NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
448397 |
2nwm   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2nwm
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 530
_Distance_constraint_stats_list.Viol_count 745
_Distance_constraint_stats_list.Viol_total 354.895
_Distance_constraint_stats_list.Viol_max 0.232
_Distance_constraint_stats_list.Viol_rms 0.0105
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0017
_Distance_constraint_stats_list.Viol_average_violations_only 0.0238
_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 2 LYS 0.066 0.009 7 0 "[ . 1 . 2]"
1 3 ALA 0.050 0.010 14 0 "[ . 1 . 2]"
1 4 ALA 0.084 0.011 15 0 "[ . 1 . 2]"
1 5 ARG 0.019 0.005 11 0 "[ . 1 . 2]"
1 6 LEU 0.402 0.048 4 0 "[ . 1 . 2]"
1 7 LYS 0.228 0.036 5 0 "[ . 1 . 2]"
1 8 PHE 0.322 0.105 14 0 "[ . 1 . 2]"
1 9 ASP 0.286 0.053 4 0 "[ . 1 . 2]"
1 10 PHE 0.022 0.007 14 0 "[ . 1 . 2]"
1 11 GLN 0.002 0.002 2 0 "[ . 1 . 2]"
1 12 ALA 0.055 0.010 6 0 "[ . 1 . 2]"
1 13 GLN 1.246 0.079 9 0 "[ . 1 . 2]"
1 14 SER 0.154 0.020 6 0 "[ . 1 . 2]"
1 15 PRO 0.033 0.013 15 0 "[ . 1 . 2]"
1 16 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 GLU 0.226 0.025 11 0 "[ . 1 . 2]"
1 18 LEU 0.001 0.001 12 0 "[ . 1 . 2]"
1 19 THR 0.015 0.006 2 0 "[ . 1 . 2]"
1 20 LEU 0.478 0.050 2 0 "[ . 1 . 2]"
1 21 GLN 0.200 0.053 4 0 "[ . 1 . 2]"
1 22 LYS 0.590 0.065 8 0 "[ . 1 . 2]"
1 23 GLY 0.049 0.013 9 0 "[ . 1 . 2]"
1 24 ASP 0.192 0.024 4 0 "[ . 1 . 2]"
1 25 ILE 0.012 0.004 10 0 "[ . 1 . 2]"
1 26 VAL 0.207 0.094 10 0 "[ . 1 . 2]"
1 27 TYR 0.244 0.094 10 0 "[ . 1 . 2]"
1 28 ILE 0.386 0.053 14 0 "[ . 1 . 2]"
1 29 HIS 0.145 0.053 14 0 "[ . 1 . 2]"
1 30 LYS 0.773 0.058 11 0 "[ . 1 . 2]"
1 31 GLU 2.418 0.160 11 0 "[ . 1 . 2]"
1 32 VAL 2.807 0.232 17 0 "[ . 1 . 2]"
1 33 ASP 4.359 0.232 17 0 "[ . 1 . 2]"
1 34 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 ASN 1.250 0.097 17 0 "[ . 1 . 2]"
1 36 TRP 1.704 0.097 17 0 "[ . 1 . 2]"
1 37 LEU 4.611 0.127 15 0 "[ . 1 . 2]"
1 38 GLU 0.102 0.021 10 0 "[ . 1 . 2]"
1 39 GLY 0.067 0.014 8 0 "[ . 1 . 2]"
1 40 GLU 0.685 0.058 2 0 "[ . 1 . 2]"
1 41 HIS 0.047 0.008 9 0 "[ . 1 . 2]"
1 43 GLY 0.099 0.022 5 0 "[ . 1 . 2]"
1 44 ARG 0.265 0.056 4 0 "[ . 1 . 2]"
1 45 LEU 0.394 0.056 4 0 "[ . 1 . 2]"
1 46 GLY 0.575 0.050 7 0 "[ . 1 . 2]"
1 47 ILE 2.368 0.050 7 0 "[ . 1 . 2]"
1 48 PHE 0.270 0.030 1 0 "[ . 1 . 2]"
1 49 PRO 0.246 0.059 17 0 "[ . 1 . 2]"
1 50 ALA 0.017 0.009 19 0 "[ . 1 . 2]"
1 51 ASN 0.037 0.014 2 0 "[ . 1 . 2]"
1 52 TYR 0.187 0.105 14 0 "[ . 1 . 2]"
1 53 VAL 0.304 0.038 7 0 "[ . 1 . 2]"
1 54 GLU 0.101 0.017 2 0 "[ . 1 . 2]"
1 55 VAL 0.185 0.038 7 0 "[ . 1 . 2]"
1 56 LEU 0.108 0.017 2 0 "[ . 1 . 2]"
1 57 PRO 0.106 0.011 15 0 "[ . 1 . 2]"
1 58 LEU 0.020 0.009 9 0 "[ . 1 . 2]"
1 59 GLU 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 2 LYS HA 1 3 ALA H 1.800 . 3.000 2.172 2.138 2.315 . 0 0 "[ . 1 . 2]" 1
2 1 2 LYS QG 1 3 ALA H 1.800 . 6.000 3.481 2.920 4.064 . 0 0 "[ . 1 . 2]" 1
3 1 2 LYS HA 1 57 PRO HD3 1.800 . 5.000 4.492 4.180 4.702 . 0 0 "[ . 1 . 2]" 1
4 1 2 LYS HA 1 57 PRO HD2 1.800 . 5.000 4.987 4.784 5.009 0.009 7 0 "[ . 1 . 2]" 1
5 1 2 LYS QG 1 57 PRO HD3 1.800 . 5.000 3.688 3.002 4.434 . 0 0 "[ . 1 . 2]" 1
6 1 2 LYS QG 1 57 PRO HD2 1.800 . 5.000 4.407 3.788 5.005 0.005 14 0 "[ . 1 . 2]" 1
7 1 3 ALA H 1 3 ALA MB 1.800 . 4.000 2.460 2.241 2.724 . 0 0 "[ . 1 . 2]" 1
8 1 3 ALA H 1 4 ALA H 1.800 . 6.000 4.437 4.037 4.556 . 0 0 "[ . 1 . 2]" 1
9 1 3 ALA HA 1 4 ALA H 1.800 . 3.000 2.260 2.142 2.297 . 0 0 "[ . 1 . 2]" 1
10 1 3 ALA H 1 27 TYR HA 1.800 . 6.000 5.279 4.673 5.822 . 0 0 "[ . 1 . 2]" 1
11 1 3 ALA MB 1 56 LEU HA 1.800 . 6.000 5.973 5.834 6.010 0.010 14 0 "[ . 1 . 2]" 1
12 1 3 ALA HA 1 27 TYR HA 1.800 . 4.500 2.853 2.395 3.322 . 0 0 "[ . 1 . 2]" 1
13 1 3 ALA MB 1 27 TYR HA 1.800 . 5.500 3.608 2.919 4.295 . 0 0 "[ . 1 . 2]" 1
14 1 3 ALA MB 1 25 ILE MD 1.800 . 6.000 3.195 1.928 4.490 . 0 0 "[ . 1 . 2]" 1
15 1 3 ALA MB 1 25 ILE MG 1.800 . 5.000 3.751 2.018 5.004 0.004 5 0 "[ . 1 . 2]" 1
16 1 3 ALA MB 1 58 LEU QB 1.800 . 5.000 3.627 2.978 4.273 . 0 0 "[ . 1 . 2]" 1
17 1 3 ALA MB 1 56 LEU QD 1.800 . 5.000 4.689 4.350 4.894 . 0 0 "[ . 1 . 2]" 1
18 1 4 ALA H 1 4 ALA MB 1.800 . 4.000 2.572 2.432 2.712 . 0 0 "[ . 1 . 2]" 1
19 1 4 ALA H 1 26 VAL H 1.800 . 4.500 3.200 2.592 3.797 . 0 0 "[ . 1 . 2]" 1
20 1 4 ALA H 1 27 TYR HA 1.800 . 5.000 4.074 3.296 4.487 . 0 0 "[ . 1 . 2]" 1
21 1 4 ALA H 1 5 ARG H 1.800 . 6.000 4.377 4.218 4.469 . 0 0 "[ . 1 . 2]" 1
22 1 4 ALA HA 1 5 ARG H 1.800 . 3.000 2.227 2.166 2.314 . 0 0 "[ . 1 . 2]" 1
23 1 4 ALA MB 1 5 ARG H 1.800 . 4.500 2.838 2.555 3.054 . 0 0 "[ . 1 . 2]" 1
24 1 4 ALA HA 1 56 LEU H 1.800 . 4.500 2.573 1.976 3.019 . 0 0 "[ . 1 . 2]" 1
25 1 4 ALA MB 1 26 VAL H 1.800 . 6.000 4.057 3.750 4.490 . 0 0 "[ . 1 . 2]" 1
26 1 4 ALA H 1 26 VAL QG 1.800 . 5.000 3.528 2.751 4.029 . 0 0 "[ . 1 . 2]" 1
27 1 4 ALA H 1 25 ILE MD 1.800 . 5.000 4.059 2.547 5.004 0.004 10 0 "[ . 1 . 2]" 1
28 1 4 ALA MB 1 26 VAL MG2 1.800 . 6.000 3.384 2.569 4.973 . 0 0 "[ . 1 . 2]" 1
29 1 4 ALA HA 1 55 VAL HA 1.800 . 4.500 3.376 2.708 3.931 . 0 0 "[ . 1 . 2]" 1
30 1 4 ALA HA 1 56 LEU QD 1.800 . 5.000 3.471 2.973 3.786 . 0 0 "[ . 1 . 2]" 1
31 1 4 ALA MB 1 56 LEU HG 1.800 . 4.500 4.051 3.475 4.392 . 0 0 "[ . 1 . 2]" 1
32 1 4 ALA MB 1 53 VAL HA 1.800 . 6.000 4.830 4.416 5.421 . 0 0 "[ . 1 . 2]" 1
33 1 4 ALA MB 1 53 VAL HB 1.800 . 4.500 4.143 2.798 4.506 0.006 18 0 "[ . 1 . 2]" 1
34 1 4 ALA MB 1 55 VAL HA 1.800 . 4.000 2.414 1.940 2.789 . 0 0 "[ . 1 . 2]" 1
35 1 4 ALA MB 1 57 PRO QG 1.800 . 5.000 4.965 4.802 5.011 0.011 15 0 "[ . 1 . 2]" 1
36 1 4 ALA MB 1 58 LEU MD1 1.800 . 5.000 4.860 4.240 5.009 0.009 9 0 "[ . 1 . 2]" 1
37 1 4 ALA MB 1 28 ILE MD 1.800 . 6.000 2.384 1.809 3.285 . 0 0 "[ . 1 . 2]" 1
38 1 5 ARG H 1 5 ARG HB3 1.800 . 4.000 2.723 2.502 2.975 . 0 0 "[ . 1 . 2]" 1
39 1 5 ARG H 1 5 ARG HB2 1.800 . 4.000 2.687 2.421 2.950 . 0 0 "[ . 1 . 2]" 1
40 1 5 ARG H 1 5 ARG QD 1.800 . 6.000 4.590 4.131 5.073 . 0 0 "[ . 1 . 2]" 1
41 1 5 ARG HA 1 6 LEU H 1.800 . 3.000 2.150 2.137 2.175 . 0 0 "[ . 1 . 2]" 1
42 1 5 ARG H 1 6 LEU H 1.800 . 6.000 4.385 4.266 4.485 . 0 0 "[ . 1 . 2]" 1
