NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
637292 |
6o3s   |
30580 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6o3s
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 386
_Distance_constraint_stats_list.Viol_count 231
_Distance_constraint_stats_list.Viol_total 213.693
_Distance_constraint_stats_list.Viol_max 0.198
_Distance_constraint_stats_list.Viol_rms 0.0106
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0014
_Distance_constraint_stats_list.Viol_average_violations_only 0.0463
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 ARG 0.113 0.081 20 0 "[ . 1 . 2]"
1 3 GLY 0.113 0.081 20 0 "[ . 1 . 2]"
1 4 SER 0.052 0.037 13 0 "[ . 1 . 2]"
1 5 PRO 0.889 0.105 1 0 "[ . 1 . 2]"
1 6 ARG 1.636 0.198 4 0 "[ . 1 . 2]"
1 7 THR 1.004 0.198 4 0 "[ . 1 . 2]"
1 8 GLU 0.533 0.076 11 0 "[ . 1 . 2]"
1 9 TYR 5.357 0.187 4 0 "[ . 1 . 2]"
1 10 GLU 0.939 0.081 2 0 "[ . 1 . 2]"
1 11 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 ARG 0.081 0.069 10 0 "[ . 1 . 2]"
1 14 VAL 0.510 0.123 5 0 "[ . 1 . 2]"
1 15 ARG 0.338 0.123 5 0 "[ . 1 . 2]"
1 16 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 GLN 0.165 0.071 18 0 "[ . 1 . 2]"
1 18 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 GLU 0.381 0.103 6 0 "[ . 1 . 2]"
1 21 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 GLU 0.244 0.062 11 0 "[ . 1 . 2]"
1 25 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 CYS 1.080 0.103 6 0 "[ . 1 . 2]"
1 30 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 CYS 0.191 0.075 16 0 "[ . 1 . 2]"
1 34 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 LYS 0.219 0.135 6 0 "[ . 1 . 2]"
1 36 ARG 0.411 0.109 19 0 "[ . 1 . 2]"
1 37 LEU 1.983 0.187 4 0 "[ . 1 . 2]"
1 38 ARG 0.011 0.011 14 0 "[ . 1 . 2]"
1 39 GLU 0.434 0.072 13 0 "[ . 1 . 2]"
1 40 ARG 0.048 0.048 15 0 "[ . 1 . 2]"
1 41 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 GLY 0.376 0.072 13 0 "[ . 1 . 2]"
1 43 ARG 0.014 0.014 9 0 "[ . 1 . 2]"
1 44 ARG 0.121 0.048 16 0 "[ . 1 . 2]"
1 45 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 ASP 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 7 THR H 1 7 THR HB 2.740 . 3.680 3.195 2.436 3.627 . 0 0 "[ . 1 . 2]" 1
2 1 7 THR H 1 7 THR MG 2.635 . 3.470 2.445 2.076 3.550 0.080 1 0 "[ . 1 . 2]" 1
3 1 6 ARG H 1 6 ARG QG 3.175 . 4.550 2.898 2.084 4.196 . 0 0 "[ . 1 . 2]" 1
4 1 6 ARG HA 1 6 ARG QD 3.195 . 4.590 3.665 1.976 4.513 . 0 0 "[ . 1 . 2]" 1
5 1 36 ARG HA 1 36 ARG HD3 3.400 . 5.000 4.524 3.587 4.914 . 0 0 "[ . 1 . 2]" 1
6 1 6 ARG HA 1 6 ARG QG 2.945 . 4.090 2.843 2.323 3.366 . 0 0 "[ . 1 . 2]" 1
7 1 6 ARG HB2 1 6 ARG QD 2.995 . 4.190 2.631 2.302 3.349 . 0 0 "[ . 1 . 2]" 1
8 1 7 THR HA 1 7 THR MG 2.535 . 3.270 2.504 2.183 3.246 . 0 0 "[ . 1 . 2]" 1
9 1 7 THR MG 1 8 GLU H 3.085 . 4.370 3.549 2.142 4.139 . 0 0 "[ . 1 . 2]" 1
10 1 8 GLU H 1 8 GLU HB3 2.700 . 3.600 3.093 2.350 3.609 0.009 16 0 "[ . 1 . 2]" 1
11 1 8 GLU H 1 8 GLU HB2 2.700 . 3.600 2.479 2.380 2.688 . 0 0 "[ . 1 . 2]" 1
12 1 23 VAL H 1 23 VAL HB 2.830 . 3.860 2.578 2.530 2.649 . 0 0 "[ . 1 . 2]" 1
13 1 8 GLU H 1 8 GLU QG 2.915 . 4.030 3.002 2.094 4.014 . 0 0 "[ . 1 . 2]" 1
14 1 7 THR MG 1 9 TYR H 3.650 . 5.500 5.178 4.366 5.537 0.037 11 0 "[ . 1 . 2]" 1
15 1 9 TYR H 1 9 TYR HB2 2.755 . 3.710 2.769 2.464 3.569 . 0 0 "[ . 1 . 2]" 1
16 1 9 TYR H 1 9 TYR HB3 2.755 . 3.710 2.063 1.990 2.291 . 0 0 "[ . 1 . 2]" 1
17 1 9 TYR HA 1 9 TYR QD 2.810 . 3.820 3.033 2.813 3.631 . 0 0 "[ . 1 . 2]" 1
18 1 9 TYR HA 1 9 TYR QE 3.625 . 5.450 4.965 4.766 5.507 0.057 16 0 "[ . 1 . 2]" 1
19 1 9 TYR HA 1 12 CYS HB3 3.160 . 4.520 2.891 2.562 3.390 . 0 0 "[ . 1 . 2]" 1
20 1 9 TYR HA 1 12 CYS H 3.320 . 4.840 3.608 3.067 3.941 . 0 0 "[ . 1 . 2]" 1
21 1 12 CYS H 1 12 CYS HB2 2.610 . 3.420 2.490 2.310 2.688 . 0 0 "[ . 1 . 2]" 1
22 1 12 CYS H 1 12 CYS HB3 2.610 . 3.420 2.491 2.342 2.667 . 0 0 "[ . 1 . 2]" 1
23 1 12 CYS HB3 1 13 ARG H 3.025 . 4.250 2.597 2.455 2.764 . 0 0 "[ . 1 . 2]" 1
24 1 12 CYS HB2 1 13 ARG H 3.025 . 4.250 3.871 3.761 4.018 . 0 0 "[ . 1 . 2]" 1
25 1 13 ARG H 1 13 ARG HB3 2.755 . 3.710 3.538 2.317 3.659 . 0 0 "[ . 1 . 2]" 1
26 1 13 ARG H 1 13 ARG HB2 2.755 . 3.710 2.490 2.322 2.634 . 0 0 "[ . 1 . 2]" 1
27 1 13 ARG H 1 13 ARG HD2 3.650 . 5.500 4.672 3.938 4.972 . 0 0 "[ . 1 . 2]" 1
28 1 13 ARG H 1 13 ARG HD3 3.650 . 5.500 4.267 3.790 4.889 . 0 0 "[ . 1 . 2]" 1
29 1 11 ALA MB 1 12 CYS H 2.645 . 3.490 2.567 2.392 2.735 . 0 0 "[ . 1 . 2]" 1
30 1 11 ALA H 1 11 ALA MB 2.520 . 3.240 2.235 2.207 2.258 . 0 0 "[ . 1 . 2]" 1
31 1 8 GLU H 1 9 TYR H 2.955 . 4.110 2.589 2.411 2.782 . 0 0 "[ . 1 . 2]" 1
32 1 9 TYR H 1 10 GLU H 3.030 . 4.260 2.630 2.443 2.765 . 0 0 "[ . 1 . 2]" 1
33 1 7 THR H 1 8 GLU H 2.615 . 3.430 2.651 2.457 3.074 . 0 0 "[ . 1 . 2]" 1
34 1 10 GLU H 1 11 ALA H 2.795 . 3.790 2.689 2.504 2.923 . 0 0 "[ . 1 . 2]" 1
