NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
412866 |
2bye   |
6624 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2bye
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 380
_Distance_constraint_stats_list.Viol_count 989
_Distance_constraint_stats_list.Viol_total 2059.358
_Distance_constraint_stats_list.Viol_max 0.444
_Distance_constraint_stats_list.Viol_rms 0.0467
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0135
_Distance_constraint_stats_list.Viol_average_violations_only 0.1041
_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 6 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 LEU 1.006 0.188 12 0 "[ . 1 . 2]"
1 8 GLN 0.044 0.044 18 0 "[ . 1 . 2]"
1 9 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 ARG 9.075 0.367 19 0 "[ . 1 . 2]"
1 12 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 HIS 0.365 0.153 19 0 "[ . 1 . 2]"
1 17 VAL 0.946 0.084 5 0 "[ . 1 . 2]"
1 18 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 PRO 2.882 0.093 4 0 "[ . 1 . 2]"
1 21 GLU 1.718 0.154 18 0 "[ . 1 . 2]"
1 22 PRO 1.720 0.083 13 0 "[ . 1 . 2]"
1 23 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 ILE 2.388 0.154 15 0 "[ . 1 . 2]"
1 29 ASN 1.720 0.253 12 0 "[ . 1 . 2]"
1 32 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 LYS 3.814 0.176 16 0 "[ . 1 . 2]"
1 35 LYS 0.845 0.348 10 0 "[ . 1 . 2]"
1 36 GLN 1.318 0.072 2 0 "[ . 1 . 2]"
1 37 LEU 1.833 0.116 11 0 "[ . 1 . 2]"
1 38 LEU 0.103 0.030 9 0 "[ . 1 . 2]"
1 39 GLN 8.572 0.327 5 0 "[ . 1 . 2]"
1 40 GLN 1.282 0.077 8 0 "[ . 1 . 2]"
1 41 ILE 0.743 0.092 11 0 "[ . 1 . 2]"
1 42 LEU 5.215 0.294 16 0 "[ . 1 . 2]"
1 43 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 ASN 0.282 0.179 18 0 "[ . 1 . 2]"
1 45 GLU 1.213 0.107 13 0 "[ . 1 . 2]"
1 46 GLN 2.518 0.444 8 0 "[ . 1 . 2]"
1 47 ASP 0.664 0.133 2 0 "[ . 1 . 2]"
1 48 ILE 2.518 0.250 18 0 "[ . 1 . 2]"
1 49 LYS 3.170 0.302 20 0 "[ . 1 . 2]"
1 50 PRO 4.112 0.234 2 0 "[ . 1 . 2]"
1 51 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 THR 1.978 0.332 18 0 "[ . 1 . 2]"
1 53 THR 0.157 0.046 20 0 "[ . 1 . 2]"
1 54 ASP 0.628 0.383 13 0 "[ . 1 . 2]"
1 55 TYR 1.675 0.101 19 0 "[ . 1 . 2]"
1 56 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 LEU 0.675 0.169 15 0 "[ . 1 . 2]"
1 58 MET 0.472 0.162 15 0 "[ . 1 . 2]"
1 59 GLU 1.034 0.204 19 0 "[ . 1 . 2]"
1 60 GLU 0.316 0.156 18 0 "[ . 1 . 2]"
1 61 LYS 2.299 0.257 19 0 "[ . 1 . 2]"
1 64 ILE 0.994 0.196 7 0 "[ . 1 . 2]"
1 65 SER 0.104 0.066 15 0 "[ . 1 . 2]"
1 66 LYS 0.020 0.020 17 0 "[ . 1 . 2]"
1 68 LYS 0.329 0.099 12 0 "[ . 1 . 2]"
1 69 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 GLU 1.429 0.341 18 0 "[ . 1 . 2]"
1 71 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 ARG 0.416 0.131 11 0 "[ . 1 . 2]"
1 73 LYS 1.253 0.176 9 0 "[ . 1 . 2]"
1 74 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 ILE 0.837 0.196 15 0 "[ . 1 . 2]"
1 82 PRO 6.474 0.330 2 0 "[ . 1 . 2]"
1 83 GLU 3.836 0.181 11 0 "[ . 1 . 2]"
1 84 GLU 1.716 0.180 19 0 "[ . 1 . 2]"
1 85 GLU 0.322 0.074 6 0 "[ . 1 . 2]"
1 86 ILE 0.015 0.014 14 0 "[ . 1 . 2]"
1 87 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 GLN 2.625 0.408 12 0 "[ . 1 . 2]"
1 89 ILE 3.668 0.217 5 0 "[ . 1 . 2]"
1 90 LEU 0.138 0.042 11 0 "[ . 1 . 2]"
1 91 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 94 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 97 GLU 0.399 0.102 16 0 "[ . 1 . 2]"
1 99 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 100 MET 0.191 0.191 18 0 "[ . 1 . 2]"
1 102 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 103 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 104 VAL 2.017 0.250 10 0 "[ . 1 . 2]"
1 105 LEU 0.532 0.071 9 0 "[ . 1 . 2]"
1 106 LYS 0.009 0.009 11 0 "[ . 1 . 2]"
1 107 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 108 GLN 0.533 0.087 20 0 "[ . 1 . 2]"
1 109 GLN 4.493 0.368 9 0 "[ . 1 . 2]"
1 110 GLU 1.316 0.160 6 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 6 CYS H 1 6 CYS QB 3.000 . 3.500 2.701 2.309 3.424 . 0 0 "[ . 1 . 2]" 1
2 1 7 LEU H 1 7 LEU QB 2.500 . 3.000 2.645 2.225 3.188 0.188 12 0 "[ . 1 . 2]" 1
3 1 7 LEU H 1 7 LEU QD 4.500 . 5.500 2.912 1.827 3.867 . 0 0 "[ . 1 . 2]" 1
4 1 7 LEU HA 1 7 LEU MD1 3.500 . 4.000 2.976 1.857 3.873 . 0 0 "[ . 1 . 2]" 1
5 1 7 LEU HA 1 7 LEU MD2 4.000 . 5.000 2.634 1.868 4.022 . 0 0 "[ . 1 . 2]" 1
6 1 7 LEU HB3 1 7 LEU MD1 3.000 . 3.500 2.560 2.331 3.197 . 0 0 "[ . 1 . 2]" 1
7 1 7 LEU HB2 1 7 LEU MD1 3.000 . 3.500 2.595 2.261 3.204 . 0 0 "[ . 1 . 2]" 1
8 1 7 LEU HB3 1 7 LEU MD2 3.000 . 3.500 2.606 2.189 3.202 . 0 0 "[ . 1 . 2]" 1
9 1 7 LEU HB2 1 7 LEU MD2 3.000 . 3.500 2.778 2.286 3.203 . 0 0 "[ . 1 . 2]" 1
10 1 8 GLN H 1 8 GLN QB 3.000 . 3.500 2.561 2.263 3.366 . 0 0 "[ . 1 . 2]" 1
11 1 8 GLN H 1 8 GLN QG 3.500 . 4.000 2.967 2.095 4.044 0.044 18 0 "[ . 1 . 2]" 1
12 1 9 THR H 1 9 THR HB 4.000 . 5.000 3.710 3.579 4.051 . 0 0 "[ . 1 . 2]" 1
13 1 9 THR H 1 9 THR MG 3.500 . 4.000 2.666 2.317 3.280 . 0 0 "[ . 1 . 2]" 1
14 1 9 THR HA 1 9 THR MG 3.000 . 3.500 2.322 2.251 2.366 . 0 0 "[ . 1 . 2]" 1
15 1 10 HIS H 1 10 HIS HB3 4.000 . 5.000 3.748 3.676 3.863 . 0 0 "[ . 1 . 2]" 1
16 1 10 HIS H 1 10 HIS HB2 4.000 . 5.000 2.608 2.471 2.781 . 0 0 "[ . 1 . 2]" 1
17 1 11 ARG H 1 11 ARG QB 3.000 . 3.500 2.186 2.109 2.322 . 0 0 "[ . 1 . 2]" 1
18 1 11 ARG H 1 11 ARG QG 3.000 . 3.500 3.788 3.744 3.867 0.367 19 0 "[ . 1 . 2]" 1
19 1 11 ARG HA 1 11 ARG QD 3.000 . 3.500 3.666 3.602 3.705 0.205 13 0 "[ . 1 . 2]" 1
20 1 11 ARG HA 1 11 ARG HG3 3.500 . 4.000 2.007 1.935 2.062 . 0 0 "[ . 1 . 2]" 1
21 1 11 ARG HA 1 11 ARG HG2 3.500 . 4.000 2.829 2.779 2.889 . 0 0 "[ . 1 . 2]" 1
22 1 12 VAL H 1 12 VAL HB 3.500 . 4.000 3.312 3.212 3.361 . 0 0 "[ . 1 . 2]" 1
23 1 12 VAL H 1 12 VAL QG 4.000 . 5.000 2.079 1.951 2.173 . 0 0 "[ . 1 . 2]" 1
24 1 12 VAL HA 1 12 VAL MG1 3.000 . 3.500 3.197 3.192 3.205 . 0 0 "[ . 1 . 2]" 1
25 1 13 THR H 1 13 THR HB 3.500 . 4.000 2.614 2.573 2.643 . 0 0 "[ . 1 . 2]" 1
26 1 13 THR H 1 13 THR MG 4.000 . 5.000 3.769 3.757 3.785 . 0 0 "[ . 1 . 2]" 1
27 1 13 THR HA 1 13 THR MG 3.000 . 3.500 2.310 2.291 2.336 . 0 0 "[ . 1 . 2]" 1
28 1 14 VAL H 1 14 VAL HB 3.500 . 4.000 2.534 2.381 2.702 . 0 0 "[ . 1 . 2]" 1
29 1 14 VAL H 1 14 VAL QG 4.000 . 5.000 2.474 2.059 2.842 . 0 0 "[ . 1 . 2]" 1
30 1 15 HIS H 1 15 HIS HB3 4.000 . 5.000 3.445 3.036 3.642 . 0 0 "[ . 1 . 2]" 1
31 1 15 HIS H 1 15 HIS HB2 4.000 . 5.000 2.249 2.083 2.413 . 0 0 "[ . 1 . 2]" 1
32 1 15 HIS H 1 15 HIS HD2 4.000 . 5.000 3.765 3.042 5.153 0.153 19 0 "[ . 1 . 2]" 1
33 1 17 VAL H 1 17 VAL HB 3.000 . 3.500 3.374 2.715 3.584 0.084 5 0 "[ . 1 . 2]" 1
34 1 17 VAL H 1 17 VAL MG1 3.500 . 4.000 1.827 1.785 1.964 0.015 18 0 "[ . 1 . 2]" 1
35 1 17 VAL H 1 17 VAL MG2 3.500 . 4.000 2.736 2.240 3.757 . 0 0 "[ . 1 . 2]" 1
36 1 17 VAL HA 1 17 VAL MG1 3.500 . 4.000 2.660 2.424 3.197 . 0 0 "[ . 1 . 2]" 1
37 1 17 VAL HA 1 17 VAL MG2 3.500 . 4.000 3.021 2.455 3.210 . 0 0 "[ . 1 . 2]" 1
38 1 18 PRO HB2 1 18 PRO HD3 4.000 . 5.000 3.921 3.869 4.041 . 0 0 "[ . 1 . 2]" 1
39 1 18 PRO HB3 1 18 PRO HD3 4.000 . 5.000 2.958 2.844 3.256 . 0 0 "[ . 1 . 2]" 1
40 1 20 PRO HA 1 20 PRO HD3 3.500 . 4.000 3.596 3.537 3.808 . 0 0 "[ . 1 . 2]" 1
41 1 20 PRO HA 1 20 PRO HD2 3.500 . 4.000 4.087 4.068 4.093 0.093 4 0 "[ . 1 . 2]" 1
42 1 20 PRO HB2 1 20 PRO HD3 3.500 . 4.000 3.859 3.823 3.966 . 0 0 "[ . 1 . 2]" 1
43 1 20 PRO HB2 1 20 PRO HD2 3.500 . 4.000 4.057 4.007 4.072 0.072 2 0 "[ . 1 . 2]" 1
44 1 21 GLU H 1 21 GLU HB3 3.000 . 3.500 3.578 3.550 3.654 0.154 18 0 "[ . 1 . 2]" 1
45 1 21 GLU H 1 21 GLU HB2 3.000 . 3.500 2.707 2.555 2.803 . 0 0 "[ . 1 . 2]" 1
46 1 21 GLU H 1 21 GLU HG3 2.500 . 3.000 1.958 1.769 2.283 0.031 5 0 "[ . 1 . 2]" 1
47 1 21 GLU H 1 21 GLU HG2 3.000 . 3.500 3.085 2.599 3.548 0.048 2 0 "[ . 1 . 2]" 1
48 1 21 GLU HA 1 21 GLU HG3 3.000 . 3.500 3.247 2.694 3.512 0.012 8 0 "[ . 1 . 2]" 1
49 1 21 GLU HA 1 21 GLU HG2 3.000 . 3.500 2.757 2.613 3.514 0.014 2 0 "[ . 1 . 2]" 1
50 1 22 PRO HA 1 22 PRO QD 3.000 . 3.500 3.516 3.505 3.535 0.035 16 0 "[ . 1 . 2]" 1
51 1 22 PRO HA 1 22 PRO HG3 3.500 . 4.000 3.467 3.276 3.831 . 0 0 "[ . 1 . 2]" 1
52 1 22 PRO HA 1 22 PRO HG2 3.500 . 4.000 4.070 4.043 4.083 0.083 13 0 "[ . 1 . 2]" 1
53 1 22 PRO HB2 1 22 PRO QD 3.500 . 4.000 3.081 2.908 3.401 . 0 0 "[ . 1 . 2]" 1
54 1 23 PHE H 1 23 PHE QB 3.000 . 3.500 3.222 3.132 3.306 . 0 0 "[ . 1 . 2]" 1
55 1 23 PHE H 1 23 PHE QE 4.500 . 5.500 4.347 4.151 4.602 . 0 0 "[ . 1 . 2]" 1
56 1 23 PHE HA 1 23 PHE QD 4.000 . 5.000 3.740 3.728 3.748 . 0 0 "[ . 1 . 2]" 1
57 1 24 THR H 1 24 THR HB 3.500 . 4.000 3.286 3.122 3.407 . 0 0 "[ . 1 . 2]" 1
58 1 24 THR H 1 24 THR MG 3.500 . 4.000 2.446 2.274 2.548 . 0 0 "[ . 1 . 2]" 1
59 1 24 THR HA 1 24 THR MG 3.000 . 3.500 3.214 3.197 3.224 . 0 0 "[ . 1 . 2]" 1
60 1 25 VAL H 1 25 VAL HB 3.000 . 3.500 2.683 2.635 2.720 . 0 0 "[ . 1 . 2]" 1
61 1 25 VAL H 1 25 VAL MG1 3.500 . 4.000 3.838 3.806 3.870 . 0 0 "[ . 1 . 2]" 1
62 1 25 VAL H 1 25 VAL MG2 3.500 . 4.000 2.187 2.032 2.316 . 0 0 "[ . 1 . 2]" 1
63 1 25 VAL HA 1 25 VAL MG1 3.000 . 3.500 2.306 2.282 2.329 . 0 0 "[ . 1 . 2]" 1
64 1 25 VAL HA 1 25 VAL MG2 3.000 . 3.500 2.582 2.553 2.616 . 0 0 "[ . 1 . 2]" 1
65 1 26 PHE H 1 26 PHE HB3 4.000 . 5.000 3.811 3.782 3.832 . 0 0 "[ . 1 . 2]" 1
66 1 26 PHE H 1 26 PHE HB2 4.000 . 5.000 2.748 2.669 2.787 . 0 0 "[ . 1 . 2]" 1
67 1 26 PHE H 1 26 PHE QD 4.000 . 5.000 2.668 2.555 2.883 . 0 0 "[ . 1 . 2]" 1
68 1 26 PHE HA 1 26 PHE QD 3.500 . 4.000 2.946 2.826 3.016 . 0 0 "[ . 1 . 2]" 1
69 1 27 THR H 1 27 THR HB 3.000 . 3.500 2.943 2.877 3.043 . 0 0 "[ . 1 . 2]" 1
70 1 27 THR H 1 27 THR MG 4.500 . 5.500 3.711 3.591 3.753 . 0 0 "[ . 1 . 2]" 1
71 1 27 THR HA 1 27 THR MG 3.000 . 3.500 2.159 2.124 2.181 . 0 0 "[ . 1 . 2]" 1
72 1 28 ILE H 1 28 ILE MD 4.000 . 5.000 3.818 3.649 3.996 . 0 0 "[ . 1 . 2]" 1
73 1 28 ILE H 1 28 ILE QG 3.000 . 3.500 2.271 2.133 2.441 . 0 0 "[ . 1 . 2]" 1
74 1 28 ILE H 1 28 ILE MG 3.500 . 4.000 2.312 2.241 2.370 . 0 0 "[ . 1 . 2]" 1
75 1 28 ILE HA 1 28 ILE MD 3.500 . 4.000 4.064 3.606 4.154 0.154 15 0 "[ . 1 . 2]" 1
76 1 28 ILE HA 1 28 ILE QG 3.500 . 4.000 3.310 3.276 3.452 . 0 0 "[ . 1 . 2]" 1
77 1 28 ILE HA 1 28 ILE MG 3.000 . 3.500 2.443 2.401 2.482 . 0 0 "[ . 1 . 2]" 1
78 1 29 ASN HA 1 29 ASN HD22 4.000 . 5.000 5.023 4.451 5.253 0.253 12 0 "[ . 1 . 2]" 1
79 1 29 ASN QB 1 29 ASN HD22 3.000 . 3.500 3.262 3.171 3.299 . 0 0 "[ . 1 . 2]" 1
80 1 32 THR H 1 32 THR MG 4.000 . 5.000 2.665 2.451 2.935 . 0 0 "[ . 1 . 2]" 1
81 1 32 THR HA 1 32 THR MG 3.000 . 3.500 2.213 2.177 2.251 . 0 0 "[ . 1 . 2]" 1
82 1 33 LYS H 1 33 LYS QB 3.500 . 4.000 2.645 2.341 3.025 . 0 0 "[ . 1 . 2]" 1
83 1 33 LYS H 1 33 LYS QD 3.500 . 4.000 2.857 1.692 4.042 0.108 19 0 "[ . 1 . 2]" 1
84 1 33 LYS H 1 33 LYS HG3 3.500 . 4.000 3.394 2.983 3.863 . 0 0 "[ . 1 . 2]" 1
85 1 33 LYS H 1 33 LYS HG2 3.500 . 4.000 2.628 1.793 4.041 0.041 3 0 "[ . 1 . 2]" 1
86 1 33 LYS HA 1 33 LYS HG3 3.500 . 4.000 3.516 2.304 4.176 0.176 16 0 "[ . 1 . 2]" 1
87 1 33 LYS HA 1 33 LYS HG2 3.000 . 3.500 3.586 3.467 3.654 0.154 10 0 "[ . 1 . 2]" 1
88 1 33 LYS HA 1 33 LYS HD3 4.000 . 5.000 4.851 4.488 5.168 0.168 19 0 "[ . 1 . 2]" 1
89 1 35 LYS H 1 35 LYS HB3 3.500 . 4.000 2.763 2.143 3.121 . 0 0 "[ . 1 . 2]" 1
90 1 35 LYS H 1 35 LYS HB2 3.500 . 4.000 3.563 2.757 3.751 . 0 0 "[ . 1 . 2]" 1
91 1 35 LYS H 1 35 LYS QG 3.000 . 3.500 2.354 1.870 3.848 0.348 10 0 "[ . 1 . 2]" 1
92 1 35 LYS HA 1 35 LYS QG 3.500 . 4.000 3.335 3.052 3.480 . 0 0 "[ . 1 . 2]" 1
93 1 36 GLN H 1 36 GLN HB3 3.000 . 3.500 3.358 2.561 3.572 0.072 2 0 "[ . 1 . 2]" 1
94 1 36 GLN H 1 36 GLN HB2 3.000 . 3.500 2.439 2.248 2.668 . 0 0 "[ . 1 . 2]" 1
95 1 36 GLN HE22 1 36 GLN HG3 3.500 . 4.000 3.715 3.471 4.052 0.052 12 0 "[ . 1 . 2]" 1
96 1 36 GLN HE21 1 36 GLN HG2 3.500 . 4.000 2.780 2.212 3.493 . 0 0 "[ . 1 . 2]" 1
97 1 36 GLN HE22 1 36 GLN HG2 3.500 . 4.000 3.727 3.470 4.053 0.053 14 0 "[ . 1 . 2]" 1
98 1 37 LEU H 1 37 LEU MD1 4.500 . 5.500 4.160 4.119 4.187 . 0 0 "[ . 1 . 2]" 1
99 1 37 LEU H 1 37 LEU HB3 3.500 . 4.000 3.098 3.018 3.184 . 0 0 "[ . 1 . 2]" 1
100 1 37 LEU H 1 37 LEU HB2 3.500 . 4.000 2.183 2.163 2.233 . 0 0 "[ . 1 . 2]" 1
101 1 37 LEU H 1 37 LEU MD2 4.000 . 5.000 3.173 3.074 3.321 . 0 0 "[ . 1 . 2]" 1
102 1 37 LEU H 1 37 LEU HG 4.000 . 5.000 4.459 4.432 4.566 . 0 0 "[ . 1 . 2]" 1
103 1 37 LEU HA 1 37 LEU MD1 3.500 . 4.000 2.117 1.978 2.262 . 0 0 "[ . 1 . 2]" 1
104 1 37 LEU HA 1 37 LEU MD2 3.500 . 4.000 1.708 1.684 1.729 0.116 11 0 "[ . 1 . 2]" 1
105 1 37 LEU HA 1 37 LEU HG 3.000 . 3.500 3.446 3.427 3.495 . 0 0 "[ . 1 . 2]" 1
106 1 38 LEU H 1 38 LEU HB3 3.000 . 3.500 2.693 2.592 2.778 . 0 0 "[ . 1 . 2]" 1
107 1 38 LEU H 1 38 LEU HB2 3.000 . 3.500 2.307 2.234 2.373 . 0 0 "[ . 1 . 2]" 1
108 1 38 LEU H 1 38 LEU QD 4.000 . 5.000 3.643 3.606 3.675 . 0 0 "[ . 1 . 2]" 1
109 1 38 LEU H 1 38 LEU HG 4.000 . 5.000 4.436 4.332 4.508 . 0 0 "[ . 1 . 2]" 1
110 1 38 LEU HA 1 38 LEU MD1 4.000 . 5.000 3.591 3.412 3.735 . 0 0 "[ . 1 . 2]" 1
111 1 38 LEU HA 1 38 LEU MD2 4.000 . 5.000 1.828 1.770 1.935 0.030 9 0 "[ . 1 . 2]" 1
112 1 38 LEU HB3 1 38 LEU MD1 3.000 . 3.500 2.149 2.080 2.187 . 0 0 "[ . 1 . 2]" 1
113 1 38 LEU HB3 1 38 LEU MD2 3.000 . 3.500 3.042 2.935 3.119 . 0 0 "[ . 1 . 2]" 1
114 1 38 LEU HB2 1 38 LEU MD1 3.000 . 3.500 2.987 2.842 3.095 . 0 0 "[ . 1 . 2]" 1
115 1 38 LEU HB2 1 38 LEU MD2 3.000 . 3.500 2.832 2.693 2.982 . 0 0 "[ . 1 . 2]" 1
116 1 39 GLN H 1 39 GLN QB 2.500 . 3.000 2.022 2.002 2.044 . 0 0 "[ . 1 . 2]" 1
117 1 39 GLN H 1 39 GLN HG3 3.500 . 4.000 4.133 4.079 4.178 0.178 17 0 "[ . 1 . 2]" 1
118 1 39 GLN HA 1 39 GLN HG3 3.000 . 3.500 2.454 2.383 2.527 . 0 0 "[ . 1 . 2]" 1
119 1 39 GLN HA 1 39 GLN HG2 3.000 . 3.500 2.950 2.795 3.073 . 0 0 "[ . 1 . 2]" 1
120 1 39 GLN H 1 39 GLN HG2 3.500 . 4.000 4.295 4.273 4.327 0.327 5 0 "[ . 1 . 2]" 1
121 1 40 GLN QB 1 40 GLN HE21 4.000 . 5.000 1.804 1.774 1.861 0.026 18 0 "[ . 1 . 2]" 1
122 1 40 GLN QB 1 40 GLN HE22 3.500 . 4.000 3.383 3.355 3.429 . 0 0 "[ . 1 . 2]" 1
123 1 40 GLN H 1 40 GLN QB 2.500 . 3.000 2.164 2.134 2.197 . 0 0 "[ . 1 . 2]" 1
