Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
528232 | 2l83 RC | 17391 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2l83
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 664
_Distance_constraint_stats_list.Viol_count 1125
_Distance_constraint_stats_list.Viol_total 694.486
_Distance_constraint_stats_list.Viol_max 0.155
_Distance_constraint_stats_list.Viol_rms 0.0112
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0026
_Distance_constraint_stats_list.Viol_average_violations_only 0.0309
_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 GLU 0.778 0.066 18 0 "[ . 1 . 2]"
1 3 TRP 2.192 0.089 6 0 "[ . 1 . 2]"
1 4 LYS 0.605 0.043 14 0 "[ . 1 . 2]"
1 5 LEU 1.539 0.074 17 0 "[ . 1 . 2]"
1 6 PHE 0.540 0.097 11 0 "[ . 1 . 2]"
1 7 ALA 0.451 0.066 20 0 "[ . 1 . 2]"
1 8 ASP 0.714 0.047 16 0 "[ . 1 . 2]"
1 9 LEU 1.651 0.094 5 0 "[ . 1 . 2]"
1 10 ALA 0.834 0.061 15 0 "[ . 1 . 2]"
1 11 GLU 0.927 0.086 4 0 "[ . 1 . 2]"
1 12 VAL 1.602 0.116 13 0 "[ . 1 . 2]"
1 13 ALA 0.528 0.060 7 0 "[ . 1 . 2]"
1 14 GLY 0.287 0.069 15 0 "[ . 1 . 2]"
1 15 SER 0.557 0.055 20 0 "[ . 1 . 2]"
1 16 ARG 1.706 0.093 13 0 "[ . 1 . 2]"
1 17 THR 0.517 0.042 7 0 "[ . 1 . 2]"
1 18 VAL 0.406 0.066 7 0 "[ . 1 . 2]"
1 19 ARG 0.234 0.041 5 0 "[ . 1 . 2]"
1 20 VAL 0.069 0.041 5 0 "[ . 1 . 2]"
1 21 ASP 1.530 0.082 5 0 "[ . 1 . 2]"
1 22 VAL 1.378 0.090 12 0 "[ . 1 . 2]"
1 23 ASP 0.031 0.017 8 0 "[ . 1 . 2]"
1 24 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 ASP 0.063 0.032 2 0 "[ . 1 . 2]"
1 26 ALA 0.162 0.032 2 0 "[ . 1 . 2]"
1 27 THR 1.242 0.052 9 0 "[ . 1 . 2]"
1 28 VAL 2.434 0.128 11 0 "[ . 1 . 2]"
1 29 GLY 3.587 0.128 11 0 "[ . 1 . 2]"
1 30 ASP 1.670 0.057 18 0 "[ . 1 . 2]"
1 31 ALA 1.509 0.077 20 0 "[ . 1 . 2]"
1 32 LEU 1.138 0.080 8 0 "[ . 1 . 2]"
1 33 ASP 1.805 0.085 11 0 "[ . 1 . 2]"
1 34 ALA 0.343 0.085 11 0 "[ . 1 . 2]"
1 35 LEU 0.937 0.077 20 0 "[ . 1 . 2]"
1 36 VAL 1.386 0.095 13 0 "[ . 1 . 2]"
1 37 GLY 1.251 0.077 8 0 "[ . 1 . 2]"
1 38 ALA 1.149 0.095 13 0 "[ . 1 . 2]"
1 39 HIS 2.963 0.155 11 0 "[ . 1 . 2]"
1 40 PRO 1.380 0.100 14 0 "[ . 1 . 2]"
1 41 ALA 0.579 0.109 12 0 "[ . 1 . 2]"
1 42 LEU 2.341 0.149 3 0 "[ . 1 . 2]"
1 43 GLU 2.021 0.116 13 0 "[ . 1 . 2]"
1 44 SER 0.010 0.010 18 0 "[ . 1 . 2]"
1 45 ARG 0.138 0.049 6 0 "[ . 1 . 2]"
1 46 VAL 0.523 0.092 1 0 "[ . 1 . 2]"
1 47 PHE 0.576 0.084 3 0 "[ . 1 . 2]"
1 48 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 ASP 0.406 0.061 19 0 "[ . 1 . 2]"
1 50 ASP 0.153 0.041 20 0 "[ . 1 . 2]"
1 51 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 ILE 0.832 0.071 17 0 "[ . 1 . 2]"
1 58 ASN 0.995 0.071 17 0 "[ . 1 . 2]"
1 59 VAL 0.930 0.096 8 0 "[ . 1 . 2]"
1 60 LEU 0.867 0.053 8 0 "[ . 1 . 2]"
1 61 ARG 0.129 0.030 14 0 "[ . 1 . 2]"
1 62 ASN 0.027 0.015 13 0 "[ . 1 . 2]"
1 63 GLY 0.611 0.058 16 0 "[ . 1 . 2]"