35 1 6 ARG H 1 7 THR H 2.775 . 3.750 2.677 1.994 3.694 . 0 0 "[ . 1 . 2]" 1
36 1 9 TYR H 1 9 TYR QD 2.740 . 3.680 3.726 2.578 3.842 0.162 10 0 "[ . 1 . 2]" 1
37 1 9 TYR QD 1 10 GLU H 2.945 . 4.090 2.716 2.394 3.165 . 0 0 "[ . 1 . 2]" 1
38 1 14 VAL H 1 14 VAL MG2 2.800 . 3.800 2.328 1.926 3.790 . 0 0 "[ . 1 . 2]" 1
39 1 14 VAL H 1 14 VAL MG1 2.800 . 3.800 3.543 2.154 3.806 0.006 13 0 "[ . 1 . 2]" 1
40 1 14 VAL H 1 14 VAL HB 2.455 . 3.110 2.560 2.414 2.681 . 0 0 "[ . 1 . 2]" 1
41 1 13 ARG H 1 14 VAL H 2.640 . 3.480 2.623 2.418 2.746 . 0 0 "[ . 1 . 2]" 1
42 1 12 CYS H 1 13 ARG H 2.790 . 3.780 2.691 2.579 2.819 . 0 0 "[ . 1 . 2]" 1
43 1 11 ALA H 1 12 CYS H 2.610 . 3.420 2.646 2.551 2.757 . 0 0 "[ . 1 . 2]" 1
44 1 18 VAL MG1 1 19 ALA H 3.215 . 4.630 2.944 2.167 3.624 . 0 0 "[ . 1 . 2]" 1
45 1 18 VAL MG2 1 19 ALA H 3.215 . 4.630 3.719 3.531 3.874 . 0 0 "[ . 1 . 2]" 1
46 1 18 VAL H 1 18 VAL MG1 3.060 . 4.320 3.186 2.001 3.835 . 0 0 "[ . 1 . 2]" 1
47 1 18 VAL H 1 18 VAL MG2 3.060 . 4.320 2.842 2.161 3.867 . 0 0 "[ . 1 . 2]" 1
48 1 18 VAL H 1 18 VAL HB 2.625 . 3.450 2.636 2.480 2.864 . 0 0 "[ . 1 . 2]" 1
49 1 18 VAL HB 1 19 ALA H 2.995 . 4.190 3.009 2.253 4.128 . 0 0 "[ . 1 . 2]" 1
50 1 19 ALA H 1 19 ALA MB 2.415 . 3.030 2.264 2.211 2.297 . 0 0 "[ . 1 . 2]" 1
51 1 18 VAL HA 1 18 VAL MG1 2.580 . 3.360 2.702 2.386 3.244 . 0 0 "[ . 1 . 2]" 1
52 1 18 VAL HA 1 18 VAL MG2 2.580 . 3.360 2.399 2.362 2.453 . 0 0 "[ . 1 . 2]" 1
53 1 14 VAL HA 1 14 VAL MG1 2.545 . 3.290 2.551 2.376 3.248 . 0 0 "[ . 1 . 2]" 1
54 1 14 VAL HA 1 14 VAL MG2 2.545 . 3.290 2.394 2.326 2.480 . 0 0 "[ . 1 . 2]" 1
55 1 18 VAL H 1 19 ALA H 2.540 . 3.280 2.472 2.301 2.699 . 0 0 "[ . 1 . 2]" 1
56 1 19 ALA H 1 20 GLU H 2.610 . 3.420 2.659 2.534 2.849 . 0 0 "[ . 1 . 2]" 1
57 1 13 ARG HB2 1 14 VAL H 3.210 . 4.620 2.552 2.302 3.917 . 0 0 "[ . 1 . 2]" 1
58 1 13 ARG HB3 1 14 VAL H 3.210 . 4.620 3.465 2.554 3.715 . 0 0 "[ . 1 . 2]" 1
59 1 21 HIS H 1 21 HIS HB2 2.775 . 3.750 3.159 3.030 3.295 . 0 0 "[ . 1 . 2]" 1
60 1 21 HIS H 1 21 HIS HB3 2.775 . 3.750 3.630 3.521 3.705 . 0 0 "[ . 1 . 2]" 1
61 1 20 GLU HG2 1 21 HIS H 3.650 . 5.500 4.082 3.907 4.282 . 0 0 "[ . 1 . 2]" 1
62 1 23 VAL H 1 23 VAL MG1 2.850 . 3.900 3.777 3.751 3.809 . 0 0 "[ . 1 . 2]" 1
63 1 23 VAL H 1 23 VAL MG2 2.850 . 3.900 2.032 1.924 2.152 . 0 0 "[ . 1 . 2]" 1
64 1 23 VAL MG2 1 24 GLU H 2.990 . 4.180 3.771 3.657 3.941 . 0 0 "[ . 1 . 2]" 1
65 1 23 VAL MG1 1 24 GLU H 2.990 . 4.180 3.411 3.162 3.762 . 0 0 "[ . 1 . 2]" 1
66 1 23 VAL HB 1 24 GLU H 2.440 . 3.080 2.532 2.298 2.869 . 0 0 "[ . 1 . 2]" 1
67 1 23 VAL HA 1 23 VAL MG1 2.690 . 3.580 2.412 2.363 2.449 . 0 0 "[ . 1 . 2]" 1
68 1 23 VAL HA 1 23 VAL MG2 2.690 . 3.580 2.407 2.339 2.466 . 0 0 "[ . 1 . 2]" 1
69 1 23 VAL H 1 24 GLU H 2.815 . 3.830 2.726 2.540 2.850 . 0 0 "[ . 1 . 2]" 1
70 1 24 GLU H 1 24 GLU QB 2.575 . 3.350 2.417 2.144 2.696 . 0 0 "[ . 1 . 2]" 1
71 1 24 GLU H 1 24 GLU QG 2.860 . 3.920 3.048 2.113 3.982 0.062 11 0 "[ . 1 . 2]" 1
72 1 24 GLU HA 1 24 GLU QG 2.925 . 4.050 2.706 2.425 3.372 . 0 0 "[ . 1 . 2]" 1
73 1 32 VAL HA 1 32 VAL MG2 2.605 . 3.410 2.386 2.321 2.473 . 0 0 "[ . 1 . 2]" 1
74 1 32 VAL MG2 1 33 CYS H 3.650 . 5.500 3.809 3.613 4.017 . 0 0 "[ . 1 . 2]" 1
75 1 32 VAL MG1 1 33 CYS H 3.650 . 5.500 3.310 2.175 3.554 . 0 0 "[ . 1 . 2]" 1
76 1 32 VAL HA 1 32 VAL MG1 2.605 . 3.410 2.475 2.383 3.247 . 0 0 "[ . 1 . 2]" 1
77 1 32 VAL HB 1 33 CYS H 2.920 . 4.040 2.626 2.266 4.030 . 0 0 "[ . 1 . 2]" 1
78 1 33 CYS H 1 33 CYS HB2 2.975 . 4.150 2.524 2.397 2.701 . 0 0 "[ . 1 . 2]" 1
79 1 33 CYS H 1 33 CYS HB3 2.975 . 4.150 3.608 3.575 3.658 . 0 0 "[ . 1 . 2]" 1
80 1 33 CYS HB3 1 34 GLU H 3.125 . 4.450 3.913 3.634 4.120 . 0 0 "[ . 1 . 2]" 1
81 1 33 CYS HB2 1 34 GLU H 3.125 . 4.450 2.945 2.399 3.320 . 0 0 "[ . 1 . 2]" 1
82 1 22 GLY HA2 1 23 VAL H 2.550 . 3.300 2.213 2.106 2.334 . 0 0 "[ . 1 . 2]" 1
83 1 32 VAL H 1 32 VAL HB 2.615 . 3.430 2.569 2.472 2.797 . 0 0 "[ . 1 . 2]" 1
84 1 37 LEU H 1 37 LEU HG 3.365 . 4.930 4.490 4.313 4.597 . 0 0 "[ . 1 . 2]" 1
85 1 37 LEU H 1 37 LEU HB3 2.905 . 4.010 2.528 2.326 2.842 . 0 0 "[ . 1 . 2]" 1
86 1 36 ARG HB3 1 37 LEU H 2.845 . 3.890 3.600 3.338 3.851 . 0 0 "[ . 1 . 2]" 1
87 1 37 LEU H 1 37 LEU HB2 2.905 . 4.010 2.396 2.130 2.644 . 0 0 "[ . 1 . 2]" 1
88 1 37 LEU H 1 37 LEU MD1 3.650 . 5.500 4.201 4.072 4.317 . 0 0 "[ . 1 . 2]" 1
89 1 37 LEU H 1 37 LEU MD2 3.650 . 5.500 4.071 3.641 4.290 . 0 0 "[ . 1 . 2]" 1
90 1 37 LEU HA 1 37 LEU MD1 2.915 . 4.030 2.932 2.118 3.925 . 0 0 "[ . 1 . 2]" 1
91 1 37 LEU HA 1 37 LEU MD2 2.915 . 4.030 2.577 1.951 3.974 . 0 0 "[ . 1 . 2]" 1
92 1 37 LEU HB2 1 37 LEU MD1 2.765 . 3.730 2.948 2.293 3.222 . 0 0 "[ . 1 . 2]" 1
93 1 37 LEU HB2 1 37 LEU MD2 2.765 . 3.730 2.492 2.375 3.194 . 0 0 "[ . 1 . 2]" 1
94 1 37 LEU HB3 1 37 LEU MD1 2.765 . 3.730 2.546 2.280 3.214 . 0 0 "[ . 1 . 2]" 1
