NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
404331 |
1x22   |
5749 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1x22
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 355
_Distance_constraint_stats_list.Viol_count 699
_Distance_constraint_stats_list.Viol_total 845.842
_Distance_constraint_stats_list.Viol_max 0.663
_Distance_constraint_stats_list.Viol_rms 0.0355
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0060
_Distance_constraint_stats_list.Viol_average_violations_only 0.0605
_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 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 LYS 0.124 0.055 17 0 "[ . 1 . 2]"
1 3 ILE 0.552 0.112 8 0 "[ . 1 . 2]"
1 4 PRO 2.221 0.145 16 0 "[ . 1 . 2]"
1 5 VAL 2.452 0.186 10 0 "[ . 1 . 2]"
1 6 LYS 1.436 0.094 10 0 "[ . 1 . 2]"
1 7 ALA 3.450 0.186 10 0 "[ . 1 . 2]"
1 8 ILE 1.967 0.084 3 0 "[ . 1 . 2]"
1 9 LYS 1.456 0.078 2 0 "[ . 1 . 2]"
1 10 LYS 1.839 0.064 14 0 "[ . 1 . 2]"
1 11 ALA 2.889 0.149 2 0 "[ . 1 . 2]"
1 12 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 ALA 2.511 0.149 2 0 "[ . 1 . 2]"
1 14 ALA 0.980 0.058 14 0 "[ . 1 . 2]"
1 15 ILE 1.312 0.068 2 0 "[ . 1 . 2]"
1 16 GLY 0.698 0.068 2 0 "[ . 1 . 2]"
1 17 LYS 0.872 0.053 4 0 "[ . 1 . 2]"
1 18 GLY 0.495 0.053 4 0 "[ . 1 . 2]"
1 19 LEU 0.462 0.049 8 0 "[ . 1 . 2]"
1 20 ARG 0.534 0.049 8 0 "[ . 1 . 2]"
1 21 ALA 0.034 0.016 1 0 "[ . 1 . 2]"
1 22 ILE 0.860 0.093 11 0 "[ . 1 . 2]"
1 23 ASN 0.199 0.038 12 0 "[ . 1 . 2]"
1 24 ILE 1.555 0.094 19 0 "[ . 1 . 2]"
1 25 ALA 2.650 0.126 6 0 "[ . 1 . 2]"
1 26 SER 0.082 0.019 3 0 "[ . 1 . 2]"
1 27 THR 2.577 0.126 6 0 "[ . 1 . 2]"
1 28 ALA 1.034 0.062 14 0 "[ . 1 . 2]"
1 29 HIS 0.990 0.062 14 0 "[ . 1 . 2]"
1 30 ASP 0.383 0.051 7 0 "[ . 1 . 2]"
1 31 VAL 2.622 0.099 15 0 "[ . 1 . 2]"
1 32 TYR 1.506 0.068 9 0 "[ . 1 . 2]"
1 33 SER 1.453 0.128 6 0 "[ . 1 . 2]"
1 34 PHE 2.648 0.099 15 0 "[ . 1 . 2]"
1 35 PHE 13.818 0.663 7 19 "[***** +******-******]"
1 36 LYS 3.464 0.167 16 0 "[ . 1 . 2]"
1 37 PRO 1.269 0.131 8 0 "[ . 1 . 2]"
1 38 LYS 0.910 0.067 2 0 "[ . 1 . 2]"
1 39 HIS 4.881 0.167 16 0 "[ . 1 . 2]"
1 40 LYS 0.313 0.058 20 0 "[ . 1 . 2]"
1 41 LYS 0.348 0.057 11 0 "[ . 1 . 2]"
1 42 LYS 0.331 0.057 11 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 GLY QA 1 2 LYS QE 2.000 . 6.000 4.200 3.458 4.658 . 0 0 "[ . 1 . 2]" 1
2 1 1 GLY QA 1 2 LYS H 2.000 . 3.500 2.220 2.110 2.552 . 0 0 "[ . 1 . 2]" 1
3 1 2 LYS HA 1 3 ILE H 2.000 . 3.500 2.622 2.146 3.555 0.055 17 0 "[ . 1 . 2]" 1
4 1 2 LYS H 1 2 LYS QB 2.000 . 4.100 2.718 2.087 3.358 . 0 0 "[ . 1 . 2]" 1
5 1 2 LYS H 1 2 LYS QD 2.000 . 6.000 3.898 2.042 5.071 . 0 0 "[ . 1 . 2]" 1
6 1 2 LYS H 1 2 LYS QE 2.000 . 6.000 4.262 3.240 5.000 . 0 0 "[ . 1 . 2]" 1
7 1 2 LYS H 1 2 LYS QG 2.000 . 6.000 3.195 1.887 4.225 . 0 0 "[ . 1 . 2]" 1
8 1 3 ILE HA 1 4 PRO QD 2.000 . 4.500 2.391 1.876 3.491 . 0 0 "[ . 1 . 2]" 1
9 1 3 ILE H 1 3 ILE HB 2.000 . 3.500 3.128 2.509 3.612 0.112 8 0 "[ . 1 . 2]" 1
10 1 3 ILE H 1 3 ILE MD 2.000 . 6.100 3.361 1.924 4.523 . 0 0 "[ . 1 . 2]" 1
11 1 3 ILE H 1 3 ILE QG 2.000 . 6.100 2.768 1.822 4.380 . 0 0 "[ . 1 . 2]" 1
12 1 3 ILE H 1 3 ILE MG 2.000 . 4.600 3.378 2.065 3.918 . 0 0 "[ . 1 . 2]" 1
13 1 4 PRO HA 1 4 PRO QD 2.000 . 4.100 3.381 3.089 3.523 . 0 0 "[ . 1 . 2]" 1
14 1 4 PRO HA 1 5 VAL QG 2.000 . 5.900 4.065 3.619 4.496 . 0 0 "[ . 1 . 2]" 1
15 1 4 PRO HA 1 5 VAL H 2.000 . 3.500 2.451 2.153 2.999 . 0 0 "[ . 1 . 2]" 1
16 1 4 PRO HA 1 6 LYS H 2.000 . 3.500 3.503 3.282 3.594 0.094 10 0 "[ . 1 . 2]" 1
17 1 4 PRO HA 1 7 ALA MB 2.000 . 5.000 3.572 3.177 4.028 . 0 0 "[ . 1 . 2]" 1
18 1 4 PRO HA 1 7 ALA H 2.000 . 5.000 3.695 3.469 4.041 . 0 0 "[ . 1 . 2]" 1
19 1 4 PRO QB 1 7 ALA MB 2.000 . 7.000 1.948 1.655 3.198 0.145 16 0 "[ . 1 . 2]" 1
20 1 4 PRO HA 1 8 ILE H 2.000 . 5.000 5.036 4.924 5.084 0.084 3 0 "[ . 1 . 2]" 1
21 1 3 ILE MG 1 4 PRO QD 2.000 . 7.500 3.144 1.743 4.045 0.057 14 0 "[ . 1 . 2]" 1
22 1 5 VAL HA 1 6 LYS H 2.000 . 5.000 3.503 3.424 3.533 . 0 0 "[ . 1 . 2]" 1
23 1 5 VAL HA 1 7 ALA H 2.000 . 3.500 3.606 3.561 3.686 0.186 10 0 "[ . 1 . 2]" 1
24 1 5 VAL HA 1 8 ILE HB 2.000 . 5.000 3.180 2.011 4.564 . 0 0 "[ . 1 . 2]" 1
25 1 5 VAL HA 1 8 ILE MD 2.000 . 5.000 3.760 2.750 4.061 . 0 0 "[ . 1 . 2]" 1
26 1 5 VAL HA 1 8 ILE H 2.000 . 3.500 3.104 2.771 3.420 . 0 0 "[ . 1 . 2]" 1
27 1 5 VAL HA 1 9 LYS QB 2.000 . 6.000 4.775 4.252 5.177 . 0 0 "[ . 1 . 2]" 1
28 1 5 VAL HA 1 9 LYS H 2.000 . 5.000 4.056 3.757 4.472 . 0 0 "[ . 1 . 2]" 1
29 1 5 VAL H 1 5 VAL HB 2.000 . 3.500 2.545 2.114 3.001 . 0 0 "[ . 1 . 2]" 1
30 1 5 VAL HB 1 6 LYS H 2.000 . 3.500 3.014 2.599 3.577 0.077 8 0 "[ . 1 . 2]" 1
