NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
447288 |
2kpi   |
16556 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kpi
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 339
_Distance_constraint_stats_list.Viol_count 172
_Distance_constraint_stats_list.Viol_total 298.163
_Distance_constraint_stats_list.Viol_max 0.422
_Distance_constraint_stats_list.Viol_rms 0.0184
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0022
_Distance_constraint_stats_list.Viol_average_violations_only 0.0867
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 11 LEU 0.272 0.229 6 0 "[ . 1 . 2]"
1 12 ALA 0.558 0.174 12 0 "[ . 1 . 2]"
1 13 CYS 0.857 0.422 2 0 "[ . 1 . 2]"
1 14 PRO 0.910 0.102 19 0 "[ . 1 . 2]"
1 15 ALA 0.541 0.174 4 0 "[ . 1 . 2]"
1 16 CYS 0.213 0.174 4 0 "[ . 1 . 2]"
1 17 HIS 1.164 0.422 2 0 "[ . 1 . 2]"
1 18 ALA 2.069 0.210 16 0 "[ . 1 . 2]"
1 19 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 LEU 1.999 0.229 6 0 "[ . 1 . 2]"
1 21 GLU 1.201 0.155 17 0 "[ . 1 . 2]"
1 22 GLU 0.185 0.071 12 0 "[ . 1 . 2]"
1 23 ARG 0.026 0.026 18 0 "[ . 1 . 2]"
1 24 ASP 0.218 0.083 3 0 "[ . 1 . 2]"
1 25 ALA 0.218 0.083 3 0 "[ . 1 . 2]"
1 26 GLU 0.642 0.161 10 0 "[ . 1 . 2]"
1 27 LEU 0.559 0.104 11 0 "[ . 1 . 2]"
1 28 ILE 0.566 0.161 10 0 "[ . 1 . 2]"
1 29 CYS 0.453 0.196 18 0 "[ . 1 . 2]"
1 30 THR 4.382 0.345 12 0 "[ . 1 . 2]"
1 31 GLY 4.373 0.345 12 0 "[ . 1 . 2]"
1 32 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 CYS 0.002 0.002 17 0 "[ . 1 . 2]"
1 35 GLY 1.073 0.153 15 0 "[ . 1 . 2]"
1 36 LEU 1.866 0.322 12 0 "[ . 1 . 2]"
1 37 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 VAL 0.398 0.224 8 0 "[ . 1 . 2]"
1 41 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 ILE 0.027 0.027 8 0 "[ . 1 . 2]"
1 45 PRO 0.106 0.028 2 0 "[ . 1 . 2]"
1 46 VAL 0.312 0.224 8 0 "[ . 1 . 2]"
1 47 LEU 0.754 0.145 3 0 "[ . 1 . 2]"
1 48 LEU 0.648 0.154 20 0 "[ . 1 . 2]"
1 49 VAL 1.466 0.166 13 0 "[ . 1 . 2]"
1 50 ASP 0.308 0.166 13 0 "[ . 1 . 2]"
1 51 GLU 0.473 0.154 20 0 "[ . 1 . 2]"
1 52 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 ARG 0.207 0.069 14 0 "[ . 1 . 2]"
1 55 PRO 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 11 LEU HA 1 11 LEU QD 1.800 . 3.660 2.264 1.945 3.223 . 0 0 "[ . 1 . 2]" 1
2 1 11 LEU HA 1 11 LEU MD1 1.800 . 4.410 3.498 2.119 4.145 . 0 0 "[ . 1 . 2]" 1
3 1 11 LEU HA 1 11 LEU MD2 1.800 . 4.410 2.560 2.100 3.804 . 0 0 "[ . 1 . 2]" 1
4 1 11 LEU HA 1 12 ALA MB 1.800 . 5.150 3.950 3.864 4.040 . 0 0 "[ . 1 . 2]" 1
5 1 11 LEU HA 1 12 ALA H 1.800 . 3.420 2.227 2.138 2.341 . 0 0 "[ . 1 . 2]" 1
6 1 11 LEU QB 1 20 LEU MD1 1.800 . 4.050 2.832 2.034 4.279 0.229 6 0 "[ . 1 . 2]" 1
7 1 11 LEU HB3 1 11 LEU MD1 1.800 . 4.660 2.563 2.329 3.213 . 0 0 "[ . 1 . 2]" 1
8 1 11 LEU HB3 1 11 LEU MD2 1.800 . 4.660 2.343 2.224 3.216 . 0 0 "[ . 1 . 2]" 1
9 1 11 LEU HB2 1 11 LEU MD1 1.800 . 4.660 2.371 2.219 3.201 . 0 0 "[ . 1 . 2]" 1
10 1 11 LEU HB2 1 11 LEU MD2 1.800 . 4.660 2.987 2.250 3.214 . 0 0 "[ . 1 . 2]" 1
11 1 11 LEU QD 1 12 ALA H 1.800 . 5.240 3.514 2.000 4.439 . 0 0 "[ . 1 . 2]" 1
12 1 11 LEU QD 1 20 LEU HB3 1.800 . 4.850 4.367 3.604 4.868 0.018 12 0 "[ . 1 . 2]" 1
13 1 11 LEU QD 1 20 LEU HB2 1.800 . 4.850 3.180 2.232 4.158 . 0 0 "[ . 1 . 2]" 1
14 1 11 LEU QD 1 20 LEU MD1 1.800 . 4.710 3.041 1.965 3.896 . 0 0 "[ . 1 . 2]" 1
15 1 11 LEU MD1 1 20 LEU QB 1.800 . 5.530 3.552 2.565 5.201 . 0 0 "[ . 1 . 2]" 1
16 1 11 LEU MD2 1 20 LEU QB 1.800 . 5.530 4.325 2.230 5.546 0.016 15 0 "[ . 1 . 2]" 1
17 1 11 LEU H 1 11 LEU QD 1.800 . 4.920 2.833 1.823 3.894 . 0 0 "[ . 1 . 2]" 1
18 1 11 LEU H 1 11 LEU MD1 1.800 . 5.730 3.418 1.953 4.252 . 0 0 "[ . 1 . 2]" 1
19 1 11 LEU H 1 11 LEU MD2 1.800 . 5.730 3.303 1.830 4.517 . 0 0 "[ . 1 . 2]" 1
20 1 11 LEU H 1 11 LEU HG 1.800 . 4.880 2.643 1.836 4.846 . 0 0 "[ . 1 . 2]" 1
21 1 12 ALA HA 1 13 CYS H 1.800 . 3.600 2.225 2.101 2.330 . 0 0 "[ . 1 . 2]" 1
22 1 12 ALA HA 1 20 LEU MD1 1.800 . 5.800 4.185 2.347 5.597 . 0 0 "[ . 1 . 2]" 1
23 1 12 ALA HA 1 20 LEU HG 1.800 . 5.100 4.190 2.497 5.274 0.174 12 0 "[ . 1 . 2]" 1
24 1 12 ALA MB 1 13 CYS H 1.800 . 4.320 2.871 2.523 3.253 . 0 0 "[ . 1 . 2]" 1
25 1 12 ALA MB 1 17 HIS QB 1.800 . 4.800 3.920 2.354 4.797 . 0 0 "[ . 1 . 2]" 1
26 1 12 ALA H 1 20 LEU MD2 1.800 . 5.680 5.325 4.277 5.796 0.116 4 0 "[ . 1 . 2]" 1
27 1 13 CYS HA 1 14 PRO QD 1.800 . 3.400 2.094 1.980 2.205 . 0 0 "[ . 1 . 2]" 1