124 1 40 GLN HE22 1 40 GLN HG3 3.500 . 4.000 3.796 3.777 3.811 . 0 0 "[ . 1 . 2]" 1
125 1 40 GLN H 1 40 GLN HG3 3.500 . 4.000 3.951 3.907 3.998 . 0 0 "[ . 1 . 2]" 1
126 1 40 GLN H 1 40 GLN HG2 3.500 . 4.000 2.743 2.668 2.806 . 0 0 "[ . 1 . 2]" 1
127 1 40 GLN HA 1 40 GLN HE21 4.000 . 5.000 2.210 1.994 2.390 . 0 0 "[ . 1 . 2]" 1
128 1 40 GLN HA 1 40 GLN HG3 3.000 . 3.500 3.559 3.543 3.577 0.077 8 0 "[ . 1 . 2]" 1
129 1 40 GLN HA 1 40 GLN HG2 3.000 . 3.500 2.820 2.757 2.866 . 0 0 "[ . 1 . 2]" 1
130 1 41 ILE H 1 41 ILE HB 3.500 . 4.000 2.273 2.098 2.473 . 0 0 "[ . 1 . 2]" 1
131 1 41 ILE H 1 41 ILE MD 4.000 . 5.000 2.529 2.298 2.797 . 0 0 "[ . 1 . 2]" 1
132 1 41 ILE H 1 41 ILE HG13 3.500 . 4.000 3.888 3.626 4.092 0.092 11 0 "[ . 1 . 2]" 1
133 1 41 ILE H 1 41 ILE HG12 3.500 . 4.000 2.982 2.140 3.838 . 0 0 "[ . 1 . 2]" 1
134 1 41 ILE H 1 41 ILE MG 3.500 . 4.000 3.635 3.526 3.724 . 0 0 "[ . 1 . 2]" 1
135 1 41 ILE HA 1 41 ILE MD 4.000 . 5.000 1.953 1.807 2.126 . 0 0 "[ . 1 . 2]" 1
136 1 41 ILE HA 1 41 ILE HG13 3.500 . 4.000 3.111 2.503 3.677 . 0 0 "[ . 1 . 2]" 1
137 1 41 ILE HA 1 41 ILE HG12 4.000 . 5.000 3.489 3.325 3.617 . 0 0 "[ . 1 . 2]" 1
138 1 41 ILE HA 1 41 ILE MG 3.000 . 3.500 2.555 2.409 2.716 . 0 0 "[ . 1 . 2]" 1
139 1 41 ILE HB 1 41 ILE MD 3.500 . 4.000 2.930 2.582 3.240 . 0 0 "[ . 1 . 2]" 1
140 1 41 ILE MD 1 41 ILE MG 3.500 . 4.000 2.797 2.278 3.263 . 0 0 "[ . 1 . 2]" 1
141 1 42 LEU H 1 42 LEU HB3 3.000 . 3.500 3.483 3.438 3.504 0.004 20 0 "[ . 1 . 2]" 1
142 1 42 LEU H 1 42 LEU HB2 3.000 . 3.500 2.258 2.176 2.373 . 0 0 "[ . 1 . 2]" 1
143 1 42 LEU H 1 42 LEU MD1 4.000 . 5.000 3.114 2.781 3.715 . 0 0 "[ . 1 . 2]" 1
144 1 42 LEU H 1 42 LEU MD2 4.000 . 5.000 3.732 3.138 3.936 . 0 0 "[ . 1 . 2]" 1
145 1 42 LEU H 1 42 LEU HG 3.000 . 3.500 2.458 2.200 2.677 . 0 0 "[ . 1 . 2]" 1
146 1 42 LEU HA 1 42 LEU MD1 3.000 . 3.500 3.757 3.663 3.794 0.294 16 0 "[ . 1 . 2]" 1
147 1 42 LEU HA 1 42 LEU MD2 3.500 . 4.000 2.212 1.765 2.518 0.035 18 0 "[ . 1 . 2]" 1
148 1 42 LEU HB3 1 42 LEU MD2 3.000 . 3.500 2.242 2.137 2.497 . 0 0 "[ . 1 . 2]" 1
149 1 42 LEU HB2 1 42 LEU MD1 3.000 . 3.500 2.200 2.098 2.448 . 0 0 "[ . 1 . 2]" 1
150 1 43 THR H 1 43 THR MG 4.000 . 5.000 3.153 2.032 3.731 . 0 0 "[ . 1 . 2]" 1
151 1 43 THR HA 1 43 THR MG 3.000 . 3.500 2.771 2.426 3.226 . 0 0 "[ . 1 . 2]" 1
152 1 44 ASN QB 1 44 ASN HD21 3.000 . 3.500 2.544 2.045 2.817 . 0 0 "[ . 1 . 2]" 1
153 1 44 ASN QB 1 44 ASN HD22 3.000 . 3.500 3.387 3.171 3.497 . 0 0 "[ . 1 . 2]" 1
154 1 44 ASN H 1 44 ASN QB 3.000 . 3.500 2.309 1.972 2.534 . 0 0 "[ . 1 . 2]" 1
155 1 44 ASN H 1 44 ASN HD22 4.000 . 5.000 4.245 3.726 5.179 0.179 18 0 "[ . 1 . 2]" 1
156 1 45 GLU H 1 45 GLU HB3 3.500 . 4.000 3.959 3.566 4.107 0.107 13 0 "[ . 1 . 2]" 1
157 1 45 GLU H 1 45 GLU HB2 3.500 . 4.000 3.114 2.386 3.439 . 0 0 "[ . 1 . 2]" 1
158 1 45 GLU H 1 45 GLU QG 3.000 . 3.500 2.948 2.137 3.541 0.041 5 0 "[ . 1 . 2]" 1
159 1 46 GLN H 1 46 GLN HB3 3.000 . 3.500 3.594 3.309 3.944 0.444 8 0 "[ . 1 . 2]" 1
160 1 46 GLN H 1 46 GLN HB2 3.000 . 3.500 2.544 2.082 3.334 . 0 0 "[ . 1 . 2]" 1
161 1 46 GLN H 1 46 GLN QG 3.000 . 3.500 2.675 2.008 3.663 0.163 15 0 "[ . 1 . 2]" 1
162 1 47 ASP H 1 47 ASP HB3 3.000 . 3.500 2.837 2.457 3.599 0.099 6 0 "[ . 1 . 2]" 1
163 1 47 ASP H 1 47 ASP HB2 3.000 . 3.500 2.825 2.271 3.633 0.133 2 0 "[ . 1 . 2]" 1
164 1 48 ILE H 1 48 ILE HB 3.000 . 3.500 3.241 1.925 3.638 0.138 10 0 "[ . 1 . 2]" 1
165 1 48 ILE H 1 48 ILE HG13 3.000 . 3.500 2.874 2.484 3.603 0.103 18 0 "[ . 1 . 2]" 1
166 1 48 ILE H 1 48 ILE HG12 3.500 . 4.000 3.607 3.183 4.250 0.250 18 0 "[ . 1 . 2]" 1
167 1 48 ILE H 1 48 ILE MG 3.500 . 4.000 3.890 2.868 4.105 0.105 2 0 "[ . 1 . 2]" 1
168 1 48 ILE HA 1 48 ILE HG13 3.000 . 3.500 2.902 2.244 3.146 . 0 0 "[ . 1 . 2]" 1
169 1 48 ILE HA 1 48 ILE HG12 3.000 . 3.500 2.493 2.298 2.641 . 0 0 "[ . 1 . 2]" 1
170 1 48 ILE HA 1 48 ILE MD 4.000 . 5.000 3.795 3.651 3.886 . 0 0 "[ . 1 . 2]" 1
171 1 48 ILE HA 1 48 ILE MG 3.500 . 4.000 2.514 2.342 3.118 . 0 0 "[ . 1 . 2]" 1
172 1 48 ILE HB 1 48 ILE MD 3.500 . 4.000 2.436 2.372 2.478 . 0 0 "[ . 1 . 2]" 1
173 1 49 LYS H 1 49 LYS HB3 3.000 . 3.500 3.217 2.265 3.711 0.211 11 0 "[ . 1 . 2]" 1
174 1 49 LYS H 1 49 LYS HB2 3.000 . 3.500 2.955 2.218 3.614 0.114 13 0 "[ . 1 . 2]" 1
175 1 49 LYS H 1 49 LYS QG 3.000 . 3.500 2.682 1.740 3.802 0.302 20 0 "[ . 1 . 2]" 1
176 1 49 LYS HA 1 49 LYS QG 3.000 . 3.500 2.756 2.358 3.350 . 0 0 "[ . 1 . 2]" 1
177 1 50 PRO HB3 1 50 PRO HD2 3.000 . 3.500 3.706 3.676 3.734 0.234 2 0 "[ . 1 . 2]" 1
178 1 50 PRO HB2 1 50 PRO HD2 3.000 . 3.500 2.591 2.527 2.756 . 0 0 "[ . 1 . 2]" 1
179 1 50 PRO HA 1 50 PRO HD3 3.500 . 4.000 3.605 3.421 3.874 . 0 0 "[ . 1 . 2]" 1
180 1 50 PRO HA 1 50 PRO HD2 4.000 . 5.000 3.847 3.803 3.880 . 0 0 "[ . 1 . 2]" 1
181 1 50 PRO HA 1 50 PRO QG 2.500 . 3.000 2.522 2.340 2.933 . 0 0 "[ . 1 . 2]" 1
182 1 51 VAL H 1 51 VAL HB 2.500 . 3.000 2.677 2.630 2.770 . 0 0 "[ . 1 . 2]" 1
183 1 51 VAL H 1 51 VAL QG 3.500 . 4.000 2.329 2.076 2.725 . 0 0 "[ . 1 . 2]" 1
184 1 52 THR H 1 52 THR HB 3.000 . 3.500 3.599 3.540 3.832 0.332 18 0 "[ . 1 . 2]" 1
185 1 52 THR H 1 52 THR MG 4.000 . 5.000 2.215 2.050 2.406 . 0 0 "[ . 1 . 2]" 1
186 1 53 THR H 1 53 THR HB 2.500 . 3.000 2.896 2.624 3.046 0.046 20 0 "[ . 1 . 2]" 1
187 1 53 THR H 1 53 THR MG 3.500 . 4.000 2.295 1.947 3.883 . 0 0 "[ . 1 . 2]" 1
188 1 54 ASP H 1 54 ASP HB3 3.000 . 3.500 3.516 3.471 3.883 0.383 13 0 "[ . 1 . 2]" 1
189 1 54 ASP H 1 54 ASP HB2 2.500 . 3.000 2.360 2.196 3.125 0.125 13 0 "[ . 1 . 2]" 1
190 1 55 TYR H 1 55 TYR HB3 3.000 . 3.500 3.584 3.567 3.601 0.101 19 0 "[ . 1 . 2]" 1
191 1 55 TYR H 1 55 TYR HB2 3.500 . 4.000 2.442 2.331 2.615 . 0 0 "[ . 1 . 2]" 1
192 1 55 TYR H 1 55 TYR QD 4.000 . 5.000 3.174 2.902 3.298 . 0 0 "[ . 1 . 2]" 1
193 1 55 TYR H 1 55 TYR QE 4.500 . 5.500 4.588 4.333 4.712 . 0 0 "[ . 1 . 2]" 1
194 1 55 TYR HA 1 55 TYR QD 3.500 . 4.000 2.094 1.875 2.345 . 0 0 "[ . 1 . 2]" 1
195 1 56 PHE H 1 56 PHE QD 4.000 . 5.000 3.041 2.722 3.277 . 0 0 "[ . 1 . 2]" 1
196 1 56 PHE HA 1 56 PHE QD 4.000 . 5.000 3.735 3.706 3.752 . 0 0 "[ . 1 . 2]" 1
197 1 57 LEU H 1 57 LEU HB3 4.000 . 5.000 3.550 2.079 3.743 . 0 0 "[ . 1 . 2]" 1
198 1 57 LEU H 1 57 LEU HB2 3.500 . 4.000 2.617 2.516 3.377 . 0 0 "[ . 1 . 2]" 1
199 1 57 LEU H 1 57 LEU MD1 3.500 . 4.000 2.305 2.016 4.107 0.107 17 0 "[ . 1 . 2]" 1
200 1 57 LEU H 1 57 LEU MD2 3.500 . 4.000 3.974 3.869 4.169 0.169 15 0 "[ . 1 . 2]" 1
201 1 57 LEU H 1 57 LEU HG 3.500 . 4.000 3.932 3.449 4.032 0.032 16 0 "[ . 1 . 2]" 1
202 1 57 LEU HA 1 57 LEU MD1 4.000 . 5.000 2.777 2.190 2.926 . 0 0 "[ . 1 . 2]" 1
203 1 57 LEU HA 1 57 LEU MD2 4.000 . 5.000 3.899 3.741 4.053 . 0 0 "[ . 1 . 2]" 1
204 1 57 LEU HA 1 57 LEU HG 3.500 . 4.000 2.822 2.624 3.728 . 0 0 "[ . 1 . 2]" 1
205 1 58 MET H 1 58 MET HB3 3.500 . 4.000 3.694 2.888 4.012 0.012 10 0 "[ . 1 . 2]" 1
206 1 58 MET H 1 58 MET HB2 3.500 . 4.000 3.229 2.844 4.010 0.010 20 0 "[ . 1 . 2]" 1
207 1 58 MET HA 1 58 MET HG3 3.500 . 4.000 3.252 2.630 3.575 . 0 0 "[ . 1 . 2]" 1
208 1 58 MET HA 1 58 MET HG2 3.500 . 4.000 2.970 2.293 4.162 0.162 15 0 "[ . 1 . 2]" 1
209 1 58 MET HA 1 58 MET ME 4.000 . 5.000 4.010 3.297 4.978 . 0 0 "[ . 1 . 2]" 1
210 1 58 MET HB3 1 58 MET ME 3.000 . 3.500 2.127 1.768 3.522 0.032 8 0 "[ . 1 . 2]" 1
211 1 58 MET ME 1 58 MET HG3 3.500 . 4.000 3.047 2.731 3.369 . 0 0 "[ . 1 . 2]" 1
212 1 58 MET ME 1 58 MET HG2 3.500 . 4.000 2.883 2.098 3.288 . 0 0 "[ . 1 . 2]" 1
213 1 59 GLU H 1 59 GLU QB 3.500 . 4.000 2.473 2.016 3.129 . 0 0 "[ . 1 . 2]" 1
214 1 59 GLU H 1 59 GLU HG3 3.500 . 4.000 3.212 2.218 4.204 0.204 19 0 "[ . 1 . 2]" 1
215 1 59 GLU H 1 59 GLU HG2 3.500 . 4.000 3.409 2.137 4.049 0.049 14 0 "[ . 1 . 2]" 1
216 1 59 GLU HA 1 59 GLU QG 3.000 . 3.500 2.631 1.989 3.404 . 0 0 "[ . 1 . 2]" 1
217 1 60 GLU H 1 60 GLU QB 3.500 . 4.000 2.536 2.258 3.093 . 0 0 "[ . 1 . 2]" 1
218 1 60 GLU H 1 60 GLU HG2 3.500 . 4.000 3.065 1.928 4.156 0.156 18 0 "[ . 1 . 2]" 1
219 1 60 GLU HA 1 60 GLU HG3 3.500 . 4.000 3.520 2.674 3.863 . 0 0 "[ . 1 . 2]" 1
220 1 60 GLU HA 1 60 GLU HG2 3.500 . 4.000 2.985 2.297 3.824 . 0 0 "[ . 1 . 2]" 1
221 1 61 LYS HB3 1 61 LYS QD 3.000 . 3.500 2.873 2.096 3.490 . 0 0 "[ . 1 . 2]" 1
222 1 61 LYS HB2 1 61 LYS QD 2.500 . 3.000 2.779 2.270 3.257 0.257 19 0 "[ . 1 . 2]" 1
223 1 61 LYS HB3 1 61 LYS QE 4.000 . 5.000 4.107 3.484 4.503 . 0 0 "[ . 1 . 2]" 1
224 1 61 LYS HB2 1 61 LYS QE 4.000 . 5.000 3.903 1.981 4.512 . 0 0 "[ . 1 . 2]" 1
225 1 61 LYS HA 1 61 LYS QD 2.500 . 3.000 2.409 1.905 3.022 0.022 18 0 "[ . 1 . 2]" 1
226 1 61 LYS HA 1 61 LYS QE 4.000 . 5.000 4.113 2.592 4.810 . 0 0 "[ . 1 . 2]" 1
227 1 61 LYS HA 1 61 LYS QG 2.500 . 3.000 2.685 2.247 3.117 0.117 19 0 "[ . 1 . 2]" 1
228 1 64 ILE HA 1 64 ILE HG13 3.000 . 3.500 3.207 2.545 3.696 0.196 7 0 "[ . 1 . 2]" 1
229 1 64 ILE HA 1 64 ILE HG12 3.000 . 3.500 2.896 2.488 3.612 0.112 14 0 "[ . 1 . 2]" 1
230 1 64 ILE HA 1 64 ILE MD 4.000 . 5.000 3.613 1.940 4.169 . 0 0 "[ . 1 . 2]" 1
231 1 64 ILE HA 1 64 ILE MG 3.500 . 4.000 2.461 2.168 3.201 . 0 0 "[ . 1 . 2]" 1
232 1 64 ILE HB 1 64 ILE MD . . 3.500 2.558 2.396 3.234 . 0 0 "[ . 1 . 2]" 1
233 1 64 ILE HG13 1 64 ILE MG 3.000 . 3.500 3.063 2.261 3.218 . 0 0 "[ . 1 . 2]" 1
234 1 65 SER H 1 65 SER HB3 3.500 . 4.000 3.488 2.646 4.066 0.066 15 0 "[ . 1 . 2]" 1
235 1 65 SER H 1 65 SER HB2 3.500 . 4.000 2.946 2.511 3.707 . 0 0 "[ . 1 . 2]" 1
236 1 66 LYS H 1 66 LYS HB3 3.500 . 4.000 3.394 2.499 3.910 . 0 0 "[ . 1 . 2]" 1
237 1 66 LYS H 1 66 LYS HB2 4.000 . 5.000 3.328 2.476 4.003 . 0 0 "[ . 1 . 2]" 1
238 1 66 LYS H 1 66 LYS QG 4.000 . 5.000 2.545 1.780 4.270 0.020 17 0 "[ . 1 . 2]" 1
239 1 68 LYS H 1 68 LYS QB 3.000 . 3.500 2.835 2.241 3.420 . 0 0 "[ . 1 . 2]" 1
240 1 68 LYS H 1 68 LYS QG 3.500 . 4.000 3.419 2.463 4.099 0.099 12 0 "[ . 1 . 2]" 1
241 1 68 LYS HA 1 68 LYS QD 2.500 . 3.000 2.176 1.900 3.031 0.031 10 0 "[ . 1 . 2]" 1
242 1 68 LYS HA 1 68 LYS QG 2.500 . 3.000 2.742 2.322 3.034 0.034 3 0 "[ . 1 . 2]" 1
243 1 69 ASN QB 1 69 ASN HD22 3.000 . 3.500 3.286 3.206 3.494 . 0 0 "[ . 1 . 2]" 1
244 1 69 ASN H 1 69 ASN QB 3.500 . 4.000 2.796 2.312 3.362 . 0 0 "[ . 1 . 2]" 1
245 1 70 GLU H 1 70 GLU HB3 3.000 . 3.500 3.092 2.403 3.841 0.341 18 0 "[ . 1 . 2]" 1
246 1 70 GLU H 1 70 GLU HB2 3.000 . 3.500 2.823 2.215 3.583 0.083 19 0 "[ . 1 . 2]" 1
247 1 70 GLU H 1 70 GLU QG 3.500 . 4.000 3.358 2.363 4.085 0.085 8 0 "[ . 1 . 2]" 1
248 1 71 CYS H 1 71 CYS QB 3.000 . 3.500 2.729 2.405 3.371 . 0 0 "[ . 1 . 2]" 1
249 1 72 ARG H 1 72 ARG QB 3.500 . 4.000 2.481 2.161 3.056 . 0 0 "[ . 1 . 2]" 1
250 1 72 ARG H 1 72 ARG QG 3.500 . 4.000 3.341 2.345 4.131 0.131 11 0 "[ . 1 . 2]" 1
251 1 73 LYS H 1 73 LYS HB3 3.000 . 3.500 3.050 2.337 3.676 0.176 9 0 "[ . 1 . 2]" 1
252 1 73 LYS H 1 73 LYS HB2 3.000 . 3.500 2.593 2.277 3.569 0.069 11 0 "[ . 1 . 2]" 1
253 1 73 LYS H 1 73 LYS QG 3.500 . 4.000 3.171 2.158 4.118 0.118 1 0 "[ . 1 . 2]" 1
254 1 74 GLN HA 1 74 GLN QG 3.000 . 3.500 2.654 2.358 3.351 . 0 0 "[ . 1 . 2]" 1
255 1 76 PHE HA 1 76 PHE QD 3.500 . 4.000 2.984 2.320 3.749 . 0 0 "[ . 1 . 2]" 1
256 1 78 ARG HA 1 78 ARG HG3 3.500 . 4.000 3.175 2.454 3.831 . 0 0 "[ . 1 . 2]" 1
257 1 80 ILE H 1 80 ILE HB 4.000 . 5.000 2.387 2.272 2.590 . 0 0 "[ . 1 . 2]" 1
258 1 80 ILE H 1 80 ILE MD 4.500 . 5.500 3.763 3.587 3.898 . 0 0 "[ . 1 . 2]" 1
259 1 80 ILE H 1 80 ILE HG12 4.000 . 5.000 2.960 2.571 3.560 . 0 0 "[ . 1 . 2]" 1
260 1 80 ILE H 1 80 ILE MG 4.000 . 5.000 3.715 3.658 3.780 . 0 0 "[ . 1 . 2]" 1
261 1 80 ILE HA 1 80 ILE MD 3.000 . 3.500 2.291 1.786 3.696 0.196 15 0 "[ . 1 . 2]" 1
262 1 80 ILE HA 1 80 ILE HG13 3.500 . 4.000 3.469 2.861 3.685 . 0 0 "[ . 1 . 2]" 1
263 1 80 ILE HA 1 80 ILE HG12 3.000 . 3.500 2.695 2.299 2.914 . 0 0 "[ . 1 . 2]" 1
264 1 80 ILE HA 1 80 ILE MG 3.000 . 3.500 2.502 2.280 2.618 . 0 0 "[ . 1 . 2]" 1
265 1 80 ILE HB 1 80 ILE MD 3.500 . 4.000 3.032 2.360 3.225 . 0 0 "[ . 1 . 2]" 1
266 1 80 ILE HG12 1 80 ILE MG 3.000 . 3.500 3.012 2.378 3.204 . 0 0 "[ . 1 . 2]" 1
267 1 82 PRO HB2 1 82 PRO HD2 3.500 . 4.000 2.785 2.740 2.830 . 0 0 "[ . 1 . 2]" 1
268 1 82 PRO HA 1 82 PRO HD2 3.000 . 3.500 3.824 3.816 3.830 0.330 2 0 "[ . 1 . 2]" 1
269 1 83 GLU H 1 83 GLU HB3 3.000 . 3.500 3.538 3.500 3.567 0.067 13 0 "[ . 1 . 2]" 1
270 1 83 GLU H 1 83 GLU HG3 3.000 . 3.500 3.065 1.841 3.617 0.117 3 0 "[ . 1 . 2]" 1
271 1 83 GLU H 1 83 GLU HG2 3.000 . 3.500 2.871 2.040 3.633 0.133 10 0 "[ . 1 . 2]" 1
272 1 82 PRO HA 1 82 PRO QG 2.500 . 3.000 2.824 2.691 2.931 . 0 0 "[ . 1 . 2]" 1
273 1 83 GLU HA 1 83 GLU HG3 3.000 . 3.500 3.205 2.415 3.681 0.181 11 0 "[ . 1 . 2]" 1
274 1 83 GLU HA 1 83 GLU HG2 3.000 . 3.500 3.028 2.311 3.648 0.148 1 0 "[ . 1 . 2]" 1
275 1 84 GLU H 1 84 GLU QB 3.000 . 3.500 2.421 2.312 2.494 . 0 0 "[ . 1 . 2]" 1
276 1 84 GLU H 1 84 GLU HG3 3.000 . 3.500 2.417 2.067 3.533 0.033 20 0 "[ . 1 . 2]" 1
277 1 84 GLU H 1 84 GLU HG2 3.000 . 3.500 3.523 3.414 3.680 0.180 19 0 "[ . 1 . 2]" 1
278 1 84 GLU HA 1 84 GLU HG3 2.500 . 3.000 2.938 2.456 3.081 0.081 14 0 "[ . 1 . 2]" 1
279 1 84 GLU HA 1 84 GLU HG2 3.000 . 3.500 2.753 2.456 3.653 0.153 16 0 "[ . 1 . 2]" 1
280 1 85 GLU H 1 85 GLU QB 3.000 . 3.500 2.460 2.393 2.684 . 0 0 "[ . 1 . 2]" 1
281 1 85 GLU H 1 85 GLU HG3 3.000 . 3.500 2.329 2.104 2.608 . 0 0 "[ . 1 . 2]" 1
282 1 85 GLU H 1 85 GLU HG2 3.000 . 3.500 3.459 3.250 3.574 0.074 6 0 "[ . 1 . 2]" 1
283 1 86 ILE H 1 86 ILE HB 3.500 . 4.000 3.605 3.566 3.640 . 0 0 "[ . 1 . 2]" 1
284 1 86 ILE H 1 86 ILE MD 4.000 . 5.000 3.490 1.786 3.740 0.014 14 0 "[ . 1 . 2]" 1
285 1 86 ILE H 1 86 ILE HG13 4.000 . 5.000 3.185 3.049 3.902 . 0 0 "[ . 1 . 2]" 1
286 1 86 ILE H 1 86 ILE HG12 4.000 . 5.000 2.062 1.799 3.329 0.001 18 0 "[ . 1 . 2]" 1
287 1 86 ILE H 1 86 ILE MG 4.000 . 5.000 2.155 1.958 2.279 . 0 0 "[ . 1 . 2]" 1
288 1 86 ILE HA 1 86 ILE MD 4.000 . 5.000 4.149 3.640 4.185 . 0 0 "[ . 1 . 2]" 1
289 1 86 ILE HA 1 86 ILE HG13 4.000 . 5.000 3.754 3.670 4.238 . 0 0 "[ . 1 . 2]" 1
290 1 86 ILE HA 1 86 ILE HG12 4.000 . 5.000 3.707 3.623 3.789 . 0 0 "[ . 1 . 2]" 1