95 1 37 LEU HB3 1 37 LEU MD2 2.765 . 3.730 2.943 2.238 3.212 . 0 0 "[ . 1 . 2]" 1
96 1 38 ARG H 1 38 ARG HB2 2.805 . 3.810 2.442 2.199 2.562 . 0 0 "[ . 1 . 2]" 1
97 1 38 ARG H 1 38 ARG QG 3.160 . 4.520 3.478 2.215 4.048 . 0 0 "[ . 1 . 2]" 1
98 1 38 ARG H 1 38 ARG QD 3.650 . 5.500 4.217 3.194 4.701 . 0 0 "[ . 1 . 2]" 1
99 1 37 LEU H 1 38 ARG H 2.735 . 3.670 2.644 2.540 2.896 . 0 0 "[ . 1 . 2]" 1
100 1 36 ARG H 1 36 ARG HB2 2.225 . 2.650 2.485 2.298 2.645 . 0 0 "[ . 1 . 2]" 1
101 1 36 ARG H 1 36 ARG HB3 2.730 . 3.660 3.614 3.562 3.646 . 0 0 "[ . 1 . 2]" 1
102 1 36 ARG H 1 36 ARG QG 2.675 . 3.550 2.316 2.036 2.565 . 0 0 "[ . 1 . 2]" 1
103 1 36 ARG H 1 37 LEU H 2.745 . 3.690 2.684 2.497 2.844 . 0 0 "[ . 1 . 2]" 1
104 1 46 VAL H 1 46 VAL MG1 3.340 . 4.880 2.854 2.037 4.058 . 0 0 "[ . 1 . 2]" 1
105 1 46 VAL H 1 46 VAL MG2 3.340 . 4.880 2.712 1.925 3.964 . 0 0 "[ . 1 . 2]" 1
106 1 24 GLU QB 1 25 ARG H 2.945 . 4.090 2.666 2.201 3.645 . 0 0 "[ . 1 . 2]" 1
107 1 25 ARG H 1 25 ARG HB3 2.860 . 3.920 3.608 3.573 3.670 . 0 0 "[ . 1 . 2]" 1
108 1 25 ARG H 1 25 ARG HB2 2.860 . 3.920 2.471 2.356 2.565 . 0 0 "[ . 1 . 2]" 1
109 1 25 ARG H 1 25 ARG HD3 3.650 . 5.500 4.449 3.434 5.036 . 0 0 "[ . 1 . 2]" 1
110 1 25 ARG HA 1 25 ARG HD2 3.650 . 5.500 3.851 2.110 4.823 . 0 0 "[ . 1 . 2]" 1
111 1 25 ARG HA 1 25 ARG HG3 2.850 . 3.900 3.317 2.854 3.809 . 0 0 "[ . 1 . 2]" 1
112 1 24 GLU H 1 25 ARG H 2.585 . 3.370 2.620 2.431 2.866 . 0 0 "[ . 1 . 2]" 1
113 1 10 GLU H 1 10 GLU QB 2.820 . 3.840 2.225 2.113 2.495 . 0 0 "[ . 1 . 2]" 1
114 1 26 GLN H 1 26 GLN QB 2.955 . 4.110 2.235 2.171 2.414 . 0 0 "[ . 1 . 2]" 1
115 1 10 GLU H 1 10 GLU QG 3.145 . 4.490 3.791 2.199 4.049 . 0 0 "[ . 1 . 2]" 1
116 1 26 GLN H 1 26 GLN QG 3.260 . 4.720 3.826 2.396 4.060 . 0 0 "[ . 1 . 2]" 1
117 1 42 GLY QA 1 44 ARG H 3.435 . 5.070 3.760 3.345 4.269 . 0 0 "[ . 1 . 2]" 1
118 1 25 ARG H 1 26 GLN H 2.550 . 3.300 2.581 2.402 2.792 . 0 0 "[ . 1 . 2]" 1
119 1 26 GLN H 1 27 ARG H 2.765 . 3.730 2.631 2.507 2.783 . 0 0 "[ . 1 . 2]" 1
120 1 27 ARG H 1 27 ARG QG 3.130 . 4.460 3.286 2.138 4.075 . 0 0 "[ . 1 . 2]" 1
121 1 27 ARG H 1 27 ARG HB3 2.930 . 4.060 2.955 2.423 3.642 . 0 0 "[ . 1 . 2]" 1
122 1 27 ARG H 1 27 ARG HB2 2.930 . 4.060 2.505 2.417 2.575 . 0 0 "[ . 1 . 2]" 1
123 1 27 ARG H 1 27 ARG HA 2.370 . 2.940 2.808 2.777 2.841 . 0 0 "[ . 1 . 2]" 1
124 1 27 ARG HA 1 27 ARG QD 3.650 . 5.500 3.815 1.961 4.273 . 0 0 "[ . 1 . 2]" 1
125 1 6 ARG H 1 6 ARG QD 3.555 . 5.310 4.135 3.317 5.203 . 0 0 "[ . 1 . 2]" 1
126 1 27 ARG H 1 27 ARG QD 3.650 . 5.500 4.215 3.435 4.719 . 0 0 "[ . 1 . 2]" 1
127 1 27 ARG QD 1 28 ARG H 3.650 . 5.500 4.767 4.374 5.411 . 0 0 "[ . 1 . 2]" 1
128 1 28 ARG H 1 28 ARG QD 3.650 . 5.500 4.227 3.348 4.802 . 0 0 "[ . 1 . 2]" 1
129 1 28 ARG H 1 28 ARG QG 3.305 . 4.810 3.476 2.088 4.061 . 0 0 "[ . 1 . 2]" 1
130 1 28 ARG HA 1 28 ARG QG 2.990 . 4.180 2.643 2.422 3.120 . 0 0 "[ . 1 . 2]" 1
131 1 27 ARG H 1 28 ARG H 2.775 . 3.750 2.651 2.510 2.791 . 0 0 "[ . 1 . 2]" 1
132 1 29 CYS H 1 29 CYS HB2 2.655 . 3.510 2.373 2.216 2.478 . 0 0 "[ . 1 . 2]" 1
133 1 29 CYS H 1 29 CYS HB3 2.655 . 3.510 3.545 3.507 3.561 0.051 2 0 "[ . 1 . 2]" 1
134 1 29 CYS HB3 1 30 GLN H 2.950 . 4.100 3.583 3.106 3.935 . 0 0 "[ . 1 . 2]" 1
135 1 29 CYS HB2 1 30 GLN H 2.950 . 4.100 2.735 2.387 3.202 . 0 0 "[ . 1 . 2]" 1
136 1 30 GLN H 1 30 GLN QB 2.680 . 3.560 2.281 2.145 2.537 . 0 0 "[ . 1 . 2]" 1
137 1 30 GLN H 1 30 GLN QG 3.000 . 4.200 3.621 2.165 4.045 . 0 0 "[ . 1 . 2]" 1
138 1 28 ARG H 1 29 CYS H 2.765 . 3.730 2.766 2.617 3.005 . 0 0 "[ . 1 . 2]" 1
139 1 29 CYS H 1 30 GLN H 2.730 . 3.660 2.719 2.552 2.940 . 0 0 "[ . 1 . 2]" 1
140 1 31 GLN H 1 31 GLN QG 3.290 . 4.780 3.541 2.025 4.073 . 0 0 "[ . 1 . 2]" 1
141 1 31 GLN H 1 31 GLN HB2 2.930 . 4.060 2.529 2.368 2.685 . 0 0 "[ . 1 . 2]" 1
142 1 31 GLN H 1 31 GLN HB3 2.930 . 4.060 2.784 2.413 3.627 . 0 0 "[ . 1 . 2]" 1
143 1 30 GLN H 1 31 GLN H 2.595 . 3.390 2.743 2.602 2.872 . 0 0 "[ . 1 . 2]" 1
144 1 36 ARG HB2 1 37 LEU H 2.770 . 3.740 2.666 2.447 2.921 . 0 0 "[ . 1 . 2]" 1
145 1 31 GLN H 1 32 VAL H 2.815 . 3.830 2.644 2.433 2.867 . 0 0 "[ . 1 . 2]" 1
146 1 21 HIS H 1 22 GLY H 3.195 . 4.590 3.396 3.037 3.573 . 0 0 "[ . 1 . 2]" 1
147 1 20 GLU H 1 21 HIS H 3.650 . 5.500 2.469 2.218 2.701 . 0 0 "[ . 1 . 2]" 1
148 1 45 GLU H 1 45 GLU QG 3.650 . 5.500 3.057 1.996 4.104 . 0 0 "[ . 1 . 2]" 1
149 1 45 GLU HA 1 46 VAL H 2.530 . 3.260 2.287 2.065 2.909 . 0 0 "[ . 1 . 2]" 1
150 1 44 ARG H 1 44 ARG HB2 2.775 . 3.750 2.713 2.425 3.723 . 0 0 "[ . 1 . 2]" 1
151 1 44 ARG H 1 44 ARG HB3 2.775 . 3.750 3.189 2.380 3.778 0.028 12 0 "[ . 1 . 2]" 1
152 1 44 ARG H 1 44 ARG QG 2.920 . 4.040 3.269 2.197 4.088 0.048 16 0 "[ . 1 . 2]" 1
153 1 44 ARG HA 1 44 ARG QD 3.650 . 5.500 3.812 1.996 4.506 . 0 0 "[ . 1 . 2]" 1