43 1 5 ARG QG 1 6 LEU H 1.800 . 5.000 2.869 2.463 3.263 . 0 0 "[ . 1 . 2]" 1
44 1 5 ARG QB 1 23 GLY H 1.800 . 6.000 5.348 4.478 6.004 0.004 18 0 "[ . 1 . 2]" 1
45 1 5 ARG QG 1 24 ASP H 1.800 . 5.000 4.243 3.535 4.923 . 0 0 "[ . 1 . 2]" 1
46 1 5 ARG H 1 55 VAL HA 1.800 . 5.000 4.522 3.786 5.005 0.005 11 0 "[ . 1 . 2]" 1
47 1 5 ARG H 1 56 LEU H 1.800 . 6.000 4.018 3.404 4.673 . 0 0 "[ . 1 . 2]" 1
48 1 5 ARG H 1 56 LEU QD 1.800 . 5.000 2.747 2.151 3.648 . 0 0 "[ . 1 . 2]" 1
49 1 5 ARG HA 1 26 VAL H 1.800 . 5.000 4.122 3.447 4.653 . 0 0 "[ . 1 . 2]" 1
50 1 5 ARG HB3 1 5 ARG QD 1.800 . 5.000 2.539 1.956 3.360 . 0 0 "[ . 1 . 2]" 1
51 1 5 ARG HB2 1 5 ARG QD 1.800 . 5.000 2.600 2.011 3.449 . 0 0 "[ . 1 . 2]" 1
52 1 5 ARG QG 1 6 LEU QD 1.800 . 5.500 4.925 4.253 5.369 . 0 0 "[ . 1 . 2]" 1
53 1 5 ARG QD 1 23 GLY QA 1.800 . 6.000 3.525 2.099 5.451 . 0 0 "[ . 1 . 2]" 1
54 1 5 ARG QG 1 23 GLY HA3 1.800 . 6.000 4.557 3.810 5.653 . 0 0 "[ . 1 . 2]" 1
55 1 5 ARG QG 1 23 GLY HA2 1.800 . 6.000 3.121 2.362 4.236 . 0 0 "[ . 1 . 2]" 1
56 1 5 ARG HA 1 25 ILE HA 1.800 . 5.000 2.704 2.213 3.375 . 0 0 "[ . 1 . 2]" 1
57 1 5 ARG HA 1 25 ILE MD 1.800 . 6.000 3.540 1.878 5.583 . 0 0 "[ . 1 . 2]" 1
58 1 5 ARG HA 1 25 ILE MG 1.800 . 5.000 3.620 2.008 4.757 . 0 0 "[ . 1 . 2]" 1
59 1 5 ARG QB 1 25 ILE MG 1.800 . 5.000 4.042 1.940 4.999 . 0 0 "[ . 1 . 2]" 1
60 1 6 LEU H 1 6 LEU HB3 1.800 . 4.000 3.081 2.670 3.519 . 0 0 "[ . 1 . 2]" 1
61 1 6 LEU H 1 6 LEU HB2 1.800 . 4.000 2.161 2.058 2.361 . 0 0 "[ . 1 . 2]" 1
62 1 6 LEU H 1 6 LEU MD1 1.800 . 6.000 3.509 2.216 4.321 . 0 0 "[ . 1 . 2]" 1
63 1 6 LEU H 1 6 LEU MD2 1.800 . 6.000 4.070 2.436 4.428 . 0 0 "[ . 1 . 2]" 1
64 1 6 LEU H 1 6 LEU QD 1.800 . 4.500 3.191 2.195 3.590 . 0 0 "[ . 1 . 2]" 1
65 1 6 LEU HA 1 7 LYS H 1.800 . 3.000 2.299 2.196 2.544 . 0 0 "[ . 1 . 2]" 1
66 1 6 LEU H 1 7 LYS H 1.800 . 6.000 4.617 4.576 4.643 . 0 0 "[ . 1 . 2]" 1
67 1 6 LEU HB3 1 7 LYS H 1.800 . 6.000 3.245 2.284 3.894 . 0 0 "[ . 1 . 2]" 1
68 1 6 LEU HB2 1 7 LYS H 1.800 . 6.000 4.137 3.741 4.305 . 0 0 "[ . 1 . 2]" 1
69 1 6 LEU QB 1 7 LYS H 1.800 . 5.000 3.119 2.264 3.581 . 0 0 "[ . 1 . 2]" 1
70 1 6 LEU MD1 1 7 LYS H 1.800 . 6.000 3.511 1.961 4.626 . 0 0 "[ . 1 . 2]" 1
71 1 6 LEU MD2 1 7 LYS H 1.800 . 6.000 3.545 2.338 4.910 . 0 0 "[ . 1 . 2]" 1
72 1 6 LEU H 1 24 ASP H 1.800 . 6.000 3.803 3.406 4.251 . 0 0 "[ . 1 . 2]" 1
73 1 6 LEU H 1 25 ILE HA 1.800 . 6.000 3.383 2.782 4.082 . 0 0 "[ . 1 . 2]" 1
74 1 6 LEU QB 1 8 PHE H 1.800 . 5.000 3.371 2.848 4.005 . 0 0 "[ . 1 . 2]" 1
75 1 6 LEU HB3 1 23 GLY H 1.800 . 5.000 3.137 2.380 4.235 . 0 0 "[ . 1 . 2]" 1
76 1 6 LEU HB2 1 23 GLY H 1.800 . 5.000 4.102 3.047 4.459 . 0 0 "[ . 1 . 2]" 1
77 1 6 LEU QB 1 23 GLY H 1.800 . 4.500 2.998 2.360 3.844 . 0 0 "[ . 1 . 2]" 1
78 1 6 LEU HB3 1 24 ASP H 1.800 . 3.500 3.092 2.425 3.512 0.012 19 0 "[ . 1 . 2]" 1
79 1 6 LEU HB2 1 24 ASP H 1.800 . 3.500 3.382 2.590 3.519 0.019 2 0 "[ . 1 . 2]" 1
80 1 6 LEU QB 1 24 ASP H 1.800 . 3.000 2.804 2.383 3.024 0.024 4 0 "[ . 1 . 2]" 1
81 1 6 LEU MD1 1 24 ASP H 1.800 . 6.000 4.817 2.413 5.374 . 0 0 "[ . 1 . 2]" 1
82 1 6 LEU MD2 1 24 ASP H 1.800 . 6.000 4.104 3.320 5.329 . 0 0 "[ . 1 . 2]" 1
83 1 6 LEU HA 1 8 PHE H 1.800 . 6.000 3.928 3.676 4.333 . 0 0 "[ . 1 . 2]" 1
84 1 6 LEU QD 1 8 PHE H 1.800 . 5.000 2.686 1.904 4.564 . 0 0 "[ . 1 . 2]" 1
85 1 6 LEU HA 1 54 GLU H 1.800 . 5.000 3.685 3.186 4.074 . 0 0 "[ . 1 . 2]" 1
86 1 6 LEU QB 1 54 GLU H 1.800 . 6.000 5.626 5.177 6.016 0.016 2 0 "[ . 1 . 2]" 1
87 1 6 LEU QD 1 54 GLU H 1.800 . 6.000 4.480 3.094 5.318 . 0 0 "[ . 1 . 2]" 1
88 1 6 LEU QB 1 6 LEU QD 1.800 . 5.000 1.872 1.752 2.057 0.048 4 0 "[ . 1 . 2]" 1
89 1 6 LEU MD1 1 6 LEU MD2 1.800 . 4.000 2.025 1.916 2.092 . 0 0 "[ . 1 . 2]" 1
90 1 6 LEU HA 1 6 LEU QD 1.800 . 5.000 2.421 1.865 2.891 . 0 0 "[ . 1 . 2]" 1
91 1 6 LEU HA 1 7 LYS QB 1.800 . 5.000 4.009 3.762 4.318 . 0 0 "[ . 1 . 2]" 1
92 1 6 LEU HA 1 7 LYS QG 1.800 . 5.000 4.452 3.593 5.012 0.012 14 0 "[ . 1 . 2]" 1
93 1 6 LEU HB3 1 22 LYS HA 1.800 . 6.000 2.501 1.899 3.759 . 0 0 "[ . 1 . 2]" 1
94 1 6 LEU HB2 1 22 LYS HA 1.800 . 5.000 4.025 2.963 5.002 0.002 4 0 "[ . 1 . 2]" 1
95 1 6 LEU QD 1 24 ASP QB 1.800 . 6.000 3.059 1.794 4.345 0.006 18 0 "[ . 1 . 2]" 1
96 1 6 LEU HA 1 53 VAL HA 1.800 . 4.000 3.139 2.407 3.739 . 0 0 "[ . 1 . 2]" 1
97 1 6 LEU HA 1 53 VAL HB 1.800 . 6.000 4.104 2.730 5.205 . 0 0 "[ . 1 . 2]" 1
98 1 6 LEU HA 1 53 VAL QG 1.800 . 4.000 2.451 1.796 3.461 0.004 7 0 "[ . 1 . 2]" 1
99 1 6 LEU MD1 1 53 VAL QG 1.800 . 5.000 2.646 1.802 4.256 . 0 0 "[ . 1 . 2]" 1
100 1 6 LEU MD2 1 53 VAL QG 1.800 . 5.000 3.843 1.806 5.003 0.003 15 0 "[ . 1 . 2]" 1
101 1 6 LEU QD 1 53 VAL QG 1.800 . 4.500 2.391 1.792 3.589 0.008 5 0 "[ . 1 . 2]" 1
102 1 6 LEU MD1 1 53 VAL HA 1.800 . 6.000 3.742 2.001 6.002 0.002 18 0 "[ . 1 . 2]" 1
103 1 6 LEU MD2 1 53 VAL HA 1.800 . 6.000 4.813 2.112 6.006 0.006 9 0 "[ . 1 . 2]" 1
104 1 6 LEU HG 1 53 VAL HA 1.800 . 5.000 4.259 2.797 5.013 0.013 5 0 "[ . 1 . 2]" 1
105 1 6 LEU HG 1 20 LEU QD 1.800 . 6.000 3.485 1.846 4.383 . 0 0 "[ . 1 . 2]" 1
106 1 6 LEU QD 1 20 LEU QD 1.800 . 5.000 1.936 1.778 2.574 0.022 2 0 "[ . 1 . 2]" 1
107 1 7 LYS H 1 7 LYS QD 1.800 . 6.000 4.593 3.419 5.110 . 0 0 "[ . 1 . 2]" 1
108 1 7 LYS HA 1 8 PHE H 1.800 . 5.000 3.139 2.813 3.531 . 0 0 "[ . 1 . 2]" 1
109 1 7 LYS H 1 8 PHE H 1.800 . 3.500 2.048 1.893 2.331 . 0 0 "[ . 1 . 2]" 1
110 1 7 LYS HB3 1 8 PHE H 1.800 . 5.000 4.049 3.088 4.521 . 0 0 "[ . 1 . 2]" 1
111 1 7 LYS HB2 1 8 PHE H 1.800 . 5.000 3.980 3.195 4.534 . 0 0 "[ . 1 . 2]" 1
112 1 7 LYS QG 1 8 PHE H 1.800 . 6.000 4.558 3.546 4.856 . 0 0 "[ . 1 . 2]" 1
113 1 7 LYS H 1 52 TYR QB 1.800 . 6.000 5.110 4.122 5.913 . 0 0 "[ . 1 . 2]" 1
114 1 7 LYS H 1 53 VAL HA 1.800 . 5.000 3.491 2.791 4.156 . 0 0 "[ . 1 . 2]" 1
115 1 7 LYS H 1 54 GLU H 1.800 . 5.000 4.701 4.288 5.009 0.009 18 0 "[ . 1 . 2]" 1
116 1 7 LYS QB 1 54 GLU H 1.800 . 5.500 4.515 3.506 5.470 . 0 0 "[ . 1 . 2]" 1
117 1 7 LYS QB 1 7 LYS QD 1.800 . 5.000 2.149 1.946 2.529 . 0 0 "[ . 1 . 2]" 1
118 1 7 LYS QB 1 53 VAL HA 1.800 . 5.500 4.083 2.891 5.504 0.004 5 0 "[ . 1 . 2]" 1
119 1 7 LYS HA 1 22 LYS QG 1.800 . 5.000 2.673 1.830 4.614 . 0 0 "[ . 1 . 2]" 1
