.400 5.038 0.038 18 0 "[ . 1 . 2]" 4
43 1 55 ILE H 1 56 SER H 1.800 . 6.000 4.599 4.501 4.666 . 0 0 "[ . 1 . 2]" 4
44 1 15 ARG H 1 57 PHE H 1.800 . 5.000 4.949 4.772 5.035 0.035 11 0 "[ . 1 . 2]" 4
45 1 56 SER H 1 57 PHE H 1.800 . 5.000 4.441 4.238 4.568 . 0 0 "[ . 1 . 2]" 4
46 1 12 VAL H 1 58 ARG H 1.800 . 5.000 3.260 2.781 4.713 . 0 0 "[ . 1 . 2]" 4
47 1 13 VAL H 1 58 ARG H 1.800 . 6.000 5.761 5.430 5.911 . 0 0 "[ . 1 . 2]" 4
48 1 58 ARG H 1 59 VAL H 1.800 . 6.000 4.552 4.433 4.640 . 0 0 "[ . 1 . 2]" 4
49 1 12 VAL H 1 60 ASN H 1.800 . 6.000 5.982 5.788 6.079 0.079 1 0 "[ . 1 . 2]" 4
50 1 60 ASN H 1 61 ARG H 1.800 . 2.900 2.935 2.828 2.970 0.070 5 0 "[ . 1 . 2]" 4
51 1 60 ASN H 1 62 GLU H 1.800 . 5.000 4.863 4.515 5.063 0.063 8 0 "[ . 1 . 2]" 4
52 1 65 SER H 1 67 MET H 1.800 . 6.000 5.827 5.349 6.031 0.031 12 0 "[ . 1 . 2]" 4
53 1 66 GLY H 1 67 MET H 1.800 . 3.500 2.073 1.977 2.410 . 0 0 "[ . 1 . 2]" 4
54 1 70 ILE H 1 71 GLN H 1.800 . 5.000 4.575 4.425 4.681 . 0 0 "[ . 1 . 2]" 4
55 1 71 GLN H 1 72 HIS H 1.800 . 5.000 4.191 3.827 4.423 . 0 0 "[ . 1 . 2]" 4
56 1 72 HIS H 1 73 THR H 1.800 . 5.000 4.443 4.303 4.587 . 0 0 "[ . 1 . 2]" 4
57 1 73 THR H 1 74 TYR H 1.800 . 6.000 3.870 3.284 4.398 . 0 0 "[ . 1 . 2]" 4
58 1 74 TYR H 1 75 ARG H 1.800 . 6.000 4.577 4.346 4.690 . 0 0 "[ . 1 . 2]" 4
59 1 76 LYS H 1 77 GLY H 1.800 . 6.000 3.055 2.780 4.185 . 0 0 "[ . 1 . 2]" 4
60 1 75 ARG H 1 78 VAL H 1.800 . 3.500 2.953 2.303 3.511 0.011 19 0 "[ . 1 . 2]" 4
61 1 77 GLY H 1 78 VAL H 1.800 . 3.500 2.600 2.274 2.868 . 0 0 "[ . 1 . 2]" 4
62 1 78 VAL H 1 79 LYS H 1.800 . 5.000 4.177 3.445 4.597 . 0 0 "[ . 1 . 2]" 4
63 1 73 THR H 1 81 ASP H 1.800 . 3.500 3.225 2.987 3.566 0.066 15 0 "[ . 1 . 2]" 4
64 1 75 ARG H 1 81 ASP H 1.800 . 6.000 5.852 5.340 6.084 0.084 2 0 "[ . 1 . 2]" 4
65 1 81 ASP H 1 82 LYS H 1.800 . 5.000 4.252 3.919 4.415 . 0 0 "[ . 1 . 2]" 4
66 1 72 HIS H 1 83 THR H 1.800 . 6.000 4.993 4.685 5.483 . 0 0 "[ . 1 . 2]" 4
67 1 73 THR H 1 83 THR H 1.800 . 5.000 4.953 4.395 5.059 0.059 19 0 "[ . 1 . 2]" 4
68 1 82 LYS H 1 83 THR H 1.800 . 5.000 4.405 4.123 4.511 . 0 0 "[ . 1 . 2]" 4
69 1 83 THR H 1 84 ASP H 1.800 . 5.000 4.434 4.134 4.575 . 0 0 "[ . 1 . 2]" 4
70 1 69 TYR H 1 85 TYR H 1.800 . 5.000 3.016 2.228 4.133 . 0 0 "[ . 1 . 2]" 4
71 1 71 GLN H 1 85 TYR H 1.800 . 6.000 5.006 3.844 5.882 . 0 0 "[ . 1 . 2]" 4
72 1 84 ASP H 1 85 TYR H 1.800 . 5.000 4.323 3.490 4.600 . 0 0 "[ . 1 . 2]" 4
73 1 85 TYR H 1 86 MET H 1.800 . 5.000 4.442 4.078 4.676 . 0 0 "[ . 1 . 2]" 4
74 1 67 MET H 1 87 VAL H 1.800 . 5.000 4.778 4.430 5.009 0.009 14 0 "[ . 1 . 2]" 4
75 1 86 MET H 1 87 VAL H 1.800 . 5.000 4.443 4.309 4.646 . 0 0 "[ . 1 . 2]" 4
76 1 67 MET H 1 88 GLY H 1.800 . 5.000 3.072 2.590 3.415 . 0 0 "[ . 1 . 2]" 4
77 1 87 VAL H 1 88 GLY H 1.800 . 2.900 2.702 2.490 2.885 . 0 0 "[ . 1 . 2]" 4
78 1 66 GLY H 1 89 SER H 1.800 . 5.000 4.339 3.860 4.942 . 0 0 "[ . 1 . 2]" 4
79 1 67 MET H 1 89 SER H 1.800 . 5.000 4.716 4.323 5.007 0.007 1 0 "[ . 1 . 2]" 4
80 1 88 GLY H 1 89 SER H 1.800 . 5.000 4.409 4.341 4.505 . 0 0 "[ . 1 . 2]" 4
81 1 67 MET H 1 90 TYR QD 1.800 . 6.000 4.451 3.230 5.529 . 0 0 "[ . 1 . 2]" 4
82 1 89 SER H 1 90 TYR QD 1.800 . 6.000 4.598 3.823 4.959 . 0 0 "[ . 1 . 2]" 4
83 1 90 TYR H 1 90 TYR QD 1.800 . 5.000 3.222 2.579 3.543 . 0 0 "[ . 1 . 2]" 4
84 1 90 TYR QD 1 91 GLY H 1.800 . 5.000 4.051 3.723 4.333 . 0 0 "[ . 1 . 2]" 4
85 1 93 ARG H 1 95 GLU H 1.800 . 6.000 4.591 2.834 6.003 0.003 17 0 "[ . 1 . 2]" 4
86 1 95 GLU H 1 96 GLU H 1.800 . 5.000 4.448 4.019 4.711 . 0 0 "[ . 1 . 2]" 4
87 1 57 PHE H 1 97 TYR H 1.800 . 5.000 2.934 1.984 4.065 . 0 0 "[ . 1 . 2]" 4
88 1 96 GLU H 1 97 TYR H 1.800 . 5.000 4.505 4.034 4.675 . 0 0 "[ . 1 . 2]" 4
89 1 97 TYR H 1 98 GLU H 1.800 . 5.000 4.498 4.371 4.642 . 0 0 "[ . 1 . 2]" 4
90 1 55 ILE H 1 99 PHE H 1.800 . 3.500 3.443 2.987 3.524 0.024 3 0 "[ . 1 . 2]" 4
91 1 57 PHE H 1 99 PHE H 1.800 . 5.000 4.983 4.727 5.058 0.058 5 0 "[ . 1 . 2]" 4
92 1 98 GLU H 1 99 PHE H 1.800 . 5.000 3.949 3.449 4.409 . 0 0 "[ . 1 . 2]" 4
93 1 99 PHE H 1 100 LEU H 1.800 . 5.000 4.631 4.525 4.677 . 0 0 "[ . 1 . 2]" 4
94 1 53 ILE H 1 101 THR H 1.800 . 3.500 3.150 2.796 3.517 0.017 10 0 "[ . 1 . 2]" 4
95 1 55 ILE H 1 101 THR H 1.800 . 5.000 4.348 3.902 4.804 . 0 0 "[ . 1 . 2]" 4
96 1 100 LEU H 1 101 THR H 1.800 . 5.000 3.989 3.574 4.277 . 0 0 "[ . 1 . 2]" 4
97 1 51 TYR H 1 104 GLU H 1.800 . 3.500 2.933 2.136 3.480 . 0 0 "[ . 1 . 2]" 4
98 1 103 MET H 1 104 GLU H 1.800 . 5.000 4.561 4.183 4.695 . 0 0 "[ . 1 . 2]" 4
99 1 51 TYR QD 1 105 GLU H 1.800 . 6.000 5.680 4.164 6.027 0.027 13 0 "[ . 1 . 2]" 4
100 1 51 TYR QE 1 105 GLU H 1.800 . 6.000 5.362 4.733 6.032 0.032 3 0 "[ . 1 . 2]" 4
101 1 104 GLU H 1 105 GLU H 1.800 . 5.000 4.205 3.499 4.641 . 0 0 "[ . 1 . 2]" 4
102 1 49 VAL H 1 106 ALA H 1.800 . 5.000 3.022 2.231 3.683 . 0 0 "[ . 1 . 2]" 4
103 1 51 TYR QE 1 106 ALA H 1.800 . 5.000 3.091 2.665 4.378 . 0 0 "[ . 1 . 2]" 4
104 1 105 GLU H 1 106 ALA H 1.800 . 6.000 4.571 4.379 4.655 . 0 0 "[ . 1 . 2]" 4
105 1 48 GLY H 1 108 LYS H 1.800 . 6.000 5.068 3.765 6.044 0.044 6 0 "[ . 1 . 2]" 4
106 1 108 LYS H 1 109 GLY H 1.800 . 5.000 4.497 4.327 4.615 . 0 0 "[ . 1 . 2]" 4
107 1 111 LEU H 1 112 ALA H 1.800 . 5.000 2.825 2.206 3.761 . 0 0 "[ . 1 . 2]" 4
108 1 112 ALA H 1 113 ARG H 1.800 . 2.900 2.652 2.304 2.880 . 0 0 "[ . 1 . 2]" 4
109 1 114 GLY H 1 115 SER H 1.800 . 6.000 4.439 4.390 4.540 . 0 0 "[ . 1 . 2]" 4
110 1 114 GLY H 1 139 ILE H 1.800 . 2.900 2.356 2.067 2.917 0.017 10 0 "[ . 1 . 2]" 4
111 1 74 TYR H 1 117 ASN H 1.800 . 5.000 4.807 4.054 5.026 0.026 15 0 "[ . 1 . 2]" 4
112 1 116 TYR H 1 117 ASN H 1.800 . 6.000 4.226 4.036 4.494 . 0 0 "[ . 1 . 2]" 4
113 1 117 ASN H 1 118 ILE H 1.800 . 5.000 4.607 4.528 4.701 . 0 0 "[ . 1 . 2]" 4
114 1 72 HIS H 1 119 LYS H 1.800 . 3.500 2.516 2.185 2.844 . 0 0 "[ . 1 . 2]" 4
115 1 74 TYR H 1 119 LYS H 1.800 . 6.000 3.468 2.969 4.074 . 0 0 "[ . 1 . 2]" 4
116 1 70 ILE H 1 122 PHE H 1.800 . 6.000 4.869 4.229 5.323 . 0 0 "[ . 1 . 2]" 4
117 1 68 LYS H 1 123 THR H 1.800 . 5.000 3.503 2.967 4.179 . 0 0 "[ . 1 . 2]" 4
118 1 68 LYS H 1 125 ASP H 1.800 . 6.000 5.119 4.484 6.000 0.000 7 0 "[ . 1 . 2]" 4
119 1 124 ASP H 1 125 ASP H 1.800 . 5.000 4.345 4.187 4.534 . 0 0 "[ . 1 . 2]" 4
120 1 124 ASP H 1 126 ASP H 1.800 . 5.000 4.420 3.318 5.013 0.013 9 0 "[ . 1 . 2]" 4
121 1 125 ASP H 1 126 ASP H 1.800 . 3.500 3.059 2.592 3.538 0.038 7 0 "[ . 1 . 2]" 4
122 1 126 ASP H 1 128 THR H 1.800 . 5.000 4.106 3.471 4.617 . 0 0 "[ . 1 . 2]" 4
123 1 127 ARG H 1 128 THR H 1.800 . 3.500 2.676 1.927 3.656 0.156 16 0 "[ . 1 . 2]" 4
124 1 130 HIS H 1 131 LEU H 1.800 . 2.900 2.819 2.393 2.921 0.021 8 0 "[ . 1 . 2]" 4
125 1 131 LEU H 1 132 SER H 1.800 . 5.000 4.291 3.725 4.433 . 0 0 "[ . 1 . 2]" 4
126 1 38 PHE H 1 38 PHE QD 1.800 . 3.500 2.528 1.981 3.110 . 0 0 "[ . 1 . 2]" 4
127 1 120 SER H 1 133 TRP H 1.800 . 3.500 3.463 3.281 3.552 0.052 8 0 "[ . 1 . 2]" 4
128 1 132 SER H 1 133 TRP H 1.800 . 5.000 4.316 4.067 4.475 . 0 0 "[ . 1 . 2]" 4
129 1 133 TRP HE1 1 134 GLU H 1.800 . 6.000 4.732 4.547 5.278 . 0 0 "[ . 1 . 2]" 4
130 1 118 ILE H 1 135 TRP H 1.800 . 2.900 2.836 2.541 2.958 0.058 4 0 "[ . 1 . 2]" 4
131 1 120 SER H 1 135 TRP HD1 1.800 . 5.000 4.263 3.901 4.636 . 0 0 "[ . 1 . 2]" 4
132 1 120 SER H 1 135 TRP HE1 1.800 . 6.000 4.249 3.850 4.711 . 0 0 "[ . 1 . 2]" 4
133 1 133 TRP H 1 135 TRP HD1 1.800 . 6.000 5.357 5.130 5.628 . 0 0 "[ . 1 . 2]" 4
134 1 133 TRP HD1 1 135 TRP HE1 1.800 . 5.000 4.666 4.031 5.012 0.012 8 0 "[ . 1 . 2]" 4
135 1 133 TRP HE1 1 135 TRP HE1 1.800 . 5.000 2.841 2.254 3.235 . 0 0 "[ . 1 . 2]" 4
136 1 135 TRP H 1 135 TRP HE1 1.800 . 6.000 3.992 3.929 4.195 . 0 0 "[ . 1 . 2]" 4
137 1 43 PHE H 1 136 ASN H 1.800 . 6.000 4.866 4.298 5.486 . 0 0 "[ . 1 . 2]" 4
138 1 43 PHE H 1 137 LEU H 1.800 . 6.000 4.919 4.190 5.498 . 0 0 "[ . 1 . 2]" 4
139 1 116 TYR H 1 137 LEU H 1.800 . 3.500 2.047 1.981 2.249 . 0 0 "[ . 1 . 2]" 4
140 1 43 PHE H 1 138 THR H 1.800 . 5.000 3.007 2.163 3.602 . 0 0 "[ . 1 . 2]" 4
141 1 45 LEU H 1 138 THR H 1.800 . 5.000 4.570 3.690 5.033 0.033 7 0 "[ . 1 . 2]" 4
142 1 137 LEU H 1 138 THR H 1.800 . 6.000 4.034 3.781 4.236 . 0 0 "[ . 1 . 2]" 4
143 1 116 TYR H 1 139 ILE H 1.800 . 6.000 4.728 4.140 5.278 . 0 0 "[ . 1 . 2]" 4
144 1 138 THR H 1 139 ILE H 1.800 . 6.000 4.535 4.299 4.665 . 0 0 "[ . 1 . 2]" 4
145 1 45 LEU H 1 140 LYS H 1.800 . 5.000 3.773 3.059 4.274 . 0 0 "[ . 1 . 2]" 4
146 1 47 GLU H 1 140 LYS H 1.800 . 3.500 3.545 3.509 3.588 0.088 11 0 "[ . 1 . 2]" 4
147 1 139 ILE H 1 140 LYS H 1.800 . 6.000 4.580 4.428 4.658 . 0 0 "[ . 1 . 2]" 4
148 1 141 LYS H 1 142 GLU H 1.800 . 2.900 2.132 1.948 2.883 . 0 0 "[ . 1 . 2]" 4
149 1 23 ALA H 1 143 TRP HH2 1.800 . 5.000 4.407 3.767 4.874 . 0 0 "[ . 1 . 2]" 4
150 1 25 GLY H 1 143 TRP HE3 1.800 . 6.000 6.052 6.014 6.093 0.093 11 0 "[ . 1 . 2]" 4
151 1 25 GLY H 1 143 TRP HH2 1.800 . 6.000 5.679 4.486 6.106 0.106 1 0 "[ . 1 . 2]" 4
152 1 143 TRP H 1 143 TRP HE1 1.800 . 5.000 4.277 3.958 4.473 . 0 0 "[ . 1 . 2]" 4
153 1 142 GLU H 1 145 ASP H 1.800 . 6.000 5.936 5.477 6.026 0.026 11 0 "[ . 1 . 2]" 4
stop_
save_
save_distance_constraint_statistics_5
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 5
_Distance_constraint_stats_list.Constraint_count 120