154 1 44 ARG HA 1 44 ARG QG 2.885 . 3.970 2.556 2.318 3.382 . 0 0 "[ . 1 . 2]" 1
155 1 6 ARG HB3 1 6 ARG QD 2.995 . 4.190 2.663 2.361 3.532 . 0 0 "[ . 1 . 2]" 1
156 1 44 ARG HB2 1 45 GLU H 3.650 . 5.500 3.763 2.184 4.515 . 0 0 "[ . 1 . 2]" 1
157 1 44 ARG QG 1 45 GLU H 3.650 . 5.500 3.702 2.212 4.542 . 0 0 "[ . 1 . 2]" 1
158 1 44 ARG HB3 1 45 GLU H 3.650 . 5.500 3.226 2.097 4.512 . 0 0 "[ . 1 . 2]" 1
159 1 16 CYS HB3 1 17 GLN H 3.555 . 5.310 3.870 3.612 4.137 . 0 0 "[ . 1 . 2]" 1
160 1 16 CYS HB2 1 17 GLN H 3.555 . 5.310 3.105 2.870 3.354 . 0 0 "[ . 1 . 2]" 1
161 1 17 GLN H 1 17 GLN QG 3.415 . 5.030 3.301 2.152 4.062 . 0 0 "[ . 1 . 2]" 1
162 1 17 GLN HA 1 17 GLN QG 2.695 . 3.590 2.629 2.358 3.358 . 0 0 "[ . 1 . 2]" 1
163 1 16 CYS H 1 17 GLN H 2.895 . 3.990 2.624 2.535 2.796 . 0 0 "[ . 1 . 2]" 1
164 1 17 GLN H 1 18 VAL H 2.700 . 3.600 2.568 2.371 2.639 . 0 0 "[ . 1 . 2]" 1
165 1 14 VAL HA 1 17 GLN H 3.650 . 5.500 3.236 2.849 3.555 . 0 0 "[ . 1 . 2]" 1
166 1 2 ARG H 1 2 ARG QD 3.650 . 5.500 4.201 2.516 5.382 . 0 0 "[ . 1 . 2]" 1
167 1 2 ARG H 1 2 ARG QG 3.455 . 5.110 3.011 2.067 4.343 . 0 0 "[ . 1 . 2]" 1
168 1 2 ARG HA 1 3 GLY H 2.500 . 3.200 2.378 2.064 2.614 . 0 0 "[ . 1 . 2]" 1
169 1 19 ALA MB 1 20 GLU H 3.040 . 4.280 2.451 2.243 2.698 . 0 0 "[ . 1 . 2]" 1
170 1 42 GLY H 1 42 GLY QA 2.370 . 2.940 2.200 2.171 2.238 . 0 0 "[ . 1 . 2]" 1
171 1 8 GLU QG 1 9 TYR H 3.625 . 5.450 3.753 3.344 4.134 . 0 0 "[ . 1 . 2]" 1
172 1 14 VAL HB 1 15 ARG H 2.765 . 3.730 2.823 2.441 3.853 0.123 5 0 "[ . 1 . 2]" 1
173 1 41 GLU HA 1 41 GLU HG2 2.935 . 4.070 3.105 2.454 3.919 . 0 0 "[ . 1 . 2]" 1
174 1 41 GLU HA 1 41 GLU HG3 2.935 . 4.070 3.575 3.114 3.811 . 0 0 "[ . 1 . 2]" 1
175 1 41 GLU H 1 42 GLY H 2.530 . 3.260 2.536 2.373 2.779 . 0 0 "[ . 1 . 2]" 1
176 1 42 GLY QA 1 43 ARG H 2.515 . 3.230 2.783 2.625 2.889 . 0 0 "[ . 1 . 2]" 1
177 1 43 ARG H 1 43 ARG QD 3.365 . 4.930 4.143 3.178 4.705 . 0 0 "[ . 1 . 2]" 1
178 1 38 ARG H 1 38 ARG HB3 2.805 . 3.810 2.876 2.467 3.632 . 0 0 "[ . 1 . 2]" 1
179 1 43 ARG H 1 43 ARG QG 2.970 . 4.140 3.211 2.095 4.099 . 0 0 "[ . 1 . 2]" 1
180 1 2 ARG HA 1 2 ARG QD 3.515 . 5.230 3.923 1.975 4.559 . 0 0 "[ . 1 . 2]" 1
181 1 43 ARG HA 1 43 ARG QD 3.650 . 5.500 3.526 1.973 4.496 . 0 0 "[ . 1 . 2]" 1
182 1 43 ARG HA 1 43 ARG QG 2.770 . 3.740 2.665 2.325 3.352 . 0 0 "[ . 1 . 2]" 1
183 1 43 ARG H 1 44 ARG H 2.810 . 3.820 2.414 2.124 2.637 . 0 0 "[ . 1 . 2]" 1
184 1 34 GLU H 1 34 GLU QG 2.950 . 4.100 3.847 2.048 4.048 . 0 0 "[ . 1 . 2]" 1
185 1 34 GLU H 1 34 GLU QB 2.835 . 3.870 2.255 2.146 2.677 . 0 0 "[ . 1 . 2]" 1
186 1 34 GLU HA 1 34 GLU QG 3.025 . 4.250 2.571 2.239 3.334 . 0 0 "[ . 1 . 2]" 1
187 1 35 LYS H 1 35 LYS QE 3.650 . 5.500 4.449 3.847 5.635 0.135 6 0 "[ . 1 . 2]" 1
188 1 35 LYS HA 1 35 LYS QE 3.650 . 5.500 4.128 2.858 4.639 . 0 0 "[ . 1 . 2]" 1
189 1 33 CYS H 1 34 GLU H 3.000 . 4.200 2.637 2.532 2.866 . 0 0 "[ . 1 . 2]" 1
190 1 6 ARG QD 1 7 THR H 3.650 . 5.500 4.761 4.236 5.502 0.002 4 0 "[ . 1 . 2]" 1
191 1 40 ARG H 1 40 ARG QD 3.650 . 5.500 4.223 3.193 4.776 . 0 0 "[ . 1 . 2]" 1
192 1 28 ARG HA 1 28 ARG QD 3.170 . 4.540 3.388 1.952 4.251 . 0 0 "[ . 1 . 2]" 1
193 1 40 ARG HA 1 40 ARG QD 3.280 . 4.760 3.332 2.109 4.282 . 0 0 "[ . 1 . 2]" 1
194 1 39 GLU H 1 39 GLU HG2 2.795 . 3.790 2.934 2.032 3.616 . 0 0 "[ . 1 . 2]" 1
195 1 39 GLU HA 1 39 GLU HG2 2.910 . 4.020 2.869 2.450 3.749 . 0 0 "[ . 1 . 2]" 1
196 1 39 GLU HA 1 39 GLU HG3 2.910 . 4.020 3.409 3.001 3.812 . 0 0 "[ . 1 . 2]" 1
197 1 39 GLU H 1 39 GLU HG3 2.795 . 3.790 2.896 2.170 3.813 0.023 7 0 "[ . 1 . 2]" 1
198 1 39 GLU HB3 1 42 GLY H 3.650 . 5.500 5.279 4.860 5.541 0.041 11 0 "[ . 1 . 2]" 1
199 1 39 GLU HB2 1 42 GLY H 3.650 . 5.500 5.390 5.168 5.567 0.067 7 0 "[ . 1 . 2]" 1
200 1 14 VAL H 1 15 ARG H 2.725 . 3.650 2.663 2.495 2.770 . 0 0 "[ . 1 . 2]" 1
201 1 40 ARG H 1 41 GLU H 2.910 . 4.020 2.682 2.499 2.931 . 0 0 "[ . 1 . 2]" 1
202 1 15 ARG H 1 15 ARG QD 3.650 . 5.500 4.469 3.541 4.700 . 0 0 "[ . 1 . 2]" 1
203 1 40 ARG QD 1 41 GLU H 3.650 . 5.500 4.618 4.193 5.017 . 0 0 "[ . 1 . 2]" 1
204 1 36 ARG H 1 36 ARG HD2 3.505 . 5.210 4.632 3.674 4.958 . 0 0 "[ . 1 . 2]" 1
205 1 36 ARG HA 1 36 ARG HD2 3.400 . 5.000 4.331 2.028 4.844 . 0 0 "[ . 1 . 2]" 1
206 1 38 ARG HA 1 38 ARG QD 3.235 . 4.670 3.303 1.958 4.242 . 0 0 "[ . 1 . 2]" 1
207 1 38 ARG HB2 1 38 ARG QD 2.830 . 3.860 2.808 2.285 3.522 . 0 0 "[ . 1 . 2]" 1
208 1 38 ARG HB3 1 38 ARG QD 2.830 . 3.860 2.790 2.333 3.534 . 0 0 "[ . 1 . 2]" 1
209 1 5 PRO QD 1 6 ARG H 3.065 . 4.330 2.749 1.903 3.383 . 0 0 "[ . 1 . 2]" 1
210 1 5 PRO HG2 1 6 ARG H 3.025 . 4.250 2.908 2.239 3.891 . 0 0 "[ . 1 . 2]" 1
211 1 5 PRO HG3 1 6 ARG H 3.025 . 4.250 4.206 3.826 4.353 0.103 1 0 "[ . 1 . 2]" 1
212 1 1 PRO QG 1 2 ARG H 3.650 . 5.500 4.244 2.962 4.887 . 0 0 "[ . 1 . 2]" 1
213 1 9 TYR HB3 1 10 GLU H 3.650 . 5.500 2.697 2.376 3.764 . 0 0 "[ . 1 . 2]" 1
