NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
482163 |
1jyt   |
4735 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1jyt
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 110
_Distance_constraint_stats_list.Viol_count 133
_Distance_constraint_stats_list.Viol_total 310.544
_Distance_constraint_stats_list.Viol_max 0.477
_Distance_constraint_stats_list.Viol_rms 0.0419
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0071
_Distance_constraint_stats_list.Viol_average_violations_only 0.1167
_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 11 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 ASP 0.231 0.071 9 0 "[ . 1 . 2]"
1 21 LEU 0.093 0.093 11 0 "[ . 1 . 2]"
1 22 THR 0.507 0.119 2 0 "[ . 1 . 2]"
1 27 LEU 1.798 0.326 1 0 "[ . 1 . 2]"
1 29 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 LYS 3.169 0.420 9 0 "[ . 1 . 2]"
1 35 ARG 1.862 0.103 2 0 "[ . 1 . 2]"
1 37 GLU 1.292 0.093 5 0 "[ . 1 . 2]"
1 38 LYS 0.591 0.089 10 0 "[ . 1 . 2]"
1 39 LYS 0.410 0.091 19 0 "[ . 1 . 2]"
1 41 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 GLU 0.301 0.171 20 0 "[ . 1 . 2]"
1 45 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 LEU 0.010 0.010 5 0 "[ . 1 . 2]"
1 52 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 ILE 0.007 0.006 13 0 "[ . 1 . 2]"
1 63 LEU 3.172 0.477 4 0 "[ . 1 . 2]"
1 70 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 LEU 0.004 0.003 20 0 "[ . 1 . 2]"
1 78 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 94 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 96 THR 1.305 0.431 9 0 "[ . 1 . 2]"
1 99 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 100 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 103 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 104 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 105 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 114 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 123 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 129 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 132 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 133 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 135 ILE 0.720 0.438 17 0 "[ . 1 . 2]"
1 138 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 142 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 149 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 154 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 156 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 158 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 159 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 160 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 163 LEU 0.056 0.056 16 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 11 LEU H 1 11 LEU QB 1.800 . 5.000 2.530 2.395 2.710 . 0 0 "[ . 1 . 2]" 1
2 1 15 LEU H 1 15 LEU QB 1.800 . 5.000 2.547 2.151 3.044 . 0 0 "[ . 1 . 2]" 1
3 1 15 LEU HA 1 15 LEU QD 1.800 . 4.200 2.596 2.017 3.300 . 0 0 "[ . 1 . 2]" 1
4 1 15 LEU QB 1 15 LEU QD 1.800 . 3.300 1.931 1.885 2.014 . 0 0 "[ . 1 . 2]" 1
5 1 17 LEU H 1 17 LEU QB 1.800 . 5.000 2.527 2.126 3.085 . 0 0 "[ . 1 . 2]" 1
6 1 17 LEU QB 1 17 LEU QD 1.800 . 3.300 1.942 1.870 2.044 . 0 0 "[ . 1 . 2]" 1
7 1 20 ASP H 1 20 ASP HA 1.800 . 2.900 2.864 2.666 2.971 0.071 9 0 "[ . 1 . 2]" 1
8 1 21 LEU H 1 21 LEU QB 1.800 . 4.200 2.381 2.077 2.901 . 0 0 "[ . 1 . 2]" 1
9 1 21 LEU QB 1 21 LEU QD 1.800 . 2.700 1.944 1.879 2.036 . 0 0 "[ . 1 . 2]" 1
10 1 21 LEU HA 1 21 LEU QD 1.800 . 3.300 2.560 1.987 3.393 0.093 11 0 "[ . 1 . 2]" 1
11 1 22 THR H 1 22 THR HA 1.800 . 2.900 2.856 2.813 2.890 . 0 0 "[ . 1 . 2]" 1
12 1 22 THR H 1 22 THR HB 1.800 . 3.500 2.876 2.160 3.619 0.119 2 0 "[ . 1 . 2]" 1
13 1 27 LEU H 1 27 LEU QB 1.800 . 4.200 2.274 2.159 2.344 . 0 0 "[ . 1 . 2]" 1
14 1 27 LEU HA 1 27 LEU QD 1.800 . 2.700 2.477 1.983 3.026 0.326 1 0 "[ . 1 . 2]" 1
15 1 27 LEU QB 1 27 LEU QD 1.800 . 3.300 1.921 1.896 2.017 . 0 0 "[ . 1 . 2]" 1
16 1 29 VAL H 1 29 VAL HB 1.800 . 4.200 2.586 2.271 3.655 . 0 0 "[ . 1 . 2]" 1
17 1 29 VAL HA 1 29 VAL QG 1.800 . 2.700 2.120 2.053 2.380 . 0 0 "[ . 1 . 2]" 1
18 1 29 VAL HB 1 29 VAL QG 1.800 . 2.700 1.912 1.889 1.919 . 0 0 "[ . 1 . 2]" 1
19 1 32 LEU H 1 32 LEU QB 1.800 . 5.000 2.349 2.121 2.519 . 0 0 "[ . 1 . 2]" 1
20 1 32 LEU HA 1 32 LEU QD 1.800 . 4.200 2.343 1.970 3.337 . 0 0 "[ . 1 . 2]" 1
21 1 32 LEU QB 1 32 LEU QD 1.800 . 3.300 1.919 1.887 2.008 . 0 0 "[ . 1 . 2]" 1
22 1 33 LYS H 1 33 LYS HA 1.800 . 2.900 2.889 2.763 2.972 0.072 4 0 "[ . 1 . 2]" 1
23 1 33 LYS H 1 33 LYS QB 1.800 . 2.900 2.282 2.166 2.475 . 0 0 "[ . 1 . 2]" 1
24 1 33 LYS H 1 33 LYS QG 1.800 . 3.500 3.022 2.278 3.920 0.420 9 0 "[ . 1 . 2]" 1
25 1 35 ARG H 1 35 ARG HA 1.800 . 2.900 2.993 2.977 3.003 0.103 2 0 "[ . 1 . 2]" 1
26 1 37 GLU H 1 37 GLU HA 1.800 . 2.900 2.965 2.917 2.993 0.093 5 0 "[ . 1 . 2]" 1
27 1 38 LYS H 1 38 LYS HA 1.800 . 2.900 2.865 2.335 2.989 0.089 10 0 "[ . 1 . 2]" 1
28 1 39 LYS H 1 39 LYS HA 1.800 . 2.900 2.913 2.867 2.991 0.091 19 0 "[ . 1 . 2]" 1
29 1 41 ASP H 1 41 ASP QB 1.800 . 2.900 2.485 2.255 2.844 . 0 0 "[ . 1 . 2]" 1
30 1 43 GLU H 1 43 GLU QB 1.800 . 2.900 2.647 2.272 3.071 0.171 20 0 "[ . 1 . 2]" 1
31 1 45 LEU QB 1 45 LEU QD 1.800 . 3.300 1.971 1.894 2.047 . 0 0 "[ . 1 . 2]" 1
32 1 46 LEU HA 1 46 LEU QD 1.800 . 2.700 2.284 2.009 2.710 0.010 5 0 "[ . 1 . 2]" 1
33 1 46 LEU QB 1 46 LEU QD 1.800 . 2.700 1.929 1.891 2.018 . 0 0 "[ . 1 . 2]" 1
34 1 46 LEU QD 1 46 LEU HG 1.800 . 2.700 1.912 1.899 1.917 . 0 0 "[ . 1 . 2]" 1
35 1 52 VAL HA 1 52 VAL QG 1.800 . 3.300 2.103 2.054 2.340 . 0 0 "[ . 1 . 2]" 1
36 1 52 VAL HB 1 52 VAL QG 1.800 . 2.700 1.899 1.884 1.919 . 0 0 "[ . 1 . 2]" 1
37 1 55 LEU H 1 55 LEU QB 1.800 . 5.000 2.786 2.657 2.910 . 0 0 "[ . 1 . 2]" 1
38 1 55 LEU HA 1 55 LEU QD 1.800 . 5.000 2.152 1.968 2.445 . 0 0 "[ . 1 . 2]" 1
39 1 55 LEU QB 1 55 LEU QD 1.800 . 3.300 1.938 1.898 2.018 . 0 0 "[ . 1 . 2]" 1
40 1 58 ILE HA 1 58 ILE MD 1.800 . 4.200 3.556 2.512 4.201 0.001 11 0 "[ . 1 . 2]" 1
41 1 58 ILE HA 1 58 ILE MG 1.800 . 2.700 2.461 2.209 2.706 0.006 13 0 "[ . 1 . 2]" 1
42 1 58 ILE QG 1 58 ILE MG 1.800 . 2.700 2.238 2.013 2.603 . 0 0 "[ . 1 . 2]" 1
43 1 58 ILE MD 1 58 ILE QG 1.800 . 2.700 1.895 1.870 1.923 . 0 0 "[ . 1 . 2]" 1
44 1 63 LEU HA 1 63 LEU QD 1.800 . 2.700 2.486 1.925 3.177 0.477 4 0 "[ . 1 . 2]" 1
45 1 63 LEU QB 1 63 LEU QD 1.800 . 4.200 1.989 1.894 2.074 . 0 0 "[ . 1 . 2]" 1
46 1 70 VAL HA 1 70 VAL QG 1.800 . 2.700 2.232 2.090 2.399 . 0 0 "[ . 1 . 2]" 1
47 1 70 VAL HB 1 70 VAL QG 1.800 . 2.700 1.916 1.907 1.925 . 0 0 "[ . 1 . 2]" 1
48 1 71 VAL H 1 71 VAL HB 1.800 . 4.200 2.892 2.445 3.826 . 0 0 "[ . 1 . 2]" 1
49 1 71 VAL HA 1 71 VAL QG 1.800 . 2.700 2.146 2.070 2.283 . 0 0 "[ . 1 . 2]" 1
50 1 71 VAL HB 1 71 VAL QG 1.800 . 2.700 1.909 1.897 1.913 . 0 0 "[ . 1 . 2]" 1
51 1 72 LEU H 1 72 LEU QB 1.800 . 5.000 2.970 2.453 3.193 . 0 0 "[ . 1 . 2]" 1
52 1 72 LEU HA 1 72 LEU QD 1.800 . 3.300 2.959 2.278 3.303 0.003 20 0 "[ . 1 . 2]" 1
53 1 72 LEU QB 1 72 LEU QD 1.800 . 3.300 1.950 1.849 2.058 . 0 0 "[ . 1 . 2]" 1
54 1 78 VAL HA 1 78 VAL QG 1.800 . 4.200 2.117 2.023 2.262 . 0 0 "[ . 1 . 2]" 1
55 1 78 VAL HB 1 78 VAL QG 1.800 . 2.700 1.911 1.903 1.916 . 0 0 "[ . 1 . 2]" 1
56 1 79 THR HA 1 79 THR MG 1.800 . 3.300 2.295 2.224 2.352 . 0 0 "[ . 1 . 2]" 1
57 1 80 ILE H 1 80 ILE HB 1.800 . 4.200 2.296 2.142 2.412 . 0 0 "[ . 1 . 2]" 1
58 1 80 ILE HB 1 80 ILE MD 1.800 . 4.200 2.376 2.205 3.210 . 0 0 "[ . 1 . 2]" 1
59 1 80 ILE HA 1 80 ILE MG 1.800 . 3.300 2.523 2.314 2.725 . 0 0 "[ . 1 . 2]" 1
60 1 81 THR HA 1 81 THR MG 1.800 . 3.300 2.383 2.199 2.640 . 0 0 "[ . 1 . 2]" 1