31 1 5 VAL H 1 5 VAL MG1 2.000 . 6.000 3.444 2.519 3.788 . 0 0 "[ . 1 . 2]" 1
32 1 5 VAL MG1 1 6 LYS H 2.000 . 6.000 3.242 1.839 4.195 . 0 0 "[ . 1 . 2]" 1
33 1 5 VAL H 1 5 VAL MG2 2.000 . 6.000 2.582 1.817 3.692 . 0 0 "[ . 1 . 2]" 1
34 1 5 VAL MG2 1 6 LYS H 2.000 . 6.000 3.815 3.384 4.239 . 0 0 "[ . 1 . 2]" 1
35 1 5 VAL QG 1 9 LYS QD 2.000 . 8.400 3.898 1.993 5.358 . 0 0 "[ . 1 . 2]" 1
36 1 5 VAL H 1 6 LYS H 2.000 . 3.500 2.517 2.393 2.738 . 0 0 "[ . 1 . 2]" 1
37 1 5 VAL MG1 1 6 LYS HA 2.000 . 6.000 3.568 2.809 4.565 . 0 0 "[ . 1 . 2]" 1
38 1 6 LYS HA 1 7 ALA H 2.000 . 3.500 3.380 3.325 3.427 . 0 0 "[ . 1 . 2]" 1
39 1 6 LYS HA 1 8 ILE H 2.000 . 5.000 4.529 4.330 4.857 . 0 0 "[ . 1 . 2]" 1
40 1 6 LYS HA 1 8 ILE MG 2.000 . 6.500 4.602 4.143 5.292 . 0 0 "[ . 1 . 2]" 1
41 1 6 LYS HA 1 9 LYS QB 2.000 . 6.000 2.603 2.289 2.865 . 0 0 "[ . 1 . 2]" 1
42 1 6 LYS HA 1 9 LYS H 2.000 . 3.500 3.514 3.427 3.578 0.078 2 0 "[ . 1 . 2]" 1
43 1 6 LYS H 1 6 LYS QB 2.000 . 3.300 2.382 2.091 2.980 . 0 0 "[ . 1 . 2]" 1
44 1 6 LYS QB 1 7 ALA H 2.000 . 6.000 3.147 2.986 3.609 . 0 0 "[ . 1 . 2]" 1
45 1 5 VAL MG1 1 6 LYS QD 2.000 . 7.500 4.403 2.294 5.392 . 0 0 "[ . 1 . 2]" 1
46 1 6 LYS H 1 6 LYS QD 2.000 . 6.000 3.305 1.835 4.388 . 0 0 "[ . 1 . 2]" 1
47 1 6 LYS H 1 6 LYS QE 2.000 . 6.000 4.322 2.065 5.398 . 0 0 "[ . 1 . 2]" 1
48 1 6 LYS H 1 6 LYS QG 2.000 . 6.000 2.746 1.818 3.983 . 0 0 "[ . 1 . 2]" 1
49 1 7 ALA HA 1 8 ILE H 2.000 . 3.500 3.524 3.506 3.548 0.048 14 0 "[ . 1 . 2]" 1
50 1 7 ALA HA 1 10 LYS QB 2.000 . 6.000 2.786 2.333 3.647 . 0 0 "[ . 1 . 2]" 1
51 1 7 ALA HA 1 10 LYS H 2.000 . 3.500 3.425 2.986 3.531 0.031 2 0 "[ . 1 . 2]" 1
52 1 7 ALA H 1 7 ALA MB 2.000 . 3.800 2.236 2.102 2.316 . 0 0 "[ . 1 . 2]" 1
53 1 7 ALA MB 1 9 LYS H 2.000 . 6.500 4.305 4.038 4.524 . 0 0 "[ . 1 . 2]" 1
54 1 5 VAL H 1 7 ALA H 2.000 . 5.000 3.762 3.646 3.920 . 0 0 "[ . 1 . 2]" 1
55 1 6 LYS H 1 7 ALA H 2.000 . 3.500 2.502 2.248 2.607 . 0 0 "[ . 1 . 2]" 1
56 1 7 ALA H 1 8 ILE H 2.000 . 3.500 2.290 2.179 2.470 . 0 0 "[ . 1 . 2]" 1
57 1 8 ILE HA 1 9 LYS H 2.000 . 3.500 3.483 3.429 3.527 0.027 8 0 "[ . 1 . 2]" 1
58 1 8 ILE HA 1 10 LYS H 2.000 . 5.000 4.653 4.349 4.946 . 0 0 "[ . 1 . 2]" 1
59 1 8 ILE HA 1 11 ALA MB 2.000 . 4.200 2.670 2.314 3.069 . 0 0 "[ . 1 . 2]" 1
60 1 8 ILE HA 1 11 ALA H 2.000 . 3.500 3.526 3.434 3.567 0.067 2 0 "[ . 1 . 2]" 1
61 1 8 ILE HA 1 12 GLY H 2.000 . 5.000 4.277 3.658 4.642 . 0 0 "[ . 1 . 2]" 1
62 1 8 ILE H 1 8 ILE HB 2.000 . 3.500 2.402 2.107 2.874 . 0 0 "[ . 1 . 2]" 1
63 1 8 ILE H 1 8 ILE MD 2.000 . 6.500 3.948 2.459 4.371 . 0 0 "[ . 1 . 2]" 1
64 1 8 ILE H 1 8 ILE QG 2.000 . 6.500 3.773 2.966 4.065 . 0 0 "[ . 1 . 2]" 1
65 1 8 ILE QG 1 9 LYS H 2.000 . 6.500 4.149 3.506 4.661 . 0 0 "[ . 1 . 2]" 1
66 1 8 ILE H 1 8 ILE MG 2.000 . 5.000 2.623 1.814 3.519 . 0 0 "[ . 1 . 2]" 1
67 1 8 ILE H 1 9 LYS H 2.000 . 3.500 2.542 2.446 2.649 . 0 0 "[ . 1 . 2]" 1
68 1 8 ILE MG 1 9 LYS HA 2.000 . 5.000 3.209 2.875 3.846 . 0 0 "[ . 1 . 2]" 1
69 1 9 LYS HA 1 10 LYS H 2.000 . 3.500 3.545 3.514 3.564 0.064 14 0 "[ . 1 . 2]" 1
70 1 9 LYS HA 1 11 ALA H 2.000 . 5.000 4.121 3.826 4.329 . 0 0 "[ . 1 . 2]" 1
71 1 9 LYS HA 1 12 GLY H 2.000 . 3.500 3.303 3.127 3.494 . 0 0 "[ . 1 . 2]" 1
72 1 9 LYS HA 1 13 ALA H 2.000 . 5.000 4.666 4.468 4.808 . 0 0 "[ . 1 . 2]" 1
73 1 9 LYS H 1 9 LYS QB 2.000 . 3.300 2.155 2.066 2.291 . 0 0 "[ . 1 . 2]" 1
74 1 9 LYS H 1 9 LYS QD 2.000 . 6.000 4.215 3.378 4.836 . 0 0 "[ . 1 . 2]" 1
75 1 9 LYS H 1 9 LYS QE 2.000 . 6.000 4.821 3.901 5.368 . 0 0 "[ . 1 . 2]" 1
76 1 9 LYS H 1 9 LYS QG 2.000 . 6.000 3.691 2.642 4.003 . 0 0 "[ . 1 . 2]" 1
77 1 9 LYS H 1 10 LYS H 2.000 . 3.500 2.589 2.410 2.701 . 0 0 "[ . 1 . 2]" 1
78 1 10 LYS HA 1 11 ALA H 2.000 . 3.500 3.506 3.455 3.542 0.042 9 0 "[ . 1 . 2]" 1
79 1 10 LYS HA 1 13 ALA MB 2.000 . 6.500 2.479 2.235 2.737 . 0 0 "[ . 1 . 2]" 1
80 1 10 LYS HA 1 13 ALA H 2.000 . 3.500 3.513 3.364 3.561 0.061 19 0 "[ . 1 . 2]" 1
81 1 10 LYS H 1 10 LYS QB 2.000 . 4.500 2.192 2.043 2.578 . 0 0 "[ . 1 . 2]" 1
82 1 10 LYS H 1 10 LYS QD 2.000 . 6.000 4.128 2.935 4.833 . 0 0 "[ . 1 . 2]" 1
83 1 10 LYS H 1 10 LYS QE 2.000 . 6.000 4.722 3.783 5.309 . 0 0 "[ . 1 . 2]" 1
84 1 10 LYS H 1 10 LYS QG 2.000 . 6.000 3.377 2.180 4.046 . 0 0 "[ . 1 . 2]" 1
85 1 10 LYS H 1 11 ALA H 2.000 . 3.500 2.709 2.614 2.830 . 0 0 "[ . 1 . 2]" 1
86 1 11 ALA HA 1 12 GLY H 2.000 . 5.000 3.545 3.508 3.568 . 0 0 "[ . 1 . 2]" 1
87 1 11 ALA HA 1 13 ALA H 2.000 . 3.500 3.598 3.562 3.649 0.149 2 0 "[ . 1 . 2]" 1
88 1 11 ALA HA 1 13 ALA MB 2.000 . 6.500 4.418 4.315 4.542 . 0 0 "[ . 1 . 2]" 1
89 1 11 ALA HA 1 14 ALA H 2.000 . 3.500 3.353 3.098 3.523 0.023 2 0 "[ . 1 . 2]" 1