291 1 86 ILE HA 1 86 ILE MG 3.000 . 3.500 2.291 2.237 2.381 . 0 0 "[ . 1 . 2]" 1
292 1 86 ILE HB 1 86 ILE MD 3.500 . 4.000 2.479 2.372 3.233 . 0 0 "[ . 1 . 2]" 1
293 1 87 MET H 1 87 MET QB 3.500 . 4.000 2.309 2.211 2.464 . 0 0 "[ . 1 . 2]" 1
294 1 87 MET H 1 87 MET HG3 4.000 . 5.000 4.052 3.614 4.568 . 0 0 "[ . 1 . 2]" 1
295 1 87 MET H 1 87 MET HG2 4.000 . 5.000 3.203 2.264 4.632 . 0 0 "[ . 1 . 2]" 1
296 1 88 GLN H 1 88 GLN QB 2.500 . 3.000 2.439 2.075 2.612 . 0 0 "[ . 1 . 2]" 1
297 1 88 GLN H 1 88 GLN HG3 3.000 . 3.500 2.469 2.002 3.908 0.408 12 0 "[ . 1 . 2]" 1
298 1 88 GLN H 1 88 GLN HG2 4.000 . 5.000 3.557 2.637 4.335 . 0 0 "[ . 1 . 2]" 1
299 1 88 GLN HA 1 88 GLN HG3 2.500 . 3.000 3.077 3.021 3.325 0.325 14 0 "[ . 1 . 2]" 1
300 1 88 GLN HA 1 88 GLN HG2 3.000 . 3.500 2.722 2.459 3.810 0.310 12 0 "[ . 1 . 2]" 1
301 1 89 ILE H 1 89 ILE HB 3.500 . 4.000 2.603 2.506 2.653 . 0 0 "[ . 1 . 2]" 1
302 1 89 ILE H 1 89 ILE HG13 3.000 . 3.500 3.328 1.736 3.455 0.064 9 0 "[ . 1 . 2]" 1
303 1 89 ILE H 1 89 ILE HG12 3.500 . 4.000 1.919 1.793 3.042 0.007 19 0 "[ . 1 . 2]" 1
304 1 89 ILE H 1 89 ILE MG 4.000 . 5.000 3.726 3.708 3.747 . 0 0 "[ . 1 . 2]" 1
305 1 89 ILE HA 1 89 ILE HG13 3.000 . 3.500 3.659 3.092 3.717 0.217 5 0 "[ . 1 . 2]" 1
306 1 89 ILE HA 1 89 ILE HG12 3.000 . 3.500 3.173 2.627 3.241 . 0 0 "[ . 1 . 2]" 1
307 1 89 ILE HA 1 89 ILE MG 3.000 . 3.500 2.322 2.283 2.375 . 0 0 "[ . 1 . 2]" 1
308 1 89 ILE HA 1 89 ILE MD 3.500 . 4.000 2.146 2.024 3.878 . 0 0 "[ . 1 . 2]" 1
309 1 89 ILE HB 1 89 ILE MD 3.000 . 3.500 3.196 2.366 3.245 . 0 0 "[ . 1 . 2]" 1
310 1 89 ILE MD 1 89 ILE MG 3.000 . 3.500 2.054 1.960 2.133 . 0 0 "[ . 1 . 2]" 1
311 1 89 ILE HG12 1 89 ILE MG 3.500 . 4.000 3.159 2.376 3.208 . 0 0 "[ . 1 . 2]" 1
312 1 90 LEU H 1 90 LEU HB3 3.500 . 4.000 3.563 3.557 3.577 . 0 0 "[ . 1 . 2]" 1
313 1 90 LEU H 1 90 LEU HB2 3.500 . 4.000 2.408 2.301 2.450 . 0 0 "[ . 1 . 2]" 1
314 1 90 LEU H 1 90 LEU QD 4.000 . 5.000 2.854 2.036 3.090 . 0 0 "[ . 1 . 2]" 1
315 1 90 LEU H 1 90 LEU HG 3.500 . 4.000 2.622 2.222 4.042 0.042 11 0 "[ . 1 . 2]" 1
316 1 90 LEU HA 1 90 LEU MD1 3.500 . 4.000 3.486 1.864 3.906 . 0 0 "[ . 1 . 2]" 1
317 1 90 LEU HA 1 90 LEU MD2 4.000 . 5.000 2.306 2.014 2.880 . 0 0 "[ . 1 . 2]" 1
318 1 90 LEU HA 1 90 LEU HG 4.000 . 5.000 3.049 2.835 3.681 . 0 0 "[ . 1 . 2]" 1
319 1 91 SER H 1 91 SER QB 3.000 . 3.500 2.454 2.172 2.786 . 0 0 "[ . 1 . 2]" 1
320 1 92 SER H 1 92 SER QB 3.500 . 4.000 2.458 2.273 2.872 . 0 0 "[ . 1 . 2]" 1
321 1 93 TRP H 1 93 TRP HB3 4.000 . 5.000 3.096 2.429 4.178 . 0 0 "[ . 1 . 2]" 1
322 1 93 TRP H 1 93 TRP HB2 4.000 . 5.000 3.000 2.378 3.659 . 0 0 "[ . 1 . 2]" 1
323 1 93 TRP H 1 93 TRP HE3 4.000 . 5.000 4.445 3.359 4.796 . 0 0 "[ . 1 . 2]" 1
324 1 93 TRP HA 1 93 TRP HD1 4.000 . 5.000 3.574 2.582 4.557 . 0 0 "[ . 1 . 2]" 1
325 1 94 PHE H 1 94 PHE HB3 4.000 . 5.000 3.655 3.105 4.096 . 0 0 "[ . 1 . 2]" 1
326 1 97 GLU H 1 97 GLU HB3 3.500 . 4.000 3.427 2.594 4.102 0.102 16 0 "[ . 1 . 2]" 1
327 1 97 GLU H 1 97 GLU HB2 3.500 . 4.000 2.963 2.304 3.764 . 0 0 "[ . 1 . 2]" 1
328 1 97 GLU H 1 97 GLU QG 4.000 . 5.000 3.344 2.026 4.377 . 0 0 "[ . 1 . 2]" 1
329 1 99 TYR H 1 99 TYR QB 3.500 . 4.000 2.630 2.237 3.161 . 0 0 "[ . 1 . 2]" 1
330 1 99 TYR H 1 99 TYR QD 4.000 . 5.000 3.128 1.855 4.542 . 0 0 "[ . 1 . 2]" 1
331 1 100 MET HA 1 100 MET QG 3.000 . 3.500 2.790 2.349 3.338 . 0 0 "[ . 1 . 2]" 1
332 1 100 MET HA 1 100 MET ME 4.500 . 5.500 3.785 2.503 5.395 . 0 0 "[ . 1 . 2]" 1
333 1 100 MET HB3 1 100 MET ME 4.000 . 5.000 2.914 1.855 4.070 . 0 0 "[ . 1 . 2]" 1
334 1 100 MET HB2 1 100 MET ME 3.500 . 4.000 2.719 1.906 4.191 0.191 18 0 "[ . 1 . 2]" 1
335 1 102 ARG HA 1 102 ARG HG3 4.000 . 5.000 3.846 2.643 4.266 . 0 0 "[ . 1 . 2]" 1
336 1 102 ARG HA 1 102 ARG HG2 3.500 . 4.000 3.723 3.307 3.847 . 0 0 "[ . 1 . 2]" 1
337 1 103 ILE H 1 103 ILE HB 4.000 . 5.000 2.505 2.366 2.631 . 0 0 "[ . 1 . 2]" 1
338 1 103 ILE H 1 103 ILE HG13 3.500 . 4.000 2.755 2.367 3.786 . 0 0 "[ . 1 . 2]" 1
339 1 103 ILE H 1 103 ILE HG12 4.000 . 5.000 3.522 2.337 4.039 . 0 0 "[ . 1 . 2]" 1
340 1 103 ILE H 1 103 ILE MG 3.500 . 4.000 3.782 3.705 3.840 . 0 0 "[ . 1 . 2]" 1
341 1 103 ILE HA 1 103 ILE HG13 3.500 . 4.000 3.185 2.952 3.790 . 0 0 "[ . 1 . 2]" 1
342 1 103 ILE HA 1 103 ILE HG12 3.500 . 4.000 2.483 2.321 3.047 . 0 0 "[ . 1 . 2]" 1
343 1 103 ILE HA 1 103 ILE MG 3.000 . 3.500 2.436 2.364 2.557 . 0 0 "[ . 1 . 2]" 1
344 1 103 ILE HA 1 103 ILE MD 4.000 . 5.000 3.585 2.066 3.810 . 0 0 "[ . 1 . 2]" 1
345 1 103 ILE HG13 1 103 ILE MG 3.500 . 4.000 3.118 2.381 3.209 . 0 0 "[ . 1 . 2]" 1
346 1 103 ILE HG12 1 103 ILE MG 3.000 . 3.500 2.561 2.417 3.204 . 0 0 "[ . 1 . 2]" 1
347 1 104 VAL H 1 104 VAL HB 3.000 . 3.500 3.328 2.348 3.676 0.176 14 0 "[ . 1 . 2]" 1
348 1 104 VAL H 1 104 VAL MG1 3.500 . 4.000 3.265 1.790 3.818 0.010 10 0 "[ . 1 . 2]" 1
349 1 104 VAL H 1 104 VAL MG2 3.000 . 3.500 2.196 1.849 3.750 0.250 10 0 "[ . 1 . 2]" 1
350 1 104 VAL HA 1 104 VAL MG1 3.000 . 3.500 2.321 2.152 3.177 . 0 0 "[ . 1 . 2]" 1
351 1 104 VAL HA 1 104 VAL MG2 3.000 . 3.500 2.938 2.146 3.193 . 0 0 "[ . 1 . 2]" 1
352 1 105 LEU H 1 105 LEU HB3 2.500 . 3.000 2.716 2.531 2.866 . 0 0 "[ . 1 . 2]" 1
353 1 105 LEU H 1 105 LEU HB2 3.500 . 4.000 2.396 2.246 2.798 . 0 0 "[ . 1 . 2]" 1
354 1 105 LEU H 1 105 LEU QD 4.000 . 5.000 3.572 3.429 3.815 . 0 0 "[ . 1 . 2]" 1
355 1 105 LEU HA 1 105 LEU MD1 4.000 . 5.000 1.782 1.729 1.872 0.071 9 0 "[ . 1 . 2]" 1
356 1 105 LEU HA 1 105 LEU MD2 4.500 . 5.500 3.797 3.706 3.825 . 0 0 "[ . 1 . 2]" 1
357 1 105 LEU HB3 1 105 LEU MD2 3.000 . 3.500 2.331 2.272 2.459 . 0 0 "[ . 1 . 2]" 1
358 1 106 LYS H 1 106 LYS HB3 4.000 . 5.000 3.635 3.533 3.759 . 0 0 "[ . 1 . 2]" 1
359 1 106 LYS H 1 106 LYS HB2 3.500 . 4.000 2.432 2.268 2.632 . 0 0 "[ . 1 . 2]" 1
360 1 106 LYS H 1 106 LYS QD 4.000 . 5.000 3.994 3.574 4.361 . 0 0 "[ . 1 . 2]" 1
361 1 106 LYS H 1 106 LYS QG 3.500 . 4.000 2.807 2.519 3.024 . 0 0 "[ . 1 . 2]" 1
362 1 106 LYS HA 1 106 LYS QD 2.500 . 3.000 2.108 1.859 2.793 . 0 0 "[ . 1 . 2]" 1
363 1 106 LYS HA 1 106 LYS HE2 4.000 . 5.000 3.986 1.791 4.706 0.009 11 0 "[ . 1 . 2]" 1
364 1 106 LYS HA 1 106 LYS QG 3.000 . 3.500 2.813 2.617 3.019 . 0 0 "[ . 1 . 2]" 1
365 1 106 LYS HB2 1 106 LYS HE2 4.000 . 5.000 4.591 3.705 4.950 . 0 0 "[ . 1 . 2]" 1
366 1 106 LYS HE2 1 106 LYS QG 3.500 . 4.000 2.526 2.303 2.938 . 0 0 "[ . 1 . 2]" 1
367 1 107 THR H 1 107 THR HB 4.000 . 5.000 3.721 3.006 3.855 . 0 0 "[ . 1 . 2]" 1
368 1 107 THR H 1 107 THR MG 3.500 . 4.000 2.880 2.667 3.961 . 0 0 "[ . 1 . 2]" 1
369 1 107 THR HA 1 107 THR MG 3.000 . 3.500 2.403 2.222 2.497 . 0 0 "[ . 1 . 2]" 1
370 1 108 GLN H 1 108 GLN HB3 3.000 . 3.500 3.040 2.523 3.587 0.087 20 0 "[ . 1 . 2]" 1
371 1 108 GLN H 1 108 GLN HB2 3.000 . 3.500 2.326 2.119 2.544 . 0 0 "[ . 1 . 2]" 1
372 1 108 GLN H 1 108 GLN QG 3.500 . 4.000 3.470 2.401 4.061 0.061 17 0 "[ . 1 . 2]" 1
373 1 108 GLN HA 1 108 GLN QG 2.500 . 3.000 2.558 2.198 2.971 . 0 0 "[ . 1 . 2]" 1
374 1 109 GLN H 1 109 GLN HB3 2.500 . 3.000 2.564 2.218 3.368 0.368 9 0 "[ . 1 . 2]" 1
375 1 109 GLN H 1 109 GLN HB2 3.000 . 3.500 3.356 2.075 3.624 0.124 14 0 "[ . 1 . 2]" 1
376 1 109 GLN H 1 109 GLN QG 3.000 . 3.500 2.961 1.753 3.699 0.199 1 0 "[ . 1 . 2]" 1
377 1 109 GLN HA 1 109 GLN QG 2.500 . 3.000 2.993 2.335 3.271 0.271 20 0 "[ . 1 . 2]" 1
378 1 110 GLU H 1 110 GLU HB3 3.000 . 3.500 2.920 2.408 3.632 0.132 20 0 "[ . 1 . 2]" 1
379 1 110 GLU H 1 110 GLU HB2 3.000 . 3.500 3.077 2.391 3.660 0.160 6 0 "[ . 1 . 2]" 1
380 1 110 GLU H 1 110 GLU QG 3.500 . 4.000 2.814 1.837 4.080 0.080 1 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 976
_Distance_constraint_stats_list.Viol_total 2184.108
_Distance_constraint_stats_list.Viol_max 0.458
_Distance_constraint_stats_list.Viol_rms 0.0542
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0162
_Distance_constraint_stats_list.Viol_average_violations_only 0.1119
_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 CYS 0.019 0.019 14 0 "[ . 1 . 2]"
1 7 LEU 0.077 0.058 12 0 "[ . 1 . 2]"
1 8 GLN 0.282 0.140 17 0 "[ . 1 . 2]"
1 9 THR 0.237 0.140 17 0 "[ . 1 . 2]"
1 10 HIS 1.186 0.147 13 0 "[ . 1 . 2]"
1 11 ARG 2.601 0.147 13 0 "[ . 1 . 2]"
1 12 VAL 1.428 0.102 5 0 "[ . 1 . 2]"
1 13 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 HIS 0.017 0.014 15 0 "[ . 1 . 2]"
1 16 GLY 0.017 0.014 15 0 "[ . 1 . 2]"
1 17 VAL 0.610 0.059 9 0 "[ . 1 . 2]"
1 18 PRO 10.371 0.367 18 0 "[ . 1 . 2]"
1 19 GLY 10.039 0.367 18 0 "[ . 1 . 2]"
1 20 PRO 3.656 0.208 16 0 "[ . 1 . 2]"
1 21 GLU 7.696 0.307 16 0 "[ . 1 . 2]"
1 22 PRO 14.461 0.458 1 0 "[ . 1 . 2]"
1 23 PHE 10.142 0.458 1 0 "[ . 1 . 2]"
1 24 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 VAL 1.264 0.066 1 0 "[ . 1 . 2]"
1 26 PHE 1.273 0.066 1 0 "[ . 1 . 2]"
1 27 THR 0.010 0.010 5 0 "[ . 1 . 2]"
1 28 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 THR 0.083 0.030 5 0 "[ . 1 . 2]"
1 33 LYS 2.312 0.182 4 0 "[ . 1 . 2]"
1 34 ALA 2.229 0.182 4 0 "[ . 1 . 2]"
1 35 LYS 0.502 0.164 10 0 "[ . 1 . 2]"
1 36 GLN 0.551 0.164 10 0 "[ . 1 . 2]"
1 37 LEU 1.040 0.110 1 0 "[ . 1 . 2]"
1 38 LEU 0.991 0.110 1 0 "[ . 1 . 2]"
1 39 GLN 4.800 0.183 17 0 "[ . 1 . 2]"
1 40 GLN 4.800 0.183 17 0 "[ . 1 . 2]"
1 41 ILE 3.658 0.362 15 0 "[ . 1 . 2]"
1 42 LEU 4.857 0.362 15 0 "[ . 1 . 2]"
1 43 THR 3.128 0.284 12 0 "[ . 1 . 2]"
1 44 ASN 4.989 0.284 12 0 "[ . 1 . 2]"
1 45 GLU 3.059 0.209 13 0 "[ . 1 . 2]"
1 46 GLN 5.619 0.333 4 0 "[ . 1 . 2]"
1 47 ASP 6.747 0.333 4 0 "[ . 1 . 2]"
1 48 ILE 6.566 0.413 5 0 "[ . 1 . 2]"
1 49 LYS 6.841 0.413 5 0 "[ . 1 . 2]"
1 50 PRO 6.865 0.331 18 0 "[ . 1 . 2]"
1 51 VAL 5.903 0.331 18 0 "[ . 1 . 2]"
1 52 THR 0.440 0.167 17 0 "[ . 1 . 2]"
1 53 THR 1.545 0.266 13 0 "[ . 1 . 2]"
1 54 ASP 6.905 0.266 13 0 "[ . 1 . 2]"
1 55 TYR 5.624 0.230 1 0 "[ . 1 . 2]"
1 56 PHE 0.263 0.040 19 0 "[ . 1 . 2]"
1 57 LEU 0.007 0.007 15 0 "[ . 1 . 2]"
1 58 MET 0.007 0.007 15 0 "[ . 1 . 2]"
1 59 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 ILE 1.780 0.279 2 0 "[ . 1 . 2]"
1 65 SER 1.780 0.279 2 0 "[ . 1 . 2]"
1 66 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 GLU 0.621 0.170 13 0 "[ . 1 . 2]"
1 68 LYS 0.900 0.170 13 0 "[ . 1 . 2]"
1 69 ASN 4.062 0.256 7 0 "[ . 1 . 2]"
1 70 GLU 3.829 0.256 7 0 "[ . 1 . 2]"
1 71 CYS 0.045 0.029 4 0 "[ . 1 . 2]"
1 72 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 GLN 0.030 0.013 15 0 "[ . 1 . 2]"
1 75 PRO 0.030 0.013 15 0 "[ . 1 . 2]"
1 77 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 PRO 0.692 0.138 12 0 "[ . 1 . 2]"
1 83 GLU 1.530 0.140 18 0 "[ . 1 . 2]"
1 84 GLU 0.839 0.140 18 0 "[ . 1 . 2]"
1 85 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 ILE 0.123 0.037 5 0 "[ . 1 . 2]"
1 87 MET 0.123 0.037 5 0 "[ . 1 . 2]"
1 88 GLN 3.009 0.237 14 0 "[ . 1 . 2]"
1 89 ILE 4.599 0.237 14 0 "[ . 1 . 2]"
1 90 LEU 1.591 0.107 8 0 "[ . 1 . 2]"
1 91 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 SER 0.460 0.240 7 0 "[ . 1 . 2]"
1 93 TRP 0.577 0.240 7 0 "[ . 1 . 2]"
1 94 PHE 0.830 0.265 14 0 "[ . 1 . 2]"
1 95 PRO 0.713 0.265 14 0 "[ . 1 . 2]"
1 97 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 98 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 99 TYR 0.233 0.076 14 0 "[ . 1 . 2]"
1 100 MET 0.233 0.076 14 0 "[ . 1 . 2]"
1 102 ARG 0.745 0.116 12 0 "[ . 1 . 2]"
1 103 ILE 1.802 0.323 2 0 "[ . 1 . 2]"
1 104 VAL 4.642 0.323 2 0 "[ . 1 . 2]"
1 105 LEU 6.382 0.251 12 0 "[ . 1 . 2]"
1 106 LYS 3.337 0.194 15 0 "[ . 1 . 2]"
1 107 THR 6.289 0.332 8 0 "[ . 1 . 2]"
1 108 GLN 7.513 0.332 8 0 "[ . 1 . 2]"
1 109 GLN 2.559 0.248 14 0 "[ . 1 . 2]"
1 110 GLU 0.795 0.160 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 6 CYS QB 1 7 LEU H 4.000 . 5.000 3.145 2.049 4.001 . 0 0 "[ . 1 . 2]" 2
2 1 6 CYS QB 1 7 LEU MD1 4.500 . 5.500 4.769 3.963 5.519 0.019 14 0 "[ . 1 . 2]" 2
3 1 7 LEU QB 1 8 GLN H 3.500 . 4.000 3.438 1.742 3.994 0.058 12 0 "[ . 1 . 2]" 2
4 1 7 LEU QD 1 8 GLN H 5.000 . 6.000 3.757 2.869 4.351 . 0 0 "[ . 1 . 2]" 2
5 1 8 GLN HA 1 9 THR H 2.500 . 3.000 2.398 2.127 3.140 0.140 17 0 "[ . 1 . 2]" 2
6 1 8 GLN QB 1 9 THR H 3.500 . 4.000 3.404 1.912 4.023 0.023 7 0 "[ . 1 . 2]" 2
7 1 8 GLN QG 1 9 THR H 4.000 . 5.000 4.191 3.795 4.499 . 0 0 "[ . 1 . 2]" 2
8 1 8 GLN H 1 9 THR H 4.000 . 5.000 3.922 2.401 4.579 . 0 0 "[ . 1 . 2]" 2
9 1 9 THR HB 1 10 HIS H 3.500 . 4.000 3.753 3.315 4.013 0.013 9 0 "[ . 1 . 2]" 2
10 1 9 THR MG 1 10 HIS H 4.000 . 5.000 4.113 3.924 4.205 . 0 0 "[ . 1 . 2]" 2
11 1 9 THR H 1 10 HIS H 4.000 . 5.000 4.116 3.454 4.449 . 0 0 "[ . 1 . 2]" 2
12 1 9 THR HA 1 10 HIS HD2 4.500 . 5.500 3.970 3.517 4.569 . 0 0 "[ . 1 . 2]" 2
13 1 10 HIS HA 1 11 ARG H 2.500 . 3.000 2.208 2.131 2.292 . 0 0 "[ . 1 . 2]" 2
14 1 10 HIS HB3 1 11 ARG H 3.500 . 4.000 3.048 2.902 3.259 . 0 0 "[ . 1 . 2]" 2
15 1 10 HIS HB2 1 11 ARG H 3.500 . 4.000 4.059 4.003 4.147 0.147 13 0 "[ . 1 . 2]" 2
16 1 10 HIS H 1 11 ARG H 4.000 . 5.000 4.423 4.309 4.520 . 0 0 "[ . 1 . 2]" 2
17 1 11 ARG HA 1 12 VAL H 3.000 . 3.500 2.226 2.146 2.280 . 0 0 "[ . 1 . 2]" 2
18 1 11 ARG QB 1 12 VAL H 3.000 . 3.500 3.313 3.188 3.501 0.001 13 0 "[ . 1 . 2]" 2
19 1 11 ARG HA 1 12 VAL MG1 3.500 . 4.000 3.297 3.230 3.332 . 0 0 "[ . 1 . 2]" 2
20 1 12 VAL HA 1 13 THR H 2.500 . 3.000 2.146 2.125 2.168 . 0 0 "[ . 1 . 2]" 2
21 1 12 VAL HB 1 13 THR H 4.000 . 5.000 4.185 4.153 4.245 . 0 0 "[ . 1 . 2]" 2
22 1 11 ARG H 1 12 VAL QG 4.000 . 5.000 5.071 5.022 5.102 0.102 5 0 "[ . 1 . 2]" 2
23 1 12 VAL QG 1 13 THR H 4.000 . 5.000 2.792 2.692 2.934 . 0 0 "[ . 1 . 2]" 2
24 1 13 THR HA 1 14 VAL H 3.000 . 3.500 2.200 2.182 2.242 . 0 0 "[ . 1 . 2]" 2
25 1 13 THR MG 1 14 VAL H 3.500 . 4.000 2.822 2.532 2.985 . 0 0 "[ . 1 . 2]" 2
26 1 14 VAL HA 1 15 HIS H 3.000 . 3.500 2.165 2.097 2.225 . 0 0 "[ . 1 . 2]" 2
27 1 14 VAL QG 1 15 HIS H 4.000 . 5.000 2.656 2.392 2.971 . 0 0 "[ . 1 . 2]" 2
28 1 13 THR H 1 14 VAL H 4.000 . 5.000 4.487 4.431 4.586 . 0 0 "[ . 1 . 2]" 2
29 1 15 HIS HA 1 16 GLY H 3.000 . 3.500 3.354 3.220 3.514 0.014 15 0 "[ . 1 . 2]" 2
30 1 15 HIS HB3 1 16 GLY H 4.000 . 5.000 3.812 3.451 4.095 . 0 0 "[ . 1 . 2]" 2