_Distance_constraint_stats_list.Viol_count 232
_Distance_constraint_stats_list.Viol_total 148.684
_Distance_constraint_stats_list.Viol_max 0.256
_Distance_constraint_stats_list.Viol_rms 0.0165
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0031
_Distance_constraint_stats_list.Viol_average_violations_only 0.0320
_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 11 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 THR 0.205 0.048 15 0 "[ . 1 . 2]"
1 16 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 THR 0.112 0.030 12 0 "[ . 1 . 2]"
1 23 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 LEU 0.011 0.011 12 0 "[ . 1 . 2]"
1 31 LEU 0.028 0.014 1 0 "[ . 1 . 2]"
1 32 THR 0.081 0.018 5 0 "[ . 1 . 2]"
1 35 LEU 0.137 0.035 17 0 "[ . 1 . 2]"
1 43 PHE 0.011 0.011 12 0 "[ . 1 . 2]"
1 45 LEU 0.172 0.058 6 0 "[ . 1 . 2]"
1 46 LYS 0.117 0.047 1 0 "[ . 1 . 2]"
1 49 VAL 0.439 0.095 1 0 "[ . 1 . 2]"
1 51 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 ARG 0.141 0.016 10 0 "[ . 1 . 2]"
1 53 ILE 0.076 0.032 8 0 "[ . 1 . 2]"
1 54 LYS 0.065 0.024 14 0 "[ . 1 . 2]"
1 57 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 ARG 0.124 0.048 15 0 "[ . 1 . 2]"
1 59 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 ILE 0.069 0.015 5 0 "[ . 1 . 2]"
1 64 VAL 0.252 0.058 9 0 "[ . 1 . 2]"
1 67 MET 0.111 0.058 9 0 "[ . 1 . 2]"
1 69 TYR 0.334 0.077 17 0 "[ . 1 . 2]"
1 70 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 THR 0.056 0.020 13 0 "[ . 1 . 2]"
1 79 LYS 0.329 0.052 11 0 "[ . 1 . 2]"
1 81 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 99 PHE 0.039 0.021 3 0 "[ . 1 . 2]"
1 100 LEU 0.205 0.024 14 0 "[ . 1 . 2]"
1 101 THR 0.115 0.032 8 0 "[ . 1 . 2]"
1 102 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 110 MET 0.319 0.182 15 0 "[ . 1 . 2]"
1 111 LEU 1.669 0.256 2 0 "[ . 1 . 2]"
1 113 ARG 0.339 0.183 16 0 "[ . 1 . 2]"
1 114 GLY 0.186 0.183 16 0 "[ . 1 . 2]"
1 115 SER 0.118 0.032 14 0 "[ . 1 . 2]"
1 116 TYR 0.090 0.090 6 0 "[ . 1 . 2]"
1 118 ILE 1.425 0.127 16 0 "[ . 1 . 2]"
1 120 SER 0.334 0.077 17 0 "[ . 1 . 2]"
1 124 ASP 0.071 0.022 4 0 "[ . 1 . 2]"
1 128 THR 0.647 0.069 3 0 "[ . 1 . 2]"
1 130 HIS 0.544 0.069 3 0 "[ . 1 . 2]"
1 131 LEU 0.013 0.013 10 0 "[ . 1 . 2]"
1 135 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 136 ASN 0.118 0.032 14 0 "[ . 1 . 2]"
1 137 LEU 0.981 0.090 6 0 "[ . 1 . 2]"
1 138 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 140 LYS 0.153 0.038 13 0 "[ . 1 . 2]"
1 143 TRP 0.668 0.095 1 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 14 THR HA 1 14 THR MG 1.800 . 3.200 2.390 2.341 2.439 . 0 0 "[ . 1 . 2]" 5
2 1 18 LEU HA 1 18 LEU QD 1.800 . 3.200 2.476 2.076 2.882 . 0 0 "[ . 1 . 2]" 5
3 1 21 SER QB 1 22 THR MG 1.800 . 3.800 2.939 2.517 3.750 . 0 0 "[ . 1 . 2]" 5
4 1 22 THR HA 1 22 THR MG 1.800 . 3.200 2.265 2.147 2.391 . 0 0 "[ . 1 . 2]" 5
5 1 14 THR HA 1 32 THR MG 1.800 . 3.200 2.512 1.956 3.103 . 0 0 "[ . 1 . 2]" 5
6 1 14 THR HB 1 32 THR MG 1.800 . 3.800 3.661 3.150 3.818 0.018 5 0 "[ . 1 . 2]" 5
7 1 14 THR MG 1 32 THR MG 1.800 . 4.300 3.557 3.091 3.899 . 0 0 "[ . 1 . 2]" 5
8 1 32 THR HA 1 32 THR MG 1.800 . 3.200 2.268 2.155 2.358 . 0 0 "[ . 1 . 2]" 5
9 1 31 LEU HA 1 35 LEU MD1 1.800 . 6.500 3.724 2.801 4.377 . 0 0 "[ . 1 . 2]" 5
10 1 31 LEU MD2 1 35 LEU MD1 1.800 . 6.000 3.269 2.228 3.999 . 0 0 "[ . 1 . 2]" 5
11 1 31 LEU HA 1 35 LEU MD2 1.800 . 3.200 2.150 1.860 3.214 0.014 1 0 "[ . 1 . 2]" 5
12 1 31 LEU MD2 1 35 LEU MD2 1.800 . 3.700 2.283 1.786 2.929 0.014 20 0 "[ . 1 . 2]" 5
13 1 35 LEU HA 1 35 LEU MD1 1.800 . 3.800 3.520 2.104 3.835 0.035 17 0 "[ . 1 . 2]" 5
14 1 35 LEU HA 1 35 LEU MD2 1.800 . 3.200 1.997 1.936 2.173 . 0 0 "[ . 1 . 2]" 5
15 1 18 LEU QD 1 43 PHE QB 1.800 . 3.800 3.362 2.601 3.698 . 0 0 "[ . 1 . 2]" 5
16 1 27 LEU MD2 1 43 PHE HA 1.800 . 3.800 3.414 2.674 3.811 0.011 12 0 "[ . 1 . 2]" 5
17 1 27 LEU MD2 1 43 PHE QB 1.800 . 5.500 3.581 1.975 4.538 . 0 0 "[ . 1 . 2]" 5
18 1 45 LEU MD2 1 46 LYS H 1.800 . 4.000 2.560 1.860 3.844 . 0 0 "[ . 1 . 2]" 5
19 1 18 LEU QD 1 53 ILE HA 1.800 . 3.800 3.240 2.410 3.736 . 0 0 "[ . 1 . 2]" 5
20 1 18 LEU QD 1 53 ILE QG 1.800 . 3.800 2.182 1.821 3.573 . 0 0 "[ . 1 . 2]" 5
21 1 18 LEU QD 1 51 TYR QE 1.800 . 3.800 2.866 1.991 3.529 . 0 0 "[ . 1 . 2]" 5
22 1 18 LEU QD 1 51 TYR QD 1.800 . 3.800 2.506 1.939 2.976 . 0 0 "[ . 1 . 2]" 5
23 1 18 LEU QD 1 135 TRP HH2 1.800 . 3.200 2.798 2.286 3.035 . 0 0 "[ . 1 . 2]" 5
24 1 16 LEU MD2 1 43 PHE HZ 1.800 . 5.500 4.566 3.599 5.453 . 0 0 "[ . 1 . 2]" 5
25 1 14 THR MG 1 57 PHE HA 1.800 . 3.800 1.948 1.860 2.321 . 0 0 "[ . 1 . 2]" 5
26 1 14 THR MG 1 58 ARG QD 1.800 . 3.800 3.551 3.145 3.848 0.048 15 0 "[ . 1 . 2]" 5
27 1 59 VAL QG 1 60 ASN HA 1.800 . 5.500 3.799 3.718 3.940 . 0 0 "[ . 1 . 2]" 5
28 1 11 VAL QG 1 64 VAL MG1 1.800 . 6.000 2.517 1.989 2.800 . 0 0 "[ . 1 . 2]" 5
29 1 63 ILE HA 1 64 VAL MG1 1.800 . 5.500 5.489 5.404 5.515 0.015 5 0 "[ . 1 . 2]" 5
30 1 64 VAL HA 1 64 VAL MG1 1.800 . 3.200 2.395 2.299 2.447 . 0 0 "[ . 1 . 2]" 5
31 1 64 VAL MG1 1 67 MET QG 1.800 . 3.800 2.893 1.859 3.858 0.058 9 0 "[ . 1 . 2]" 5
32 1 73 THR HA 1 73 THR MG 1.800 . 3.200 2.268 2.029 2.386 . 0 0 "[ . 1 . 2]" 5
33 1 79 LYS HA 1 79 LYS QG 1.800 . 3.300 2.810 2.063 3.352 0.052 11 0 "[ . 1 . 2]" 5
34 1 73 THR MG 1 81 ASP QB 1.800 . 5.500 4.058 3.113 5.379 . 0 0 "[ . 1 . 2]" 5
35 1 82 LYS HA 1 82 LYS QG 1.800 . 5.000 3.217 2.389 3.396 . 0 0 "[ . 1 . 2]" 5
36 1 83 THR HA 1 83 THR MG 1.800 . 3.200 2.229 2.129 2.361 . 0 0 "[ . 1 . 2]" 5
37 1 70 ILE QG 1 84 ASP HA 1.800 . 5.000 2.456 2.025 4.411 . 0 0 "[ . 1 . 2]" 5
38 1 83 THR MG 1 84 ASP HA 1.800 . 5.500 4.054 3.857 4.409 . 0 0 "[ . 1 . 2]" 5
39 1 59 VAL QG 1 92 PRO HA 1.800 . 3.200 2.345 1.847 3.130 . 0 0 "[ . 1 . 2]" 5
40 1 59 VAL QG 1 92 PRO QD 1.800 . 3.800 3.414 2.910 3.791 . 0 0 "[ . 1 . 2]" 5
41 1 52 ARG HD3 1 100 LEU MD2 1.800 . 3.200 2.785 1.835 3.216 0.016 10 0 "[ . 1 . 2]" 5
42 1 52 ARG HD2 1 100 LEU MD2 1.800 . 3.200 2.953 2.427 3.214 0.014 8 0 "[ . 1 . 2]" 5
43 1 54 LYS QE 1 100 LEU MD1 1.800 . 6.500 3.493 1.886 4.967 . 0 0 "[ . 1 . 2]" 5
44 1 54 LYS HA 1 100 LEU MD2 1.800 . 3.800 3.338 2.504 3.824 0.024 14 0 "[ . 1 . 2]" 5
45 1 54 LYS QE 1 100 LEU MD2 1.800 . 3.800 3.150 1.847 3.817 0.017 16 0 "[ . 1 . 2]" 5
46 1 99 PHE HA 1 100 LEU MD2 1.800 . 6.500 5.732 5.037 6.005 . 0 0 "[ . 1 . 2]" 5
47 1 110 MET QG 1 111 LEU MD1 1.800 . 6.500 5.880 3.612 6.682 0.182 15 0 "[ . 1 . 2]" 5
48 1 111 LEU HA 1 111 LEU MD1 1.800 . 3.800 3.076 2.006 4.056 0.256 2 0 "[ . 1 . 2]" 5
49 1 111 LEU HA 1 111 LEU MD2 1.800 . 3.200 2.437 1.927 3.399 0.199 5 0 "[ . 1 . 2]" 5
50 1 73 THR MG 1 116 TYR HB2 1.800 . 5.500 4.334 3.798 4.799 . 0 0 "[ . 1 . 2]" 5
51 1 73 THR MG 1 116 TYR HB3 1.800 . 3.800 3.088 2.684 3.525 . 0 0 "[ . 1 . 2]" 5
52 1 73 THR MG 1 118 ILE HG12 1.800 . 5.500 3.904 2.835 5.247 . 0 0 "[ . 1 . 2]" 5
53 1 73 THR MG 1 118 ILE HG13 1.800 . 5.500 4.869 4.243 5.520 0.020 13 0 "[ . 1 . 2]" 5
54 1 118 ILE HA 1 118 ILE HG12 1.800 . 3.300 2.696 2.426 3.099 . 0 0 "[ . 1 . 2]" 5
55 1 118 ILE H 1 118 ILE HG12 1.800 . 3.500 3.266 2.551 3.627 0.127 16 0 "[ . 1 . 2]" 5
56 1 118 ILE H 1 118 ILE HG13 1.800 . 5.000 3.032 2.423 4.105 . 0 0 "[ . 1 . 2]" 5
57 1 118 ILE H 1 118 ILE MD 1.800 . 4.000 3.830 3.640 4.042 0.042 16 0 "[ . 1 . 2]" 5
58 1 64 VAL MG1 1 124 ASP QB 1.800 . 3.800 2.109 1.778 3.294 0.022 4 0 "[ . 1 . 2]" 5
59 1 128 THR HA 1 128 THR MG 1.800 . 3.200 3.205 3.200 3.210 0.010 3 0 "[ . 1 . 2]" 5
60 1 128 THR MG 1 130 HIS HA 1.800 . 3.800 3.824 3.765 3.869 0.069 3 0 "[ . 1 . 2]" 5
61 1 13 VAL QG 1 131 LEU MD1 1.800 . 6.000 4.395 2.246 5.301 . 0 0 "[ . 1 . 2]" 5
62 1 35 LEU MD1 1 131 LEU MD2 1.800 . 4.300 2.882 1.989 4.313 0.013 10 0 "[ . 1 . 2]" 5
63 1 131 LEU HA 1 131 LEU MD1 1.800 . 3.200 2.307 1.969 3.140 . 0 0 "[ . 1 . 2]" 5
64 1 131 LEU HA 1 131 LEU MD2 1.800 . 5.500 3.613 1.877 3.836 . 0 0 "[ . 1 . 2]" 5
65 1 43 PHE HB3 1 137 LEU MD2 1.800 . 6.500 5.086 3.052 6.129 . 0 0 "[ . 1 . 2]" 5
66 1 43 PHE HB2 1 137 LEU MD2 1.800 . 5.500 4.624 2.302 5.010 . 0 0 "[ . 1 . 2]" 5
67 1 45 LEU MD1 1 137 LEU MD2 1.800 . 3.700 2.282 1.793 3.758 0.058 6 0 "[ . 1 . 2]" 5
68 1 118 ILE MD 1 137 LEU MD2 1.800 . 3.700 2.580 1.836 3.322 . 0 0 "[ . 1 . 2]" 5
69 1 137 LEU HA 1 137 LEU MD2 1.800 . 3.800 3.761 2.327 3.868 0.068 2 0 "[ . 1 . 2]" 5
70 1 137 LEU HA 1 137 LEU MD1 1.800 . 3.200 2.038 1.938 2.272 . 0 0 "[ . 1 . 2]" 5
71 1 101 THR H 1 101 THR MG 1.800 . 3.200 2.250 2.010 2.478 . 0 0 "[ . 1 . 2]" 5
72 1 53 ILE H 1 101 THR MG 1.800 . 4.000 3.776 3.326 4.032 0.032 8 0 "[ . 1 . 2]" 5
73 1 101 THR HA 1 101 THR MG 1.800 . 3.200 2.412 2.308 2.481 . 0 0 "[ . 1 . 2]" 5
74 1 53 ILE HB 1 101 THR MG 1.800 . 3.200 2.471 1.972 3.016 . 0 0 "[ . 1 . 2]" 5
75 1 99 PHE QD 1 101 THR MG 1.800 . 3.800 2.735 2.271 3.326 . 0 0 "[ . 1 . 2]" 5
76 1 101 THR MG 1 102 PRO QD 1.800 . 3.800 3.350 3.216 3.447 . 0 0 "[ . 1 . 2]" 5
77 1 99 PHE HZ 1 101 THR MG 1.800 . 3.800 3.470 2.612 3.821 0.021 3 0 "[ . 1 . 2]" 5
78 1 99 PHE QE 1 101 THR MG 1.800 . 3.800 1.991 1.821 2.436 . 0 0 "[ . 1 . 2]" 5
79 1 87 VAL MG1 1 99 PHE QB 1.800 . 3.800 2.123 1.832 3.308 . 0 0 "[ . 1 . 2]" 5
80 1 87 VAL H 1 87 VAL MG1 1.800 . 5.500 3.732 3.718 3.762 . 0 0 "[ . 1 . 2]" 5
81 1 87 VAL HA 1 87 VAL MG1 1.800 . 3.200 2.383 2.258 2.431 . 0 0 "[ . 1 . 2]" 5