28 1 13 CYS HA 1 20 LEU MD1 1.800 . 4.800 2.829 2.220 3.483 . 0 0 "[ . 1 . 2]" 1
29 1 13 CYS HA 1 20 LEU MD2 1.800 . 4.350 2.794 2.207 4.103 . 0 0 "[ . 1 . 2]" 1
30 1 13 CYS QB 1 17 HIS HA 1.800 . 5.210 4.106 3.059 5.157 . 0 0 "[ . 1 . 2]" 1
31 1 13 CYS QB 1 17 HIS H 1.800 . 5.000 4.141 1.756 5.422 0.422 2 0 "[ . 1 . 2]" 1
32 1 13 CYS QB 1 18 ALA MB 1.800 . 5.970 3.995 2.758 5.092 . 0 0 "[ . 1 . 2]" 1
33 1 13 CYS HB3 1 18 ALA H 1.800 . 4.940 4.210 2.122 5.008 0.068 13 0 "[ . 1 . 2]" 1
34 1 13 CYS HB3 1 20 LEU MD2 1.800 . 4.940 2.533 2.032 3.858 . 0 0 "[ . 1 . 2]" 1
35 1 13 CYS HB2 1 18 ALA H 1.800 . 4.940 4.112 3.249 4.853 . 0 0 "[ . 1 . 2]" 1
36 1 13 CYS HB2 1 20 LEU MD2 1.800 . 4.940 3.525 2.159 4.370 . 0 0 "[ . 1 . 2]" 1
37 1 13 CYS H 1 13 CYS HB3 1.800 . 3.980 3.171 2.301 3.661 . 0 0 "[ . 1 . 2]" 1
38 1 13 CYS H 1 13 CYS HB2 1.800 . 3.980 3.310 2.926 3.588 . 0 0 "[ . 1 . 2]" 1
39 1 13 CYS H 1 20 LEU MD2 1.800 . 5.320 3.846 2.827 4.619 . 0 0 "[ . 1 . 2]" 1
40 1 13 CYS H 1 20 LEU HG 1.800 . 5.470 4.109 3.099 5.575 0.105 2 0 "[ . 1 . 2]" 1
41 1 14 PRO QB 1 15 ALA H 1.800 . 4.540 2.859 2.047 4.001 . 0 0 "[ . 1 . 2]" 1
42 1 14 PRO QB 1 47 LEU QB 1.800 . 4.940 3.832 2.530 4.998 0.058 15 0 "[ . 1 . 2]" 1
43 1 14 PRO QB 1 49 VAL MG1 1.800 . 5.560 5.085 2.437 5.658 0.098 10 0 "[ . 1 . 2]" 1
44 1 14 PRO HB3 1 49 VAL MG2 1.800 . 5.020 4.366 2.786 5.122 0.102 19 0 "[ . 1 . 2]" 1
45 1 14 PRO HB2 1 49 VAL MG2 1.800 . 5.020 3.313 2.532 4.080 . 0 0 "[ . 1 . 2]" 1
46 1 14 PRO QD 1 15 ALA H 1.800 . 6.050 3.736 2.657 5.046 . 0 0 "[ . 1 . 2]" 1
47 1 14 PRO QD 1 20 LEU MD1 1.800 . 5.350 3.496 2.618 4.495 . 0 0 "[ . 1 . 2]" 1
48 1 14 PRO QD 1 47 LEU QB 1.800 . 5.350 4.130 3.088 5.029 . 0 0 "[ . 1 . 2]" 1
49 1 14 PRO QD 1 47 LEU MD1 1.800 . 6.050 4.625 2.843 5.558 . 0 0 "[ . 1 . 2]" 1
50 1 14 PRO QD 1 47 LEU MD2 1.800 . 4.960 3.465 2.288 4.981 0.021 3 0 "[ . 1 . 2]" 1
51 1 14 PRO QG 1 47 LEU QB 1.800 . 6.050 3.269 2.228 4.263 . 0 0 "[ . 1 . 2]" 1
52 1 14 PRO QG 1 47 LEU MD2 1.800 . 5.950 3.549 2.287 4.729 . 0 0 "[ . 1 . 2]" 1
53 1 14 PRO QG 1 49 VAL MG1 1.800 . 6.050 5.036 2.209 6.127 0.077 15 0 "[ . 1 . 2]" 1
54 1 14 PRO QG 1 49 VAL MG2 1.800 . 4.810 3.435 2.424 4.849 0.039 13 0 "[ . 1 . 2]" 1
55 1 15 ALA HA 1 49 VAL MG2 1.800 . 5.380 4.578 3.721 5.475 0.095 12 0 "[ . 1 . 2]" 1
56 1 15 ALA MB 1 16 CYS H 1.800 . 4.000 2.419 1.825 3.472 . 0 0 "[ . 1 . 2]" 1
57 1 15 ALA MB 1 36 LEU MD1 1.800 . 4.900 3.553 2.580 4.862 . 0 0 "[ . 1 . 2]" 1
58 1 15 ALA MB 1 36 LEU MD2 1.800 . 7.200 5.398 3.646 6.734 . 0 0 "[ . 1 . 2]" 1
59 1 15 ALA MB 1 49 VAL MG1 1.800 . 4.750 3.401 2.093 4.617 . 0 0 "[ . 1 . 2]" 1
60 1 15 ALA MB 1 49 VAL MG2 1.800 . 3.630 2.634 1.940 3.652 0.022 8 0 "[ . 1 . 2]" 1
61 1 15 ALA H 1 16 CYS H 1.800 . 3.660 2.753 1.817 3.834 0.174 4 0 "[ . 1 . 2]" 1
62 1 16 CYS QB 1 17 HIS H 1.800 . 4.570 2.837 1.848 4.033 . 0 0 "[ . 1 . 2]" 1
63 1 17 HIS H 1 18 ALA H 1.800 . 4.270 3.628 2.143 4.480 0.210 16 0 "[ . 1 . 2]" 1
64 1 18 ALA HA 1 19 PRO QD 1.800 . 3.260 2.134 2.002 2.251 . 0 0 "[ . 1 . 2]" 1
65 1 18 ALA MB 1 19 PRO HA 1.800 . 5.720 4.388 4.228 4.659 . 0 0 "[ . 1 . 2]" 1
66 1 18 ALA MB 1 19 PRO QD 1.800 . 3.490 2.124 1.918 2.892 . 0 0 "[ . 1 . 2]" 1
67 1 18 ALA MB 1 30 THR H 1.800 . 6.030 3.651 3.025 4.190 . 0 0 "[ . 1 . 2]" 1
68 1 18 ALA MB 1 31 GLY QA 1.800 . 4.000 2.459 1.882 4.066 0.066 7 0 "[ . 1 . 2]" 1
69 1 18 ALA MB 1 31 GLY H 1.800 . 4.160 3.864 2.376 4.360 0.200 14 0 "[ . 1 . 2]" 1
70 1 18 ALA H 1 18 ALA MB 1.800 . 3.670 2.698 2.025 3.014 . 0 0 "[ . 1 . 2]" 1
71 1 19 PRO HA 1 20 LEU HG 1.800 . 5.290 3.578 3.259 4.343 . 0 0 "[ . 1 . 2]" 1
72 1 19 PRO HA 1 20 LEU H 1.800 . 3.550 2.343 2.209 2.535 . 0 0 "[ . 1 . 2]" 1
73 1 20 LEU HA 1 20 LEU MD2 1.800 . 3.870 2.271 2.087 3.418 . 0 0 "[ . 1 . 2]" 1
74 1 20 LEU HA 1 21 GLU H 1.800 . 3.660 2.228 2.147 2.299 . 0 0 "[ . 1 . 2]" 1
75 1 20 LEU HA 1 29 CYS HA 1.800 . 4.290 2.658 2.315 2.913 . 0 0 "[ . 1 . 2]" 1
76 1 20 LEU HA 1 30 THR MG 1.800 . 4.800 4.213 2.309 4.985 0.185 2 0 "[ . 1 . 2]" 1
77 1 20 LEU HA 1 30 THR H 1.800 . 5.040 2.472 2.116 3.311 . 0 0 "[ . 1 . 2]" 1
78 1 20 LEU QB 1 20 LEU MD2 1.800 . 4.650 2.204 2.107 2.253 . 0 0 "[ . 1 . 2]" 1
79 1 20 LEU QB 1 21 GLU H 1.800 . 4.440 2.874 2.681 3.133 . 0 0 "[ . 1 . 2]" 1
80 1 20 LEU QB 1 27 LEU QB 1.800 . 4.910 3.099 2.324 3.684 . 0 0 "[ . 1 . 2]" 1