31 1 15 HIS HB2 1 16 GLY H 4.000 . 5.000 3.491 2.712 3.900 . 0 0 "[ . 1 . 2]" 2
32 1 16 GLY HA2 1 17 VAL H 3.500 . 4.000 3.343 2.848 3.524 . 0 0 "[ . 1 . 2]" 2
33 1 16 GLY HA3 1 17 VAL H 3.500 . 4.000 3.052 2.822 3.520 . 0 0 "[ . 1 . 2]" 2
34 1 15 HIS H 1 16 GLY H 4.000 . 5.000 2.288 2.133 2.462 . 0 0 "[ . 1 . 2]" 2
35 1 16 GLY H 1 17 VAL H 3.500 . 4.000 2.622 2.276 3.083 . 0 0 "[ . 1 . 2]" 2
36 1 16 GLY H 1 17 VAL MG1 4.500 . 5.500 3.196 2.674 3.641 . 0 0 "[ . 1 . 2]" 2
37 1 17 VAL H 1 18 PRO HD3 4.000 . 5.000 4.897 4.317 5.059 0.059 9 0 "[ . 1 . 2]" 2
38 1 17 VAL HB 1 18 PRO HD2 4.000 . 5.000 2.436 1.798 4.092 0.002 9 0 "[ . 1 . 2]" 2
39 1 17 VAL HB 1 18 PRO HD3 4.000 . 5.000 3.608 3.204 4.584 . 0 0 "[ . 1 . 2]" 2
40 1 17 VAL MG2 1 18 PRO HD3 4.000 . 5.000 4.055 3.406 4.368 . 0 0 "[ . 1 . 2]" 2
41 1 17 VAL MG2 1 18 PRO HD2 4.500 2.300 5.500 3.017 2.275 3.423 0.025 14 0 "[ . 1 . 2]" 2
42 1 17 VAL HA 1 18 PRO HD2 4.000 . 5.000 2.383 2.117 2.552 . 0 0 "[ . 1 . 2]" 2
43 1 17 VAL HA 1 18 PRO HD3 3.000 . 3.500 2.259 1.915 2.399 . 0 0 "[ . 1 . 2]" 2
44 1 17 VAL H 1 18 PRO HD2 4.000 . 5.000 4.817 4.716 5.050 0.050 16 0 "[ . 1 . 2]" 2
45 1 18 PRO HD3 1 19 GLY H 4.000 . 5.000 3.763 3.437 4.422 . 0 0 "[ . 1 . 2]" 2
46 1 18 PRO HA 1 19 GLY H 2.500 . 3.000 3.319 3.297 3.367 0.367 18 0 "[ . 1 . 2]" 2
47 1 18 PRO HB2 1 19 GLY H 3.500 . 4.000 2.957 1.692 3.583 0.108 16 0 "[ . 1 . 2]" 2
48 1 18 PRO HD2 1 19 GLY H 3.000 . 3.500 2.690 2.186 3.590 0.090 14 0 "[ . 1 . 2]" 2
49 1 18 PRO HG3 1 19 GLY H 3.000 . 3.500 3.604 3.349 3.715 0.215 5 0 "[ . 1 . 2]" 2
50 1 18 PRO HG2 1 19 GLY H 3.500 . 4.000 2.194 1.957 2.338 . 0 0 "[ . 1 . 2]" 2
51 1 19 GLY HA2 1 20 PRO HD3 3.500 . 4.000 3.297 2.940 3.530 . 0 0 "[ . 1 . 2]" 2
52 1 19 GLY HA3 1 20 PRO HD3 3.000 . 3.500 2.561 2.409 2.955 . 0 0 "[ . 1 . 2]" 2
53 1 19 GLY HA3 1 20 PRO HD2 3.000 . 3.500 2.639 2.426 2.990 . 0 0 "[ . 1 . 2]" 2
54 1 19 GLY HA3 1 20 PRO HG3 4.000 . 5.000 4.723 4.563 5.090 0.090 16 0 "[ . 1 . 2]" 2
55 1 19 GLY HA3 1 20 PRO HG2 4.000 . 5.000 4.716 4.538 5.021 0.021 20 0 "[ . 1 . 2]" 2
56 1 20 PRO HA 1 21 GLU H 3.500 . 4.000 3.450 3.409 3.487 . 0 0 "[ . 1 . 2]" 2
57 1 20 PRO HD3 1 21 GLU H 3.500 . 4.000 3.639 3.397 3.743 . 0 0 "[ . 1 . 2]" 2
58 1 20 PRO HD2 1 21 GLU H 3.000 . 3.500 2.454 2.021 2.599 . 0 0 "[ . 1 . 2]" 2
59 1 20 PRO HG3 1 21 GLU H 3.000 . 3.500 3.669 3.629 3.708 0.208 16 0 "[ . 1 . 2]" 2
60 1 21 GLU HA 1 22 PRO QD 2.500 . 3.000 1.765 1.733 1.798 0.067 20 0 "[ . 1 . 2]" 2
61 1 21 GLU HA 1 22 PRO HG3 3.000 . 3.500 3.681 3.607 3.807 0.307 16 0 "[ . 1 . 2]" 2
62 1 22 PRO HA 1 23 PHE H 3.500 . 4.000 3.416 3.365 3.460 . 0 0 "[ . 1 . 2]" 2
63 1 22 PRO HB2 1 23 PHE H 4.000 . 5.000 2.849 2.682 3.145 . 0 0 "[ . 1 . 2]" 2
64 1 22 PRO QD 1 23 PHE H 3.500 . 4.000 1.682 1.644 1.720 0.156 19 0 "[ . 1 . 2]" 2
65 1 22 PRO HG3 1 23 PHE H 3.000 . 3.500 3.889 3.755 3.958 0.458 1 0 "[ . 1 . 2]" 2
66 1 22 PRO HG2 1 23 PHE H 3.000 . 3.500 3.164 2.693 3.468 . 0 0 "[ . 1 . 2]" 2
67 1 23 PHE HA 1 24 THR H 3.000 . 3.500 2.162 2.122 2.255 . 0 0 "[ . 1 . 2]" 2
68 1 23 PHE QB 1 24 THR H 3.000 . 3.500 3.109 2.910 3.169 . 0 0 "[ . 1 . 2]" 2
69 1 23 PHE QD 1 24 THR H 4.500 . 5.500 4.227 3.865 4.358 . 0 0 "[ . 1 . 2]" 2
70 1 23 PHE H 1 24 THR MG 4.500 . 5.500 4.845 4.401 5.468 . 0 0 "[ . 1 . 2]" 2
71 1 23 PHE H 1 24 THR H 4.000 . 5.000 4.163 4.038 4.286 . 0 0 "[ . 1 . 2]" 2
72 1 23 PHE QD 1 24 THR HA 4.000 . 5.000 3.814 3.397 4.123 . 0 0 "[ . 1 . 2]" 2
73 1 24 THR HA 1 25 VAL H 3.000 . 3.500 2.298 2.153 2.416 . 0 0 "[ . 1 . 2]" 2
74 1 24 THR HB 1 25 VAL H 4.000 . 5.000 3.927 3.787 4.109 . 0 0 "[ . 1 . 2]" 2
75 1 24 THR MG 1 25 VAL H 3.500 . 4.000 3.478 3.124 3.769 . 0 0 "[ . 1 . 2]" 2
76 1 24 THR HA 1 25 VAL MG2 3.000 . 3.500 2.799 2.668 2.965 . 0 0 "[ . 1 . 2]" 2
77 1 25 VAL HA 1 26 PHE H 3.000 . 3.500 2.230 2.204 2.253 . 0 0 "[ . 1 . 2]" 2
78 1 25 VAL HB 1 26 PHE H 3.500 . 4.000 4.031 3.984 4.053 0.053 20 0 "[ . 1 . 2]" 2
79 1 25 VAL MG1 1 26 PHE H 3.500 . 4.000 2.802 2.741 2.858 . 0 0 "[ . 1 . 2]" 2
80 1 25 VAL MG2 1 26 PHE H 4.000 . 5.000 4.313 4.268 4.340 . 0 0 "[ . 1 . 2]" 2
81 1 25 VAL MG1 1 26 PHE HA 3.500 . 4.000 4.031 3.993 4.066 0.066 1 0 "[ . 1 . 2]" 2
82 1 26 PHE HA 1 27 THR H 2.500 . 3.000 2.225 2.136 2.289 . 0 0 "[ . 1 . 2]" 2
83 1 26 PHE HB3 1 27 THR H 3.500 . 4.000 2.773 2.631 2.971 . 0 0 "[ . 1 . 2]" 2
84 1 26 PHE HB2 1 27 THR H 3.500 . 4.000 3.795 3.682 4.010 0.010 5 0 "[ . 1 . 2]" 2
85 1 26 PHE QD 1 27 THR H 4.000 . 5.000 3.990 3.834 4.137 . 0 0 "[ . 1 . 2]" 2
86 1 26 PHE H 1 27 THR H 4.000 . 5.000 4.494 4.461 4.509 . 0 0 "[ . 1 . 2]" 2
87 1 27 THR HA 1 28 ILE H 3.000 . 3.500 2.164 2.131 2.192 . 0 0 "[ . 1 . 2]" 2
88 1 27 THR HB 1 28 ILE H 4.000 . 5.000 3.604 3.477 3.744 . 0 0 "[ . 1 . 2]" 2
89 1 27 THR H 1 28 ILE MG 4.000 . 5.000 4.696 4.562 4.789 . 0 0 "[ . 1 . 2]" 2
90 1 27 THR HA 1 28 ILE MG 4.000 . 5.000 3.262 3.104 3.334 . 0 0 "[ . 1 . 2]" 2
91 1 27 THR HB 1 28 ILE HA 4.000 . 5.000 4.473 4.339 4.624 . 0 0 "[ . 1 . 2]" 2
92 1 28 ILE HA 1 29 ASN H 3.000 . 3.500 2.683 2.569 2.731 . 0 0 "[ . 1 . 2]" 2
93 1 28 ILE HB 1 29 ASN H 3.000 . 3.500 2.224 2.120 2.434 . 0 0 "[ . 1 . 2]" 2
94 1 28 ILE MD 1 29 ASN H 4.000 . 5.000 3.273 2.135 3.585 . 0 0 "[ . 1 . 2]" 2
95 1 28 ILE MG 1 29 ASN H 4.000 . 5.000 3.796 3.730 3.902 . 0 0 "[ . 1 . 2]" 2
96 1 29 ASN HA 1 30 GLY H 4.000 . 5.000 2.245 2.184 2.574 . 0 0 "[ . 1 . 2]" 2
97 1 29 ASN QB 1 30 GLY H 3.500 . 4.000 2.936 2.457 3.673 . 0 0 "[ . 1 . 2]" 2
98 1 30 GLY HA2 1 31 GLY H 4.000 . 5.000 2.497 2.118 3.523 . 0 0 "[ . 1 . 2]" 2
99 1 31 GLY HA3 1 32 THR H 3.500 . 4.000 2.784 2.254 3.552 . 0 0 "[ . 1 . 2]" 2
100 1 31 GLY HA2 1 32 THR H 4.000 . 5.000 3.301 2.576 3.554 . 0 0 "[ . 1 . 2]" 2
101 1 31 GLY H 1 32 THR H 4.000 . 5.000 3.107 1.927 3.767 . 0 0 "[ . 1 . 2]" 2
102 1 32 THR HA 1 33 LYS H 3.000 . 3.500 2.198 2.146 2.350 . 0 0 "[ . 1 . 2]" 2
103 1 32 THR MG 1 33 LYS H 4.000 . 5.000 3.732 3.024 4.008 . 0 0 "[ . 1 . 2]" 2
104 1 32 THR H 1 33 LYS H 4.000 . 5.000 4.361 3.664 4.587 . 0 0 "[ . 1 . 2]" 2
105 1 32 THR MG 1 33 LYS HA 4.500 . 5.500 5.438 5.162 5.530 0.030 5 0 "[ . 1 . 2]" 2
106 1 33 LYS HA 1 34 ALA H 3.500 . 4.000 2.593 2.477 2.706 . 0 0 "[ . 1 . 2]" 2
107 1 33 LYS HB2 1 34 ALA H 3.500 . 4.000 2.394 1.796 3.495 0.004 14 0 "[ . 1 . 2]" 2
108 1 33 LYS HG3 1 34 ALA H 3.500 . 4.000 3.528 2.971 4.076 0.076 18 0 "[ . 1 . 2]" 2
109 1 33 LYS HG2 1 34 ALA H 3.500 . 4.000 4.000 3.379 4.182 0.182 4 0 "[ . 1 . 2]" 2
110 1 34 ALA HA 1 35 LYS H 4.000 . 5.000 3.437 3.387 3.490 . 0 0 "[ . 1 . 2]" 2
111 1 34 ALA MB 1 35 LYS H 3.500 . 4.000 2.977 2.903 3.045 . 0 0 "[ . 1 . 2]" 2
112 1 34 ALA H 1 35 LYS H 4.000 . 5.000 2.700 2.455 2.989 . 0 0 "[ . 1 . 2]" 2
113 1 34 ALA MB 1 35 LYS HA 4.500 . 5.500 3.860 3.757 3.973 . 0 0 "[ . 1 . 2]" 2
114 1 35 LYS HA 1 36 GLN H 3.500 . 4.000 3.556 3.502 3.585 . 0 0 "[ . 1 . 2]" 2
115 1 35 LYS HB3 1 36 GLN H 3.500 . 4.000 3.617 2.227 3.947 . 0 0 "[ . 1 . 2]" 2
116 1 35 LYS HB2 1 36 GLN H 3.500 . 4.000 3.529 3.225 3.846 . 0 0 "[ . 1 . 2]" 2
117 1 35 LYS QD 1 36 GLN H 3.500 . 4.000 3.768 2.171 4.164 0.164 10 0 "[ . 1 . 2]" 2
118 1 35 LYS QG 1 36 GLN H 3.500 . 4.000 1.969 1.746 2.942 0.054 15 0 "[ . 1 . 2]" 2
119 1 35 LYS H 1 36 GLN H 4.000 . 5.000 2.472 2.402 2.541 . 0 0 "[ . 1 . 2]" 2
120 1 36 GLN HA 1 37 LEU H 4.000 . 5.000 3.436 3.423 3.457 . 0 0 "[ . 1 . 2]" 2
121 1 36 GLN HB3 1 37 LEU H 3.500 . 4.000 3.680 2.799 4.018 0.018 14 0 "[ . 1 . 2]" 2
122 1 35 LYS H 1 36 GLN HB2 4.000 . 5.000 4.464 4.220 4.847 . 0 0 "[ . 1 . 2]" 2
123 1 36 GLN HB2 1 37 LEU H 4.000 . 5.000 3.191 2.908 4.014 . 0 0 "[ . 1 . 2]" 2
124 1 36 GLN H 1 37 LEU H 3.500 . 4.000 2.546 2.492 2.649 . 0 0 "[ . 1 . 2]" 2
125 1 37 LEU HA 1 38 LEU H 4.000 . 5.000 3.526 3.501 3.562 . 0 0 "[ . 1 . 2]" 2
126 1 37 LEU HB3 1 38 LEU H 4.000 . 5.000 2.863 2.590 2.969 . 0 0 "[ . 1 . 2]" 2
127 1 37 LEU HB2 1 38 LEU H 3.000 . 3.500 3.419 3.297 3.518 0.018 7 0 "[ . 1 . 2]" 2
128 1 37 LEU MD1 1 38 LEU H 4.500 . 5.500 3.971 3.864 4.050 . 0 0 "[ . 1 . 2]" 2
129 1 37 LEU MD2 1 38 LEU H 4.000 . 5.000 4.453 4.425 4.488 . 0 0 "[ . 1 . 2]" 2
130 1 37 LEU H 1 38 LEU H 3.500 . 4.000 2.506 2.470 2.569 . 0 0 "[ . 1 . 2]" 2
131 1 37 LEU H 1 38 LEU HB3 4.000 . 5.000 4.803 4.658 4.867 . 0 0 "[ . 1 . 2]" 2
132 1 37 LEU MD2 1 38 LEU HA 4.500 . 5.500 5.543 5.448 5.610 0.110 1 0 "[ . 1 . 2]" 2
133 1 38 LEU HA 1 39 GLN H 3.500 . 4.000 3.513 3.500 3.534 . 0 0 "[ . 1 . 2]" 2
134 1 38 LEU HB3 1 39 GLN H 3.500 . 4.000 2.621 2.526 2.756 . 0 0 "[ . 1 . 2]" 2
135 1 38 LEU HB2 1 39 GLN H 3.500 . 4.000 3.742 3.608 3.859 . 0 0 "[ . 1 . 2]" 2
136 1 38 LEU QD 1 39 GLN H 4.500 . 5.500 3.376 3.231 3.461 . 0 0 "[ . 1 . 2]" 2
137 1 38 LEU H 1 39 GLN H 3.500 . 4.000 2.706 2.663 2.760 . 0 0 "[ . 1 . 2]" 2
138 1 38 LEU MD2 1 39 GLN HA 4.000 . 5.000 4.333 4.109 4.600 . 0 0 "[ . 1 . 2]" 2
139 1 39 GLN HA 1 40 GLN H 3.500 . 4.000 3.549 3.528 3.569 . 0 0 "[ . 1 . 2]" 2
140 1 38 LEU H 1 39 GLN QB 4.000 . 5.000 4.068 4.000 4.137 . 0 0 "[ . 1 . 2]" 2
141 1 39 GLN HG2 1 40 GLN HE21 4.500 . 5.500 5.593 5.563 5.626 0.126 5 0 "[ . 1 . 2]" 2
142 1 39 GLN HG2 1 40 GLN HE22 4.500 . 5.500 5.647 5.620 5.683 0.183 17 0 "[ . 1 . 2]" 2
143 1 39 GLN HG2 1 40 GLN H 3.500 . 4.000 3.334 3.068 3.529 . 0 0 "[ . 1 . 2]" 2
144 1 39 GLN H 1 40 GLN H 3.500 . 4.000 2.866 2.819 2.914 . 0 0 "[ . 1 . 2]" 2
145 1 40 GLN HA 1 41 ILE H 4.000 . 5.000 3.436 3.408 3.469 . 0 0 "[ . 1 . 2]" 2
146 1 40 GLN QB 1 41 ILE H 3.000 . 3.500 2.839 2.747 2.930 . 0 0 "[ . 1 . 2]" 2
147 1 40 GLN H 1 41 ILE H 3.000 . 3.500 2.671 2.623 2.719 . 0 0 "[ . 1 . 2]" 2
148 1 40 GLN QB 1 41 ILE MD 4.500 . 5.500 2.633 2.395 2.927 . 0 0 "[ . 1 . 2]" 2
149 1 41 ILE HA 1 42 LEU H 4.000 . 5.000 3.460 3.395 3.521 . 0 0 "[ . 1 . 2]" 2
150 1 41 ILE HB 1 42 LEU H 3.500 . 4.000 2.719 2.439 2.920 . 0 0 "[ . 1 . 2]" 2
151 1 41 ILE MD 1 42 LEU H 4.000 . 5.000 4.149 4.044 4.298 . 0 0 "[ . 1 . 2]" 2
152 1 41 ILE HG12 1 42 LEU H 4.000 . 5.000 4.544 4.030 5.032 0.032 9 0 "[ . 1 . 2]" 2
153 1 41 ILE H 1 42 LEU H 3.500 . 4.000 2.358 2.236 2.507 . 0 0 "[ . 1 . 2]" 2
154 1 41 ILE H 1 42 LEU HG 4.000 . 5.000 4.253 3.808 4.635 . 0 0 "[ . 1 . 2]" 2
155 1 41 ILE HB 1 42 LEU MD1 3.500 . 4.000 4.179 4.093 4.362 0.362 15 0 "[ . 1 . 2]" 2
156 1 42 LEU HA 1 43 THR H 3.000 . 3.500 3.408 3.264 3.492 . 0 0 "[ . 1 . 2]" 2
157 1 42 LEU HB3 1 43 THR H 3.500 . 4.000 3.678 3.385 4.062 0.062 15 0 "[ . 1 . 2]" 2
158 1 42 LEU HB2 1 43 THR H 3.500 . 4.000 2.787 2.415 3.221 . 0 0 "[ . 1 . 2]" 2
159 1 42 LEU MD1 1 43 THR H 4.500 . 5.500 4.431 4.023 5.066 . 0 0 "[ . 1 . 2]" 2
160 1 42 LEU MD2 1 43 THR H 4.500 . 5.500 4.734 4.280 4.949 . 0 0 "[ . 1 . 2]" 2
161 1 42 LEU HG 1 43 THR H 4.000 . 5.000 4.438 4.299 4.624 . 0 0 "[ . 1 . 2]" 2
162 1 42 LEU MD2 1 43 THR HA 4.500 . 5.500 5.542 5.387 5.662 0.162 15 0 "[ . 1 . 2]" 2
163 1 43 THR HA 1 44 ASN H 2.500 . 3.000 2.194 1.952 2.832 . 0 0 "[ . 1 . 2]" 2
164 1 43 THR MG 1 44 ASN H 4.000 . 5.000 3.850 3.387 4.207 . 0 0 "[ . 1 . 2]" 2
165 1 43 THR H 1 44 ASN H 3.500 . 4.000 3.984 2.987 4.284 0.284 12 0 "[ . 1 . 2]" 2
166 1 43 THR MG 1 44 ASN HA 4.000 . 5.000 4.219 3.720 4.560 . 0 0 "[ . 1 . 2]" 2
167 1 44 ASN QB 1 45 GLU H 2.500 . 3.000 2.850 1.845 3.209 0.209 13 0 "[ . 1 . 2]" 2
168 1 44 ASN H 1 45 GLU H 3.000 . 3.500 2.368 1.890 2.837 . 0 0 "[ . 1 . 2]" 2
169 1 44 ASN H 1 45 GLU HB2 4.000 . 5.000 5.007 3.971 5.205 0.205 13 0 "[ . 1 . 2]" 2
170 1 46 GLN HA 1 47 ASP H 2.500 . 3.000 2.995 2.074 3.333 0.333 4 0 "[ . 1 . 2]" 2
171 1 46 GLN QG 1 47 ASP H 3.000 . 3.500 3.473 1.787 3.764 0.264 13 0 "[ . 1 . 2]" 2
172 1 47 ASP HA 1 48 ILE H 2.500 . 3.000 3.027 2.701 3.263 0.263 9 0 "[ . 1 . 2]" 2
173 1 47 ASP HB3 1 48 ILE H 4.000 . 5.000 3.880 3.237 4.521 . 0 0 "[ . 1 . 2]" 2
174 1 47 ASP HB2 1 48 ILE H 4.000 . 5.000 4.275 3.728 4.472 . 0 0 "[ . 1 . 2]" 2
175 1 47 ASP H 1 48 ILE H 3.000 . 3.500 2.560 2.293 2.988 . 0 0 "[ . 1 . 2]" 2
176 1 48 ILE HA 1 49 LYS H 2.500 . 3.000 3.030 2.062 3.413 0.413 5 0 "[ . 1 . 2]" 2
177 1 48 ILE HB 1 49 LYS H 3.500 . 4.000 3.196 1.750 4.229 0.229 7 0 "[ . 1 . 2]" 2
178 1 48 ILE HG13 1 49 LYS H 4.000 . 5.000 4.397 3.808 5.103 0.103 18 0 "[ . 1 . 2]" 2
179 1 48 ILE MG 1 49 LYS H 4.000 . 5.000 3.232 2.364 4.218 . 0 0 "[ . 1 . 2]" 2
180 1 48 ILE H 1 49 LYS H 4.000 . 5.000 3.461 2.654 4.561 . 0 0 "[ . 1 . 2]" 2
181 1 48 ILE HA 1 49 LYS HA 4.000 . 5.000 4.547 4.291 5.103 0.103 18 0 "[ . 1 . 2]" 2
182 1 48 ILE MG 1 49 LYS HA 4.500 . 5.500 3.338 2.602 4.011 . 0 0 "[ . 1 . 2]" 2
183 1 49 LYS H 1 50 PRO HD3 4.000 . 5.000 3.508 2.771 4.143 . 0 0 "[ . 1 . 2]" 2
184 1 49 LYS H 1 50 PRO HD2 4.000 . 5.000 4.558 3.997 5.032 0.032 2 0 "[ . 1 . 2]" 2
185 1 49 LYS HA 1 50 PRO QG 3.500 . 4.000 4.025 3.882 4.209 0.209 11 0 "[ . 1 . 2]" 2
186 1 49 LYS HA 1 50 PRO HD3 2.500 . 3.000 2.470 2.156 2.872 . 0 0 "[ . 1 . 2]" 2
187 1 49 LYS HA 1 50 PRO HD2 2.500 . 3.000 2.368 2.245 2.452 . 0 0 "[ . 1 . 2]" 2
188 1 49 LYS QG 1 50 PRO HD3 4.000 . 5.000 4.502 4.112 4.791 . 0 0 "[ . 1 . 2]" 2
189 1 49 LYS QG 1 50 PRO HD2 4.000 . 5.000 4.554 3.620 5.094 0.094 13 0 "[ . 1 . 2]" 2
190 1 50 PRO HA 1 51 VAL H 2.500 . 3.000 2.484 2.190 2.795 . 0 0 "[ . 1 . 2]" 2
191 1 50 PRO HB3 1 51 VAL H 3.000 . 3.500 2.147 1.974 2.446 . 0 0 "[ . 1 . 2]" 2
192 1 50 PRO HB2 1 51 VAL H 3.000 . 3.500 2.777 1.991 3.420 . 0 0 "[ . 1 . 2]" 2
193 1 50 PRO QG 1 51 VAL H 3.000 . 3.500 3.773 3.725 3.831 0.331 18 0 "[ . 1 . 2]" 2
194 1 50 PRO HA 1 51 VAL QG 4.000 . 5.000 3.447 3.132 3.695 . 0 0 "[ . 1 . 2]" 2
195 1 51 VAL HA 1 52 THR H 2.500 . 3.000 2.398 2.175 3.167 0.167 17 0 "[ . 1 . 2]" 2
196 1 51 VAL HB 1 52 THR H 4.000 . 5.000 4.260 3.489 4.432 . 0 0 "[ . 1 . 2]" 2
197 1 51 VAL QG 1 52 THR H 4.500 . 5.500 3.424 3.164 3.619 . 0 0 "[ . 1 . 2]" 2
198 1 52 THR H 1 53 THR H 4.000 . 5.000 4.181 3.662 4.313 . 0 0 "[ . 1 . 2]" 2
199 1 53 THR HA 1 54 ASP H 2.500 . 3.000 2.939 2.200 3.089 0.089 12 0 "[ . 1 . 2]" 2
200 1 53 THR HB 1 54 ASP H 3.500 . 4.000 3.193 1.862 4.266 0.266 13 0 "[ . 1 . 2]" 2
201 1 53 THR MG 1 54 ASP H 3.500 . 4.000 2.092 1.697 3.483 0.103 18 0 "[ . 1 . 2]" 2