61 1 86 ASN HA 1 86 ASN QB 1.800 . 2.700 2.378 2.203 2.431 . 0 0 "[ . 1 . 2]" 1
62 1 88 THR HA 1 88 THR MG 1.800 . 3.300 2.396 2.175 3.192 . 0 0 "[ . 1 . 2]" 1
63 1 91 LEU HA 1 91 LEU QD 1.800 . 3.300 2.153 2.014 2.397 . 0 0 "[ . 1 . 2]" 1
64 1 91 LEU QB 1 91 LEU QD 1.800 . 2.700 1.958 1.913 2.048 . 0 0 "[ . 1 . 2]" 1
65 1 92 THR HA 1 92 THR MG 1.800 . 2.700 2.467 2.216 2.687 . 0 0 "[ . 1 . 2]" 1
66 1 94 LEU QB 1 94 LEU QD 1.800 . 4.200 1.921 1.892 1.959 . 0 0 "[ . 1 . 2]" 1
67 1 96 THR HA 1 96 THR MG 1.800 . 2.700 2.578 2.234 3.131 0.431 9 0 "[ . 1 . 2]" 1
68 1 99 LEU HA 1 99 LEU QD 1.800 . 4.200 2.917 2.144 3.335 . 0 0 "[ . 1 . 2]" 1
69 1 99 LEU QB 1 99 LEU QD 1.800 . 3.300 1.934 1.883 2.083 . 0 0 "[ . 1 . 2]" 1
70 1 99 LEU QD 1 99 LEU HG 1.800 . 2.700 1.906 1.880 1.920 . 0 0 "[ . 1 . 2]" 1
71 1 100 LEU H 1 100 LEU QB 1.800 . 5.000 2.523 2.107 3.003 . 0 0 "[ . 1 . 2]" 1
72 1 100 LEU HA 1 100 LEU QD 1.800 . 5.000 2.998 1.949 3.453 . 0 0 "[ . 1 . 2]" 1
73 1 103 ALA H 1 103 ALA MB 1.800 . 4.200 2.253 2.033 2.328 . 0 0 "[ . 1 . 2]" 1
74 1 104 ALA H 1 104 ALA MB 1.800 . 4.200 2.403 2.271 2.661 . 0 0 "[ . 1 . 2]" 1
75 1 105 ILE H 1 105 ILE HB 1.800 . 4.200 2.940 2.778 3.037 . 0 0 "[ . 1 . 2]" 1
76 1 105 ILE HA 1 105 ILE MG 1.800 . 3.300 2.248 2.173 2.367 . 0 0 "[ . 1 . 2]" 1
77 1 105 ILE HB 1 105 ILE MD 1.800 . 3.300 2.523 2.248 3.246 . 0 0 "[ . 1 . 2]" 1
78 1 105 ILE QG 1 105 ILE MG 1.800 . 4.200 2.296 2.048 2.371 . 0 0 "[ . 1 . 2]" 1
79 1 105 ILE MD 1 105 ILE QG 1.800 . 2.700 1.903 1.867 1.913 . 0 0 "[ . 1 . 2]" 1
80 1 114 ALA H 1 114 ALA MB 1.800 . 4.200 2.421 2.333 2.464 . 0 0 "[ . 1 . 2]" 1
81 1 123 LEU H 1 123 LEU QB 1.800 . 4.200 2.329 2.175 2.535 . 0 0 "[ . 1 . 2]" 1
82 1 129 LEU H 1 129 LEU QB 1.800 . 4.200 2.301 2.152 2.504 . 0 0 "[ . 1 . 2]" 1
83 1 132 LEU HA 1 132 LEU QD 1.800 . 4.200 2.123 2.009 2.213 . 0 0 "[ . 1 . 2]" 1
84 1 132 LEU QB 1 132 LEU QD 1.800 . 5.000 1.973 1.933 2.090 . 0 0 "[ . 1 . 2]" 1
85 1 132 LEU QD 1 132 LEU HG 1.800 . 3.300 1.910 1.900 1.918 . 0 0 "[ . 1 . 2]" 1
86 1 132 LEU H 1 132 LEU QB 1.800 . 5.000 2.269 2.164 2.367 . 0 0 "[ . 1 . 2]" 1
87 1 133 ALA H 1 133 ALA MB 1.800 . 4.200 2.209 2.138 2.246 . 0 0 "[ . 1 . 2]" 1
88 1 135 ILE HA 1 135 ILE MD 1.800 . 3.300 3.292 3.234 3.372 0.072 20 0 "[ . 1 . 2]" 1
89 1 135 ILE HB 1 135 ILE MD 1.800 . 3.300 2.211 2.117 3.215 . 0 0 "[ . 1 . 2]" 1
90 1 135 ILE HA 1 135 ILE MG 1.800 . 2.700 2.333 2.259 3.138 0.438 17 0 "[ . 1 . 2]" 1
91 1 138 VAL HA 1 138 VAL QG 1.800 . 4.200 2.165 2.127 2.209 . 0 0 "[ . 1 . 2]" 1
92 1 138 VAL HB 1 138 VAL QG 1.800 . 2.700 1.907 1.903 1.914 . 0 0 "[ . 1 . 2]" 1
93 1 142 LEU H 1 142 LEU QB 1.800 . 5.000 2.601 2.275 3.068 . 0 0 "[ . 1 . 2]" 1
94 1 142 LEU HA 1 142 LEU QD 1.800 . 3.300 2.363 2.023 2.785 . 0 0 "[ . 1 . 2]" 1
95 1 142 LEU QB 1 142 LEU QD 1.800 . 2.700 1.969 1.913 2.053 . 0 0 "[ . 1 . 2]" 1
96 1 142 LEU QD 1 142 LEU HG 1.800 . 2.700 1.905 1.893 1.918 . 0 0 "[ . 1 . 2]" 1
97 1 149 VAL HB 1 149 VAL QG 1.800 . 2.700 1.904 1.889 1.916 . 0 0 "[ . 1 . 2]" 1
98 1 149 VAL HA 1 149 VAL QG 1.800 . 3.300 2.230 2.110 2.411 . 0 0 "[ . 1 . 2]" 1
99 1 154 LEU H 1 154 LEU QB 1.800 . 5.000 2.350 2.091 3.006 . 0 0 "[ . 1 . 2]" 1
100 1 154 LEU HA 1 154 LEU QD 1.800 . 3.300 2.486 2.101 3.253 . 0 0 "[ . 1 . 2]" 1
101 1 156 ALA H 1 156 ALA MB 1.800 . 3.500 2.285 2.134 2.508 . 0 0 "[ . 1 . 2]" 1
102 1 158 VAL HB 1 158 VAL QG 1.800 . 2.700 1.911 1.899 1.922 . 0 0 "[ . 1 . 2]" 1
103 1 158 VAL HA 1 158 VAL QG 1.800 . 3.300 2.208 2.059 2.527 . 0 0 "[ . 1 . 2]" 1
104 1 159 VAL HB 1 159 VAL QG 1.800 . 2.700 1.911 1.902 1.924 . 0 0 "[ . 1 . 2]" 1
105 1 159 VAL HA 1 159 VAL QG 1.800 . 3.300 2.114 2.064 2.176 . 0 0 "[ . 1 . 2]" 1
106 1 160 PHE H 1 160 PHE QE 1.800 . 6.000 4.225 3.546 5.169 . 0 0 "[ . 1 . 2]" 1
107 1 163 LEU H 1 163 LEU QB 1.800 . 3.500 2.409 2.175 3.036 . 0 0 "[ . 1 . 2]" 1
108 1 163 LEU HA 1 163 LEU QD 1.800 . 3.300 2.295 1.945 3.356 0.056 16 0 "[ . 1 . 2]" 1
109 1 163 LEU QB 1 163 LEU QD 1.800 . 2.700 1.941 1.896 2.045 . 0 0 "[ . 1 . 2]" 1
110 1 163 LEU QD 1 163 LEU HG 1.800 . 2.700 1.911 1.896 1.920 . 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 338
_Distance_constraint_stats_list.Viol_count 1588
_Distance_constraint_stats_list.Viol_total 5810.679
_Distance_constraint_stats_list.Viol_max 0.652
_Distance_constraint_stats_list.Viol_rms 0.0974
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0430
_Distance_constraint_stats_list.Viol_average_violations_only 0.1830
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 4 ASP 0.651 0.186 11 0 "[ . 1 . 2]"
1 5 GLY 0.651 0.186 11 0 "[ . 1 . 2]"
1 8 LYS 7.139 0.380 12 0 "[ . 1 . 2]"
1 9 GLN 7.139 0.380 12 0 "[ . 1 . 2]"
1 10 GLN 0.792 0.252 3 0 "[ . 1 . 2]"
1 11 LEU 0.853 0.252 3 0 "[ . 1 . 2]"
1 12 ASP 3.014 0.294 8 0 "[ . 1 . 2]"
1 13 MET 2.953 0.294 8 0 "[ . 1 . 2]"
1 14 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 LEU 5.766 0.407 2 0 "[ . 1 . 2]"
1 16 VAL 8.421 0.407 2 0 "[ . 1 . 2]"
1 17 LEU 5.203 0.436 2 0 "[ . 1 . 2]"
1 18 ASP 7.519 0.436 2 0 "[ . 1 . 2]"
1 19 GLN 6.643 0.472 4 0 "[ . 1 . 2]"
1 20 ASP 2.337 0.472 4 0 "[ . 1 . 2]"
1 21 LEU 3.244 0.394 20 0 "[ . 1 . 2]"
1 22 THR 5.978 0.394 20 0 "[ . 1 . 2]"
1 23 LYS 4.067 0.360 13 0 "[ . 1 . 2]"
1 24 GLN 0.936 0.239 15 0 "[ . 1 . 2]"
1 25 MET 0.288 0.202 20 0 "[ . 1 . 2]"
1 26 ARG 0.022 0.022 3 0 "[ . 1 . 2]"
1 27 LEU 1.910 0.330 3 0 "[ . 1 . 2]"
1 28 ARG 12.802 0.565 14 1 "[ . 1 +. 2]"
1 29 VAL 11.315 0.565 14 1 "[ . 1 +. 2]"
1 30 GLU 6.851 0.382 20 0 "[ . 1 . 2]"
1 31 SER 6.993 0.382 20 0 "[ . 1 . 2]"
1 32 LEU 2.492 0.331 1 0 "[ . 1 . 2]"
1 33 LYS 1.972 0.331 1 0 "[ . 1 . 2]"
1 34 GLN 1.278 0.093 9 0 "[ . 1 . 2]"
1 35 ARG 7.546 0.463 20 0 "[ . 1 . 2]"
1 36 GLY 6.312 0.463 20 0 "[ . 1 . 2]"
1 37 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 LYS 0.093 0.093 11 0 "[ . 1 . 2]"
1 39 LYS 0.093 0.093 11 0 "[ . 1 . 2]"
1 40 GLN 0.088 0.064 10 0 "[ . 1 . 2]"
1 41 ASP 0.088 0.064 10 0 "[ . 1 . 2]"
1 42 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 GLU 6.090 0.481 5 0 "[ . 1 . 2]"
1 44 LYS 6.515 0.481 5 0 "[ . 1 . 2]"
1 45 LEU 8.309 0.370 12 0 "[ . 1 . 2]"
1 46 LEU 10.460 0.370 12 0 "[ . 1 . 2]"
1 47 ARG 2.576 0.267 13 0 "[ . 1 . 2]"
1 49 ALA 0.405 0.080 20 0 "[ . 1 . 2]"
1 50 GLU 0.405 0.080 20 0 "[ . 1 . 2]"
1 51 SER 3.219 0.464 5 0 "[ . 1 . 2]"
1 52 VAL 3.219 0.464 5 0 "[ . 1 . 2]"
1 53 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 LEU 0.491 0.172 8 0 "[ . 1 . 2]"
1 56 ASP 0.597 0.172 8 0 "[ . 1 . 2]"
1 57 PHE 2.094 0.245 5 0 "[ . 1 . 2]"
1 58 ILE 5.743 0.449 5 0 "[ . 1 . 2]"
1 59 GLN 9.725 0.449 5 0 "[ . 1 . 2]"
1 60 GLN 5.970 0.425 12 0 "[ . 1 . 2]"
1 61 GLN 5.504 0.472 10 0 "[ . 1 . 2]"
1 62 LYS 12.341 0.472 10 0 "[ . 1 . 2]"
1 63 LEU 15.245 0.564 13 3 "[ .- 1 + .* 2]"
1 64 GLN 10.240 0.564 13 3 "[ .- 1 + .* 2]"
1 65 PHE 1.833 0.331 10 0 "[ . 1 . 2]"
1 66 ASP 1.025 0.215 20 0 "[ . 1 . 2]"
1 67 HIS 6.365 0.323 7 0 "[ . 1 . 2]"
1 68 TRP 8.141 0.378 20 0 "[ . 1 . 2]"
1 69 ASN 8.263 0.378 20 0 "[ . 1 . 2]"
1 70 VAL 5.462 0.313 14 0 "[ . 1 . 2]"
1 71 VAL 4.573 0.287 5 0 "[ . 1 . 2]"
1 72 LEU 4.573 0.287 5 0 "[ . 1 . 2]"
1 73 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 LYS 3.204 0.188 2 0 "[ . 1 . 2]"
1 78 VAL 3.320 0.188 2 0 "[ . 1 . 2]"
1 79 THR 2.496 0.160 10 0 "[ . 1 . 2]"
1 80 ILE 2.380 0.160 10 0 "[ . 1 . 2]"
1 81 THR 0.036 0.028 10 0 "[ . 1 . 2]"
1 82 GLY 8.586 0.431 11 0 "[ . 1 . 2]"
1 83 THR 8.636 0.431 11 0 "[ . 1 . 2]"
1 84 SER 0.085 0.067 20 0 "[ . 1 . 2]"
1 86 ASN 2.641 0.296 1 0 "[ . 1 . 2]"
1 87 TRP 5.360 0.335 18 0 "[ . 1 . 2]"
1 88 THR 2.719 0.335 18 0 "[ . 1 . 2]"
1 89 PRO 0.032 0.012 19 0 "[ . 1 . 2]"