90 1 11 ALA H 1 11 ALA MB 2.000 . 3.800 2.142 2.053 2.270 . 0 0 "[ . 1 . 2]" 1
91 1 11 ALA MB 1 12 GLY H 2.000 . 4.200 2.519 2.331 2.761 . 0 0 "[ . 1 . 2]" 1
92 1 11 ALA H 1 12 GLY H 2.000 . 3.500 2.619 2.483 2.771 . 0 0 "[ . 1 . 2]" 1
93 1 11 ALA MB 1 12 GLY QA 2.000 . 7.500 3.489 3.411 3.540 . 0 0 "[ . 1 . 2]" 1
94 1 12 GLY QA 1 13 ALA H 2.000 . 4.500 2.879 2.837 2.916 . 0 0 "[ . 1 . 2]" 1
95 1 12 GLY QA 1 14 ALA H 2.000 . 6.000 4.407 3.966 4.894 . 0 0 "[ . 1 . 2]" 1
96 1 12 GLY QA 1 15 ILE HB 2.000 . 6.000 2.827 2.422 3.517 . 0 0 "[ . 1 . 2]" 1
97 1 12 GLY QA 1 15 ILE H 2.000 . 6.000 3.630 3.447 3.902 . 0 0 "[ . 1 . 2]" 1
98 1 12 GLY QA 1 16 GLY H 2.000 . 6.000 3.709 3.195 4.154 . 0 0 "[ . 1 . 2]" 1
99 1 12 GLY QA 1 13 ALA MB 2.000 . 7.000 4.167 4.125 4.199 . 0 0 "[ . 1 . 2]" 1
100 1 13 ALA HA 1 14 ALA H 2.000 . 5.000 3.558 3.505 3.576 . 0 0 "[ . 1 . 2]" 1
101 1 13 ALA HA 1 15 ILE H 2.000 . 5.000 4.495 3.946 5.002 0.002 5 0 "[ . 1 . 2]" 1
102 1 13 ALA HA 1 16 GLY H 2.000 . 5.000 3.553 3.274 3.743 . 0 0 "[ . 1 . 2]" 1
103 1 13 ALA HA 1 17 LYS H 2.000 . 5.000 4.368 3.713 4.752 . 0 0 "[ . 1 . 2]" 1
104 1 13 ALA H 1 13 ALA MB 2.000 . 3.800 2.167 2.082 2.278 . 0 0 "[ . 1 . 2]" 1
105 1 13 ALA MB 1 14 ALA H 2.000 . 5.000 2.396 1.897 2.760 . 0 0 "[ . 1 . 2]" 1
106 1 12 GLY H 1 13 ALA H 2.000 . 3.500 2.629 2.571 2.698 . 0 0 "[ . 1 . 2]" 1
107 1 13 ALA H 1 14 ALA H 2.000 . 3.500 2.523 2.322 2.799 . 0 0 "[ . 1 . 2]" 1
108 1 14 ALA HA 1 15 ILE H 2.000 . 3.500 3.523 3.435 3.558 0.058 14 0 "[ . 1 . 2]" 1
109 1 14 ALA HA 1 16 GLY H 2.000 . 5.000 4.431 4.077 4.831 . 0 0 "[ . 1 . 2]" 1
110 1 14 ALA HA 1 17 LYS QB 2.000 . 6.000 3.065 2.563 4.267 . 0 0 "[ . 1 . 2]" 1
111 1 14 ALA HA 1 17 LYS H 2.000 . 3.500 3.511 3.435 3.552 0.052 20 0 "[ . 1 . 2]" 1
112 1 14 ALA HA 1 18 GLY H 2.000 . 5.000 4.433 3.948 4.812 . 0 0 "[ . 1 . 2]" 1
113 1 14 ALA H 1 14 ALA MB 2.000 . 3.800 2.174 2.035 2.257 . 0 0 "[ . 1 . 2]" 1
114 1 14 ALA H 1 16 GLY H 2.000 . 5.000 4.110 3.689 4.798 . 0 0 "[ . 1 . 2]" 1
115 1 14 ALA MB 1 15 ILE HA 2.000 . 6.500 3.803 3.636 3.925 . 0 0 "[ . 1 . 2]" 1
116 1 15 ILE HA 1 16 GLY H 2.000 . 3.500 3.528 3.476 3.568 0.068 2 0 "[ . 1 . 2]" 1
117 1 15 ILE HA 1 17 LYS QD 2.000 . 6.000 5.035 4.370 5.418 . 0 0 "[ . 1 . 2]" 1
118 1 15 ILE HA 1 17 LYS H 2.000 . 5.000 4.246 3.989 4.584 . 0 0 "[ . 1 . 2]" 1
119 1 15 ILE HA 1 18 GLY H 2.000 . 3.500 3.345 3.101 3.530 0.030 9 0 "[ . 1 . 2]" 1
120 1 15 ILE HA 1 19 LEU H 2.000 . 5.000 4.302 3.519 4.678 . 0 0 "[ . 1 . 2]" 1
121 1 15 ILE H 1 15 ILE HB 2.000 . 3.500 2.485 2.281 2.691 . 0 0 "[ . 1 . 2]" 1
122 1 15 ILE HB 1 16 GLY H 2.000 . 3.500 2.716 2.302 3.555 0.055 18 0 "[ . 1 . 2]" 1
123 1 15 ILE H 1 15 ILE MD 2.000 . 6.500 3.252 1.931 4.243 . 0 0 "[ . 1 . 2]" 1
124 1 15 ILE H 1 15 ILE QG 2.000 . 6.000 2.477 1.874 3.922 . 0 0 "[ . 1 . 2]" 1
125 1 15 ILE H 1 15 ILE MG 2.000 . 6.500 3.629 2.464 3.792 . 0 0 "[ . 1 . 2]" 1
126 1 14 ALA H 1 15 ILE H 2.000 . 3.500 2.665 2.405 2.880 . 0 0 "[ . 1 . 2]" 1
127 1 16 GLY QA 1 17 LYS H 2.000 . 4.500 2.731 2.658 2.807 . 0 0 "[ . 1 . 2]" 1
128 1 16 GLY QA 1 19 LEU QB 2.000 . 7.000 3.139 2.459 3.771 . 0 0 "[ . 1 . 2]" 1
129 1 16 GLY QA 1 19 LEU QD 2.000 . 8.400 3.139 2.059 4.285 . 0 0 "[ . 1 . 2]" 1
130 1 16 GLY QA 1 19 LEU H 2.000 . 4.500 3.582 3.207 3.858 . 0 0 "[ . 1 . 2]" 1
131 1 15 ILE H 1 16 GLY H 2.000 . 3.500 2.629 2.356 2.846 . 0 0 "[ . 1 . 2]" 1
132 1 17 LYS HA 1 18 GLY H 2.000 . 3.500 3.512 3.397 3.553 0.053 4 0 "[ . 1 . 2]" 1
133 1 17 LYS HA 1 20 ARG QB 2.000 . 6.000 2.523 2.069 2.829 . 0 0 "[ . 1 . 2]" 1
134 1 17 LYS HA 1 20 ARG H 2.000 . 3.500 3.450 3.248 3.521 0.021 17 0 "[ . 1 . 2]" 1
135 1 17 LYS H 1 17 LYS QB 2.000 . 4.500 2.318 2.089 2.685 . 0 0 "[ . 1 . 2]" 1
136 1 17 LYS QB 1 18 GLY H 2.000 . 4.500 2.867 2.335 3.682 . 0 0 "[ . 1 . 2]" 1
137 1 17 LYS H 1 17 LYS QD 2.000 . 6.000 3.293 1.862 4.059 . 0 0 "[ . 1 . 2]" 1
138 1 17 LYS H 1 17 LYS QE 2.000 . 6.000 4.686 3.849 5.401 . 0 0 "[ . 1 . 2]" 1
139 1 17 LYS H 1 17 LYS QG 2.000 . 6.000 3.127 1.878 4.066 . 0 0 "[ . 1 . 2]" 1
140 1 16 GLY H 1 17 LYS H 2.000 . 3.500 2.708 2.427 2.887 . 0 0 "[ . 1 . 2]" 1
141 1 17 LYS QD 1 18 GLY QA 2.000 . 7.000 3.649 2.166 5.466 . 0 0 "[ . 1 . 2]" 1
142 1 18 GLY QA 1 19 LEU H 2.000 . 6.000 2.637 2.500 2.750 . 0 0 "[ . 1 . 2]" 1
143 1 18 GLY QA 1 21 ALA MB 2.000 . 7.000 2.772 2.159 3.158 . 0 0 "[ . 1 . 2]" 1
144 1 18 GLY QA 1 21 ALA H 2.000 . 4.500 3.428 3.130 3.737 . 0 0 "[ . 1 . 2]" 1
145 1 17 LYS H 1 18 GLY H 2.000 . 3.500 2.561 2.390 2.752 . 0 0 "[ . 1 . 2]" 1
146 1 18 GLY H 1 19 LEU H 2.000 . 3.500 2.782 2.511 3.036 . 0 0 "[ . 1 . 2]" 1