202 1 53 THR H 1 54 ASP H 3.500 . 4.000 4.013 3.799 4.146 0.146 18 0 "[ . 1 . 2]" 2
203 1 54 ASP HA 1 55 TYR H 3.000 . 3.500 3.177 2.987 3.359 . 0 0 "[ . 1 . 2]" 2
204 1 54 ASP HB3 1 55 TYR H 3.500 . 4.000 4.152 4.065 4.225 0.225 1 0 "[ . 1 . 2]" 2
205 1 54 ASP HB2 1 55 TYR H 3.000 . 3.500 3.588 3.343 3.730 0.230 1 0 "[ . 1 . 2]" 2
206 1 54 ASP H 1 55 TYR H 3.500 . 3.500 2.912 2.568 3.121 . 0 0 "[ . 1 . 2]" 2
207 1 54 ASP H 1 55 TYR QD 4.000 . 5.000 4.828 4.244 4.995 . 0 0 "[ . 1 . 2]" 2
208 1 55 TYR HA 1 56 PHE H 3.000 . 3.500 2.194 2.128 2.297 . 0 0 "[ . 1 . 2]" 2
209 1 55 TYR HB3 1 56 PHE H 4.000 . 5.000 2.876 2.613 3.105 . 0 0 "[ . 1 . 2]" 2
210 1 55 TYR HB2 1 56 PHE H 3.500 . 4.000 3.960 3.735 4.040 0.040 19 0 "[ . 1 . 2]" 2
211 1 55 TYR QD 1 56 PHE H 4.000 . 5.000 3.626 3.287 3.935 . 0 0 "[ . 1 . 2]" 2
212 1 54 ASP H 1 55 TYR QE 4.500 . 5.500 5.382 4.498 5.588 0.088 13 0 "[ . 1 . 2]" 2
213 1 55 TYR H 1 56 PHE H 4.000 . 5.000 4.593 4.545 4.631 . 0 0 "[ . 1 . 2]" 2
214 1 56 PHE HA 1 57 LEU H 3.000 . 3.500 2.584 2.245 2.705 . 0 0 "[ . 1 . 2]" 2
215 1 56 PHE QB 1 57 LEU H 3.000 . 3.500 2.147 1.932 2.578 . 0 0 "[ . 1 . 2]" 2
216 1 56 PHE QD 1 57 LEU H 4.500 . 5.500 2.956 2.529 3.566 . 0 0 "[ . 1 . 2]" 2
217 1 56 PHE H 1 57 LEU H 4.000 . 5.000 4.339 4.274 4.376 . 0 0 "[ . 1 . 2]" 2
218 1 57 LEU HA 1 58 MET H 3.000 . 3.500 2.441 2.289 2.490 . 0 0 "[ . 1 . 2]" 2
219 1 57 LEU HB3 1 58 MET H 4.000 . 5.000 2.611 2.248 4.319 . 0 0 "[ . 1 . 2]" 2
220 1 57 LEU HB2 1 58 MET H 3.500 . 4.000 3.578 3.473 3.985 . 0 0 "[ . 1 . 2]" 2
221 1 57 LEU MD1 1 58 MET H 4.000 . 5.000 4.301 1.793 4.622 0.007 15 0 "[ . 1 . 2]" 2
222 1 57 LEU MD2 1 58 MET H 4.000 . 5.000 4.389 4.241 4.502 . 0 0 "[ . 1 . 2]" 2
223 1 57 LEU HG 1 58 MET H 4.000 . 5.000 4.147 3.637 4.308 . 0 0 "[ . 1 . 2]" 2
224 1 58 MET HA 1 59 GLU H 3.000 . 3.500 2.256 2.114 2.368 . 0 0 "[ . 1 . 2]" 2
225 1 59 GLU HA 1 60 GLU H 3.500 . 4.000 2.152 2.071 2.237 . 0 0 "[ . 1 . 2]" 2
226 1 63 PHE HA 1 64 ILE H 4.000 . 5.000 2.813 2.075 3.579 . 0 0 "[ . 1 . 2]" 2
227 1 64 ILE HA 1 65 SER H 2.500 . 3.000 2.613 2.037 3.279 0.279 2 0 "[ . 1 . 2]" 2
228 1 64 ILE HB 1 65 SER H 3.500 . 4.000 3.785 2.226 4.245 0.245 7 0 "[ . 1 . 2]" 2
229 1 64 ILE MG 1 65 SER H 4.000 . 5.000 3.640 1.909 4.261 . 0 0 "[ . 1 . 2]" 2
230 1 64 ILE MG 1 65 SER HA 4.500 . 5.500 4.339 3.244 5.546 0.046 9 0 "[ . 1 . 2]" 2
231 1 65 SER HA 1 66 LYS H 3.500 . 4.000 2.520 2.142 3.543 . 0 0 "[ . 1 . 2]" 2
232 1 66 LYS H 1 67 GLU H 4.000 . 5.000 3.364 1.913 4.466 . 0 0 "[ . 1 . 2]" 2
233 1 67 GLU HA 1 68 LYS H 2.500 . 3.000 2.584 2.348 2.873 . 0 0 "[ . 1 . 2]" 2
234 1 67 GLU HB3 1 68 LYS H 3.000 . 3.500 2.591 1.709 3.580 0.091 4 0 "[ . 1 . 2]" 2
235 1 67 GLU HB2 1 68 LYS H 3.000 . 3.500 2.907 1.889 3.670 0.170 13 0 "[ . 1 . 2]" 2
236 1 68 LYS HA 1 69 ASN H 3.000 . 3.500 2.734 2.085 3.559 0.059 3 0 "[ . 1 . 2]" 2
237 1 68 LYS QB 1 69 ASN H 3.500 . 4.000 3.022 1.862 3.982 . 0 0 "[ . 1 . 2]" 2
238 1 69 ASN HA 1 70 GLU H 3.000 . 3.500 2.292 2.006 2.623 . 0 0 "[ . 1 . 2]" 2
239 1 69 ASN QB 1 70 GLU H 4.000 . 5.000 3.040 1.927 3.992 . 0 0 "[ . 1 . 2]" 2
240 1 69 ASN HA 1 70 GLU HA 3.500 . 4.000 4.189 4.134 4.256 0.256 7 0 "[ . 1 . 2]" 2
241 1 70 GLU HA 1 71 CYS H 2.500 . 3.000 2.391 2.102 3.029 0.029 4 0 "[ . 1 . 2]" 2
242 1 71 CYS HA 1 72 ARG H 3.500 . 4.000 2.576 2.115 3.573 . 0 0 "[ . 1 . 2]" 2
243 1 71 CYS QB 1 72 ARG H 4.000 . 5.000 3.478 2.084 4.020 . 0 0 "[ . 1 . 2]" 2
244 1 74 GLN HA 1 75 PRO QD 2.500 . 3.000 1.878 1.787 1.997 0.013 15 0 "[ . 1 . 2]" 2
245 1 77 GLN HA 1 78 ARG H 4.000 . 5.000 2.223 2.130 2.582 . 0 0 "[ . 1 . 2]" 2
246 1 78 ARG HA 1 79 ALA H 3.000 . 3.500 2.141 2.065 2.247 . 0 0 "[ . 1 . 2]" 2
247 1 78 ARG HB3 1 79 ALA H 4.000 . 5.000 4.072 3.652 4.372 . 0 0 "[ . 1 . 2]" 2
248 1 79 ALA HA 1 80 ILE H 3.500 . 4.000 2.213 2.150 2.264 . 0 0 "[ . 1 . 2]" 2
249 1 79 ALA MB 1 80 ILE H 4.000 . 5.000 2.950 2.784 3.371 . 0 0 "[ . 1 . 2]" 2
250 1 80 ILE MG 1 81 GLY H 3.500 . 4.000 2.948 2.501 3.249 . 0 0 "[ . 1 . 2]" 2
251 1 81 GLY H 1 82 PRO QD 4.000 . 5.000 4.374 4.232 4.426 . 0 0 "[ . 1 . 2]" 2
252 1 81 GLY HA2 1 82 PRO QD 3.000 . 3.500 2.651 2.313 2.931 . 0 0 "[ . 1 . 2]" 2
253 1 81 GLY HA3 1 82 PRO QD 3.000 . 3.500 2.045 1.858 2.401 . 0 0 "[ . 1 . 2]" 2
254 1 81 GLY HA2 1 82 PRO QG 4.000 . 5.000 4.524 4.197 4.789 . 0 0 "[ . 1 . 2]" 2
255 1 81 GLY HA3 1 82 PRO QG 4.000 . 5.000 3.850 3.722 4.067 . 0 0 "[ . 1 . 2]" 2
256 1 82 PRO HA 1 83 GLU H 4.000 . 5.000 3.498 3.442 3.557 . 0 0 "[ . 1 . 2]" 2
257 1 82 PRO HB3 1 83 GLU H 3.500 . 4.000 4.020 3.790 4.138 0.138 12 0 "[ . 1 . 2]" 2
258 1 82 PRO HB2 1 83 GLU H 4.000 . 5.000 2.713 2.355 2.931 . 0 0 "[ . 1 . 2]" 2
259 1 82 PRO QD 1 83 GLU H 3.500 . 4.000 2.601 2.358 3.024 . 0 0 "[ . 1 . 2]" 2
260 1 83 GLU HA 1 84 GLU H 4.000 . 5.000 3.526 3.492 3.564 . 0 0 "[ . 1 . 2]" 2
261 1 83 GLU HB3 1 84 GLU H 3.000 . 3.500 3.539 3.443 3.640 0.140 18 0 "[ . 1 . 2]" 2
262 1 83 GLU H 1 84 GLU H 3.500 . 4.000 2.667 2.306 2.788 . 0 0 "[ . 1 . 2]" 2
263 1 84 GLU HA 1 85 GLU H 3.000 . 3.500 2.189 2.118 2.372 . 0 0 "[ . 1 . 2]" 2
264 1 84 GLU H 1 85 GLU H 4.000 . 5.000 4.274 3.955 4.585 . 0 0 "[ . 1 . 2]" 2
265 1 85 GLU HA 1 86 ILE H 4.000 . 5.000 2.164 2.093 2.240 . 0 0 "[ . 1 . 2]" 2
266 1 85 GLU HB3 1 86 ILE H 4.000 . 5.000 3.057 2.761 3.528 . 0 0 "[ . 1 . 2]" 2
267 1 85 GLU HB2 1 86 ILE H 4.000 . 5.000 4.028 3.805 4.316 . 0 0 "[ . 1 . 2]" 2
268 1 85 GLU QG 1 86 ILE H 4.000 . 5.000 4.064 3.893 4.218 . 0 0 "[ . 1 . 2]" 2
269 1 86 ILE MG 1 87 MET H 4.500 . 5.500 4.004 3.919 4.081 . 0 0 "[ . 1 . 2]" 2
270 1 86 ILE H 1 87 MET H 4.000 . 5.000 2.658 2.565 2.718 . 0 0 "[ . 1 . 2]" 2
271 1 86 ILE MD 1 87 MET ME 4.000 . 5.000 3.301 2.378 4.106 . 0 0 "[ . 1 . 2]" 2
272 1 86 ILE MG 1 87 MET ME 4.500 . 5.500 5.081 4.185 5.537 0.037 5 0 "[ . 1 . 2]" 2
273 1 88 GLN QB 1 89 ILE MD 4.000 . 5.000 3.067 2.841 4.107 . 0 0 "[ . 1 . 2]" 2
274 1 87 MET HA 1 88 GLN H 4.000 . 5.000 3.439 3.411 3.485 . 0 0 "[ . 1 . 2]" 2
275 1 87 MET QB 1 88 GLN H 3.500 . 4.000 3.024 2.819 3.173 . 0 0 "[ . 1 . 2]" 2
276 1 87 MET H 1 88 GLN H 4.000 . 5.000 2.532 2.459 2.619 . 0 0 "[ . 1 . 2]" 2
277 1 88 GLN HA 1 89 ILE H 4.000 . 5.000 3.452 3.390 3.471 . 0 0 "[ . 1 . 2]" 2
278 1 88 GLN QB 1 89 ILE H 3.500 . 4.000 2.592 2.392 3.394 . 0 0 "[ . 1 . 2]" 2
279 1 88 GLN H 1 89 ILE HG13 4.000 . 5.000 4.999 3.391 5.104 0.104 1 0 "[ . 1 . 2]" 2
280 1 88 GLN H 1 89 ILE HG12 4.000 . 5.000 3.476 3.367 4.992 . 0 0 "[ . 1 . 2]" 2
281 1 89 ILE HA 1 90 LEU H 4.000 . 5.000 3.540 3.518 3.573 . 0 0 "[ . 1 . 2]" 2
282 1 89 ILE HB 1 90 LEU H 3.500 . 4.000 2.309 2.240 2.411 . 0 0 "[ . 1 . 2]" 2
283 1 89 ILE MD 1 90 LEU H 4.500 . 5.500 4.414 4.241 4.563 . 0 0 "[ . 1 . 2]" 2
284 1 89 ILE MG 1 90 LEU H 3.500 . 4.000 3.422 3.320 3.513 . 0 0 "[ . 1 . 2]" 2
285 1 89 ILE H 1 90 LEU H 3.000 . 3.500 2.701 2.513 2.805 . 0 0 "[ . 1 . 2]" 2
286 1 88 GLN QB 1 89 ILE MG 4.500 . 5.500 5.029 4.763 5.737 0.237 14 0 "[ . 1 . 2]" 2
287 1 88 GLN HG3 1 89 ILE MD 4.000 . 5.000 4.836 2.397 5.221 0.221 9 0 "[ . 1 . 2]" 2
288 1 89 ILE HB 1 90 LEU MD1 3.500 . 4.000 4.075 4.037 4.107 0.107 8 0 "[ . 1 . 2]" 2
289 1 89 ILE HB 1 90 LEU MD2 3.500 . 4.000 3.578 2.271 4.033 0.033 14 0 "[ . 1 . 2]" 2
290 1 89 ILE MG 1 90 LEU HA 4.500 . 5.500 3.517 3.256 3.721 . 0 0 "[ . 1 . 2]" 2
291 1 90 LEU HA 1 91 SER H 4.000 . 5.000 3.491 3.433 3.546 . 0 0 "[ . 1 . 2]" 2
292 1 90 LEU HB3 1 91 SER H 4.000 . 5.000 3.856 3.541 4.030 . 0 0 "[ . 1 . 2]" 2
293 1 90 LEU HB2 1 91 SER H 4.000 . 5.000 2.959 2.634 3.129 . 0 0 "[ . 1 . 2]" 2
294 1 90 LEU H 1 91 SER H 3.500 . 4.000 2.591 2.521 2.686 . 0 0 "[ . 1 . 2]" 2
295 1 91 SER HA 1 92 SER H 3.500 . 4.000 3.413 3.236 3.551 . 0 0 "[ . 1 . 2]" 2
296 1 91 SER H 1 92 SER H 3.500 . 4.000 2.523 2.312 2.924 . 0 0 "[ . 1 . 2]" 2
297 1 92 SER H 1 93 TRP H 3.500 . 4.000 2.725 2.152 4.240 0.240 7 0 "[ . 1 . 2]" 2
298 1 93 TRP HD1 1 94 PHE H 3.500 . 4.000 3.612 2.687 4.045 0.045 18 0 "[ . 1 . 2]" 2
299 1 94 PHE HA 1 95 PRO HD3 3.000 . 3.500 2.091 1.778 3.765 0.265 14 0 "[ . 1 . 2]" 2
300 1 94 PHE HA 1 95 PRO HD2 3.000 . 3.500 2.526 1.952 3.739 0.239 14 0 "[ . 1 . 2]" 2
301 1 94 PHE HA 1 95 PRO QG 4.000 . 5.000 3.836 3.663 5.173 0.173 14 0 "[ . 1 . 2]" 2
302 1 97 GLU HA 1 98 GLY H 4.000 . 5.000 3.169 2.145 3.576 . 0 0 "[ . 1 . 2]" 2
303 1 98 GLY HA3 1 99 TYR H 4.000 . 5.000 2.869 2.140 3.538 . 0 0 "[ . 1 . 2]" 2
304 1 98 GLY HA2 1 99 TYR H 3.500 . 4.000 2.808 2.125 3.556 . 0 0 "[ . 1 . 2]" 2
305 1 98 GLY H 1 99 TYR H 4.000 . 5.000 3.791 2.300 4.624 . 0 0 "[ . 1 . 2]" 2
306 1 99 TYR QE 1 100 MET ME 4.500 . 5.500 4.895 3.233 5.576 0.076 14 0 "[ . 1 . 2]" 2
307 1 102 ARG HA 1 103 ILE H 3.000 . 3.500 2.240 2.109 2.483 . 0 0 "[ . 1 . 2]" 2
308 1 102 ARG HB3 1 103 ILE H 3.500 . 4.000 3.970 3.467 4.116 0.116 12 0 "[ . 1 . 2]" 2
309 1 102 ARG HB2 1 103 ILE H 3.500 . 4.000 2.939 2.203 4.092 0.092 14 0 "[ . 1 . 2]" 2
310 1 102 ARG HA 1 103 ILE MD 4.500 . 5.500 5.162 4.512 5.510 0.010 20 0 "[ . 1 . 2]" 2
311 1 103 ILE HA 1 104 VAL H 3.000 . 3.500 2.128 2.007 2.185 . 0 0 "[ . 1 . 2]" 2
312 1 103 ILE HA 1 104 VAL MG1 4.000 . 5.000 4.501 3.543 5.323 0.323 2 0 "[ . 1 . 2]" 2
313 1 104 VAL HA 1 105 LEU H 3.000 . 3.500 2.163 2.100 2.288 . 0 0 "[ . 1 . 2]" 2
314 1 104 VAL H 1 105 LEU H 4.000 . 5.000 4.189 4.001 4.484 . 0 0 "[ . 1 . 2]" 2
315 1 104 VAL H 1 105 LEU MD1 4.500 . 5.500 5.679 5.602 5.751 0.251 12 0 "[ . 1 . 2]" 2
316 1 105 LEU HA 1 106 LYS H 3.000 . 3.500 2.106 2.052 2.159 . 0 0 "[ . 1 . 2]" 2
317 1 105 LEU HB3 1 106 LYS H 3.500 . 4.000 4.140 4.081 4.194 0.194 15 0 "[ . 1 . 2]" 2
318 1 105 LEU HB2 1 106 LYS H 4.000 . 5.000 4.445 4.260 4.536 . 0 0 "[ . 1 . 2]" 2
319 1 105 LEU QD 1 106 LYS H 4.000 . 5.000 2.920 2.023 3.335 . 0 0 "[ . 1 . 2]" 2
320 1 105 LEU HG 1 106 LYS H 4.000 . 5.000 3.433 3.240 3.678 . 0 0 "[ . 1 . 2]" 2
321 1 105 LEU H 1 106 LYS H 4.000 . 5.000 4.269 4.081 4.466 . 0 0 "[ . 1 . 2]" 2
322 1 105 LEU HB3 1 106 LYS HA 4.000 . 5.000 4.678 4.509 4.895 . 0 0 "[ . 1 . 2]" 2
323 1 106 LYS HA 1 107 THR H 2.500 . 3.000 2.613 2.473 2.690 . 0 0 "[ . 1 . 2]" 2
324 1 106 LYS HB3 1 107 THR H 4.000 . 5.000 2.039 1.931 2.259 . 0 0 "[ . 1 . 2]" 2
325 1 106 LYS HB2 1 107 THR H 3.500 . 4.000 3.307 2.986 3.615 . 0 0 "[ . 1 . 2]" 2
326 1 106 LYS QD 1 107 THR H 3.500 . 4.000 3.316 2.837 3.982 . 0 0 "[ . 1 . 2]" 2
327 1 106 LYS QG 1 107 THR H 3.500 . 4.000 4.018 3.920 4.096 0.096 14 0 "[ . 1 . 2]" 2
328 1 106 LYS H 1 107 THR H 4.000 . 5.000 4.422 4.378 4.463 . 0 0 "[ . 1 . 2]" 2
329 1 107 THR HA 1 108 GLN H 2.500 . 3.000 2.302 2.170 2.426 . 0 0 "[ . 1 . 2]" 2
330 1 107 THR HB 1 108 GLN H 3.500 . 4.000 2.764 2.325 3.604 . 0 0 "[ . 1 . 2]" 2
331 1 107 THR MG 1 108 GLN H 3.500 . 4.000 3.771 2.258 4.024 0.024 5 0 "[ . 1 . 2]" 2
332 1 107 THR H 1 108 GLN H 3.500 . 4.000 4.286 4.184 4.332 0.332 8 0 "[ . 1 . 2]" 2
333 1 108 GLN HA 1 109 GLN H 2.500 . 3.000 2.799 2.533 3.019 0.019 2 0 "[ . 1 . 2]" 2
334 1 108 GLN H 1 109 GLN H 2.500 . 3.000 3.075 2.752 3.248 0.248 14 0 "[ . 1 . 2]" 2
335 1 109 GLN HA 1 110 GLU H 2.500 . 3.000 2.281 2.109 2.730 . 0 0 "[ . 1 . 2]" 2
336 1 109 GLN HB2 1 110 GLU H 3.000 . 3.500 3.382 2.433 3.660 0.160 1 0 "[ . 1 . 2]" 2
337 1 109 GLN QG 1 110 GLU H 4.000 . 5.000 3.105 2.163 4.327 . 0 0 "[ . 1 . 2]" 2
338 1 109 GLN H 1 110 GLU H 4.000 . 5.000 4.457 4.290 4.604 . 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 138
_Distance_constraint_stats_list.Viol_count 728
_Distance_constraint_stats_list.Viol_total 1634.044
_Distance_constraint_stats_list.Viol_max 0.449
_Distance_constraint_stats_list.Viol_rms 0.0677
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0296
_Distance_constraint_stats_list.Viol_average_violations_only 0.1122
_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 13 THR 0.431 0.122 14 0 "[ . 1 . 2]"
1 14 VAL 2.183 0.186 5 0 "[ . 1 . 2]"
1 15 HIS 0.431 0.122 14 0 "[ . 1 . 2]"
1 16 GLY 0.035 0.018 15 0 "[ . 1 . 2]"
1 17 VAL 2.148 0.186 5 0 "[ . 1 . 2]"
1 19 GLY 2.383 0.171 16 0 "[ . 1 . 2]"
1 21 GLU 4.401 0.171 16 0 "[ . 1 . 2]"
1 23 PHE 2.018 0.120 4 0 "[ . 1 . 2]"
1 24 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 PHE 2.407 0.130 7 0 "[ . 1 . 2]"
1 28 ILE 7.621 0.271 13 0 "[ . 1 . 2]"
1 29 ASN 1.110 0.141 12 0 "[ . 1 . 2]"
1 32 THR 10.374 0.271 13 0 "[ . 1 . 2]"
1 33 LYS 0.689 0.125 2 0 "[ . 1 . 2]"
1 34 ALA 1.609 0.138 17 0 "[ . 1 . 2]"
1 35 LYS 5.941 0.256 20 0 "[ . 1 . 2]"
1 36 GLN 0.797 0.125 2 0 "[ . 1 . 2]"
1 37 LEU 13.543 0.449 7 0 "[ . 1 . 2]"
1 38 LEU 9.505 0.299 18 0 "[ . 1 . 2]"
1 39 GLN 18.410 0.449 7 0 "[ . 1 . 2]"
1 40 GLN 1.490 0.104 5 0 "[ . 1 . 2]"
1 41 ILE 10.195 0.315 18 0 "[ . 1 . 2]"
1 42 LEU 10.349 0.355 15 0 "[ . 1 . 2]"
1 43 THR 2.915 0.315 18 0 "[ . 1 . 2]"
1 44 ASN 3.221 0.310 8 0 "[ . 1 . 2]"
1 45 GLU 0.747 0.181 18 0 "[ . 1 . 2]"
1 46 GLN 4.856 0.310 8 0 "[ . 1 . 2]"
1 48 ILE 4.991 0.288 7 0 "[ . 1 . 2]"
1 50 PRO 3.383 0.232 6 0 "[ . 1 . 2]"
1 51 VAL 0.616 0.062 2 0 "[ . 1 . 2]"
1 52 THR 4.334 0.232 6 0 "[ . 1 . 2]"
1 53 THR 3.582 0.198 1 0 "[ . 1 . 2]"
1 55 TYR 3.916 0.198 1 0 "[ . 1 . 2]"
1 56 PHE 0.462 0.060 2 0 "[ . 1 . 2]"
1 58 MET 0.462 0.060 2 0 "[ . 1 . 2]"
1 80 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 GLY 0.273 0.070 9 0 "[ . 1 . 2]"
1 82 PRO 1.834 0.214 6 0 "[ . 1 . 2]"
1 83 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 GLU 0.273 0.070 9 0 "[ . 1 . 2]"
1 85 GLU 1.834 0.214 6 0 "[ . 1 . 2]"
1 86 ILE 2.077 0.133 16 0 "[ . 1 . 2]"
1 87 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 GLN 1.907 0.133 16 0 "[ . 1 . 2]"
1 89 ILE 0.170 0.105 9 0 "[ . 1 . 2]"
1 90 LEU 0.083 0.036 7 0 "[ . 1 . 2]"
1 91 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 SER 0.070 0.060 12 0 "[ . 1 . 2]"
1 93 TRP 0.083 0.036 7 0 "[ . 1 . 2]"
1 94 PHE 0.070 0.060 12 0 "[ . 1 . 2]"
1 102 ARG 0.457 0.139 2 0 "[ . 1 . 2]"
1 104 VAL 6.589 0.408 2 0 "[ . 1 . 2]"
1 106 LYS 6.132 0.408 2 0 "[ . 1 . 2]"
1 107 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 109 GLN 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 13 THR MG 1 15 HIS HA 4.000 . 5.000 4.145 3.763 4.388 . 0 0 "[ . 1 . 2]" 3