1 64 GLU 0.955 0.080 16 0 "[ . 1 . 2]"
1 65 ALA 0.758 0.080 16 0 "[ . 1 . 2]"
1 66 ALA 0.654 0.068 8 0 "[ . 1 . 2]"
1 67 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 LEU 1.377 0.093 16 0 "[ . 1 . 2]"
1 69 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 GLU 0.143 0.046 15 0 "[ . 1 . 2]"
1 71 ALA 0.738 0.043 8 0 "[ . 1 . 2]"
1 72 THR 0.459 0.054 13 0 "[ . 1 . 2]"
1 73 ALA 0.470 0.054 13 0 "[ . 1 . 2]"
1 74 ALA 0.127 0.052 16 0 "[ . 1 . 2]"
1 75 GLY 0.088 0.045 16 0 "[ . 1 . 2]"
1 76 ASP 1.658 0.069 9 0 "[ . 1 . 2]"
1 77 GLU 1.095 0.069 9 0 "[ . 1 . 2]"
1 78 LEU 0.932 0.060 6 0 "[ . 1 . 2]"
1 79 ALA 1.406 0.089 6 0 "[ . 1 . 2]"
1 80 LEU 0.308 0.065 16 0 "[ . 1 . 2]"
1 81 PHE 1.101 0.093 15 0 "[ . 1 . 2]"
1 83 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 VAL 0.352 0.095 14 0 "[ . 1 . 2]"
1 85 SER 0.007 0.007 8 0 "[ . 1 . 2]"
1 86 GLY 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 3 TRP H 1 3 TRP HB3 1.800 . 4.000 3.515 2.854 3.994 . 0 0 "[ . 1 . 2]" 1
2 1 3 TRP H 1 3 TRP HB2 1.800 . 4.000 3.159 2.782 3.957 . 0 0 "[ . 1 . 2]" 1
3 1 2 GLU HA 1 3 TRP H 1.800 . 3.000 2.404 2.180 2.546 . 0 0 "[ . 1 . 2]" 1
4 1 2 GLU QB 1 3 TRP H 1.800 . 5.000 2.445 2.177 2.932 . 0 0 "[ . 1 . 2]" 1
5 1 2 GLU HG3 1 3 TRP H 1.800 . 5.000 4.630 3.964 4.999 . 0 0 "[ . 1 . 2]" 1
6 1 3 TRP H 1 4 LYS H 1.800 . 4.500 4.244 3.979 4.382 . 0 0 "[ . 1 . 2]" 1
7 1 3 TRP H 1 17 THR HA 1.800 . 5.000 4.528 4.166 4.944 . 0 0 "[ . 1 . 2]" 1
8 1 3 TRP H 1 18 VAL MG2 1.800 . 5.000 4.981 4.658 5.019 0.019 17 0 "[ . 1 . 2]" 1
9 1 3 TRP H 1 19 ARG HA 1.800 . 3.500 3.436 3.060 3.527 0.027 1 0 "[ . 1 . 2]" 1
10 1 3 TRP H 1 20 VAL H 1.800 . 6.000 5.211 4.510 5.520 . 0 0 "[ . 1 . 2]" 1
11 1 3 TRP H 1 18 VAL H 1.800 . 4.000 3.032 2.708 3.373 . 0 0 "[ . 1 . 2]" 1
12 1 3 TRP H 1 18 VAL HA 1.800 . 5.000 4.943 4.644 5.019 0.019 16 0 "[ . 1 . 2]" 1
13 1 3 TRP H 1 19 ARG H 1.800 . 5.000 4.950 4.824 5.015 0.015 14 0 "[ . 1 . 2]" 1
14 1 3 TRP H 1 19 ARG QB 1.800 . 5.500 4.773 3.944 5.367 . 0 0 "[ . 1 . 2]" 1
15 1 3 TRP H 1 18 VAL HB 1.800 . 4.500 4.398 4.129 4.521 0.021 7 0 "[ . 1 . 2]" 1
16 1 3 TRP H 1 79 ALA HA 1.800 . 5.000 5.054 5.021 5.089 0.089 6 0 "[ . 1 . 2]" 1
17 1 4 LYS H 1 4 LYS QB 1.800 . 3.500 2.562 2.391 2.727 . 0 0 "[ . 1 . 2]" 1
18 1 4 LYS H 1 4 LYS HG3 1.800 . 5.500 3.689 2.926 4.399 . 0 0 "[ . 1 . 2]" 1
19 1 4 LYS H 1 4 LYS HG2 1.800 . 5.500 4.444 3.891 4.850 . 0 0 "[ . 1 . 2]" 1
20 1 3 TRP HA 1 4 LYS H 1.800 . 3.000 2.236 2.147 2.519 . 0 0 "[ . 1 . 2]" 1
21 1 3 TRP HB3 1 4 LYS H 1.800 . 4.000 3.516 2.929 4.031 0.031 14 0 "[ . 1 . 2]" 1
22 1 3 TRP HB2 1 4 LYS H 1.800 . 4.500 3.922 2.163 4.512 0.012 15 0 "[ . 1 . 2]" 1
23 1 4 LYS H 1 79 ALA HA 1.800 . 3.000 1.970 1.827 2.141 . 0 0 "[ . 1 . 2]" 1
24 1 4 LYS H 1 79 ALA MB 1.800 . 5.500 3.467 3.334 3.622 . 0 0 "[ . 1 . 2]" 1