147 1 19 LEU HA 1 20 ARG QB 2.000 . 6.000 5.189 5.120 5.255 . 0 0 "[ . 1 . 2]" 1
148 1 19 LEU HA 1 20 ARG H 2.000 . 3.500 3.510 3.437 3.549 0.049 8 0 "[ . 1 . 2]" 1
149 1 19 LEU HA 1 21 ALA H 2.000 . 5.000 4.282 3.776 4.716 . 0 0 "[ . 1 . 2]" 1
150 1 19 LEU HA 1 22 ILE HB 2.000 . 5.000 3.127 2.475 4.906 . 0 0 "[ . 1 . 2]" 1
151 1 19 LEU HA 1 22 ILE MD 2.000 . 6.500 3.747 1.914 5.162 . 0 0 "[ . 1 . 2]" 1
152 1 19 LEU HA 1 22 ILE QG 2.000 . 6.000 3.266 2.073 4.821 . 0 0 "[ . 1 . 2]" 1
153 1 19 LEU HA 1 22 ILE MG 2.000 . 6.500 4.171 2.826 5.138 . 0 0 "[ . 1 . 2]" 1
154 1 19 LEU HA 1 22 ILE H 2.000 . 3.500 3.448 3.287 3.542 0.042 6 0 "[ . 1 . 2]" 1
155 1 19 LEU HA 1 23 ASN H 2.000 . 5.000 4.324 3.874 4.704 . 0 0 "[ . 1 . 2]" 1
156 1 19 LEU H 1 19 LEU QB 2.000 . 4.100 2.334 2.037 2.818 . 0 0 "[ . 1 . 2]" 1
157 1 19 LEU H 1 19 LEU QD 2.000 . 6.000 2.981 1.839 3.600 . 0 0 "[ . 1 . 2]" 1
158 1 19 LEU QD 1 20 ARG H 2.000 . 7.400 4.006 3.430 4.300 . 0 0 "[ . 1 . 2]" 1
159 1 15 ILE MG 1 19 LEU HG 2.000 . 5.000 3.416 2.605 4.115 . 0 0 "[ . 1 . 2]" 1
160 1 19 LEU H 1 19 LEU HG 2.000 . 3.500 2.736 1.865 3.510 0.010 5 0 "[ . 1 . 2]" 1
161 1 20 ARG HA 1 21 ALA H 2.000 . 5.000 3.517 3.416 3.565 . 0 0 "[ . 1 . 2]" 1
162 1 20 ARG HA 1 23 ASN HB2 2.000 . 5.000 2.605 2.236 3.296 . 0 0 "[ . 1 . 2]" 1
163 1 20 ARG HA 1 23 ASN HB3 2.000 . 5.000 3.481 2.617 4.299 . 0 0 "[ . 1 . 2]" 1
164 1 20 ARG HA 1 23 ASN H 2.000 . 3.500 3.397 3.068 3.535 0.035 11 0 "[ . 1 . 2]" 1
165 1 20 ARG H 1 20 ARG QB 2.000 . 4.100 2.140 2.031 2.256 . 0 0 "[ . 1 . 2]" 1
166 1 20 ARG H 1 20 ARG QG 2.000 . 6.000 3.750 3.113 3.995 . 0 0 "[ . 1 . 2]" 1
167 1 20 ARG QG 1 21 ALA H 2.000 . 6.000 4.146 3.256 4.569 . 0 0 "[ . 1 . 2]" 1
168 1 20 ARG QG 1 24 ILE H 2.000 . 6.000 4.368 3.486 5.288 . 0 0 "[ . 1 . 2]" 1
169 1 19 LEU H 1 20 ARG H 2.000 . 3.500 2.637 2.430 2.779 . 0 0 "[ . 1 . 2]" 1
170 1 21 ALA HA 1 22 ILE MD 2.000 . 6.500 4.757 4.130 5.323 . 0 0 "[ . 1 . 2]" 1
171 1 21 ALA HA 1 22 ILE H 2.000 . 5.000 3.542 3.512 3.572 . 0 0 "[ . 1 . 2]" 1
172 1 21 ALA HA 1 24 ILE HB 2.000 . 5.000 4.714 4.100 5.016 0.016 1 0 "[ . 1 . 2]" 1
173 1 21 ALA HA 1 24 ILE H 2.000 . 5.000 3.792 3.406 4.227 . 0 0 "[ . 1 . 2]" 1
174 1 21 ALA H 1 21 ALA MB 2.000 . 4.600 2.140 2.030 2.243 . 0 0 "[ . 1 . 2]" 1
175 1 21 ALA MB 1 22 ILE H 2.000 . 5.000 2.549 2.302 2.754 . 0 0 "[ . 1 . 2]" 1
176 1 19 LEU H 1 21 ALA H 2.000 . 5.000 4.156 3.774 4.599 . 0 0 "[ . 1 . 2]" 1
177 1 20 ARG H 1 21 ALA H 2.000 . 3.500 2.656 2.475 2.812 . 0 0 "[ . 1 . 2]" 1
178 1 22 ILE HA 1 23 ASN H 2.000 . 3.500 3.486 3.429 3.538 0.038 12 0 "[ . 1 . 2]" 1
179 1 22 ILE HA 1 25 ALA MB 2.000 . 5.000 2.422 2.128 2.823 . 0 0 "[ . 1 . 2]" 1
180 1 22 ILE HA 1 25 ALA H 2.000 . 3.500 3.529 3.503 3.570 0.070 1 0 "[ . 1 . 2]" 1
181 1 22 ILE HA 1 26 SER H 2.000 . 5.000 3.945 3.350 4.430 . 0 0 "[ . 1 . 2]" 1
182 1 22 ILE H 1 22 ILE HB 2.000 . 3.500 2.575 2.195 3.593 0.093 11 0 "[ . 1 . 2]" 1
183 1 22 ILE H 1 22 ILE MD 2.000 . 6.500 2.558 1.840 3.538 . 0 0 "[ . 1 . 2]" 1
184 1 22 ILE MD 1 23 ASN H 2.000 . 6.500 4.129 2.086 4.699 . 0 0 "[ . 1 . 2]" 1
185 1 22 ILE H 1 22 ILE QG 2.000 . 6.000 2.565 1.854 4.045 . 0 0 "[ . 1 . 2]" 1
186 1 22 ILE H 1 22 ILE MG 2.000 . 6.500 3.620 2.188 3.769 . 0 0 "[ . 1 . 2]" 1
187 1 22 ILE MG 1 23 ASN H 2.000 . 5.000 3.568 2.480 4.102 . 0 0 "[ . 1 . 2]" 1
188 1 21 ALA H 1 22 ILE H 2.000 . 3.500 2.679 2.514 2.813 . 0 0 "[ . 1 . 2]" 1
189 1 22 ILE H 1 23 ASN H 2.000 . 3.500 2.565 2.379 2.694 . 0 0 "[ . 1 . 2]" 1
190 1 23 ASN HA 1 24 ILE MG 2.000 . 6.500 4.947 4.644 5.253 . 0 0 "[ . 1 . 2]" 1
191 1 23 ASN HA 1 24 ILE H 2.000 . 5.000 3.566 3.542 3.572 . 0 0 "[ . 1 . 2]" 1
192 1 23 ASN HA 1 25 ALA H 2.000 . 5.000 4.158 3.905 4.413 . 0 0 "[ . 1 . 2]" 1
193 1 23 ASN HA 1 26 SER H 2.000 . 5.000 3.391 3.176 3.717 . 0 0 "[ . 1 . 2]" 1
194 1 23 ASN HA 1 27 THR H 2.000 . 5.000 4.657 4.256 4.850 . 0 0 "[ . 1 . 2]" 1
195 1 23 ASN H 1 23 ASN QB 2.000 . 4.500 2.131 2.049 2.267 . 0 0 "[ . 1 . 2]" 1
196 1 23 ASN QB 1 24 ILE H 2.000 . 6.000 2.264 2.033 2.696 . 0 0 "[ . 1 . 2]" 1
197 1 23 ASN H 1 24 ILE H 2.000 . 3.500 2.799 2.500 3.055 . 0 0 "[ . 1 . 2]" 1
198 1 24 ILE HA 1 25 ALA H 2.000 . 3.500 3.498 3.446 3.545 0.045 3 0 "[ . 1 . 2]" 1
199 1 24 ILE HA 1 26 SER H 2.000 . 5.000 4.488 4.255 4.736 . 0 0 "[ . 1 . 2]" 1
200 1 24 ILE HA 1 27 THR MG 2.000 . 5.000 3.662 2.933 4.098 . 0 0 "[ . 1 . 2]" 1
201 1 24 ILE HA 1 27 THR H 2.000 . 3.500 3.524 3.449 3.554 0.054 6 0 "[ . 1 . 2]" 1
202 1 24 ILE HA 1 28 ALA H 2.000 . 5.000 4.338 3.905 4.754 . 0 0 "[ . 1 . 2]" 1
203 1 24 ILE H 1 24 ILE HB 2.000 . 3.500 3.115 2.462 3.594 0.094 19 0 "[ . 1 . 2]" 1