82 1 67 MET QB 1 87 VAL MG1 1.800 . 3.800 2.778 2.142 3.302 . 0 0 "[ . 1 . 2]" 5
83 1 87 VAL MG1 1 88 GLY H 1.800 . 5.500 3.167 2.814 3.642 . 0 0 "[ . 1 . 2]" 5
84 1 18 LEU QD 1 51 TYR QB 1.800 . 5.500 3.278 2.472 4.727 . 0 0 "[ . 1 . 2]" 5
85 1 116 TYR HB2 1 137 LEU MD2 1.800 . 3.800 3.275 2.764 3.890 0.090 6 0 "[ . 1 . 2]" 5
86 1 43 PHE HB3 1 137 LEU MD1 1.800 . 3.800 2.676 1.847 3.708 . 0 0 "[ . 1 . 2]" 5
87 1 43 PHE HB2 1 137 LEU MD1 1.800 . 3.800 2.134 1.828 2.470 . 0 0 "[ . 1 . 2]" 5
88 1 45 LEU MD1 1 137 LEU MD1 1.800 . 3.200 2.023 1.777 3.257 0.057 1 0 "[ . 1 . 2]" 5
89 1 27 LEU MD1 1 43 PHE QB 1.800 . 5.500 2.670 1.810 4.179 . 0 0 "[ . 1 . 2]" 5
90 1 18 LEU HB3 1 27 LEU MD1 1.800 . 3.800 2.939 2.317 3.375 . 0 0 "[ . 1 . 2]" 5
91 1 18 LEU HB2 1 27 LEU MD1 1.800 . 3.800 2.886 2.186 3.600 . 0 0 "[ . 1 . 2]" 5
92 1 49 VAL MG1 1 143 TRP HZ2 1.800 . 3.200 3.096 2.371 3.295 0.095 1 0 "[ . 1 . 2]" 5
93 1 49 VAL MG1 1 143 TRP HH2 1.800 . 5.500 4.343 3.119 4.994 . 0 0 "[ . 1 . 2]" 5
94 1 46 LYS HB2 1 49 VAL MG1 1.800 . 3.800 2.768 1.897 3.278 . 0 0 "[ . 1 . 2]" 5
95 1 46 LYS HB3 1 49 VAL MG1 1.800 . 3.800 1.859 1.806 1.943 . 0 0 "[ . 1 . 2]" 5
96 1 49 VAL HA 1 49 VAL MG1 1.800 . 3.200 2.333 2.251 2.426 . 0 0 "[ . 1 . 2]" 5
97 1 46 LYS QE 1 49 VAL MG1 1.800 . 5.500 3.863 2.852 4.449 . 0 0 "[ . 1 . 2]" 5
98 1 46 LYS QD 1 49 VAL MG1 1.800 . 3.800 2.798 2.429 3.308 . 0 0 "[ . 1 . 2]" 5
99 1 69 TYR HE1 1 120 SER HB3 1.800 . 3.300 2.681 1.989 3.377 0.077 17 0 "[ . 1 . 2]" 5
100 1 69 TYR HE1 1 120 SER HB2 1.800 . 3.300 2.911 1.985 3.333 0.033 2 0 "[ . 1 . 2]" 5
101 1 22 THR HA 1 143 TRP HE1 1.800 . 6.000 5.675 4.767 6.030 0.030 12 0 "[ . 1 . 2]" 5
102 1 23 ALA HA 1 143 TRP HE1 1.800 . 6.000 3.936 3.070 4.760 . 0 0 "[ . 1 . 2]" 5
103 1 46 LYS QD 1 143 TRP HE1 1.800 . 2.900 2.567 1.948 2.947 0.047 1 0 "[ . 1 . 2]" 5
104 1 49 VAL MG1 1 143 TRP HE1 1.800 . 4.000 3.106 2.616 3.981 . 0 0 "[ . 1 . 2]" 5
105 1 49 VAL MG2 1 143 TRP HE1 1.800 . 5.500 4.857 4.058 5.308 . 0 0 "[ . 1 . 2]" 5
106 1 46 LYS QG 1 143 TRP HE1 1.800 . 5.000 4.202 2.806 4.789 . 0 0 "[ . 1 . 2]" 5
107 1 46 LYS QB 1 143 TRP HE1 1.800 . 5.000 2.995 2.367 4.616 . 0 0 "[ . 1 . 2]" 5
108 1 85 TYR QE 1 102 PRO HD3 1.800 . 5.000 4.255 3.578 4.783 . 0 0 "[ . 1 . 2]" 5
109 1 85 TYR QE 1 102 PRO HD2 1.800 . 5.000 2.947 2.219 3.531 . 0 0 "[ . 1 . 2]" 5
110 1 115 SER HB3 1 136 ASN HB3 1.800 . 5.000 3.636 3.326 3.787 . 0 0 "[ . 1 . 2]" 5
111 1 115 SER HB3 1 136 ASN HB2 1.800 . 5.000 4.926 4.682 5.032 0.032 14 0 "[ . 1 . 2]" 5
112 1 115 SER HB2 1 136 ASN HB3 1.800 . 5.000 2.462 2.016 3.003 . 0 0 "[ . 1 . 2]" 5
113 1 115 SER HB2 1 136 ASN HB2 1.800 . 5.000 3.988 3.380 4.444 . 0 0 "[ . 1 . 2]" 5
114 1 115 SER HB3 1 138 THR MG 1.800 . 5.500 3.703 3.444 3.994 . 0 0 "[ . 1 . 2]" 5
115 1 115 SER HB2 1 138 THR MG 1.800 . 6.500 4.992 4.826 5.176 . 0 0 "[ . 1 . 2]" 5
116 1 115 SER H 1 115 SER HB3 1.800 . 3.500 2.874 2.552 3.081 . 0 0 "[ . 1 . 2]" 5
117 1 113 ARG HD3 1 140 LYS HA 1.800 . 5.000 4.839 4.052 5.038 0.038 13 0 "[ . 1 . 2]" 5
118 1 113 ARG HD2 1 140 LYS HA 1.800 . 5.000 4.301 2.684 5.027 0.027 4 0 "[ . 1 . 2]" 5
119 1 113 ARG HB3 1 114 GLY QA 1.800 . 5.000 3.976 3.749 4.179 . 0 0 "[ . 1 . 2]" 5
120 1 113 ARG HB2 1 114 GLY QA 1.800 . 5.000 4.736 4.162 5.183 0.183 16 0 "[ . 1 . 2]" 5
stop_
save_
save_distance_constraint_statistics_6
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 6
_Distance_constraint_stats_list.Constraint_count 102
_Distance_constraint_stats_list.Viol_count 346
_Distance_constraint_stats_list.Viol_total 366.277
_Distance_constraint_stats_list.Viol_max 0.297
_Distance_constraint_stats_list.Viol_rms 0.0329
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0090
_Distance_constraint_stats_list.Viol_average_violations_only 0.0529
_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 11 VAL 0.445 0.103 6 0 "[ . 1 . 2]"
1 12 VAL 0.904 0.085 12 0 "[ . 1 . 2]"
1 13 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 THR 3.808 0.277 8 0 "[ . 1 . 2]"
1 16 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 CYS 0.269 0.059 2 0 "[ . 1 . 2]"
1 22 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 ALA 0.269 0.059 2 0 "[ . 1 . 2]"
1 24 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 LEU 0.904 0.085 12 0 "[ . 1 . 2]"
1 36 GLU 0.162 0.022 4 0 "[ . 1 . 2]"
1 37 SER 0.132 0.033 4 0 "[ . 1 . 2]"
1 38 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 LYS 0.162 0.022 4 0 "[ . 1 . 2]"
1 40 LYS 0.132 0.033 4 0 "[ . 1 . 2]"
1 45 LEU 0.012 0.008 14 0 "[ . 1 . 2]"
1 46 LYS 0.005 0.005 7 0 "[ . 1 . 2]"
1 47 GLU 0.205 0.110 12 0 "[ . 1 . 2]"
1 48 GLY 0.081 0.044 12 0 "[ . 1 . 2]"
1 49 VAL 0.193 0.024 14 0 "[ . 1 . 2]"
1 50 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 ILE 0.638 0.049 3 0 "[ . 1 . 2]"
1 54 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 PHE 0.084 0.049 17 0 "[ . 1 . 2]"
1 62 GLU 0.704 0.079 18 0 "[ . 1 . 2]"
1 63 ILE 1.447 0.079 18 0 "[ . 1 . 2]"
1 64 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 MET 6.766 0.277 8 0 "[ . 1 . 2]"
1 68 LYS 0.009 0.007 11 0 "[ . 1 . 2]"
1 69 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 ILE 0.792 0.052 1 0 "[ . 1 . 2]"
1 73 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 TYR 0.047 0.025 17 0 "[ . 1 . 2]"
1 75 ARG 0.002 0.002 5 0 "[ . 1 . 2]"
1 79 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 ILE 4.208 0.297 2 0 "[ . 1 . 2]"
1 81 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 ASP 0.436 0.052 1 0 "[ . 1 . 2]"
1 86 MET 0.009 0.007 11 0 "[ . 1 . 2]"
1 87 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 TYR 1.177 0.140 4 0 "[ . 1 . 2]"
1 91 GLY 0.063 0.019 17 0 "[ . 1 . 2]"
1 92 PRO 0.043 0.025 8 0 "[ . 1 . 2]"
1 94 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 99 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 105 GLU 0.841 0.069 9 0 "[ . 1 . 2]"
1 106 ALA 0.934 0.069 9 0 "[ . 1 . 2]"
1 107 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 108 LYS 0.819 0.159 14 0 "[ . 1 . 2]"
1 109 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 111 LEU 0.850 0.293 16 0 "[ . 1 . 2]"
1 112 ALA 1.464 0.293 16 0 "[ . 1 . 2]"
1 113 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 114 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 115 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 116 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 121 ARG 0.072 0.033 6 0 "[ . 1 . 2]"
1 122 PHE 0.170 0.053 18 0 "[ . 1 . 2]"
1 123 THR 0.214 0.083 18 0 "[ . 1 . 2]"
1 124 ASP 1.273 0.088 20 0 "[ . 1 . 2]"
1 131 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 138 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 139 ILE 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 20 CYS QB 1 23 ALA MB 1.800 . 3.200 1.981 1.741 2.984 0.059 2 0 "[ . 1 . 2]" 6
2 1 22 THR HA 1 23 ALA MB 1.800 . 6.500 4.617 4.372 4.959 . 0 0 "[ . 1 . 2]" 6
3 1 23 ALA MB 1 24 PRO HA 1.800 . 5.500 4.333 4.254 4.413 . 0 0 "[ . 1 . 2]" 6
4 1 23 ALA MB 1 24 PRO QG 1.800 . 5.500 3.528 3.400 3.918 . 0 0 "[ . 1 . 2]" 6
5 1 45 LEU MD1 1 49 VAL MG2 1.800 . 4.300 2.700 2.478 3.015 . 0 0 "[ . 1 . 2]" 6
6 1 46 LYS QB 1 49 VAL MG2 1.800 . 3.800 3.377 1.867 3.805 0.005 7 0 "[ . 1 . 2]" 6
7 1 46 LYS H 1 49 VAL MG2 1.800 . 4.000 2.880 2.250 3.853 . 0 0 "[ . 1 . 2]" 6
8 1 49 VAL HA 1 49 VAL MG2 1.800 . 3.200 3.209 3.198 3.224 0.024 14 0 "[ . 1 . 2]" 6
9 1 49 VAL MG2 1 50 GLU QG 1.800 . 6.500 5.023 3.887 5.648 . 0 0 "[ . 1 . 2]" 6
10 1 16 LEU MD2 1 53 ILE MD 1.800 . 6.000 3.651 2.887 4.620 . 0 0 "[ . 1 . 2]" 6
11 1 16 LEU MD2 1 53 ILE MG 1.800 . 6.000 2.371 1.861 3.053 . 0 0 "[ . 1 . 2]" 6
12 1 18 LEU HA 1 53 ILE MD 1.800 . 5.500 4.769 3.060 5.476 . 0 0 "[ . 1 . 2]" 6
13 1 53 ILE HA 1 53 ILE MD 1.800 . 3.800 3.650 1.950 3.849 0.049 3 0 "[ . 1 . 2]" 6
14 1 53 ILE MG 1 54 LYS HA 1.800 . 6.500 3.735 3.431 3.895 . 0 0 "[ . 1 . 2]" 6
15 1 13 VAL MG1 1 55 ILE MG 1.800 . 4.300 2.447 1.980 2.885 . 0 0 "[ . 1 . 2]" 6
16 1 55 ILE HA 1 55 ILE MG 1.800 . 3.200 2.361 2.291 2.469 . 0 0 "[ . 1 . 2]" 6
17 1 55 ILE MG 1 56 SER HA 1.800 . 5.500 3.781 3.561 4.029 . 0 0 "[ . 1 . 2]" 6
18 1 55 ILE MG 1 57 PHE QB 1.800 . 6.500 3.254 3.065 3.566 . 0 0 "[ . 1 . 2]" 6
19 1 62 GLU HA 1 63 ILE MG 1.800 . 5.500 5.535 5.492 5.579 0.079 18 0 "[ . 1 . 2]" 6
20 1 63 ILE HA 1 63 ILE MD 1.800 . 3.800 3.783 3.447 3.869 0.069 1 0 "[ . 1 . 2]" 6
21 1 63 ILE HA 1 63 ILE MG 1.800 . 3.200 2.362 2.303 2.446 . 0 0 "[ . 1 . 2]" 6
22 1 63 ILE MG 1 64 VAL HA 1.800 . 5.500 4.131 3.718 4.313 . 0 0 "[ . 1 . 2]" 6
23 1 11 VAL HA 1 67 MET ME 1.800 . 6.500 4.220 3.726 4.726 . 0 0 "[ . 1 . 2]" 6
24 1 11 VAL QG 1 67 MET ME 1.800 . 4.300 1.807 1.697 2.022 0.103 6 0 "[ . 1 . 2]" 6
25 1 14 THR H 1 67 MET ME 1.800 . 5.500 5.690 5.636 5.777 0.277 8 0 "[ . 1 . 2]" 6
26 1 57 PHE HZ 1 67 MET ME 1.800 . 3.800 3.524 3.047 3.849 0.049 17 0 "[ . 1 . 2]" 6
27 1 67 MET HA 1 67 MET ME 1.800 . 5.500 4.328 4.078 4.591 . 0 0 "[ . 1 . 2]" 6
28 1 69 TYR HA 1 70 ILE MD 1.800 . 5.500 4.650 2.793 5.297 . 0 0 "[ . 1 . 2]" 6
29 1 70 ILE HA 1 70 ILE MD 1.800 . 3.800 3.475 1.949 3.824 0.024 18 0 "[ . 1 . 2]" 6
30 1 73 THR HB 1 80 ILE MD 1.800 . 5.500 2.823 2.097 3.952 . 0 0 "[ . 1 . 2]" 6
31 1 73 THR HB 1 80 ILE MG 1.800 . 6.500 4.120 2.512 5.056 . 0 0 "[ . 1 . 2]" 6