1 90 ASP 0.049 0.013 6 0 "[ . 1 . 2]"
1 91 LEU 2.867 0.194 10 0 "[ . 1 . 2]"
1 92 THR 2.850 0.194 10 0 "[ . 1 . 2]"
1 93 ASN 2.693 0.425 15 0 "[ . 1 . 2]"
1 94 LEU 5.904 0.425 15 0 "[ . 1 . 2]"
1 95 MET 3.211 0.343 12 0 "[ . 1 . 2]"
1 96 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 97 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 98 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 99 LEU 3.485 0.376 11 0 "[ . 1 . 2]"
1 100 LEU 4.820 0.376 11 0 "[ . 1 . 2]"
1 101 ASP 1.334 0.371 16 0 "[ . 1 . 2]"
1 102 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 103 ALA 3.495 0.407 15 0 "[ . 1 . 2]"
1 104 ALA 3.495 0.407 15 0 "[ . 1 . 2]"
1 105 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 106 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 107 TRP 0.173 0.092 6 0 "[ . 1 . 2]"
1 108 ARG 1.384 0.111 14 0 "[ . 1 . 2]"
1 109 LYS 4.044 0.214 8 0 "[ . 1 . 2]"
1 110 GLU 13.067 0.442 2 0 "[ . 1 . 2]"
1 111 ASP 15.714 0.442 2 0 "[ . 1 . 2]"
1 112 SER 11.241 0.339 1 0 "[ . 1 . 2]"
1 113 ASP 11.213 0.339 1 0 "[ . 1 . 2]"
1 114 ALA 9.327 0.310 19 0 "[ . 1 . 2]"
1 115 MET 3.875 0.261 2 0 "[ . 1 . 2]"
1 116 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 117 TRP 1.620 0.226 9 0 "[ . 1 . 2]"
1 118 ASN 1.620 0.226 9 0 "[ . 1 . 2]"
1 119 GLU 1.071 0.241 14 0 "[ . 1 . 2]"
1 120 ALA 10.308 0.489 1 0 "[ . 1 . 2]"
1 121 ASP 9.237 0.489 1 0 "[ . 1 . 2]"
1 122 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 123 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 124 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 125 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 126 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 127 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 128 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 129 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 130 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 131 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 132 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 133 ALA 1.486 0.188 15 0 "[ . 1 . 2]"
1 134 LYS 1.486 0.188 15 0 "[ . 1 . 2]"
1 135 ILE 15.262 0.652 17 1 "[ . 1 . + 2]"
1 136 ARG 20.536 0.652 17 1 "[ . 1 . + 2]"
1 137 LYS 6.066 0.310 20 0 "[ . 1 . 2]"
1 138 VAL 3.846 0.383 18 0 "[ . 1 . 2]"
1 139 MET 3.053 0.383 18 0 "[ . 1 . 2]"
1 140 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 141 PHE 2.579 0.378 18 0 "[ . 1 . 2]"
1 142 LEU 2.579 0.378 18 0 "[ . 1 . 2]"
1 143 ILE 0.389 0.258 9 0 "[ . 1 . 2]"
1 144 THR 3.828 0.260 9 0 "[ . 1 . 2]"
1 145 PHE 7.404 0.308 20 0 "[ . 1 . 2]"
1 146 GLY 5.168 0.308 20 0 "[ . 1 . 2]"
1 147 GLU 6.864 0.360 8 0 "[ . 1 . 2]"
1 148 GLY 5.662 0.360 8 0 "[ . 1 . 2]"
1 149 VAL 5.641 0.302 5 0 "[ . 1 . 2]"
1 150 GLU 5.641 0.302 5 0 "[ . 1 . 2]"
1 151 PRO 1.237 0.401 18 0 "[ . 1 . 2]"
1 152 ALA 3.171 0.401 18 0 "[ . 1 . 2]"
1 153 ASN 2.979 0.329 9 0 "[ . 1 . 2]"
1 154 LEU 1.045 0.181 17 0 "[ . 1 . 2]"
1 155 LYS 3.449 0.395 10 0 "[ . 1 . 2]"
1 156 ALA 3.449 0.395 10 0 "[ . 1 . 2]"
1 157 SER 0.309 0.133 12 0 "[ . 1 . 2]"
1 158 VAL 0.309 0.133 12 0 "[ . 1 . 2]"
1 159 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 160 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 161 ASN 2.303 0.334 9 0 "[ . 1 . 2]"
1 162 GLN 8.604 0.365 11 0 "[ . 1 . 2]"
1 163 LEU 6.301 0.365 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 4 ASP H 1 5 GLY H 1.800 . 2.900 2.794 2.126 3.086 0.186 11 0 "[ . 1 . 2]" 2
2 1 8 LYS H 1 9 GLN H 1.800 . 3.500 3.505 2.349 3.847 0.347 11 0 "[ . 1 . 2]" 2
3 1 8 LYS HA 1 9 GLN H 1.800 . 2.900 3.075 2.220 3.280 0.380 12 0 "[ . 1 . 2]" 2
4 1 9 GLN HA 1 10 GLN H 1.800 . 2.900 2.282 2.200 2.451 . 0 0 "[ . 1 . 2]" 2
5 1 10 GLN HA 1 11 LEU H 1.800 . 2.900 2.199 2.092 2.284 . 0 0 "[ . 1 . 2]" 2
6 1 10 GLN QB 1 11 LEU H 1.800 . 3.500 3.276 2.814 3.752 0.252 3 0 "[ . 1 . 2]" 2
7 1 11 LEU H 1 12 ASP H 1.800 . 5.000 3.922 3.672 4.119 . 0 0 "[ . 1 . 2]" 2
8 1 11 LEU H 1 12 ASP HA 1.800 . 5.000 4.817 4.524 5.044 0.044 2 0 "[ . 1 . 2]" 2
9 1 10 GLN H 1 11 LEU H 1.800 . 5.000 4.431 4.214 4.610 . 0 0 "[ . 1 . 2]" 2
10 1 12 ASP H 1 13 MET H 1.800 . 4.200 4.347 4.179 4.494 0.294 8 0 "[ . 1 . 2]" 2
11 1 11 LEU HA 1 12 ASP H 1.800 . 2.900 2.196 2.068 2.279 . 0 0 "[ . 1 . 2]" 2
12 1 11 LEU QD 1 12 ASP H 1.800 . 5.000 2.557 2.227 2.885 . 0 0 "[ . 1 . 2]" 2
13 1 12 ASP HA 1 13 MET H 1.800 . 2.900 2.230 2.167 2.311 . 0 0 "[ . 1 . 2]" 2
14 1 14 PRO HA 1 15 LEU H 1.800 . 2.900 2.299 2.231 2.453 . 0 0 "[ . 1 . 2]" 2
15 1 15 LEU H 1 16 VAL H 1.800 . 4.200 4.488 4.393 4.607 0.407 2 0 "[ . 1 . 2]" 2
16 1 14 PRO QB 1 15 LEU H 1.800 . 4.200 3.302 2.846 3.688 . 0 0 "[ . 1 . 2]" 2
17 1 14 PRO HA 1 15 LEU QD 1.800 . 5.000 3.330 2.324 4.586 . 0 0 "[ . 1 . 2]" 2
18 1 16 VAL H 1 17 LEU H 1.800 . 4.200 4.286 3.927 4.495 0.295 14 0 "[ . 1 . 2]" 2
19 1 16 VAL HA 1 17 LEU H 1.800 . 2.900 2.253 2.109 2.476 . 0 0 "[ . 1 . 2]" 2
20 1 17 LEU H 1 18 ASP H 1.800 . 4.200 4.004 2.838 4.636 0.436 2 0 "[ . 1 . 2]" 2
21 1 17 LEU HA 1 18 ASP H 1.800 . 3.500 2.627 2.209 3.321 . 0 0 "[ . 1 . 2]" 2
22 1 19 GLN H 1 20 ASP H 1.800 . 3.500 3.016 1.864 3.972 0.472 4 0 "[ . 1 . 2]" 2
23 1 18 ASP H 1 19 GLN H 1.800 . 4.200 4.434 3.908 4.591 0.391 1 0 "[ . 1 . 2]" 2
24 1 18 ASP HA 1 19 GLN H 1.800 . 2.900 2.286 2.045 2.517 . 0 0 "[ . 1 . 2]" 2
25 1 19 GLN HA 1 20 ASP H 1.800 . 3.500 3.314 2.084 3.610 0.110 3 0 "[ . 1 . 2]" 2
26 1 20 ASP HA 1 21 LEU H 1.800 . 4.200 3.526 3.356 3.604 . 0 0 "[ . 1 . 2]" 2
27 1 20 ASP QB 1 21 LEU H 1.800 . 3.500 2.789 2.216 3.675 0.175 4 0 "[ . 1 . 2]" 2
28 1 20 ASP H 1 21 LEU H 1.800 . 2.900 2.640 2.196 3.018 0.118 4 0 "[ . 1 . 2]" 2
29 1 21 LEU H 1 22 THR H 1.800 . 2.900 2.599 2.320 2.883 . 0 0 "[ . 1 . 2]" 2
30 1 21 LEU HA 1 22 THR H 1.800 . 5.000 3.538 3.434 3.598 . 0 0 "[ . 1 . 2]" 2
31 1 21 LEU QB 1 22 THR H 1.800 . 3.500 2.675 1.939 3.693 0.193 11 0 "[ . 1 . 2]" 2
32 1 22 THR H 1 23 LYS QB 1.800 . 4.200 4.302 4.204 4.560 0.360 13 0 "[ . 1 . 2]" 2
33 1 21 LEU QD 1 22 THR MG 1.800 . 4.200 4.118 2.681 4.594 0.394 20 0 "[ . 1 . 2]" 2
34 1 22 THR H 1 23 LYS H 1.800 . 2.900 2.531 2.386 2.611 . 0 0 "[ . 1 . 2]" 2
35 1 23 LYS H 1 24 GLN H 1.800 . 2.900 2.645 2.451 2.854 . 0 0 "[ . 1 . 2]" 2
36 1 22 THR HA 1 23 LYS H 1.800 . 5.000 3.480 3.433 3.542 . 0 0 "[ . 1 . 2]" 2
37 1 22 THR HB 1 23 LYS H 1.800 . 3.500 3.218 2.464 3.750 0.250 7 0 "[ . 1 . 2]" 2
38 1 22 THR MG 1 23 LYS H 1.800 . 4.200 3.245 1.797 4.127 0.003 17 0 "[ . 1 . 2]" 2
39 1 23 LYS HA 1 24 GLN H 1.800 . 4.200 3.545 3.397 3.673 . 0 0 "[ . 1 . 2]" 2
40 1 23 LYS QB 1 24 GLN H 1.800 . 2.900 2.823 2.408 3.139 0.239 15 0 "[ . 1 . 2]" 2
41 1 24 GLN H 1 25 MET H 1.800 . 2.900 2.685 2.323 2.889 . 0 0 "[ . 1 . 2]" 2
42 1 24 GLN HA 1 25 MET H 1.800 . 4.200 3.567 3.447 3.615 . 0 0 "[ . 1 . 2]" 2
43 1 24 GLN QB 1 25 MET H 1.800 . 2.900 2.518 1.943 3.102 0.202 20 0 "[ . 1 . 2]" 2
44 1 25 MET H 1 26 ARG H 1.800 . 2.900 2.784 2.644 2.922 0.022 3 0 "[ . 1 . 2]" 2
45 1 26 ARG H 1 27 LEU H 1.800 . 2.900 2.623 2.447 2.847 . 0 0 "[ . 1 . 2]" 2
46 1 25 MET HA 1 26 ARG H 1.800 . 4.200 3.586 3.527 3.617 . 0 0 "[ . 1 . 2]" 2
47 1 25 MET QB 1 26 ARG H 1.800 . 4.200 2.366 1.908 3.162 . 0 0 "[ . 1 . 2]" 2
48 1 26 ARG HA 1 27 LEU H 1.800 . 4.200 3.521 3.466 3.579 . 0 0 "[ . 1 . 2]" 2
49 1 26 ARG QB 1 27 LEU H 1.800 . 4.200 2.627 2.389 3.431 . 0 0 "[ . 1 . 2]" 2
50 1 27 LEU H 1 28 ARG H 1.800 . 2.900 2.628 2.536 2.772 . 0 0 "[ . 1 . 2]" 2
51 1 27 LEU QD 1 28 ARG QB 1.800 . 4.200 4.244 3.634 4.530 0.330 3 0 "[ . 1 . 2]" 2
52 1 27 LEU QB 1 28 ARG H 1.800 . 3.500 2.758 2.567 3.177 . 0 0 "[ . 1 . 2]" 2
53 1 28 ARG H 1 29 VAL HA 1.800 . 5.000 5.123 5.078 5.161 0.161 2 0 "[ . 1 . 2]" 2