204 1 24 ILE H 1 24 ILE MD 2.000 . 6.500 3.982 3.545 4.406 . 0 0 "[ . 1 . 2]" 1
205 1 24 ILE H 1 24 ILE QG 2.000 . 6.000 3.070 1.828 4.082 . 0 0 "[ . 1 . 2]" 1
206 1 24 ILE H 1 24 ILE MG 2.000 . 6.500 2.100 1.811 2.585 . 0 0 "[ . 1 . 2]" 1
207 1 25 ALA HA 1 26 SER H 2.000 . 5.000 3.526 3.488 3.559 . 0 0 "[ . 1 . 2]" 1
208 1 25 ALA HA 1 27 THR H 2.000 . 3.500 3.594 3.560 3.626 0.126 6 0 "[ . 1 . 2]" 1
209 1 25 ALA HA 1 28 ALA H 2.000 . 5.000 3.288 2.872 3.805 . 0 0 "[ . 1 . 2]" 1
210 1 25 ALA HA 1 28 ALA MB 2.000 . 6.500 2.781 2.104 3.350 . 0 0 "[ . 1 . 2]" 1
211 1 25 ALA HA 1 29 HIS H 2.000 . 5.000 4.548 3.522 5.036 0.036 18 0 "[ . 1 . 2]" 1
212 1 24 ILE QG 1 25 ALA MB 2.000 . 6.000 3.644 2.854 4.484 . 0 0 "[ . 1 . 2]" 1
213 1 25 ALA H 1 25 ALA MB 2.000 . 3.800 2.198 2.061 2.269 . 0 0 "[ . 1 . 2]" 1
214 1 25 ALA MB 1 26 SER H 2.000 . 6.500 2.567 2.376 2.803 . 0 0 "[ . 1 . 2]" 1
215 1 24 ILE H 1 25 ALA H 2.000 . 3.500 2.714 2.593 2.951 . 0 0 "[ . 1 . 2]" 1
216 1 25 ALA H 1 26 SER H 2.000 . 3.500 2.524 2.369 2.766 . 0 0 "[ . 1 . 2]" 1
217 1 26 SER HA 1 27 THR H 2.000 . 3.500 3.367 3.305 3.417 . 0 0 "[ . 1 . 2]" 1
218 1 26 SER HA 1 28 ALA H 2.000 . 5.000 4.652 4.116 5.010 0.010 9 0 "[ . 1 . 2]" 1
219 1 26 SER HA 1 29 HIS QB 2.000 . 6.000 3.986 2.722 5.053 . 0 0 "[ . 1 . 2]" 1
220 1 26 SER HA 1 29 HIS HE1 2.000 . 5.000 4.464 3.141 5.019 0.019 14 0 "[ . 1 . 2]" 1
221 1 26 SER HA 1 29 HIS H 2.000 . 5.000 4.175 3.710 4.687 . 0 0 "[ . 1 . 2]" 1
222 1 26 SER HA 1 30 ASP H 2.000 . 5.000 4.697 4.072 5.019 0.019 3 0 "[ . 1 . 2]" 1
223 1 26 SER H 1 26 SER QB 2.000 . 4.500 2.256 2.071 2.820 . 0 0 "[ . 1 . 2]" 1
224 1 27 THR HA 1 28 ALA H 2.000 . 5.000 3.538 3.444 3.571 . 0 0 "[ . 1 . 2]" 1
225 1 27 THR HA 1 29 HIS H 2.000 . 5.000 4.606 3.995 5.011 0.011 2 0 "[ . 1 . 2]" 1
226 1 27 THR HA 1 30 ASP QB 2.000 . 6.000 2.471 2.189 2.907 . 0 0 "[ . 1 . 2]" 1
227 1 27 THR HA 1 30 ASP H 2.000 . 3.500 3.391 3.116 3.536 0.036 6 0 "[ . 1 . 2]" 1
228 1 27 THR HA 1 31 VAL H 2.000 . 5.000 4.253 3.710 4.666 . 0 0 "[ . 1 . 2]" 1
229 1 27 THR HA 1 31 VAL QG 2.000 . 7.400 3.812 3.263 4.254 . 0 0 "[ . 1 . 2]" 1
230 1 24 ILE HA 1 27 THR HB 2.000 . 5.000 3.354 2.352 4.194 . 0 0 "[ . 1 . 2]" 1
231 1 27 THR H 1 27 THR HB 2.000 . 3.500 2.992 2.364 3.529 0.029 18 0 "[ . 1 . 2]" 1
232 1 27 THR HB 1 28 ALA H 2.000 . 3.500 2.724 2.151 3.324 . 0 0 "[ . 1 . 2]" 1
233 1 27 THR HB 1 31 VAL QG 2.000 . 5.900 3.482 2.808 3.767 . 0 0 "[ . 1 . 2]" 1
234 1 27 THR H 1 27 THR MG 2.000 . 5.000 3.577 3.002 3.804 . 0 0 "[ . 1 . 2]" 1
235 1 27 THR MG 1 28 ALA H 2.000 . 6.500 3.900 3.306 4.207 . 0 0 "[ . 1 . 2]" 1
236 1 27 THR MG 1 30 ASP H 2.000 . 6.500 4.700 4.238 5.104 . 0 0 "[ . 1 . 2]" 1
237 1 26 SER H 1 27 THR H 2.000 . 3.500 2.556 2.459 2.628 . 0 0 "[ . 1 . 2]" 1
238 1 27 THR H 1 28 ALA H 2.000 . 3.500 2.360 2.172 2.527 . 0 0 "[ . 1 . 2]" 1
239 1 27 THR MG 1 28 ALA HA 2.000 . 6.500 4.545 3.514 5.383 . 0 0 "[ . 1 . 2]" 1
240 1 28 ALA HA 1 29 HIS H 2.000 . 3.500 3.543 3.476 3.562 0.062 14 0 "[ . 1 . 2]" 1
241 1 28 ALA HA 1 31 VAL HB 2.000 . 3.500 3.044 2.326 3.505 0.005 17 0 "[ . 1 . 2]" 1
242 1 28 ALA HA 1 31 VAL QG 2.000 . 5.900 2.457 1.858 3.303 . 0 0 "[ . 1 . 2]" 1
243 1 28 ALA HA 1 31 VAL H 2.000 . 3.500 3.462 3.274 3.562 0.062 1 0 "[ . 1 . 2]" 1
244 1 28 ALA HA 1 32 TYR H 2.000 . 5.000 3.999 3.291 4.478 . 0 0 "[ . 1 . 2]" 1
245 1 28 ALA H 1 28 ALA MB 2.000 . 3.800 2.114 2.027 2.233 . 0 0 "[ . 1 . 2]" 1
246 1 28 ALA MB 1 32 TYR QD 2.000 . 8.900 4.368 2.751 5.243 . 0 0 "[ . 1 . 2]" 1
247 1 28 ALA MB 1 32 TYR QE 2.000 . 8.900 4.937 2.902 6.649 . 0 0 "[ . 1 . 2]" 1
248 1 29 HIS HA 1 30 ASP H 2.000 . 5.000 3.530 3.499 3.567 . 0 0 "[ . 1 . 2]" 1
249 1 29 HIS HA 1 32 TYR QB 2.000 . 6.000 3.040 2.440 3.986 . 0 0 "[ . 1 . 2]" 1
250 1 29 HIS HA 1 32 TYR QD 2.000 . 7.400 3.515 1.853 5.150 . 0 0 "[ . 1 . 2]" 1
251 1 29 HIS HA 1 32 TYR H 2.000 . 5.000 3.783 3.248 4.518 . 0 0 "[ . 1 . 2]" 1
252 1 29 HIS HA 1 33 SER H 2.000 . 5.000 4.236 3.977 4.470 . 0 0 "[ . 1 . 2]" 1
253 1 29 HIS H 1 29 HIS QB 2.000 . 4.500 2.217 2.047 2.458 . 0 0 "[ . 1 . 2]" 1
254 1 29 HIS QB 1 30 ASP H 2.000 . 4.500 3.276 2.730 3.485 . 0 0 "[ . 1 . 2]" 1
255 1 28 ALA H 1 29 HIS H 2.000 . 3.500 3.007 2.668 3.395 . 0 0 "[ . 1 . 2]" 1
256 1 29 HIS H 1 30 ASP H 2.000 . 3.500 2.747 2.477 2.960 . 0 0 "[ . 1 . 2]" 1
257 1 29 HIS HE1 1 30 ASP HA 2.000 . 5.000 4.268 3.474 5.003 0.003 12 0 "[ . 1 . 2]" 1
258 1 30 ASP HA 1 31 VAL H 2.000 . 3.500 3.501 3.424 3.551 0.051 7 0 "[ . 1 . 2]" 1
259 1 30 ASP HA 1 33 SER QB 2.000 . 6.000 2.502 2.160 2.932 . 0 0 "[ . 1 . 2]" 1