2 1 13 THR MG 1 15 HIS HE1 4.000 . 5.000 4.769 3.400 5.122 0.122 14 0 "[ . 1 . 2]" 3
3 1 14 VAL HB 1 16 GLY H 4.000 . 5.000 4.285 3.904 5.018 0.018 15 0 "[ . 1 . 2]" 3
4 1 14 VAL MG1 1 17 VAL HB 3.000 . 3.500 3.496 2.794 3.686 0.186 5 0 "[ . 1 . 2]" 3
5 1 19 GLY HA2 1 21 GLU H 3.000 . 3.500 3.171 2.896 3.348 . 0 0 "[ . 1 . 2]" 3
6 1 19 GLY HA3 1 21 GLU H 3.500 . 4.000 4.119 4.087 4.171 0.171 16 0 "[ . 1 . 2]" 3
7 1 21 GLU HA 1 23 PHE H 3.500 . 4.000 4.012 3.928 4.080 0.080 7 0 "[ . 1 . 2]" 3
8 1 21 GLU HB3 1 23 PHE H 3.500 . 4.000 2.939 2.746 3.168 . 0 0 "[ . 1 . 2]" 3
9 1 21 GLU HB2 1 23 PHE H 3.000 . 3.500 3.576 3.539 3.620 0.120 4 0 "[ . 1 . 2]" 3
10 1 21 GLU HG2 1 24 THR HB 4.000 . 5.000 4.401 3.235 4.961 . 0 0 "[ . 1 . 2]" 3
11 1 24 THR MG 1 26 PHE H 4.000 . 5.000 4.758 4.557 4.983 . 0 0 "[ . 1 . 2]" 3
12 1 26 PHE HA 1 28 ILE MG 4.500 . 5.500 5.502 5.229 5.570 0.070 2 0 "[ . 1 . 2]" 3
13 1 26 PHE HB3 1 28 ILE MG 4.500 . 5.500 4.825 4.350 4.967 . 0 0 "[ . 1 . 2]" 3
14 1 26 PHE HB2 1 28 ILE MG 4.500 . 5.500 4.270 3.992 4.328 . 0 0 "[ . 1 . 2]" 3
15 1 26 PHE QD 1 28 ILE MG 4.500 . 5.500 5.591 5.404 5.630 0.130 7 0 "[ . 1 . 2]" 3
16 1 28 ILE HB 1 32 THR H 4.000 . 5.000 4.196 3.304 5.070 0.070 20 0 "[ . 1 . 2]" 3
17 1 28 ILE MD 1 32 THR H 4.500 . 5.500 3.257 1.762 4.529 0.038 11 0 "[ . 1 . 2]" 3
18 1 28 ILE HA 1 32 THR MG 3.500 . 4.000 3.150 2.853 3.328 . 0 0 "[ . 1 . 2]" 3
19 1 28 ILE HB 1 32 THR HA 4.000 . 5.000 4.998 4.832 5.049 0.049 2 0 "[ . 1 . 2]" 3
20 1 28 ILE HB 1 32 THR HB 3.000 . 3.500 3.441 3.135 3.588 0.088 18 0 "[ . 1 . 2]" 3
21 1 28 ILE HB 1 32 THR MG 4.000 . 5.000 2.438 1.986 2.688 . 0 0 "[ . 1 . 2]" 3
22 1 28 ILE MG 1 32 THR HA 4.500 . 5.500 5.697 5.659 5.771 0.271 13 0 "[ . 1 . 2]" 3
23 1 28 ILE MG 1 32 THR HB 4.000 . 5.000 3.846 3.692 4.031 . 0 0 "[ . 1 . 2]" 3
24 1 28 ILE MG 1 32 THR MG 3.000 . 3.500 3.449 3.156 3.591 0.091 17 0 "[ . 1 . 2]" 3
25 1 28 ILE MD 1 32 THR HA 4.000 . 5.000 4.788 4.187 5.041 0.041 13 0 "[ . 1 . 2]" 3
26 1 28 ILE MD 1 32 THR MG 3.500 . 4.000 3.485 2.925 3.840 . 0 0 "[ . 1 . 2]" 3
27 1 29 ASN H 1 32 THR H 4.000 . 5.000 3.958 3.441 4.519 . 0 0 "[ . 1 . 2]" 3
28 1 29 ASN H 1 32 THR HA 4.000 . 5.000 5.035 4.740 5.141 0.141 12 0 "[ . 1 . 2]" 3
29 1 29 ASN H 1 32 THR MG 4.000 . 5.000 2.254 1.978 2.472 . 0 0 "[ . 1 . 2]" 3
30 1 32 THR HB 1 35 LYS H 4.500 . 5.500 5.697 5.630 5.756 0.256 20 0 "[ . 1 . 2]" 3
31 1 32 THR HA 1 36 GLN HB2 4.000 . 5.000 3.263 1.988 4.838 . 0 0 "[ . 1 . 2]" 3
32 1 32 THR MG 1 36 GLN HA 4.000 . 5.000 4.634 3.882 5.036 0.036 12 0 "[ . 1 . 2]" 3
33 1 32 THR MG 1 36 GLN HB3 3.500 . 4.000 2.565 1.803 3.109 . 0 0 "[ . 1 . 2]" 3
34 1 32 THR MG 1 36 GLN HB2 3.500 . 4.000 3.037 2.441 4.023 0.023 18 0 "[ . 1 . 2]" 3
35 1 33 LYS HB2 1 35 LYS H 4.000 . 5.000 3.118 2.458 3.492 . 0 0 "[ . 1 . 2]" 3
36 1 33 LYS HD2 1 36 GLN H 3.500 . 4.000 3.997 3.692 4.125 0.125 2 0 "[ . 1 . 2]" 3
37 1 33 LYS H 1 36 GLN HB2 4.000 . 5.000 3.005 2.048 4.321 . 0 0 "[ . 1 . 2]" 3
38 1 34 ALA HA 1 37 LEU H 4.000 . 5.000 3.488 3.390 3.617 . 0 0 "[ . 1 . 2]" 3
39 1 34 ALA HA 1 37 LEU HB3 3.500 . 4.000 2.805 2.730 2.931 . 0 0 "[ . 1 . 2]" 3
40 1 34 ALA HA 1 37 LEU HB2 3.000 . 3.500 2.575 2.397 2.789 . 0 0 "[ . 1 . 2]" 3
41 1 34 ALA HA 1 37 LEU HG 3.500 . 4.000 4.080 4.010 4.138 0.138 17 0 "[ . 1 . 2]" 3
42 1 34 ALA HA 1 37 LEU MD1 4.500 . 5.500 4.524 4.433 4.697 . 0 0 "[ . 1 . 2]" 3
43 1 35 LYS HA 1 38 LEU H 4.000 . 5.000 3.098 2.935 3.280 . 0 0 "[ . 1 . 2]" 3
44 1 35 LYS HA 1 38 LEU HB3 2.500 . 3.000 3.100 3.043 3.160 0.160 4 0 "[ . 1 . 2]" 3
45 1 35 LYS HA 1 38 LEU HB2 3.000 . 3.500 3.045 2.747 3.407 . 0 0 "[ . 1 . 2]" 3
46 1 35 LYS HA 1 38 LEU MD1 4.500 . 5.500 4.227 3.932 4.461 . 0 0 "[ . 1 . 2]" 3
47 1 35 LYS HA 1 38 LEU MD2 4.500 . 5.500 5.285 5.115 5.501 0.001 5 0 "[ . 1 . 2]" 3
48 1 35 LYS HA 1 39 GLN H 4.000 . 5.000 4.310 4.092 4.453 . 0 0 "[ . 1 . 2]" 3
49 1 36 GLN HA 1 39 GLN H 3.500 . 4.000 3.698 3.560 3.864 . 0 0 "[ . 1 . 2]" 3
50 1 36 GLN H 1 38 LEU H 4.000 . 5.000 4.286 4.153 4.410 . 0 0 "[ . 1 . 2]" 3
51 1 36 GLN HA 1 39 GLN HB3 3.000 . 3.500 3.226 3.027 3.393 . 0 0 "[ . 1 . 2]" 3
52 1 36 GLN HA 1 39 GLN HB2 3.000 . 3.500 2.875 2.604 3.134 . 0 0 "[ . 1 . 2]" 3
53 1 37 LEU MD1 1 39 GLN HB2 4.500 . 5.500 5.891 5.770 5.949 0.449 7 0 "[ . 1 . 2]" 3
54 1 37 LEU MD2 1 39 GLN HB2 4.500 . 5.500 5.632 5.588 5.779 0.279 5 0 "[ . 1 . 2]" 3
55 1 37 LEU HA 1 40 GLN H 3.500 . 4.000 2.564 2.488 2.698 . 0 0 "[ . 1 . 2]" 3
56 1 37 LEU MD1 1 40 GLN HE21 4.500 . 5.500 4.108 3.940 4.247 . 0 0 "[ . 1 . 2]" 3
57 1 37 LEU MD1 1 40 GLN HE22 4.500 . 5.500 5.482 5.343 5.604 0.104 5 0 "[ . 1 . 2]" 3
58 1 37 LEU MD1 1 40 GLN H 4.500 . 5.500 3.269 3.205 3.348 . 0 0 "[ . 1 . 2]" 3
59 1 37 LEU MD2 1 40 GLN H 4.500 . 5.500 3.529 3.359 3.857 . 0 0 "[ . 1 . 2]" 3
60 1 37 LEU MD1 1 40 GLN HA 4.000 . 5.000 4.297 4.222 4.359 . 0 0 "[ . 1 . 2]" 3
61 1 37 LEU HA 1 40 GLN QB 2.500 . 3.000 2.028 1.940 2.132 . 0 0 "[ . 1 . 2]" 3
62 1 37 LEU HA 1 40 GLN HG3 3.000 . 3.500 3.520 3.460 3.561 0.061 3 0 "[ . 1 . 2]" 3
63 1 37 LEU HA 1 40 GLN HG2 3.500 . 4.000 3.099 3.032 3.218 . 0 0 "[ . 1 . 2]" 3
64 1 37 LEU MD1 1 40 GLN QB 4.000 . 5.000 1.765 1.737 1.785 0.063 20 0 "[ . 1 . 2]" 3
65 1 37 LEU MD1 1 40 GLN HG3 4.500 . 5.500 3.321 3.202 3.404 . 0 0 "[ . 1 . 2]" 3
66 1 37 LEU MD1 1 40 GLN HG2 4.500 . 5.500 3.788 3.685 3.912 . 0 0 "[ . 1 . 2]" 3
67 1 37 LEU MD2 1 40 GLN HG3 4.500 . 5.500 2.318 2.077 2.777 . 0 0 "[ . 1 . 2]" 3
68 1 37 LEU MD2 1 40 GLN HG2 4.500 . 5.500 2.764 2.555 3.101 . 0 0 "[ . 1 . 2]" 3
69 1 38 LEU HA 1 41 ILE H 4.000 . 5.000 3.341 3.223 3.446 . 0 0 "[ . 1 . 2]" 3
70 1 38 LEU QD 1 41 ILE H 4.000 . 5.000 3.719 3.572 3.814 . 0 0 "[ . 1 . 2]" 3
71 1 38 LEU HA 1 41 ILE HB 3.000 . 3.500 2.477 2.405 2.546 . 0 0 "[ . 1 . 2]" 3
72 1 38 LEU HA 1 41 ILE MD 3.500 . 4.000 3.856 3.568 4.056 0.056 17 0 "[ . 1 . 2]" 3
73 1 38 LEU HA 1 41 ILE HG12 4.000 . 5.000 2.963 2.318 3.761 . 0 0 "[ . 1 . 2]" 3
74 1 38 LEU HA 1 41 ILE MG 3.000 . 3.500 3.615 3.563 3.671 0.171 5 0 "[ . 1 . 2]" 3
75 1 38 LEU MD2 1 41 ILE MD 3.500 . 4.000 4.247 4.151 4.299 0.299 18 0 "[ . 1 . 2]" 3
76 1 38 LEU MD1 1 41 ILE HB 4.000 . 5.000 4.534 4.032 5.039 0.039 9 0 "[ . 1 . 2]" 3
77 1 38 LEU QD 1 42 LEU H 4.500 . 5.500 3.308 3.009 3.694 . 0 0 "[ . 1 . 2]" 3
78 1 38 LEU MD2 1 42 LEU MD1 3.500 . 4.000 2.614 2.167 3.184 . 0 0 "[ . 1 . 2]" 3
79 1 39 GLN HA 1 42 LEU H 4.000 . 5.000 3.341 3.233 3.472 . 0 0 "[ . 1 . 2]" 3
80 1 39 GLN H 1 41 ILE H 4.000 . 5.000 3.982 3.884 4.094 . 0 0 "[ . 1 . 2]" 3
81 1 39 GLN HA 1 42 LEU HB3 3.000 . 3.500 3.754 3.676 3.855 0.355 15 0 "[ . 1 . 2]" 3
82 1 39 GLN HA 1 42 LEU HB2 3.000 . 3.500 2.287 2.195 2.397 . 0 0 "[ . 1 . 2]" 3
83 1 39 GLN HA 1 42 LEU MD2 4.000 . 5.000 4.340 4.135 4.671 . 0 0 "[ . 1 . 2]" 3
84 1 40 GLN HA 1 43 THR H 4.000 . 5.000 3.488 3.350 3.635 . 0 0 "[ . 1 . 2]" 3
85 1 40 GLN HA 1 43 THR HB 3.500 . 4.000 2.894 2.292 3.481 . 0 0 "[ . 1 . 2]" 3
86 1 40 GLN HA 1 43 THR MG 4.000 . 5.000 3.229 2.228 3.783 . 0 0 "[ . 1 . 2]" 3
87 1 41 ILE MD 1 43 THR MG 4.500 . 5.500 5.350 4.446 5.815 0.315 18 0 "[ . 1 . 2]" 3
88 1 39 GLN H 1 42 LEU MD2 4.500 . 5.500 5.644 5.572 5.736 0.236 7 0 "[ . 1 . 2]" 3
89 1 42 LEU HB2 1 44 ASN H 4.000 . 5.000 5.115 4.915 5.206 0.206 19 0 "[ . 1 . 2]" 3
90 1 43 THR MG 1 48 ILE HA 4.000 . 5.000 4.280 2.977 5.101 0.101 18 0 "[ . 1 . 2]" 3
91 1 44 ASN QB 1 46 GLN H 4.000 . 5.000 3.320 2.178 5.310 0.310 8 0 "[ . 1 . 2]" 3
92 1 45 GLU HA 1 48 ILE HB 4.000 . 5.000 4.648 4.195 5.181 0.181 18 0 "[ . 1 . 2]" 3
93 1 45 GLU HA 1 48 ILE MD 4.500 . 5.500 3.864 3.059 4.692 . 0 0 "[ . 1 . 2]" 3
94 1 45 GLU HA 1 48 ILE MG 4.000 . 5.000 3.792 3.017 5.162 0.162 7 0 "[ . 1 . 2]" 3
95 1 46 GLN HA 1 48 ILE H 3.000 . 3.500 3.614 3.309 3.788 0.288 7 0 "[ . 1 . 2]" 3
96 1 46 GLN HB3 1 48 ILE H 3.500 . 4.000 3.682 1.999 4.148 0.148 9 0 "[ . 1 . 2]" 3
97 1 46 GLN HB2 1 48 ILE H 3.500 . 4.000 3.152 2.486 4.138 0.138 9 0 "[ . 1 . 2]" 3
98 1 50 PRO HB3 1 52 THR MG 3.000 . 3.500 3.652 3.549 3.732 0.232 6 0 "[ . 1 . 2]" 3
99 1 50 PRO QG 1 52 THR MG 3.500 . 4.000 3.565 2.564 4.104 0.104 8 0 "[ . 1 . 2]" 3
100 1 51 VAL HB 1 53 THR H 4.000 . 5.000 5.020 4.835 5.062 0.062 2 0 "[ . 1 . 2]" 3
101 1 51 VAL QG 1 53 THR H 4.000 . 5.000 4.285 3.965 5.027 0.027 18 0 "[ . 1 . 2]" 3
102 1 52 THR MG 1 55 TYR QE 4.500 . 5.500 5.512 5.268 5.625 0.125 18 0 "[ . 1 . 2]" 3
103 1 53 THR HA 1 55 TYR H 3.500 . 4.000 4.148 4.105 4.198 0.198 1 0 "[ . 1 . 2]" 3
104 1 53 THR HB 1 55 TYR QE 4.500 . 5.500 4.757 2.883 5.403 . 0 0 "[ . 1 . 2]" 3
105 1 56 PHE QE 1 58 MET HB3 4.500 . 5.500 4.271 2.685 5.445 . 0 0 "[ . 1 . 2]" 3
106 1 56 PHE QE 1 58 MET HB2 4.500 . 5.500 4.282 2.927 4.856 . 0 0 "[ . 1 . 2]" 3
107 1 56 PHE QE 1 58 MET ME 3.500 . 4.000 3.590 1.801 4.060 0.060 2 0 "[ . 1 . 2]" 3
108 1 80 ILE MG 1 84 GLU H 4.500 . 5.500 4.331 3.875 4.787 . 0 0 "[ . 1 . 2]" 3
109 1 81 GLY HA2 1 83 GLU H 4.000 . 5.000 3.511 3.289 3.860 . 0 0 "[ . 1 . 2]" 3
110 1 81 GLY HA2 1 84 GLU H 3.500 . 4.000 3.634 3.340 3.934 . 0 0 "[ . 1 . 2]" 3
111 1 81 GLY HA3 1 84 GLU H 4.000 . 5.000 4.761 4.590 4.932 . 0 0 "[ . 1 . 2]" 3
112 1 81 GLY H 1 84 GLU HG3 4.000 . 5.000 3.810 3.234 4.492 . 0 0 "[ . 1 . 2]" 3
113 1 81 GLY H 1 84 GLU HG2 4.000 . 5.000 4.570 2.760 5.070 0.070 9 0 "[ . 1 . 2]" 3
114 1 82 PRO HA 1 85 GLU QG 4.000 . 5.000 5.092 5.011 5.214 0.214 6 0 "[ . 1 . 2]" 3
115 1 86 ILE HA 1 88 GLN H 4.000 . 5.000 3.755 3.680 3.850 . 0 0 "[ . 1 . 2]" 3
116 1 86 ILE MG 1 88 GLN H 4.000 . 5.000 5.095 5.046 5.133 0.133 16 0 "[ . 1 . 2]" 3
117 1 86 ILE HA 1 89 ILE HG12 3.000 . 3.500 2.170 1.791 3.605 0.105 9 0 "[ . 1 . 2]" 3
118 1 86 ILE HA 1 89 ILE MD 3.500 . 4.000 3.584 1.744 3.987 0.056 9 0 "[ . 1 . 2]" 3
119 1 87 MET HA 1 90 LEU H 4.000 . 5.000 3.265 2.942 3.606 . 0 0 "[ . 1 . 2]" 3
120 1 87 MET HA 1 90 LEU HB3 4.000 . 5.000 4.416 4.125 4.869 . 0 0 "[ . 1 . 2]" 3
121 1 87 MET HA 1 90 LEU HB2 4.000 . 5.000 2.722 2.401 3.171 . 0 0 "[ . 1 . 2]" 3
122 1 87 MET HA 1 90 LEU MD1 4.500 . 5.500 3.132 2.116 5.265 . 0 0 "[ . 1 . 2]" 3
123 1 87 MET HA 1 90 LEU MD2 4.500 . 5.500 4.539 2.780 5.343 . 0 0 "[ . 1 . 2]" 3
124 1 88 GLN HA 1 91 SER H 3.500 . 4.000 3.523 3.179 3.941 . 0 0 "[ . 1 . 2]" 3
125 1 90 LEU MD2 1 93 TRP HE3 4.500 . 5.500 4.129 2.529 5.536 0.036 7 0 "[ . 1 . 2]" 3
126 1 92 SER HA 1 94 PHE QD 4.000 . 5.000 4.233 2.627 5.060 0.060 12 0 "[ . 1 . 2]" 3
127 1 102 ARG HG2 1 104 VAL MG1 4.000 . 5.000 4.488 3.435 5.139 0.139 2 0 "[ . 1 . 2]" 3
128 1 104 VAL QG 1 106 LYS HB3 5.000 . 6.000 4.549 3.818 4.984 . 0 0 "[ . 1 . 2]" 3
129 1 104 VAL QG 1 106 LYS HB2 5.000 . 6.000 4.206 3.698 4.905 . 0 0 "[ . 1 . 2]" 3
130 1 104 VAL QG 1 106 LYS QG 4.500 . 5.500 2.248 1.722 2.765 0.078 10 0 "[ . 1 . 2]" 3
131 1 104 VAL HB 1 106 LYS QD 4.000 . 5.000 3.149 2.066 4.780 . 0 0 "[ . 1 . 2]" 3
132 1 104 VAL HB 1 106 LYS QG 3.500 . 4.000 2.775 1.736 4.146 0.146 10 0 "[ . 1 . 2]" 3
133 1 104 VAL MG2 1 106 LYS QD 3.000 . 3.500 3.176 1.763 3.596 0.096 9 0 "[ . 1 . 2]" 3
134 1 104 VAL MG2 1 106 LYS HE3 3.500 . 4.000 3.266 2.472 4.162 0.162 10 0 "[ . 1 . 2]" 3
135 1 104 VAL MG2 1 106 LYS HE2 4.000 . 5.000 2.678 1.779 4.756 0.021 9 0 "[ . 1 . 2]" 3
136 1 104 VAL MG2 1 106 LYS HA 4.000 . 4.500 4.678 3.304 4.908 0.408 2 0 "[ . 1 . 2]" 3
137 1 107 THR HB 1 109 GLN H 4.000 . 5.000 3.133 2.249 3.860 . 0 0 "[ . 1 . 2]" 3
138 1 107 THR MG 1 109 GLN H 4.000 . 5.000 4.219 3.123 4.617 . 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 270
_Distance_constraint_stats_list.Viol_count 1137
_Distance_constraint_stats_list.Viol_total 1947.258
_Distance_constraint_stats_list.Viol_max 0.359
_Distance_constraint_stats_list.Viol_rms 0.0492
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0180
_Distance_constraint_stats_list.Viol_average_violations_only 0.0856
_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 THR 4.421 0.173 18 0 "[ . 1 . 2]"
1 10 HIS 2.581 0.143 14 0 "[ . 1 . 2]"
1 11 ARG 7.772 0.253 5 0 "[ . 1 . 2]"
1 12 VAL 3.725 0.120 13 0 "[ . 1 . 2]"
1 13 THR 8.918 0.359 1 0 "[ . 1 . 2]"
1 14 VAL 1.715 0.116 19 0 "[ . 1 . 2]"
1 15 HIS 2.598 0.193 18 0 "[ . 1 . 2]"
1 16 GLY 2.180 0.177 1 0 "[ . 1 . 2]"
1 17 VAL 1.450 0.092 1 0 "[ . 1 . 2]"
1 18 PRO 0.360 0.128 13 0 "[ . 1 . 2]"
1 23 PHE 1.724 0.115 4 0 "[ . 1 . 2]"
1 24 THR 0.385 0.069 20 0 "[ . 1 . 2]"
1 25 VAL 9.708 0.359 1 0 "[ . 1 . 2]"
1 26 PHE 8.210 0.249 5 0 "[ . 1 . 2]"
1 27 THR 2.219 0.102 13 0 "[ . 1 . 2]"
1 28 ILE 9.998 0.259 6 0 "[ . 1 . 2]"
1 29 ASN 3.667 0.173 18 0 "[ . 1 . 2]"
1 32 THR 1.431 0.124 11 0 "[ . 1 . 2]"
1 33 LYS 0.019 0.017 18 0 "[ . 1 . 2]"
1 34 ALA 3.157 0.159 1 0 "[ . 1 . 2]"
1 35 LYS 1.414 0.138 13 0 "[ . 1 . 2]"
1 37 LEU 4.743 0.201 5 0 "[ . 1 . 2]"
1 38 LEU 0.410 0.079 18 0 "[ . 1 . 2]"
1 39 GLN 0.922 0.132 4 0 "[ . 1 . 2]"
1 40 GLN 6.290 0.249 5 0 "[ . 1 . 2]"
1 41 ILE 10.093 0.259 6 0 "[ . 1 . 2]"
1 42 LEU 2.839 0.230 16 0 "[ . 1 . 2]"
1 43 THR 3.019 0.241 14 0 "[ . 1 . 2]"
1 44 ASN 0.094 0.054 18 0 "[ . 1 . 2]"
1 48 ILE 2.682 0.230 16 0 "[ . 1 . 2]"
1 50 PRO 3.113 0.241 14 0 "[ . 1 . 2]"
1 52 THR 1.159 0.132 4 0 "[ . 1 . 2]"
1 53 THR 0.751 0.140 9 0 "[ . 1 . 2]"
1 54 ASP 1.375 0.142 8 0 "[ . 1 . 2]"
1 55 TYR 5.987 0.233 2 0 "[ . 1 . 2]"
1 56 PHE 4.177 0.226 15 0 "[ . 1 . 2]"
1 57 LEU 13.517 0.355 15 0 "[ . 1 . 2]"
1 58 MET 10.117 0.327 10 0 "[ . 1 . 2]"
1 59 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 GLU 0.282 0.099 7 0 "[ . 1 . 2]"
1 61 LYS 0.203 0.089 15 0 "[ . 1 . 2]"
1 64 ILE 0.096 0.024 12 0 "[ . 1 . 2]"
1 78 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 ALA 3.947 0.297 8 0 "[ . 1 . 2]"
1 80 ILE 10.603 0.355 15 0 "[ . 1 . 2]"
1 82 PRO 0.589 0.106 12 0 "[ . 1 . 2]"
1 83 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 GLU 0.019 0.017 18 0 "[ . 1 . 2]"
1 86 ILE 0.770 0.066 5 0 "[ . 1 . 2]"
1 87 MET 0.779 0.087 13 0 "[ . 1 . 2]"
1 89 ILE 0.174 0.043 5 0 "[ . 1 . 2]"
1 90 LEU 0.443 0.053 14 0 "[ . 1 . 2]"
1 100 MET 0.299 0.089 15 0 "[ . 1 . 2]"
1 103 ILE 3.281 0.177 1 0 "[ . 1 . 2]"