54 1 28 ARG H 1 29 VAL H 1.800 . 2.900 2.507 2.422 2.547 . 0 0 "[ . 1 . 2]" 2
55 1 28 ARG HA 1 29 VAL H 1.800 . 4.200 3.468 3.418 3.527 . 0 0 "[ . 1 . 2]" 2
56 1 28 ARG QB 1 29 VAL H 1.800 . 3.500 2.839 2.544 3.124 . 0 0 "[ . 1 . 2]" 2
57 1 28 ARG HA 1 29 VAL QG 1.800 . 4.200 4.621 4.426 4.765 0.565 14 1 "[ . 1 +. 2]" 2
58 1 29 VAL H 1 30 GLU H 1.800 . 2.900 2.554 2.420 2.637 . 0 0 "[ . 1 . 2]" 2
59 1 29 VAL HA 1 30 GLU H 1.800 . 4.200 3.489 3.439 3.531 . 0 0 "[ . 1 . 2]" 2
60 1 29 VAL HB 1 30 GLU H 1.800 . 3.500 2.827 2.548 3.835 0.335 10 0 "[ . 1 . 2]" 2
61 1 30 GLU H 1 31 SER QB 1.800 . 4.200 4.335 4.254 4.448 0.248 6 0 "[ . 1 . 2]" 2
62 1 29 VAL QG 1 30 GLU H 1.800 . 3.500 3.142 1.819 3.404 . 0 0 "[ . 1 . 2]" 2
63 1 30 GLU H 1 31 SER H 1.800 . 2.900 2.479 2.348 2.556 . 0 0 "[ . 1 . 2]" 2
64 1 31 SER H 1 32 LEU H 1.800 . 2.900 2.695 2.587 2.903 0.003 4 0 "[ . 1 . 2]" 2
65 1 31 SER QB 1 32 LEU QD 1.800 . 4.200 3.311 2.224 4.460 0.260 8 0 "[ . 1 . 2]" 2
66 1 30 GLU HA 1 31 SER H 1.800 . 4.200 3.525 3.473 3.567 . 0 0 "[ . 1 . 2]" 2
67 1 30 GLU QB 1 31 SER H 1.800 . 2.900 2.650 2.407 2.939 0.039 20 0 "[ . 1 . 2]" 2
68 1 30 GLU QG 1 31 SER H 1.800 . 3.500 3.684 3.593 3.882 0.382 20 0 "[ . 1 . 2]" 2
69 1 31 SER HA 1 32 LEU H 1.800 . 4.200 3.523 3.455 3.589 . 0 0 "[ . 1 . 2]" 2
70 1 31 SER QB 1 32 LEU H 1.800 . 2.900 2.583 2.407 2.674 . 0 0 "[ . 1 . 2]" 2
71 1 32 LEU H 1 33 LYS H 1.800 . 2.900 2.543 2.346 2.686 . 0 0 "[ . 1 . 2]" 2
72 1 32 LEU QD 1 33 LYS QB 1.800 . 5.000 5.027 4.073 5.331 0.331 1 0 "[ . 1 . 2]" 2
73 1 32 LEU HA 1 33 LYS H 1.800 . 4.200 3.521 3.455 3.569 . 0 0 "[ . 1 . 2]" 2
74 1 32 LEU QB 1 33 LYS H 1.800 . 3.500 2.831 2.525 3.662 0.162 10 0 "[ . 1 . 2]" 2
75 1 32 LEU QD 1 33 LYS H 1.800 . 6.000 3.945 3.209 4.256 . 0 0 "[ . 1 . 2]" 2
76 1 33 LYS H 1 34 GLN H 1.800 . 2.900 2.632 2.452 2.880 . 0 0 "[ . 1 . 2]" 2
77 1 33 LYS HA 1 34 GLN H 1.800 . 4.200 3.468 3.202 3.617 . 0 0 "[ . 1 . 2]" 2
78 1 33 LYS QB 1 34 GLN H 1.800 . 3.500 3.008 2.565 3.544 0.044 4 0 "[ . 1 . 2]" 2
79 1 34 GLN H 1 35 ARG H 1.800 . 3.500 2.729 2.175 2.952 . 0 0 "[ . 1 . 2]" 2
80 1 34 GLN HA 1 35 ARG H 1.800 . 3.500 3.557 3.450 3.593 0.093 9 0 "[ . 1 . 2]" 2
81 1 34 GLN QB 1 35 ARG H 1.800 . 5.000 2.290 1.819 3.047 . 0 0 "[ . 1 . 2]" 2
82 1 35 ARG H 1 36 GLY QA 1.800 . 3.500 3.816 3.693 3.963 0.463 20 0 "[ . 1 . 2]" 2
83 1 35 ARG HA 1 36 GLY H 1.800 . 3.500 3.100 2.581 3.431 . 0 0 "[ . 1 . 2]" 2
84 1 36 GLY QA 1 37 GLU H 1.800 . 3.500 2.339 2.112 2.944 . 0 0 "[ . 1 . 2]" 2
85 1 37 GLU HA 1 38 LYS H 1.800 . 4.200 3.090 2.336 3.602 . 0 0 "[ . 1 . 2]" 2
86 1 38 LYS H 1 39 LYS H 1.800 . 5.000 3.314 1.707 4.548 0.093 11 0 "[ . 1 . 2]" 2
87 1 40 GLN HA 1 41 ASP H 1.800 . 3.500 2.639 2.166 3.564 0.064 10 0 "[ . 1 . 2]" 2
88 1 43 GLU H 1 44 LYS H 1.800 . 3.500 3.804 3.698 3.981 0.481 5 0 "[ . 1 . 2]" 2
89 1 42 GLY QA 1 43 GLU H 1.800 . 4.200 2.327 2.153 2.701 . 0 0 "[ . 1 . 2]" 2
90 1 43 GLU HA 1 44 LYS H 1.800 . 2.900 2.257 2.136 2.326 . 0 0 "[ . 1 . 2]" 2
91 1 44 LYS H 1 45 LEU H 1.800 . 5.000 3.373 2.675 3.676 . 0 0 "[ . 1 . 2]" 2
92 1 45 LEU H 1 46 LEU H 1.800 . 4.200 4.348 4.219 4.480 0.280 3 0 "[ . 1 . 2]" 2
93 1 45 LEU QD 1 46 LEU HA 1.800 . 3.300 3.546 3.392 3.670 0.370 12 0 "[ . 1 . 2]" 2
94 1 44 LYS HA 1 45 LEU H 1.800 . 2.900 2.730 2.486 3.050 0.150 16 0 "[ . 1 . 2]" 2
95 1 45 LEU HA 1 46 LEU H 1.800 . 2.900 2.216 2.158 2.306 . 0 0 "[ . 1 . 2]" 2
96 1 46 LEU H 1 47 ARG H 1.800 . 4.200 4.329 4.227 4.467 0.267 13 0 "[ . 1 . 2]" 2
97 1 46 LEU HA 1 47 ARG H 1.800 . 2.900 2.169 2.052 2.235 . 0 0 "[ . 1 . 2]" 2
98 1 49 ALA H 1 50 GLU H 1.800 . 2.900 2.727 2.128 2.980 0.080 20 0 "[ . 1 . 2]" 2
99 1 49 ALA HA 1 50 GLU H 1.800 . 3.500 2.557 2.322 3.070 . 0 0 "[ . 1 . 2]" 2
100 1 50 GLU HA 1 51 SER H 1.800 . 2.900 2.197 2.110 2.279 . 0 0 "[ . 1 . 2]" 2
101 1 51 SER HA 1 52 VAL H 1.800 . 2.900 2.388 2.163 2.573 . 0 0 "[ . 1 . 2]" 2
102 1 51 SER QB 1 52 VAL QG 1.800 . 4.200 4.353 4.129 4.664 0.464 5 0 "[ . 1 . 2]" 2
103 1 52 VAL HA 1 53 TYR H 1.800 . 2.900 2.349 2.242 2.492 . 0 0 "[ . 1 . 2]" 2
104 1 54 ARG H 1 55 LEU H 1.800 . 5.000 4.175 3.935 4.408 . 0 0 "[ . 1 . 2]" 2
105 1 53 TYR HA 1 54 ARG H 1.800 . 2.900 2.260 2.191 2.336 . 0 0 "[ . 1 . 2]" 2
106 1 53 TYR QB 1 54 ARG H 1.800 . 4.200 3.526 2.700 3.874 . 0 0 "[ . 1 . 2]" 2
107 1 54 ARG HA 1 55 LEU H 1.800 . 2.900 2.081 2.037 2.142 . 0 0 "[ . 1 . 2]" 2
108 1 55 LEU H 1 56 ASP H 1.800 . 5.000 4.378 4.190 4.473 . 0 0 "[ . 1 . 2]" 2
109 1 55 LEU HA 1 56 ASP H 1.800 . 2.900 2.411 2.207 2.558 . 0 0 "[ . 1 . 2]" 2
110 1 55 LEU QD 1 56 ASP H 1.800 . 3.500 2.006 1.628 2.977 0.172 8 0 "[ . 1 . 2]" 2
111 1 57 PHE H 1 58 ILE H 1.800 . 4.200 4.297 4.159 4.445 0.245 5 0 "[ . 1 . 2]" 2
112 1 56 ASP HA 1 57 PHE H 1.800 . 2.900 2.396 2.161 2.647 . 0 0 "[ . 1 . 2]" 2
113 1 56 ASP QB 1 57 PHE H 1.800 . 3.500 2.885 2.310 3.606 0.106 14 0 "[ . 1 . 2]" 2
114 1 58 ILE H 1 59 GLN H 1.800 . 3.500 2.544 1.995 3.711 0.211 16 0 "[ . 1 . 2]" 2
115 1 57 PHE HA 1 58 ILE H 1.800 . 2.900 2.096 2.026 2.192 . 0 0 "[ . 1 . 2]" 2
116 1 57 PHE QB 1 58 ILE H 1.800 . 4.200 3.809 3.449 3.967 . 0 0 "[ . 1 . 2]" 2
117 1 59 GLN H 1 60 GLN H 1.800 . 4.200 4.059 3.017 4.450 0.250 11 0 "[ . 1 . 2]" 2
118 1 58 ILE QG 1 59 GLN H 1.800 . 5.000 3.454 1.633 4.620 0.167 18 0 "[ . 1 . 2]" 2
119 1 58 ILE MG 1 59 GLN H 1.800 . 3.500 3.530 2.499 3.949 0.449 5 0 "[ . 1 . 2]" 2
120 1 58 ILE HB 1 59 GLN H 1.800 . 4.200 3.582 1.951 4.410 0.210 13 0 "[ . 1 . 2]" 2
121 1 59 GLN HA 1 60 GLN H 1.800 . 2.900 2.426 1.972 3.146 0.246 5 0 "[ . 1 . 2]" 2
122 1 59 GLN QB 1 60 GLN H 1.800 . 3.500 3.302 1.699 3.925 0.425 12 0 "[ . 1 . 2]" 2
123 1 62 LYS H 1 63 LEU H 1.800 . 3.500 2.290 1.878 3.293 . 0 0 "[ . 1 . 2]" 2
124 1 61 GLN HA 1 62 LYS H 1.800 . 2.900 3.175 3.049 3.372 0.472 10 0 "[ . 1 . 2]" 2
125 1 62 LYS HA 1 63 LEU H 1.800 . 2.900 3.130 2.934 3.307 0.407 9 0 "[ . 1 . 2]" 2
126 1 63 LEU QD 1 64 GLN HA 1.800 . 5.000 3.511 2.583 4.582 . 0 0 "[ . 1 . 2]" 2
127 1 63 LEU QD 1 64 GLN QB 1.800 . 3.300 3.579 3.364 3.864 0.564 13 3 "[ .- 1 + .* 2]" 2
128 1 62 LYS QE 1 63 LEU QD 1.800 . 5.000 4.978 4.146 5.459 0.459 12 0 "[ . 1 . 2]" 2
129 1 63 LEU HA 1 64 GLN H 1.800 . 2.900 2.299 2.034 3.120 0.220 10 0 "[ . 1 . 2]" 2
130 1 63 LEU QB 1 64 GLN H 1.800 . 5.000 3.434 2.056 4.100 . 0 0 "[ . 1 . 2]" 2
131 1 64 GLN H 1 65 PHE H 1.800 . 4.200 2.998 1.648 3.988 0.152 20 0 "[ . 1 . 2]" 2
132 1 63 LEU H 1 64 GLN H 1.800 . 4.200 4.023 2.474 4.491 0.291 5 0 "[ . 1 . 2]" 2
133 1 65 PHE H 1 66 ASP H 1.800 . 5.000 4.300 3.935 4.648 . 0 0 "[ . 1 . 2]" 2
134 1 64 GLN HA 1 65 PHE H 1.800 . 2.900 2.753 2.255 3.231 0.331 10 0 "[ . 1 . 2]" 2
135 1 66 ASP H 1 67 HIS H 1.800 . 4.200 3.116 2.217 4.415 0.215 20 0 "[ . 1 . 2]" 2
136 1 65 PHE HA 1 66 ASP H 1.800 . 3.500 2.286 2.221 2.418 . 0 0 "[ . 1 . 2]" 2
137 1 67 HIS H 1 68 TRP H 1.800 . 4.200 4.418 4.237 4.523 0.323 7 0 "[ . 1 . 2]" 2
138 1 67 HIS H 1 68 TRP HE1 1.800 . 5.000 4.999 4.536 5.217 0.217 14 0 "[ . 1 . 2]" 2
139 1 66 ASP HA 1 67 HIS H 1.800 . 4.200 3.183 2.183 3.703 . 0 0 "[ . 1 . 2]" 2
140 1 66 ASP QB 1 67 HIS H 1.800 . 4.200 2.706 1.770 3.931 0.030 14 0 "[ . 1 . 2]" 2
141 1 67 HIS HA 1 68 TRP H 1.800 . 2.900 2.178 2.079 2.512 . 0 0 "[ . 1 . 2]" 2
142 1 67 HIS QB 1 68 TRP H 1.800 . 5.000 3.196 2.451 3.914 . 0 0 "[ . 1 . 2]" 2
143 1 68 TRP HA 1 69 ASN H 1.800 . 2.900 2.361 2.192 2.537 . 0 0 "[ . 1 . 2]" 2
144 1 68 TRP H 1 69 ASN H 1.800 . 3.500 3.597 3.041 3.878 0.378 20 0 "[ . 1 . 2]" 2
145 1 69 ASN H 1 70 VAL QG 1.800 . 3.500 3.695 3.577 3.813 0.313 14 0 "[ . 1 . 2]" 2
146 1 69 ASN H 1 70 VAL H 1.800 . 4.200 4.278 4.214 4.371 0.171 2 0 "[ . 1 . 2]" 2