120 1 7 LYS QD 1 22 LYS QG 1.800 . 4.500 4.388 3.946 4.511 0.011 8 0 "[ . 1 . 2]" 1
121 1 7 LYS QG 1 22 LYS HB3 1.800 . 6.000 5.109 3.039 6.036 0.036 5 0 "[ . 1 . 2]" 1
122 1 7 LYS QG 1 22 LYS HB2 1.800 . 6.000 5.291 4.342 6.015 0.015 14 0 "[ . 1 . 2]" 1
123 1 7 LYS QD 1 53 VAL QG 1.800 . 6.000 5.840 5.016 6.009 0.009 8 0 "[ . 1 . 2]" 1
124 1 8 PHE H 1 8 PHE QE 1.800 . 5.000 4.776 4.438 4.887 . 0 0 "[ . 1 . 2]" 1
125 1 8 PHE HA 1 9 ASP H 1.800 . 3.000 2.179 2.130 2.338 . 0 0 "[ . 1 . 2]" 1
126 1 8 PHE H 1 9 ASP H 1.800 . 6.000 3.967 3.645 4.385 . 0 0 "[ . 1 . 2]" 1
127 1 8 PHE HB3 1 9 ASP H 1.800 . 5.000 3.749 3.202 4.408 . 0 0 "[ . 1 . 2]" 1
128 1 8 PHE HB2 1 9 ASP H 1.800 . 5.000 4.045 2.643 4.489 . 0 0 "[ . 1 . 2]" 1
129 1 8 PHE QB 1 9 ASP H 1.800 . 4.500 3.372 2.606 3.741 . 0 0 "[ . 1 . 2]" 1
130 1 8 PHE H 1 20 LEU HG 1.800 . 6.000 5.946 5.577 6.048 0.048 4 0 "[ . 1 . 2]" 1
131 1 8 PHE H 1 53 VAL HA 1.800 . 6.000 5.047 3.820 5.967 . 0 0 "[ . 1 . 2]" 1
132 1 8 PHE HA 1 22 LYS QB 1.800 . 6.000 3.642 1.957 5.646 . 0 0 "[ . 1 . 2]" 1
133 1 8 PHE QB 1 22 LYS QG 1.800 . 6.000 4.740 3.890 5.972 . 0 0 "[ . 1 . 2]" 1
134 1 8 PHE QB 1 52 TYR HA 1.800 . 6.000 4.234 2.776 6.009 0.009 8 0 "[ . 1 . 2]" 1
135 1 8 PHE QD 1 52 TYR HA 1.800 . 4.000 3.438 2.379 4.105 0.105 14 0 "[ . 1 . 2]" 1
136 1 8 PHE QE 1 52 TYR HA 1.800 . 5.000 3.603 1.776 4.722 0.024 14 0 "[ . 1 . 2]" 1
137 1 9 ASP H 1 9 ASP HB3 1.800 . 4.000 2.692 2.466 3.688 . 0 0 "[ . 1 . 2]" 1
138 1 9 ASP H 1 9 ASP HB2 1.800 . 4.000 3.322 2.357 3.597 . 0 0 "[ . 1 . 2]" 1
139 1 9 ASP H 1 9 ASP QB 1.800 . 3.000 2.484 2.220 2.660 . 0 0 "[ . 1 . 2]" 1
140 1 9 ASP HA 1 10 PHE H 1.800 . 3.000 2.211 2.139 2.483 . 0 0 "[ . 1 . 2]" 1
141 1 9 ASP H 1 10 PHE H 1.800 . 5.000 4.337 3.710 4.626 . 0 0 "[ . 1 . 2]" 1
142 1 9 ASP QB 1 10 PHE H 1.800 . 5.000 3.530 2.848 3.979 . 0 0 "[ . 1 . 2]" 1
143 1 9 ASP H 1 21 GLN QG 1.800 . 4.000 3.978 3.567 4.053 0.053 4 0 "[ . 1 . 2]" 1
144 1 9 ASP H 1 22 LYS HB3 1.800 . 6.000 4.549 2.502 6.017 0.017 2 0 "[ . 1 . 2]" 1
145 1 9 ASP H 1 22 LYS HB2 1.800 . 6.000 4.176 2.191 5.364 . 0 0 "[ . 1 . 2]" 1
146 1 9 ASP H 1 22 LYS QB 1.800 . 5.000 3.599 2.154 4.997 . 0 0 "[ . 1 . 2]" 1
147 1 9 ASP H 1 22 LYS QG 1.800 . 4.000 3.567 2.484 4.022 0.022 5 0 "[ . 1 . 2]" 1
148 1 9 ASP H 1 22 LYS H 1.800 . 5.000 3.476 2.799 4.149 . 0 0 "[ . 1 . 2]" 1
149 1 9 ASP HA 1 21 GLN HA 1.800 . 4.000 2.110 1.834 2.545 . 0 0 "[ . 1 . 2]" 1
150 1 9 ASP QB 1 21 GLN HA 1.800 . 5.000 2.647 1.992 3.741 . 0 0 "[ . 1 . 2]" 1
151 1 9 ASP HA 1 21 GLN QG 1.800 . 6.000 3.196 1.914 3.914 . 0 0 "[ . 1 . 2]" 1
152 1 10 PHE H 1 11 GLN H 1.800 . 5.000 4.443 4.194 4.530 . 0 0 "[ . 1 . 2]" 1
153 1 10 PHE HA 1 11 GLN H 1.800 . 3.000 2.197 2.146 2.235 . 0 0 "[ . 1 . 2]" 1
154 1 10 PHE HB3 1 11 GLN H 1.800 . 6.000 3.734 3.031 4.290 . 0 0 "[ . 1 . 2]" 1
155 1 10 PHE HB2 1 11 GLN H 1.800 . 5.500 4.258 4.143 4.372 . 0 0 "[ . 1 . 2]" 1
156 1 10 PHE QD 1 11 GLN H 1.800 . 5.000 3.033 2.000 3.907 . 0 0 "[ . 1 . 2]" 1
157 1 10 PHE H 1 20 LEU H 1.800 . 4.500 3.453 2.896 4.488 . 0 0 "[ . 1 . 2]" 1
158 1 10 PHE H 1 21 GLN HA 1.800 . 5.000 3.586 2.987 4.005 . 0 0 "[ . 1 . 2]" 1
159 1 10 PHE HB3 1 20 LEU H 1.800 . 5.000 3.867 3.278 4.837 . 0 0 "[ . 1 . 2]" 1
160 1 10 PHE HB2 1 20 LEU H 1.800 . 5.000 4.913 4.630 5.007 0.007 14 0 "[ . 1 . 2]" 1
161 1 10 PHE HA 1 10 PHE QD 1.800 . 5.500 2.527 1.995 3.001 . 0 0 "[ . 1 . 2]" 1
162 1 10 PHE HA 1 10 PHE QE 1.800 . 6.000 4.378 4.202 4.611 . 0 0 "[ . 1 . 2]" 1
163 1 11 GLN H 1 11 GLN HB3 1.800 . 3.000 2.847 2.513 3.002 0.002 2 0 "[ . 1 . 2]" 1
164 1 11 GLN H 1 11 GLN HG2 1.800 . 6.000 3.755 1.992 4.815 . 0 0 "[ . 1 . 2]" 1
165 1 11 GLN HA 1 12 ALA H 1.800 . 3.000 2.164 2.141 2.221 . 0 0 "[ . 1 . 2]" 1
166 1 11 GLN HB3 1 12 ALA H 1.800 . 5.500 4.060 3.556 4.299 . 0 0 "[ . 1 . 2]" 1
167 1 11 GLN HG2 1 12 ALA H 1.800 . 6.000 4.217 3.041 5.576 . 0 0 "[ . 1 . 2]" 1
168 1 11 GLN HA 1 20 LEU H 1.800 . 5.000 4.342 3.135 4.805 . 0 0 "[ . 1 . 2]" 1
169 1 11 GLN HA 1 19 THR HA 1.800 . 6.000 3.317 2.436 3.619 . 0 0 "[ . 1 . 2]" 1
170 1 11 GLN HA 1 19 THR MG 1.800 . 5.000 1.974 1.882 2.371 . 0 0 "[ . 1 . 2]" 1
171 1 12 ALA H 1 12 ALA MB 1.800 . 3.000 2.204 2.051 2.268 . 0 0 "[ . 1 . 2]" 1
172 1 12 ALA HA 1 13 GLN H 1.800 . 3.000 2.174 2.142 2.206 . 0 0 "[ . 1 . 2]" 1
173 1 12 ALA MB 1 13 GLN H 1.800 . 3.500 3.120 2.935 3.505 0.005 3 0 "[ . 1 . 2]" 1
174 1 12 ALA MB 1 14 SER H 1.800 . 3.500 3.446 3.277 3.510 0.010 6 0 "[ . 1 . 2]" 1
175 1 12 ALA MB 1 17 GLU H 1.800 . 4.500 3.738 3.441 3.987 . 0 0 "[ . 1 . 2]" 1
176 1 12 ALA H 1 19 THR HA 1.800 . 5.000 2.837 1.990 3.184 . 0 0 "[ . 1 . 2]" 1
177 1 12 ALA H 1 20 LEU H 1.800 . 5.000 4.727 3.923 5.004 0.004 19 0 "[ . 1 . 2]" 1
178 1 12 ALA HA 1 13 GLN QB 1.800 . 5.000 4.596 4.524 4.673 . 0 0 "[ . 1 . 2]" 1
179 1 12 ALA HA 1 13 GLN QG 1.800 . 5.000 3.551 3.356 3.961 . 0 0 "[ . 1 . 2]" 1
180 1 12 ALA MB 1 17 GLU HB3 1.800 . 5.000 2.082 1.830 2.864 . 0 0 "[ . 1 . 2]" 1
181 1 12 ALA MB 1 17 GLU HB2 1.800 . 6.000 2.432 2.084 3.066 . 0 0 "[ . 1 . 2]" 1
182 1 12 ALA MB 1 17 GLU QG 1.800 . 6.000 3.770 3.328 4.440 . 0 0 "[ . 1 . 2]" 1
183 1 12 ALA MB 1 19 THR HA 1.800 . 6.000 3.073 2.661 3.454 . 0 0 "[ . 1 . 2]" 1
184 1 12 ALA MB 1 19 THR HB 1.800 . 4.000 3.766 3.529 4.000 . 0 0 "[ . 1 . 2]" 1
185 1 13 GLN H 1 13 GLN HB3 1.800 . 3.500 3.186 2.792 3.555 0.055 6 0 "[ . 1 . 2]" 1
186 1 13 GLN H 1 13 GLN HB2 1.800 . 3.500 3.445 2.817 3.579 0.079 9 0 "[ . 1 . 2]" 1
187 1 13 GLN H 1 13 GLN QB 1.800 . 3.000 2.896 2.695 3.017 0.017 11 0 "[ . 1 . 2]" 1
188 1 13 GLN HB3 1 14 SER H 1.800 . 5.000 4.098 3.898 4.197 . 0 0 "[ . 1 . 2]" 1
189 1 13 GLN HB2 1 14 SER H 1.800 . 3.500 3.368 2.582 3.512 0.012 18 0 "[ . 1 . 2]" 1
190 1 13 GLN QG 1 14 SER H 1.800 . 3.500 2.310 1.957 3.520 0.020 6 0 "[ . 1 . 2]" 1
191 1 13 GLN HA 1 14 SER H 1.800 . 4.000 3.518 3.500 3.535 . 0 0 "[ . 1 . 2]" 1
192 1 13 GLN H 1 14 SER H 1.800 . 3.000 2.275 2.079 2.672 . 0 0 "[ . 1 . 2]" 1
193 1 13 GLN H 1 17 GLU HB3 1.800 . 5.500 3.635 3.110 4.326 . 0 0 "[ . 1 . 2]" 1
194 1 13 GLN H 1 17 GLU HB2 1.800 . 5.000 3.399 2.899 3.980 . 0 0 "[ . 1 . 2]" 1