25 1 4 LYS H 1 78 LEU QB 1.800 . 6.000 5.994 5.882 6.043 0.043 14 0 "[ . 1 . 2]" 1
26 1 4 LYS H 1 78 LEU HA 1.800 . 6.000 5.861 5.644 5.995 . 0 0 "[ . 1 . 2]" 1
27 1 4 LYS H 1 80 LEU H 1.800 . 3.000 2.713 2.208 2.988 . 0 0 "[ . 1 . 2]" 1
28 1 4 LYS H 1 80 LEU QB 1.800 . 4.500 3.248 2.877 3.499 . 0 0 "[ . 1 . 2]" 1
29 1 5 LEU H 1 5 LEU MD1 1.800 . 6.000 4.196 2.956 4.635 . 0 0 "[ . 1 . 2]" 1
30 1 5 LEU H 1 5 LEU MD2 1.800 . 6.000 4.265 2.651 4.788 . 0 0 "[ . 1 . 2]" 1
31 1 4 LYS HA 1 5 LEU H 1.800 . 3.000 2.282 2.204 2.382 . 0 0 "[ . 1 . 2]" 1
32 1 5 LEU H 1 17 THR HA 1.800 . 3.500 3.254 2.866 3.526 0.026 20 0 "[ . 1 . 2]" 1
33 1 5 LEU H 1 17 THR HB 1.800 . 4.500 4.412 3.972 4.542 0.042 7 0 "[ . 1 . 2]" 1
34 1 5 LEU H 1 17 THR MG 1.800 . 3.000 2.356 1.929 2.877 . 0 0 "[ . 1 . 2]" 1
35 1 4 LYS QB 1 5 LEU H 1.800 . 3.000 2.925 2.585 3.030 0.030 5 0 "[ . 1 . 2]" 1
36 1 5 LEU H 1 80 LEU QB 1.800 . 6.000 5.017 4.715 5.324 . 0 0 "[ . 1 . 2]" 1
37 1 5 LEU H 1 79 ALA MB 1.800 . 5.500 5.105 4.637 5.355 . 0 0 "[ . 1 . 2]" 1
38 1 6 PHE H 1 6 PHE HB3 1.800 . 3.500 2.999 2.523 3.386 . 0 0 "[ . 1 . 2]" 1
39 1 6 PHE H 1 6 PHE HB2 1.800 . 3.500 2.374 2.150 3.597 0.097 11 0 "[ . 1 . 2]" 1
40 1 5 LEU HA 1 6 PHE H 1.800 . 3.000 2.303 2.165 2.415 . 0 0 "[ . 1 . 2]" 1
41 1 6 PHE H 1 16 ARG HB3 1.800 . 6.000 5.056 3.723 5.987 . 0 0 "[ . 1 . 2]" 1
42 1 6 PHE H 1 16 ARG HB2 1.800 . 6.000 5.142 3.952 6.032 0.032 20 0 "[ . 1 . 2]" 1
43 1 6 PHE H 1 81 PHE HA 1.800 . 4.500 3.550 3.315 3.861 . 0 0 "[ . 1 . 2]" 1
44 1 6 PHE H 1 81 PHE H 1.800 . 6.000 5.979 5.747 6.044 0.044 9 0 "[ . 1 . 2]" 1
45 1 6 PHE H 1 80 LEU H 1.800 . 6.000 5.616 5.157 5.984 . 0 0 "[ . 1 . 2]" 1
46 1 7 ALA H 1 7 ALA MB 1.800 . 3.500 2.192 2.085 2.259 . 0 0 "[ . 1 . 2]" 1
47 1 6 PHE HA 1 7 ALA H 1.800 . 3.000 2.569 2.399 2.687 . 0 0 "[ . 1 . 2]" 1
48 1 6 PHE HB3 1 7 ALA H 1.800 . 5.000 2.775 2.069 3.624 . 0 0 "[ . 1 . 2]" 1
49 1 6 PHE HB2 1 7 ALA H 1.800 . 4.000 3.746 2.120 4.017 0.017 15 0 "[ . 1 . 2]" 1
50 1 6 PHE H 1 7 ALA H 1.800 . 5.000 4.536 4.468 4.592 . 0 0 "[ . 1 . 2]" 1
51 1 7 ALA H 1 8 ASP H 1.800 . 3.000 2.727 2.562 3.024 0.024 11 0 "[ . 1 . 2]" 1
52 1 7 ALA H 1 10 ALA MB 1.800 . 5.000 4.106 3.659 4.434 . 0 0 "[ . 1 . 2]" 1
53 1 7 ALA H 1 9 LEU H 1.800 . 5.000 4.636 4.417 4.935 . 0 0 "[ . 1 . 2]" 1
54 1 7 ALA H 1 10 ALA H 1.800 . 5.500 4.748 4.342 5.045 . 0 0 "[ . 1 . 2]" 1
55 1 8 ASP H 1 8 ASP QB 1.800 . 3.500 2.238 2.064 2.563 . 0 0 "[ . 1 . 2]" 1
56 1 7 ALA HA 1 8 ASP H 1.800 . 4.000 3.446 3.370 3.525 . 0 0 "[ . 1 . 2]" 1
57 1 7 ALA MB 1 8 ASP H 1.800 . 4.000 3.023 2.743 3.219 . 0 0 "[ . 1 . 2]" 1
58 1 8 ASP H 1 9 LEU QB 1.800 . 6.000 4.953 4.634 5.262 . 0 0 "[ . 1 . 2]" 1
59 1 8 ASP H 1 9 LEU H 1.800 . 3.000 2.800 2.669 3.008 0.008 11 0 "[ . 1 . 2]" 1