81 1 20 LEU HB3 1 20 LEU MD1 1.800 . 4.490 2.492 2.331 3.118 . 0 0 "[ . 1 . 2]" 1
82 1 20 LEU HB2 1 20 LEU MD1 1.800 . 4.490 2.308 2.210 2.389 . 0 0 "[ . 1 . 2]" 1
83 1 20 LEU MD1 1 27 LEU HB3 1.800 . 5.140 3.802 3.151 4.505 . 0 0 "[ . 1 . 2]" 1
84 1 20 LEU MD1 1 27 LEU HB2 1.800 . 5.140 4.693 3.542 5.244 0.104 11 0 "[ . 1 . 2]" 1
85 1 20 LEU MD1 1 47 LEU MD2 1.800 . 4.130 3.641 2.831 4.170 0.040 10 0 "[ . 1 . 2]" 1
86 1 20 LEU MD2 1 21 GLU H 1.800 . 5.390 3.516 2.752 4.386 . 0 0 "[ . 1 . 2]" 1
87 1 20 LEU MD2 1 29 CYS HA 1.800 . 3.650 2.171 2.016 2.888 . 0 0 "[ . 1 . 2]" 1
88 1 20 LEU MD2 1 29 CYS HB3 1.800 . 4.570 4.100 3.617 4.534 . 0 0 "[ . 1 . 2]" 1
89 1 20 LEU MD2 1 29 CYS HB2 1.800 . 4.570 3.786 3.043 4.604 0.034 7 0 "[ . 1 . 2]" 1
90 1 20 LEU MD2 1 29 CYS H 1.800 . 4.840 3.932 3.473 4.210 . 0 0 "[ . 1 . 2]" 1
91 1 20 LEU MD2 1 30 THR H 1.800 . 4.490 3.085 2.598 4.549 0.059 10 0 "[ . 1 . 2]" 1
92 1 20 LEU MD2 1 38 TYR QD 1.800 . 4.880 3.574 2.736 4.491 . 0 0 "[ . 1 . 2]" 1
93 1 20 LEU MD2 1 38 TYR QE 1.800 . 5.570 3.123 2.180 4.264 . 0 0 "[ . 1 . 2]" 1
94 1 20 LEU MD2 1 47 LEU MD2 1.800 . 4.740 4.549 3.584 4.885 0.145 3 0 "[ . 1 . 2]" 1
95 1 20 LEU H 1 20 LEU MD2 1.800 . 4.950 3.796 3.363 4.400 . 0 0 "[ . 1 . 2]" 1
96 1 20 LEU H 1 20 LEU HG 1.800 . 4.290 2.777 2.393 3.438 . 0 0 "[ . 1 . 2]" 1
97 1 21 GLU HA 1 22 GLU H 1.800 . 3.500 2.151 2.110 2.179 . 0 0 "[ . 1 . 2]" 1
98 1 21 GLU HB3 1 30 THR MG 1.800 . 4.480 3.952 2.475 4.620 0.140 19 0 "[ . 1 . 2]" 1
99 1 21 GLU HB2 1 30 THR MG 1.800 . 4.480 3.283 2.128 4.568 0.088 2 0 "[ . 1 . 2]" 1
100 1 21 GLU QG 1 22 GLU H 1.800 . 5.210 3.535 2.544 4.609 . 0 0 "[ . 1 . 2]" 1
101 1 21 GLU QG 1 30 THR MG 1.800 . 4.130 3.252 2.019 4.285 0.155 17 0 "[ . 1 . 2]" 1
102 1 21 GLU H 1 28 ILE H 1.800 . 5.030 3.048 2.671 3.549 . 0 0 "[ . 1 . 2]" 1
103 1 21 GLU H 1 29 CYS HA 1.800 . 6.050 3.626 3.312 3.848 . 0 0 "[ . 1 . 2]" 1
104 1 21 GLU H 1 30 THR MG 1.800 . 5.160 4.184 2.920 5.018 . 0 0 "[ . 1 . 2]" 1
105 1 22 GLU HA 1 23 ARG H 1.800 . 3.430 2.187 2.142 2.230 . 0 0 "[ . 1 . 2]" 1
106 1 22 GLU HA 1 27 LEU HA 1.800 . 4.510 2.466 2.218 3.101 . 0 0 "[ . 1 . 2]" 1
107 1 22 GLU HA 1 27 LEU MD2 1.800 . 3.980 2.601 2.048 4.006 0.026 16 0 "[ . 1 . 2]" 1
108 1 22 GLU HA 1 28 ILE H 1.800 . 5.930 3.452 3.041 4.041 . 0 0 "[ . 1 . 2]" 1
109 1 22 GLU QB 1 27 LEU MD2 1.800 . 4.650 2.983 2.081 4.010 . 0 0 "[ . 1 . 2]" 1
110 1 22 GLU QG 1 23 ARG H 1.800 . 4.850 3.560 2.468 4.788 . 0 0 "[ . 1 . 2]" 1
111 1 22 GLU QG 1 27 LEU MD2 1.800 . 4.440 2.960 1.981 4.472 0.032 12 0 "[ . 1 . 2]" 1
112 1 22 GLU H 1 22 GLU QB 1.800 . 3.770 2.439 2.280 2.878 . 0 0 "[ . 1 . 2]" 1
113 1 22 GLU H 1 22 GLU QG 1.800 . 5.460 2.938 1.729 4.062 0.071 12 0 "[ . 1 . 2]" 1
114 1 23 ARG HA 1 23 ARG QD 1.800 . 4.640 3.637 2.167 4.666 0.026 18 0 "[ . 1 . 2]" 1
115 1 23 ARG HA 1 24 ASP H 1.800 . 3.440 2.208 2.093 2.393 . 0 0 "[ . 1 . 2]" 1
116 1 23 ARG H 1 26 GLU H 1.800 . 5.370 3.114 2.778 3.494 . 0 0 "[ . 1 . 2]" 1
117 1 23 ARG H 1 27 LEU HA 1.800 . 5.020 3.075 2.726 3.444 . 0 0 "[ . 1 . 2]" 1
118 1 24 ASP HA 1 26 GLU H 1.800 . 6.050 4.531 3.812 4.870 . 0 0 "[ . 1 . 2]" 1
119 1 24 ASP QB 1 25 ALA H 1.800 . 4.190 2.519 1.717 3.956 0.083 3 0 "[ . 1 . 2]" 1
120 1 25 ALA H 1 26 GLU H 1.800 . 4.170 2.495 2.032 2.958 . 0 0 "[ . 1 . 2]" 1
121 1 26 GLU HA 1 26 GLU QG 1.800 . 3.960 2.764 2.322 3.313 . 0 0 "[ . 1 . 2]" 1
122 1 26 GLU HA 1 27 LEU H 1.800 . 3.740 2.367 2.234 2.665 . 0 0 "[ . 1 . 2]" 1
123 1 26 GLU HA 1 39 PRO HA 1.800 . 5.980 2.749 2.325 3.374 . 0 0 "[ . 1 . 2]" 1
124 1 26 GLU HA 1 40 VAL MG2 1.800 . 4.350 2.572 2.271 4.425 0.075 2 0 "[ . 1 . 2]" 1
125 1 26 GLU HA 1 40 VAL H 1.800 . 5.870 3.228 2.726 3.618 . 0 0 "[ . 1 . 2]" 1
126 1 26 GLU QB 1 27 LEU H 1.800 . 4.030 2.651 1.946 3.494 . 0 0 "[ . 1 . 2]" 1
127 1 26 GLU QB 1 28 ILE MD 1.800 . 4.730 4.055 2.949 4.891 0.161 10 0 "[ . 1 . 2]" 1
128 1 26 GLU QB 1 28 ILE QG 1.800 . 5.830 3.925 3.326 4.583 . 0 0 "[ . 1 . 2]" 1
129 1 26 GLU QB 1 37 ALA MB 1.800 . 5.460 3.839 3.074 4.935 . 0 0 "[ . 1 . 2]" 1
130 1 26 GLU QB 1 39 PRO HA 1.800 . 4.920 2.612 2.076 3.774 . 0 0 "[ . 1 . 2]" 1
131 1 26 GLU QG 1 39 PRO HA 1.800 . 4.630 3.160 2.173 4.384 . 0 0 "[ . 1 . 2]" 1
132 1 26 GLU H 1 26 GLU QG 1.800 . 4.720 2.933 2.194 4.137 . 0 0 "[ . 1 . 2]" 1
133 1 27 LEU HA 1 27 LEU MD2 1.800 . 3.940 2.430 2.088 3.656 . 0 0 "[ . 1 . 2]" 1