195 1 13 GLN H 1 17 GLU QB 1.800 . 5.000 3.118 2.666 3.669 . 0 0 "[ . 1 . 2]" 1
196 1 14 SER QB 1 16 LYS H 1.800 . 5.000 2.693 2.326 3.478 . 0 0 "[ . 1 . 2]" 1
197 1 14 SER HA 1 15 PRO HD3 1.800 . 5.000 2.090 1.952 2.487 . 0 0 "[ . 1 . 2]" 1
198 1 14 SER HA 1 15 PRO HD2 1.800 . 4.000 2.672 2.196 2.876 . 0 0 "[ . 1 . 2]" 1
199 1 14 SER HB3 1 17 GLU HG2 1.800 . 6.000 4.870 3.350 6.000 0.000 20 0 "[ . 1 . 2]" 1
200 1 14 SER HB2 1 17 GLU HG2 1.800 . 6.000 4.724 3.411 5.732 . 0 0 "[ . 1 . 2]" 1
201 1 15 PRO HA 1 16 LYS H 1.800 . 5.000 3.506 3.494 3.509 . 0 0 "[ . 1 . 2]" 1
202 1 15 PRO QB 1 16 LYS H 1.800 . 5.000 2.943 2.818 3.301 . 0 0 "[ . 1 . 2]" 1
203 1 15 PRO QD 1 16 LYS H 1.800 . 5.000 2.736 2.660 2.881 . 0 0 "[ . 1 . 2]" 1
204 1 15 PRO HA 1 17 GLU H 1.800 . 5.000 4.219 4.092 4.438 . 0 0 "[ . 1 . 2]" 1
205 1 15 PRO HA 1 15 PRO HD2 1.800 . 6.000 3.974 3.932 4.098 . 0 0 "[ . 1 . 2]" 1
206 1 15 PRO HA 1 17 GLU QB 1.800 . 6.000 5.057 4.898 5.228 . 0 0 "[ . 1 . 2]" 1
207 1 15 PRO QB 1 17 GLU QB 1.800 . 6.000 5.949 5.817 6.013 0.013 15 0 "[ . 1 . 2]" 1
208 1 16 LYS H 1 17 GLU H 1.800 . 3.000 2.425 2.240 2.500 . 0 0 "[ . 1 . 2]" 1
209 1 16 LYS HA 1 17 GLU H 1.800 . 5.000 3.481 3.473 3.483 . 0 0 "[ . 1 . 2]" 1
210 1 16 LYS HB3 1 17 GLU H 1.800 . 5.000 3.312 2.898 4.120 . 0 0 "[ . 1 . 2]" 1
211 1 16 LYS HB2 1 17 GLU H 1.800 . 5.000 3.746 3.078 4.008 . 0 0 "[ . 1 . 2]" 1
212 1 16 LYS H 1 16 LYS QB 1.800 . 3.500 2.308 2.073 2.692 . 0 0 "[ . 1 . 2]" 1
213 1 16 LYS QE 1 47 ILE HB 1.800 . 6.000 5.019 4.140 5.879 . 0 0 "[ . 1 . 2]" 1
214 1 16 LYS QE 1 47 ILE MG 1.800 . 6.000 4.983 4.165 5.756 . 0 0 "[ . 1 . 2]" 1
215 1 17 GLU HA 1 18 LEU H 1.800 . 3.000 2.431 2.245 2.578 . 0 0 "[ . 1 . 2]" 1
216 1 17 GLU HB3 1 18 LEU H 1.800 . 5.000 2.457 2.154 2.920 . 0 0 "[ . 1 . 2]" 1
217 1 17 GLU HB2 1 18 LEU H 1.800 . 5.000 3.844 3.621 4.135 . 0 0 "[ . 1 . 2]" 1
218 1 17 GLU HG2 1 18 LEU H 1.800 . 6.000 3.690 3.323 4.542 . 0 0 "[ . 1 . 2]" 1
219 1 17 GLU H 1 18 LEU H 1.800 . 5.000 4.601 4.547 4.645 . 0 0 "[ . 1 . 2]" 1
220 1 17 GLU H 1 17 GLU HB3 1.800 . 3.500 3.484 3.342 3.525 0.025 11 0 "[ . 1 . 2]" 1
221 1 17 GLU H 1 17 GLU HB2 1.800 . 3.500 2.189 2.111 2.243 . 0 0 "[ . 1 . 2]" 1
222 1 17 GLU H 1 17 GLU HG2 1.800 . 4.000 3.650 3.223 4.009 0.009 2 0 "[ . 1 . 2]" 1
223 1 17 GLU H 1 47 ILE MD 1.800 . 6.000 5.875 5.391 6.016 0.016 19 0 "[ . 1 . 2]" 1
224 1 17 GLU HA 1 47 ILE H 1.800 . 4.000 2.780 2.162 3.269 . 0 0 "[ . 1 . 2]" 1
225 1 17 GLU HB3 1 47 ILE H 1.800 . 6.000 4.774 4.360 5.061 . 0 0 "[ . 1 . 2]" 1
226 1 17 GLU HG3 1 47 ILE H 1.800 . 6.000 5.526 4.391 6.005 0.005 16 0 "[ . 1 . 2]" 1
227 1 17 GLU QG 1 47 ILE MD 1.800 . 5.000 4.569 3.934 5.013 0.013 18 0 "[ . 1 . 2]" 1
228 1 17 GLU QG 1 47 ILE MG 1.800 . 6.000 3.557 3.169 3.987 . 0 0 "[ . 1 . 2]" 1
229 1 18 LEU H 1 18 LEU HB3 1.800 . 3.500 2.756 2.595 3.064 . 0 0 "[ . 1 . 2]" 1
230 1 18 LEU H 1 18 LEU HB2 1.800 . 4.000 3.050 2.771 3.214 . 0 0 "[ . 1 . 2]" 1
231 1 18 LEU H 1 18 LEU QD 1.800 . 4.500 3.875 3.639 3.980 . 0 0 "[ . 1 . 2]" 1
232 1 18 LEU HA 1 19 THR H 1.800 . 3.500 2.181 2.155 2.186 . 0 0 "[ . 1 . 2]" 1
233 1 18 LEU QB 1 19 THR H 1.800 . 5.000 3.640 3.512 3.735 . 0 0 "[ . 1 . 2]" 1
234 1 18 LEU QD 1 19 THR H 1.800 . 4.500 2.857 1.896 3.268 . 0 0 "[ . 1 . 2]" 1
235 1 18 LEU H 1 19 THR H 1.800 . 6.000 4.367 4.300 4.409 . 0 0 "[ . 1 . 2]" 1
236 1 18 LEU H 1 47 ILE H 1.800 . 4.000 2.934 2.745 3.405 . 0 0 "[ . 1 . 2]" 1
237 1 18 LEU H 1 47 ILE HB 1.800 . 6.000 4.453 3.862 5.053 . 0 0 "[ . 1 . 2]" 1
238 1 18 LEU H 1 48 PHE HA 1.800 . 6.000 4.745 4.249 4.975 . 0 0 "[ . 1 . 2]" 1
239 1 18 LEU H 1 48 PHE QD 1.800 . 6.000 4.384 3.451 4.922 . 0 0 "[ . 1 . 2]" 1
240 1 18 LEU QD 1 41 HIS H 1.800 . 5.000 4.309 3.450 4.910 . 0 0 "[ . 1 . 2]" 1
241 1 18 LEU QB 1 47 ILE H 1.800 . 5.000 2.846 1.989 3.215 . 0 0 "[ . 1 . 2]" 1
242 1 18 LEU HA 1 18 LEU QD 1.800 . 4.000 2.586 1.883 3.099 . 0 0 "[ . 1 . 2]" 1
243 1 18 LEU QD 1 20 LEU QD 1.800 . 6.000 2.518 1.799 3.318 0.001 12 0 "[ . 1 . 2]" 1
244 1 18 LEU QD 1 26 VAL QG 1.800 . 4.500 3.398 2.586 3.930 . 0 0 "[ . 1 . 2]" 1
245 1 18 LEU QD 1 40 GLU HA 1.800 . 6.000 4.253 3.183 4.801 . 0 0 "[ . 1 . 2]" 1
246 1 18 LEU QD 1 41 HIS HB3 1.800 . 6.000 3.941 2.865 5.471 . 0 0 "[ . 1 . 2]" 1
247 1 18 LEU QD 1 41 HIS HB2 1.800 . 6.000 4.329 2.782 5.761 . 0 0 "[ . 1 . 2]" 1
248 1 18 LEU QD 1 44 ARG QB 1.800 . 6.000 3.197 2.796 3.831 . 0 0 "[ . 1 . 2]" 1
249 1 18 LEU QD 1 45 LEU HA 1.800 . 6.000 4.440 3.929 4.891 . 0 0 "[ . 1 . 2]" 1
250 1 18 LEU QD 1 46 GLY QA 1.800 . 6.000 2.024 1.855 2.339 . 0 0 "[ . 1 . 2]" 1
251 1 19 THR H 1 19 THR HB 1.800 . 3.000 2.488 2.388 2.551 . 0 0 "[ . 1 . 2]" 1
252 1 19 THR H 1 19 THR HG1 1.800 . 3.500 2.866 2.301 3.254 . 0 0 "[ . 1 . 2]" 1
253 1 19 THR H 1 20 LEU H 1.800 . 5.000 4.466 4.370 4.550 . 0 0 "[ . 1 . 2]" 1
254 1 19 THR HA 1 20 LEU H 1.800 . 3.000 2.149 2.140 2.181 . 0 0 "[ . 1 . 2]" 1
255 1 19 THR HB 1 20 LEU H 1.800 . 6.000 4.226 4.104 4.313 . 0 0 "[ . 1 . 2]" 1
256 1 19 THR HG1 1 20 LEU H 1.800 . 3.500 2.627 2.302 2.885 . 0 0 "[ . 1 . 2]" 1
257 1 19 THR MG 1 21 GLN HA 1.800 . 5.000 4.877 4.683 5.006 0.006 2 0 "[ . 1 . 2]" 1
258 1 20 LEU HA 1 21 GLN H 1.800 . 3.000 2.260 2.188 2.366 . 0 0 "[ . 1 . 2]" 1
259 1 20 LEU H 1 20 LEU QD 1.800 . 6.000 2.649 1.810 3.971 . 0 0 "[ . 1 . 2]" 1
260 1 20 LEU H 1 20 LEU HG 1.800 . 4.500 3.631 2.630 4.550 0.050 2 0 "[ . 1 . 2]" 1
261 1 20 LEU H 1 21 GLN H 1.800 . 6.000 4.382 4.279 4.499 . 0 0 "[ . 1 . 2]" 1
262 1 20 LEU QD 1 41 HIS HB3 1.800 . 6.000 5.407 4.533 5.998 . 0 0 "[ . 1 . 2]" 1
263 1 20 LEU QD 1 41 HIS HB2 1.800 . 6.000 5.298 4.028 6.008 0.008 4 0 "[ . 1 . 2]" 1
264 1 20 LEU QD 1 41 HIS QB 1.800 . 5.000 4.720 3.799 5.008 0.008 9 0 "[ . 1 . 2]" 1
265 1 20 LEU QD 1 49 PRO QD 1.800 . 6.000 5.311 4.195 6.021 0.021 2 0 "[ . 1 . 2]" 1
266 1 20 LEU QD 1 48 PHE HB3 1.800 . 6.000 3.621 2.575 4.770 . 0 0 "[ . 1 . 2]" 1
267 1 21 GLN H 1 21 GLN QB 1.800 . 3.000 2.376 2.194 2.605 . 0 0 "[ . 1 . 2]" 1
268 1 21 GLN H 1 21 GLN QG 1.800 . 4.500 4.011 3.877 4.135 . 0 0 "[ . 1 . 2]" 1
269 1 21 GLN HA 1 22 LYS H 1.800 . 3.000 2.396 2.318 2.424 . 0 0 "[ . 1 . 2]" 1
270 1 21 GLN H 1 24 ASP QB 1.800 . 6.000 3.325 2.431 4.489 . 0 0 "[ . 1 . 2]" 1