60 1 8 ASP H 1 10 ALA H 1.800 . 4.000 3.953 3.688 4.047 0.047 16 0 "[ . 1 . 2]" 1
61 1 9 LEU H 1 9 LEU QB 1.800 . 3.500 2.479 2.227 2.772 . 0 0 "[ . 1 . 2]" 1
62 1 9 LEU H 1 9 LEU QD 1.800 . 6.000 2.572 1.870 3.123 . 0 0 "[ . 1 . 2]" 1
63 1 7 ALA MB 1 9 LEU H 1.800 . 5.500 4.574 4.448 4.770 . 0 0 "[ . 1 . 2]" 1
64 1 7 ALA HA 1 9 LEU H 1.800 . 4.000 3.872 3.675 4.046 0.046 11 0 "[ . 1 . 2]" 1
65 1 8 ASP HA 1 9 LEU H 1.800 . 3.500 3.518 3.495 3.540 0.040 11 0 "[ . 1 . 2]" 1
66 1 8 ASP QB 1 9 LEU H 1.800 . 3.000 2.675 2.498 2.845 . 0 0 "[ . 1 . 2]" 1
67 1 9 LEU H 1 10 ALA MB 1.800 . 4.500 3.750 3.649 3.879 . 0 0 "[ . 1 . 2]" 1
68 1 9 LEU H 1 10 ALA H 1.800 . 3.000 2.072 1.979 2.177 . 0 0 "[ . 1 . 2]" 1
69 1 9 LEU H 1 11 GLU QB 1.800 . 5.500 4.653 4.465 4.924 . 0 0 "[ . 1 . 2]" 1
70 1 9 LEU H 1 11 GLU H 1.800 . 4.000 3.648 3.372 3.944 . 0 0 "[ . 1 . 2]" 1
71 1 10 ALA H 1 10 ALA MB 1.800 . 3.500 2.161 2.048 2.319 . 0 0 "[ . 1 . 2]" 1
72 1 9 LEU QB 1 10 ALA H 1.800 . 3.500 2.859 2.623 3.370 . 0 0 "[ . 1 . 2]" 1
73 1 9 LEU QD 1 10 ALA H 1.800 . 4.500 3.809 2.832 4.231 . 0 0 "[ . 1 . 2]" 1
74 1 10 ALA H 1 11 GLU H 1.800 . 3.000 2.621 2.327 2.762 . 0 0 "[ . 1 . 2]" 1
75 1 7 ALA MB 1 10 ALA H 1.800 . 5.000 4.369 3.777 4.700 . 0 0 "[ . 1 . 2]" 1
76 1 7 ALA HA 1 10 ALA H 1.800 . 3.500 2.993 2.604 3.324 . 0 0 "[ . 1 . 2]" 1
77 1 11 GLU H 1 11 GLU QB 1.800 . 3.500 2.153 2.043 2.303 . 0 0 "[ . 1 . 2]" 1
78 1 8 ASP HA 1 11 GLU H 1.800 . 5.000 4.600 4.360 4.853 . 0 0 "[ . 1 . 2]" 1
79 1 10 ALA MB 1 11 GLU H 1.800 . 4.500 3.214 3.068 3.323 . 0 0 "[ . 1 . 2]" 1
80 1 11 GLU H 1 12 VAL MG2 1.800 . 6.000 3.941 3.626 4.283 . 0 0 "[ . 1 . 2]" 1
81 1 11 GLU H 1 13 ALA H 1.800 . 4.500 4.144 3.687 4.460 . 0 0 "[ . 1 . 2]" 1
82 1 9 LEU HA 1 11 GLU H 1.800 . 4.000 3.668 3.532 3.806 . 0 0 "[ . 1 . 2]" 1
83 1 7 ALA MB 1 11 GLU H 1.800 . 4.000 3.985 3.769 4.066 0.066 20 0 "[ . 1 . 2]" 1
84 1 11 GLU H 1 14 GLY H 1.800 . 4.500 4.361 4.074 4.569 0.069 15 0 "[ . 1 . 2]" 1
85 1 11 GLU H 1 12 VAL HB 1.800 . 5.500 5.072 4.459 5.383 . 0 0 "[ . 1 . 2]" 1
86 1 11 GLU H 1 12 VAL HA 1.800 . 6.000 5.219 4.917 5.394 . 0 0 "[ . 1 . 2]" 1
87 1 11 GLU H 1 42 LEU QD 1.800 . 5.000 4.974 4.658 5.085 0.085 4 0 "[ . 1 . 2]" 1
88 1 11 GLU H 1 42 LEU QB 1.800 . 5.000 4.542 4.031 4.908 . 0 0 "[ . 1 . 2]" 1
89 1 11 GLU H 1 42 LEU HA 1.800 . 6.000 5.125 4.551 5.504 . 0 0 "[ . 1 . 2]" 1
90 1 12 VAL H 1 12 VAL HB 1.800 . 3.500 2.652 2.480 2.734 . 0 0 "[ . 1 . 2]" 1
91 1 12 VAL H 1 12 VAL MG2 1.800 . 4.000 2.270 2.067 2.467 . 0 0 "[ . 1 . 2]" 1
92 1 11 GLU HA 1 12 VAL H 1.800 . 4.000 3.521 3.483 3.563 . 0 0 "[ . 1 . 2]" 1
93 1 12 VAL H 1 13 ALA MB 1.800 . 6.000 4.110 3.860 4.336 . 0 0 "[ . 1 . 2]" 1
94 1 12 VAL H 1 13 ALA H 1.800 . 4.000 2.340 2.212 2.436 . 0 0 "[ . 1 . 2]" 1
95 1 9 LEU HA 1 12 VAL H 1.800 . 5.000 3.950 3.361 4.356 . 0 0 "[ . 1 . 2]" 1