214 1 9 TYR HB2 1 10 GLU H 3.650 . 5.500 3.976 3.787 4.274 . 0 0 "[ . 1 . 2]" 1
215 1 36 ARG HB2 1 36 ARG HE 2.830 . 3.860 3.081 1.918 3.969 0.109 19 0 "[ . 1 . 2]" 1
216 1 36 ARG HB3 1 36 ARG HE 3.285 . 4.770 2.472 1.819 4.201 . 0 0 "[ . 1 . 2]" 1
217 1 36 ARG H 1 36 ARG HD3 3.505 . 5.210 4.318 3.821 4.973 . 0 0 "[ . 1 . 2]" 1
218 1 9 TYR QD 1 37 LEU MD2 2.970 . 4.140 3.517 2.608 4.309 0.169 10 0 "[ . 1 . 2]" 1
219 1 9 TYR QD 1 37 LEU MD1 2.970 . 4.140 3.823 2.330 4.198 0.058 5 0 "[ . 1 . 2]" 1
220 1 9 TYR QD 1 37 LEU HG 3.530 . 5.260 3.515 2.376 4.766 . 0 0 "[ . 1 . 2]" 1
221 1 9 TYR QE 1 37 LEU HG 3.430 . 5.060 4.724 2.987 5.247 0.187 4 0 "[ . 1 . 2]" 1
222 1 9 TYR QE 1 37 LEU HB3 3.470 . 5.140 4.548 3.618 5.090 . 0 0 "[ . 1 . 2]" 1
223 1 9 TYR QE 1 37 LEU HB2 3.470 . 5.140 4.560 3.595 5.045 . 0 0 "[ . 1 . 2]" 1
224 1 13 ARG HB2 1 13 ARG HE 3.465 . 5.130 3.045 1.881 4.456 . 0 0 "[ . 1 . 2]" 1
225 1 13 ARG HB3 1 13 ARG HE 3.465 . 5.130 2.565 1.914 4.245 . 0 0 "[ . 1 . 2]" 1
226 1 25 ARG HB3 1 25 ARG HE 3.555 . 5.310 3.931 2.043 4.617 . 0 0 "[ . 1 . 2]" 1
227 1 25 ARG HB2 1 25 ARG HE 3.555 . 5.310 4.103 2.638 4.776 . 0 0 "[ . 1 . 2]" 1
228 1 25 ARG HA 1 25 ARG HD3 3.650 . 5.500 3.707 1.976 4.674 . 0 0 "[ . 1 . 2]" 1
229 1 25 ARG H 1 25 ARG HD2 3.650 . 5.500 4.252 3.458 4.926 . 0 0 "[ . 1 . 2]" 1
230 1 25 ARG HA 1 25 ARG HG2 2.850 . 3.900 2.721 2.318 3.205 . 0 0 "[ . 1 . 2]" 1
231 1 27 ARG HB2 1 27 ARG HE 3.445 . 5.090 3.406 1.911 4.670 . 0 0 "[ . 1 . 2]" 1
232 1 27 ARG HB3 1 27 ARG HE 3.445 . 5.090 3.433 1.927 4.550 . 0 0 "[ . 1 . 2]" 1
233 1 44 ARG HB3 1 44 ARG HE 3.650 . 5.500 3.841 1.944 4.543 . 0 0 "[ . 1 . 2]" 1
234 1 44 ARG HB2 1 44 ARG HE 3.650 . 5.500 3.929 2.265 4.551 . 0 0 "[ . 1 . 2]" 1
235 1 43 ARG HB3 1 43 ARG HE 3.650 . 5.500 3.925 2.203 4.635 . 0 0 "[ . 1 . 2]" 1
236 1 2 ARG HB2 1 2 ARG HE 3.650 . 5.500 2.865 1.802 4.364 . 0 0 "[ . 1 . 2]" 1
237 1 2 ARG HB3 1 2 ARG HE 3.650 . 5.500 3.049 1.822 4.648 . 0 0 "[ . 1 . 2]" 1
238 1 43 ARG HB2 1 43 ARG HE 3.650 . 5.500 3.693 1.964 4.612 . 0 0 "[ . 1 . 2]" 1
239 1 13 ARG HA 1 13 ARG HE 3.650 . 5.500 4.419 3.881 5.189 . 0 0 "[ . 1 . 2]" 1
240 1 38 ARG HA 1 38 ARG HE 3.650 . 5.500 4.272 3.000 5.159 . 0 0 "[ . 1 . 2]" 1
241 1 40 ARG HA 1 40 ARG HE 3.650 . 5.500 4.633 3.651 5.548 0.048 15 0 "[ . 1 . 2]" 1
242 1 2 ARG HA 1 2 ARG HE 3.650 . 5.500 4.409 3.463 5.025 . 0 0 "[ . 1 . 2]" 1
243 1 43 ARG HA 1 43 ARG HE 3.650 . 5.500 4.572 2.571 5.514 0.014 9 0 "[ . 1 . 2]" 1
244 1 44 ARG HA 1 44 ARG HE 3.650 . 5.500 4.799 3.442 5.298 . 0 0 "[ . 1 . 2]" 1
245 1 27 ARG HA 1 27 ARG HE 3.620 . 5.440 4.422 3.645 5.270 . 0 0 "[ . 1 . 2]" 1
246 1 28 ARG HA 1 28 ARG HE 3.650 . 5.500 4.486 3.461 5.222 . 0 0 "[ . 1 . 2]" 1
247 1 2 ARG HE 1 3 GLY H 3.650 . 5.500 4.530 3.079 5.581 0.081 20 0 "[ . 1 . 2]" 1
248 1 9 TYR QD 1 34 GLU HA 2.805 . 3.810 2.488 2.093 3.073 . 0 0 "[ . 1 . 2]" 1
249 1 9 TYR QE 1 34 GLU HA 2.775 . 3.750 2.682 1.996 3.460 . 0 0 "[ . 1 . 2]" 1
250 1 37 LEU MD1 1 38 ARG H 3.650 . 5.500 3.669 3.087 4.454 . 0 0 "[ . 1 . 2]" 1
251 1 37 LEU MD2 1 38 ARG H 3.650 . 5.500 4.302 3.485 4.677 . 0 0 "[ . 1 . 2]" 1
252 1 37 LEU HG 1 38 ARG H 3.650 . 5.500 4.528 3.044 5.071 . 0 0 "[ . 1 . 2]" 1
253 1 9 TYR H 1 37 LEU MD1 3.650 . 5.500 4.908 3.737 5.548 0.048 16 0 "[ . 1 . 2]" 1
254 1 9 TYR H 1 37 LEU MD2 3.650 . 5.500 3.669 2.760 5.431 . 0 0 "[ . 1 . 2]" 1
255 1 20 GLU HG3 1 21 HIS H 3.650 . 5.500 4.602 4.331 4.851 . 0 0 "[ . 1 . 2]" 1
256 1 35 LYS H 1 36 ARG H 2.825 . 3.850 2.657 2.492 2.776 . 0 0 "[ . 1 . 2]" 1
257 1 9 TYR HB2 1 37 LEU MD1 3.630 . 5.460 3.569 2.298 5.232 . 0 0 "[ . 1 . 2]" 1
258 1 9 TYR HB3 1 37 LEU MD1 3.630 . 5.460 3.860 2.270 4.516 . 0 0 "[ . 1 . 2]" 1
259 1 9 TYR HB2 1 37 LEU MD2 3.630 . 5.460 2.727 2.052 3.939 . 0 0 "[ . 1 . 2]" 1
260 1 9 TYR HB3 1 37 LEU MD2 3.630 . 5.460 3.108 2.493 4.006 . 0 0 "[ . 1 . 2]" 1
261 1 34 GLU HA 1 37 LEU MD1 3.650 . 5.500 4.188 2.623 5.047 . 0 0 "[ . 1 . 2]" 1
262 1 37 LEU MD1 1 38 ARG HA 3.650 . 5.500 3.547 2.638 4.897 . 0 0 "[ . 1 . 2]" 1
263 1 34 GLU HA 1 37 LEU MD2 3.650 . 5.500 4.449 2.621 5.379 . 0 0 "[ . 1 . 2]" 1
264 1 37 LEU MD2 1 38 ARG HA 3.650 . 5.500 4.717 3.246 5.511 0.011 14 0 "[ . 1 . 2]" 1
265 1 6 ARG HA 1 9 TYR QD 3.070 . 4.340 3.136 2.100 4.055 . 0 0 "[ . 1 . 2]" 1
266 1 9 TYR QD 1 33 CYS HA 3.405 . 5.010 4.427 3.949 5.031 0.021 6 0 "[ . 1 . 2]" 1
267 1 9 TYR QE 1 10 GLU QG 3.450 . 5.100 4.748 2.427 5.155 0.055 4 0 "[ . 1 . 2]" 1
268 1 9 TYR QE 1 10 GLU QB 3.130 . 4.460 4.227 3.583 4.541 0.081 2 0 "[ . 1 . 2]" 1
269 1 6 ARG QG 1 9 TYR QD 3.650 . 5.500 4.184 2.224 5.347 . 0 0 "[ . 1 . 2]" 1
270 1 10 GLU QB 1 11 ALA MB 3.135 . 4.470 3.860 3.688 4.244 . 0 0 "[ . 1 . 2]" 1
271 1 9 TYR HA 1 12 CYS HB2 3.160 . 4.520 3.363 2.814 4.070 . 0 0 "[ . 1 . 2]" 1