271 1 21 GLN H 1 24 ASP H 1.800 . 6.000 4.877 3.918 5.865 . 0 0 "[ . 1 . 2]" 1
272 1 22 LYS H 1 22 LYS HB3 1.800 . 4.000 2.995 2.325 3.592 . 0 0 "[ . 1 . 2]" 1
273 1 22 LYS H 1 22 LYS HB2 1.800 . 3.500 2.707 2.064 3.565 0.065 8 0 "[ . 1 . 2]" 1
274 1 22 LYS H 1 22 LYS QB 1.800 . 3.000 2.337 2.039 2.576 . 0 0 "[ . 1 . 2]" 1
275 1 22 LYS H 1 22 LYS QE 1.800 . 6.000 4.554 3.151 5.657 . 0 0 "[ . 1 . 2]" 1
276 1 22 LYS H 1 22 LYS QG 1.800 . 5.000 2.923 1.966 4.002 . 0 0 "[ . 1 . 2]" 1
277 1 22 LYS HA 1 23 GLY H 1.800 . 3.000 2.242 2.145 2.388 . 0 0 "[ . 1 . 2]" 1
278 1 22 LYS HB2 1 23 GLY H 1.800 . 5.000 3.756 2.503 4.440 . 0 0 "[ . 1 . 2]" 1
279 1 22 LYS QG 1 23 GLY H 1.800 . 4.000 3.380 2.195 4.013 0.013 9 0 "[ . 1 . 2]" 1
280 1 22 LYS H 1 23 GLY H 1.800 . 6.000 4.619 4.521 4.647 . 0 0 "[ . 1 . 2]" 1
281 1 22 LYS HA 1 24 ASP H 1.800 . 5.000 3.263 3.117 3.451 . 0 0 "[ . 1 . 2]" 1
282 1 22 LYS HA 1 22 LYS QE 1.800 . 6.000 4.775 3.620 5.570 . 0 0 "[ . 1 . 2]" 1
283 1 23 GLY QA 1 24 ASP H 1.800 . 5.000 2.923 2.896 2.937 . 0 0 "[ . 1 . 2]" 1
284 1 23 GLY H 1 24 ASP H 1.800 . 3.500 2.540 2.434 2.686 . 0 0 "[ . 1 . 2]" 1
285 1 24 ASP H 1 24 ASP HB2 1.800 . 4.000 2.285 2.148 2.548 . 0 0 "[ . 1 . 2]" 1
286 1 24 ASP HA 1 25 ILE H 1.800 . 3.000 2.197 2.152 2.269 . 0 0 "[ . 1 . 2]" 1
287 1 24 ASP QB 1 25 ILE H 1.800 . 5.000 3.258 2.865 3.655 . 0 0 "[ . 1 . 2]" 1
288 1 24 ASP HB3 1 26 VAL MG2 1.800 . 6.000 4.884 4.321 6.008 0.008 10 0 "[ . 1 . 2]" 1
289 1 25 ILE H 1 25 ILE HB 1.800 . 4.000 3.141 2.687 3.767 . 0 0 "[ . 1 . 2]" 1
290 1 25 ILE H 1 25 ILE MD 1.800 . 5.000 3.920 3.353 4.634 . 0 0 "[ . 1 . 2]" 1
291 1 25 ILE H 1 25 ILE HG13 1.800 . 5.000 3.596 1.959 4.903 . 0 0 "[ . 1 . 2]" 1
292 1 25 ILE H 1 25 ILE HG12 1.800 . 5.000 3.589 2.522 4.771 . 0 0 "[ . 1 . 2]" 1
293 1 25 ILE H 1 25 ILE QG 1.800 . 4.500 2.975 1.946 4.214 . 0 0 "[ . 1 . 2]" 1
294 1 25 ILE H 1 25 ILE MG 1.800 . 6.000 2.815 1.961 3.882 . 0 0 "[ . 1 . 2]" 1
295 1 25 ILE HA 1 26 VAL H 1.800 . 3.000 2.184 2.147 2.216 . 0 0 "[ . 1 . 2]" 1
296 1 25 ILE HB 1 26 VAL H 1.800 . 6.000 3.785 2.982 4.262 . 0 0 "[ . 1 . 2]" 1
297 1 25 ILE MD 1 26 VAL H 1.800 . 4.000 3.663 2.228 4.001 0.001 12 0 "[ . 1 . 2]" 1
298 1 25 ILE MG 1 26 VAL H 1.800 . 5.000 3.428 2.046 4.006 . 0 0 "[ . 1 . 2]" 1
299 1 26 VAL H 1 26 VAL MG1 1.800 . 3.000 2.955 2.099 3.014 0.014 17 0 "[ . 1 . 2]" 1
300 1 26 VAL HA 1 27 TYR H 1.800 . 3.000 2.341 2.234 2.441 . 0 0 "[ . 1 . 2]" 1
301 1 26 VAL HB 1 27 TYR H 1.800 . 3.500 2.587 2.271 3.594 0.094 10 0 "[ . 1 . 2]" 1
302 1 26 VAL MG1 1 27 TYR H 1.800 . 4.500 3.682 3.565 3.789 . 0 0 "[ . 1 . 2]" 1
303 1 26 VAL MG1 1 40 GLU H 1.800 . 5.000 4.513 3.846 5.008 0.008 2 0 "[ . 1 . 2]" 1
304 1 26 VAL HA 1 26 VAL MG2 1.800 . 4.500 3.162 2.539 3.206 . 0 0 "[ . 1 . 2]" 1
305 1 26 VAL MG2 1 41 HIS QB 1.800 . 5.000 4.404 2.507 5.003 0.003 18 0 "[ . 1 . 2]" 1
306 1 26 VAL QG 1 28 ILE MD 1.800 . 4.500 2.336 1.799 3.561 0.001 1 0 "[ . 1 . 2]" 1
307 1 26 VAL QG 1 28 ILE QG 1.800 . 5.000 3.522 2.988 4.358 . 0 0 "[ . 1 . 2]" 1
308 1 27 TYR HA 1 28 ILE H 1.800 . 3.000 2.149 2.132 2.201 . 0 0 "[ . 1 . 2]" 1
309 1 27 TYR HB3 1 28 ILE H 1.800 . 6.000 3.693 3.084 4.303 . 0 0 "[ . 1 . 2]" 1
310 1 27 TYR HB2 1 28 ILE H 1.800 . 6.000 4.267 3.470 4.570 . 0 0 "[ . 1 . 2]" 1
311 1 27 TYR H 1 27 TYR HB2 1.800 . 4.000 2.595 2.151 3.694 . 0 0 "[ . 1 . 2]" 1
312 1 27 TYR H 1 27 TYR QB 1.800 . 3.500 2.452 2.122 2.996 . 0 0 "[ . 1 . 2]" 1
313 1 27 TYR H 1 39 GLY QA 1.800 . 6.000 4.496 3.719 4.915 . 0 0 "[ . 1 . 2]" 1
314 1 27 TYR H 1 40 GLU H 1.800 . 5.000 3.488 2.323 4.372 . 0 0 "[ . 1 . 2]" 1
315 1 27 TYR HB3 1 40 GLU H 1.800 . 6.000 4.891 3.276 5.973 . 0 0 "[ . 1 . 2]" 1
316 1 27 TYR HB2 1 40 GLU H 1.800 . 6.000 4.256 3.172 5.370 . 0 0 "[ . 1 . 2]" 1
317 1 27 TYR QB 1 40 GLU H 1.800 . 5.000 3.911 3.099 5.004 0.004 6 0 "[ . 1 . 2]" 1
318 1 27 TYR HB2 1 28 ILE MD 1.800 . 5.000 4.993 4.833 5.020 0.020 12 0 "[ . 1 . 2]" 1
319 1 28 ILE HA 1 29 HIS H 1.800 . 3.500 2.179 2.149 2.205 . 0 0 "[ . 1 . 2]" 1
320 1 28 ILE MG 1 29 HIS H 1.800 . 5.000 2.317 2.059 2.563 . 0 0 "[ . 1 . 2]" 1
321 1 27 TYR H 1 28 ILE H 1.800 . 6.000 4.368 4.228 4.554 . 0 0 "[ . 1 . 2]" 1
322 1 28 ILE H 1 28 ILE HB 1.800 . 3.000 2.678 2.484 2.817 . 0 0 "[ . 1 . 2]" 1
323 1 28 ILE H 1 28 ILE QG 1.800 . 4.000 2.404 1.955 3.189 . 0 0 "[ . 1 . 2]" 1
324 1 28 ILE HA 1 30 LYS H 1.800 . 6.000 4.223 3.725 4.694 . 0 0 "[ . 1 . 2]" 1
325 1 28 ILE MG 1 30 LYS H 1.800 . 5.000 2.705 1.970 3.337 . 0 0 "[ . 1 . 2]" 1
326 1 28 ILE HB 1 38 GLU H 1.800 . 6.000 5.923 5.416 6.021 0.021 10 0 "[ . 1 . 2]" 1
327 1 28 ILE MG 1 38 GLU H 1.800 . 4.000 2.958 2.514 3.131 . 0 0 "[ . 1 . 2]" 1
328 1 28 ILE HA 1 40 GLU H 1.800 . 6.000 3.856 2.931 4.843 . 0 0 "[ . 1 . 2]" 1
329 1 28 ILE MD 1 29 HIS QB 1.800 . 6.000 5.612 5.197 6.053 0.053 14 0 "[ . 1 . 2]" 1
330 1 28 ILE MG 1 30 LYS QG 1.800 . 5.000 3.933 3.511 4.436 . 0 0 "[ . 1 . 2]" 1
331 1 28 ILE MG 1 31 GLU HA 1.800 . 6.000 3.349 2.971 3.672 . 0 0 "[ . 1 . 2]" 1
332 1 29 HIS H 1 30 LYS H 1.800 . 4.500 2.339 2.018 2.756 . 0 0 "[ . 1 . 2]" 1
333 1 29 HIS HA 1 30 LYS H 1.800 . 5.000 3.541 3.446 3.568 . 0 0 "[ . 1 . 2]" 1
334 1 29 HIS H 1 38 GLU QB 1.800 . 4.500 3.374 1.937 4.503 0.003 1 0 "[ . 1 . 2]" 1
335 1 29 HIS H 1 39 GLY QA 1.800 . 5.000 3.076 1.977 4.306 . 0 0 "[ . 1 . 2]" 1
336 1 30 LYS HA 1 31 GLU H 1.800 . 3.000 2.259 2.221 2.321 . 0 0 "[ . 1 . 2]" 1
337 1 30 LYS HB2 1 31 GLU H 1.800 . 4.000 2.853 2.662 3.009 . 0 0 "[ . 1 . 2]" 1
338 1 30 LYS HB3 1 31 GLU H 1.800 . 4.000 3.928 3.753 4.025 0.025 2 0 "[ . 1 . 2]" 1
339 1 30 LYS H 1 30 LYS HB3 1.800 . 4.000 3.273 3.003 3.663 . 0 0 "[ . 1 . 2]" 1
340 1 30 LYS H 1 37 LEU HG 1.800 . 6.000 5.629 4.875 6.058 0.058 11 0 "[ . 1 . 2]" 1
341 1 30 LYS H 1 38 GLU H 1.800 . 5.500 3.566 2.352 4.581 . 0 0 "[ . 1 . 2]" 1
342 1 30 LYS H 1 39 GLY HA2 1.800 . 6.000 5.002 4.035 6.010 0.010 18 0 "[ . 1 . 2]" 1
343 1 30 LYS QD 1 32 VAL MG2 1.800 . 5.000 2.383 1.786 4.502 0.014 12 0 "[ . 1 . 2]" 1
344 1 30 LYS QE 1 32 VAL MG1 1.800 . 5.000 3.812 2.934 5.006 0.006 1 0 "[ . 1 . 2]" 1
345 1 30 LYS QE 1 37 LEU HG 1.800 . 5.000 5.003 4.847 5.035 0.035 2 0 "[ . 1 . 2]" 1