147 1 69 ASN HA 1 70 VAL H 1.800 . 2.900 2.189 2.147 2.236 . 0 0 "[ . 1 . 2]" 2
148 1 69 ASN HA 1 70 VAL QG 1.800 . 5.000 3.325 3.105 3.716 . 0 0 "[ . 1 . 2]" 2
149 1 70 VAL HA 1 71 VAL H 1.800 . 2.900 2.277 2.161 2.502 . 0 0 "[ . 1 . 2]" 2
150 1 71 VAL H 1 72 LEU H 1.800 . 4.200 4.429 4.391 4.487 0.287 5 0 "[ . 1 . 2]" 2
151 1 71 VAL HA 1 72 LEU H 1.800 . 2.900 2.322 2.272 2.403 . 0 0 "[ . 1 . 2]" 2
152 1 71 VAL HB 1 72 LEU H 1.800 . 4.200 3.366 2.170 4.113 . 0 0 "[ . 1 . 2]" 2
153 1 72 LEU HA 1 73 ASP H 1.800 . 2.900 2.417 2.298 2.533 . 0 0 "[ . 1 . 2]" 2
154 1 73 ASP H 1 74 LYS H 1.800 . 3.500 2.781 2.626 3.019 . 0 0 "[ . 1 . 2]" 2
155 1 73 ASP HA 1 74 LYS H 1.800 . 3.500 3.257 3.133 3.366 . 0 0 "[ . 1 . 2]" 2
156 1 73 ASP QB 1 74 LYS H 1.800 . 4.200 3.618 3.398 3.936 . 0 0 "[ . 1 . 2]" 2
157 1 75 PRO HA 1 76 GLY H 1.800 . 3.500 2.277 2.239 2.338 . 0 0 "[ . 1 . 2]" 2
158 1 75 PRO QB 1 76 GLY H 1.800 . 4.200 3.613 3.491 3.761 . 0 0 "[ . 1 . 2]" 2
159 1 76 GLY QA 1 77 LYS H 1.800 . 2.900 2.195 2.147 2.304 . 0 0 "[ . 1 . 2]" 2
160 1 77 LYS H 1 78 VAL H 1.800 . 4.200 4.360 4.328 4.388 0.188 2 0 "[ . 1 . 2]" 2
161 1 77 LYS HA 1 78 VAL H 1.800 . 2.900 2.503 2.225 2.614 . 0 0 "[ . 1 . 2]" 2
162 1 78 VAL HA 1 79 THR H 1.800 . 2.900 2.355 2.234 2.462 . 0 0 "[ . 1 . 2]" 2
163 1 78 VAL QG 1 79 THR H 1.800 . 3.500 2.457 1.750 3.313 0.050 20 0 "[ . 1 . 2]" 2
164 1 79 THR H 1 80 ILE H 1.800 . 5.000 4.378 4.210 4.440 . 0 0 "[ . 1 . 2]" 2
165 1 79 THR HA 1 80 ILE H 1.800 . 2.900 2.070 2.018 2.101 . 0 0 "[ . 1 . 2]" 2
166 1 79 THR MG 1 80 ILE HB 1.800 . 4.200 4.277 4.146 4.360 0.160 10 0 "[ . 1 . 2]" 2
167 1 79 THR MG 1 80 ILE MD 1.800 . 5.000 4.411 3.867 5.158 0.158 3 0 "[ . 1 . 2]" 2
168 1 79 THR MG 1 80 ILE MG 1.800 . 5.000 4.683 4.541 4.859 . 0 0 "[ . 1 . 2]" 2
169 1 80 ILE HA 1 81 THR H 1.800 . 2.900 2.235 2.196 2.284 . 0 0 "[ . 1 . 2]" 2
170 1 80 ILE MG 1 81 THR H 1.800 . 3.500 2.845 2.455 3.220 . 0 0 "[ . 1 . 2]" 2
171 1 81 THR HA 1 82 GLY H 1.800 . 2.900 2.221 2.136 2.437 . 0 0 "[ . 1 . 2]" 2
172 1 81 THR HB 1 82 GLY H 1.800 . 4.200 4.023 3.442 4.207 0.007 1 0 "[ . 1 . 2]" 2
173 1 81 THR MG 1 82 GLY H 1.800 . 3.500 2.291 1.772 2.719 0.028 10 0 "[ . 1 . 2]" 2
174 1 82 GLY H 1 83 THR H 1.800 . 4.200 4.413 4.150 4.495 0.295 14 0 "[ . 1 . 2]" 2
175 1 82 GLY H 1 83 THR MG 1.800 . 4.200 4.279 3.571 4.631 0.431 11 0 "[ . 1 . 2]" 2
176 1 82 GLY QA 1 83 THR H 1.800 . 3.500 2.230 2.092 2.312 . 0 0 "[ . 1 . 2]" 2
177 1 82 GLY QA 1 83 THR MG 1.800 . 4.200 3.022 2.644 3.830 . 0 0 "[ . 1 . 2]" 2
178 1 83 THR HA 1 84 SER H 1.800 . 3.500 2.382 2.136 2.526 . 0 0 "[ . 1 . 2]" 2
179 1 83 THR HB 1 84 SER H 1.800 . 3.500 2.919 2.103 3.567 0.067 20 0 "[ . 1 . 2]" 2
180 1 86 ASN H 1 87 TRP H 1.800 . 3.500 3.043 2.278 3.685 0.185 14 0 "[ . 1 . 2]" 2
181 1 86 ASN H 1 87 TRP HA 1.800 . 5.000 4.719 4.106 5.072 0.072 10 0 "[ . 1 . 2]" 2
182 1 87 TRP H 1 88 THR H 1.800 . 4.200 4.238 3.793 4.439 0.239 2 0 "[ . 1 . 2]" 2
183 1 86 ASN HA 1 87 TRP H 1.800 . 2.900 2.761 2.302 3.196 0.296 1 0 "[ . 1 . 2]" 2
184 1 87 TRP HA 1 88 THR H 1.800 . 2.900 2.497 2.115 3.235 0.335 18 0 "[ . 1 . 2]" 2
185 1 90 ASP H 1 91 LEU H 1.800 . 2.900 2.668 2.272 2.913 0.013 6 0 "[ . 1 . 2]" 2
186 1 89 PRO HA 1 90 ASP H 1.800 . 3.500 3.402 3.285 3.481 . 0 0 "[ . 1 . 2]" 2
187 1 89 PRO QB 1 90 ASP H 1.800 . 3.500 3.301 3.016 3.512 0.012 19 0 "[ . 1 . 2]" 2
188 1 90 ASP HA 1 91 LEU H 1.800 . 4.200 3.576 3.537 3.610 . 0 0 "[ . 1 . 2]" 2
189 1 90 ASP QB 1 91 LEU H 1.800 . 3.500 2.325 1.942 3.374 . 0 0 "[ . 1 . 2]" 2
190 1 91 LEU H 1 92 THR H 1.800 . 2.900 2.283 1.972 2.700 . 0 0 "[ . 1 . 2]" 2
191 1 91 LEU HA 1 92 THR H 1.800 . 3.500 3.498 3.428 3.562 0.062 3 0 "[ . 1 . 2]" 2
192 1 91 LEU QB 1 92 THR H 1.800 . 2.900 2.858 2.336 3.042 0.142 11 0 "[ . 1 . 2]" 2
193 1 91 LEU HG 1 92 THR MG 1.800 . 4.200 4.279 4.184 4.394 0.194 10 0 "[ . 1 . 2]" 2
194 1 93 ASN HA 1 94 LEU H 1.800 . 2.900 3.030 2.862 3.325 0.425 15 0 "[ . 1 . 2]" 2
195 1 93 ASN QB 1 94 LEU H 1.800 . 4.200 2.483 1.779 3.870 0.021 7 0 "[ . 1 . 2]" 2
196 1 94 LEU H 1 95 MET H 1.800 . 4.200 4.287 2.984 4.543 0.343 12 0 "[ . 1 . 2]" 2
197 1 95 MET H 1 96 THR H 1.800 . 5.000 4.487 3.937 4.658 . 0 0 "[ . 1 . 2]" 2
198 1 94 LEU HA 1 95 MET H 1.800 . 3.500 2.313 2.117 3.580 0.080 5 0 "[ . 1 . 2]" 2
199 1 95 MET HA 1 96 THR H 1.800 . 2.900 2.382 2.144 2.594 . 0 0 "[ . 1 . 2]" 2
200 1 97 ARG H 1 98 GLN H 1.800 . 3.500 2.340 1.838 2.878 . 0 0 "[ . 1 . 2]" 2
201 1 98 GLN H 1 99 LEU H 1.800 . 2.900 2.438 1.907 2.877 . 0 0 "[ . 1 . 2]" 2
202 1 99 LEU HA 1 100 LEU H 1.800 . 2.900 2.517 2.179 2.985 0.085 13 0 "[ . 1 . 2]" 2
203 1 99 LEU QD 1 100 LEU H 1.800 . 3.500 3.517 2.795 3.876 0.376 11 0 "[ . 1 . 2]" 2
204 1 99 LEU QB 1 100 LEU QD 1.800 . 4.200 3.761 2.453 4.353 0.153 11 0 "[ . 1 . 2]" 2
205 1 100 LEU HA 1 101 ASP H 1.800 . 2.900 2.319 2.103 2.561 . 0 0 "[ . 1 . 2]" 2
206 1 100 LEU QB 1 101 ASP H 1.800 . 3.500 3.127 2.061 3.871 0.371 16 0 "[ . 1 . 2]" 2
207 1 102 PRO HA 1 103 ALA H 1.800 . 2.900 2.317 2.100 2.452 . 0 0 "[ . 1 . 2]" 2
208 1 103 ALA HA 1 104 ALA H 1.800 . 2.900 2.164 2.047 2.484 . 0 0 "[ . 1 . 2]" 2
209 1 103 ALA MB 1 104 ALA H 1.800 . 2.900 3.007 2.356 3.307 0.407 15 0 "[ . 1 . 2]" 2
210 1 104 ALA HA 1 105 ILE H 1.800 . 2.900 2.299 2.197 2.383 . 0 0 "[ . 1 . 2]" 2
211 1 105 ILE HA 1 106 PHE H 1.800 . 2.900 2.198 2.122 2.293 . 0 0 "[ . 1 . 2]" 2
212 1 106 PHE HA 1 107 TRP H 1.800 . 2.900 2.323 2.254 2.470 . 0 0 "[ . 1 . 2]" 2
213 1 107 TRP HA 1 108 ARG H 1.800 . 2.900 2.202 2.131 2.298 . 0 0 "[ . 1 . 2]" 2
214 1 107 TRP QB 1 108 ARG H 1.800 . 3.500 3.399 2.990 3.592 0.092 6 0 "[ . 1 . 2]" 2
215 1 108 ARG H 1 109 LYS H 1.800 . 4.200 4.261 4.201 4.311 0.111 14 0 "[ . 1 . 2]" 2
216 1 108 ARG HA 1 109 LYS H 1.800 . 2.900 2.170 2.107 2.226 . 0 0 "[ . 1 . 2]" 2
217 1 109 LYS HA 1 110 GLU H 1.800 . 4.200 2.151 2.080 2.195 . 0 0 "[ . 1 . 2]" 2
218 1 110 GLU H 1 111 ASP H 1.800 . 3.500 2.263 2.114 2.364 . 0 0 "[ . 1 . 2]" 2
219 1 109 LYS H 1 110 GLU H 1.800 . 4.200 4.342 4.288 4.414 0.214 8 0 "[ . 1 . 2]" 2
220 1 111 ASP H 1 112 SER H 1.800 . 2.900 2.003 1.944 2.170 . 0 0 "[ . 1 . 2]" 2
221 1 110 GLU HA 1 111 ASP H 1.800 . 2.900 3.314 3.285 3.342 0.442 2 0 "[ . 1 . 2]" 2
222 1 110 GLU QB 1 111 ASP H 1.800 . 2.900 2.998 2.915 3.339 0.439 8 0 "[ . 1 . 2]" 2
223 1 111 ASP H 1 112 SER QB 1.800 . 4.200 3.902 3.824 4.112 . 0 0 "[ . 1 . 2]" 2
224 1 112 SER H 1 113 ASP H 1.800 . 2.900 3.188 3.138 3.239 0.339 1 0 "[ . 1 . 2]" 2
225 1 111 ASP HA 1 112 SER H 1.800 . 2.900 3.174 3.145 3.192 0.292 5 0 "[ . 1 . 2]" 2
226 1 111 ASP QB 1 112 SER H 1.800 . 4.200 3.247 3.053 3.695 . 0 0 "[ . 1 . 2]" 2
227 1 113 ASP H 1 114 ALA H 1.800 . 3.500 3.404 3.332 3.509 0.009 18 0 "[ . 1 . 2]" 2
228 1 113 ASP HA 1 114 ALA H 1.800 . 2.900 2.635 2.538 2.723 . 0 0 "[ . 1 . 2]" 2
229 1 113 ASP QB 1 114 ALA H 1.800 . 3.500 3.772 3.736 3.810 0.310 19 0 "[ . 1 . 2]" 2
230 1 114 ALA H 1 115 MET H 1.800 . 4.200 4.394 4.283 4.461 0.261 2 0 "[ . 1 . 2]" 2
231 1 114 ALA HA 1 115 MET H 1.800 . 2.900 2.164 2.122 2.232 . 0 0 "[ . 1 . 2]" 2
232 1 115 MET HA 1 116 ASP H 1.800 . 2.900 2.173 2.132 2.205 . 0 0 "[ . 1 . 2]" 2
233 1 116 ASP HA 1 117 TRP H 1.800 . 2.900 2.227 2.178 2.274 . 0 0 "[ . 1 . 2]" 2
234 1 117 TRP HD1 1 118 ASN QB 1.800 . 4.200 4.226 3.739 4.426 0.226 9 0 "[ . 1 . 2]" 2
235 1 117 TRP HA 1 118 ASN H 1.800 . 3.500 2.303 2.189 2.360 . 0 0 "[ . 1 . 2]" 2
236 1 119 GLU H 1 120 ALA H 1.800 . 3.500 2.451 2.382 2.581 . 0 0 "[ . 1 . 2]" 2
237 1 118 ASN HA 1 119 GLU H 1.800 . 2.900 2.176 2.128 2.206 . 0 0 "[ . 1 . 2]" 2
238 1 120 ALA H 1 121 ASP H 1.800 . 2.900 2.661 2.503 2.793 . 0 0 "[ . 1 . 2]" 2