272 1 4 SER HA 1 5 PRO QD 2.390 . 2.980 2.048 1.899 2.684 . 0 0 "[ . 1 . 2]" 1
273 1 6 ARG H 1 7 THR MG 3.345 . 4.890 4.343 3.945 5.088 0.198 4 0 "[ . 1 . 2]" 1
274 1 40 ARG QG 1 41 GLU H 3.650 . 5.500 3.726 3.242 4.245 . 0 0 "[ . 1 . 2]" 1
275 1 25 ARG H 1 26 GLN QB 3.245 . 4.690 4.322 4.066 4.632 . 0 0 "[ . 1 . 2]" 1
276 1 2 ARG QG 1 3 GLY H 3.440 . 5.080 3.644 2.935 4.224 . 0 0 "[ . 1 . 2]" 1
277 1 39 GLU HA 1 42 GLY H 2.640 . 3.480 3.343 2.930 3.552 0.072 13 0 "[ . 1 . 2]" 1
278 1 16 CYS HA 1 19 ALA MB 3.090 . 4.380 2.832 2.156 3.263 . 0 0 "[ . 1 . 2]" 1
279 1 16 CYS HA 1 19 ALA H 3.585 . 5.370 3.294 2.912 3.641 . 0 0 "[ . 1 . 2]" 1
280 1 14 VAL HA 1 17 GLN HB2 3.495 . 5.190 2.901 2.211 4.968 . 0 0 "[ . 1 . 2]" 1
281 1 14 VAL HA 1 17 GLN QG 2.935 . 4.070 3.449 2.120 4.141 0.071 18 0 "[ . 1 . 2]" 1
282 1 14 VAL HA 1 17 GLN HB3 3.495 . 5.190 3.113 2.161 4.295 . 0 0 "[ . 1 . 2]" 1
283 1 14 VAL H 1 15 ARG HA 3.610 . 5.420 5.282 5.184 5.356 . 0 0 "[ . 1 . 2]" 1
284 1 9 TYR QE 1 10 GLU H 3.255 . 4.710 4.688 4.117 4.780 0.070 18 0 "[ . 1 . 2]" 1
285 1 9 TYR QE 1 34 GLU H 3.475 . 5.150 3.594 2.877 4.477 . 0 0 "[ . 1 . 2]" 1
286 1 2 ARG QB 1 2 ARG QD 2.690 . 3.580 2.379 2.106 2.850 . 0 0 "[ . 1 . 2]" 1
287 1 4 SER H 1 4 SER QB 2.670 . 3.540 2.624 2.307 3.395 . 0 0 "[ . 1 . 2]" 1
288 1 4 SER QB 1 6 ARG H 2.750 . 3.700 3.207 2.573 3.737 0.037 13 0 "[ . 1 . 2]" 1
289 1 5 PRO QB 1 6 ARG H 2.645 . 3.490 3.222 2.351 3.595 0.105 1 0 "[ . 1 . 2]" 1
290 1 5 PRO QB 1 37 LEU QD 2.755 . 3.710 2.363 1.855 3.737 0.027 19 0 "[ . 1 . 2]" 1
291 1 5 PRO QG 1 6 ARG H 2.705 . 3.610 2.845 2.224 3.620 0.010 18 0 "[ . 1 . 2]" 1
292 1 5 PRO QG 1 37 LEU QD 3.055 . 4.310 3.060 2.017 4.385 0.075 1 0 "[ . 1 . 2]" 1
293 1 6 ARG H 1 6 ARG QB 2.425 . 3.050 2.496 2.171 3.017 . 0 0 "[ . 1 . 2]" 1
294 1 6 ARG H 1 37 LEU QD 3.250 . 4.700 3.674 2.416 4.395 . 0 0 "[ . 1 . 2]" 1
295 1 6 ARG HA 1 37 LEU QD 2.905 . 4.010 2.860 1.999 3.948 . 0 0 "[ . 1 . 2]" 1
296 1 6 ARG QB 1 6 ARG QD 2.725 . 3.650 2.310 2.076 2.901 . 0 0 "[ . 1 . 2]" 1
297 1 6 ARG QB 1 6 ARG HE 3.200 . 4.600 3.088 1.862 4.073 . 0 0 "[ . 1 . 2]" 1
298 1 6 ARG QB 1 7 THR H 2.655 . 3.510 2.982 2.433 3.605 0.095 5 0 "[ . 1 . 2]" 1
299 1 8 GLU QB 1 9 TYR H 2.540 . 3.280 2.387 2.252 2.640 . 0 0 "[ . 1 . 2]" 1
300 1 8 GLU QB 1 9 TYR QD 3.570 . 5.340 5.276 4.368 5.413 0.073 12 0 "[ . 1 . 2]" 1
301 1 8 GLU QB 1 37 LEU QD 3.320 . 4.840 3.484 2.603 4.544 . 0 0 "[ . 1 . 2]" 1
302 1 8 GLU QG 1 37 LEU QD 3.525 . 5.250 4.501 3.613 5.326 0.076 11 0 "[ . 1 . 2]" 1
303 1 9 TYR H 1 9 TYR QB 2.375 . 2.950 2.005 1.934 2.265 . 0 0 "[ . 1 . 2]" 1
304 1 9 TYR H 1 37 LEU QD 3.080 . 4.360 3.292 2.751 4.147 . 0 0 "[ . 1 . 2]" 1
305 1 9 TYR HA 1 12 CYS QB 2.790 . 3.780 2.720 2.419 3.231 . 0 0 "[ . 1 . 2]" 1
306 1 9 TYR HA 1 37 LEU QD 3.245 . 4.690 3.922 3.146 4.700 0.010 16 0 "[ . 1 . 2]" 1
307 1 9 TYR QB 1 34 GLU HA 3.570 . 5.340 4.129 3.447 4.969 . 0 0 "[ . 1 . 2]" 1
308 1 9 TYR QB 1 37 LEU HA 3.570 . 5.340 3.978 3.148 5.042 . 0 0 "[ . 1 . 2]" 1
309 1 9 TYR QB 1 37 LEU QD 2.510 . 3.220 2.254 1.986 2.539 . 0 0 "[ . 1 . 2]" 1
310 1 9 TYR QD 1 13 ARG QD 3.300 . 4.800 3.930 3.398 4.636 . 0 0 "[ . 1 . 2]" 1
311 1 9 TYR QD 1 33 CYS QB 3.080 . 4.360 2.939 2.287 3.501 . 0 0 "[ . 1 . 2]" 1
312 1 9 TYR QD 1 37 LEU QB 2.560 . 3.320 2.605 2.143 3.326 0.006 11 0 "[ . 1 . 2]" 1
313 1 9 TYR QE 1 13 ARG QD 2.825 . 3.850 3.024 2.515 3.819 . 0 0 "[ . 1 . 2]" 1
314 1 9 TYR QE 1 33 CYS QB 3.140 . 4.480 3.817 2.949 4.555 0.075 16 0 "[ . 1 . 2]" 1
315 1 9 TYR QE 1 37 LEU QB 3.095 . 4.390 4.046 3.213 4.432 0.042 14 0 "[ . 1 . 2]" 1
316 1 9 TYR QE 1 37 LEU QD 3.255 . 4.710 4.002 2.528 4.782 0.072 12 0 "[ . 1 . 2]" 1
317 1 12 CYS H 1 12 CYS QB 2.370 . 2.940 2.212 2.158 2.247 . 0 0 "[ . 1 . 2]" 1
318 1 12 CYS QB 1 13 ARG H 2.635 . 3.470 2.559 2.424 2.704 . 0 0 "[ . 1 . 2]" 1
319 1 13 ARG H 1 13 ARG QB 2.470 . 3.140 2.428 2.167 2.576 . 0 0 "[ . 1 . 2]" 1
320 1 13 ARG H 1 13 ARG QG 2.805 . 3.810 2.374 2.094 3.879 0.069 10 0 "[ . 1 . 2]" 1
321 1 13 ARG HA 1 13 ARG QD 3.030 . 4.260 4.031 2.117 4.270 0.010 9 0 "[ . 1 . 2]" 1
322 1 14 VAL H 1 14 VAL QG 2.415 . 3.030 2.076 1.920 2.169 . 0 0 "[ . 1 . 2]" 1
323 1 14 VAL HA 1 14 VAL QG 2.295 . 2.790 2.172 2.134 2.313 . 0 0 "[ . 1 . 2]" 1
324 1 14 VAL HA 1 17 GLN QB 3.085 . 4.370 2.480 2.053 3.985 . 0 0 "[ . 1 . 2]" 1
325 1 15 ARG HA 1 15 ARG QG 2.530 . 3.260 2.635 2.380 3.144 . 0 0 "[ . 1 . 2]" 1
326 1 15 ARG QB 1 15 ARG QD 2.690 . 3.580 2.436 2.122 2.940 . 0 0 "[ . 1 . 2]" 1
327 1 17 GLN H 1 17 GLN QB 2.595 . 3.390 2.319 2.176 2.595 . 0 0 "[ . 1 . 2]" 1
328 1 18 VAL H 1 18 VAL QG 2.735 . 3.670 2.197 1.994 2.418 . 0 0 "[ . 1 . 2]" 1
329 1 18 VAL HA 1 18 VAL QG 2.225 . 2.650 2.211 2.129 2.353 . 0 0 "[ . 1 . 2]" 1
330 1 18 VAL QG 1 19 ALA MB 3.090 . 4.380 3.296 2.664 3.892 . 0 0 "[ . 1 . 2]" 1