32 1 74 TYR HA 1 80 ILE MD 1.800 . 5.500 4.895 2.955 5.507 0.007 10 0 "[ . 1 . 2]" 6
33 1 74 TYR HA 1 80 ILE MG 1.800 . 5.500 4.462 3.524 5.525 0.025 17 0 "[ . 1 . 2]" 6
34 1 75 ARG QB 1 80 ILE MD 1.800 . 3.800 3.013 1.853 3.783 . 0 0 "[ . 1 . 2]" 6
35 1 75 ARG QD 1 80 ILE MD 1.800 . 5.500 3.425 1.830 5.192 . 0 0 "[ . 1 . 2]" 6
36 1 75 ARG QB 1 80 ILE MG 1.800 . 5.500 2.970 1.798 5.349 0.002 5 0 "[ . 1 . 2]" 6
37 1 79 LYS HA 1 80 ILE MD 1.800 . 5.500 5.113 2.788 5.471 . 0 0 "[ . 1 . 2]" 6
38 1 79 LYS HA 1 80 ILE MG 1.800 . 5.500 4.113 3.433 5.443 . 0 0 "[ . 1 . 2]" 6
39 1 80 ILE HA 1 80 ILE MD 1.800 . 3.800 3.846 3.576 4.080 0.280 15 0 "[ . 1 . 2]" 6
40 1 80 ILE HA 1 80 ILE MG 1.800 . 3.200 2.368 2.197 2.757 . 0 0 "[ . 1 . 2]" 6
41 1 80 ILE H 1 80 ILE MG 1.800 . 3.400 2.952 2.522 3.671 0.271 14 0 "[ . 1 . 2]" 6
42 1 80 ILE MG 1 81 ASP H 1.800 . 5.500 3.567 2.245 4.087 . 0 0 "[ . 1 . 2]" 6
43 1 80 ILE H 1 80 ILE MD 1.800 . 4.000 3.564 1.923 3.829 . 0 0 "[ . 1 . 2]" 6
44 1 80 ILE MD 1 81 ASP H 1.800 . 5.500 3.647 3.151 4.435 . 0 0 "[ . 1 . 2]" 6
45 1 80 ILE H 1 80 ILE QG 1.800 . 3.500 2.183 1.940 3.075 . 0 0 "[ . 1 . 2]" 6
46 1 80 ILE QG 1 81 ASP H 1.800 . 5.000 2.604 1.934 4.267 . 0 0 "[ . 1 . 2]" 6
47 1 80 ILE HA 1 80 ILE HB 1.800 . 2.700 2.628 2.469 2.997 0.297 2 0 "[ . 1 . 2]" 6
48 1 70 ILE MD 1 84 ASP HA 1.800 . 3.800 3.636 2.313 3.852 0.052 1 0 "[ . 1 . 2]" 6
49 1 70 ILE MD 1 84 ASP QB 1.800 . 5.500 3.139 2.010 3.830 . 0 0 "[ . 1 . 2]" 6
50 1 67 MET ME 1 87 VAL MG2 1.800 . 7.000 3.894 3.068 4.730 . 0 0 "[ . 1 . 2]" 6
51 1 67 MET ME 1 90 TYR QD 1.800 . 3.200 3.249 3.002 3.340 0.140 4 0 "[ . 1 . 2]" 6
52 1 63 ILE MD 1 91 GLY QA 1.800 . 3.800 3.580 3.157 3.819 0.019 17 0 "[ . 1 . 2]" 6
53 1 63 ILE MG 1 91 GLY QA 1.800 . 3.800 2.513 2.058 2.946 . 0 0 "[ . 1 . 2]" 6
54 1 63 ILE MD 1 92 PRO QD 1.800 . 3.800 3.148 2.686 3.804 0.004 8 0 "[ . 1 . 2]" 6
55 1 63 ILE MG 1 92 PRO QD 1.800 . 3.800 3.504 3.250 3.825 0.025 8 0 "[ . 1 . 2]" 6
56 1 62 GLU HA 1 63 ILE MD 1.800 . 5.500 4.535 2.878 4.989 . 0 0 "[ . 1 . 2]" 6
57 1 94 ALA MB 1 95 GLU QG 1.800 . 6.500 3.954 2.552 5.700 . 0 0 "[ . 1 . 2]" 6
58 1 55 ILE MG 1 99 PHE QB 1.800 . 6.500 3.324 3.082 3.549 . 0 0 "[ . 1 . 2]" 6
59 1 45 LEU MD1 1 106 ALA MB 1.800 . 3.200 2.888 2.589 3.208 0.008 14 0 "[ . 1 . 2]" 6
60 1 105 GLU HA 1 106 ALA MB 1.800 . 3.800 3.842 3.804 3.869 0.069 9 0 "[ . 1 . 2]" 6
61 1 106 ALA MB 1 107 PRO QD 1.800 . 3.200 1.948 1.842 2.299 . 0 0 "[ . 1 . 2]" 6
62 1 70 ILE MD 1 121 ARG QB 1.800 . 3.800 3.100 2.152 3.833 0.033 6 0 "[ . 1 . 2]" 6
63 1 55 ILE MG 1 122 PHE HZ 1.800 . 5.500 2.909 1.948 4.049 . 0 0 "[ . 1 . 2]" 6
64 1 67 MET ME 1 122 PHE QD 1.800 . 3.800 3.440 2.545 3.853 0.053 18 0 "[ . 1 . 2]" 6
65 1 67 MET ME 1 122 PHE HZ 1.800 . 3.800 2.382 1.846 3.842 0.042 3 0 "[ . 1 . 2]" 6
66 1 70 ILE MD 1 123 THR MG 1.800 . 3.700 3.006 2.175 3.717 0.017 18 0 "[ . 1 . 2]" 6
67 1 122 PHE HA 1 123 THR MG 1.800 . 5.500 3.666 3.406 4.061 . 0 0 "[ . 1 . 2]" 6
68 1 123 THR HA 1 123 THR MG 1.800 . 3.800 3.019 2.198 3.211 . 0 0 "[ . 1 . 2]" 6
69 1 67 MET ME 1 124 ASP HA 1.800 . 5.500 5.551 5.447 5.588 0.088 20 0 "[ . 1 . 2]" 6
70 1 123 THR MG 1 124 ASP HA 1.800 . 5.500 4.176 3.391 5.583 0.083 18 0 "[ . 1 . 2]" 6
71 1 47 GLU HA 1 139 ILE MG 1.800 . 3.200 2.407 1.961 2.921 . 0 0 "[ . 1 . 2]" 6
72 1 49 VAL MG2 1 139 ILE MD 1.800 . 6.000 4.107 3.515 4.769 . 0 0 "[ . 1 . 2]" 6
73 1 106 ALA MB 1 139 ILE MD 1.800 . 3.700 2.457 1.986 2.846 . 0 0 "[ . 1 . 2]" 6
74 1 139 ILE HA 1 139 ILE MG 1.800 . 3.200 2.346 2.299 2.427 . 0 0 "[ . 1 . 2]" 6
75 1 106 ALA MB 1 107 PRO HA 1.800 . 5.000 4.322 4.289 4.387 . 0 0 "[ . 1 . 2]" 6
76 1 48 GLY QA 1 106 ALA MB 1.800 . 3.200 2.381 1.874 3.244 0.044 12 0 "[ . 1 . 2]" 6
77 1 108 LYS HA 1 139 ILE MG 1.800 . 5.500 3.747 2.976 4.554 . 0 0 "[ . 1 . 2]" 6
78 1 47 GLU HA 1 108 LYS HA 1.800 . 3.300 2.860 2.288 3.410 0.110 12 0 "[ . 1 . 2]" 6
79 1 113 ARG HA 1 139 ILE MG 1.800 . 3.800 2.401 2.022 2.867 . 0 0 "[ . 1 . 2]" 6
80 1 114 GLY QA 1 138 THR MG 1.800 . 5.500 3.519 3.234 3.949 . 0 0 "[ . 1 . 2]" 6
81 1 115 SER HA 1 139 ILE QG 1.800 . 6.000 4.306 4.061 4.561 . 0 0 "[ . 1 . 2]" 6
82 1 111 LEU MD1 1 112 ALA HA 1.800 . 5.500 4.597 2.863 5.537 0.037 1 0 "[ . 1 . 2]" 6
83 1 111 LEU MD2 1 112 ALA HA 1.800 . 5.500 4.473 3.089 5.793 0.293 16 0 "[ . 1 . 2]" 6
84 1 68 LYS HG3 1 86 MET HA 1.800 . 5.000 3.180 2.008 5.007 0.007 11 0 "[ . 1 . 2]" 6
85 1 68 LYS HG2 1 86 MET HA 1.800 . 5.000 3.479 1.991 4.913 . 0 0 "[ . 1 . 2]" 6
86 1 68 LYS HG3 1 69 TYR H 1.800 . 5.000 3.675 1.997 4.782 . 0 0 "[ . 1 . 2]" 6
87 1 68 LYS HG2 1 69 TYR H 1.800 . 5.000 3.305 1.997 4.844 . 0 0 "[ . 1 . 2]" 6
88 1 31 LEU HA 1 131 LEU MD2 1.800 . 5.500 4.288 3.551 5.245 . 0 0 "[ . 1 . 2]" 6
89 1 31 LEU HA 1 38 PHE HZ 1.800 . 5.000 3.212 2.030 4.415 . 0 0 "[ . 1 . 2]" 6
90 1 31 LEU HA 1 38 PHE QE 1.800 . 5.000 3.777 3.140 4.237 . 0 0 "[ . 1 . 2]" 6
91 1 12 VAL MG1 1 31 LEU HA 1.800 . 5.500 5.545 5.505 5.585 0.085 12 0 "[ . 1 . 2]" 6
92 1 36 GLU HA 1 39 LYS QE 1.800 . 3.300 3.136 2.636 3.317 0.017 13 0 "[ . 1 . 2]" 6
93 1 36 GLU HA 1 39 LYS QD 1.800 . 5.000 4.367 2.486 4.992 . 0 0 "[ . 1 . 2]" 6
94 1 36 GLU HA 1 39 LYS QB 1.800 . 5.000 4.294 3.537 4.775 . 0 0 "[ . 1 . 2]" 6
95 1 36 GLU HA 1 39 LYS QG 1.800 . 3.300 3.078 2.658 3.322 0.022 4 0 "[ . 1 . 2]" 6
96 1 37 SER HA 1 40 LYS QG 1.800 . 5.000 4.214 2.175 5.020 0.020 7 0 "[ . 1 . 2]" 6
97 1 37 SER HA 1 40 LYS HB3 1.800 . 5.000 3.899 2.730 5.021 0.021 1 0 "[ . 1 . 2]" 6
98 1 37 SER HA 1 40 LYS HB2 1.800 . 5.000 3.448 2.542 5.033 0.033 4 0 "[ . 1 . 2]" 6
99 1 112 ALA MB 1 116 TYR QE 1.800 . 5.500 4.062 3.417 4.640 . 0 0 "[ . 1 . 2]" 6
100 1 108 LYS H 1 112 ALA MB 1.800 . 3.400 3.298 2.039 3.559 0.159 14 0 "[ . 1 . 2]" 6
101 1 109 GLY H 1 112 ALA MB 1.800 . 5.500 3.493 2.907 4.480 . 0 0 "[ . 1 . 2]" 6
102 1 112 ALA MB 1 113 ARG H 1.800 . 4.000 3.062 2.678 3.577 . 0 0 "[ . 1 . 2]" 6
stop_
save_
save_distance_constraint_statistics_7
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 7
_Distance_constraint_stats_list.Constraint_count 53
_Distance_constraint_stats_list.Viol_count 114
_Distance_constraint_stats_list.Viol_total 122.636
_Distance_constraint_stats_list.Viol_max 0.222
_Distance_constraint_stats_list.Viol_rms 0.0260
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0058
_Distance_constraint_stats_list.Viol_average_violations_only 0.0538
_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 11 VAL 0.214 0.041 7 0 "[ . 1 . 2]"
1 12 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 THR 0.264 0.095 18 0 "[ . 1 . 2]"
1 18 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 ALA 0.364 0.062 1 0 "[ . 1 . 2]"
1 27 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 GLU 0.028 0.028 18 0 "[ . 1 . 2]"
1 29 LEU 0.236 0.095 18 0 "[ . 1 . 2]"
1 43 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 LEU 0.012 0.012 10 0 "[ . 1 . 2]"
1 47 GLU 0.515 0.189 20 0 "[ . 1 . 2]"
1 48 GLY 0.133 0.038 7 0 "[ . 1 . 2]"
1 50 GLU 0.191 0.046 18 0 "[ . 1 . 2]"
1 51 TYR 0.006 0.006 3 0 "[ . 1 . 2]"
1 52 ARG 0.500 0.108 20 0 "[ . 1 . 2]"
1 53 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 GLY 0.009 0.005 12 0 "[ . 1 . 2]"
1 67 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 100 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 102 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 103 MET 0.583 0.108 20 0 "[ . 1 . 2]"
1 104 GLU 0.089 0.041 20 0 "[ . 1 . 2]"
1 105 GLU 0.082 0.035 7 0 "[ . 1 . 2]"
1 108 LYS 0.761 0.189 20 0 "[ . 1 . 2]"
1 112 ALA 0.166 0.075 6 0 "[ . 1 . 2]"
1 115 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 121 ARG 0.048 0.014 1 0 "[ . 1 . 2]"
1 123 THR 0.020 0.011 14 0 "[ . 1 . 2]"
1 124 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 125 ASP 3.615 0.222 4 0 "[ . 1 . 2]"
1 128 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 129 ASP 0.068 0.014 1 0 "[ . 1 . 2]"
1 130 HIS 0.214 0.041 7 0 "[ . 1 . 2]"
1 144 LYS 0.364 0.062 1 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 11 VAL HA 1 12 VAL HA 1.800 . 5.000 4.540 4.464 4.849 . 0 0 "[ . 1 . 2]" 7
2 1 16 LEU MD2 1 17 THR HA 1.800 . 5.500 3.337 2.855 3.944 . 0 0 "[ . 1 . 2]" 7
3 1 19 VAL HA 1 19 VAL MG2 1.800 . 3.200 2.357 2.269 2.424 . 0 0 "[ . 1 . 2]" 7
4 1 19 VAL HA 1 20 CYS QB 1.800 . 5.000 3.919 3.703 4.383 . 0 0 "[ . 1 . 2]" 7
5 1 20 CYS HA 1 20 CYS QB 1.800 . 2.700 2.453 2.351 2.527 . 0 0 "[ . 1 . 2]" 7
6 1 19 VAL HA 1 23 ALA MB 1.800 . 5.500 4.267 2.601 5.401 . 0 0 "[ . 1 . 2]" 7
7 1 20 CYS HA 1 23 ALA MB 1.800 . 5.500 4.367 4.103 5.019 . 0 0 "[ . 1 . 2]" 7
8 1 17 THR HA 1 28 GLU HG3 1.800 . 5.000 3.747 2.600 5.028 0.028 18 0 "[ . 1 . 2]" 7
9 1 17 THR HA 1 28 GLU HG2 1.800 . 5.000 3.703 2.547 4.898 . 0 0 "[ . 1 . 2]" 7
10 1 17 THR HA 1 29 LEU QB 1.800 . 5.000 4.893 4.425 5.095 0.095 18 0 "[ . 1 . 2]" 7
11 1 27 LEU HA 1 43 PHE QE 1.800 . 5.000 4.167 3.419 4.540 . 0 0 "[ . 1 . 2]" 7
12 1 100 LEU HA 1 100 LEU MD1 1.800 . 3.800 3.446 2.640 3.707 . 0 0 "[ . 1 . 2]" 7
13 1 123 THR HA 1 123 THR HB 1.800 . 2.700 2.457 2.417 2.537 . 0 0 "[ . 1 . 2]" 7
14 1 67 MET QG 1 124 ASP HA 1.800 . 5.000 3.803 3.197 4.514 . 0 0 "[ . 1 . 2]" 7
15 1 123 THR HA 1 124 ASP QB 1.800 . 5.000 4.188 3.960 4.423 . 0 0 "[ . 1 . 2]" 7