260 1 30 ASP HA 1 33 SER H 2.000 . 5.000 3.759 3.504 4.102 . 0 0 "[ . 1 . 2]" 1
261 1 30 ASP HA 1 34 PHE H 2.000 . 5.000 4.306 3.680 4.621 . 0 0 "[ . 1 . 2]" 1
262 1 30 ASP H 1 30 ASP QB 2.000 . 4.500 2.128 2.044 2.254 . 0 0 "[ . 1 . 2]" 1
263 1 30 ASP QB 1 31 VAL QG 2.000 . 6.900 3.080 2.776 3.429 . 0 0 "[ . 1 . 2]" 1
264 1 30 ASP H 1 31 VAL H 2.000 . 3.500 2.631 2.526 2.791 . 0 0 "[ . 1 . 2]" 1
265 1 31 VAL HA 1 32 TYR H 2.000 . 3.500 3.553 3.518 3.568 0.068 9 0 "[ . 1 . 2]" 1
266 1 31 VAL HA 1 34 PHE QB 2.000 . 6.000 3.643 3.197 4.748 . 0 0 "[ . 1 . 2]" 1
267 1 31 VAL HA 1 34 PHE H 2.000 . 3.500 3.557 3.519 3.599 0.099 15 0 "[ . 1 . 2]" 1
268 1 31 VAL HA 1 35 PHE H 2.000 . 5.000 4.337 3.800 4.737 . 0 0 "[ . 1 . 2]" 1
269 1 31 VAL H 1 31 VAL HB 2.000 . 3.500 2.625 2.409 2.884 . 0 0 "[ . 1 . 2]" 1
270 1 31 VAL HB 1 32 TYR H 2.000 . 3.500 2.163 1.849 2.724 . 0 0 "[ . 1 . 2]" 1
271 1 31 VAL H 1 31 VAL QG 2.000 . 5.900 2.157 1.866 2.459 . 0 0 "[ . 1 . 2]" 1
272 1 31 VAL QG 1 32 TYR QD 2.000 . 9.900 3.962 2.595 5.178 . 0 0 "[ . 1 . 2]" 1
273 1 31 VAL QG 1 32 TYR H 2.000 . 5.900 2.946 2.457 3.255 . 0 0 "[ . 1 . 2]" 1
274 1 31 VAL QG 1 35 PHE QB 2.000 . 8.400 3.578 1.847 4.269 . 0 0 "[ . 1 . 2]" 1
275 1 31 VAL QG 1 35 PHE QD 2.000 . 9.900 2.480 1.937 3.062 . 0 0 "[ . 1 . 2]" 1
276 1 31 VAL QG 1 35 PHE QE 2.000 . 9.900 2.373 1.836 3.119 . 0 0 "[ . 1 . 2]" 1
277 1 27 THR MG 1 31 VAL QG 2.000 . 7.400 2.944 1.893 3.965 . 0 0 "[ . 1 . 2]" 1
278 1 31 VAL QG 1 32 TYR HA 2.000 . 7.400 3.491 2.880 3.890 . 0 0 "[ . 1 . 2]" 1
279 1 32 TYR HA 1 33 SER H 2.000 . 5.000 3.428 3.382 3.490 . 0 0 "[ . 1 . 2]" 1
280 1 32 TYR HA 1 34 PHE H 2.000 . 5.000 5.009 4.956 5.050 0.050 4 0 "[ . 1 . 2]" 1
281 1 32 TYR HA 1 35 PHE QD 2.000 . 7.400 2.915 1.876 3.930 . 0 0 "[ . 1 . 2]" 1
282 1 32 TYR HA 1 35 PHE H 2.000 . 5.000 3.562 3.382 3.705 . 0 0 "[ . 1 . 2]" 1
283 1 32 TYR HA 1 36 LYS H 2.000 . 5.000 4.537 3.849 5.055 0.055 9 0 "[ . 1 . 2]" 1
284 1 32 TYR H 1 32 TYR QB 2.000 . 4.500 2.234 2.043 2.608 . 0 0 "[ . 1 . 2]" 1
285 1 32 TYR QB 1 33 SER H 2.000 . 4.500 3.068 2.714 3.606 . 0 0 "[ . 1 . 2]" 1
286 1 32 TYR H 1 32 TYR QD 2.000 . 6.000 3.030 1.985 4.148 . 0 0 "[ . 1 . 2]" 1
287 1 32 TYR QD 1 33 SER H 2.000 . 7.400 4.088 2.373 4.813 . 0 0 "[ . 1 . 2]" 1
288 1 31 VAL H 1 32 TYR H 2.000 . 3.500 2.779 2.368 3.171 . 0 0 "[ . 1 . 2]" 1
289 1 32 TYR QD 1 33 SER HA 2.000 . 7.400 4.998 3.261 5.939 . 0 0 "[ . 1 . 2]" 1
290 1 33 SER HA 1 34 PHE H 2.000 . 3.500 3.557 3.546 3.564 0.064 15 0 "[ . 1 . 2]" 1
291 1 33 SER HA 1 36 LYS H 2.000 . 5.000 4.880 4.375 5.128 0.128 6 0 "[ . 1 . 2]" 1
292 1 33 SER H 1 33 SER QB 2.000 . 4.600 2.100 2.002 2.295 . 0 0 "[ . 1 . 2]" 1
293 1 33 SER QB 1 34 PHE QD 2.000 . 8.400 3.554 2.043 5.007 . 0 0 "[ . 1 . 2]" 1
294 1 33 SER HB2 1 34 PHE H 2.000 . 4.500 3.109 2.784 3.594 . 0 0 "[ . 1 . 2]" 1
295 1 33 SER QB 1 35 PHE HB2 2.000 . 6.000 5.069 4.970 5.163 . 0 0 "[ . 1 . 2]" 1
296 1 33 SER QB 1 35 PHE QD 2.000 . 7.400 5.988 5.667 6.196 . 0 0 "[ . 1 . 2]" 1
297 1 33 SER QB 1 35 PHE H 2.000 . 6.000 3.994 3.881 4.113 . 0 0 "[ . 1 . 2]" 1
298 1 33 SER QB 1 36 LYS QD 2.000 . 7.000 5.224 4.563 5.590 . 0 0 "[ . 1 . 2]" 1
299 1 33 SER HB3 1 34 PHE H 2.000 . 3.500 2.131 1.930 2.450 . 0 0 "[ . 1 . 2]" 1
300 1 31 VAL H 1 33 SER H 2.000 . 5.000 3.651 3.488 3.855 . 0 0 "[ . 1 . 2]" 1
301 1 32 TYR H 1 33 SER H 2.000 . 3.500 2.709 2.504 2.980 . 0 0 "[ . 1 . 2]" 1
302 1 34 PHE HA 1 35 PHE H 2.000 . 5.000 3.212 2.952 3.397 . 0 0 "[ . 1 . 2]" 1
303 1 33 SER H 1 34 PHE QB 2.000 . 6.000 4.690 4.297 5.176 . 0 0 "[ . 1 . 2]" 1
304 1 34 PHE H 1 34 PHE QB 2.000 . 4.500 2.274 2.077 2.635 . 0 0 "[ . 1 . 2]" 1
305 1 34 PHE H 1 34 PHE QD 2.000 . 7.400 3.268 2.138 4.226 . 0 0 "[ . 1 . 2]" 1
306 1 34 PHE QD 1 35 PHE H 2.000 . 7.400 4.587 4.265 4.912 . 0 0 "[ . 1 . 2]" 1
307 1 33 SER H 1 34 PHE H 2.000 . 3.500 2.811 2.491 3.040 . 0 0 "[ . 1 . 2]" 1
308 1 34 PHE QD 1 35 PHE HA 2.000 . 7.400 5.420 4.001 6.031 . 0 0 "[ . 1 . 2]" 1
309 1 35 PHE HA 1 35 PHE QD 2.000 . 7.400 1.951 1.640 2.643 0.160 20 0 "[ . 1 . 2]" 1
310 1 35 PHE HA 1 36 LYS H 2.000 . 3.500 3.497 2.990 3.562 0.062 5 0 "[ . 1 . 2]" 1
311 1 33 SER H 1 35 PHE HB2 2.000 . 5.000 3.885 3.727 4.001 . 0 0 "[ . 1 . 2]" 1
312 1 35 PHE H 1 35 PHE QB 3.000 2.700 5.500 2.111 2.037 2.386 0.663 7 19 "[***** +******-******]" 1
313 1 35 PHE HB2 1 36 LYS H 2.000 . 5.000 2.923 2.615 4.291 . 0 0 "[ . 1 . 2]" 1
314 1 35 PHE H 1 35 PHE QD 2.000 . 7.400 3.439 2.878 4.030 . 0 0 "[ . 1 . 2]" 1
315 1 34 PHE H 1 35 PHE H 2.000 . 3.500 2.595 2.437 2.812 . 0 0 "[ . 1 . 2]" 1
316 1 36 LYS HA 1 37 PRO QD 2.000 . 6.000 3.490 3.425 3.527 . 0 0 "[ . 1 . 2]" 1