1 104 VAL 7.419 0.327 10 0 "[ . 1 . 2]"
1 105 LEU 7.507 0.331 1 0 "[ . 1 . 2]"
1 106 LYS 1.144 0.142 19 0 "[ . 1 . 2]"
1 107 THR 5.281 0.233 2 0 "[ . 1 . 2]"
1 108 GLN 1.768 0.142 8 0 "[ . 1 . 2]"
1 109 GLN 1.180 0.171 2 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 9 THR HA 1 27 THR MG 3.000 . 3.500 3.534 3.435 3.588 0.088 18 0 "[ . 1 . 2]" 4
2 1 9 THR HB 1 27 THR MG 3.000 . 3.500 2.282 1.902 2.631 . 0 0 "[ . 1 . 2]" 4
3 1 9 THR HA 1 28 ILE H 3.500 . 4.000 3.882 3.609 4.030 0.030 17 0 "[ . 1 . 2]" 4
4 1 9 THR HA 1 29 ASN H 3.500 . 4.000 4.097 4.029 4.173 0.173 18 0 "[ . 1 . 2]" 4
5 1 9 THR HA 1 29 ASN HA 2.500 . 3.000 2.157 1.863 2.277 . 0 0 "[ . 1 . 2]" 4
6 1 9 THR HA 1 29 ASN QB 3.000 . 3.500 3.517 3.280 3.598 0.098 9 0 "[ . 1 . 2]" 4
7 1 9 THR HB 1 29 ASN HA 3.500 . 4.000 4.049 3.999 4.115 0.115 8 0 "[ . 1 . 2]" 4
8 1 9 THR MG 1 29 ASN HA 3.000 . 3.500 2.338 2.168 2.537 . 0 0 "[ . 1 . 2]" 4
9 1 9 THR MG 1 29 ASN QB 4.500 . 5.500 2.047 1.775 2.521 0.025 4 0 "[ . 1 . 2]" 4
10 1 10 HIS HA 1 27 THR MG 4.000 . 5.000 3.594 3.242 3.999 . 0 0 "[ . 1 . 2]" 4
11 1 10 HIS H 1 28 ILE H 4.000 . 5.000 2.998 2.621 3.323 . 0 0 "[ . 1 . 2]" 4
12 1 10 HIS H 1 28 ILE QG 4.000 . 5.000 1.768 1.689 2.002 0.111 11 0 "[ . 1 . 2]" 4
13 1 10 HIS H 1 28 ILE MG 4.500 . 5.500 3.850 3.715 4.032 . 0 0 "[ . 1 . 2]" 4
14 1 10 HIS HA 1 28 ILE MG 4.000 . 5.000 5.080 5.027 5.143 0.143 14 0 "[ . 1 . 2]" 4
15 1 10 HIS HB3 1 28 ILE MG 4.500 . 5.500 4.699 4.538 4.946 . 0 0 "[ . 1 . 2]" 4
16 1 10 HIS HB2 1 28 ILE MG 4.500 . 5.500 3.895 3.662 4.238 . 0 0 "[ . 1 . 2]" 4
17 1 10 HIS HB3 1 28 ILE MD 4.500 . 5.500 3.824 3.419 4.469 . 0 0 "[ . 1 . 2]" 4
18 1 10 HIS HB2 1 28 ILE MD 4.500 . 5.500 2.409 1.976 3.006 . 0 0 "[ . 1 . 2]" 4
19 1 10 HIS H 1 29 ASN HA 4.000 . 5.000 3.787 3.384 3.972 . 0 0 "[ . 1 . 2]" 4
20 1 10 HIS HD2 1 29 ASN HA 4.500 . 5.500 5.094 4.481 5.520 0.020 10 0 "[ . 1 . 2]" 4
21 1 10 HIS HA 1 87 MET ME 4.500 . 5.500 4.923 4.527 5.450 . 0 0 "[ . 1 . 2]" 4
22 1 10 HIS HB3 1 87 MET ME 4.500 . 5.500 3.065 2.599 3.645 . 0 0 "[ . 1 . 2]" 4
23 1 10 HIS HB2 1 87 MET ME 4.500 . 5.500 2.527 2.036 3.123 . 0 0 "[ . 1 . 2]" 4
24 1 10 HIS HD2 1 87 MET ME 4.500 . 5.500 3.830 2.547 4.886 . 0 0 "[ . 1 . 2]" 4
25 1 10 HIS HE1 1 87 MET ME 4.500 . 5.500 5.176 4.652 5.524 0.024 5 0 "[ . 1 . 2]" 4
26 1 11 ARG H 1 25 VAL MG1 4.500 . 5.500 4.413 4.249 4.580 . 0 0 "[ . 1 . 2]" 4
27 1 11 ARG HA 1 25 VAL MG1 3.500 . 4.000 3.287 3.140 3.463 . 0 0 "[ . 1 . 2]" 4
28 1 11 ARG QD 1 25 VAL MG1 4.000 . 5.000 3.156 2.871 3.457 . 0 0 "[ . 1 . 2]" 4
29 1 11 ARG HA 1 27 THR HA 2.500 . 3.000 1.897 1.776 2.091 0.024 13 0 "[ . 1 . 2]" 4
30 1 11 ARG HA 1 27 THR HB 4.000 . 5.000 4.820 4.694 5.024 0.024 20 0 "[ . 1 . 2]" 4
31 1 11 ARG HA 1 27 THR MG 4.000 . 5.000 3.010 2.876 3.199 . 0 0 "[ . 1 . 2]" 4
32 1 11 ARG QB 1 27 THR HA 3.000 . 3.500 3.319 3.168 3.470 . 0 0 "[ . 1 . 2]" 4
33 1 11 ARG QD 1 27 THR HA 4.000 . 5.000 3.428 3.047 3.630 . 0 0 "[ . 1 . 2]" 4
34 1 11 ARG QD 1 27 THR MG 4.500 . 5.500 2.562 2.211 2.752 . 0 0 "[ . 1 . 2]" 4
35 1 11 ARG HG3 1 27 THR MG 3.500 . 4.000 2.678 2.588 2.767 . 0 0 "[ . 1 . 2]" 4
36 1 11 ARG HG2 1 27 THR MG 3.500 . 4.000 4.070 4.034 4.102 0.102 13 0 "[ . 1 . 2]" 4
37 1 11 ARG HA 1 28 ILE H 4.000 . 5.000 3.008 2.843 3.123 . 0 0 "[ . 1 . 2]" 4
38 1 11 ARG HG2 1 41 ILE MD 4.500 . 5.500 5.621 5.563 5.679 0.179 19 0 "[ . 1 . 2]" 4
39 1 11 ARG HG3 1 41 ILE MD 4.500 . 5.500 5.694 5.624 5.753 0.253 5 0 "[ . 1 . 2]" 4
40 1 12 VAL H 1 25 VAL HA 3.500 . 4.000 4.089 4.041 4.120 0.120 13 0 "[ . 1 . 2]" 4
41 1 12 VAL H 1 25 VAL MG1 3.500 . 4.000 2.448 2.327 2.626 . 0 0 "[ . 1 . 2]" 4
42 1 12 VAL QG 1 26 PHE H 4.000 . 5.000 3.020 2.893 3.116 . 0 0 "[ . 1 . 2]" 4
43 1 12 VAL QG 1 26 PHE HA 4.500 2.300 5.500 4.821 4.753 4.890 . 0 0 "[ . 1 . 2]" 4
44 1 12 VAL MG1 1 26 PHE HB3 4.000 . 5.000 4.744 4.600 4.868 . 0 0 "[ . 1 . 2]" 4
45 1 12 VAL MG1 1 26 PHE HB2 4.000 . 5.000 3.482 3.369 3.617 . 0 0 "[ . 1 . 2]" 4
46 1 12 VAL MG1 1 26 PHE QD 3.500 . 4.000 3.904 3.684 4.055 0.055 5 0 "[ . 1 . 2]" 4
47 1 12 VAL H 1 27 THR HA 4.000 . 5.000 3.597 3.469 3.693 . 0 0 "[ . 1 . 2]" 4
48 1 12 VAL H 1 28 ILE H 4.000 . 5.000 4.652 4.442 4.791 . 0 0 "[ . 1 . 2]" 4
49 1 12 VAL H 1 28 ILE QG 4.500 . 5.500 5.290 5.012 5.496 . 0 0 "[ . 1 . 2]" 4
50 1 12 VAL MG1 1 28 ILE HA 4.000 . 5.000 5.028 4.945 5.090 0.090 19 0 "[ . 1 . 2]" 4
51 1 12 VAL MG1 1 37 LEU MD1 3.000 . 3.500 2.089 1.836 2.246 . 0 0 "[ . 1 . 2]" 4
52 1 12 VAL HB 1 87 MET ME 3.500 . 4.000 4.023 3.748 4.087 0.087 13 0 "[ . 1 . 2]" 4
53 1 12 VAL QG 1 87 MET ME 4.500 . 5.500 4.019 3.870 4.101 . 0 0 "[ . 1 . 2]" 4
54 1 12 VAL HA 1 90 LEU MD1 4.000 . 5.000 4.357 3.743 5.047 0.047 11 0 "[ . 1 . 2]" 4
55 1 12 VAL HA 1 90 LEU MD2 4.000 . 5.000 4.917 4.589 5.053 0.053 14 0 "[ . 1 . 2]" 4
56 1 12 VAL QG 1 90 LEU MD1 4.000 . 5.200 3.095 2.325 3.930 . 0 0 "[ . 1 . 2]" 4
57 1 12 VAL QG 1 90 LEU MD2 4.000 . 5.000 3.436 2.771 3.884 . 0 0 "[ . 1 . 2]" 4
58 1 13 THR MG 1 23 PHE HA 3.500 . 4.000 4.049 4.005 4.115 0.115 4 0 "[ . 1 . 2]" 4
59 1 13 THR MG 1 23 PHE HB3 3.500 . 4.000 3.733 3.241 4.002 0.002 7 0 "[ . 1 . 2]" 4
60 1 13 THR MG 1 23 PHE HB2 4.000 . 5.000 2.380 2.061 2.602 . 0 0 "[ . 1 . 2]" 4
61 1 13 THR MG 1 23 PHE QD 4.000 . 5.000 2.217 1.908 2.657 . 0 0 "[ . 1 . 2]" 4
62 1 13 THR HA 1 25 VAL H 4.000 . 5.000 4.117 3.954 4.246 . 0 0 "[ . 1 . 2]" 4
63 1 13 THR HA 1 25 VAL HA 2.500 . 3.000 1.966 1.917 2.016 . 0 0 "[ . 1 . 2]" 4
64 1 13 THR HA 1 25 VAL HB 3.000 . 3.500 3.830 3.802 3.859 0.359 1 0 "[ . 1 . 2]" 4
65 1 13 THR HA 1 25 VAL MG1 3.000 . 3.500 2.055 1.961 2.169 . 0 0 "[ . 1 . 2]" 4
66 1 13 THR HA 1 25 VAL MG2 3.500 . 4.000 1.857 1.799 1.909 0.001 20 0 "[ . 1 . 2]" 4
67 1 13 THR HB 1 25 VAL HA 4.000 . 5.000 5.003 4.954 5.048 0.048 14 0 "[ . 1 . 2]" 4
68 1 13 THR MG 1 25 VAL HA 3.000 . 3.500 3.554 3.518 3.594 0.094 14 0 "[ . 1 . 2]" 4
69 1 14 VAL HA 1 24 THR H 4.000 . 5.000 4.894 4.729 5.014 0.014 13 0 "[ . 1 . 2]" 4
70 1 14 VAL H 1 24 THR H 4.000 . 5.000 3.185 2.966 3.445 . 0 0 "[ . 1 . 2]" 4
71 1 14 VAL MG1 1 26 PHE QD 3.500 . 4.000 4.082 4.027 4.116 0.116 19 0 "[ . 1 . 2]" 4
72 1 14 VAL HA 1 103 ILE HB 3.000 . 3.500 2.844 2.213 3.257 . 0 0 "[ . 1 . 2]" 4
73 1 14 VAL MG1 1 103 ILE HB 3.500 . 4.000 3.839 3.332 4.030 0.030 4 0 "[ . 1 . 2]" 4
74 1 15 HIS HA 1 23 PHE H 4.000 . 5.000 4.910 4.447 5.070 0.070 13 0 "[ . 1 . 2]" 4
75 1 15 HIS HA 1 23 PHE HA 3.000 . 3.500 2.438 1.949 2.664 . 0 0 "[ . 1 . 2]" 4
76 1 15 HIS HA 1 23 PHE HB3 3.000 . 3.500 2.631 2.319 3.000 . 0 0 "[ . 1 . 2]" 4
77 1 15 HIS HA 1 23 PHE HB2 3.000 . 3.500 3.058 2.715 3.384 . 0 0 "[ . 1 . 2]" 4
78 1 15 HIS HA 1 24 THR H 3.500 . 4.000 3.867 3.513 4.030 0.030 10 0 "[ . 1 . 2]" 4
79 1 15 HIS HB3 1 104 VAL HA 3.500 . 4.000 3.674 3.227 4.062 0.062 12 0 "[ . 1 . 2]" 4
80 1 15 HIS HB2 1 104 VAL HA 3.500 . 4.000 3.217 2.556 4.109 0.109 16 0 "[ . 1 . 2]" 4
81 1 15 HIS HB3 1 104 VAL MG1 4.000 . 5.000 3.301 2.356 5.188 0.188 10 0 "[ . 1 . 2]" 4
82 1 15 HIS HB3 1 104 VAL MG2 4.000 . 5.000 4.706 2.887 5.193 0.193 18 0 "[ . 1 . 2]" 4
83 1 15 HIS HB2 1 104 VAL MG1 4.000 . 5.000 3.559 2.500 5.012 0.012 1 0 "[ . 1 . 2]" 4
84 1 15 HIS HB2 1 104 VAL MG2 4.500 . 5.500 4.538 3.075 5.520 0.020 14 0 "[ . 1 . 2]" 4
85 1 16 GLY H 1 23 PHE HA 4.000 . 5.000 4.938 4.364 5.092 0.092 9 0 "[ . 1 . 2]" 4
86 1 16 GLY H 1 103 ILE HB 4.000 . 5.000 5.074 5.013 5.177 0.177 1 0 "[ . 1 . 2]" 4
87 1 16 GLY H 1 104 VAL QG 5.000 . 6.000 3.749 3.030 4.141 . 0 0 "[ . 1 . 2]" 4
88 1 16 GLY HA2 1 104 VAL MG2 4.000 . 5.000 4.410 2.925 4.764 . 0 0 "[ . 1 . 2]" 4
89 1 16 GLY HA3 1 104 VAL MG2 4.500 . 5.500 5.031 3.575 5.557 0.057 17 0 "[ . 1 . 2]" 4
90 1 16 GLY HA3 1 105 LEU H 4.000 . 5.000 3.339 2.811 3.717 . 0 0 "[ . 1 . 2]" 4
91 1 16 GLY H 1 105 LEU MD2 4.500 . 5.500 4.846 4.244 5.311 . 0 0 "[ . 1 . 2]" 4
92 1 17 VAL MG1 1 23 PHE HA 4.000 . 5.000 3.103 2.639 3.975 . 0 0 "[ . 1 . 2]" 4
93 1 17 VAL MG1 1 24 THR H 4.000 . 5.000 2.384 2.092 2.878 . 0 0 "[ . 1 . 2]" 4
94 1 17 VAL MG1 1 24 THR HB 3.500 . 4.000 3.669 3.417 4.010 0.010 18 0 "[ . 1 . 2]" 4
95 1 17 VAL MG2 1 24 THR HB 3.500 . 4.000 3.649 3.170 4.069 0.069 20 0 "[ . 1 . 2]" 4
96 1 17 VAL HB 1 24 THR MG 3.500 . 4.000 3.027 2.508 3.873 . 0 0 "[ . 1 . 2]" 4
97 1 17 VAL MG2 1 24 THR MG 4.000 . 5.000 2.078 1.785 2.370 0.015 18 0 "[ . 1 . 2]" 4
98 1 17 VAL MG1 1 41 ILE HA 4.500 . 5.000 4.809 3.958 5.046 0.046 20 0 "[ . 1 . 2]" 4
99 1 17 VAL H 1 105 LEU HB3 3.500 . 4.000 3.881 2.926 4.092 0.092 1 0 "[ . 1 . 2]" 4
100 1 17 VAL H 1 105 LEU QD 4.500 . 5.000 4.154 3.267 4.548 . 0 0 "[ . 1 . 2]" 4
101 1 17 VAL HA 1 105 LEU MD2 3.000 . 3.500 2.617 2.453 2.813 . 0 0 "[ . 1 . 2]" 4
102 1 17 VAL MG1 1 105 LEU MD2 4.000 . 5.000 3.622 2.798 4.057 . 0 0 "[ . 1 . 2]" 4
103 1 17 VAL MG2 1 105 LEU MD2 4.500 . 5.500 4.349 2.730 4.935 . 0 0 "[ . 1 . 2]" 4
104 1 18 PRO HD3 1 105 LEU MD2 4.000 . 5.000 2.679 1.843 4.011 . 0 0 "[ . 1 . 2]" 4
105 1 18 PRO HD2 1 105 LEU MD2 4.500 . 5.500 3.551 2.988 3.940 . 0 0 "[ . 1 . 2]" 4
106 1 18 PRO HG2 1 105 LEU MD2 4.500 . 5.500 4.941 4.249 5.628 0.128 13 0 "[ . 1 . 2]" 4
107 1 26 PHE HA 1 37 LEU MD1 4.500 . 5.500 5.565 5.503 5.613 0.113 9 0 "[ . 1 . 2]" 4
108 1 26 PHE HB3 1 37 LEU MD1 4.500 . 5.500 4.337 4.265 4.403 . 0 0 "[ . 1 . 2]" 4
109 1 26 PHE HB3 1 37 LEU MD2 4.500 . 5.500 5.570 5.505 5.701 0.201 5 0 "[ . 1 . 2]" 4
110 1 26 PHE HB2 1 37 LEU MD1 4.500 . 5.500 3.379 3.334 3.434 . 0 0 "[ . 1 . 2]" 4
111 1 26 PHE QD 1 37 LEU MD1 4.000 . 5.000 4.365 4.306 4.421 . 0 0 "[ . 1 . 2]" 4
112 1 26 PHE HB2 1 40 GLN HE21 4.000 . 5.000 3.674 3.621 3.731 . 0 0 "[ . 1 . 2]" 4
113 1 26 PHE HB2 1 40 GLN HE22 4.000 . 5.000 5.177 5.122 5.249 0.249 5 0 "[ . 1 . 2]" 4
114 1 26 PHE QD 1 40 GLN HE21 4.500 . 5.500 4.169 3.985 4.420 . 0 0 "[ . 1 . 2]" 4
115 1 26 PHE QD 1 40 GLN HE22 4.000 . 5.000 4.681 4.511 4.947 . 0 0 "[ . 1 . 2]" 4
116 1 26 PHE QD 1 41 ILE MD 4.000 . 5.000 1.986 1.758 2.304 0.042 18 0 "[ . 1 . 2]" 4
117 1 26 PHE QD 1 41 ILE HA 3.500 . 4.000 2.554 2.357 2.822 . 0 0 "[ . 1 . 2]" 4
118 1 27 THR H 1 40 GLN HE21 4.000 . 5.000 3.902 3.630 4.254 . 0 0 "[ . 1 . 2]" 4
119 1 27 THR H 1 40 GLN HE22 4.000 . 5.000 4.334 4.022 4.602 . 0 0 "[ . 1 . 2]" 4
120 1 28 ILE MG 1 37 LEU H 4.500 . 5.500 5.602 5.543 5.645 0.145 12 0 "[ . 1 . 2]" 4
121 1 28 ILE MG 1 37 LEU HA 4.000 . 5.000 3.839 3.497 3.973 . 0 0 "[ . 1 . 2]" 4
122 1 28 ILE MG 1 37 LEU MD1 3.000 . 3.500 1.906 1.792 2.208 0.008 18 0 "[ . 1 . 2]" 4
123 1 28 ILE HA 1 40 GLN HE21 4.000 . 5.000 4.427 3.751 4.902 . 0 0 "[ . 1 . 2]" 4
124 1 28 ILE MG 1 40 GLN HE21 4.000 . 5.000 4.436 3.917 4.532 . 0 0 "[ . 1 . 2]" 4
125 1 28 ILE MG 1 40 GLN HE22 4.500 . 5.500 5.536 4.921 5.646 0.146 18 0 "[ . 1 . 2]" 4
126 1 28 ILE MG 1 40 GLN HG3 4.500 . 5.500 2.917 2.085 3.292 . 0 0 "[ . 1 . 2]" 4
127 1 28 ILE MG 1 40 GLN HG2 4.500 . 5.500 4.265 3.501 4.630 . 0 0 "[ . 1 . 2]" 4
128 1 28 ILE MG 1 41 ILE MD 3.000 . 3.500 3.666 3.585 3.759 0.259 6 0 "[ . 1 . 2]" 4
129 1 32 THR MG 1 40 GLN QB 3.500 . 4.000 4.047 3.718 4.124 0.124 11 0 "[ . 1 . 2]" 4
130 1 32 THR MG 1 86 ILE MD 4.000 . 5.000 4.844 4.336 5.036 0.036 1 0 "[ . 1 . 2]" 4
131 1 33 LYS HA 1 85 GLU QB 3.000 . 3.500 2.672 2.249 3.151 . 0 0 "[ . 1 . 2]" 4
132 1 33 LYS HA 1 85 GLU HA 3.000 . 3.500 3.060 2.396 3.517 0.017 18 0 "[ . 1 . 2]" 4
133 1 33 LYS HA 1 86 ILE H 4.000 . 5.000 3.500 2.862 4.166 . 0 0 "[ . 1 . 2]" 4
134 1 34 ALA HA 1 57 LEU MD2 3.500 . 4.000 3.035 2.284 3.303 . 0 0 "[ . 1 . 2]" 4
135 1 34 ALA HA 1 57 LEU MD1 4.500 . 5.500 4.048 3.346 5.271 . 0 0 "[ . 1 . 2]" 4
136 1 34 ALA MB 1 57 LEU MD1 3.500 . 4.000 2.803 2.050 3.957 . 0 0 "[ . 1 . 2]" 4
137 1 34 ALA MB 1 57 LEU MD2 3.500 . 4.000 2.387 1.942 2.690 . 0 0 "[ . 1 . 2]" 4
138 1 34 ALA H 1 80 ILE MD 4.500 . 5.500 5.598 5.557 5.659 0.159 1 0 "[ . 1 . 2]" 4
139 1 34 ALA H 1 80 ILE MG 4.500 . 5.500 4.339 3.891 4.711 . 0 0 "[ . 1 . 2]" 4
140 1 34 ALA HA 1 80 ILE MG 4.000 . 5.000 3.856 3.438 4.258 . 0 0 "[ . 1 . 2]" 4
141 1 34 ALA MB 1 80 ILE HA 4.000 . 5.000 4.577 4.204 5.055 0.055 17 0 "[ . 1 . 2]" 4
142 1 34 ALA MB 1 80 ILE MG 3.500 . 4.000 1.919 1.770 2.101 0.030 1 0 "[ . 1 . 2]" 4
143 1 34 ALA MB 1 82 PRO HB2 4.000 . 5.000 4.966 4.604 5.106 0.106 12 0 "[ . 1 . 2]" 4
144 1 34 ALA MB 1 82 PRO HA 3.000 . 3.500 2.344 1.900 2.563 . 0 0 "[ . 1 . 2]" 4
145 1 34 ALA MB 1 83 GLU H 4.500 . 5.500 4.771 4.475 5.195 . 0 0 "[ . 1 . 2]" 4
146 1 34 ALA MB 1 84 GLU H 4.500 . 5.500 4.361 3.979 4.615 . 0 0 "[ . 1 . 2]" 4
147 1 34 ALA H 1 85 GLU HA 4.000 . 5.000 2.490 2.256 2.761 . 0 0 "[ . 1 . 2]" 4
148 1 34 ALA H 1 86 ILE MD 4.000 . 5.000 4.942 3.578 5.066 0.066 5 0 "[ . 1 . 2]" 4
149 1 34 ALA HA 1 86 ILE MD 3.500 . 4.000 3.253 2.757 3.600 . 0 0 "[ . 1 . 2]" 4
150 1 34 ALA HA 1 86 ILE MG 3.500 . 4.000 2.740 2.266 3.255 . 0 0 "[ . 1 . 2]" 4
151 1 34 ALA MB 1 86 ILE MD 4.000 . 5.000 3.977 3.538 4.425 . 0 0 "[ . 1 . 2]" 4
152 1 34 ALA MB 1 86 ILE HA 4.000 . 5.000 4.393 4.002 4.722 . 0 0 "[ . 1 . 2]" 4
153 1 35 LYS H 1 57 LEU MD2 4.500 . 5.500 5.523 5.029 5.638 0.138 13 0 "[ . 1 . 2]" 4
154 1 35 LYS HB3 1 82 PRO HA 3.000 . 3.500 2.944 2.467 3.507 0.007 10 0 "[ . 1 . 2]" 4
155 1 37 LEU HB2 1 86 ILE MD 4.000 . 5.000 3.051 2.688 3.284 . 0 0 "[ . 1 . 2]" 4
156 1 38 LEU MD1 1 52 THR HB 4.500 . 5.500 3.126 1.872 3.746 . 0 0 "[ . 1 . 2]" 4
157 1 38 LEU MD2 1 52 THR HB 4.500 . 5.500 5.239 4.253 5.537 0.037 13 0 "[ . 1 . 2]" 4
158 1 38 LEU MD1 1 55 TYR HB3 4.500 . 5.500 2.919 2.309 3.432 . 0 0 "[ . 1 . 2]" 4
159 1 38 LEU MD2 1 55 TYR HB3 4.000 . 5.000 2.571 2.128 3.297 . 0 0 "[ . 1 . 2]" 4
160 1 38 LEU MD1 1 55 TYR HB2 4.500 . 5.500 1.973 1.721 2.492 0.079 18 0 "[ . 1 . 2]" 4
161 1 38 LEU MD2 1 55 TYR HB2 4.500 . 5.500 2.969 2.272 3.991 . 0 0 "[ . 1 . 2]" 4
162 1 38 LEU MD1 1 55 TYR HA 4.500 . 5.500 4.407 4.103 4.907 . 0 0 "[ . 1 . 2]" 4
163 1 38 LEU MD1 1 55 TYR QD 4.000 . 5.000 3.056 2.495 3.864 . 0 0 "[ . 1 . 2]" 4
164 1 38 LEU MD2 1 55 TYR QD 4.000 . 5.000 3.611 2.844 4.293 . 0 0 "[ . 1 . 2]" 4
165 1 38 LEU QD 1 56 PHE H 4.500 . 5.500 3.965 3.503 4.302 . 0 0 "[ . 1 . 2]" 4