16 1 66 GLY QA 1 125 ASP HA 1.800 . 5.000 4.028 3.315 4.752 . 0 0 "[ . 1 . 2]" 7
17 1 125 ASP HA 1 125 ASP HB3 1.800 . 2.700 2.699 2.391 2.922 0.222 4 0 "[ . 1 . 2]" 7
18 1 125 ASP HA 1 125 ASP HB2 1.800 . 2.700 2.722 2.468 2.901 0.201 3 0 "[ . 1 . 2]" 7
19 1 128 THR HA 1 128 THR HB 1.800 . 2.700 2.469 2.459 2.487 . 0 0 "[ . 1 . 2]" 7
20 1 121 ARG QD 1 129 ASP HA 1.800 . 5.000 4.657 3.898 5.014 0.014 1 0 "[ . 1 . 2]" 7
21 1 123 THR HB 1 129 ASP HA 1.800 . 3.300 2.622 1.993 3.311 0.011 14 0 "[ . 1 . 2]" 7
22 1 123 THR MG 1 129 ASP HA 1.800 . 5.500 3.577 1.919 4.837 . 0 0 "[ . 1 . 2]" 7
23 1 128 THR HA 1 129 ASP QB 1.800 . 5.000 4.352 3.975 4.855 . 0 0 "[ . 1 . 2]" 7
24 1 11 VAL HB 1 130 HIS HA 1.800 . 5.000 4.911 4.285 5.041 0.041 7 0 "[ . 1 . 2]" 7
25 1 123 THR HA 1 130 HIS QB 1.800 . 5.000 2.720 1.972 4.121 . 0 0 "[ . 1 . 2]" 7
26 1 23 ALA HA 1 144 LYS QB 1.800 . 3.300 3.277 2.953 3.362 0.062 1 0 "[ . 1 . 2]" 7
27 1 50 GLU HA 1 50 GLU QG 1.800 . 3.300 2.515 1.997 3.346 0.046 18 0 "[ . 1 . 2]" 7
28 1 20 CYS QB 1 51 TYR HA 1.800 . 5.000 3.663 2.554 4.415 . 0 0 "[ . 1 . 2]" 7
29 1 50 GLU HA 1 51 TYR QD 1.800 . 5.000 3.977 3.127 4.391 . 0 0 "[ . 1 . 2]" 7
30 1 51 TYR QD 1 52 ARG HA 1.800 . 5.000 3.830 3.261 5.006 0.006 3 0 "[ . 1 . 2]" 7
31 1 18 LEU HG 1 53 ILE HA 1.800 . 5.000 3.541 2.653 4.678 . 0 0 "[ . 1 . 2]" 7
32 1 53 ILE HA 1 53 ILE QG 1.800 . 3.300 2.476 2.416 2.888 . 0 0 "[ . 1 . 2]" 7
33 1 53 ILE HA 1 53 ILE MG 1.800 . 3.800 2.359 2.285 2.428 . 0 0 "[ . 1 . 2]" 7
34 1 52 ARG QD 1 103 MET HA 1.800 . 5.000 4.563 3.951 5.016 0.016 12 0 "[ . 1 . 2]" 7
35 1 52 ARG QG 1 103 MET HA 1.800 . 3.300 2.746 1.932 3.408 0.108 20 0 "[ . 1 . 2]" 7
36 1 102 PRO HA 1 103 MET HA 1.800 . 5.000 4.398 4.377 4.427 . 0 0 "[ . 1 . 2]" 7
37 1 103 MET QG 1 104 GLU HA 1.800 . 5.000 4.330 3.841 5.041 0.041 20 0 "[ . 1 . 2]" 7
38 1 50 GLU HA 1 105 GLU HB3 1.800 . 5.000 4.039 3.060 5.013 0.013 6 0 "[ . 1 . 2]" 7
39 1 50 GLU HA 1 105 GLU HB2 1.800 . 5.000 4.351 3.122 4.995 . 0 0 "[ . 1 . 2]" 7
40 1 48 GLY HA3 1 108 LYS QE 1.800 . 5.000 3.424 1.986 4.913 . 0 0 "[ . 1 . 2]" 7
41 1 48 GLY HA2 1 108 LYS QE 1.800 . 5.000 4.569 3.433 5.038 0.038 7 0 "[ . 1 . 2]" 7
42 1 48 GLY HA3 1 105 GLU QG 1.800 . 6.000 4.861 2.720 6.035 0.035 7 0 "[ . 1 . 2]" 7
43 1 48 GLY HA2 1 105 GLU QG 1.800 . 6.000 4.818 3.333 5.805 . 0 0 "[ . 1 . 2]" 7
44 1 47 GLU QB 1 108 LYS HA 1.800 . 5.000 2.746 1.890 3.410 . 0 0 "[ . 1 . 2]" 7
45 1 47 GLU QG 1 108 LYS HA 1.800 . 3.300 3.238 2.166 3.489 0.189 20 0 "[ . 1 . 2]" 7
46 1 108 LYS HA 1 112 ALA MB 1.800 . 3.800 3.003 2.283 3.875 0.075 6 0 "[ . 1 . 2]" 7
47 1 115 SER HA 1 115 SER HB3 1.800 . 2.700 2.377 2.327 2.499 . 0 0 "[ . 1 . 2]" 7
48 1 115 SER HA 1 115 SER HB2 1.800 . 2.700 2.583 2.445 2.652 . 0 0 "[ . 1 . 2]" 7
49 1 45 LEU HA 1 45 LEU MD2 1.800 . 3.200 2.175 1.934 3.212 0.012 10 0 "[ . 1 . 2]" 7
50 1 66 GLY HA3 1 125 ASP HB3 1.800 . 6.000 3.309 1.996 4.623 . 0 0 "[ . 1 . 2]" 7
51 1 66 GLY HA3 1 125 ASP HB2 1.800 . 6.000 3.065 1.992 4.294 . 0 0 "[ . 1 . 2]" 7
52 1 66 GLY HA2 1 125 ASP HB3 1.800 . 6.000 4.788 3.237 6.005 0.005 12 0 "[ . 1 . 2]" 7
53 1 66 GLY HA2 1 125 ASP HB2 1.800 . 6.000 4.569 3.239 5.905 . 0 0 "[ . 1 . 2]" 7
stop_
save_
save_distance_constraint_statistics_8
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 8
_Distance_constraint_stats_list.Constraint_count 58
_Distance_constraint_stats_list.Viol_count 113
_Distance_constraint_stats_list.Viol_total 134.783
_Distance_constraint_stats_list.Viol_max 0.247
_Distance_constraint_stats_list.Viol_rms 0.0278
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0058
_Distance_constraint_stats_list.Viol_average_violations_only 0.0596
_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 5 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 VAL 0.082 0.040 5 0 "[ . 1 . 2]"
1 13 VAL 0.047 0.042 10 0 "[ . 1 . 2]"
1 15 ARG 0.026 0.015 6 0 "[ . 1 . 2]"
1 17 THR 0.065 0.018 20 0 "[ . 1 . 2]"
1 18 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 CYS 0.018 0.018 3 0 "[ . 1 . 2]"
1 22 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 GLU 0.065 0.018 20 0 "[ . 1 . 2]"
1 30 ASP 0.026 0.015 6 0 "[ . 1 . 2]"
1 42 SER 0.279 0.247 14 0 "[ . 1 . 2]"
1 44 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 LYS 0.191 0.043 2 0 "[ . 1 . 2]"
1 50 GLU 0.184 0.087 3 0 "[ . 1 . 2]"
1 51 TYR 0.018 0.018 3 0 "[ . 1 . 2]"
1 52 ARG 0.021 0.007 18 0 "[ . 1 . 2]"
1 53 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 PHE 0.047 0.042 10 0 "[ . 1 . 2]"
1 58 ARG 0.499 0.214 6 0 "[ . 1 . 2]"
1 59 VAL 0.082 0.040 5 0 "[ . 1 . 2]"
1 60 ASN 3.268 0.215 12 0 "[ . 1 . 2]"
1 62 GLU 0.215 0.061 1 0 "[ . 1 . 2]"
1 63 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 SER 1.222 0.163 15 0 "[ . 1 . 2]"
1 67 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 LYS 0.014 0.014 12 0 "[ . 1 . 2]"
1 69 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 TYR 0.018 0.018 17 0 "[ . 1 . 2]"
1 75 ARG 0.167 0.088 4 0 "[ . 1 . 2]"
1 79 LYS 0.018 0.018 17 0 "[ . 1 . 2]"
1 82 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 MET 0.014 0.014 12 0 "[ . 1 . 2]"
1 87 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 SER 0.670 0.163 15 0 "[ . 1 . 2]"
1 91 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 PRO 0.215 0.061 1 0 "[ . 1 . 2]"
1 96 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 98 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 99 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 100 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 103 MET 0.021 0.007 18 0 "[ . 1 . 2]"
1 105 GLU 0.184 0.087 3 0 "[ . 1 . 2]"
1 106 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 107 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 110 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 113 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 115 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 116 TYR 0.167 0.088 4 0 "[ . 1 . 2]"
1 117 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 119 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 121 ARG 0.035 0.014 14 0 "[ . 1 . 2]"
1 122 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 123 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 124 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 126 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 127 ARG 0.389 0.179 16 0 "[ . 1 . 2]"
1 129 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 132 SER 0.035 0.014 14 0 "[ . 1 . 2]"
1 134 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 136 ASN 0.032 0.017 14 0 "[ . 1 . 2]"
1 138 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 142 GLU 0.191 0.043 2 0 "[ . 1 . 2]"
1 143 TRP 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 5 ASP HA 1 5 ASP QB 1.800 . 2.700 2.397 2.194 2.548 . 0 0 "[ . 1 . 2]" 8
2 1 5 ASP QB 1 6 PRO QD 1.800 . 5.000 3.236 1.955 3.880 . 0 0 "[ . 1 . 2]" 8
3 1 5 ASP HA 1 6 PRO QD 1.800 . 2.700 2.130 1.999 2.421 . 0 0 "[ . 1 . 2]" 8
4 1 22 THR HA 1 22 THR HB 1.800 . 2.700 2.569 2.496 2.612 . 0 0 "[ . 1 . 2]" 8
5 1 25 GLY QA 1 26 PRO QD 1.800 . 2.700 2.085 2.050 2.100 . 0 0 "[ . 1 . 2]" 8
6 1 17 THR HA 1 28 GLU HA 1.800 . 2.700 2.460 1.933 2.718 0.018 20 0 "[ . 1 . 2]" 8
7 1 15 ARG HA 1 30 ASP HA 1.800 . 3.300 3.092 2.621 3.315 0.015 6 0 "[ . 1 . 2]" 8
8 1 42 SER HA 1 42 SER HB3 1.800 . 2.700 2.410 2.285 2.560 . 0 0 "[ . 1 . 2]" 8
9 1 42 SER HA 1 42 SER HB2 1.800 . 2.700 2.565 2.403 2.947 0.247 14 0 "[ . 1 . 2]" 8
10 1 46 LYS HA 1 46 LYS QE 1.800 . 5.000 4.501 2.156 4.961 . 0 0 "[ . 1 . 2]" 8
11 1 20 CYS HA 1 51 TYR HA 1.800 . 3.300 2.667 1.993 3.318 0.018 3 0 "[ . 1 . 2]" 8
12 1 18 LEU HA 1 53 ILE HA 1.800 . 3.300 2.670 2.385 3.019 . 0 0 "[ . 1 . 2]" 8
13 1 13 VAL HA 1 57 PHE HA 1.800 . 3.300 3.118 2.802 3.342 0.042 10 0 "[ . 1 . 2]" 8
14 1 58 ARG HA 1 58 ARG QD 1.800 . 3.300 3.180 2.580 3.514 0.214 6 0 "[ . 1 . 2]" 8
15 1 11 VAL HA 1 59 VAL HA 1.800 . 3.300 3.132 2.709 3.340 0.040 5 0 "[ . 1 . 2]" 8
16 1 60 ASN HA 1 60 ASN HB3 1.800 . 2.700 2.698 2.452 2.915 0.215 12 0 "[ . 1 . 2]" 8
17 1 60 ASN HA 1 60 ASN HB2 1.800 . 2.700 2.680 2.475 2.909 0.209 5 0 "[ . 1 . 2]" 8
18 1 65 SER HA 1 65 SER HB3 1.800 . 2.700 2.495 2.370 2.827 0.127 18 0 "[ . 1 . 2]" 8
19 1 65 SER HA 1 65 SER HB2 1.800 . 2.700 2.527 2.411 2.860 0.160 19 0 "[ . 1 . 2]" 8
20 1 74 TYR HA 1 79 LYS HA 1.800 . 2.700 2.173 1.966 2.718 0.018 17 0 "[ . 1 . 2]" 8
21 1 72 HIS HA 1 82 LYS HA 1.800 . 2.700 2.079 1.961 2.284 . 0 0 "[ . 1 . 2]" 8
22 1 70 ILE HA 1 84 ASP HA 1.800 . 2.700 2.087 1.981 2.479 . 0 0 "[ . 1 . 2]" 8
23 1 68 LYS HA 1 86 MET HA 1.800 . 3.300 2.566 2.024 3.314 0.014 12 0 "[ . 1 . 2]" 8
24 1 65 SER HA 1 89 SER HA 1.800 . 2.700 2.215 1.975 2.675 . 0 0 "[ . 1 . 2]" 8
25 1 65 SER HA 1 89 SER HB3 1.800 . 3.300 2.414 1.979 3.463 0.163 15 0 "[ . 1 . 2]" 8
26 1 65 SER HA 1 89 SER HB2 1.800 . 3.300 2.380 1.986 3.458 0.158 8 0 "[ . 1 . 2]" 8
27 1 63 ILE HA 1 91 GLY QA 1.800 . 3.300 2.045 1.948 2.551 . 0 0 "[ . 1 . 2]" 8
28 1 62 GLU HA 1 92 PRO QD 1.800 . 3.300 3.239 2.994 3.361 0.061 1 0 "[ . 1 . 2]" 8
29 1 63 ILE HA 1 92 PRO QD 1.800 . 3.300 2.248 1.966 3.010 . 0 0 "[ . 1 . 2]" 8
30 1 91 GLY QA 1 92 PRO QD 1.800 . 5.000 2.059 2.024 2.107 . 0 0 "[ . 1 . 2]" 8
31 1 58 ARG HA 1 96 GLU HA 1.800 . 3.300 1.992 1.920 2.234 . 0 0 "[ . 1 . 2]" 8