239 1 119 GLU QB 1 120 ALA H 1.800 . 2.900 2.785 2.466 3.141 0.241 14 0 "[ . 1 . 2]" 2
240 1 121 ASP H 1 122 ALA H 1.800 . 2.900 2.237 2.091 2.347 . 0 0 "[ . 1 . 2]" 2
241 1 120 ALA HA 1 121 ASP H 1.800 . 2.900 3.362 3.326 3.389 0.489 1 0 "[ . 1 . 2]" 2
242 1 120 ALA MB 1 121 ASP H 1.800 . 2.900 2.703 2.595 2.841 . 0 0 "[ . 1 . 2]" 2
243 1 122 ALA H 1 123 LEU H 1.800 . 2.900 2.558 2.422 2.629 . 0 0 "[ . 1 . 2]" 2
244 1 122 ALA HA 1 123 LEU H 1.800 . 4.200 3.543 3.462 3.600 . 0 0 "[ . 1 . 2]" 2
245 1 122 ALA MB 1 123 LEU H 1.800 . 3.500 2.827 2.684 3.046 . 0 0 "[ . 1 . 2]" 2
246 1 123 LEU H 1 124 GLU H 1.800 . 2.900 2.661 2.558 2.763 . 0 0 "[ . 1 . 2]" 2
247 1 123 LEU HA 1 124 GLU H 1.800 . 4.200 3.552 3.531 3.574 . 0 0 "[ . 1 . 2]" 2
248 1 123 LEU QB 1 124 GLU H 1.800 . 5.000 2.482 2.352 2.782 . 0 0 "[ . 1 . 2]" 2
249 1 124 GLU H 1 125 PHE H 1.800 . 2.900 2.584 2.505 2.719 . 0 0 "[ . 1 . 2]" 2
250 1 124 GLU QB 1 125 PHE H 1.800 . 3.500 2.652 2.559 2.896 . 0 0 "[ . 1 . 2]" 2
251 1 125 PHE H 1 126 GLY H 1.800 . 2.900 2.565 2.431 2.652 . 0 0 "[ . 1 . 2]" 2
252 1 125 PHE HA 1 126 GLY H 1.800 . 5.000 3.490 3.414 3.571 . 0 0 "[ . 1 . 2]" 2
253 1 125 PHE QB 1 126 GLY H 1.800 . 4.200 2.981 2.662 3.232 . 0 0 "[ . 1 . 2]" 2
254 1 126 GLY H 1 127 GLU H 1.800 . 2.900 2.630 2.540 2.774 . 0 0 "[ . 1 . 2]" 2
255 1 126 GLY QA 1 127 GLU H 1.800 . 4.200 2.690 2.656 2.728 . 0 0 "[ . 1 . 2]" 2
256 1 127 GLU H 1 128 ARG H 1.800 . 2.900 2.607 2.524 2.659 . 0 0 "[ . 1 . 2]" 2
257 1 128 ARG H 1 129 LEU H 1.800 . 2.900 2.664 2.548 2.810 . 0 0 "[ . 1 . 2]" 2
258 1 127 GLU HA 1 128 ARG H 1.800 . 4.200 3.549 3.519 3.572 . 0 0 "[ . 1 . 2]" 2
259 1 127 GLU QB 1 128 ARG H 1.800 . 2.900 2.649 2.537 2.763 . 0 0 "[ . 1 . 2]" 2
260 1 128 ARG HA 1 129 LEU H 1.800 . 4.200 3.510 3.452 3.564 . 0 0 "[ . 1 . 2]" 2
261 1 128 ARG QB 1 129 LEU H 1.800 . 3.500 2.898 2.685 3.131 . 0 0 "[ . 1 . 2]" 2
262 1 129 LEU H 1 130 SER H 1.800 . 2.900 2.674 2.577 2.795 . 0 0 "[ . 1 . 2]" 2
263 1 129 LEU HA 1 130 SER H 1.800 . 5.000 3.551 3.526 3.587 . 0 0 "[ . 1 . 2]" 2
264 1 129 LEU QB 1 130 SER H 1.800 . 4.200 2.607 2.424 3.358 . 0 0 "[ . 1 . 2]" 2
265 1 130 SER H 1 131 ASP H 1.800 . 2.900 2.649 2.582 2.719 . 0 0 "[ . 1 . 2]" 2
266 1 130 SER HA 1 131 ASP H 1.800 . 4.200 3.544 3.513 3.567 . 0 0 "[ . 1 . 2]" 2
267 1 130 SER QB 1 131 ASP H 1.800 . 3.500 2.956 2.546 3.457 . 0 0 "[ . 1 . 2]" 2
268 1 131 ASP H 1 132 LEU H 1.800 . 2.900 2.732 2.603 2.860 . 0 0 "[ . 1 . 2]" 2
269 1 131 ASP HA 1 132 LEU H 1.800 . 5.000 3.556 3.513 3.597 . 0 0 "[ . 1 . 2]" 2
270 1 131 ASP QB 1 132 LEU H 1.800 . 3.500 2.682 2.566 2.875 . 0 0 "[ . 1 . 2]" 2
271 1 132 LEU H 1 133 ALA H 1.800 . 2.900 2.689 2.585 2.829 . 0 0 "[ . 1 . 2]" 2
272 1 132 LEU QB 1 133 ALA H 1.800 . 4.200 2.665 2.444 3.095 . 0 0 "[ . 1 . 2]" 2
273 1 133 ALA HA 1 134 LYS QE 1.800 . 4.200 4.242 4.140 4.335 0.135 3 0 "[ . 1 . 2]" 2
274 1 133 ALA MB 1 134 LYS QE 1.800 . 2.700 2.392 2.098 2.652 . 0 0 "[ . 1 . 2]" 2
275 1 133 ALA H 1 134 LYS H 1.800 . 2.900 2.718 2.602 2.796 . 0 0 "[ . 1 . 2]" 2
276 1 133 ALA HA 1 134 LYS H 1.800 . 4.200 3.442 3.318 3.511 . 0 0 "[ . 1 . 2]" 2
277 1 133 ALA MB 1 134 LYS H 1.800 . 2.900 2.890 2.623 3.088 0.188 15 0 "[ . 1 . 2]" 2
278 1 134 LYS H 1 135 ILE H 1.800 . 2.900 2.041 1.834 2.236 . 0 0 "[ . 1 . 2]" 2
279 1 135 ILE H 1 136 ARG H 1.800 . 2.900 2.340 2.128 2.572 . 0 0 "[ . 1 . 2]" 2
280 1 134 LYS HA 1 135 ILE H 1.800 . 5.000 3.439 3.358 3.487 . 0 0 "[ . 1 . 2]" 2
281 1 136 ARG H 1 137 LYS H 1.800 . 4.200 2.848 2.806 2.933 . 0 0 "[ . 1 . 2]" 2
282 1 135 ILE HA 1 136 ARG H 1.800 . 3.500 2.865 2.630 3.078 . 0 0 "[ . 1 . 2]" 2
283 1 135 ILE HB 1 136 ARG H 1.800 . 3.500 3.801 3.518 4.152 0.652 17 1 "[ . 1 . + 2]" 2
284 1 135 ILE MD 1 136 ARG H 1.800 . 4.200 4.126 3.992 4.296 0.096 18 0 "[ . 1 . 2]" 2
285 1 135 ILE MG 1 136 ARG H 1.800 . 3.500 3.947 3.428 4.000 0.500 10 0 "[ . 1 . 2]" 2
286 1 136 ARG H 1 137 LYS HA 1.800 . 5.000 5.264 5.215 5.310 0.310 20 0 "[ . 1 . 2]" 2
287 1 136 ARG HA 1 137 LYS H 1.800 . 3.500 3.346 3.268 3.414 . 0 0 "[ . 1 . 2]" 2
288 1 137 LYS H 1 138 VAL H 1.800 . 3.500 2.739 2.608 2.879 . 0 0 "[ . 1 . 2]" 2
289 1 137 LYS H 1 138 VAL QG 1.800 . 5.000 4.022 3.858 4.206 . 0 0 "[ . 1 . 2]" 2
290 1 137 LYS HA 1 138 VAL H 1.800 . 3.500 3.540 3.502 3.566 0.066 16 0 "[ . 1 . 2]" 2
291 1 138 VAL HA 1 139 MET H 1.800 . 2.900 2.408 2.235 2.532 . 0 0 "[ . 1 . 2]" 2
292 1 138 VAL HB 1 139 MET H 1.800 . 2.900 2.538 2.182 3.057 0.157 4 0 "[ . 1 . 2]" 2
293 1 138 VAL QG 1 139 MET H 1.800 . 2.900 3.001 2.157 3.283 0.383 18 0 "[ . 1 . 2]" 2
294 1 139 MET HA 1 140 TYR H 1.800 . 2.900 2.223 2.135 2.305 . 0 0 "[ . 1 . 2]" 2
295 1 140 TYR HA 1 141 PHE H 1.800 . 2.900 2.312 2.197 2.481 . 0 0 "[ . 1 . 2]" 2
296 1 141 PHE HA 1 142 LEU H 1.800 . 2.900 2.505 2.433 2.590 . 0 0 "[ . 1 . 2]" 2
297 1 141 PHE QB 1 142 LEU QD 1.800 . 3.300 3.367 2.841 3.678 0.378 18 0 "[ . 1 . 2]" 2
298 1 142 LEU HA 1 143 ILE H 1.800 . 2.900 2.249 2.183 2.317 . 0 0 "[ . 1 . 2]" 2
299 1 143 ILE HA 1 144 THR H 1.800 . 2.900 2.418 2.299 2.549 . 0 0 "[ . 1 . 2]" 2
300 1 143 ILE MD 1 144 THR H 1.800 . 2.900 2.049 1.746 3.158 0.258 9 0 "[ . 1 . 2]" 2
301 1 144 THR HA 1 145 PHE H 1.800 . 2.900 2.238 2.148 2.296 . 0 0 "[ . 1 . 2]" 2
302 1 144 THR MG 1 145 PHE H 1.800 . 2.900 3.072 2.973 3.160 0.260 9 0 "[ . 1 . 2]" 2
303 1 146 GLY H 1 147 GLU H 1.800 . 4.200 4.250 4.114 4.369 0.169 17 0 "[ . 1 . 2]" 2
304 1 145 PHE HA 1 146 GLY H 1.800 . 2.900 2.133 2.093 2.184 . 0 0 "[ . 1 . 2]" 2
305 1 145 PHE QB 1 146 GLY H 1.800 . 3.500 3.627 3.435 3.808 0.308 20 0 "[ . 1 . 2]" 2
306 1 145 PHE QD 1 146 GLY H 1.800 . 3.500 3.157 1.976 3.677 0.177 9 0 "[ . 1 . 2]" 2
307 1 146 GLY QA 1 147 GLU H 1.800 . 4.200 2.212 2.108 2.298 . 0 0 "[ . 1 . 2]" 2
308 1 147 GLU H 1 148 GLY H 1.800 . 4.200 4.483 4.418 4.560 0.360 8 0 "[ . 1 . 2]" 2
309 1 148 GLY H 1 149 VAL H 1.800 . 2.900 2.281 1.930 2.644 . 0 0 "[ . 1 . 2]" 2
310 1 147 GLU QB 1 148 GLY H 1.800 . 4.200 3.477 2.863 3.852 . 0 0 "[ . 1 . 2]" 2
311 1 149 VAL QG 1 150 GLU QB 1.800 . 4.200 3.686 2.723 4.458 0.258 15 0 "[ . 1 . 2]" 2
312 1 149 VAL HA 1 150 GLU H 1.800 . 2.900 2.575 2.329 2.665 . 0 0 "[ . 1 . 2]" 2
313 1 149 VAL H 1 150 GLU H 1.800 . 4.200 4.435 4.371 4.502 0.302 5 0 "[ . 1 . 2]" 2
314 1 152 ALA H 1 153 ASN H 1.800 . 3.500 3.281 2.415 3.829 0.329 9 0 "[ . 1 . 2]" 2
315 1 151 PRO HA 1 152 ALA H 1.800 . 2.900 2.657 2.243 3.301 0.401 18 0 "[ . 1 . 2]" 2
316 1 152 ALA HA 1 153 ASN H 1.800 . 2.900 2.763 2.295 3.219 0.319 18 0 "[ . 1 . 2]" 2
317 1 153 ASN HA 1 154 LEU H 1.800 . 2.900 2.792 2.114 3.081 0.181 17 0 "[ . 1 . 2]" 2
318 1 154 LEU HA 1 155 LYS H 1.800 . 2.900 2.165 2.068 2.283 . 0 0 "[ . 1 . 2]" 2
319 1 156 ALA H 1 157 SER H 1.800 . 5.000 4.585 4.527 4.643 . 0 0 "[ . 1 . 2]" 2
320 1 155 LYS H 1 156 ALA H 1.800 . 5.000 4.195 3.868 4.463 . 0 0 "[ . 1 . 2]" 2
321 1 155 LYS HA 1 156 ALA H 1.800 . 2.900 2.249 2.142 2.335 . 0 0 "[ . 1 . 2]" 2
322 1 155 LYS HA 1 156 ALA MB 1.800 . 5.000 4.019 3.906 4.148 . 0 0 "[ . 1 . 2]" 2
323 1 155 LYS QB 1 156 ALA H 1.800 . 3.500 3.655 3.161 3.895 0.395 10 0 "[ . 1 . 2]" 2
324 1 156 ALA HA 1 157 SER H 1.800 . 2.900 2.353 2.211 2.488 . 0 0 "[ . 1 . 2]" 2
325 1 156 ALA MB 1 157 SER H 1.800 . 2.900 2.519 2.182 2.713 . 0 0 "[ . 1 . 2]" 2
326 1 157 SER H 1 158 VAL QG 1.800 . 4.200 3.736 3.243 4.333 0.133 12 0 "[ . 1 . 2]" 2
327 1 157 SER QB 1 158 VAL QG 1.800 . 6.000 4.386 3.958 4.885 . 0 0 "[ . 1 . 2]" 2
328 1 157 SER HA 1 158 VAL H 1.800 . 2.900 2.224 2.165 2.282 . 0 0 "[ . 1 . 2]" 2
329 1 158 VAL HA 1 159 VAL H 1.800 . 2.900 2.163 2.106 2.231 . 0 0 "[ . 1 . 2]" 2