317 1 36 LYS HA 1 39 HIS HB2 2.000 . 3.500 3.569 3.390 3.667 0.167 16 0 "[ . 1 . 2]" 1
318 1 36 LYS H 1 36 LYS QB 2.000 . 4.500 2.624 2.159 3.016 . 0 0 "[ . 1 . 2]" 1
319 1 36 LYS H 1 36 LYS QD 2.000 . 6.000 2.771 1.927 3.883 . 0 0 "[ . 1 . 2]" 1
320 1 36 LYS H 1 36 LYS QE 2.000 . 6.000 4.451 3.182 5.276 . 0 0 "[ . 1 . 2]" 1
321 1 36 LYS H 1 36 LYS QG 2.000 . 6.000 2.919 1.885 3.613 . 0 0 "[ . 1 . 2]" 1
322 1 35 PHE H 1 36 LYS H 2.000 . 3.500 2.999 2.229 3.506 0.006 9 0 "[ . 1 . 2]" 1
323 1 37 PRO HA 1 37 PRO QD 2.000 . 6.000 3.249 2.939 3.504 . 0 0 "[ . 1 . 2]" 1
324 1 37 PRO HA 1 38 LYS H 2.000 . 3.500 2.991 2.140 3.563 0.063 8 0 "[ . 1 . 2]" 1
325 1 36 LYS QB 1 37 PRO QD 2.000 . 7.000 1.846 1.677 2.966 0.123 1 0 "[ . 1 . 2]" 1
326 1 36 LYS QG 1 37 PRO QD 2.000 . 7.000 3.332 1.669 3.887 0.131 8 0 "[ . 1 . 2]" 1
327 1 36 LYS H 1 37 PRO QD 2.000 . 6.000 2.857 1.807 3.443 . 0 0 "[ . 1 . 2]" 1
328 1 37 PRO QD 1 38 LYS H 2.000 . 6.000 3.599 1.969 4.933 . 0 0 "[ . 1 . 2]" 1
329 1 37 PRO QG 1 38 LYS H 2.000 . 6.000 3.991 2.669 4.986 . 0 0 "[ . 1 . 2]" 1
330 1 38 LYS HA 1 39 HIS H 2.000 . 3.500 3.429 2.705 3.567 0.067 2 0 "[ . 1 . 2]" 1
331 1 38 LYS H 1 38 LYS QB 2.000 . 4.500 2.778 2.126 3.478 . 0 0 "[ . 1 . 2]" 1
332 1 38 LYS QB 1 39 HIS H 2.000 . 6.000 2.460 1.832 4.080 . 0 0 "[ . 1 . 2]" 1
333 1 38 LYS H 1 38 LYS QD 2.000 . 6.000 4.187 2.257 5.222 . 0 0 "[ . 1 . 2]" 1
334 1 38 LYS H 1 38 LYS QE 2.000 . 6.000 4.657 3.782 5.311 . 0 0 "[ . 1 . 2]" 1
335 1 38 LYS H 1 38 LYS QG 2.000 . 6.000 3.705 2.692 4.439 . 0 0 "[ . 1 . 2]" 1
336 1 35 PHE HZ 1 39 HIS HA 2.000 . 5.000 5.065 5.024 5.133 0.133 17 0 "[ . 1 . 2]" 1
337 1 39 HIS HA 1 40 LYS H 2.000 . 3.500 3.144 2.353 3.558 0.058 20 0 "[ . 1 . 2]" 1
338 1 39 HIS H 1 39 HIS QB 2.000 . 4.500 2.730 2.221 3.085 . 0 0 "[ . 1 . 2]" 1
339 1 39 HIS HB2 1 40 LYS H 2.000 . 3.500 2.800 1.892 3.549 0.049 6 0 "[ . 1 . 2]" 1
340 1 39 HIS H 1 39 HIS HE1 2.000 . 5.000 4.983 4.167 5.166 0.166 20 0 "[ . 1 . 2]" 1
341 1 40 LYS HA 1 41 LYS H 2.000 . 3.500 2.637 2.143 3.517 0.017 16 0 "[ . 1 . 2]" 1
342 1 40 LYS H 1 40 LYS QB 2.000 . 4.500 2.786 2.078 3.494 . 0 0 "[ . 1 . 2]" 1
343 1 40 LYS H 1 40 LYS QD 2.000 . 6.000 4.003 2.618 5.055 . 0 0 "[ . 1 . 2]" 1
344 1 40 LYS H 1 40 LYS QE 2.000 . 6.000 4.690 2.427 5.441 . 0 0 "[ . 1 . 2]" 1
345 1 40 LYS H 1 40 LYS QG 2.000 . 6.000 3.150 1.842 4.181 . 0 0 "[ . 1 . 2]" 1
346 1 41 LYS HA 1 42 LYS H 2.000 . 3.500 2.818 2.139 3.557 0.057 11 0 "[ . 1 . 2]" 1
347 1 41 LYS H 1 41 LYS QB 2.000 . 4.500 2.785 2.042 3.393 . 0 0 "[ . 1 . 2]" 1
348 1 41 LYS H 1 41 LYS QD 2.000 . 6.000 3.933 2.080 5.213 . 0 0 "[ . 1 . 2]" 1
349 1 41 LYS H 1 41 LYS QE 2.000 . 6.000 4.393 1.994 5.353 . 0 0 "[ . 1 . 2]" 1
350 1 41 LYS H 1 41 LYS QG 2.000 . 6.000 3.136 1.889 4.531 . 0 0 "[ . 1 . 2]" 1
351 1 42 LYS H 1 42 LYS QB 2.000 . 4.500 2.663 2.059 3.176 . 0 0 "[ . 1 . 2]" 1
352 1 42 LYS H 1 42 LYS QD 2.000 . 6.000 4.059 3.022 5.049 . 0 0 "[ . 1 . 2]" 1
353 1 42 LYS H 1 42 LYS QE 2.000 . 6.000 4.527 3.325 5.187 . 0 0 "[ . 1 . 2]" 1
354 1 42 LYS H 1 42 LYS QG 2.000 . 6.000 3.135 1.870 4.277 . 0 0 "[ . 1 . 2]" 1
355 1 41 LYS H 1 42 LYS H 2.000 . 5.000 3.503 2.180 4.576 . 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 52
_Distance_constraint_stats_list.Viol_count 179
_Distance_constraint_stats_list.Viol_total 83.796
_Distance_constraint_stats_list.Viol_max 0.082
_Distance_constraint_stats_list.Viol_rms 0.0114
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0040
_Distance_constraint_stats_list.Viol_average_violations_only 0.0234
_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 PRO 0.118 0.071 9 0 "[ . 1 . 2]"
1 5 VAL 0.044 0.029 11 0 "[ . 1 . 2]"
1 6 LYS 0.786 0.064 18 0 "[ . 1 . 2]"
1 7 ALA 0.028 0.016 9 0 "[ . 1 . 2]"
1 8 ILE 0.174 0.071 9 0 "[ . 1 . 2]"
1 9 LYS 0.653 0.082 2 0 "[ . 1 . 2]"
1 10 LYS 0.996 0.064 18 0 "[ . 1 . 2]"
1 11 ALA 0.123 0.053 2 0 "[ . 1 . 2]"
1 12 GLY 0.436 0.051 2 0 "[ . 1 . 2]"
1 13 ALA 0.730 0.082 2 0 "[ . 1 . 2]"
1 14 ALA 0.305 0.059 14 0 "[ . 1 . 2]"
1 15 ILE 0.127 0.053 2 0 "[ . 1 . 2]"
1 16 GLY 0.492 0.051 2 0 "[ . 1 . 2]"
1 17 LYS 0.168 0.027 6 0 "[ . 1 . 2]"
1 18 GLY 0.272 0.041 4 0 "[ . 1 . 2]"
1 19 LEU 0.074 0.021 11 0 "[ . 1 . 2]"
1 20 ARG 0.111 0.031 6 0 "[ . 1 . 2]"
1 21 ALA 0.078 0.027 6 0 "[ . 1 . 2]"
1 22 ILE 0.266 0.041 4 0 "[ . 1 . 2]"
1 23 ASN 0.516 0.072 15 0 "[ . 1 . 2]"
1 24 ILE 0.020 0.015 5 0 "[ . 1 . 2]"
1 25 ALA 0.031 0.019 3 0 "[ . 1 . 2]"
1 26 SER 0.089 0.035 17 0 "[ . 1 . 2]"
1 27 THR 0.527 0.072 15 0 "[ . 1 . 2]"
1 28 ALA 0.066 0.026 1 0 "[ . 1 . 2]"
1 29 HIS 0.116 0.026 8 0 "[ . 1 . 2]"
1 30 ASP 0.120 0.038 6 0 "[ . 1 . 2]"