331 1 18 VAL QG 1 20 GLU H 3.460 . 5.120 4.628 4.162 5.025 . 0 0 "[ . 1 . 2]" 1
332 1 19 ALA MB 1 20 GLU QG 2.850 . 3.900 2.952 2.648 3.192 . 0 0 "[ . 1 . 2]" 1
333 1 20 GLU H 1 20 GLU QG 3.030 . 4.260 2.347 2.213 2.574 . 0 0 "[ . 1 . 2]" 1
334 1 20 GLU QB 1 21 HIS H 2.615 . 3.430 2.252 2.067 2.538 . 0 0 "[ . 1 . 2]" 1
335 1 20 GLU QB 1 22 GLY H 3.460 . 5.120 3.897 3.259 4.567 . 0 0 "[ . 1 . 2]" 1
336 1 20 GLU QG 1 29 CYS QB 3.050 . 4.300 4.174 3.162 4.403 0.103 6 0 "[ . 1 . 2]" 1
337 1 21 HIS H 1 21 HIS QB 2.465 . 3.130 2.974 2.870 3.077 . 0 0 "[ . 1 . 2]" 1
338 1 23 VAL H 1 23 VAL QG 2.565 . 3.330 2.023 1.919 2.141 . 0 0 "[ . 1 . 2]" 1
339 1 23 VAL HA 1 23 VAL QG 2.425 . 3.050 2.146 2.126 2.165 . 0 0 "[ . 1 . 2]" 1
340 1 25 ARG H 1 25 ARG QG 2.435 . 3.070 2.329 2.083 2.555 . 0 0 "[ . 1 . 2]" 1
341 1 25 ARG HA 1 25 ARG QD 3.280 . 4.760 3.213 1.951 4.213 . 0 0 "[ . 1 . 2]" 1
342 1 25 ARG QB 1 25 ARG QD 2.560 . 3.320 2.301 2.083 2.807 . 0 0 "[ . 1 . 2]" 1
343 1 25 ARG QB 1 25 ARG HE 3.140 . 4.480 3.470 2.031 4.162 . 0 0 "[ . 1 . 2]" 1
344 1 27 ARG H 1 27 ARG QB 2.615 . 3.430 2.325 2.202 2.517 . 0 0 "[ . 1 . 2]" 1
345 1 27 ARG QB 1 27 ARG QD 2.695 . 3.590 2.305 2.084 2.795 . 0 0 "[ . 1 . 2]" 1
346 1 27 ARG QB 1 27 ARG HE 3.085 . 4.370 2.847 1.865 4.105 . 0 0 "[ . 1 . 2]" 1
347 1 27 ARG QB 1 28 ARG H 3.030 . 4.260 2.606 2.324 2.870 . 0 0 "[ . 1 . 2]" 1
348 1 28 ARG H 1 28 ARG QB 2.430 . 3.060 2.300 2.171 2.535 . 0 0 "[ . 1 . 2]" 1
349 1 28 ARG QB 1 28 ARG HE 2.930 . 4.060 3.050 1.912 4.000 . 0 0 "[ . 1 . 2]" 1
350 1 28 ARG QB 1 29 CYS H 2.675 . 3.550 2.331 2.083 2.716 . 0 0 "[ . 1 . 2]" 1
351 1 29 CYS H 1 29 CYS QB 2.430 . 3.060 2.339 2.193 2.433 . 0 0 "[ . 1 . 2]" 1
352 1 29 CYS QB 1 30 GLN H 2.550 . 3.300 2.649 2.347 3.069 . 0 0 "[ . 1 . 2]" 1
353 1 31 GLN H 1 31 GLN QB 2.555 . 3.310 2.300 2.181 2.527 . 0 0 "[ . 1 . 2]" 1
354 1 31 GLN QB 1 32 VAL H 2.930 . 4.060 2.461 2.244 2.724 . 0 0 "[ . 1 . 2]" 1
355 1 32 VAL H 1 32 VAL QG 2.775 . 3.750 2.109 1.998 2.209 . 0 0 "[ . 1 . 2]" 1
356 1 32 VAL HA 1 32 VAL QG 2.315 . 2.830 2.154 2.118 2.336 . 0 0 "[ . 1 . 2]" 1
357 1 32 VAL QG 1 33 CYS H 3.130 . 4.460 3.106 2.159 3.282 . 0 0 "[ . 1 . 2]" 1
358 1 33 CYS H 1 33 CYS QB 2.690 . 3.580 2.477 2.362 2.630 . 0 0 "[ . 1 . 2]" 1
359 1 33 CYS QB 1 34 GLU H 2.710 . 3.620 2.861 2.368 3.185 . 0 0 "[ . 1 . 2]" 1
360 1 35 LYS H 1 35 LYS QB 2.410 . 3.020 2.267 2.072 2.546 . 0 0 "[ . 1 . 2]" 1
361 1 35 LYS H 1 35 LYS QG 3.025 . 4.250 3.692 2.152 4.016 . 0 0 "[ . 1 . 2]" 1
362 1 35 LYS QB 1 35 LYS QE 2.595 . 3.390 2.196 1.911 3.456 0.066 13 0 "[ . 1 . 2]" 1
363 1 36 ARG H 1 36 ARG QD 3.145 . 4.490 3.930 3.531 4.424 . 0 0 "[ . 1 . 2]" 1
364 1 36 ARG HA 1 36 ARG QD 2.985 . 4.170 3.880 2.018 4.209 0.039 4 0 "[ . 1 . 2]" 1
365 1 37 LEU H 1 37 LEU QB 2.560 . 3.320 2.173 2.073 2.245 . 0 0 "[ . 1 . 2]" 1
366 1 37 LEU H 1 37 LEU QD 3.135 . 4.470 3.674 3.459 3.779 . 0 0 "[ . 1 . 2]" 1
367 1 37 LEU HA 1 37 LEU QD 2.430 . 3.060 2.122 1.903 2.565 . 0 0 "[ . 1 . 2]" 1
368 1 37 LEU QB 1 37 LEU QD 2.280 . 2.760 2.036 1.923 2.086 . 0 0 "[ . 1 . 2]" 1
369 1 37 LEU QB 1 38 ARG H 2.680 . 3.560 2.443 2.106 2.651 . 0 0 "[ . 1 . 2]" 1
370 1 37 LEU QD 1 38 ARG H 3.280 . 4.760 3.393 3.024 3.883 . 0 0 "[ . 1 . 2]" 1
371 1 38 ARG QB 1 38 ARG QD 2.540 . 3.280 2.433 2.084 2.866 . 0 0 "[ . 1 . 2]" 1
372 1 38 ARG QB 1 38 ARG HE 3.570 . 5.340 2.749 1.828 3.923 . 0 0 "[ . 1 . 2]" 1
373 1 39 GLU H 1 39 GLU QB 2.660 . 3.520 2.484 2.237 2.787 . 0 0 "[ . 1 . 2]" 1
374 1 39 GLU H 1 39 GLU QG 2.480 . 3.160 2.289 2.000 2.634 . 0 0 "[ . 1 . 2]" 1
375 1 39 GLU HA 1 39 GLU QG 2.555 . 3.310 2.717 2.362 3.326 0.016 3 0 "[ . 1 . 2]" 1
376 1 40 ARG H 1 40 ARG QB 2.445 . 3.090 2.289 2.103 2.541 . 0 0 "[ . 1 . 2]" 1
377 1 40 ARG QB 1 40 ARG HE 3.150 . 4.500 3.240 1.960 4.011 . 0 0 "[ . 1 . 2]" 1
378 1 41 GLU H 1 41 GLU QB 2.560 . 3.320 2.509 2.288 2.740 . 0 0 "[ . 1 . 2]" 1
379 1 41 GLU H 1 41 GLU QG 2.395 . 2.990 2.255 1.996 2.590 . 0 0 "[ . 1 . 2]" 1
380 1 41 GLU HA 1 41 GLU QG 2.685 . 3.570 2.892 2.382 3.382 . 0 0 "[ . 1 . 2]" 1
381 1 41 GLU QB 1 42 GLY H 2.890 . 3.980 2.928 2.259 3.721 . 0 0 "[ . 1 . 2]" 1
382 1 43 ARG H 1 43 ARG QB 2.730 . 3.660 2.368 2.205 2.650 . 0 0 "[ . 1 . 2]" 1
383 1 44 ARG H 1 44 ARG QB 2.475 . 3.150 2.469 2.240 2.934 . 0 0 "[ . 1 . 2]" 1
384 1 44 ARG QB 1 44 ARG QD 2.710 . 3.620 2.245 2.046 2.852 . 0 0 "[ . 1 . 2]" 1
385 1 46 VAL H 1 46 VAL QG 2.930 . 4.060 2.159 1.874 2.740 . 0 0 "[ . 1 . 2]" 1
386 1 46 VAL QG 1 47 ASP H 3.180 . 4.560 3.051 2.204 3.699 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 42
_Distance_constraint_stats_list.Viol_count 57
_Distance_constraint_stats_list.Viol_total 25.303
_Distance_constraint_stats_list.Viol_max 0.069
_Distance_constraint_stats_list.Viol_rms 0.0069
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0015