330 1 158 VAL HA 1 159 VAL QG 1.800 . 4.200 3.593 3.374 3.836 . 0 0 "[ . 1 . 2]" 2
331 1 158 VAL QG 1 159 VAL QG 1.800 . 4.200 3.968 3.800 4.168 . 0 0 "[ . 1 . 2]" 2
332 1 159 VAL HA 1 160 PHE H 1.800 . 2.900 2.213 2.131 2.312 . 0 0 "[ . 1 . 2]" 2
333 1 159 VAL QG 1 160 PHE H 1.800 . 3.500 3.012 2.879 3.163 . 0 0 "[ . 1 . 2]" 2
334 1 160 PHE HA 1 161 ASN H 1.800 . 2.900 2.319 2.159 2.472 . 0 0 "[ . 1 . 2]" 2
335 1 161 ASN HA 1 162 GLN H 1.800 . 2.900 2.181 2.103 2.243 . 0 0 "[ . 1 . 2]" 2
336 1 161 ASN H 1 162 GLN H 1.800 . 4.200 4.310 4.128 4.534 0.334 9 0 "[ . 1 . 2]" 2
337 1 162 GLN H 1 163 LEU H 1.800 . 4.200 4.515 4.406 4.565 0.365 11 0 "[ . 1 . 2]" 2
338 1 162 GLN HA 1 163 LEU H 1.800 . 2.900 2.138 2.057 2.222 . 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 128
_Distance_constraint_stats_list.Viol_count 1049
_Distance_constraint_stats_list.Viol_total 2922.040
_Distance_constraint_stats_list.Viol_max 1.190
_Distance_constraint_stats_list.Viol_rms 0.1164
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0571
_Distance_constraint_stats_list.Viol_average_violations_only 0.1393
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 9 GLN 2.519 0.160 20 0 "[ . 1 . 2]"
1 11 LEU 5.387 0.452 4 0 "[ . 1 . 2]"
1 13 MET 2.098 0.184 4 0 "[ . 1 . 2]"
1 15 LEU 6.459 0.396 13 0 "[ . 1 . 2]"
1 16 VAL 3.063 0.252 17 0 "[ . 1 . 2]"
1 18 ASP 26.744 1.190 8 11 "[* * * *+ ** **-* 2]"
1 19 GLN 3.622 0.439 6 0 "[ . 1 . 2]"
1 20 ASP 3.278 0.520 6 1 "[ .+ 1 . 2]"
1 21 LEU 1.482 0.201 6 0 "[ . 1 . 2]"
1 22 THR 2.503 0.313 10 0 "[ . 1 . 2]"
1 23 LYS 4.740 0.439 6 0 "[ . 1 . 2]"
1 24 GLN 4.129 0.520 6 1 "[ .+ 1 . 2]"
1 25 MET 2.567 0.201 6 0 "[ . 1 . 2]"
1 26 ARG 3.303 0.313 10 0 "[ . 1 . 2]"
1 27 LEU 1.826 0.216 1 0 "[ . 1 . 2]"
1 28 ARG 2.239 0.173 18 0 "[ . 1 . 2]"
1 29 VAL 2.420 0.254 20 0 "[ . 1 . 2]"
1 30 GLU 2.013 0.223 6 0 "[ . 1 . 2]"
1 31 SER 0.709 0.216 1 0 "[ . 1 . 2]"
1 32 LEU 1.389 0.130 20 0 "[ . 1 . 2]"
1 33 LYS 1.336 0.254 20 0 "[ . 1 . 2]"
1 34 GLN 1.212 0.223 6 0 "[ . 1 . 2]"
1 51 SER 3.891 0.256 6 0 "[ . 1 . 2]"
1 52 VAL 26.744 1.190 8 11 "[* * * *+ ** **-* 2]"
1 53 TYR 3.659 0.288 20 0 "[ . 1 . 2]"
1 54 ARG 3.063 0.252 17 0 "[ . 1 . 2]"
1 55 LEU 4.130 0.324 19 0 "[ . 1 . 2]"
1 67 HIS 1.471 0.191 8 0 "[ . 1 . 2]"
1 69 ASN 2.059 0.196 12 0 "[ . 1 . 2]"
1 71 VAL 4.703 0.388 3 0 "[ . 1 . 2]"
1 76 GLY 3.174 0.323 2 0 "[ . 1 . 2]"
1 78 VAL 2.806 0.272 2 0 "[ . 1 . 2]"
1 79 THR 1.707 0.213 9 0 "[ . 1 . 2]"
1 80 ILE 2.024 0.284 7 0 "[ . 1 . 2]"
1 81 THR 3.561 0.236 17 0 "[ . 1 . 2]"
1 104 ALA 2.024 0.284 7 0 "[ . 1 . 2]"
1 105 ILE 15.543 0.463 9 0 "[ . 1 . 2]"
1 106 PHE 2.806 0.272 2 0 "[ . 1 . 2]"
1 107 TRP 1.730 0.182 14 0 "[ . 1 . 2]"
1 108 ARG 3.174 0.323 2 0 "[ . 1 . 2]"
1 109 LYS 12.019 0.323 2 0 "[ . 1 . 2]"
1 114 ALA 12.019 0.323 2 0 "[ . 1 . 2]"
1 116 ASP 1.730 0.182 14 0 "[ . 1 . 2]"
1 118 ASN 15.543 0.463 9 0 "[ . 1 . 2]"
1 120 ALA 1.744 0.225 18 0 "[ . 1 . 2]"
1 121 ASP 0.489 0.088 13 0 "[ . 1 . 2]"
1 122 ALA 0.969 0.138 20 0 "[ . 1 . 2]"
1 123 LEU 1.941 0.177 15 0 "[ . 1 . 2]"
1 124 GLU 2.445 0.225 18 0 "[ . 1 . 2]"
1 125 PHE 2.283 0.186 10 0 "[ . 1 . 2]"
1 126 GLY 3.481 0.236 9 0 "[ . 1 . 2]"
1 127 GLU 2.319 0.177 15 0 "[ . 1 . 2]"
1 128 ARG 1.505 0.142 11 0 "[ . 1 . 2]"
1 129 LEU 2.499 0.186 10 0 "[ . 1 . 2]"
1 130 SER 7.534 0.259 3 0 "[ . 1 . 2]"
1 131 ASP 1.288 0.142 3 0 "[ . 1 . 2]"
1 132 LEU 0.804 0.142 11 0 "[ . 1 . 2]"
1 133 ALA 0.706 0.135 18 0 "[ . 1 . 2]"
1 134 LYS 5.022 0.259 3 0 "[ . 1 . 2]"
1 135 ILE 0.910 0.142 3 0 "[ . 1 . 2]"
1 139 MET 4.130 0.324 19 0 "[ . 1 . 2]"
1 141 PHE 3.659 0.288 20 0 "[ . 1 . 2]"
1 142 LEU 3.561 0.236 17 0 "[ . 1 . 2]"
1 143 ILE 3.891 0.256 6 0 "[ . 1 . 2]"
1 144 THR 1.707 0.213 9 0 "[ . 1 . 2]"
1 155 LYS 4.703 0.388 3 0 "[ . 1 . 2]"
1 156 ALA 6.459 0.396 13 0 "[ . 1 . 2]"
1 157 SER 2.059 0.196 12 0 "[ . 1 . 2]"
1 158 VAL 2.098 0.184 4 0 "[ . 1 . 2]"
1 159 VAL 1.471 0.191 8 0 "[ . 1 . 2]"
1 160 PHE 5.387 0.452 4 0 "[ . 1 . 2]"
1 162 GLN 2.519 0.160 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 19 GLN O 1 23 LYS H 2.300 2.300 2.900 2.541 2.140 3.079 0.179 20 0 "[ . 1 . 2]" 3
2 1 19 GLN O 1 23 LYS N 2.400 2.400 3.500 3.353 2.805 3.939 0.439 6 0 "[ . 1 . 2]" 3
3 1 20 ASP O 1 24 GLN H 2.300 2.300 2.900 2.730 1.780 3.114 0.520 6 1 "[ .+ 1 . 2]" 3
4 1 20 ASP O 1 24 GLN N 2.400 2.400 3.500 3.417 2.605 3.765 0.265 3 0 "[ . 1 . 2]" 3
5 1 21 LEU O 1 25 MET H 2.300 2.300 2.900 2.333 2.099 2.732 0.201 6 0 "[ . 1 . 2]" 3
6 1 21 LEU O 1 25 MET N 2.400 2.400 3.500 3.194 2.723 3.572 0.072 19 0 "[ . 1 . 2]" 3
7 1 22 THR O 1 26 ARG H 2.300 2.300 2.900 2.247 1.987 2.767 0.313 10 0 "[ . 1 . 2]" 3
8 1 22 THR O 1 26 ARG N 2.400 2.400 3.500 3.106 2.533 3.568 0.068 6 0 "[ . 1 . 2]" 3
9 1 23 LYS O 1 27 LEU H 2.300 2.300 2.900 2.424 2.118 2.929 0.182 4 0 "[ . 1 . 2]" 3
10 1 23 LYS O 1 27 LEU N 2.400 2.400 3.500 3.236 3.002 3.648 0.148 10 0 "[ . 1 . 2]" 3
11 1 24 GLN O 1 28 ARG H 2.300 2.300 2.900 2.461 2.127 2.772 0.173 18 0 "[ . 1 . 2]" 3
12 1 24 GLN O 1 28 ARG N 2.400 2.400 3.500 3.187 2.705 3.530 0.030 15 0 "[ . 1 . 2]" 3
13 1 25 MET O 1 29 VAL H 2.300 2.300 2.900 2.332 2.150 2.834 0.150 3 0 "[ . 1 . 2]" 3
14 1 25 MET O 1 29 VAL N 2.400 2.400 3.500 3.107 2.867 3.593 0.093 1 0 "[ . 1 . 2]" 3
15 1 26 ARG O 1 30 GLU H 2.300 2.300 2.900 2.488 2.163 2.761 0.137 2 0 "[ . 1 . 2]" 3
16 1 26 ARG O 1 30 GLU N 2.400 2.400 3.500 3.347 2.943 3.617 0.117 6 0 "[ . 1 . 2]" 3
17 1 27 LEU O 1 31 SER H 2.300 2.300 2.900 2.381 2.084 2.648 0.216 1 0 "[ . 1 . 2]" 3
18 1 27 LEU O 1 31 SER N 2.400 2.400 3.500 3.231 2.874 3.558 0.058 17 0 "[ . 1 . 2]" 3
19 1 28 ARG O 1 32 LEU H 2.300 2.300 2.900 2.361 2.173 2.873 0.127 11 0 "[ . 1 . 2]" 3
20 1 28 ARG O 1 32 LEU N 2.400 2.400 3.500 3.231 2.981 3.630 0.130 20 0 "[ . 1 . 2]" 3
21 1 29 VAL O 1 33 LYS H 2.300 2.300 2.900 2.584 2.144 2.853 0.156 17 0 "[ . 1 . 2]" 3
22 1 29 VAL O 1 33 LYS N 2.400 2.400 3.500 3.365 2.718 3.754 0.254 20 0 "[ . 1 . 2]" 3
23 1 30 GLU O 1 34 GLN H 2.300 2.300 2.900 2.414 2.077 2.893 0.223 6 0 "[ . 1 . 2]" 3
24 1 30 GLU O 1 34 GLN N 2.400 2.400 3.500 3.128 2.682 3.649 0.149 16 0 "[ . 1 . 2]" 3
25 1 120 ALA O 1 124 GLU H 2.300 2.300 2.900 2.663 2.546 2.802 . 0 0 "[ . 1 . 2]" 3
26 1 120 ALA O 1 124 GLU N 2.400 2.400 3.500 3.586 3.476 3.725 0.225 18 0 "[ . 1 . 2]" 3
27 1 121 ASP O 1 125 PHE H 2.300 2.300 2.900 2.442 2.228 2.687 0.072 6 0 "[ . 1 . 2]" 3
28 1 121 ASP O 1 125 PHE N 2.400 2.400 3.500 3.301 3.019 3.588 0.088 13 0 "[ . 1 . 2]" 3
29 1 122 ALA O 1 126 GLY H 2.300 2.300 2.900 2.316 2.162 2.656 0.138 20 0 "[ . 1 . 2]" 3
30 1 122 ALA O 1 126 GLY N 2.400 2.400 3.500 2.947 2.761 3.420 . 0 0 "[ . 1 . 2]" 3
31 1 123 LEU O 1 127 GLU H 2.300 2.300 2.900 2.773 2.683 2.860 . 0 0 "[ . 1 . 2]" 3
32 1 123 LEU O 1 127 GLU N 2.400 2.400 3.500 3.597 3.527 3.677 0.177 15 0 "[ . 1 . 2]" 3
33 1 124 GLU O 1 128 ARG H 2.300 2.300 2.900 2.588 2.212 2.763 0.088 15 0 "[ . 1 . 2]" 3
34 1 124 GLU O 1 128 ARG N 2.400 2.400 3.500 3.459 3.029 3.627 0.127 12 0 "[ . 1 . 2]" 3
35 1 125 PHE O 1 129 LEU H 2.300 2.300 2.900 2.211 2.114 2.323 0.186 10 0 "[ . 1 . 2]" 3
36 1 125 PHE O 1 129 LEU N 2.400 2.400 3.500 2.976 2.731 3.183 . 0 0 "[ . 1 . 2]" 3
37 1 126 GLY O 1 130 SER H 2.300 2.300 2.900 2.752 2.666 2.889 . 0 0 "[ . 1 . 2]" 3
38 1 126 GLY O 1 130 SER N 2.400 2.400 3.500 3.626 3.527 3.736 0.236 9 0 "[ . 1 . 2]" 3
39 1 127 GLU O 1 131 ASP H 2.300 2.300 2.900 2.544 2.328 2.694 . 0 0 "[ . 1 . 2]" 3
40 1 127 GLU O 1 131 ASP N 2.400 2.400 3.500 3.443 3.252 3.598 0.098 2 0 "[ . 1 . 2]" 3
41 1 128 ARG O 1 132 LEU H 2.300 2.300 2.900 2.322 2.158 2.647 0.142 11 0 "[ . 1 . 2]" 3