32 1 56 SER HA 1 98 GLU HA 1.800 . 3.300 2.517 2.062 2.838 . 0 0 "[ . 1 . 2]" 8
33 1 54 LYS HA 1 100 LEU HA 1.800 . 3.300 2.344 1.976 2.776 . 0 0 "[ . 1 . 2]" 8
34 1 52 ARG HA 1 103 MET HA 1.800 . 3.300 2.626 1.995 3.307 0.007 18 0 "[ . 1 . 2]" 8
35 1 50 GLU HA 1 105 GLU HA 1.800 . 2.700 2.433 1.995 2.787 0.087 3 0 "[ . 1 . 2]" 8
36 1 106 ALA HA 1 107 PRO HD3 1.800 . 3.300 2.493 2.327 2.649 . 0 0 "[ . 1 . 2]" 8
37 1 106 ALA HA 1 107 PRO HD2 1.800 . 3.300 2.846 2.627 3.046 . 0 0 "[ . 1 . 2]" 8
38 1 110 MET HA 1 110 MET QG 1.800 . 5.000 2.334 2.048 3.371 . 0 0 "[ . 1 . 2]" 8
39 1 113 ARG HA 1 113 ARG QD 1.800 . 5.000 3.968 3.624 4.150 . 0 0 "[ . 1 . 2]" 8
40 1 75 ARG HA 1 116 TYR HA 1.800 . 3.300 3.098 2.149 3.388 0.088 4 0 "[ . 1 . 2]" 8
41 1 69 TYR HA 1 122 PHE HA 1.800 . 3.300 2.631 1.980 3.133 . 0 0 "[ . 1 . 2]" 8
42 1 67 MET HA 1 124 ASP HA 1.800 . 2.700 2.110 1.948 2.559 . 0 0 "[ . 1 . 2]" 8
43 1 67 MET HA 1 124 ASP HB3 1.800 . 5.000 3.455 2.713 4.046 . 0 0 "[ . 1 . 2]" 8
44 1 67 MET HA 1 124 ASP HB2 1.800 . 5.000 3.626 3.012 4.255 . 0 0 "[ . 1 . 2]" 8
45 1 126 ASP HA 1 126 ASP QB 1.800 . 2.700 2.448 2.195 2.553 . 0 0 "[ . 1 . 2]" 8
46 1 127 ARG HA 1 127 ARG QD 1.800 . 3.300 2.642 1.962 3.479 0.179 16 0 "[ . 1 . 2]" 8
47 1 123 THR HA 1 129 ASP HA 1.800 . 5.000 3.193 1.987 4.410 . 0 0 "[ . 1 . 2]" 8
48 1 121 ARG HA 1 132 SER HA 1.800 . 2.700 2.501 2.125 2.714 0.014 14 0 "[ . 1 . 2]" 8
49 1 121 ARG HA 1 132 SER QB 1.800 . 5.000 2.310 1.925 3.119 . 0 0 "[ . 1 . 2]" 8
50 1 119 LYS HA 1 134 GLU HA 1.800 . 3.300 2.825 2.359 3.157 . 0 0 "[ . 1 . 2]" 8
51 1 42 SER HA 1 136 ASN QB 1.800 . 3.300 3.055 2.459 3.317 0.017 14 0 "[ . 1 . 2]" 8
52 1 117 ASN HA 1 136 ASN HA 1.800 . 3.300 2.093 1.978 2.437 . 0 0 "[ . 1 . 2]" 8
53 1 44 VAL HA 1 138 THR HB 1.800 . 2.700 2.153 1.990 2.468 . 0 0 "[ . 1 . 2]" 8
54 1 115 SER HA 1 138 THR HA 1.800 . 2.700 1.981 1.958 2.001 . 0 0 "[ . 1 . 2]" 8
55 1 46 LYS HA 1 142 GLU HA 1.800 . 5.000 4.859 4.240 5.043 0.043 2 0 "[ . 1 . 2]" 8
56 1 143 TRP HA 1 143 TRP QB 1.800 . 2.700 2.191 2.185 2.195 . 0 0 "[ . 1 . 2]" 8
57 1 87 VAL HA 1 99 PHE QD 1.800 . 5.000 3.238 2.720 4.143 . 0 0 "[ . 1 . 2]" 8
58 1 87 VAL HA 1 99 PHE QE 1.800 . 5.000 2.743 2.301 2.989 . 0 0 "[ . 1 . 2]" 8
stop_
save_
save_distance_constraint_statistics_9
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 9
_Distance_constraint_stats_list.Constraint_count 137
_Distance_constraint_stats_list.Viol_count 214
_Distance_constraint_stats_list.Viol_total 113.469
_Distance_constraint_stats_list.Viol_max 0.186
_Distance_constraint_stats_list.Viol_rms 0.0103
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0021
_Distance_constraint_stats_list.Viol_average_violations_only 0.0265
_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 10 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 VAL 0.575 0.186 16 0 "[ . 1 . 2]"
1 12 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 VAL 0.550 0.091 18 0 "[ . 1 . 2]"
1 14 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 LEU 0.649 0.096 17 0 "[ . 1 . 2]"
1 17 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 LEU 0.963 0.096 17 0 "[ . 1 . 2]"
1 30 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 LEU 0.445 0.059 20 0 "[ . 1 . 2]"
1 38 PHE 0.374 0.079 1 0 "[ . 1 . 2]"
1 43 PHE 0.223 0.042 20 0 "[ . 1 . 2]"
1 45 LEU 1.139 0.129 6 0 "[ . 1 . 2]"
1 46 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 VAL 1.091 0.129 6 0 "[ . 1 . 2]"
1 51 TYR 0.049 0.049 3 0 "[ . 1 . 2]"
1 53 ILE 0.017 0.011 17 0 "[ . 1 . 2]"
1 55 ILE 0.192 0.032 18 0 "[ . 1 . 2]"
1 57 PHE 0.204 0.091 18 0 "[ . 1 . 2]"
1 59 VAL 0.575 0.186 16 0 "[ . 1 . 2]"
1 60 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 LYS 0.013 0.007 8 0 "[ . 1 . 2]"
1 69 TYR 0.689 0.086 3 0 "[ . 1 . 2]"
1 70 ILE 0.573 0.086 3 0 "[ . 1 . 2]"
1 71 GLN 0.348 0.048 8 0 "[ . 1 . 2]"
1 72 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 THR 0.376 0.043 16 0 "[ . 1 . 2]"
1 84 ASP 0.021 0.019 5 0 "[ . 1 . 2]"
1 86 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 99 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 100 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 106 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 107 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 116 TYR 0.252 0.047 9 0 "[ . 1 . 2]"
1 117 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 118 ILE 1.380 0.048 8 0 "[ . 1 . 2]"
1 119 LYS 0.037 0.024 13 0 "[ . 1 . 2]"
1 121 ARG 0.030 0.029 9 0 "[ . 1 . 2]"
1 122 PHE 0.071 0.029 1 0 "[ . 1 . 2]"
1 130 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 131 LEU 0.039 0.023 9 0 "[ . 1 . 2]"
1 133 TRP 0.051 0.022 19 0 "[ . 1 . 2]"
1 134 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 135 TRP 0.247 0.047 12 0 "[ . 1 . 2]"
1 136 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 137 LEU 0.137 0.025 13 0 "[ . 1 . 2]"
1 139 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 140 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 143 TRP 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 10 ASN QD 1 11 VAL QG 1.800 . 3.200 2.362 1.803 2.964 . 0 0 "[ . 1 . 2]" 9
2 1 11 VAL HA 1 11 VAL QG 1.800 . 3.200 2.047 2.010 2.101 . 0 0 "[ . 1 . 2]" 9
3 1 11 VAL H 1 11 VAL QG 1.800 . 5.500 2.738 2.566 2.912 . 0 0 "[ . 1 . 2]" 9
4 1 11 VAL QG 1 12 VAL HA 1.800 . 5.500 3.676 3.444 4.320 . 0 0 "[ . 1 . 2]" 9
5 1 11 VAL QG 1 12 VAL H 1.800 . 4.000 2.905 2.253 3.735 . 0 0 "[ . 1 . 2]" 9
6 1 12 VAL HA 1 13 VAL QG 1.800 . 3.800 3.506 3.418 3.609 . 0 0 "[ . 1 . 2]" 9
7 1 13 VAL HA 1 13 VAL QG 1.800 . 3.200 2.101 2.045 2.169 . 0 0 "[ . 1 . 2]" 9
8 1 13 VAL H 1 13 VAL MG2 1.800 . 5.500 2.018 1.940 2.120 . 0 0 "[ . 1 . 2]" 9
9 1 13 VAL MG2 1 14 THR H 1.800 . 6.500 4.227 4.054 4.354 . 0 0 "[ . 1 . 2]" 9
10 1 13 VAL MG1 1 15 ARG H 1.800 . 4.000 3.180 2.631 3.822 . 0 0 "[ . 1 . 2]" 9
11 1 16 LEU HA 1 16 LEU MD1 1.800 . 3.800 3.545 3.422 3.687 . 0 0 "[ . 1 . 2]" 9
12 1 16 LEU H 1 16 LEU MD2 1.800 . 5.500 4.082 3.806 4.392 . 0 0 "[ . 1 . 2]" 9
13 1 16 LEU MD2 1 17 THR H 1.800 . 5.500 2.612 2.035 3.280 . 0 0 "[ . 1 . 2]" 9
14 1 16 LEU MD2 1 28 GLU HA 1.800 . 5.500 4.195 2.719 5.241 . 0 0 "[ . 1 . 2]" 9
15 1 16 LEU MD1 1 29 LEU QB 1.800 . 3.200 3.227 3.203 3.296 0.096 17 0 "[ . 1 . 2]" 9
16 1 16 LEU MD1 1 29 LEU MD1 1.800 . 4.300 2.885 2.511 3.230 . 0 0 "[ . 1 . 2]" 9
17 1 29 LEU HA 1 29 LEU MD2 1.800 . 3.200 2.219 1.952 2.983 . 0 0 "[ . 1 . 2]" 9
18 1 29 LEU HA 1 29 LEU MD1 1.800 . 5.500 3.697 3.541 3.736 . 0 0 "[ . 1 . 2]" 9
19 1 29 LEU MD1 1 30 ASP H 1.800 . 6.500 4.704 4.246 5.118 . 0 0 "[ . 1 . 2]" 9
20 1 13 VAL HB 1 31 LEU MD1 1.800 . 5.500 3.416 2.407 4.099 . 0 0 "[ . 1 . 2]" 9
21 1 13 VAL MG1 1 31 LEU MD1 1.800 . 3.700 1.832 1.741 2.215 0.059 20 0 "[ . 1 . 2]" 9
22 1 15 ARG HA 1 31 LEU MD1 1.800 . 5.500 2.684 2.168 3.395 . 0 0 "[ . 1 . 2]" 9
23 1 16 LEU MD2 1 31 LEU MD1 1.800 . 6.000 4.071 3.764 4.599 . 0 0 "[ . 1 . 2]" 9
24 1 16 LEU H 1 31 LEU MD1 1.800 . 5.500 3.046 2.625 3.617 . 0 0 "[ . 1 . 2]" 9
25 1 29 LEU MD1 1 31 LEU MD1 1.800 . 6.000 3.483 2.843 3.892 . 0 0 "[ . 1 . 2]" 9
26 1 31 LEU HA 1 31 LEU MD1 1.800 . 3.800 3.667 3.449 3.818 0.018 20 0 "[ . 1 . 2]" 9
27 1 31 LEU H 1 31 LEU MD1 1.800 . 4.000 3.444 2.781 4.014 0.014 1 0 "[ . 1 . 2]" 9
28 1 29 LEU MD1 1 38 PHE QB 1.800 . 5.500 4.166 3.293 5.023 . 0 0 "[ . 1 . 2]" 9
29 1 29 LEU MD1 1 38 PHE QD 1.800 . 3.800 3.493 2.601 3.879 0.079 1 0 "[ . 1 . 2]" 9
30 1 29 LEU MD2 1 38 PHE QE 1.800 . 3.800 2.243 1.869 2.598 . 0 0 "[ . 1 . 2]" 9
31 1 29 LEU MD2 1 38 PHE HZ 1.800 . 5.500 2.894 2.114 3.803 . 0 0 "[ . 1 . 2]" 9
32 1 31 LEU MD2 1 38 PHE HZ 1.800 . 3.800 3.008 2.032 3.855 0.055 20 0 "[ . 1 . 2]" 9
33 1 16 LEU MD2 1 43 PHE QD 1.800 . 5.500 4.740 4.278 5.097 . 0 0 "[ . 1 . 2]" 9
34 1 16 LEU MD2 1 43 PHE HE2 1.800 . 3.800 3.717 3.411 3.831 0.031 17 0 "[ . 1 . 2]" 9
35 1 29 LEU MD1 1 43 PHE QD 1.800 . 5.500 3.458 2.996 3.878 . 0 0 "[ . 1 . 2]" 9
36 1 29 LEU MD1 1 43 PHE QE 1.800 . 5.500 2.169 1.853 2.931 . 0 0 "[ . 1 . 2]" 9
37 1 29 LEU MD2 1 43 PHE HZ 1.800 . 3.800 3.498 2.444 3.842 0.042 20 0 "[ . 1 . 2]" 9
38 1 45 LEU HA 1 45 LEU MD1 1.800 . 5.500 3.624 2.011 3.865 . 0 0 "[ . 1 . 2]" 9
39 1 45 LEU MD1 1 46 LYS H 1.800 . 5.500 4.055 2.073 4.942 . 0 0 "[ . 1 . 2]" 9
40 1 45 LEU MD1 1 49 VAL MG1 1.800 . 4.300 4.354 4.288 4.429 0.129 6 0 "[ . 1 . 2]" 9
41 1 45 LEU MD1 1 49 VAL H 1.800 . 5.500 4.520 4.094 5.139 . 0 0 "[ . 1 . 2]" 9
42 1 45 LEU MD1 1 51 TYR QD 1.800 . 3.800 3.122 2.389 3.776 . 0 0 "[ . 1 . 2]" 9
43 1 45 LEU MD1 1 51 TYR QE 1.800 . 5.500 3.139 2.372 3.826 . 0 0 "[ . 1 . 2]" 9
44 1 16 LEU HA 1 55 ILE MD 1.800 . 3.800 2.884 2.540 3.108 . 0 0 "[ . 1 . 2]" 9
45 1 16 LEU MD2 1 55 ILE MD 1.800 . 4.300 3.060 2.376 3.464 . 0 0 "[ . 1 . 2]" 9
46 1 55 ILE HA 1 55 ILE MD 1.800 . 3.800 1.990 1.937 2.049 . 0 0 "[ . 1 . 2]" 9
47 1 11 VAL QG 1 57 PHE QD 1.800 . 3.800 2.826 2.174 3.740 . 0 0 "[ . 1 . 2]" 9
48 1 13 VAL MG2 1 57 PHE HA 1.800 . 6.500 4.910 4.678 5.150 . 0 0 "[ . 1 . 2]" 9
49 1 13 VAL MG2 1 57 PHE QB 1.800 . 3.800 3.365 3.038 3.800 0.000 17 0 "[ . 1 . 2]" 9
50 1 13 VAL MG1 1 57 PHE QB 1.800 . 3.800 3.667 3.090 3.891 0.091 18 0 "[ . 1 . 2]" 9
51 1 13 VAL MG2 1 57 PHE QD 1.800 . 5.500 4.447 3.398 5.464 . 0 0 "[ . 1 . 2]" 9