134 1 27 LEU HA 1 28 ILE H 1.800 . 3.490 2.159 2.117 2.219 . 0 0 "[ . 1 . 2]" 1
135 1 27 LEU QB 1 47 LEU MD2 1.800 . 4.730 4.438 4.098 4.752 0.022 7 0 "[ . 1 . 2]" 1
136 1 27 LEU HB3 1 27 LEU MD1 1.800 . 4.380 2.529 2.216 3.196 . 0 0 "[ . 1 . 2]" 1
137 1 27 LEU HB3 1 27 LEU MD2 1.800 . 4.530 2.371 2.196 3.209 . 0 0 "[ . 1 . 2]" 1
138 1 27 LEU HB3 1 38 TYR QB 1.800 . 6.030 3.745 3.055 4.251 . 0 0 "[ . 1 . 2]" 1
139 1 27 LEU HB2 1 27 LEU MD1 1.800 . 4.380 2.411 2.208 3.201 . 0 0 "[ . 1 . 2]" 1
140 1 27 LEU HB2 1 27 LEU MD2 1.800 . 4.530 2.995 2.405 3.206 . 0 0 "[ . 1 . 2]" 1
141 1 27 LEU HB2 1 38 TYR QB 1.800 . 6.030 2.363 2.246 2.881 . 0 0 "[ . 1 . 2]" 1
142 1 27 LEU MD1 1 38 TYR QB 1.800 . 5.260 3.376 2.868 4.828 . 0 0 "[ . 1 . 2]" 1
143 1 27 LEU MD1 1 45 PRO HA 1.800 . 5.600 3.779 2.792 5.626 0.026 19 0 "[ . 1 . 2]" 1
144 1 27 LEU MD1 1 45 PRO QB 1.800 . 4.470 2.293 1.930 3.551 . 0 0 "[ . 1 . 2]" 1
145 1 27 LEU MD1 1 45 PRO HG3 1.800 . 5.130 3.148 2.097 4.034 . 0 0 "[ . 1 . 2]" 1
146 1 27 LEU MD1 1 45 PRO HG2 1.800 . 5.130 3.922 2.829 5.087 . 0 0 "[ . 1 . 2]" 1
147 1 27 LEU MD1 1 47 LEU MD2 1.800 . 4.510 3.637 2.967 4.597 0.087 18 0 "[ . 1 . 2]" 1
148 1 27 LEU MD2 1 28 ILE H 1.800 . 6.080 3.861 3.256 4.814 . 0 0 "[ . 1 . 2]" 1
149 1 27 LEU HG 1 40 VAL MG2 1.800 . 4.440 3.451 2.667 4.510 0.070 19 0 "[ . 1 . 2]" 1
150 1 27 LEU H 1 27 LEU HG 1.800 . 4.810 2.992 2.282 4.169 . 0 0 "[ . 1 . 2]" 1
151 1 27 LEU H 1 38 TYR H 1.800 . 4.390 3.250 2.952 3.989 . 0 0 "[ . 1 . 2]" 1
152 1 27 LEU H 1 40 VAL MG2 1.800 . 5.570 3.699 3.206 5.441 . 0 0 "[ . 1 . 2]" 1
153 1 28 ILE HA 1 28 ILE MD 1.800 . 5.050 3.311 2.070 4.119 . 0 0 "[ . 1 . 2]" 1
154 1 28 ILE HA 1 29 CYS H 1.800 . 3.500 2.168 2.113 2.255 . 0 0 "[ . 1 . 2]" 1
155 1 28 ILE HA 1 37 ALA HA 1.800 . 3.750 2.301 2.186 2.405 . 0 0 "[ . 1 . 2]" 1
156 1 28 ILE HA 1 37 ALA MB 1.800 . 4.130 3.217 2.099 3.774 . 0 0 "[ . 1 . 2]" 1
157 1 28 ILE HA 1 38 TYR H 1.800 . 4.990 3.334 2.448 3.649 . 0 0 "[ . 1 . 2]" 1
158 1 28 ILE MD 1 37 ALA MB 1.800 . 4.730 3.338 1.914 4.729 . 0 0 "[ . 1 . 2]" 1
159 1 28 ILE QG 1 37 ALA HA 1.800 . 5.870 3.776 2.444 4.933 . 0 0 "[ . 1 . 2]" 1
160 1 28 ILE HG13 1 28 ILE MG 1.800 . 4.410 2.935 2.258 3.202 . 0 0 "[ . 1 . 2]" 1
161 1 28 ILE HG12 1 28 ILE MG 1.800 . 4.410 2.594 2.315 3.196 . 0 0 "[ . 1 . 2]" 1
162 1 28 ILE MG 1 29 CYS H 1.800 . 4.910 2.622 1.947 3.607 . 0 0 "[ . 1 . 2]" 1
163 1 28 ILE MG 1 37 ALA HA 1.800 . 4.810 3.459 2.294 3.806 . 0 0 "[ . 1 . 2]" 1
164 1 28 ILE MG 1 37 ALA MB 1.800 . 4.160 3.156 2.350 3.481 . 0 0 "[ . 1 . 2]" 1
165 1 28 ILE H 1 28 ILE HB 1.800 . 4.140 2.628 2.469 3.651 . 0 0 "[ . 1 . 2]" 1
166 1 28 ILE H 1 28 ILE MD 1.800 . 5.120 3.687 3.172 4.110 . 0 0 "[ . 1 . 2]" 1
167 1 28 ILE H 1 28 ILE QG 1.800 . 4.220 2.624 1.803 3.146 . 0 0 "[ . 1 . 2]" 1
168 1 29 CYS QB 1 35 GLY QA 1.800 . 5.010 3.149 2.155 3.766 . 0 0 "[ . 1 . 2]" 1
169 1 29 CYS QB 1 37 ALA H 1.800 . 5.810 4.845 4.488 5.370 . 0 0 "[ . 1 . 2]" 1
170 1 29 CYS HB3 1 36 LEU H 1.800 . 4.650 3.172 2.246 4.846 0.196 18 0 "[ . 1 . 2]" 1
171 1 29 CYS HB2 1 36 LEU H 1.800 . 4.650 3.142 2.116 4.770 0.120 14 0 "[ . 1 . 2]" 1
172 1 29 CYS H 1 29 CYS HB3 1.800 . 3.980 3.148 2.603 3.585 . 0 0 "[ . 1 . 2]" 1
173 1 29 CYS H 1 29 CYS HB2 1.800 . 3.980 2.215 2.065 2.494 . 0 0 "[ . 1 . 2]" 1
174 1 29 CYS H 1 37 ALA HA 1.800 . 4.940 3.033 2.577 3.232 . 0 0 "[ . 1 . 2]" 1
175 1 30 THR HA 1 30 THR MG 1.800 . 3.590 2.300 2.175 3.178 . 0 0 "[ . 1 . 2]" 1
176 1 30 THR H 1 30 THR MG 1.800 . 3.930 3.398 2.126 3.861 . 0 0 "[ . 1 . 2]" 1
177 1 30 THR H 1 31 GLY H 1.800 . 4.260 3.954 2.127 4.605 0.345 12 0 "[ . 1 . 2]" 1
178 1 31 GLY QA 1 32 GLN H 1.800 . 3.220 2.257 2.138 2.921 . 0 0 "[ . 1 . 2]" 1
179 1 32 GLN HA 1 34 CYS H 1.800 . 5.080 3.924 3.403 4.670 . 0 0 "[ . 1 . 2]" 1
180 1 32 GLN H 1 32 GLN QB 1.800 . 3.620 2.366 2.258 2.733 . 0 0 "[ . 1 . 2]" 1
181 1 32 GLN H 1 32 GLN QG 1.800 . 4.690 3.090 1.812 4.064 . 0 0 "[ . 1 . 2]" 1
182 1 32 GLN H 1 33 ASP H 1.800 . 4.350 2.666 2.464 2.853 . 0 0 "[ . 1 . 2]" 1
183 1 33 ASP H 1 34 CYS H 1.800 . 3.880 2.389 1.801 2.584 . 0 0 "[ . 1 . 2]" 1
184 1 34 CYS HB3 1 35 GLY H 1.800 . 4.730 2.650 1.798 4.568 0.002 17 0 "[ . 1 . 2]" 1
185 1 34 CYS HB2 1 35 GLY H 1.800 . 4.730 3.113 1.859 4.583 . 0 0 "[ . 1 . 2]" 1
186 1 34 CYS H 1 35 GLY H 1.800 . 5.210 3.853 2.379 4.613 . 0 0 "[ . 1 . 2]" 1