96 1 12 VAL H 1 14 GLY H 1.800 . 4.000 3.731 3.426 3.998 . 0 0 "[ . 1 . 2]" 1
97 1 12 VAL H 1 42 LEU HA 1.800 . 5.500 3.281 2.779 3.638 . 0 0 "[ . 1 . 2]" 1
98 1 12 VAL H 1 42 LEU QD 1.800 . 5.500 4.722 4.393 5.011 . 0 0 "[ . 1 . 2]" 1
99 1 12 VAL H 1 42 LEU QB 1.800 . 4.000 3.891 3.507 4.064 0.064 19 0 "[ . 1 . 2]" 1
100 1 11 GLU QB 1 12 VAL H 1.800 . 4.000 2.820 2.579 3.028 . 0 0 "[ . 1 . 2]" 1
101 1 10 ALA HA 1 12 VAL H 1.800 . 4.000 3.961 3.816 4.049 0.049 4 0 "[ . 1 . 2]" 1
102 1 10 ALA MB 1 12 VAL H 1.800 . 6.000 4.702 4.532 4.818 . 0 0 "[ . 1 . 2]" 1
103 1 10 ALA H 1 12 VAL H 1.800 . 5.000 4.566 4.304 4.828 . 0 0 "[ . 1 . 2]" 1
104 1 9 LEU H 1 12 VAL H 1.800 . 6.000 5.494 4.789 6.007 0.007 15 0 "[ . 1 . 2]" 1
105 1 13 ALA H 1 13 ALA MB 1.800 . 3.500 2.223 2.105 2.398 . 0 0 "[ . 1 . 2]" 1
106 1 12 VAL HA 1 13 ALA H 1.800 . 4.000 3.553 3.496 3.580 . 0 0 "[ . 1 . 2]" 1
107 1 12 VAL HB 1 13 ALA H 1.800 . 4.000 2.618 2.320 2.909 . 0 0 "[ . 1 . 2]" 1
108 1 12 VAL MG2 1 13 ALA H 1.800 . 6.000 3.698 3.558 3.911 . 0 0 "[ . 1 . 2]" 1
109 1 11 GLU HA 1 13 ALA H 1.800 . 5.500 4.950 4.385 5.367 . 0 0 "[ . 1 . 2]" 1
110 1 12 VAL QG 1 13 ALA H 1.800 . 4.500 3.268 3.124 3.401 . 0 0 "[ . 1 . 2]" 1
111 1 13 ALA H 1 14 GLY HA3 1.800 . 5.500 5.026 4.780 5.251 . 0 0 "[ . 1 . 2]" 1
112 1 13 ALA H 1 14 GLY HA2 1.800 . 5.500 4.664 4.392 4.972 . 0 0 "[ . 1 . 2]" 1
113 1 13 ALA H 1 15 SER H 1.800 . 4.500 4.357 3.895 4.555 0.055 20 0 "[ . 1 . 2]" 1
114 1 10 ALA HA 1 13 ALA H 1.800 . 4.000 3.352 2.951 3.686 . 0 0 "[ . 1 . 2]" 1
115 1 10 ALA MB 1 13 ALA H 1.800 . 5.000 4.712 4.300 5.019 0.019 9 0 "[ . 1 . 2]" 1
116 1 9 LEU HA 1 13 ALA H 1.800 . 5.000 4.817 4.249 5.060 0.060 7 0 "[ . 1 . 2]" 1
117 1 13 ALA HA 1 14 GLY H 1.800 . 4.000 3.547 3.501 3.565 . 0 0 "[ . 1 . 2]" 1
118 1 13 ALA MB 1 14 GLY H 1.800 . 4.000 2.623 2.502 2.865 . 0 0 "[ . 1 . 2]" 1
119 1 14 GLY H 1 15 SER HA 1.800 . 5.000 4.799 4.285 5.024 0.024 8 0 "[ . 1 . 2]" 1
120 1 14 GLY H 1 15 SER H 1.800 . 4.000 2.562 2.174 2.788 . 0 0 "[ . 1 . 2]" 1
121 1 12 VAL HB 1 14 GLY H 1.800 . 5.500 4.966 4.561 5.292 . 0 0 "[ . 1 . 2]" 1
122 1 12 VAL QG 1 14 GLY H 1.800 . 6.000 4.756 4.577 4.916 . 0 0 "[ . 1 . 2]" 1
123 1 12 VAL HA 1 14 GLY H 1.800 . 5.000 4.858 4.444 5.028 0.028 8 0 "[ . 1 . 2]" 1
124 1 10 ALA HA 1 14 GLY H 1.800 . 4.000 2.463 2.009 3.052 . 0 0 "[ . 1 . 2]" 1
125 1 10 ALA MB 1 14 GLY H 1.800 . 4.500 3.448 3.042 3.834 . 0 0 "[ . 1 . 2]" 1
126 1 13 ALA MB 1 15 SER H 1.800 . 4.000 2.489 2.083 2.856 . 0 0 "[ . 1 . 2]" 1
127 1 14 GLY HA3 1 15 SER H 1.800 . 4.000 3.135 2.823 3.494 . 0 0 "[ . 1 . 2]" 1
128 1 14 GLY HA2 1 15 SER H 1.800 . 4.000 3.358 2.997 3.542 . 0 0 "[ . 1 . 2]" 1
129 1 15 SER H 1 16 ARG H 1.800 . 5.000 4.113 3.525 4.441 . 0 0 "[ . 1 . 2]" 1
130 1 13 ALA HA 1 15 SER H 1.800 . 5.500 4.499 4.123 4.994 . 0 0 "[ . 1 . 2]" 1