52 1 11 VAL QG 1 59 VAL QG 1.800 . 6.000 2.004 1.614 2.487 0.186 16 0 "[ . 1 . 2]" 9
53 1 11 VAL QG 1 60 ASN H 1.800 . 5.500 3.978 3.430 4.589 . 0 0 "[ . 1 . 2]" 9
54 1 11 VAL QG 1 64 VAL HB 1.800 . 5.500 2.979 2.360 3.506 . 0 0 "[ . 1 . 2]" 9
55 1 16 LEU MD1 1 69 TYR QE 1.800 . 3.800 3.466 3.038 3.813 0.013 9 0 "[ . 1 . 2]" 9
56 1 55 ILE MD 1 69 TYR QD 1.800 . 3.800 3.724 3.281 3.832 0.032 18 0 "[ . 1 . 2]" 9
57 1 55 ILE MD 1 69 TYR QE 1.800 . 3.800 2.888 2.559 3.297 . 0 0 "[ . 1 . 2]" 9
58 1 68 LYS QE 1 70 ILE MG 1.800 . 5.500 5.093 3.860 5.507 0.007 8 0 "[ . 1 . 2]" 9
59 1 69 TYR HA 1 70 ILE MG 1.800 . 5.500 5.517 5.429 5.586 0.086 3 0 "[ . 1 . 2]" 9
60 1 70 ILE MG 1 72 HIS HD2 1.800 . 3.800 2.510 2.036 3.013 . 0 0 "[ . 1 . 2]" 9
61 1 70 ILE MG 1 84 ASP HA 1.800 . 3.800 3.020 2.432 3.819 0.019 5 0 "[ . 1 . 2]" 9
62 1 70 ILE MG 1 84 ASP HB3 1.800 . 5.500 3.746 2.419 5.415 . 0 0 "[ . 1 . 2]" 9
63 1 70 ILE MG 1 84 ASP HB2 1.800 . 5.500 4.236 2.829 5.101 . 0 0 "[ . 1 . 2]" 9
64 1 69 TYR HB3 1 87 VAL MG2 1.800 . 3.800 2.928 2.502 3.590 . 0 0 "[ . 1 . 2]" 9
65 1 69 TYR H 1 87 VAL MG2 1.800 . 3.400 2.957 2.373 3.360 . 0 0 "[ . 1 . 2]" 9
66 1 86 MET HA 1 87 VAL MG2 1.800 . 3.800 3.608 3.471 3.799 . 0 0 "[ . 1 . 2]" 9
67 1 87 VAL HA 1 87 VAL MG2 1.800 . 3.200 2.359 2.261 2.457 . 0 0 "[ . 1 . 2]" 9
68 1 118 ILE MD 1 135 TRP HH2 1.800 . 3.800 3.257 2.654 3.847 0.047 12 0 "[ . 1 . 2]" 9
69 1 118 ILE MD 1 135 TRP HZ2 1.800 . 5.500 3.305 2.656 4.132 . 0 0 "[ . 1 . 2]" 9
70 1 71 GLN HE21 1 118 ILE MD 1.800 . 4.000 3.466 2.278 4.014 0.014 9 0 "[ . 1 . 2]" 9
71 1 71 GLN HE22 1 118 ILE MD 1.800 . 4.000 3.735 3.302 4.014 0.014 15 0 "[ . 1 . 2]" 9
72 1 53 ILE MD 1 71 GLN HE22 1.800 . 3.400 2.807 2.320 3.393 . 0 0 "[ . 1 . 2]" 9
73 1 53 ILE MD 1 71 GLN HE21 1.800 . 4.000 3.723 3.174 4.011 0.011 17 0 "[ . 1 . 2]" 9
74 1 87 VAL H 1 87 VAL MG2 1.800 . 3.400 2.155 1.950 2.416 . 0 0 "[ . 1 . 2]" 9
75 1 87 VAL MG2 1 88 GLY H 1.800 . 5.500 3.657 3.572 3.766 . 0 0 "[ . 1 . 2]" 9
76 1 71 GLN HE21 1 118 ILE MG 1.800 . 3.800 2.640 1.982 3.276 . 0 0 "[ . 1 . 2]" 9
77 1 71 GLN QG 1 118 ILE MG 1.800 . 3.200 2.030 1.766 3.235 0.035 9 0 "[ . 1 . 2]" 9
78 1 73 THR MG 1 118 ILE MD 1.800 . 3.700 3.359 2.833 3.708 0.008 17 0 "[ . 1 . 2]" 9
79 1 71 GLN HG2 1 118 ILE MD 1.800 . 5.500 3.884 3.148 5.548 0.048 8 0 "[ . 1 . 2]" 9
80 1 71 GLN HG3 1 118 ILE MD 1.800 . 5.500 4.194 3.684 5.507 0.007 10 0 "[ . 1 . 2]" 9
81 1 73 THR HA 1 118 ILE MD 1.800 . 3.800 3.361 2.299 3.843 0.043 16 0 "[ . 1 . 2]" 9
82 1 73 THR HA 1 118 ILE HG12 1.800 . 5.000 3.403 2.385 5.019 0.019 13 0 "[ . 1 . 2]" 9
83 1 73 THR HA 1 118 ILE HG13 1.800 . 6.000 4.675 3.979 5.679 . 0 0 "[ . 1 . 2]" 9
84 1 73 THR HA 1 118 ILE MG 1.800 . 5.500 3.338 2.620 4.340 . 0 0 "[ . 1 . 2]" 9
85 1 116 TYR HB2 1 118 ILE MD 1.800 . 3.800 3.720 3.452 3.847 0.047 9 0 "[ . 1 . 2]" 9
86 1 116 TYR HB3 1 118 ILE MD 1.800 . 3.800 3.461 2.771 3.807 0.007 18 0 "[ . 1 . 2]" 9
87 1 117 ASN HA 1 118 ILE MD 1.800 . 5.500 4.735 4.158 5.082 . 0 0 "[ . 1 . 2]" 9
88 1 117 ASN HA 1 118 ILE HG13 1.800 . 6.000 4.093 3.283 5.248 . 0 0 "[ . 1 . 2]" 9
89 1 117 ASN HA 1 118 ILE HG12 1.800 . 5.000 4.259 3.313 4.867 . 0 0 "[ . 1 . 2]" 9
90 1 117 ASN HA 1 118 ILE HB 1.800 . 5.000 4.600 4.513 4.659 . 0 0 "[ . 1 . 2]" 9
91 1 118 ILE HA 1 118 ILE QG 1.800 . 5.000 2.594 2.355 2.960 . 0 0 "[ . 1 . 2]" 9
92 1 118 ILE HA 1 118 ILE MG 1.800 . 3.200 2.345 2.270 2.409 . 0 0 "[ . 1 . 2]" 9
93 1 118 ILE H 1 118 ILE MG 1.800 . 5.500 3.829 3.793 3.892 . 0 0 "[ . 1 . 2]" 9
94 1 118 ILE MG 1 119 LYS H 1.800 . 3.400 2.670 2.013 3.424 0.024 13 0 "[ . 1 . 2]" 9
95 1 70 ILE MG 1 121 ARG QD 1.800 . 5.500 4.560 3.499 5.529 0.029 9 0 "[ . 1 . 2]" 9
96 1 13 VAL MG2 1 122 PHE QB 1.800 . 3.800 2.027 1.771 2.474 0.029 1 0 "[ . 1 . 2]" 9
97 1 87 VAL MG2 1 122 PHE QE 1.800 . 3.800 2.675 2.049 3.642 . 0 0 "[ . 1 . 2]" 9
98 1 11 VAL QG 1 130 HIS HA 1.800 . 5.500 4.951 4.609 5.124 . 0 0 "[ . 1 . 2]" 9
99 1 11 VAL QG 1 130 HIS QB 1.800 . 5.500 3.240 2.978 3.658 . 0 0 "[ . 1 . 2]" 9
100 1 13 VAL MG2 1 131 LEU QB 1.800 . 3.800 2.651 2.053 3.518 . 0 0 "[ . 1 . 2]" 9
101 1 13 VAL MG2 1 131 LEU MD2 1.800 . 6.000 3.088 1.943 4.485 . 0 0 "[ . 1 . 2]" 9
102 1 31 LEU MD2 1 131 LEU MD2 1.800 . 3.700 3.092 2.455 3.723 0.023 9 0 "[ . 1 . 2]" 9
103 1 13 VAL MG1 1 133 TRP HH2 1.800 . 5.500 2.947 2.345 3.512 . 0 0 "[ . 1 . 2]" 9
104 1 13 VAL MG2 1 133 TRP HZ2 1.800 . 6.500 4.512 4.227 4.946 . 0 0 "[ . 1 . 2]" 9
105 1 13 VAL MG1 1 133 TRP HZ3 1.800 . 5.500 3.601 3.080 4.178 . 0 0 "[ . 1 . 2]" 9
106 1 31 LEU MD2 1 133 TRP HD1 1.800 . 3.800 3.211 2.687 3.815 0.015 18 0 "[ . 1 . 2]" 9
107 1 55 ILE MD 1 133 TRP HH2 1.800 . 3.800 3.599 3.254 3.801 0.001 3 0 "[ . 1 . 2]" 9
108 1 55 ILE MD 1 133 TRP HZ2 1.800 . 3.800 3.608 3.109 3.822 0.022 19 0 "[ . 1 . 2]" 9
109 1 118 ILE MG 1 134 GLU HA 1.800 . 6.500 4.626 4.149 4.926 . 0 0 "[ . 1 . 2]" 9
110 1 29 LEU MD1 1 135 TRP QB 1.800 . 5.500 2.472 1.891 3.084 . 0 0 "[ . 1 . 2]" 9
111 1 118 ILE MG 1 135 TRP HZ2 1.800 . 3.200 2.747 2.116 3.213 0.013 16 0 "[ . 1 . 2]" 9
112 1 118 ILE MD 1 135 TRP HZ3 1.800 . 5.500 3.811 2.970 4.553 . 0 0 "[ . 1 . 2]" 9
113 1 118 ILE MD 1 136 ASN HA 1.800 . 5.500 4.537 4.077 5.040 . 0 0 "[ . 1 . 2]" 9
114 1 118 ILE MD 1 137 LEU HA 1.800 . 5.500 4.734 4.326 5.243 . 0 0 "[ . 1 . 2]" 9
115 1 118 ILE HG13 1 137 LEU QB 1.800 . 5.000 3.071 2.250 3.719 . 0 0 "[ . 1 . 2]" 9
116 1 118 ILE MD 1 137 LEU MD1 1.800 . 3.700 3.601 3.174 3.725 0.025 13 0 "[ . 1 . 2]" 9
117 1 118 ILE HG13 1 137 LEU H 1.800 . 6.000 4.010 3.373 5.324 . 0 0 "[ . 1 . 2]" 9
118 1 45 LEU MD1 1 139 ILE MD 1.800 . 4.300 2.844 2.286 3.358 . 0 0 "[ . 1 . 2]" 9
119 1 45 LEU H 1 139 ILE MD 1.800 . 5.500 3.340 2.659 4.108 . 0 0 "[ . 1 . 2]" 9
120 1 47 GLU HA 1 139 ILE MD 1.800 . 5.500 4.057 3.406 4.728 . 0 0 "[ . 1 . 2]" 9
121 1 106 ALA HA 1 139 ILE MD 1.800 . 5.500 4.485 3.884 5.079 . 0 0 "[ . 1 . 2]" 9
122 1 107 PRO HD2 1 139 ILE MD 1.800 . 3.800 2.537 1.975 3.217 . 0 0 "[ . 1 . 2]" 9
123 1 107 PRO HD3 1 139 ILE MD 1.800 . 5.500 3.973 3.036 4.696 . 0 0 "[ . 1 . 2]" 9
124 1 107 PRO QG 1 139 ILE MD 1.800 . 6.500 3.142 2.435 3.935 . 0 0 "[ . 1 . 2]" 9
125 1 116 TYR QD 1 139 ILE MD 1.800 . 6.500 4.141 3.642 4.448 . 0 0 "[ . 1 . 2]" 9
126 1 116 TYR QE 1 139 ILE MD 1.800 . 5.500 4.599 4.143 4.914 . 0 0 "[ . 1 . 2]" 9
127 1 139 ILE MD 1 140 LYS H 1.800 . 4.000 3.476 3.338 3.618 . 0 0 "[ . 1 . 2]" 9
128 1 87 VAL MG2 1 99 PHE QD 1.800 . 3.800 3.053 2.732 3.357 . 0 0 "[ . 1 . 2]" 9
129 1 99 PHE QD 1 100 LEU H 1.800 . 3.500 2.679 2.481 2.801 . 0 0 "[ . 1 . 2]" 9
130 1 45 LEU MD1 1 143 TRP HZ3 1.800 . 6.500 3.922 2.801 4.414 . 0 0 "[ . 1 . 2]" 9
131 1 45 LEU MD1 1 49 VAL HB 1.800 . 6.500 5.205 4.669 5.748 . 0 0 "[ . 1 . 2]" 9
132 1 45 LEU MD1 1 143 TRP HH2 1.800 . 5.500 4.474 2.803 5.106 . 0 0 "[ . 1 . 2]" 9
133 1 43 PHE QB 1 45 LEU MD1 1.800 . 5.500 3.730 2.854 4.662 . 0 0 "[ . 1 . 2]" 9
134 1 45 LEU MD1 1 51 TYR HB3 1.800 . 5.500 4.040 3.274 5.549 0.049 3 0 "[ . 1 . 2]" 9
135 1 45 LEU MD1 1 51 TYR HB2 1.800 . 5.500 4.444 3.746 5.289 . 0 0 "[ . 1 . 2]" 9
136 1 118 ILE MD 1 137 LEU HG 1.800 . 5.500 4.575 2.472 5.192 . 0 0 "[ . 1 . 2]" 9
137 1 116 TYR HB2 1 137 LEU HG 1.800 . 5.500 4.089 3.695 4.646 . 0 0 "[ . 1 . 2]" 9
stop_
save_
save_distance_constraint_statistics_10
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 10
_Distance_constraint_stats_list.Constraint_count 98
_Distance_constraint_stats_list.Viol_count 265
_Distance_constraint_stats_list.Viol_total 224.609
_Distance_constraint_stats_list.Viol_max 0.214
_Distance_constraint_stats_list.Viol_rms 0.0209
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0057
_Distance_constraint_stats_list.Viol_average_violations_only 0.0424
_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 10 ASN 0.743 0.111 19 0 "[ . 1 . 2]"
1 12 VAL 1.199 0.104 14 0 "[ . 1 . 2]"
1 14 THR 0.045 0.020 12 0 "[ . 1 . 2]"
1 15 ARG 0.138 0.057 4 0 "[ . 1 . 2]"
1 16 LEU 0.006 0.006 17 0 "[ . 1 . 2]"
1 17 THR 0.043 0.027 13 0 "[ . 1 . 2]"
1 18 LEU 1.154 0.086 1 0 "[ . 1 . 2]"
1 19 VAL 0.024 0.013 12 0 "[ . 1 . 2]"
1 27 LEU 1.154 0.086 1 0 "[ . 1 . 2]"
1 29 LEU 0.006 0.006 17 0 "[ . 1 . 2]"
1 31 LEU 0.045 0.020 12 0 "[ . 1 . 2]"
1 43 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 LYS 2.348 0.214 6 0 "[ . 1 . 2]"
1 47 GLU 0.009 0.009 1 0 "[ . 1 . 2]"
1 49 VAL 2.348 0.214 6 0 "[ . 1 . 2]"
1 51 TYR 0.082 0.015 1 0 "[ . 1 . 2]"
1 52 ARG 0.024 0.013 12 0 "[ . 1 . 2]"
1 53 ILE 2.615 0.162 16 0 "[ . 1 . 2]"
1 54 LYS 0.043 0.027 13 0 "[ . 1 . 2]"
1 55 ILE 0.106 0.022 16 0 "[ . 1 . 2]"
1 56 SER 0.138 0.057 4 0 "[ . 1 . 2]"
1 57 PHE 0.452 0.077 15 0 "[ . 1 . 2]"
1 58 ARG 1.199 0.104 14 0 "[ . 1 . 2]"
1 59 VAL 1.524 0.160 8 0 "[ . 1 . 2]"
1 60 ASN 0.743 0.111 19 0 "[ . 1 . 2]"
1 64 VAL 0.066 0.016 19 0 "[ . 1 . 2]"
1 67 MET 0.033 0.016 3 0 "[ . 1 . 2]"
1 68 LYS 0.093 0.036 7 0 "[ . 1 . 2]"
1 69 TYR 0.001 0.001 12 0 "[ . 1 . 2]"
1 70 ILE 0.316 0.057 2 0 "[ . 1 . 2]"
1 71 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 TYR 0.007 0.007 13 0 "[ . 1 . 2]"
1 75 ARG 0.007 0.006 15 0 "[ . 1 . 2]"
1 78 VAL 0.007 0.006 15 0 "[ . 1 . 2]"
1 81 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 TYR 0.001 0.001 12 0 "[ . 1 . 2]"
1 88 GLY 0.033 0.016 3 0 "[ . 1 . 2]"