187 1 35 GLY H 1 36 LEU H 1.800 . 4.440 2.471 1.647 4.450 0.153 15 0 "[ . 1 . 2]" 1
188 1 36 LEU HA 1 36 LEU MD1 1.800 . 5.040 3.735 2.194 3.853 . 0 0 "[ . 1 . 2]" 1
189 1 36 LEU HA 1 36 LEU MD2 1.800 . 3.610 2.129 2.097 2.266 . 0 0 "[ . 1 . 2]" 1
190 1 36 LEU HA 1 37 ALA H 1.800 . 3.430 2.297 2.137 2.554 . 0 0 "[ . 1 . 2]" 1
191 1 36 LEU HA 1 54 ARG HA 1.800 . 4.680 2.971 2.374 3.814 . 0 0 "[ . 1 . 2]" 1
192 1 36 LEU HA 1 55 PRO QD 1.800 . 5.020 2.657 2.312 3.541 . 0 0 "[ . 1 . 2]" 1
193 1 36 LEU QB 1 36 LEU MD1 1.800 . 4.000 2.105 2.083 2.199 . 0 0 "[ . 1 . 2]" 1
194 1 36 LEU QB 1 36 LEU MD2 1.800 . 4.250 2.241 2.197 2.319 . 0 0 "[ . 1 . 2]" 1
195 1 36 LEU QB 1 52 ALA MB 1.800 . 4.240 2.847 2.344 3.841 . 0 0 "[ . 1 . 2]" 1
196 1 36 LEU HB3 1 37 ALA H 1.800 . 6.050 2.837 2.181 3.824 . 0 0 "[ . 1 . 2]" 1
197 1 36 LEU HB2 1 37 ALA H 1.800 . 6.050 3.834 3.262 4.589 . 0 0 "[ . 1 . 2]" 1
198 1 36 LEU MD1 1 49 VAL HA 1.800 . 5.150 4.306 3.070 5.162 0.012 18 0 "[ . 1 . 2]" 1
199 1 36 LEU MD1 1 49 VAL MG1 1.800 . 5.800 3.369 2.317 4.179 . 0 0 "[ . 1 . 2]" 1
200 1 36 LEU MD1 1 49 VAL MG2 1.800 . 4.800 4.007 3.076 4.813 0.013 18 0 "[ . 1 . 2]" 1
201 1 36 LEU MD2 1 37 ALA H 1.800 . 6.040 3.464 3.178 3.968 . 0 0 "[ . 1 . 2]" 1
202 1 36 LEU MD2 1 52 ALA MB 1.800 . 4.700 3.406 2.271 4.270 . 0 0 "[ . 1 . 2]" 1
203 1 36 LEU MD2 1 54 ARG HA 1.800 . 4.330 2.743 2.077 3.964 . 0 0 "[ . 1 . 2]" 1
204 1 36 LEU MD2 1 54 ARG QD 1.800 . 5.130 4.091 2.621 5.159 0.029 3 0 "[ . 1 . 2]" 1
205 1 36 LEU MD2 1 54 ARG QG 1.800 . 4.380 3.233 2.149 4.377 . 0 0 "[ . 1 . 2]" 1
206 1 36 LEU MD2 1 55 PRO QD 1.800 . 4.730 2.781 2.173 4.214 . 0 0 "[ . 1 . 2]" 1
207 1 36 LEU H 1 36 LEU QB 1.800 . 3.780 2.656 2.465 3.490 . 0 0 "[ . 1 . 2]" 1
208 1 36 LEU H 1 36 LEU MD1 1.800 . 4.950 3.643 3.460 4.455 . 0 0 "[ . 1 . 2]" 1
209 1 36 LEU H 1 36 LEU MD2 1.800 . 5.100 3.082 1.837 4.026 . 0 0 "[ . 1 . 2]" 1
210 1 36 LEU H 1 36 LEU HG 1.800 . 3.820 2.232 1.813 4.142 0.322 12 0 "[ . 1 . 2]" 1
211 1 36 LEU H 1 37 ALA H 1.800 . 5.100 4.539 3.939 4.683 . 0 0 "[ . 1 . 2]" 1
212 1 37 ALA HA 1 38 TYR QD 1.800 . 5.460 3.304 2.696 4.216 . 0 0 "[ . 1 . 2]" 1
213 1 37 ALA HA 1 38 TYR H 1.800 . 3.510 2.186 2.127 2.272 . 0 0 "[ . 1 . 2]" 1
214 1 37 ALA MB 1 53 ARG QB 1.800 . 4.330 2.450 2.036 4.004 . 0 0 "[ . 1 . 2]" 1
215 1 37 ALA H 1 52 ALA MB 1.800 . 5.490 3.758 3.413 4.205 . 0 0 "[ . 1 . 2]" 1
216 1 37 ALA H 1 53 ARG H 1.800 . 4.600 3.172 2.828 3.518 . 0 0 "[ . 1 . 2]" 1
217 1 38 TYR HA 1 39 PRO QD 1.800 . 3.400 2.046 2.011 2.079 . 0 0 "[ . 1 . 2]" 1
218 1 38 TYR HA 1 52 ALA HA 1.800 . 4.610 3.118 2.718 3.580 . 0 0 "[ . 1 . 2]" 1
219 1 38 TYR HA 1 52 ALA MB 1.800 . 5.490 4.037 3.341 4.918 . 0 0 "[ . 1 . 2]" 1
220 1 38 TYR HA 1 53 ARG H 1.800 . 5.690 3.294 3.154 3.478 . 0 0 "[ . 1 . 2]" 1
221 1 38 TYR QB 1 47 LEU HA 1.800 . 5.080 3.990 3.566 4.233 . 0 0 "[ . 1 . 2]" 1
222 1 38 TYR HB3 1 47 LEU MD2 1.800 . 4.830 3.954 3.358 4.494 . 0 0 "[ . 1 . 2]" 1
223 1 38 TYR HB2 1 47 LEU MD2 1.800 . 4.830 4.163 3.628 4.478 . 0 0 "[ . 1 . 2]" 1
224 1 38 TYR QD 1 47 LEU HA 1.800 . 4.540 3.688 2.803 4.512 . 0 0 "[ . 1 . 2]" 1
225 1 38 TYR QD 1 47 LEU MD2 1.800 . 5.190 4.152 3.528 4.456 . 0 0 "[ . 1 . 2]" 1
226 1 38 TYR QE 1 49 VAL HA 1.800 . 4.370 3.088 2.576 3.774 . 0 0 "[ . 1 . 2]" 1
227 1 38 TYR QE 1 52 ALA MB 1.800 . 5.220 2.225 2.064 2.443 . 0 0 "[ . 1 . 2]" 1
228 1 38 TYR H 1 38 TYR QD 1.800 . 4.320 2.494 1.901 3.078 . 0 0 "[ . 1 . 2]" 1
229 1 39 PRO HA 1 40 VAL H 1.800 . 3.450 2.389 2.299 2.473 . 0 0 "[ . 1 . 2]" 1
230 1 39 PRO QD 1 40 VAL H 1.800 . 6.050 4.953 4.865 4.997 . 0 0 "[ . 1 . 2]" 1
231 1 39 PRO QD 1 46 VAL HB 1.800 . 5.850 2.764 2.329 4.523 . 0 0 "[ . 1 . 2]" 1
232 1 39 PRO HD3 1 52 ALA HA 1.800 . 4.970 3.840 2.934 4.653 . 0 0 "[ . 1 . 2]" 1
233 1 39 PRO HD2 1 52 ALA HA 1.800 . 4.970 3.682 2.920 4.485 . 0 0 "[ . 1 . 2]" 1
234 1 40 VAL HA 1 40 VAL MG1 1.800 . 3.940 2.420 2.310 3.186 . 0 0 "[ . 1 . 2]" 1
235 1 40 VAL HA 1 40 VAL MG2 1.800 . 4.060 2.319 2.218 2.390 . 0 0 "[ . 1 . 2]" 1
236 1 40 VAL HA 1 41 ARG H 1.800 . 3.590 2.180 2.127 2.234 . 0 0 "[ . 1 . 2]" 1
237 1 40 VAL HA 1 45 PRO HA 1.800 . 3.600 2.265 2.181 2.324 . 0 0 "[ . 1 . 2]" 1
238 1 40 VAL HA 1 46 VAL MG2 1.800 . 5.060 3.295 2.896 4.872 . 0 0 "[ . 1 . 2]" 1
239 1 40 VAL HA 1 46 VAL H 1.800 . 4.860 3.261 2.931 4.254 . 0 0 "[ . 1 . 2]" 1
240 1 40 VAL MG1 1 41 ARG H 1.800 . 4.470 2.599 2.477 3.742 . 0 0 "[ . 1 . 2]" 1