131 1 10 ALA HA 1 15 SER H 1.800 . 3.500 3.151 2.305 3.542 0.042 16 0 "[ . 1 . 2]" 1
132 1 10 ALA MB 1 15 SER H 1.800 . 4.000 3.477 2.748 4.023 0.023 16 0 "[ . 1 . 2]" 1
133 1 16 ARG H 1 16 ARG HB3 1.800 . 3.500 3.303 2.777 3.535 0.035 9 0 "[ . 1 . 2]" 1
134 1 16 ARG H 1 16 ARG HB2 1.800 . 3.500 3.157 2.266 3.593 0.093 13 0 "[ . 1 . 2]" 1
135 1 16 ARG H 1 17 THR HA 1.800 . 5.000 4.783 4.401 5.018 0.018 8 0 "[ . 1 . 2]" 1
136 1 16 ARG H 1 17 THR H 1.800 . 5.000 2.465 2.155 2.914 . 0 0 "[ . 1 . 2]" 1
137 1 5 LEU H 1 16 ARG H 1.800 . 5.000 4.742 3.939 5.074 0.074 17 0 "[ . 1 . 2]" 1
138 1 5 LEU HB3 1 16 ARG H 1.800 . 4.500 4.394 3.766 4.569 0.069 9 0 "[ . 1 . 2]" 1
139 1 5 LEU HB2 1 16 ARG H 1.800 . 5.500 4.762 2.663 5.511 0.011 16 0 "[ . 1 . 2]" 1
140 1 10 ALA MB 1 16 ARG H 1.800 . 4.000 3.179 2.285 4.061 0.061 15 0 "[ . 1 . 2]" 1
141 1 4 LYS HA 1 16 ARG H 1.800 . 6.500 5.818 5.216 6.186 . 0 0 "[ . 1 . 2]" 1
142 1 17 THR H 1 17 THR HB 1.800 . 4.000 3.687 3.663 3.718 . 0 0 "[ . 1 . 2]" 1
143 1 17 THR H 1 17 THR MG 1.800 . 6.000 2.274 2.052 2.406 . 0 0 "[ . 1 . 2]" 1
144 1 5 LEU H 1 17 THR H 1.800 . 5.000 4.002 3.607 4.677 . 0 0 "[ . 1 . 2]" 1
145 1 16 ARG HA 1 17 THR H 1.800 . 4.000 3.350 2.865 3.581 . 0 0 "[ . 1 . 2]" 1
146 1 16 ARG HB3 1 17 THR H 1.800 . 4.500 3.982 3.534 4.265 . 0 0 "[ . 1 . 2]" 1
147 1 16 ARG HB2 1 17 THR H 1.800 . 4.500 3.397 2.165 4.485 . 0 0 "[ . 1 . 2]" 1
148 1 17 THR H 1 18 VAL MG2 1.800 . 6.000 3.969 3.607 4.306 . 0 0 "[ . 1 . 2]" 1
149 1 17 THR H 1 18 VAL H 1.800 . 5.000 4.493 4.316 4.581 . 0 0 "[ . 1 . 2]" 1
150 1 17 THR H 1 18 VAL HA 1.800 . 5.500 5.263 5.143 5.321 . 0 0 "[ . 1 . 2]" 1
151 1 4 LYS HA 1 17 THR H 1.800 . 5.000 4.244 3.831 4.670 . 0 0 "[ . 1 . 2]" 1
152 1 18 VAL H 1 18 VAL HB 1.800 . 4.000 2.971 2.836 3.148 . 0 0 "[ . 1 . 2]" 1
153 1 18 VAL H 1 18 VAL MG2 1.800 . 6.000 2.685 2.387 2.848 . 0 0 "[ . 1 . 2]" 1
154 1 3 TRP HB3 1 18 VAL H 1.800 . 5.000 3.570 2.079 5.066 0.066 7 0 "[ . 1 . 2]" 1
155 1 3 TRP HB2 1 18 VAL H 1.800 . 5.000 3.566 2.315 4.789 . 0 0 "[ . 1 . 2]" 1
156 1 17 THR HA 1 18 VAL H 1.800 . 3.000 2.194 2.141 2.267 . 0 0 "[ . 1 . 2]" 1
157 1 17 THR HB 1 18 VAL H 1.800 . 4.000 3.193 2.825 3.646 . 0 0 "[ . 1 . 2]" 1
158 1 4 LYS HA 1 18 VAL H 1.800 . 4.000 3.583 3.395 3.703 . 0 0 "[ . 1 . 2]" 1
159 1 4 LYS H 1 18 VAL H 1.800 . 5.000 4.701 4.382 4.970 . 0 0 "[ . 1 . 2]" 1
160 1 3 TRP HA 1 18 VAL H 1.800 . 5.000 4.532 4.079 4.892 . 0 0 "[ . 1 . 2]" 1
161 1 19 ARG H 1 19 ARG QD 1.800 . 6.000 3.850 2.078 4.927 . 0 0 "[ . 1 . 2]" 1
162 1 18 VAL HA 1 19 ARG H 1.800 . 3.000 2.253 2.153 2.438 . 0 0 "[ . 1 . 2]" 1
163 1 18 VAL MG1 1 19 ARG H 1.800 . 5.500 2.452 1.912 3.050 . 0 0 "[ . 1 . 2]" 1
164 1 18 VAL MG2 1 19 ARG H 1.800 . 5.500 4.142 3.921 4.297 . 0 0 "[ . 1 . 2]" 1