346 1 30 LYS HG2 1 38 GLU HG3 1.800 . 6.000 4.503 2.154 5.577 . 0 0 "[ . 1 . 2]" 1
347 1 30 LYS HG2 1 38 GLU HG2 1.800 . 5.000 4.190 2.404 4.970 . 0 0 "[ . 1 . 2]" 1
348 1 31 GLU HA 1 32 VAL H 1.800 . 3.000 2.129 2.100 2.153 . 0 0 "[ . 1 . 2]" 1
349 1 31 GLU HA 1 33 ASP H 1.800 . 5.000 5.093 5.024 5.160 0.160 11 0 "[ . 1 . 2]" 1
350 1 31 GLU HA 1 38 GLU H 1.800 . 5.000 3.721 3.200 4.043 . 0 0 "[ . 1 . 2]" 1
351 1 31 GLU HA 1 37 LEU HG 1.800 . 6.000 4.494 3.106 5.627 . 0 0 "[ . 1 . 2]" 1
352 1 31 GLU HA 1 37 LEU MD1 1.800 . 5.000 2.965 1.855 4.428 . 0 0 "[ . 1 . 2]" 1
353 1 31 GLU QB 1 37 LEU HA 1.800 . 5.000 5.011 4.757 5.042 0.042 18 0 "[ . 1 . 2]" 1
354 1 31 GLU QB 1 37 LEU MD1 1.800 . 6.000 3.817 2.390 5.618 . 0 0 "[ . 1 . 2]" 1
355 1 31 GLU HG3 1 37 LEU MD1 1.800 . 5.000 4.091 2.683 5.002 0.002 4 0 "[ . 1 . 2]" 1
356 1 31 GLU HG2 1 37 LEU MD2 1.800 . 5.000 4.785 4.154 5.006 0.006 15 0 "[ . 1 . 2]" 1
357 1 32 VAL HA 1 33 ASP H 1.800 . 4.000 2.154 2.114 2.208 . 0 0 "[ . 1 . 2]" 1
358 1 32 VAL HB 1 33 ASP H 1.800 . 4.000 4.125 4.050 4.232 0.232 17 0 "[ . 1 . 2]" 1
359 1 32 VAL QG 1 33 ASP H 1.800 . 5.000 3.271 3.073 3.497 . 0 0 "[ . 1 . 2]" 1
360 1 32 VAL H 1 32 VAL HB 1.800 . 3.500 3.041 2.850 3.311 . 0 0 "[ . 1 . 2]" 1
361 1 32 VAL H 1 32 VAL MG1 1.800 . 4.000 3.767 3.653 3.889 . 0 0 "[ . 1 . 2]" 1
362 1 32 VAL H 1 36 TRP QB 1.800 . 6.000 5.145 4.219 6.030 0.030 19 0 "[ . 1 . 2]" 1
363 1 32 VAL H 1 37 LEU HA 1.800 . 4.000 2.483 2.172 2.745 . 0 0 "[ . 1 . 2]" 1
364 1 32 VAL H 1 38 GLU H 1.800 . 6.000 3.873 2.812 4.606 . 0 0 "[ . 1 . 2]" 1
365 1 32 VAL HA 1 32 VAL MG1 1.800 . 4.000 2.090 1.966 2.212 . 0 0 "[ . 1 . 2]" 1
366 1 32 VAL HB 1 36 TRP QB 1.800 . 4.500 3.453 2.521 4.573 0.073 17 0 "[ . 1 . 2]" 1
367 1 32 VAL MG1 1 37 LEU HA 1.800 . 6.000 4.876 4.416 5.257 . 0 0 "[ . 1 . 2]" 1
368 1 32 VAL MG2 1 37 LEU HG 1.800 . 5.000 4.621 3.705 5.035 0.035 2 0 "[ . 1 . 2]" 1
369 1 33 ASP QB 1 35 ASN H 1.800 . 6.000 5.058 4.468 5.389 . 0 0 "[ . 1 . 2]" 1
370 1 33 ASP HA 1 34 LYS H 1.800 . 4.000 3.424 3.370 3.518 . 0 0 "[ . 1 . 2]" 1
371 1 33 ASP QB 1 34 LYS H 1.800 . 6.000 3.275 2.724 3.785 . 0 0 "[ . 1 . 2]" 1
372 1 33 ASP H 1 34 LYS H 1.800 . 4.000 2.705 2.587 2.785 . 0 0 "[ . 1 . 2]" 1
373 1 34 LYS HA 1 35 ASN H 1.800 . 4.000 3.534 3.425 3.565 . 0 0 "[ . 1 . 2]" 1
374 1 34 LYS QB 1 35 ASN H 1.800 . 5.000 2.661 2.271 3.661 . 0 0 "[ . 1 . 2]" 1
375 1 34 LYS QG 1 35 ASN H 1.800 . 6.000 3.774 1.883 4.594 . 0 0 "[ . 1 . 2]" 1
376 1 34 LYS H 1 34 LYS HA 1.800 . 3.000 2.783 2.741 2.866 . 0 0 "[ . 1 . 2]" 1
377 1 34 LYS H 1 34 LYS QG 1.800 . 4.500 3.118 1.966 4.014 . 0 0 "[ . 1 . 2]" 1
378 1 34 LYS H 1 36 TRP H 1.800 . 7.000 4.387 3.863 6.689 . 0 0 "[ . 1 . 2]" 1
379 1 35 ASN H 1 35 ASN QB 1.800 . 3.500 3.246 2.938 3.504 0.004 10 0 "[ . 1 . 2]" 1
380 1 35 ASN H 1 36 TRP H 1.800 . 4.000 2.125 1.711 4.042 0.089 6 0 "[ . 1 . 2]" 1
381 1 35 ASN HA 1 36 TRP H 1.800 . 3.000 2.988 2.845 3.097 0.097 17 0 "[ . 1 . 2]" 1
382 1 35 ASN HB2 1 49 PRO QB 1.800 . 6.000 5.530 4.126 6.059 0.059 17 0 "[ . 1 . 2]" 1
383 1 35 ASN HA 1 50 ALA MB 1.800 . 5.000 4.036 3.011 5.009 0.009 19 0 "[ . 1 . 2]" 1
384 1 36 TRP H 1 36 TRP HB3 1.800 . 3.500 3.490 3.266 3.566 0.066 2 0 "[ . 1 . 2]" 1
385 1 36 TRP H 1 36 TRP HB2 1.800 . 3.500 2.938 2.464 3.524 0.024 17 0 "[ . 1 . 2]" 1
386 1 36 TRP HA 1 37 LEU H 1.800 . 3.000 2.273 2.148 2.507 . 0 0 "[ . 1 . 2]" 1
387 1 36 TRP HB3 1 37 LEU H 1.800 . 5.000 3.351 2.530 3.981 . 0 0 "[ . 1 . 2]" 1
388 1 36 TRP QB 1 48 PHE H 1.800 . 6.000 5.032 2.764 5.931 . 0 0 "[ . 1 . 2]" 1
389 1 36 TRP HD1 1 48 PHE H 1.800 . 5.000 3.553 2.638 5.013 0.013 19 0 "[ . 1 . 2]" 1
390 1 36 TRP HA 1 50 ALA H 1.800 . 4.000 2.822 2.281 3.710 . 0 0 "[ . 1 . 2]" 1
391 1 36 TRP HA 1 36 TRP HD1 1.800 . 6.000 2.600 1.868 4.712 . 0 0 "[ . 1 . 2]" 1
392 1 36 TRP H 1 50 ALA MB 1.800 . 6.000 4.010 2.482 5.509 . 0 0 "[ . 1 . 2]" 1
393 1 36 TRP HA 1 49 PRO HA 1.800 . 5.000 2.258 1.795 3.090 0.005 17 0 "[ . 1 . 2]" 1
394 1 37 LEU H 1 37 LEU QB 1.800 . 4.000 2.595 2.200 3.165 . 0 0 "[ . 1 . 2]" 1
395 1 37 LEU H 1 37 LEU MD1 1.800 . 4.000 4.075 3.914 4.127 0.127 15 0 "[ . 1 . 2]" 1
396 1 37 LEU H 1 37 LEU MD2 1.800 . 4.000 3.743 1.902 4.123 0.123 13 0 "[ . 1 . 2]" 1
397 1 37 LEU HA 1 38 GLU H 1.800 . 3.000 2.377 2.217 2.644 . 0 0 "[ . 1 . 2]" 1
398 1 37 LEU H 1 37 LEU HG 1.800 . 5.000 3.671 2.629 4.416 . 0 0 "[ . 1 . 2]" 1
399 1 37 LEU HG 1 38 GLU H 1.800 . 6.000 2.841 1.972 3.963 . 0 0 "[ . 1 . 2]" 1
400 1 37 LEU H 1 49 PRO HA 1.800 . 5.000 3.477 2.603 4.031 . 0 0 "[ . 1 . 2]" 1
401 1 37 LEU H 1 47 ILE HA 1.800 . 6.000 5.219 4.535 6.005 0.005 10 0 "[ . 1 . 2]" 1
402 1 37 LEU H 1 48 PHE H 1.800 . 5.000 3.604 3.119 4.295 . 0 0 "[ . 1 . 2]" 1
403 1 37 LEU QD 1 48 PHE H 1.800 . 5.000 3.866 3.114 4.656 . 0 0 "[ . 1 . 2]" 1
404 1 37 LEU H 1 50 ALA H 1.800 . 5.000 3.501 2.462 4.850 . 0 0 "[ . 1 . 2]" 1
405 1 37 LEU H 1 50 ALA MB 1.800 . 5.000 3.742 2.584 5.002 0.002 16 0 "[ . 1 . 2]" 1
406 1 37 LEU HA 1 37 LEU QD 1.800 . 4.500 2.874 2.379 3.432 . 0 0 "[ . 1 . 2]" 1
407 1 37 LEU HG 1 47 ILE MD 1.800 . 6.000 6.031 6.010 6.048 0.048 7 0 "[ . 1 . 2]" 1
408 1 37 LEU MD1 1 50 ALA HA 1.800 . 5.000 4.309 3.579 4.828 . 0 0 "[ . 1 . 2]" 1
409 1 37 LEU MD2 1 50 ALA HA 1.800 . 4.000 2.845 1.867 3.962 . 0 0 "[ . 1 . 2]" 1
410 1 37 LEU HG 1 50 ALA HA 1.800 . 6.000 5.119 4.077 5.977 . 0 0 "[ . 1 . 2]" 1
411 1 38 GLU HA 1 39 GLY H 1.800 . 3.000 2.179 2.133 2.265 . 0 0 "[ . 1 . 2]" 1
412 1 38 GLU QG 1 39 GLY H 1.800 . 4.000 2.646 2.052 3.951 . 0 0 "[ . 1 . 2]" 1
413 1 38 GLU H 1 38 GLU QB 1.800 . 3.500 2.394 2.275 2.497 . 0 0 "[ . 1 . 2]" 1
414 1 38 GLU QG 1 45 LEU HG 1.800 . 6.000 4.743 3.577 5.726 . 0 0 "[ . 1 . 2]" 1
415 1 38 GLU QG 1 45 LEU QD 1.800 . 5.000 3.258 2.062 4.233 . 0 0 "[ . 1 . 2]" 1
416 1 38 GLU HA 1 47 ILE HA 1.800 . 5.000 2.968 2.481 3.287 . 0 0 "[ . 1 . 2]" 1
417 1 38 GLU HA 1 47 ILE MD 1.800 . 6.000 3.074 2.608 3.757 . 0 0 "[ . 1 . 2]" 1
418 1 38 GLU HA 1 47 ILE QG 1.800 . 4.000 2.040 1.895 2.397 . 0 0 "[ . 1 . 2]" 1
419 1 39 GLY H 1 40 GLU QB 1.800 . 6.000 5.019 4.370 5.466 . 0 0 "[ . 1 . 2]" 1