241 1 40 VAL MG1 1 43 GLY QA 1.800 . 5.130 2.349 2.074 3.213 . 0 0 "[ . 1 . 2]" 1
242 1 40 VAL MG1 1 43 GLY H 1.800 . 4.460 2.266 1.803 3.037 . 0 0 "[ . 1 . 2]" 1
243 1 40 VAL MG1 1 44 ILE H 1.800 . 4.730 2.709 2.371 3.956 . 0 0 "[ . 1 . 2]" 1
244 1 40 VAL MG1 1 45 PRO HA 1.800 . 4.570 3.288 2.939 4.598 0.028 2 0 "[ . 1 . 2]" 1
245 1 40 VAL MG1 1 45 PRO QD 1.800 . 5.050 3.427 2.851 4.866 . 0 0 "[ . 1 . 2]" 1
246 1 40 VAL MG2 1 41 ARG H 1.800 . 5.180 3.839 2.517 3.988 . 0 0 "[ . 1 . 2]" 1
247 1 40 VAL MG2 1 45 PRO HA 1.800 . 3.990 2.531 2.289 3.638 . 0 0 "[ . 1 . 2]" 1
248 1 40 VAL MG2 1 45 PRO QB 1.800 . 4.610 2.959 2.420 3.707 . 0 0 "[ . 1 . 2]" 1
249 1 40 VAL MG2 1 45 PRO QG 1.800 . 5.060 3.589 2.671 4.549 . 0 0 "[ . 1 . 2]" 1
250 1 40 VAL MG2 1 46 VAL H 1.800 . 5.120 4.040 3.713 5.344 0.224 8 0 "[ . 1 . 2]" 1
251 1 40 VAL H 1 40 VAL HB 1.800 . 3.980 2.466 2.373 2.935 . 0 0 "[ . 1 . 2]" 1
252 1 40 VAL H 1 40 VAL MG2 1.800 . 4.390 2.694 2.383 3.888 . 0 0 "[ . 1 . 2]" 1
253 1 41 ARG HA 1 41 ARG QG 1.800 . 3.860 2.468 2.279 2.880 . 0 0 "[ . 1 . 2]" 1
254 1 41 ARG HA 1 42 ASP H 1.800 . 3.690 2.167 2.103 2.237 . 0 0 "[ . 1 . 2]" 1
255 1 41 ARG QB 1 46 VAL MG2 1.800 . 4.550 2.815 1.979 3.965 . 0 0 "[ . 1 . 2]" 1
256 1 41 ARG QG 1 46 VAL MG2 1.800 . 5.410 3.717 2.026 5.014 . 0 0 "[ . 1 . 2]" 1
257 1 41 ARG QD 1 46 VAL MG2 1.800 . 4.800 3.636 2.076 4.307 . 0 0 "[ . 1 . 2]" 1
258 1 41 ARG H 1 41 ARG QG 1.800 . 5.390 3.680 2.527 4.209 . 0 0 "[ . 1 . 2]" 1
259 1 41 ARG H 1 44 ILE H 1.800 . 4.500 3.041 2.848 3.214 . 0 0 "[ . 1 . 2]" 1
260 1 41 ARG H 1 45 PRO HA 1.800 . 5.320 3.414 2.515 3.562 . 0 0 "[ . 1 . 2]" 1
261 1 42 ASP H 1 43 GLY H 1.800 . 4.440 2.747 2.661 2.850 . 0 0 "[ . 1 . 2]" 1
262 1 43 GLY H 1 44 ILE H 1.800 . 4.490 2.469 2.301 2.569 . 0 0 "[ . 1 . 2]" 1
263 1 44 ILE HA 1 44 ILE MD 1.800 . 4.660 3.369 2.060 4.130 . 0 0 "[ . 1 . 2]" 1
264 1 44 ILE HA 1 45 PRO HD3 1.800 . 3.450 2.291 2.184 2.353 . 0 0 "[ . 1 . 2]" 1
265 1 44 ILE HA 1 45 PRO HD2 1.800 . 3.450 2.318 2.212 2.505 . 0 0 "[ . 1 . 2]" 1
266 1 44 ILE HA 1 45 PRO QG 1.800 . 5.810 3.974 3.914 4.020 . 0 0 "[ . 1 . 2]" 1
267 1 44 ILE MD 1 45 PRO QD 1.800 . 5.520 4.107 3.060 5.014 . 0 0 "[ . 1 . 2]" 1
268 1 44 ILE QG 1 44 ILE MG 1.800 . 3.530 2.259 2.075 2.329 . 0 0 "[ . 1 . 2]" 1
269 1 44 ILE MG 1 45 PRO QD 1.800 . 3.760 2.656 2.060 3.787 0.027 8 0 "[ . 1 . 2]" 1
270 1 44 ILE H 1 44 ILE HB 1.800 . 3.950 2.800 2.482 3.821 . 0 0 "[ . 1 . 2]" 1
271 1 44 ILE H 1 44 ILE MD 1.800 . 5.360 3.655 2.046 4.694 . 0 0 "[ . 1 . 2]" 1
272 1 44 ILE H 1 44 ILE QG 1.800 . 4.230 2.585 2.041 4.147 . 0 0 "[ . 1 . 2]" 1
273 1 45 PRO HA 1 46 VAL MG2 1.800 . 5.000 3.538 3.362 3.690 . 0 0 "[ . 1 . 2]" 1
274 1 45 PRO HA 1 46 VAL H 1.800 . 3.490 2.245 2.185 2.320 . 0 0 "[ . 1 . 2]" 1
275 1 45 PRO QB 1 47 LEU HG 1.800 . 4.690 3.523 2.850 4.571 . 0 0 "[ . 1 . 2]" 1
276 1 45 PRO HB3 1 47 LEU MD2 1.800 . 5.160 3.939 3.211 4.770 . 0 0 "[ . 1 . 2]" 1
277 1 45 PRO HB2 1 47 LEU MD2 1.800 . 5.160 2.917 2.142 3.483 . 0 0 "[ . 1 . 2]" 1
278 1 45 PRO QG 1 47 LEU MD1 1.800 . 5.480 3.940 3.017 5.001 . 0 0 "[ . 1 . 2]" 1
279 1 45 PRO QG 1 47 LEU HG 1.800 . 5.330 4.145 2.985 5.355 0.025 9 0 "[ . 1 . 2]" 1
280 1 46 VAL HA 1 46 VAL MG1 1.800 . 3.730 2.310 2.202 2.365 . 0 0 "[ . 1 . 2]" 1
281 1 46 VAL HA 1 46 VAL MG2 1.800 . 3.940 2.396 2.263 3.175 . 0 0 "[ . 1 . 2]" 1
282 1 46 VAL HA 1 47 LEU H 1.800 . 3.400 2.191 2.141 2.282 . 0 0 "[ . 1 . 2]" 1
283 1 46 VAL MG1 1 47 LEU H 1.800 . 4.280 3.034 2.559 4.015 . 0 0 "[ . 1 . 2]" 1
284 1 46 VAL MG1 1 48 LEU QB 1.800 . 4.090 2.463 2.163 4.125 0.035 2 0 "[ . 1 . 2]" 1
285 1 46 VAL MG1 1 48 LEU HG 1.800 . 4.520 3.033 2.202 4.558 0.038 20 0 "[ . 1 . 2]" 1
286 1 46 VAL MG1 1 48 LEU H 1.800 . 4.650 2.078 1.792 4.364 0.008 9 0 "[ . 1 . 2]" 1
287 1 46 VAL MG1 1 51 GLU QB 1.800 . 3.920 2.138 1.915 3.625 . 0 0 "[ . 1 . 2]" 1
288 1 46 VAL MG1 1 51 GLU QG 1.800 . 4.160 3.063 2.232 3.695 . 0 0 "[ . 1 . 2]" 1
289 1 46 VAL H 1 46 VAL HB 1.800 . 4.210 2.532 2.418 3.622 . 0 0 "[ . 1 . 2]" 1
290 1 46 VAL H 1 46 VAL MG2 1.800 . 4.180 2.342 1.870 2.553 . 0 0 "[ . 1 . 2]" 1
291 1 47 LEU HA 1 47 LEU MD2 1.800 . 3.880 2.127 2.107 2.259 . 0 0 "[ . 1 . 2]" 1
292 1 47 LEU HA 1 48 LEU H 1.800 . 3.750 2.934 2.554 3.134 . 0 0 "[ . 1 . 2]" 1
293 1 47 LEU QB 1 47 LEU MD2 1.800 . 4.100 2.248 2.224 2.327 . 0 0 "[ . 1 . 2]" 1