165 1 19 ARG H 1 20 VAL H 1.800 . 5.000 4.501 4.406 4.612 . 0 0 "[ . 1 . 2]" 1
166 1 20 VAL H 1 20 VAL HB 1.800 . 3.500 2.737 2.626 3.072 . 0 0 "[ . 1 . 2]" 1
167 1 20 VAL H 1 20 VAL QG 1.800 . 3.500 2.402 2.002 2.831 . 0 0 "[ . 1 . 2]" 1
168 1 19 ARG HA 1 20 VAL H 1.800 . 3.000 2.276 2.157 2.389 . 0 0 "[ . 1 . 2]" 1
169 1 19 ARG QB 1 20 VAL H 1.800 . 3.000 2.816 2.510 3.041 0.041 5 0 "[ . 1 . 2]" 1
170 1 19 ARG QD 1 20 VAL H 1.800 . 5.500 4.672 2.957 5.443 . 0 0 "[ . 1 . 2]" 1
171 1 20 VAL H 1 21 ASP H 1.800 . 5.000 4.368 4.104 4.502 . 0 0 "[ . 1 . 2]" 1
172 1 21 ASP H 1 21 ASP HB3 1.800 . 3.500 3.459 3.124 3.563 0.063 3 0 "[ . 1 . 2]" 1
173 1 21 ASP H 1 21 ASP HB2 1.800 . 3.500 2.762 2.325 3.582 0.082 5 0 "[ . 1 . 2]" 1
174 1 20 VAL HA 1 21 ASP H 1.800 . 3.500 2.140 2.120 2.186 . 0 0 "[ . 1 . 2]" 1
175 1 20 VAL HB 1 21 ASP H 1.800 . 5.000 4.189 3.953 4.310 . 0 0 "[ . 1 . 2]" 1
176 1 20 VAL QG 1 21 ASP H 1.800 . 3.500 2.625 2.216 2.795 . 0 0 "[ . 1 . 2]" 1
177 1 21 ASP H 1 22 VAL HB 1.800 . 5.500 4.953 4.354 5.545 0.045 15 0 "[ . 1 . 2]" 1
178 1 21 ASP H 1 22 VAL H 1.800 . 4.000 2.167 1.978 2.875 . 0 0 "[ . 1 . 2]" 1
179 1 21 ASP H 1 22 VAL QG 1.800 . 4.500 3.406 3.048 4.048 . 0 0 "[ . 1 . 2]" 1
180 1 22 VAL H 1 22 VAL HB 1.800 . 3.500 2.991 2.612 3.590 0.090 12 0 "[ . 1 . 2]" 1
181 1 22 VAL H 1 22 VAL QG 1.800 . 3.500 2.078 1.895 2.546 . 0 0 "[ . 1 . 2]" 1
182 1 21 ASP HA 1 22 VAL H 1.800 . 3.500 3.497 2.907 3.553 0.053 8 0 "[ . 1 . 2]" 1
183 1 21 ASP HB3 1 22 VAL H 1.800 . 5.000 3.285 2.331 4.675 . 0 0 "[ . 1 . 2]" 1
184 1 21 ASP HB2 1 22 VAL H 1.800 . 5.000 3.029 2.410 4.385 . 0 0 "[ . 1 . 2]" 1
185 1 22 VAL H 1 23 ASP H 1.800 . 5.000 4.544 4.374 4.606 . 0 0 "[ . 1 . 2]" 1
186 1 23 ASP H 1 23 ASP QB 1.800 . 3.500 2.526 2.252 3.103 . 0 0 "[ . 1 . 2]" 1
187 1 22 VAL HA 1 23 ASP H 1.800 . 3.000 2.264 2.148 2.432 . 0 0 "[ . 1 . 2]" 1
188 1 22 VAL HB 1 23 ASP H 1.800 . 4.000 3.721 2.338 4.017 0.017 8 0 "[ . 1 . 2]" 1
189 1 22 VAL QG 1 23 ASP H 1.800 . 4.000 2.460 2.025 3.601 . 0 0 "[ . 1 . 2]" 1
190 1 23 ASP H 1 24 GLY H 1.800 . 5.000 4.455 4.303 4.616 . 0 0 "[ . 1 . 2]" 1
191 1 23 ASP HA 1 24 GLY H 1.800 . 3.000 2.245 2.136 2.505 . 0 0 "[ . 1 . 2]" 1
192 1 23 ASP QB 1 24 GLY H 1.800 . 4.000 3.163 2.184 3.841 . 0 0 "[ . 1 . 2]" 1
193 1 24 GLY H 1 25 ASP HA 1.800 . 5.500 4.841 4.431 5.277 . 0 0 "[ . 1 . 2]" 1
194 1 26 ALA H 1 26 ALA MB 1.800 . 3.500 2.277 2.091 2.488 . 0 0 "[ . 1 . 2]" 1
195 1 24 GLY HA3 1 26 ALA H 1.800 . 6.000 3.989 3.299 5.717 . 0 0 "[ . 1 . 2]" 1
196 1 24 GLY HA2 1 26 ALA H 1.800 . 6.000 4.655 3.882 5.233 . 0 0 "[ . 1 . 2]" 1
197 1 25 ASP HA 1 26 ALA H 1.800 . 4.000 3.214 2.829 3.575 . 0 0 "[ . 1 . 2]" 1
198 1 25 ASP QB 1 26 ALA H 1.800 . 4.000 3.352 2.154 3.862 . 0 0 "[ . 1 . 2]" 1
199 1 26 ALA H 1 27 THR H 1.800 . 5.000 4.457 4.223 4.635 . 0 0 "[ . 1 . 2]" 1