420 1 39 GLY HA3 1 40 GLU H 1.800 . 3.500 2.883 2.535 3.368 . 0 0 "[ . 1 . 2]" 1
421 1 39 GLY HA2 1 40 GLU H 1.800 . 3.500 2.336 2.141 2.586 . 0 0 "[ . 1 . 2]" 1
422 1 39 GLY H 1 40 GLU H 1.800 . 5.000 4.336 3.952 4.495 . 0 0 "[ . 1 . 2]" 1
423 1 39 GLY H 1 45 LEU HA 1.800 . 6.000 5.260 4.855 5.705 . 0 0 "[ . 1 . 2]" 1
424 1 39 GLY H 1 45 LEU HG 1.800 . 6.000 5.353 4.535 6.014 0.014 8 0 "[ . 1 . 2]" 1
425 1 39 GLY H 1 46 GLY H 1.800 . 5.000 3.668 3.443 3.955 . 0 0 "[ . 1 . 2]" 1
426 1 39 GLY H 1 47 ILE HA 1.800 . 4.000 2.778 1.975 3.402 . 0 0 "[ . 1 . 2]" 1
427 1 39 GLY H 1 47 ILE QG 1.800 . 4.000 2.471 2.020 3.142 . 0 0 "[ . 1 . 2]" 1
428 1 39 GLY H 1 47 ILE MG 1.800 . 5.000 3.977 3.504 4.621 . 0 0 "[ . 1 . 2]" 1
429 1 39 GLY H 1 47 ILE H 1.800 . 6.000 4.662 4.141 5.184 . 0 0 "[ . 1 . 2]" 1
430 1 39 GLY H 1 48 PHE QE 1.800 . 6.000 4.787 3.654 5.763 . 0 0 "[ . 1 . 2]" 1
431 1 40 GLU HA 1 41 HIS H 1.800 . 3.000 2.311 2.239 2.426 . 0 0 "[ . 1 . 2]" 1
432 1 40 GLU QB 1 41 HIS H 1.800 . 4.500 2.799 2.364 3.432 . 0 0 "[ . 1 . 2]" 1
433 1 40 GLU QG 1 41 HIS H 1.800 . 5.000 3.652 2.320 4.505 . 0 0 "[ . 1 . 2]" 1
434 1 40 GLU H 1 40 GLU QG 1.800 . 4.000 3.059 1.992 4.058 0.058 2 0 "[ . 1 . 2]" 1
435 1 40 GLU QG 1 43 GLY H 1.800 . 5.000 4.765 3.819 5.022 0.022 5 0 "[ . 1 . 2]" 1
436 1 40 GLU HA 1 44 ARG H 1.800 . 6.000 5.026 4.749 5.205 . 0 0 "[ . 1 . 2]" 1
437 1 40 GLU HA 1 46 GLY H 1.800 . 4.500 2.540 2.080 3.028 . 0 0 "[ . 1 . 2]" 1
438 1 40 GLU HB3 1 46 GLY H 1.800 . 5.500 4.192 2.816 5.514 0.014 11 0 "[ . 1 . 2]" 1
439 1 40 GLU HB2 1 46 GLY H 1.800 . 5.500 4.585 4.249 4.931 . 0 0 "[ . 1 . 2]" 1
440 1 40 GLU HA 1 45 LEU HA 1.800 . 4.000 2.551 1.998 3.038 . 0 0 "[ . 1 . 2]" 1
441 1 40 GLU HA 1 45 LEU MD1 1.800 . 6.000 4.799 3.356 5.745 . 0 0 "[ . 1 . 2]" 1
442 1 40 GLU HA 1 45 LEU MD2 1.800 . 6.000 5.488 4.076 6.013 0.013 10 0 "[ . 1 . 2]" 1
443 1 40 GLU HB3 1 45 LEU HA 1.800 . 6.000 3.176 1.950 4.811 . 0 0 "[ . 1 . 2]" 1
444 1 40 GLU HB3 1 45 LEU QD 1.800 . 6.000 4.120 2.603 5.681 . 0 0 "[ . 1 . 2]" 1
445 1 40 GLU HB2 1 45 LEU QD 1.800 . 6.000 4.460 3.773 5.280 . 0 0 "[ . 1 . 2]" 1
446 1 40 GLU QB 1 45 LEU QD 1.800 . 5.000 3.662 2.571 4.837 . 0 0 "[ . 1 . 2]" 1
447 1 40 GLU QG 1 45 LEU MD2 1.800 . 6.000 4.836 3.673 6.011 0.011 16 0 "[ . 1 . 2]" 1
448 1 40 GLU QB 1 47 ILE QG 1.800 . 6.000 5.828 5.437 6.042 0.042 18 0 "[ . 1 . 2]" 1
449 1 40 GLU QG 1 47 ILE QG 1.800 . 6.000 5.656 4.537 6.034 0.034 5 0 "[ . 1 . 2]" 1
450 1 41 HIS H 1 44 ARG H 1.800 . 4.000 3.060 2.885 3.244 . 0 0 "[ . 1 . 2]" 1
451 1 41 HIS H 1 45 LEU HA 1.800 . 6.000 3.800 3.288 4.188 . 0 0 "[ . 1 . 2]" 1
452 1 43 GLY HA3 1 44 ARG H 1.800 . 5.000 3.193 3.179 3.288 . 0 0 "[ . 1 . 2]" 1
453 1 43 GLY HA2 1 44 ARG H 1.800 . 5.000 3.382 3.301 3.391 . 0 0 "[ . 1 . 2]" 1
454 1 43 GLY H 1 44 ARG H 1.800 . 4.000 2.708 2.636 2.775 . 0 0 "[ . 1 . 2]" 1
455 1 44 ARG HA 1 45 LEU H 1.800 . 3.000 2.260 2.154 2.339 . 0 0 "[ . 1 . 2]" 1
456 1 44 ARG H 1 44 ARG QD 1.800 . 5.000 4.470 4.319 4.652 . 0 0 "[ . 1 . 2]" 1
457 1 44 ARG H 1 44 ARG QG 1.800 . 4.000 3.841 3.600 4.040 0.040 6 0 "[ . 1 . 2]" 1
458 1 44 ARG QD 1 45 LEU HG 1.800 . 5.000 4.958 4.502 5.056 0.056 4 0 "[ . 1 . 2]" 1
459 1 45 LEU H 1 45 LEU HB3 1.800 . 4.000 2.764 2.383 3.541 . 0 0 "[ . 1 . 2]" 1
460 1 45 LEU H 1 45 LEU HB2 1.800 . 4.000 2.851 2.213 3.689 . 0 0 "[ . 1 . 2]" 1
461 1 45 LEU H 1 45 LEU HG 1.800 . 5.000 4.042 3.401 4.497 . 0 0 "[ . 1 . 2]" 1
462 1 45 LEU HA 1 46 GLY H 1.800 . 3.000 2.150 2.126 2.184 . 0 0 "[ . 1 . 2]" 1
463 1 45 LEU HB2 1 46 GLY H 1.800 . 5.000 4.045 3.219 4.419 . 0 0 "[ . 1 . 2]" 1
464 1 45 LEU QD 1 46 GLY H 1.800 . 5.000 3.381 2.263 4.163 . 0 0 "[ . 1 . 2]" 1
465 1 45 LEU HG 1 46 GLY H 1.800 . 4.000 3.306 2.396 4.022 0.022 4 0 "[ . 1 . 2]" 1
466 1 46 GLY QA 1 47 ILE H 1.800 . 3.500 2.140 2.107 2.280 . 0 0 "[ . 1 . 2]" 1
467 1 46 GLY HA3 1 47 ILE MD 1.800 . 6.000 5.938 5.353 6.050 0.050 7 0 "[ . 1 . 2]" 1
468 1 46 GLY HA2 1 47 ILE MD 1.800 . 6.000 5.024 4.301 5.290 . 0 0 "[ . 1 . 2]" 1
469 1 47 ILE H 1 47 ILE MD 1.800 . 4.000 4.015 3.822 4.048 0.048 20 0 "[ . 1 . 2]" 1
470 1 47 ILE H 1 47 ILE HG13 1.800 . 5.000 2.808 2.616 3.572 . 0 0 "[ . 1 . 2]" 1
471 1 47 ILE H 1 47 ILE HG12 1.800 . 5.000 3.866 3.574 4.684 . 0 0 "[ . 1 . 2]" 1
472 1 47 ILE HA 1 48 PHE H 1.800 . 3.000 2.244 2.227 2.287 . 0 0 "[ . 1 . 2]" 1
473 1 47 ILE HB 1 48 PHE H 1.800 . 4.000 3.910 3.842 4.021 0.021 16 0 "[ . 1 . 2]" 1
474 1 47 ILE QG 1 48 PHE H 1.800 . 4.000 3.936 3.525 4.030 0.030 1 0 "[ . 1 . 2]" 1
475 1 47 ILE MG 1 48 PHE H 1.800 . 6.000 1.880 1.834 1.946 . 0 0 "[ . 1 . 2]" 1
476 1 48 PHE H 1 48 PHE QD 1.800 . 5.000 3.005 2.248 3.364 . 0 0 "[ . 1 . 2]" 1
477 1 48 PHE HA 1 49 PRO HD3 1.800 . 6.000 2.222 1.929 2.591 . 0 0 "[ . 1 . 2]" 1
478 1 48 PHE HA 1 49 PRO HD2 1.800 . 6.000 2.722 2.151 3.064 . 0 0 "[ . 1 . 2]" 1
479 1 48 PHE QB 1 49 PRO HD3 1.800 . 6.000 3.101 2.791 3.699 . 0 0 "[ . 1 . 2]" 1
480 1 48 PHE QB 1 49 PRO HD2 1.800 . 6.000 2.114 1.895 2.465 . 0 0 "[ . 1 . 2]" 1
481 1 48 PHE QB 1 53 VAL MG1 1.800 . 6.000 4.875 3.961 5.850 . 0 0 "[ . 1 . 2]" 1
482 1 49 PRO HA 1 50 ALA H 1.800 . 3.000 2.167 2.130 2.260 . 0 0 "[ . 1 . 2]" 1
483 1 49 PRO QB 1 50 ALA H 1.800 . 5.000 3.203 2.917 3.251 . 0 0 "[ . 1 . 2]" 1
484 1 49 PRO HA 1 51 ASN H 1.800 . 5.000 3.750 3.623 3.978 . 0 0 "[ . 1 . 2]" 1
485 1 49 PRO QB 1 51 ASN H 1.800 . 5.000 2.755 2.439 3.267 . 0 0 "[ . 1 . 2]" 1
486 1 49 PRO QG 1 51 ASN QB 1.800 . 5.000 4.571 3.891 5.014 0.014 2 0 "[ . 1 . 2]" 1
487 1 50 ALA H 1 50 ALA MB 1.800 . 3.500 2.121 2.052 2.236 . 0 0 "[ . 1 . 2]" 1
488 1 50 ALA H 1 51 ASN H 1.800 . 4.000 2.619 2.569 2.752 . 0 0 "[ . 1 . 2]" 1
489 1 50 ALA MB 1 51 ASN H 1.800 . 3.500 2.959 2.651 3.174 . 0 0 "[ . 1 . 2]" 1
490 1 50 ALA H 1 52 TYR H 1.800 . 5.000 4.259 4.034 4.677 . 0 0 "[ . 1 . 2]" 1
491 1 50 ALA HA 1 52 TYR H 1.800 . 5.000 3.599 3.364 4.033 . 0 0 "[ . 1 . 2]" 1
492 1 51 ASN H 1 51 ASN HB3 1.800 . 3.500 3.161 2.581 3.505 0.005 4 0 "[ . 1 . 2]" 1
493 1 51 ASN H 1 51 ASN HB2 1.800 . 4.000 2.278 2.080 3.597 . 0 0 "[ . 1 . 2]" 1
494 1 51 ASN HA 1 52 TYR H 1.800 . 5.000 3.353 3.126 3.486 . 0 0 "[ . 1 . 2]" 1
495 1 51 ASN H 1 52 TYR H 1.800 . 4.000 2.637 2.484 2.845 . 0 0 "[ . 1 . 2]" 1