294 1 47 LEU HB3 1 47 LEU MD1 1.800 . 4.410 2.366 2.220 2.429 . 0 0 "[ . 1 . 2]" 1
295 1 47 LEU HB2 1 47 LEU MD1 1.800 . 4.410 2.401 2.285 3.212 . 0 0 "[ . 1 . 2]" 1
296 1 47 LEU H 1 47 LEU MD2 1.800 . 5.520 3.360 2.374 3.752 . 0 0 "[ . 1 . 2]" 1
297 1 47 LEU H 1 47 LEU HG 1.800 . 4.610 2.472 2.080 4.183 . 0 0 "[ . 1 . 2]" 1
298 1 48 LEU HA 1 48 LEU MD2 1.800 . 3.650 2.299 2.102 3.714 0.064 11 0 "[ . 1 . 2]" 1
299 1 48 LEU HA 1 49 VAL H 1.800 . 3.490 2.140 2.112 2.182 . 0 0 "[ . 1 . 2]" 1
300 1 48 LEU QB 1 48 LEU MD2 1.800 . 3.640 2.238 2.087 2.314 . 0 0 "[ . 1 . 2]" 1
301 1 48 LEU QB 1 50 ASP H 1.800 . 5.310 3.112 2.900 3.258 . 0 0 "[ . 1 . 2]" 1
302 1 48 LEU QB 1 51 GLU QB 1.800 . 4.570 2.260 2.155 2.406 . 0 0 "[ . 1 . 2]" 1
303 1 48 LEU QB 1 51 GLU QG 1.800 . 4.090 2.952 2.141 4.154 0.064 10 0 "[ . 1 . 2]" 1
304 1 48 LEU QB 1 51 GLU H 1.800 . 5.000 2.525 2.341 2.779 . 0 0 "[ . 1 . 2]" 1
305 1 48 LEU HB3 1 48 LEU MD1 1.800 . 4.100 2.437 2.247 3.198 . 0 0 "[ . 1 . 2]" 1
306 1 48 LEU HB3 1 49 VAL H 1.800 . 5.180 3.329 3.118 3.524 . 0 0 "[ . 1 . 2]" 1
307 1 48 LEU HB2 1 48 LEU MD1 1.800 . 4.100 2.470 2.222 3.223 . 0 0 "[ . 1 . 2]" 1
308 1 48 LEU HB2 1 49 VAL H 1.800 . 5.180 4.192 4.013 4.378 . 0 0 "[ . 1 . 2]" 1
309 1 48 LEU MD1 1 51 GLU QG 1.800 . 4.130 3.328 2.382 4.284 0.154 20 0 "[ . 1 . 2]" 1
310 1 48 LEU MD2 1 49 VAL H 1.800 . 5.030 3.820 3.506 4.785 . 0 0 "[ . 1 . 2]" 1
311 1 48 LEU H 1 48 LEU QB 1.800 . 3.840 2.487 2.261 2.634 . 0 0 "[ . 1 . 2]" 1
312 1 49 VAL HA 1 49 VAL MG1 1.800 . 3.720 2.336 2.269 2.362 . 0 0 "[ . 1 . 2]" 1
313 1 49 VAL HA 1 49 VAL MG2 1.800 . 3.830 2.414 2.259 3.181 . 0 0 "[ . 1 . 2]" 1
314 1 49 VAL HA 1 52 ALA H 1.800 . 5.000 3.229 2.968 3.517 . 0 0 "[ . 1 . 2]" 1
315 1 49 VAL HB 1 50 ASP H 1.800 . 4.310 2.679 2.525 3.715 . 0 0 "[ . 1 . 2]" 1
316 1 49 VAL MG1 1 50 ASP HA 1.800 . 5.280 3.620 3.347 5.446 0.166 13 0 "[ . 1 . 2]" 1
317 1 49 VAL MG1 1 50 ASP H 1.800 . 5.090 3.450 3.315 4.112 . 0 0 "[ . 1 . 2]" 1
318 1 49 VAL MG2 1 50 ASP H 1.800 . 4.870 3.657 2.003 3.914 . 0 0 "[ . 1 . 2]" 1
319 1 49 VAL H 1 49 VAL HB 1.800 . 3.990 2.584 2.433 3.583 . 0 0 "[ . 1 . 2]" 1
320 1 49 VAL H 1 49 VAL MG1 1.800 . 5.140 3.624 2.362 3.762 . 0 0 "[ . 1 . 2]" 1
321 1 49 VAL H 1 49 VAL MG2 1.800 . 3.990 2.079 1.777 2.200 0.023 19 0 "[ . 1 . 2]" 1
322 1 49 VAL H 1 50 ASP H 1.800 . 4.030 2.656 2.571 2.710 . 0 0 "[ . 1 . 2]" 1
323 1 50 ASP H 1 50 ASP QB 1.800 . 3.770 2.364 2.246 2.694 . 0 0 "[ . 1 . 2]" 1
324 1 50 ASP H 1 51 GLU H 1.800 . 4.270 2.727 2.605 2.812 . 0 0 "[ . 1 . 2]" 1
325 1 50 ASP H 1 52 ALA H 1.800 . 5.360 3.827 3.660 4.033 . 0 0 "[ . 1 . 2]" 1
326 1 51 GLU HA 1 51 GLU QG 1.800 . 3.900 2.594 2.240 2.893 . 0 0 "[ . 1 . 2]" 1
327 1 51 GLU H 1 51 GLU QB 1.800 . 3.850 2.390 2.302 2.472 . 0 0 "[ . 1 . 2]" 1
328 1 51 GLU H 1 51 GLU QG 1.800 . 4.660 2.769 2.286 4.133 . 0 0 "[ . 1 . 2]" 1
329 1 51 GLU H 1 52 ALA H 1.800 . 3.500 2.339 2.091 2.600 . 0 0 "[ . 1 . 2]" 1
330 1 52 ALA HA 1 53 ARG H 1.800 . 3.550 2.276 2.200 2.369 . 0 0 "[ . 1 . 2]" 1
331 1 52 ALA MB 1 53 ARG H 1.800 . 4.220 2.755 2.547 2.947 . 0 0 "[ . 1 . 2]" 1
332 1 53 ARG HA 1 54 ARG H 1.800 . 3.450 2.213 2.130 2.438 . 0 0 "[ . 1 . 2]" 1
333 1 53 ARG QG 1 54 ARG H 1.800 . 4.660 3.582 2.367 4.487 . 0 0 "[ . 1 . 2]" 1
334 1 54 ARG HA 1 54 ARG QD 1.800 . 5.020 3.831 2.290 4.429 . 0 0 "[ . 1 . 2]" 1
335 1 54 ARG HA 1 55 PRO QD 1.800 . 3.500 2.107 2.056 2.196 . 0 0 "[ . 1 . 2]" 1
336 1 54 ARG QB 1 54 ARG QD 1.800 . 3.700 2.273 2.121 2.502 . 0 0 "[ . 1 . 2]" 1
337 1 54 ARG QB 1 55 PRO QD 1.800 . 4.430 2.298 1.974 3.749 . 0 0 "[ . 1 . 2]" 1
338 1 54 ARG H 1 54 ARG QB 1.800 . 3.650 2.484 2.118 3.023 . 0 0 "[ . 1 . 2]" 1
339 1 54 ARG H 1 54 ARG QG 1.800 . 4.960 2.635 1.731 4.010 0.069 14 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 4
_Distance_constraint_stats_list.Viol_count 80
_Distance_constraint_stats_list.Viol_total 101.669
_Distance_constraint_stats_list.Viol_max 0.067
_Distance_constraint_stats_list.Viol_rms 0.0014
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0635
_Distance_constraint_stats_list.Viol_average_violations_only 0.0635
_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 CYS 1.280 0.067 14 0 "[ . 1 . 2]"
1 16 CYS 1.270 0.066 14 0 "[ . 1 . 2]"
1 29 CYS 1.266 0.066 15 0 "[ . 1 . 2]"
1 34 CYS 1.268 0.065 10 0 "[ . 1 . 2]"