_Distance_constraint_stats_list.Viol_average_violations_only 0.0222
_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 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 THR 0.009 0.009 15 0 "[ . 1 . 2]"
1 8 GLU 0.089 0.063 19 0 "[ . 1 . 2]"
1 10 GLU 0.062 0.035 18 0 "[ . 1 . 2]"
1 11 ALA 0.009 0.009 15 0 "[ . 1 . 2]"
1 12 CYS 0.436 0.069 19 0 "[ . 1 . 2]"
1 13 ARG 0.046 0.024 5 0 "[ . 1 . 2]"
1 14 VAL 0.196 0.046 20 0 "[ . 1 . 2]"
1 16 CYS 0.581 0.069 19 0 "[ . 1 . 2]"
1 17 GLN 0.046 0.024 5 0 "[ . 1 . 2]"
1 18 VAL 0.135 0.046 20 0 "[ . 1 . 2]"
1 20 GLU 0.234 0.055 2 0 "[ . 1 . 2]"
1 22 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 ARG 0.027 0.018 11 0 "[ . 1 . 2]"
1 26 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 ARG 0.105 0.062 19 0 "[ . 1 . 2]"
1 29 CYS 0.027 0.018 11 0 "[ . 1 . 2]"
1 30 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 VAL 0.105 0.062 19 0 "[ . 1 . 2]"
1 33 CYS 0.013 0.013 6 0 "[ . 1 . 2]"
1 34 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 ARG 0.056 0.029 13 0 "[ . 1 . 2]"
1 37 LEU 0.076 0.027 6 0 "[ . 1 . 2]"
1 38 ARG 0.021 0.021 8 0 "[ . 1 . 2]"
1 39 GLU 0.058 0.017 12 0 "[ . 1 . 2]"
1 40 ARG 0.056 0.029 13 0 "[ . 1 . 2]"
1 41 GLU 0.063 0.027 6 0 "[ . 1 . 2]"
1 42 GLY 0.021 0.021 8 0 "[ . 1 . 2]"
1 43 ARG 0.058 0.017 12 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 ARG O 1 10 GLU H 0.000 . 2.300 1.882 1.667 2.283 . 0 0 "[ . 1 . 2]" 2
2 1 6 ARG O 1 10 GLU N 0.000 . 3.300 2.825 2.642 3.149 . 0 0 "[ . 1 . 2]" 2
3 1 7 THR O 1 11 ALA H 0.000 . 2.300 1.942 1.735 2.309 0.009 15 0 "[ . 1 . 2]" 2
4 1 7 THR O 1 11 ALA N 0.000 . 3.300 2.870 2.690 3.220 . 0 0 "[ . 1 . 2]" 2
5 1 8 GLU O 1 12 CYS H 0.000 . 2.300 2.131 1.925 2.363 0.063 19 0 "[ . 1 . 2]" 2
6 1 8 GLU O 1 12 CYS N 0.000 . 3.300 3.011 2.774 3.252 . 0 0 "[ . 1 . 2]" 2
7 1 10 GLU O 1 14 VAL H 0.000 . 2.300 1.986 1.740 2.335 0.035 18 0 "[ . 1 . 2]" 2
8 1 10 GLU O 1 14 VAL N 0.000 . 3.300 2.952 2.719 3.299 . 0 0 "[ . 1 . 2]" 2
9 1 12 CYS O 1 16 CYS H 0.000 . 2.300 2.199 1.844 2.369 0.069 19 0 "[ . 1 . 2]" 2
10 1 12 CYS O 1 16 CYS N 0.000 . 3.300 3.144 2.804 3.331 0.031 19 0 "[ . 1 . 2]" 2
11 1 13 ARG O 1 17 GLN H 0.000 . 2.300 2.118 1.929 2.324 0.024 5 0 "[ . 1 . 2]" 2
12 1 13 ARG O 1 17 GLN N 0.000 . 3.300 2.940 2.787 3.146 . 0 0 "[ . 1 . 2]" 2
13 1 14 VAL O 1 18 VAL H 0.000 . 2.300 2.166 1.896 2.346 0.046 20 0 "[ . 1 . 2]" 2
14 1 14 VAL O 1 18 VAL N 0.000 . 3.300 3.041 2.813 3.262 . 0 0 "[ . 1 . 2]" 2
15 1 16 CYS O 1 20 GLU H 0.000 . 2.300 2.229 1.819 2.355 0.055 2 0 "[ . 1 . 2]" 2
16 1 16 CYS O 1 20 GLU N 0.000 . 3.300 2.957 2.692 3.090 . 0 0 "[ . 1 . 2]" 2
17 1 22 GLY O 1 26 GLN H 0.000 . 2.300 1.927 1.793 2.296 . 0 0 "[ . 1 . 2]" 2
18 1 22 GLY O 1 26 GLN N 0.000 . 3.300 2.832 2.727 3.206 . 0 0 "[ . 1 . 2]" 2
19 1 25 ARG O 1 29 CYS H 0.000 . 2.300 2.040 1.798 2.318 0.018 11 0 "[ . 1 . 2]" 2
20 1 25 ARG O 1 29 CYS N 0.000 . 3.300 3.000 2.780 3.266 . 0 0 "[ . 1 . 2]" 2
21 1 26 GLN O 1 30 GLN H 0.000 . 2.300 1.863 1.683 2.098 . 0 0 "[ . 1 . 2]" 2
22 1 26 GLN O 1 30 GLN N 0.000 . 3.300 2.779 2.637 2.963 . 0 0 "[ . 1 . 2]" 2
23 1 28 ARG O 1 32 VAL H 0.000 . 2.300 2.073 1.680 2.362 0.062 19 0 "[ . 1 . 2]" 2
24 1 28 ARG O 1 32 VAL N 0.000 . 3.300 3.024 2.656 3.290 . 0 0 "[ . 1 . 2]" 2
25 1 29 CYS O 1 33 CYS H 0.000 . 2.300 1.785 1.682 1.985 . 0 0 "[ . 1 . 2]" 2
26 1 29 CYS O 1 33 CYS N 0.000 . 3.300 2.745 2.658 2.896 . 0 0 "[ . 1 . 2]" 2
27 1 32 VAL O 1 36 ARG H 0.000 . 2.300 1.926 1.814 2.293 . 0 0 "[ . 1 . 2]" 2
28 1 32 VAL O 1 36 ARG N 0.000 . 3.300 2.881 2.765 3.230 . 0 0 "[ . 1 . 2]" 2
29 1 33 CYS O 1 37 LEU H 0.000 . 2.300 2.002 1.855 2.313 0.013 6 0 "[ . 1 . 2]" 2
30 1 33 CYS O 1 37 LEU N 0.000 . 3.300 2.887 2.702 3.173 . 0 0 "[ . 1 . 2]" 2
31 1 34 GLU O 1 38 ARG H 0.000 . 2.300 1.912 1.795 2.112 . 0 0 "[ . 1 . 2]" 2
32 1 34 GLU O 1 38 ARG N 0.000 . 3.300 2.836 2.732 3.042 . 0 0 "[ . 1 . 2]" 2
33 1 35 LYS O 1 39 GLU H 0.000 . 2.300 1.978 1.712 2.279 . 0 0 "[ . 1 . 2]" 2
34 1 35 LYS O 1 39 GLU N 0.000 . 3.300 2.880 2.659 3.144 . 0 0 "[ . 1 . 2]" 2
35 1 36 ARG O 1 40 ARG H 0.000 . 2.300 2.029 1.783 2.329 0.029 13 0 "[ . 1 . 2]" 2
36 1 36 ARG O 1 40 ARG N 0.000 . 3.300 2.920 2.708 3.283 . 0 0 "[ . 1 . 2]" 2
37 1 37 LEU O 1 41 GLU H 0.000 . 2.300 1.986 1.742 2.327 0.027 6 0 "[ . 1 . 2]" 2
38 1 37 LEU O 1 41 GLU N 0.000 . 3.300 2.918 2.711 3.179 . 0 0 "[ . 1 . 2]" 2
39 1 38 ARG O 1 42 GLY H 0.000 . 2.300 2.036 1.690 2.321 0.021 8 0 "[ . 1 . 2]" 2
40 1 38 ARG O 1 42 GLY N 0.000 . 3.300 2.862 2.643 3.116 . 0 0 "[ . 1 . 2]" 2
41 1 39 GLU O 1 43 ARG H 0.000 . 2.300 2.119 1.797 2.317 0.017 12 0 "[ . 1 . 2]" 2
42 1 39 GLU O 1 43 ARG N 0.000 . 3.300 2.915 2.748 3.067 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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