496 1 51 ASN HA 1 53 VAL H 1.800 . 5.000 3.796 3.465 4.407 . 0 0 "[ . 1 . 2]" 1
497 1 52 TYR HA 1 53 VAL H 1.800 . 5.000 3.002 2.641 3.497 . 0 0 "[ . 1 . 2]" 1
498 1 52 TYR H 1 53 VAL H 1.800 . 3.000 2.621 2.124 3.011 0.011 9 0 "[ . 1 . 2]" 1
499 1 52 TYR QB 1 53 VAL H 1.800 . 5.000 3.671 2.918 4.037 . 0 0 "[ . 1 . 2]" 1
500 1 53 VAL H 1 53 VAL QG 1.800 . 4.000 2.352 2.171 2.518 . 0 0 "[ . 1 . 2]" 1
501 1 53 VAL HA 1 54 GLU H 1.800 . 3.000 2.359 2.290 2.430 . 0 0 "[ . 1 . 2]" 1
502 1 53 VAL HB 1 54 GLU H 1.800 . 5.000 3.617 2.777 3.940 . 0 0 "[ . 1 . 2]" 1
503 1 53 VAL H 1 54 GLU H 1.800 . 5.000 4.395 4.341 4.505 . 0 0 "[ . 1 . 2]" 1
504 1 53 VAL QG 1 55 VAL H 1.800 . 6.000 4.155 3.724 4.970 . 0 0 "[ . 1 . 2]" 1
505 1 53 VAL MG1 1 55 VAL HA 1.800 . 5.000 4.755 4.315 5.021 0.021 3 0 "[ . 1 . 2]" 1
506 1 53 VAL MG2 1 55 VAL HA 1.800 . 6.000 4.464 3.821 6.038 0.038 7 0 "[ . 1 . 2]" 1
507 1 53 VAL HA 1 53 VAL QG 1.800 . 4.500 2.160 1.902 2.256 . 0 0 "[ . 1 . 2]" 1
508 1 54 GLU HA 1 55 VAL H 1.800 . 4.000 2.158 2.140 2.293 . 0 0 "[ . 1 . 2]" 1
509 1 54 GLU QB 1 55 VAL H 1.800 . 4.500 3.403 2.855 3.778 . 0 0 "[ . 1 . 2]" 1
510 1 54 GLU H 1 56 LEU H 1.800 . 6.000 5.976 5.791 6.017 0.017 2 0 "[ . 1 . 2]" 1
511 1 55 VAL H 1 55 VAL HB 1.800 . 3.000 2.633 2.599 2.696 . 0 0 "[ . 1 . 2]" 1
512 1 55 VAL H 1 55 VAL QG 1.800 . 4.000 2.049 1.935 2.335 . 0 0 "[ . 1 . 2]" 1
513 1 55 VAL HA 1 56 LEU H 1.800 . 4.000 2.144 2.138 2.151 . 0 0 "[ . 1 . 2]" 1
514 1 55 VAL HB 1 56 LEU H 1.800 . 6.000 4.282 4.163 4.362 . 0 0 "[ . 1 . 2]" 1
515 1 55 VAL H 1 56 LEU H 1.800 . 6.000 4.440 4.350 4.500 . 0 0 "[ . 1 . 2]" 1
516 1 56 LEU H 1 56 LEU QD 1.800 . 4.500 3.202 2.321 3.417 . 0 0 "[ . 1 . 2]" 1
517 1 56 LEU HA 1 57 PRO HD3 1.800 . 4.500 2.487 2.072 2.651 . 0 0 "[ . 1 . 2]" 1
518 1 56 LEU HA 1 57 PRO HD2 1.800 . 4.500 2.411 2.328 2.534 . 0 0 "[ . 1 . 2]" 1
519 1 56 LEU HA 1 57 PRO QG 1.800 . 5.000 4.084 3.880 4.187 . 0 0 "[ . 1 . 2]" 1
520 1 56 LEU QD 1 57 PRO QD 1.800 . 5.000 4.270 4.132 4.317 . 0 0 "[ . 1 . 2]" 1
521 1 56 LEU HA 1 56 LEU MD1 1.800 . 4.500 3.908 3.792 4.090 . 0 0 "[ . 1 . 2]" 1
522 1 57 PRO HA 1 58 LEU H 1.800 . 3.000 2.216 2.152 2.631 . 0 0 "[ . 1 . 2]" 1
523 1 57 PRO HB3 1 58 LEU H 1.800 . 5.000 3.554 3.066 4.574 . 0 0 "[ . 1 . 2]" 1
524 1 57 PRO HB2 1 58 LEU H 1.800 . 5.000 3.897 3.519 4.321 . 0 0 "[ . 1 . 2]" 1
525 1 57 PRO QB 1 58 LEU H 1.800 . 4.000 3.289 2.886 3.951 . 0 0 "[ . 1 . 2]" 1
526 1 58 LEU QB 1 59 GLU H 1.800 . 4.500 3.029 1.958 3.995 . 0 0 "[ . 1 . 2]" 1
527 1 58 LEU HA 1 58 LEU QD 1.800 . 4.500 3.027 2.620 3.192 . 0 0 "[ . 1 . 2]" 1
528 1 58 LEU HA 1 58 LEU HG 1.800 . 4.500 2.681 2.246 4.267 . 0 0 "[ . 1 . 2]" 1
529 1 58 LEU QB 1 58 LEU MD2 1.800 . 4.500 2.055 1.927 2.336 . 0 0 "[ . 1 . 2]" 1
530 1 59 GLU H 1 59 GLU HA 1.800 . 3.000 2.827 2.274 2.948 . 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 26
_Distance_constraint_stats_list.Viol_count 65
_Distance_constraint_stats_list.Viol_total 13.472
_Distance_constraint_stats_list.Viol_max 0.036
_Distance_constraint_stats_list.Viol_rms 0.0045
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0013
_Distance_constraint_stats_list.Viol_average_violations_only 0.0104
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 4 ALA 0.078 0.020 17 0 "[ . 1 . 2]"
1 6 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 PHE 0.040 0.011 2 0 "[ . 1 . 2]"
1 18 LEU 0.131 0.026 17 0 "[ . 1 . 2]"
1 20 LEU 0.040 0.011 2 0 "[ . 1 . 2]"
1 24 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 VAL 0.078 0.020 17 0 "[ . 1 . 2]"
1 29 HIS 0.069 0.015 1 0 "[ . 1 . 2]"
1 37 LEU 0.331 0.036 16 0 "[ . 1 . 2]"
1 38 GLU 0.069 0.015 1 0 "[ . 1 . 2]"
1 39 GLY 0.024 0.010 1 0 "[ . 1 . 2]"
1 41 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 GLY 0.024 0.010 1 0 "[ . 1 . 2]"
1 47 ILE 0.131 0.026 17 0 "[ . 1 . 2]"
1 48 PHE 0.331 0.036 16 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 4 ALA H 1 26 VAL O 2.000 . 2.700 2.531 2.100 2.720 0.020 17 0 "[ . 1 . 2]" 2
2 1 4 ALA N 1 26 VAL O 3.000 2.400 3.700 3.459 3.026 3.689 . 0 0 "[ . 1 . 2]" 2
3 1 4 ALA O 1 26 VAL H 2.000 . 2.700 2.525 2.087 2.710 0.010 9 0 "[ . 1 . 2]" 2
4 1 4 ALA O 1 26 VAL N 3.000 2.400 3.700 3.447 3.011 3.670 . 0 0 "[ . 1 . 2]" 2
5 1 6 LEU H 1 24 ASP O 2.000 . 2.700 2.045 1.682 2.428 . 0 0 "[ . 1 . 2]" 2
6 1 6 LEU N 1 24 ASP O 3.000 2.400 3.700 2.989 2.585 3.361 . 0 0 "[ . 1 . 2]" 2
7 1 10 PHE H 1 20 LEU O 2.000 . 2.700 2.342 1.981 2.711 0.011 2 0 "[ . 1 . 2]" 2
8 1 10 PHE N 1 20 LEU O 3.000 2.400 3.700 3.188 2.921 3.557 . 0 0 "[ . 1 . 2]" 2
9 1 10 PHE O 1 20 LEU H 2.000 . 2.700 2.610 2.283 2.711 0.011 8 0 "[ . 1 . 2]" 2
10 1 10 PHE O 1 20 LEU N 3.000 2.400 3.700 3.416 3.114 3.550 . 0 0 "[ . 1 . 2]" 2
11 1 18 LEU H 1 47 ILE O 2.000 . 2.700 2.621 2.290 2.726 0.026 17 0 "[ . 1 . 2]" 2
12 1 18 LEU N 1 47 ILE O 3.000 2.400 3.700 3.535 3.091 3.684 . 0 0 "[ . 1 . 2]" 2
13 1 29 HIS H 1 38 GLU O 2.000 . 2.700 2.388 1.663 2.715 0.015 1 0 "[ . 1 . 2]" 2
14 1 29 HIS N 1 38 GLU O 3.000 2.400 3.700 3.268 2.607 3.625 . 0 0 "[ . 1 . 2]" 2
15 1 37 LEU H 1 48 PHE O 2.000 . 2.700 2.474 1.724 2.722 0.022 12 0 "[ . 1 . 2]" 2
16 1 37 LEU N 1 48 PHE O 3.000 2.400 3.700 3.191 2.566 3.511 . 0 0 "[ . 1 . 2]" 2
17 1 37 LEU O 1 48 PHE H 2.000 . 2.700 2.578 2.076 2.736 0.036 16 0 "[ . 1 . 2]" 2
18 1 37 LEU O 1 48 PHE N 3.000 2.400 3.700 3.473 3.004 3.638 . 0 0 "[ . 1 . 2]" 2
19 1 39 GLY H 1 46 GLY O 2.000 . 2.700 2.358 1.678 2.710 0.010 1 0 "[ . 1 . 2]" 2
20 1 39 GLY N 1 46 GLY O 3.000 2.400 3.700 3.003 2.579 3.453 . 0 0 "[ . 1 . 2]" 2
21 1 39 GLY O 1 46 GLY H 1.800 . 2.400 1.863 1.646 2.369 . 0 0 "[ . 1 . 2]" 2
22 1 39 GLY O 1 46 GLY N 2.700 2.400 3.300 2.715 2.551 2.945 . 0 0 "[ . 1 . 2]" 2
23 1 41 HIS H 1 44 ARG O 1.800 . 2.400 1.849 1.613 2.137 . 0 0 "[ . 1 . 2]" 2
24 1 41 HIS N 1 44 ARG O 2.700 2.400 3.300 2.755 2.556 3.039 . 0 0 "[ . 1 . 2]" 2
25 1 41 HIS O 1 44 ARG H 1.800 . 2.400 1.848 1.678 1.953 . 0 0 "[ . 1 . 2]" 2
26 1 41 HIS O 1 44 ARG N 2.700 2.400 3.300 2.752 2.586 2.862 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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