166 1 38 LEU MD1 1 56 PHE HA 4.000 . 5.000 3.813 3.177 4.272 . 0 0 "[ . 1 . 2]" 4
167 1 38 LEU MD2 1 56 PHE HA 4.000 . 5.000 3.828 2.964 4.274 . 0 0 "[ . 1 . 2]" 4
168 1 38 LEU MD1 1 56 PHE QB 4.500 . 5.500 4.744 4.095 5.173 . 0 0 "[ . 1 . 2]" 4
169 1 38 LEU MD2 1 56 PHE QB 4.500 . 5.500 5.146 4.398 5.519 0.019 6 0 "[ . 1 . 2]" 4
170 1 39 GLN HA 1 52 THR MG 4.000 . 5.000 3.198 2.290 3.602 . 0 0 "[ . 1 . 2]" 4
171 1 39 GLN HB2 1 52 THR MG 4.000 . 5.000 4.243 2.734 5.025 0.025 4 0 "[ . 1 . 2]" 4
172 1 39 GLN HG3 1 52 THR MG 4.500 . 5.500 3.712 3.114 4.061 . 0 0 "[ . 1 . 2]" 4
173 1 39 GLN HG2 1 52 THR MG 4.000 . 5.000 4.904 4.293 5.132 0.132 4 0 "[ . 1 . 2]" 4
174 1 42 LEU HB2 1 48 ILE MG 4.000 . 5.000 5.099 5.015 5.230 0.230 16 0 "[ . 1 . 2]" 4
175 1 42 LEU MD1 1 48 ILE MG 4.500 . 5.500 5.510 5.329 5.622 0.122 14 0 "[ . 1 . 2]" 4
176 1 42 LEU MD2 1 52 THR HB 4.000 . 5.000 3.977 2.736 5.042 0.042 15 0 "[ . 1 . 2]" 4
177 1 42 LEU MD2 1 55 TYR HB3 4.400 . 5.400 4.213 3.280 4.679 . 0 0 "[ . 1 . 2]" 4
178 1 42 LEU MD2 1 55 TYR QD 4.000 . 5.000 2.301 1.938 3.018 . 0 0 "[ . 1 . 2]" 4
179 1 42 LEU MD1 1 55 TYR QD 4.500 . 5.500 3.444 2.071 4.185 . 0 0 "[ . 1 . 2]" 4
180 1 42 LEU MD1 1 55 TYR QE 4.500 . 5.500 4.845 3.188 5.554 0.054 19 0 "[ . 1 . 2]" 4
181 1 42 LEU MD2 1 55 TYR QE 4.500 . 5.500 3.072 2.464 3.806 . 0 0 "[ . 1 . 2]" 4
182 1 43 THR HA 1 50 PRO HD2 3.000 . 3.500 3.627 3.531 3.741 0.241 14 0 "[ . 1 . 2]" 4
183 1 43 THR HA 1 50 PRO HD3 3.500 . 4.000 2.852 2.355 3.325 . 0 0 "[ . 1 . 2]" 4
184 1 43 THR HA 1 50 PRO QG 3.000 . 3.500 3.128 1.731 3.673 0.173 16 0 "[ . 1 . 2]" 4
185 1 44 ASN H 1 50 PRO QG 3.500 . 4.000 2.875 1.786 4.054 0.054 18 0 "[ . 1 . 2]" 4
186 1 53 THR MG 1 107 THR HB 4.000 . 5.000 4.941 4.626 5.140 0.140 9 0 "[ . 1 . 2]" 4
187 1 54 ASP HA 1 108 GLN HB3 4.000 . 5.000 4.080 2.973 5.090 0.090 16 0 "[ . 1 . 2]" 4
188 1 54 ASP HA 1 108 GLN HB2 4.000 . 5.000 3.296 2.421 3.899 . 0 0 "[ . 1 . 2]" 4
189 1 54 ASP HA 1 108 GLN QG 3.500 . 4.000 3.710 2.347 4.142 0.142 8 0 "[ . 1 . 2]" 4
190 1 55 TYR HA 1 105 LEU MD1 4.000 . 5.000 4.349 3.854 4.946 . 0 0 "[ . 1 . 2]" 4
191 1 55 TYR HB2 1 105 LEU MD1 4.500 . 5.500 3.791 3.385 4.285 . 0 0 "[ . 1 . 2]" 4
192 1 55 TYR HB3 1 105 LEU MD1 4.000 . 5.000 2.650 2.380 3.149 . 0 0 "[ . 1 . 2]" 4
193 1 55 TYR QD 1 105 LEU MD1 4.000 . 5.000 4.181 4.063 4.377 . 0 0 "[ . 1 . 2]" 4
194 1 55 TYR QD 1 105 LEU MD2 4.500 . 5.500 3.607 3.117 4.035 . 0 0 "[ . 1 . 2]" 4
195 1 55 TYR QE 1 105 LEU MD1 4.500 . 5.500 5.558 5.517 5.585 0.085 6 0 "[ . 1 . 2]" 4
196 1 55 TYR QE 1 105 LEU MD2 4.500 . 5.500 4.294 3.939 4.769 . 0 0 "[ . 1 . 2]" 4
197 1 55 TYR QD 1 106 LYS H 4.500 . 5.500 4.988 4.426 5.502 0.002 5 0 "[ . 1 . 2]" 4
198 1 55 TYR HA 1 107 THR HA 2.500 . 3.000 2.243 2.129 2.385 . 0 0 "[ . 1 . 2]" 4
199 1 55 TYR HA 1 107 THR HB 4.000 . 5.000 4.428 4.068 4.958 . 0 0 "[ . 1 . 2]" 4
200 1 55 TYR HB2 1 107 THR HA 4.000 . 5.000 5.122 5.014 5.233 0.233 2 0 "[ . 1 . 2]" 4
201 1 55 TYR HB3 1 107 THR HA 4.000 . 5.000 4.484 4.196 4.738 . 0 0 "[ . 1 . 2]" 4
202 1 55 TYR HA 1 107 THR MG 3.500 . 4.000 3.428 2.978 3.586 . 0 0 "[ . 1 . 2]" 4
203 1 55 TYR QD 1 107 THR HB 4.000 . 5.000 3.841 2.996 4.386 . 0 0 "[ . 1 . 2]" 4
204 1 55 TYR QD 1 107 THR HA 3.500 . 4.000 2.511 2.264 2.874 . 0 0 "[ . 1 . 2]" 4
205 1 55 TYR QD 1 107 THR MG 3.500 . 4.000 2.067 1.788 2.587 0.012 12 0 "[ . 1 . 2]" 4
206 1 55 TYR QE 1 107 THR MG 4.000 . 5.000 1.890 1.778 2.769 0.022 11 0 "[ . 1 . 2]" 4
207 1 55 TYR QE 1 107 THR HB 4.500 . 5.500 3.960 3.094 4.400 . 0 0 "[ . 1 . 2]" 4
208 1 55 TYR QE 1 107 THR HA 3.500 . 4.000 4.100 4.038 4.145 0.145 14 0 "[ . 1 . 2]" 4
209 1 55 TYR HA 1 108 GLN H 3.500 . 4.000 3.601 3.166 3.985 . 0 0 "[ . 1 . 2]" 4
210 1 56 PHE QD 1 79 ALA HA 3.500 . 4.000 3.671 3.213 4.021 0.021 10 0 "[ . 1 . 2]" 4
211 1 56 PHE QD 1 79 ALA MB 3.500 . 4.000 2.979 2.511 3.520 . 0 0 "[ . 1 . 2]" 4
212 1 56 PHE QD 1 80 ILE MD 4.500 . 5.500 5.626 5.573 5.726 0.226 15 0 "[ . 1 . 2]" 4
213 1 56 PHE H 1 105 LEU QD 4.500 . 5.500 3.274 2.866 3.943 . 0 0 "[ . 1 . 2]" 4
214 1 56 PHE HA 1 105 LEU MD1 4.000 . 5.000 3.430 3.107 4.098 . 0 0 "[ . 1 . 2]" 4
215 1 56 PHE QD 1 106 LYS QG 4.000 . 5.000 4.300 3.911 4.842 . 0 0 "[ . 1 . 2]" 4
216 1 56 PHE H 1 107 THR HA 3.500 . 4.000 3.473 3.247 3.707 . 0 0 "[ . 1 . 2]" 4
217 1 56 PHE H 1 108 GLN H 4.000 . 5.000 4.862 4.528 5.101 0.101 20 0 "[ . 1 . 2]" 4
218 1 56 PHE QE 1 108 GLN H 4.000 . 5.000 3.309 2.467 3.970 . 0 0 "[ . 1 . 2]" 4
219 1 56 PHE HZ 1 109 GLN H 4.000 . 5.000 5.009 4.291 5.171 0.171 2 0 "[ . 1 . 2]" 4
220 1 57 LEU HA 1 80 ILE HB 4.000 . 5.000 3.797 3.635 4.511 . 0 0 "[ . 1 . 2]" 4
221 1 57 LEU HB3 1 80 ILE HB 4.000 . 5.000 3.081 2.777 3.986 . 0 0 "[ . 1 . 2]" 4
222 1 57 LEU HB3 1 80 ILE MG 4.000 . 5.000 3.398 3.056 4.096 . 0 0 "[ . 1 . 2]" 4
223 1 57 LEU HB2 1 80 ILE MG 4.500 . 5.500 2.301 1.801 5.017 . 0 0 "[ . 1 . 2]" 4
224 1 57 LEU MD1 1 80 ILE HA 4.000 . 5.000 5.290 5.215 5.355 0.355 15 0 "[ . 1 . 2]" 4
225 1 57 LEU HA 1 103 ILE MG 3.500 . 4.000 3.108 2.893 3.585 . 0 0 "[ . 1 . 2]" 4
226 1 57 LEU HA 1 103 ILE MD 4.000 . 5.000 5.062 5.011 5.130 0.130 17 0 "[ . 1 . 2]" 4
227 1 57 LEU HA 1 105 LEU MD1 4.500 . 5.500 2.711 2.244 3.260 . 0 0 "[ . 1 . 2]" 4
228 1 57 LEU MD1 1 105 LEU HA . . 3.500 3.754 3.672 3.831 0.331 1 0 "[ . 1 . 2]" 4
229 1 57 LEU HA 1 105 LEU HA 3.500 . 4.000 2.457 2.124 2.922 . 0 0 "[ . 1 . 2]" 4
230 1 57 LEU HA 1 106 LYS H 4.000 . 5.000 3.095 2.866 3.516 . 0 0 "[ . 1 . 2]" 4
231 1 58 MET HA 1 79 ALA HA 3.000 . 3.500 2.627 2.169 3.080 . 0 0 "[ . 1 . 2]" 4
232 1 58 MET HA 1 79 ALA MB 4.000 . 5.000 4.185 3.786 4.642 . 0 0 "[ . 1 . 2]" 4
233 1 58 MET ME 1 79 ALA MB 4.000 . 5.000 3.796 3.067 4.019 . 0 0 "[ . 1 . 2]" 4
234 1 58 MET ME 1 79 ALA HA 3.000 . 3.500 3.679 3.199 3.797 0.297 8 0 "[ . 1 . 2]" 4
235 1 58 MET HA 1 80 ILE H 4.000 . 5.000 2.435 1.778 3.122 0.022 17 0 "[ . 1 . 2]" 4
236 1 58 MET HA 1 80 ILE HG12 3.000 . 3.500 2.721 2.025 3.516 0.016 1 0 "[ . 1 . 2]" 4
237 1 58 MET HA 1 80 ILE MD 4.000 . 5.000 3.840 2.692 4.290 . 0 0 "[ . 1 . 2]" 4
238 1 58 MET HA 1 80 ILE MG 4.000 . 5.000 4.684 4.069 5.040 0.040 12 0 "[ . 1 . 2]" 4
239 1 58 MET H 1 103 ILE MD 4.000 . 5.000 4.351 3.870 4.725 . 0 0 "[ . 1 . 2]" 4
240 1 58 MET H 1 103 ILE MG 4.000 . 5.000 2.267 1.820 2.867 . 0 0 "[ . 1 . 2]" 4
241 1 58 MET HA 1 103 ILE MG 4.000 . 5.000 4.369 4.032 4.900 . 0 0 "[ . 1 . 2]" 4
242 1 58 MET HG3 1 104 VAL HB 4.000 . 5.000 4.966 4.292 5.089 0.089 16 0 "[ . 1 . 2]" 4
243 1 58 MET ME 1 104 VAL MG1 4.000 . 5.000 3.895 1.700 4.601 0.100 10 0 "[ . 1 . 2]" 4
244 1 58 MET ME 1 104 VAL MG2 4.000 . 5.000 2.537 1.828 3.989 . 0 0 "[ . 1 . 2]" 4
245 1 58 MET ME 1 104 VAL HB 3.000 . 3.500 3.717 3.632 3.827 0.327 10 0 "[ . 1 . 2]" 4
246 1 58 MET H 1 105 LEU HA 4.000 . 5.000 4.112 3.487 4.775 . 0 0 "[ . 1 . 2]" 4
247 1 58 MET H 1 106 LYS H 4.000 . 5.000 4.564 4.321 4.917 . 0 0 "[ . 1 . 2]" 4
248 1 58 MET HB3 1 106 LYS QG 3.500 . 4.000 3.613 2.252 4.110 0.110 10 0 "[ . 1 . 2]" 4
249 1 58 MET HB2 1 106 LYS QG 3.500 . 4.000 3.060 1.912 4.073 0.073 20 0 "[ . 1 . 2]" 4
250 1 58 MET ME 1 106 LYS HB3 4.500 . 5.500 4.243 3.250 5.454 . 0 0 "[ . 1 . 2]" 4
251 1 58 MET ME 1 106 LYS QG 3.500 . 4.000 2.158 1.658 3.231 0.142 19 0 "[ . 1 . 2]" 4
252 1 58 MET ME 1 106 LYS QD 3.500 . 4.000 3.118 2.180 4.047 0.047 1 0 "[ . 1 . 2]" 4
253 1 58 MET ME 1 106 LYS HE3 4.500 . 5.500 2.514 1.751 4.291 0.049 9 0 "[ . 1 . 2]" 4
254 1 58 MET ME 1 106 LYS HE2 4.500 . 5.500 3.039 2.451 4.467 . 0 0 "[ . 1 . 2]" 4
255 1 59 GLU H 1 78 ARG H 4.000 . 5.000 3.503 2.901 4.043 . 0 0 "[ . 1 . 2]" 4
256 1 59 GLU H 1 79 ALA HA 4.000 . 5.000 3.802 3.373 4.639 . 0 0 "[ . 1 . 2]" 4
257 1 59 GLU H 1 80 ILE H 4.000 . 5.000 4.310 3.468 4.911 . 0 0 "[ . 1 . 2]" 4
258 1 59 GLU HA 1 104 VAL QG 4.500 . 5.500 4.037 3.491 4.922 . 0 0 "[ . 1 . 2]" 4
259 1 60 GLU H 1 103 ILE HA 3.500 . 4.000 3.791 3.276 4.099 0.099 7 0 "[ . 1 . 2]" 4
260 1 61 LYS HA 1 100 MET ME 4.500 . 5.500 4.821 3.392 5.589 0.089 15 0 "[ . 1 . 2]" 4
261 1 64 ILE HG13 1 100 MET ME 4.500 . 5.500 3.690 2.115 5.258 . 0 0 "[ . 1 . 2]" 4
262 1 64 ILE HG12 1 100 MET ME 4.500 . 5.500 3.706 2.232 5.510 0.010 11 0 "[ . 1 . 2]" 4
263 1 64 ILE MD 1 100 MET HB3 4.000 . 5.000 3.912 2.445 5.024 0.024 12 0 "[ . 1 . 2]" 4
264 1 64 ILE MD 1 100 MET ME 4.500 . 5.500 3.253 1.944 5.515 0.015 11 0 "[ . 1 . 2]" 4
265 1 64 ILE MD 1 100 MET QG 4.500 . 5.500 3.635 2.162 5.504 0.004 14 0 "[ . 1 . 2]" 4
266 1 80 ILE HA 1 89 ILE MD 4.500 . 5.500 5.106 4.242 5.543 0.043 5 0 "[ . 1 . 2]" 4
267 1 86 ILE HA 1 103 ILE MD 4.500 . 5.500 4.440 3.999 4.809 . 0 0 "[ . 1 . 2]" 4
268 1 86 ILE MD 1 103 ILE MD 3.500 . 4.000 3.646 2.591 4.040 0.040 12 0 "[ . 1 . 2]" 4
269 1 86 ILE MG 1 103 ILE MD 3.500 . 4.000 2.764 2.121 3.305 . 0 0 "[ . 1 . 2]" 4
270 1 89 ILE MG 1 103 ILE HG13 4.500 . 5.500 5.201 4.597 5.525 0.025 9 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 40
_Distance_constraint_stats_list.Viol_count 332
_Distance_constraint_stats_list.Viol_total 328.632
_Distance_constraint_stats_list.Viol_max 0.187
_Distance_constraint_stats_list.Viol_rms 0.0350
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0205
_Distance_constraint_stats_list.Viol_average_violations_only 0.0495
_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 HIS 0.889 0.085 20 0 "[ . 1 . 2]"
1 12 VAL 0.294 0.048 10 0 "[ . 1 . 2]"
1 14 VAL 0.775 0.065 5 0 "[ . 1 . 2]"
1 15 HIS 0.349 0.083 10 0 "[ . 1 . 2]"
1 24 THR 0.775 0.065 5 0 "[ . 1 . 2]"
1 26 PHE 0.294 0.048 10 0 "[ . 1 . 2]"
1 28 ILE 0.889 0.085 20 0 "[ . 1 . 2]"
1 34 ALA 1.095 0.100 9 0 "[ . 1 . 2]"
1 35 LYS 0.688 0.068 7 0 "[ . 1 . 2]"
1 36 GLN 1.032 0.110 17 0 "[ . 1 . 2]"
1 37 LEU 0.430 0.065 2 0 "[ . 1 . 2]"
1 38 LEU 1.854 0.108 9 0 "[ . 1 . 2]"
1 39 GLN 2.913 0.187 3 0 "[ . 1 . 2]"
1 40 GLN 1.032 0.110 17 0 "[ . 1 . 2]"
1 41 ILE 0.430 0.065 2 0 "[ . 1 . 2]"
1 42 LEU 0.760 0.108 9 0 "[ . 1 . 2]"
1 43 THR 2.225 0.187 3 0 "[ . 1 . 2]"
1 54 ASP 0.683 0.079 18 0 "[ . 1 . 2]"
1 56 PHE 2.184 0.131 4 0 "[ . 1 . 2]"
1 57 LEU 2.665 0.169 4 0 "[ . 1 . 2]"
1 58 MET 0.385 0.120 15 0 "[ . 1 . 2]"
1 80 ILE 2.665 0.169 4 0 "[ . 1 . 2]"
1 85 GLU 1.412 0.153 9 0 "[ . 1 . 2]"
1 86 ILE 0.072 0.037 6 0 "[ . 1 . 2]"
1 87 MET 0.494 0.062 16 0 "[ . 1 . 2]"
1 89 ILE 1.412 0.153 9 0 "[ . 1 . 2]"
1 90 LEU 0.072 0.037 6 0 "[ . 1 . 2]"
1 91 SER 0.494 0.062 16 0 "[ . 1 . 2]"
1 103 ILE 0.349 0.083 10 0 "[ . 1 . 2]"
1 104 VAL 0.385 0.120 15 0 "[ . 1 . 2]"
1 106 LYS 2.184 0.131 4 0 "[ . 1 . 2]"
1 108 GLN 0.683 0.079 18 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 34 ALA O 1 38 LEU H 1.800 . 2.300 1.880 1.827 1.937 . 0 0 "[ . 1 . 2]" 5
2 1 34 ALA O 1 38 LEU N 2.800 2.800 3.300 2.745 2.700 2.789 0.100 9 0 "[ . 1 . 2]" 5
3 1 35 LYS O 1 39 GLN H 1.800 . 2.300 2.323 2.203 2.368 0.068 7 0 "[ . 1 . 2]" 5
4 1 35 LYS O 1 39 GLN N 2.800 2.800 3.300 3.266 3.141 3.313 0.013 11 0 "[ . 1 . 2]" 5
5 1 36 GLN O 1 40 GLN H 1.800 . 2.300 2.348 2.275 2.410 0.110 17 0 "[ . 1 . 2]" 5
6 1 36 GLN O 1 40 GLN N 2.800 2.800 3.300 3.236 3.114 3.333 0.033 17 0 "[ . 1 . 2]" 5
7 1 37 LEU O 1 41 ILE H 1.800 . 2.300 1.938 1.852 2.076 . 0 0 "[ . 1 . 2]" 5
8 1 37 LEU O 1 41 ILE N 2.800 2.800 3.300 2.805 2.735 2.919 0.065 2 0 "[ . 1 . 2]" 5
9 1 38 LEU O 1 42 LEU H 1.800 . 2.300 1.969 1.789 2.305 0.011 13 0 "[ . 1 . 2]" 5
10 1 38 LEU O 1 42 LEU N 2.800 2.800 3.300 2.774 2.692 2.882 0.108 9 0 "[ . 1 . 2]" 5
11 1 39 GLN O 1 43 THR H 1.800 . 2.300 1.990 1.775 2.320 0.025 6 0 "[ . 1 . 2]" 5
12 1 39 GLN O 1 43 THR N 2.800 2.800 3.300 2.693 2.613 2.757 0.187 3 0 "[ . 1 . 2]" 5
13 1 85 GLU O 1 89 ILE H 1.800 . 2.300 2.365 2.305 2.453 0.153 9 0 "[ . 1 . 2]" 5
14 1 85 GLU O 1 89 ILE N 2.800 2.800 3.300 3.257 3.191 3.358 0.058 9 0 "[ . 1 . 2]" 5
15 1 86 ILE O 1 90 LEU H 1.800 . 2.300 1.915 1.815 2.107 . 0 0 "[ . 1 . 2]" 5
16 1 86 ILE O 1 90 LEU N 2.800 2.800 3.300 2.868 2.763 3.052 0.037 6 0 "[ . 1 . 2]" 5
17 1 87 MET O 1 91 SER H 1.800 . 2.300 2.312 2.180 2.362 0.062 16 0 "[ . 1 . 2]" 5
18 1 87 MET O 1 91 SER N 2.800 2.800 3.300 3.113 2.991 3.201 . 0 0 "[ . 1 . 2]" 5
19 1 10 HIS O 1 28 ILE H 1.800 . 2.300 1.858 1.799 1.963 0.001 20 0 "[ . 1 . 2]" 5
20 1 10 HIS O 1 28 ILE N 2.800 2.800 3.300 2.758 2.715 2.851 0.085 20 0 "[ . 1 . 2]" 5
21 1 12 VAL H 1 26 PHE O 1.800 . 2.300 2.031 1.932 2.172 . 0 0 "[ . 1 . 2]" 5
22 1 12 VAL N 1 26 PHE O 2.800 2.800 3.300 2.973 2.892 3.112 . 0 0 "[ . 1 . 2]" 5
23 1 12 VAL O 1 26 PHE H 1.800 . 2.300 2.301 2.187 2.348 0.048 10 0 "[ . 1 . 2]" 5
24 1 12 VAL O 1 26 PHE N 2.800 2.800 3.300 3.200 3.106 3.248 . 0 0 "[ . 1 . 2]" 5
25 1 14 VAL H 1 24 THR O 1.800 . 2.300 1.829 1.790 1.884 0.010 5 0 "[ . 1 . 2]" 5
26 1 14 VAL N 1 24 THR O 2.800 2.800 3.300 2.765 2.735 2.794 0.065 5 0 "[ . 1 . 2]" 5
27 1 14 VAL O 1 24 THR H 1.800 . 2.300 2.043 1.830 2.154 . 0 0 "[ . 1 . 2]" 5
28 1 14 VAL O 1 24 THR N 2.800 2.800 3.300 2.935 2.771 3.050 0.029 9 0 "[ . 1 . 2]" 5
29 1 54 ASP O 1 108 GLN H 1.800 . 2.300 2.229 1.901 2.379 0.079 18 0 "[ . 1 . 2]" 5
30 1 54 ASP O 1 108 GLN N 2.800 2.800 3.300 2.860 2.755 3.086 0.045 7 0 "[ . 1 . 2]" 5
31 1 56 PHE O 1 106 LYS H 1.800 . 2.300 1.811 1.760 2.118 0.040 20 0 "[ . 1 . 2]" 5
32 1 56 PHE O 1 106 LYS N 2.800 2.800 3.300 2.718 2.669 2.987 0.131 4 0 "[ . 1 . 2]" 5
33 1 56 PHE H 1 106 LYS O 1.800 . 2.300 2.205 2.010 2.339 0.039 2 0 "[ . 1 . 2]" 5
34 1 56 PHE N 1 106 LYS O 2.800 2.800 3.300 3.139 2.967 3.262 . 0 0 "[ . 1 . 2]" 5
35 1 58 MET O 1 104 VAL H 1.800 . 2.300 1.996 1.797 2.420 0.120 15 0 "[ . 1 . 2]" 5
36 1 58 MET O 1 104 VAL N 2.800 2.800 3.300 2.904 2.747 3.298 0.053 7 0 "[ . 1 . 2]" 5
37 1 57 LEU O 1 80 ILE H 1.800 . 2.300 1.813 1.733 2.122 0.067 4 0 "[ . 1 . 2]" 5
38 1 57 LEU O 1 80 ILE N 2.800 2.800 3.300 2.694 2.631 2.787 0.169 4 0 "[ . 1 . 2]" 5
39 1 15 HIS H 1 103 ILE O 1.800 . 2.300 1.941 1.795 2.222 0.005 10 0 "[ . 1 . 2]" 5
40 1 15 HIS N 1 103 ILE O 2.800 2.800 3.300 2.822 2.717 3.109 0.083 10 0 "[ . 1 . 2]" 5
stop_
save_
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