1 90 TYR 0.066 0.016 19 0 "[ . 1 . 2]"
1 95 GLU 1.524 0.160 8 0 "[ . 1 . 2]"
1 97 TYR 0.452 0.077 15 0 "[ . 1 . 2]"
1 99 PHE 0.106 0.022 16 0 "[ . 1 . 2]"
1 101 THR 2.615 0.162 16 0 "[ . 1 . 2]"
1 104 GLU 0.082 0.015 1 0 "[ . 1 . 2]"
1 114 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 116 TYR 0.009 0.009 14 0 "[ . 1 . 2]"
1 117 ASN 0.007 0.007 13 0 "[ . 1 . 2]"
1 118 ILE 0.038 0.020 9 0 "[ . 1 . 2]"
1 119 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 120 SER 0.162 0.024 10 0 "[ . 1 . 2]"
1 121 ARG 0.316 0.057 2 0 "[ . 1 . 2]"
1 122 PHE 0.011 0.011 5 0 "[ . 1 . 2]"
1 123 THR 0.093 0.036 7 0 "[ . 1 . 2]"
1 131 LEU 0.011 0.011 5 0 "[ . 1 . 2]"
1 133 TRP 0.162 0.024 10 0 "[ . 1 . 2]"
1 135 TRP 0.038 0.020 9 0 "[ . 1 . 2]"
1 137 LEU 0.009 0.009 14 0 "[ . 1 . 2]"
1 138 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 139 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 140 LYS 0.009 0.009 1 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 14 THR H 1 56 SER O 1.900 . 2.800 1.981 1.765 2.676 . 0 0 "[ . 1 . 2]" 10
2 1 14 THR N 1 56 SER O 2.800 2.400 3.500 2.744 2.585 3.247 . 0 0 "[ . 1 . 2]" 10
3 1 15 ARG H 1 56 SER O 1.900 . 2.800 2.483 2.115 2.667 . 0 0 "[ . 1 . 2]" 10
4 1 15 ARG N 1 56 SER O 2.800 2.400 3.500 3.391 3.087 3.557 0.057 4 0 "[ . 1 . 2]" 10
5 1 16 LEU H 1 29 LEU O 1.900 . 2.800 2.270 1.948 2.620 . 0 0 "[ . 1 . 2]" 10
6 1 16 LEU N 1 29 LEU O 2.800 2.400 3.500 3.092 2.854 3.506 0.006 17 0 "[ . 1 . 2]" 10
7 1 17 THR H 1 54 LYS O 1.900 . 2.800 2.248 1.813 2.827 0.027 13 0 "[ . 1 . 2]" 10
8 1 17 THR N 1 54 LYS O 2.800 2.400 3.500 3.098 2.789 3.426 . 0 0 "[ . 1 . 2]" 10
9 1 18 LEU H 1 27 LEU O 1.900 . 2.800 2.814 2.668 2.838 0.038 7 0 "[ . 1 . 2]" 10
10 1 18 LEU N 1 27 LEU O 2.800 2.400 3.500 3.271 3.081 3.447 . 0 0 "[ . 1 . 2]" 10
11 1 19 VAL H 1 52 ARG O 1.900 . 2.800 2.540 2.142 2.813 0.013 12 0 "[ . 1 . 2]" 10
12 1 19 VAL N 1 52 ARG O 2.800 2.400 3.500 3.276 2.960 3.502 0.002 16 0 "[ . 1 . 2]" 10
13 1 18 LEU O 1 27 LEU H 1.900 . 2.800 2.725 2.600 2.823 0.023 13 0 "[ . 1 . 2]" 10
14 1 18 LEU O 1 27 LEU N 2.800 2.400 3.500 3.530 3.442 3.586 0.086 1 0 "[ . 1 . 2]" 10
15 1 16 LEU O 1 29 LEU H 1.900 . 2.800 1.938 1.643 2.324 . 0 0 "[ . 1 . 2]" 10
16 1 16 LEU O 1 29 LEU N 2.800 2.400 3.500 2.807 2.595 3.191 . 0 0 "[ . 1 . 2]" 10
17 1 14 THR O 1 31 LEU H 1.900 . 2.800 2.287 1.884 2.673 . 0 0 "[ . 1 . 2]" 10
18 1 14 THR O 1 31 LEU N 2.800 2.400 3.500 3.173 2.780 3.520 0.020 12 0 "[ . 1 . 2]" 10
19 1 45 LEU H 1 138 THR O 1.900 . 2.800 1.903 1.615 2.280 . 0 0 "[ . 1 . 2]" 10
20 1 45 LEU N 1 138 THR O 2.800 2.400 3.500 2.698 2.577 2.951 . 0 0 "[ . 1 . 2]" 10
21 1 47 GLU H 1 140 LYS O 1.900 . 2.800 2.260 1.823 2.781 . 0 0 "[ . 1 . 2]" 10
22 1 47 GLU N 1 140 LYS O 2.800 2.400 3.500 2.953 2.581 3.509 0.009 1 0 "[ . 1 . 2]" 10
23 1 46 LYS O 1 49 VAL H 1.900 . 2.800 2.851 2.793 2.907 0.107 13 0 "[ . 1 . 2]" 10
24 1 46 LYS O 1 49 VAL N 2.800 2.400 3.500 3.532 3.311 3.714 0.214 6 0 "[ . 1 . 2]" 10
25 1 51 TYR H 1 104 GLU O 1.900 . 2.800 2.260 1.645 2.589 . 0 0 "[ . 1 . 2]" 10
26 1 51 TYR N 1 104 GLU O 2.800 2.400 3.500 3.175 2.571 3.515 0.015 1 0 "[ . 1 . 2]" 10
27 1 19 VAL O 1 52 ARG H 1.900 . 2.800 2.315 1.754 2.576 . 0 0 "[ . 1 . 2]" 10
28 1 19 VAL O 1 52 ARG N 2.800 2.400 3.500 3.153 2.584 3.433 . 0 0 "[ . 1 . 2]" 10
29 1 53 ILE H 1 101 THR O 1.900 . 2.800 2.788 2.675 2.874 0.074 3 0 "[ . 1 . 2]" 10
30 1 53 ILE N 1 101 THR O 2.800 2.400 3.500 3.614 3.559 3.662 0.162 16 0 "[ . 1 . 2]" 10
31 1 55 ILE H 1 99 PHE O 1.900 . 2.800 2.541 1.864 2.822 0.022 16 0 "[ . 1 . 2]" 10
32 1 55 ILE N 1 99 PHE O 2.800 2.400 3.500 3.159 2.595 3.503 0.003 17 0 "[ . 1 . 2]" 10
33 1 15 ARG O 1 56 SER H 1.900 . 2.800 2.184 1.928 2.461 . 0 0 "[ . 1 . 2]" 10
34 1 15 ARG O 1 56 SER N 2.800 2.400 3.500 3.041 2.780 3.272 . 0 0 "[ . 1 . 2]" 10
35 1 57 PHE H 1 97 TYR O 1.900 . 2.800 2.592 2.217 2.751 . 0 0 "[ . 1 . 2]" 10
36 1 57 PHE N 1 97 TYR O 2.800 2.400 3.500 3.490 3.057 3.577 0.077 15 0 "[ . 1 . 2]" 10
37 1 12 VAL O 1 58 ARG H 1.900 . 2.800 2.705 2.364 2.842 0.042 12 0 "[ . 1 . 2]" 10
38 1 12 VAL O 1 58 ARG N 2.800 2.400 3.500 3.543 3.275 3.604 0.104 14 0 "[ . 1 . 2]" 10
39 1 59 VAL H 1 95 GLU O 1.900 . 2.800 2.663 2.547 2.817 0.017 10 0 "[ . 1 . 2]" 10
40 1 59 VAL N 1 95 GLU O 2.800 2.400 3.500 3.575 3.512 3.660 0.160 8 0 "[ . 1 . 2]" 10
41 1 10 ASN O 1 60 ASN H 1.900 . 2.800 2.659 2.451 2.806 0.006 15 0 "[ . 1 . 2]" 10
42 1 10 ASN O 1 60 ASN N 2.800 2.400 3.500 3.521 3.353 3.611 0.111 19 0 "[ . 1 . 2]" 10
43 1 64 VAL H 1 90 TYR O 1.900 . 2.800 2.234 1.659 2.811 0.011 5 0 "[ . 1 . 2]" 10
44 1 64 VAL N 1 90 TYR O 2.800 2.400 3.500 3.024 2.578 3.504 0.004 12 0 "[ . 1 . 2]" 10
45 1 67 MET H 1 88 GLY O 1.900 . 2.800 2.355 1.673 2.726 . 0 0 "[ . 1 . 2]" 10
46 1 67 MET N 1 88 GLY O 2.800 2.400 3.500 3.234 2.632 3.516 0.016 3 0 "[ . 1 . 2]" 10
47 1 68 LYS H 1 123 THR O 1.900 . 2.800 1.937 1.676 2.563 . 0 0 "[ . 1 . 2]" 10
48 1 68 LYS N 1 123 THR O 2.800 2.400 3.500 2.872 2.568 3.502 0.002 14 0 "[ . 1 . 2]" 10
49 1 69 TYR H 1 85 TYR O 1.900 . 2.800 1.931 1.613 2.448 . 0 0 "[ . 1 . 2]" 10
50 1 69 TYR N 1 85 TYR O 2.800 2.400 3.500 2.811 2.590 3.420 . 0 0 "[ . 1 . 2]" 10
51 1 70 ILE H 1 121 ARG O 1.900 . 2.800 2.556 2.239 2.777 . 0 0 "[ . 1 . 2]" 10
52 1 70 ILE N 1 121 ARG O 2.800 2.400 3.500 3.478 3.181 3.557 0.057 2 0 "[ . 1 . 2]" 10
53 1 71 GLN H 1 83 THR O 1.900 . 2.800 2.157 1.799 2.666 . 0 0 "[ . 1 . 2]" 10
54 1 71 GLN N 1 83 THR O 2.800 2.400 3.500 2.963 2.742 3.442 . 0 0 "[ . 1 . 2]" 10
55 1 72 HIS H 1 119 LYS O 1.900 . 2.800 1.810 1.671 2.085 . 0 0 "[ . 1 . 2]" 10
56 1 72 HIS N 1 119 LYS O 2.800 2.400 3.500 2.657 2.561 2.895 . 0 0 "[ . 1 . 2]" 10
57 1 73 THR H 1 81 ASP O 1.900 . 2.800 1.720 1.609 1.966 . 0 0 "[ . 1 . 2]" 10
58 1 73 THR N 1 81 ASP O 2.800 2.400 3.500 2.617 2.557 2.745 . 0 0 "[ . 1 . 2]" 10
59 1 74 TYR H 1 117 ASN O 1.900 . 2.800 2.126 1.768 2.469 . 0 0 "[ . 1 . 2]" 10
60 1 74 TYR N 1 117 ASN O 2.800 2.400 3.500 2.720 2.582 3.021 . 0 0 "[ . 1 . 2]" 10
61 1 75 ARG H 1 78 VAL O 1.900 . 2.800 1.986 1.621 2.788 . 0 0 "[ . 1 . 2]" 10
62 1 75 ARG N 1 78 VAL O 2.800 2.400 3.500 2.888 2.570 3.506 0.006 15 0 "[ . 1 . 2]" 10
63 1 69 TYR O 1 85 TYR H 1.900 . 2.800 2.002 1.625 2.801 0.001 12 0 "[ . 1 . 2]" 10
64 1 69 TYR O 1 85 TYR N 2.800 2.400 3.500 2.853 2.585 3.498 . 0 0 "[ . 1 . 2]" 10
65 1 64 VAL O 1 90 TYR H 1.900 . 2.800 2.460 1.696 2.730 . 0 0 "[ . 1 . 2]" 10
66 1 64 VAL O 1 90 TYR N 2.800 2.400 3.500 3.348 2.646 3.516 0.016 19 0 "[ . 1 . 2]" 10
67 1 55 ILE O 1 99 PHE H 1.900 . 2.800 1.924 1.649 2.207 . 0 0 "[ . 1 . 2]" 10
68 1 55 ILE O 1 99 PHE N 2.800 2.400 3.500 2.790 2.593 3.025 . 0 0 "[ . 1 . 2]" 10
69 1 53 ILE O 1 101 THR H 1.900 . 2.800 2.027 1.640 2.751 . 0 0 "[ . 1 . 2]" 10
70 1 53 ILE O 1 101 THR N 2.800 2.400 3.500 2.889 2.586 3.523 0.023 13 0 "[ . 1 . 2]" 10
71 1 116 TYR H 1 137 LEU O 1.900 . 2.800 2.087 1.677 2.809 0.009 14 0 "[ . 1 . 2]" 10
72 1 116 TYR N 1 137 LEU O 2.800 2.400 3.500 2.914 2.596 3.465 . 0 0 "[ . 1 . 2]" 10
73 1 74 TYR O 1 117 ASN H 1.900 . 2.800 2.500 2.214 2.807 0.007 13 0 "[ . 1 . 2]" 10
74 1 74 TYR O 1 117 ASN N 2.800 2.400 3.500 2.938 2.588 3.349 . 0 0 "[ . 1 . 2]" 10
75 1 118 ILE H 1 135 TRP O 1.900 . 2.800 1.948 1.713 2.234 . 0 0 "[ . 1 . 2]" 10
76 1 118 ILE N 1 135 TRP O 2.800 2.400 3.500 2.789 2.586 3.143 . 0 0 "[ . 1 . 2]" 10
77 1 72 HIS O 1 119 LYS H 1.900 . 2.800 2.064 1.739 2.545 . 0 0 "[ . 1 . 2]" 10
78 1 72 HIS O 1 119 LYS N 2.800 2.400 3.500 2.964 2.681 3.350 . 0 0 "[ . 1 . 2]" 10
79 1 120 SER H 1 133 TRP O 1.900 . 2.800 2.620 2.466 2.699 . 0 0 "[ . 1 . 2]" 10
80 1 120 SER N 1 133 TRP O 2.800 2.400 3.500 3.466 3.247 3.524 0.024 10 0 "[ . 1 . 2]" 10
81 1 70 ILE O 1 121 ARG H 1.900 . 2.800 2.220 1.659 2.637 . 0 0 "[ . 1 . 2]" 10
82 1 70 ILE O 1 121 ARG N 2.800 2.400 3.500 3.087 2.587 3.477 . 0 0 "[ . 1 . 2]" 10
83 1 122 PHE H 1 131 LEU O 1.900 . 2.800 2.245 1.729 2.811 0.011 5 0 "[ . 1 . 2]" 10
84 1 122 PHE N 1 131 LEU O 2.800 2.400 3.500 2.950 2.573 3.475 . 0 0 "[ . 1 . 2]" 10
85 1 68 LYS O 1 123 THR H 1.900 . 2.800 2.456 1.899 2.805 0.005 12 0 "[ . 1 . 2]" 10
86 1 68 LYS O 1 123 THR N 2.800 2.400 3.500 3.290 2.841 3.536 0.036 7 0 "[ . 1 . 2]" 10
87 1 120 SER O 1 133 TRP H 1.900 . 2.800 2.405 2.106 2.702 . 0 0 "[ . 1 . 2]" 10
88 1 120 SER O 1 133 TRP N 2.800 2.400 3.500 3.236 2.972 3.494 . 0 0 "[ . 1 . 2]" 10
89 1 118 ILE O 1 135 TRP H 1.900 . 2.800 2.449 2.118 2.663 . 0 0 "[ . 1 . 2]" 10
90 1 118 ILE O 1 135 TRP N 2.800 2.400 3.500 3.317 3.019 3.520 0.020 9 0 "[ . 1 . 2]" 10
91 1 116 TYR O 1 137 LEU H 1.900 . 2.800 1.993 1.773 2.303 . 0 0 "[ . 1 . 2]" 10
92 1 116 TYR O 1 137 LEU N 2.800 2.400 3.500 2.769 2.589 3.104 . 0 0 "[ . 1 . 2]" 10
93 1 43 PHE O 1 138 THR H 1.900 . 2.800 2.286 1.832 2.687 . 0 0 "[ . 1 . 2]" 10
94 1 43 PHE O 1 138 THR N 2.800 2.400 3.500 2.870 2.589 3.248 . 0 0 "[ . 1 . 2]" 10
95 1 114 GLY O 1 139 ILE H 1.900 . 2.800 1.930 1.669 2.327 . 0 0 "[ . 1 . 2]" 10
96 1 114 GLY O 1 139 ILE N 2.800 2.400 3.500 2.806 2.582 3.054 . 0 0 "[ . 1 . 2]" 10
97 1 45 LEU O 1 140 LYS H 1.900 . 2.800 1.984 1.645 2.751 . 0 0 "[ . 1 . 2]" 10
98 1 45 LEU O 1 140 LYS N 2.800 2.400 3.500 2.705 2.572 3.337 . 0 0 "[ . 1 . 2]" 10
stop_
save_
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