42 1 128 ARG O 1 132 LEU N 2.400 2.400 3.500 3.164 2.961 3.428 . 0 0 "[ . 1 . 2]" 3
43 1 129 LEU O 1 133 ALA H 2.300 2.300 2.900 2.620 2.330 2.826 . 0 0 "[ . 1 . 2]" 3
44 1 129 LEU O 1 133 ALA N 2.400 2.400 3.500 3.473 3.217 3.635 0.135 18 0 "[ . 1 . 2]" 3
45 1 130 SER O 1 134 LYS H 2.300 2.300 2.900 2.997 2.926 3.091 0.191 16 0 "[ . 1 . 2]" 3
46 1 130 SER O 1 134 LYS N 2.400 2.400 3.500 3.654 3.533 3.759 0.259 3 0 "[ . 1 . 2]" 3
47 1 131 ASP O 1 135 ILE H 2.300 2.300 2.900 2.271 2.158 2.410 0.142 3 0 "[ . 1 . 2]" 3
48 1 131 ASP O 1 135 ILE N 2.400 2.400 3.500 3.071 2.876 3.239 . 0 0 "[ . 1 . 2]" 3
49 1 13 MET H 1 158 VAL O 2.300 2.300 2.900 2.349 2.206 2.549 0.094 8 0 "[ . 1 . 2]" 3
50 1 13 MET N 1 158 VAL O 2.400 2.400 3.500 3.158 2.989 3.396 . 0 0 "[ . 1 . 2]" 3
51 1 13 MET O 1 158 VAL H 2.300 2.300 2.900 2.661 2.470 2.909 0.009 1 0 "[ . 1 . 2]" 3
52 1 13 MET O 1 158 VAL N 2.400 2.400 3.500 3.582 3.428 3.684 0.184 4 0 "[ . 1 . 2]" 3
53 1 15 LEU H 1 156 ALA O 2.300 2.300 2.900 2.350 2.168 2.646 0.132 13 0 "[ . 1 . 2]" 3
54 1 15 LEU N 1 156 ALA O 2.400 2.400 3.500 3.170 2.807 3.560 0.060 1 0 "[ . 1 . 2]" 3
55 1 15 LEU O 1 156 ALA H 2.300 2.300 2.900 2.912 2.810 3.044 0.144 13 0 "[ . 1 . 2]" 3
56 1 15 LEU O 1 156 ALA N 2.400 2.400 3.500 3.754 3.566 3.896 0.396 13 0 "[ . 1 . 2]" 3
57 1 9 GLN O 1 162 GLN H 2.300 2.300 2.900 2.475 2.188 2.946 0.112 2 0 "[ . 1 . 2]" 3
58 1 9 GLN O 1 162 GLN N 2.400 2.400 3.500 2.976 2.731 3.488 . 0 0 "[ . 1 . 2]" 3
59 1 9 GLN H 1 162 GLN O 2.300 2.300 2.900 2.871 2.458 3.050 0.150 20 0 "[ . 1 . 2]" 3
60 1 9 GLN N 1 162 GLN O 2.400 2.400 3.500 3.555 3.354 3.660 0.160 20 0 "[ . 1 . 2]" 3
61 1 11 LEU O 1 160 PHE H 2.300 2.300 2.900 2.326 1.848 2.684 0.452 4 0 "[ . 1 . 2]" 3
62 1 11 LEU O 1 160 PHE N 2.400 2.400 3.500 3.137 2.563 3.621 0.121 13 0 "[ . 1 . 2]" 3
63 1 11 LEU H 1 160 PHE O 2.300 2.300 2.900 2.135 1.920 2.281 0.380 18 0 "[ . 1 . 2]" 3
64 1 11 LEU N 1 160 PHE O 2.400 2.400 3.500 2.931 2.692 3.164 . 0 0 "[ . 1 . 2]" 3
65 1 51 SER H 1 143 ILE O 2.300 2.300 2.900 2.109 2.044 2.167 0.256 6 0 "[ . 1 . 2]" 3
66 1 51 SER N 1 143 ILE O 2.400 2.400 3.500 3.042 2.911 3.122 . 0 0 "[ . 1 . 2]" 3
67 1 51 SER O 1 143 ILE H 2.300 2.300 2.900 2.564 2.273 2.844 0.027 17 0 "[ . 1 . 2]" 3
68 1 51 SER O 1 143 ILE N 2.400 2.400 3.500 3.185 2.889 3.420 . 0 0 "[ . 1 . 2]" 3
69 1 53 TYR H 1 141 PHE O 2.300 2.300 2.900 2.219 2.101 2.325 0.199 17 0 "[ . 1 . 2]" 3
70 1 53 TYR N 1 141 PHE O 2.400 2.400 3.500 3.059 2.831 3.206 . 0 0 "[ . 1 . 2]" 3
71 1 53 TYR O 1 141 PHE H 2.300 2.300 2.900 2.768 2.526 2.967 0.067 20 0 "[ . 1 . 2]" 3
72 1 53 TYR O 1 141 PHE N 2.400 2.400 3.500 3.554 3.290 3.788 0.288 20 0 "[ . 1 . 2]" 3
73 1 55 LEU H 1 139 MET O 2.300 2.300 2.900 2.318 2.134 2.603 0.166 3 0 "[ . 1 . 2]" 3
74 1 55 LEU N 1 139 MET O 2.400 2.400 3.500 3.080 2.805 3.273 . 0 0 "[ . 1 . 2]" 3
75 1 55 LEU O 1 139 MET H 2.300 2.300 2.900 2.116 1.976 2.260 0.324 19 0 "[ . 1 . 2]" 3
76 1 55 LEU O 1 139 MET N 2.400 2.400 3.500 3.043 2.855 3.212 . 0 0 "[ . 1 . 2]" 3
77 1 78 VAL H 1 106 PHE O 2.300 2.300 2.900 2.415 2.255 2.633 0.045 13 0 "[ . 1 . 2]" 3
78 1 78 VAL N 1 106 PHE O 2.400 2.400 3.500 3.315 3.151 3.475 . 0 0 "[ . 1 . 2]" 3
79 1 78 VAL O 1 106 PHE H 2.300 2.300 2.900 2.725 2.560 2.914 0.014 2 0 "[ . 1 . 2]" 3
80 1 78 VAL O 1 106 PHE N 2.400 2.400 3.500 3.636 3.482 3.772 0.272 2 0 "[ . 1 . 2]" 3
81 1 80 ILE H 1 104 ALA O 2.300 2.300 2.900 2.265 2.153 2.524 0.147 2 0 "[ . 1 . 2]" 3
82 1 80 ILE N 1 104 ALA O 2.400 2.400 3.500 3.151 3.036 3.327 . 0 0 "[ . 1 . 2]" 3
83 1 80 ILE O 1 104 ALA H 2.300 2.300 2.900 2.551 2.220 3.184 0.284 7 0 "[ . 1 . 2]" 3
84 1 80 ILE O 1 104 ALA N 2.400 2.400 3.500 3.389 3.003 3.626 0.126 4 0 "[ . 1 . 2]" 3
85 1 76 GLY O 1 108 ARG H 2.300 2.300 2.900 2.188 1.977 2.277 0.323 2 0 "[ . 1 . 2]" 3
86 1 76 GLY O 1 108 ARG N 2.400 2.400 3.500 2.908 2.736 3.018 . 0 0 "[ . 1 . 2]" 3
87 1 76 GLY H 1 108 ARG O 2.300 2.300 2.900 2.281 2.173 2.677 0.127 15 0 "[ . 1 . 2]" 3
88 1 76 GLY N 1 108 ARG O 2.400 2.400 3.500 3.021 2.765 3.273 . 0 0 "[ . 1 . 2]" 3
89 1 81 THR O 1 142 LEU H 2.300 2.300 2.900 2.802 2.500 2.932 0.032 3 0 "[ . 1 . 2]" 3
90 1 81 THR O 1 142 LEU N 2.400 2.400 3.500 3.579 3.282 3.736 0.236 17 0 "[ . 1 . 2]" 3
91 1 81 THR H 1 142 LEU O 2.300 2.300 2.900 2.253 2.110 2.544 0.190 6 0 "[ . 1 . 2]" 3
92 1 81 THR N 1 142 LEU O 2.400 2.400 3.500 3.177 2.995 3.509 0.009 11 0 "[ . 1 . 2]" 3
93 1 79 THR O 1 144 THR H 2.300 2.300 2.900 2.312 2.134 2.507 0.166 20 0 "[ . 1 . 2]" 3
94 1 79 THR O 1 144 THR N 2.400 2.400 3.500 3.193 3.085 3.337 . 0 0 "[ . 1 . 2]" 3
95 1 79 THR H 1 144 THR O 2.300 2.300 2.900 2.614 2.416 2.806 . 0 0 "[ . 1 . 2]" 3
96 1 79 THR N 1 144 THR O 2.400 2.400 3.500 3.541 3.373 3.713 0.213 9 0 "[ . 1 . 2]" 3
97 1 16 VAL O 1 54 ARG H 2.300 2.300 2.900 2.478 2.158 2.909 0.142 17 0 "[ . 1 . 2]" 3
98 1 16 VAL O 1 54 ARG N 2.400 2.400 3.500 3.222 2.720 3.611 0.111 4 0 "[ . 1 . 2]" 3
99 1 16 VAL H 1 54 ARG O 2.300 2.300 2.900 2.699 2.545 2.897 . 0 0 "[ . 1 . 2]" 3
100 1 16 VAL N 1 54 ARG O 2.400 2.400 3.500 3.616 3.496 3.752 0.252 17 0 "[ . 1 . 2]" 3
101 1 18 ASP O 1 52 VAL H 2.300 2.300 2.900 3.277 2.414 3.704 0.804 8 9 "[* * *+ ** *-* 2]" 3
102 1 18 ASP O 1 52 VAL N 2.400 2.400 3.500 4.174 3.253 4.690 1.190 8 11 "[* * * *+ ** -*** 2]" 3
103 1 18 ASP H 1 52 VAL O 2.300 2.300 2.900 3.020 2.069 3.796 0.896 15 3 "[ . 1 -*+ 2]" 3
104 1 18 ASP N 1 52 VAL O 2.400 2.400 3.500 2.945 2.487 3.319 . 0 0 "[ . 1 . 2]" 3
105 1 109 LYS O 1 114 ALA H 2.300 2.300 2.900 3.036 2.975 3.125 0.225 5 0 "[ . 1 . 2]" 3
106 1 109 LYS O 1 114 ALA N 2.400 2.400 3.500 3.757 3.720 3.823 0.323 2 0 "[ . 1 . 2]" 3
107 1 109 LYS H 1 114 ALA O 2.300 2.300 2.900 2.782 2.685 2.840 . 0 0 "[ . 1 . 2]" 3
108 1 109 LYS N 1 114 ALA O 2.400 2.400 3.500 3.708 3.625 3.786 0.286 10 0 "[ . 1 . 2]" 3
109 1 107 TRP O 1 116 ASP H 2.300 2.300 2.900 2.727 2.601 2.858 . 0 0 "[ . 1 . 2]" 3
110 1 107 TRP O 1 116 ASP N 2.400 2.400 3.500 3.578 3.481 3.682 0.182 14 0 "[ . 1 . 2]" 3
111 1 107 TRP H 1 116 ASP O 2.300 2.300 2.900 2.677 2.276 2.927 0.027 10 0 "[ . 1 . 2]" 3
112 1 107 TRP N 1 116 ASP O 2.400 2.400 3.500 3.396 3.085 3.563 0.063 5 0 "[ . 1 . 2]" 3
113 1 105 ILE O 1 118 ASN H 2.300 2.300 2.900 2.066 1.896 2.208 0.404 5 0 "[ . 1 . 2]" 3
114 1 105 ILE O 1 118 ASN N 2.400 2.400 3.500 2.965 2.804 3.162 . 0 0 "[ . 1 . 2]" 3
115 1 105 ILE H 1 118 ASN O 2.300 2.300 2.900 3.039 2.948 3.105 0.205 5 0 "[ . 1 . 2]" 3
116 1 105 ILE N 1 118 ASN O 2.400 2.400 3.500 3.904 3.856 3.963 0.463 9 0 "[ . 1 . 2]" 3
117 1 69 ASN H 1 157 SER O 2.300 2.300 2.900 2.754 2.559 2.969 0.069 19 0 "[ . 1 . 2]" 3
118 1 69 ASN N 1 157 SER O 2.400 2.400 3.500 3.502 3.107 3.677 0.177 19 0 "[ . 1 . 2]" 3
119 1 69 ASN O 1 157 SER H 2.300 2.300 2.900 2.303 2.104 2.776 0.196 12 0 "[ . 1 . 2]" 3
120 1 69 ASN O 1 157 SER N 2.400 2.400 3.500 3.208 3.021 3.486 . 0 0 "[ . 1 . 2]" 3
121 1 67 HIS H 1 159 VAL O 2.300 2.300 2.900 2.410 2.217 2.675 0.083 15 0 "[ . 1 . 2]" 3
122 1 67 HIS N 1 159 VAL O 2.400 2.400 3.500 3.229 2.987 3.536 0.036 7 0 "[ . 1 . 2]" 3
123 1 67 HIS O 1 159 VAL H 2.300 2.300 2.900 2.784 2.487 2.952 0.052 8 0 "[ . 1 . 2]" 3
124 1 67 HIS O 1 159 VAL N 2.400 2.400 3.500 3.518 3.303 3.691 0.191 8 0 "[ . 1 . 2]" 3
125 1 71 VAL O 1 155 LYS H 2.300 2.300 2.900 2.133 1.912 2.730 0.388 3 0 "[ . 1 . 2]" 3
126 1 71 VAL O 1 155 LYS N 2.400 2.400 3.500 2.886 2.517 3.478 . 0 0 "[ . 1 . 2]" 3
127 1 71 VAL H 1 155 LYS O 2.300 2.300 2.900 2.420 2.202 2.920 0.098 10 0 "[ . 1 . 2]" 3
128 1 71 VAL N 1 155 LYS O 2.400 2.400 3.500 3.252 3.053 3.568 0.068 7 0 "[ . 1 . 2]" 3
stop_
save_
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