2 1 ZN 5.083 0.067 14 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 CYS SG 2 1 ZN ZN 2.300 2.300 2.400 2.236 2.233 2.239 0.067 14 0 "[ . 1 . 2]" 2
2 1 16 CYS SG 2 1 ZN ZN 2.300 2.300 2.400 2.237 2.234 2.240 0.066 14 0 "[ . 1 . 2]" 2
3 1 29 CYS SG 2 1 ZN ZN 2.300 2.300 2.400 2.237 2.234 2.239 0.066 15 0 "[ . 1 . 2]" 2
4 1 34 CYS SG 2 1 ZN ZN 2.300 2.300 2.400 2.237 2.235 2.239 0.065 10 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 6
_Distance_constraint_stats_list.Viol_count 0
_Distance_constraint_stats_list.Viol_total 0.000
_Distance_constraint_stats_list.Viol_max 0.000
_Distance_constraint_stats_list.Viol_rms 0.0000
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0000
_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 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 CYS 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 CYS SG 1 16 CYS SG 3.600 3.600 3.850 3.654 3.642 3.674 . 0 0 "[ . 1 . 2]" 3
2 1 13 CYS SG 1 29 CYS SG 3.600 3.600 3.850 3.646 3.627 3.676 . 0 0 "[ . 1 . 2]" 3
3 1 13 CYS SG 1 34 CYS SG 3.600 3.600 3.850 3.652 3.633 3.671 . 0 0 "[ . 1 . 2]" 3
4 1 16 CYS SG 1 29 CYS SG 3.600 3.600 3.850 3.654 3.640 3.669 . 0 0 "[ . 1 . 2]" 3
5 1 16 CYS SG 1 34 CYS SG 3.600 3.600 3.850 3.653 3.640 3.666 . 0 0 "[ . 1 . 2]" 3
6 1 29 CYS SG 1 34 CYS SG 3.600 3.600 3.850 3.654 3.624 3.667 . 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 24
_Distance_constraint_stats_list.Viol_count 55
_Distance_constraint_stats_list.Viol_total 6.587
_Distance_constraint_stats_list.Viol_max 0.015
_Distance_constraint_stats_list.Viol_rms 0.0023
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0007
_Distance_constraint_stats_list.Viol_average_violations_only 0.0060
_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 19 PRO 0.044 0.011 11 0 "[ . 1 . 2]"
1 21 GLU 0.016 0.006 7 0 "[ . 1 . 2]"
1 23 ARG 0.069 0.014 11 0 "[ . 1 . 2]"
1 26 GLU 0.069 0.014 11 0 "[ . 1 . 2]"
1 27 LEU 0.024 0.012 6 0 "[ . 1 . 2]"
1 28 ILE 0.016 0.006 7 0 "[ . 1 . 2]"
1 29 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 THR 0.044 0.011 11 0 "[ . 1 . 2]"
1 36 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 ALA 0.016 0.008 10 0 "[ . 1 . 2]"
1 38 TYR 0.024 0.012 6 0 "[ . 1 . 2]"
1 41 ARG 0.160 0.015 14 0 "[ . 1 . 2]"
1 44 ILE 0.160 0.015 14 0 "[ . 1 . 2]"
1 53 ARG 0.016 0.008 10 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 21 GLU H 1 28 ILE O 1.700 . 2.300 1.767 1.749 1.815 . 0 0 "[ . 1 . 2]" 4
2 1 21 GLU N 1 28 ILE O 2.700 2.700 3.300 2.724 2.694 2.802 0.006 7 0 "[ . 1 . 2]" 4
3 1 23 ARG H 1 26 GLU O 1.700 . 2.300 1.786 1.746 1.911 . 0 0 "[ . 1 . 2]" 4
4 1 23 ARG N 1 26 GLU O 2.700 2.700 3.300 2.733 2.686 2.784 0.014 11 0 "[ . 1 . 2]" 4
5 1 23 ARG O 1 26 GLU H 1.700 . 2.300 1.774 1.751 1.814 . 0 0 "[ . 1 . 2]" 4
6 1 23 ARG O 1 26 GLU N 2.700 2.700 3.300 2.702 2.691 2.725 0.009 19 0 "[ . 1 . 2]" 4
7 1 27 LEU H 1 38 TYR O 1.700 . 2.300 1.784 1.740 1.862 . 0 0 "[ . 1 . 2]" 4
8 1 27 LEU N 1 38 TYR O 2.700 2.700 3.300 2.746 2.708 2.804 . 0 0 "[ . 1 . 2]" 4
9 1 21 GLU O 1 28 ILE H 1.700 . 2.300 1.760 1.732 1.827 . 0 0 "[ . 1 . 2]" 4
10 1 21 GLU O 1 28 ILE N 2.700 2.700 3.300 2.725 2.700 2.818 . 0 0 "[ . 1 . 2]" 4
11 1 29 CYS H 1 36 LEU O 1.700 . 2.300 1.776 1.746 1.824 . 0 0 "[ . 1 . 2]" 4
12 1 29 CYS N 1 36 LEU O 2.700 2.700 3.300 2.737 2.712 2.792 . 0 0 "[ . 1 . 2]" 4
13 1 19 PRO O 1 30 THR H 1.700 . 2.300 1.837 1.787 1.941 . 0 0 "[ . 1 . 2]" 4
14 1 19 PRO O 1 30 THR N 2.700 2.700 3.300 2.714 2.689 2.759 0.011 11 0 "[ . 1 . 2]" 4
15 1 37 ALA H 1 53 ARG O 1.700 . 2.300 1.780 1.745 1.798 . 0 0 "[ . 1 . 2]" 4
16 1 37 ALA N 1 53 ARG O 2.700 2.700 3.300 2.721 2.692 2.776 0.008 10 0 "[ . 1 . 2]" 4
17 1 27 LEU O 1 38 TYR H 1.700 . 2.300 1.754 1.721 1.803 . 0 0 "[ . 1 . 2]" 4
18 1 27 LEU O 1 38 TYR N 2.700 2.700 3.300 2.712 2.688 2.738 0.012 6 0 "[ . 1 . 2]" 4
19 1 41 ARG H 1 44 ILE O 1.700 . 2.300 1.763 1.734 1.806 . 0 0 "[ . 1 . 2]" 4
20 1 41 ARG N 1 44 ILE O 2.700 2.700 3.300 2.721 2.699 2.753 0.001 19 0 "[ . 1 . 2]" 4
21 1 41 ARG O 1 44 ILE H 1.700 . 2.300 1.788 1.742 1.857 . 0 0 "[ . 1 . 2]" 4
22 1 41 ARG O 1 44 ILE N 2.700 2.700 3.300 2.692 2.685 2.700 0.015 14 0 "[ . 1 . 2]" 4
23 1 37 ALA O 1 53 ARG H 1.700 . 2.300 1.765 1.734 1.806 . 0 0 "[ . 1 . 2]" 4
24 1 37 ALA O 1 53 ARG N 2.700 2.700 3.300 2.721 2.695 2.771 0.005 16 0 "[ . 1 . 2]" 4
stop_
save_
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