1 31 VAL 0.342 0.057 9 0 "[ . 1 . 2]"
1 32 TYR 0.046 0.026 1 0 "[ . 1 . 2]"
1 33 SER 0.116 0.026 8 0 "[ . 1 . 2]"
1 34 PHE 0.120 0.038 6 0 "[ . 1 . 2]"
1 35 PHE 0.290 0.057 9 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 PRO O 1 8 ILE H 2.000 . 2.400 2.191 1.823 2.471 0.071 9 0 "[ . 1 . 2]" 2
2 1 4 PRO O 1 8 ILE N 3.000 2.700 3.400 3.093 2.744 3.358 . 0 0 "[ . 1 . 2]" 2
3 1 5 VAL O 1 9 LYS H 2.000 . 2.400 2.057 1.784 2.413 0.013 10 0 "[ . 1 . 2]" 2
4 1 5 VAL O 1 9 LYS N 3.000 2.700 3.400 2.926 2.671 3.337 0.029 11 0 "[ . 1 . 2]" 2
5 1 6 LYS O 1 10 LYS H 2.000 . 2.400 2.431 2.295 2.464 0.064 18 0 "[ . 1 . 2]" 2
6 1 6 LYS O 1 10 LYS N 3.000 2.700 3.400 3.335 3.146 3.424 0.024 16 0 "[ . 1 . 2]" 2
7 1 7 ALA O 1 11 ALA H 2.000 . 2.400 2.196 1.869 2.416 0.016 9 0 "[ . 1 . 2]" 2
8 1 7 ALA O 1 11 ALA N 3.000 2.700 3.400 3.053 2.772 3.312 . 0 0 "[ . 1 . 2]" 2
9 1 8 ILE O 1 12 GLY H 2.000 . 2.400 2.201 1.871 2.433 0.033 15 0 "[ . 1 . 2]" 2
10 1 8 ILE O 1 12 GLY N 3.000 2.700 3.400 3.110 2.718 3.368 . 0 0 "[ . 1 . 2]" 2
11 1 9 LYS O 1 13 ALA H 2.000 . 2.400 2.415 2.240 2.482 0.082 2 0 "[ . 1 . 2]" 2
12 1 9 LYS O 1 13 ALA N 3.000 2.700 3.400 3.049 2.730 3.255 . 0 0 "[ . 1 . 2]" 2
13 1 10 LYS O 1 14 ALA H 2.000 . 2.400 2.321 1.954 2.459 0.059 14 0 "[ . 1 . 2]" 2
14 1 10 LYS O 1 14 ALA N 3.000 2.700 3.400 3.238 2.909 3.375 . 0 0 "[ . 1 . 2]" 2
15 1 11 ALA O 1 15 ILE H 2.000 . 2.400 2.058 1.708 2.403 0.003 10 0 "[ . 1 . 2]" 2
16 1 11 ALA O 1 15 ILE N 3.000 2.700 3.400 3.004 2.647 3.358 0.053 2 0 "[ . 1 . 2]" 2
17 1 12 GLY O 1 16 GLY H 2.000 . 2.400 2.400 2.281 2.451 0.051 2 0 "[ . 1 . 2]" 2
18 1 12 GLY O 1 16 GLY N 3.000 2.700 3.400 3.206 2.927 3.412 0.012 2 0 "[ . 1 . 2]" 2
19 1 13 ALA O 1 17 LYS H 2.000 . 2.400 2.238 1.888 2.426 0.026 16 0 "[ . 1 . 2]" 2
20 1 13 ALA O 1 17 LYS N 3.000 2.700 3.400 3.108 2.684 3.352 0.016 13 0 "[ . 1 . 2]" 2
21 1 14 ALA O 1 18 GLY H 2.000 . 2.400 2.246 1.827 2.435 0.035 14 0 "[ . 1 . 2]" 2
22 1 14 ALA O 1 18 GLY N 3.000 2.700 3.400 3.118 2.720 3.354 . 0 0 "[ . 1 . 2]" 2
23 1 15 ILE O 1 19 LEU H 2.000 . 2.400 2.209 1.760 2.421 0.021 1 0 "[ . 1 . 2]" 2
24 1 15 ILE O 1 19 LEU N 3.000 2.700 3.400 3.150 2.706 3.397 . 0 0 "[ . 1 . 2]" 2
25 1 16 GLY O 1 20 ARG H 2.000 . 2.400 2.308 1.970 2.431 0.031 6 0 "[ . 1 . 2]" 2
26 1 16 GLY O 1 20 ARG N 3.000 2.700 3.400 3.175 2.844 3.405 0.005 6 0 "[ . 1 . 2]" 2
27 1 17 LYS O 1 21 ALA H 2.000 . 2.400 2.144 1.712 2.421 0.021 11 0 "[ . 1 . 2]" 2
28 1 17 LYS O 1 21 ALA N 3.000 2.700 3.400 2.993 2.673 3.277 0.027 6 0 "[ . 1 . 2]" 2
29 1 18 GLY O 1 22 ILE H 2.000 . 2.400 2.276 1.733 2.441 0.041 4 0 "[ . 1 . 2]" 2
30 1 18 GLY O 1 22 ILE N 3.000 2.700 3.400 3.193 2.695 3.397 0.005 3 0 "[ . 1 . 2]" 2
31 1 19 LEU O 1 23 ASN H 2.000 . 2.400 2.167 1.868 2.421 0.021 11 0 "[ . 1 . 2]" 2
32 1 19 LEU O 1 23 ASN N 3.000 2.700 3.400 2.987 2.686 3.274 0.014 6 0 "[ . 1 . 2]" 2
33 1 20 ARG O 1 24 ILE H 2.000 . 2.400 2.145 1.854 2.398 . 0 0 "[ . 1 . 2]" 2
34 1 20 ARG O 1 24 ILE N 3.000 2.700 3.400 3.095 2.796 3.357 . 0 0 "[ . 1 . 2]" 2
35 1 21 ALA O 1 25 ALA H 2.000 . 2.400 2.232 1.927 2.419 0.019 3 0 "[ . 1 . 2]" 2
36 1 21 ALA O 1 25 ALA N 3.000 2.700 3.400 3.069 2.712 3.370 . 0 0 "[ . 1 . 2]" 2
37 1 22 ILE O 1 26 SER H 2.000 . 2.400 1.952 1.736 2.297 . 0 0 "[ . 1 . 2]" 2
38 1 22 ILE O 1 26 SER N 3.000 2.700 3.400 2.815 2.665 3.227 0.035 17 0 "[ . 1 . 2]" 2
39 1 23 ASN O 1 27 THR H 2.000 . 2.400 2.389 2.154 2.472 0.072 15 0 "[ . 1 . 2]" 2
40 1 23 ASN O 1 27 THR N 3.000 2.700 3.400 3.000 2.758 3.196 . 0 0 "[ . 1 . 2]" 2
41 1 24 ILE O 1 28 ALA H 2.000 . 2.400 2.215 1.736 2.415 0.015 5 0 "[ . 1 . 2]" 2
42 1 24 ILE O 1 28 ALA N 3.000 2.700 3.400 3.111 2.695 3.368 0.005 6 0 "[ . 1 . 2]" 2
43 1 27 THR O 1 31 VAL H 2.000 . 2.400 1.982 1.765 2.287 . 0 0 "[ . 1 . 2]" 2
44 1 27 THR O 1 31 VAL N 3.000 2.700 3.400 2.825 2.680 3.081 0.020 2 0 "[ . 1 . 2]" 2
45 1 28 ALA O 1 32 TYR H 2.000 . 2.400 2.089 1.741 2.402 0.002 2 0 "[ . 1 . 2]" 2
46 1 28 ALA O 1 32 TYR N 3.000 2.700 3.400 2.982 2.674 3.278 0.026 1 0 "[ . 1 . 2]" 2
47 1 29 HIS O 1 33 SER H 2.000 . 2.400 2.338 2.044 2.426 0.026 8 0 "[ . 1 . 2]" 2
48 1 29 HIS O 1 33 SER N 3.000 2.700 3.400 3.052 2.768 3.252 . 0 0 "[ . 1 . 2]" 2
49 1 30 ASP O 1 34 PHE H 2.000 . 2.400 2.297 1.979 2.438 0.038 6 0 "[ . 1 . 2]" 2
50 1 30 ASP O 1 34 PHE N 3.000 2.700 3.400 3.262 2.936 3.412 0.012 6 0 "[ . 1 . 2]" 2
51 1 31 VAL O 1 35 PHE H 2.000 . 2.400 2.143 1.919 2.429 0.029 20 0 "[ . 1 . 2]" 2
52 1 31 VAL O 1 35 PHE N 3.000 2.700 3.400 2.715 2.643 2.855 0.057 9 0 "[ . 1 . 2]" 2
stop_
save_
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