200 1 27 THR H 1 27 THR HB 1.800 . 3.500 3.208 2.947 3.466 . 0 0 "[ . 1 . 2]" 1
201 1 27 THR H 1 27 THR MG 1.800 . 6.000 3.612 3.185 3.872 . 0 0 "[ . 1 . 2]" 1
202 1 26 ALA HA 1 27 THR H 1.800 . 4.000 2.206 2.141 2.568 . 0 0 "[ . 1 . 2]" 1
203 1 26 ALA MB 1 27 THR H 1.800 . 5.000 3.056 2.141 3.315 . 0 0 "[ . 1 . 2]" 1
204 1 27 THR H 1 28 VAL H 1.800 . 5.000 4.529 4.461 4.614 . 0 0 "[ . 1 . 2]" 1
205 1 27 THR H 1 30 ASP HB3 1.800 . 3.500 2.234 1.929 2.891 . 0 0 "[ . 1 . 2]" 1
206 1 27 THR H 1 30 ASP HB2 1.800 . 3.500 3.156 2.259 3.505 0.005 4 0 "[ . 1 . 2]" 1
207 1 27 THR H 1 30 ASP H 1.800 . 4.000 3.930 3.604 4.032 0.032 4 0 "[ . 1 . 2]" 1
208 1 27 THR H 1 28 VAL HA 1.800 . 6.000 5.363 5.116 5.668 . 0 0 "[ . 1 . 2]" 1
209 1 27 THR H 1 71 ALA MB 1.800 . 5.000 3.867 3.134 4.265 . 0 0 "[ . 1 . 2]" 1
210 1 28 VAL H 1 28 VAL HB 1.800 . 4.000 2.907 2.535 3.634 . 0 0 "[ . 1 . 2]" 1
211 1 28 VAL H 1 28 VAL QG 1.800 . 6.000 2.097 1.833 2.308 . 0 0 "[ . 1 . 2]" 1
212 1 27 THR HA 1 28 VAL H 1.800 . 3.000 2.521 2.422 2.645 . 0 0 "[ . 1 . 2]" 1
213 1 27 THR HB 1 28 VAL H 1.800 . 3.000 2.629 2.331 3.004 0.004 16 0 "[ . 1 . 2]" 1
214 1 28 VAL H 1 29 GLY HA3 1.800 . 5.500 4.769 4.716 4.839 . 0 0 "[ . 1 . 2]" 1
215 1 28 VAL H 1 29 GLY HA2 1.800 . 5.000 5.099 5.060 5.128 0.128 11 0 "[ . 1 . 2]" 1
216 1 28 VAL H 1 29 GLY H 1.800 . 3.000 2.449 2.404 2.510 . 0 0 "[ . 1 . 2]" 1
217 1 28 VAL H 1 71 ALA HA 1.800 . 4.500 3.303 2.478 4.098 . 0 0 "[ . 1 . 2]" 1
218 1 28 VAL H 1 71 ALA MB 1.800 . 4.000 3.130 2.284 3.864 . 0 0 "[ . 1 . 2]" 1
219 1 27 THR HA 1 29 GLY H 1.800 . 5.000 4.439 4.130 4.753 . 0 0 "[ . 1 . 2]" 1
220 1 27 THR HB 1 29 GLY H 1.800 . 3.500 2.573 2.211 2.982 . 0 0 "[ . 1 . 2]" 1
221 1 28 VAL HA 1 29 GLY H 1.800 . 4.000 3.524 3.459 3.561 . 0 0 "[ . 1 . 2]" 1
222 1 28 VAL HB 1 29 GLY H 1.800 . 4.000 2.979 2.379 3.720 . 0 0 "[ . 1 . 2]" 1
223 1 28 VAL QG 1 29 GLY H 1.800 . 4.000 2.908 1.852 3.450 . 0 0 "[ . 1 . 2]" 1
224 1 29 GLY H 1 30 ASP H 1.800 . 3.000 2.357 2.273 2.451 . 0 0 "[ . 1 . 2]" 1
225 1 29 GLY H 1 30 ASP HB3 1.800 . 4.500 4.531 4.512 4.557 0.057 18 0 "[ . 1 . 2]" 1
226 1 29 GLY H 1 32 LEU HB3 1.800 . 5.500 5.059 4.649 5.485 . 0 0 "[ . 1 . 2]" 1
227 1 29 GLY H 1 32 LEU HB2 1.800 . 5.500 4.848 4.533 5.091 . 0 0 "[ . 1 . 2]" 1
228 1 29 GLY H 1 68 LEU H 1.800 . 5.000 4.610 4.061 5.042 0.042 15 0 "[ . 1 . 2]" 1
229 1 29 GLY H 1 68 LEU HB3 1.800 . 4.500 4.502 4.148 4.593 0.093 16 0 "[ . 1 . 2]" 1
230 1 29 GLY H 1 68 LEU HB2 1.800 . 5.000 4.190 2.621 5.041 0.041 9 0 "[ . 1 . 2]" 1
231 1 29 GLY H 1 68 LEU QD 1.800 . 4.500 3.025 2.258 3.670 . 0 0 "[ . 1 . 2]" 1
232 1 30 ASP H 1 30 ASP HB3 1.800 . 3.500 2.471 2.364 2.545 . 0 0 "[ . 1 . 2]" 1
233 1 30 ASP H 1 30 ASP HB2 1.800 . 3.500 2.568 2.500 2.657 . 0 0 "[ . 1 . 2]" 1
234 1 27 THR HA 1 30 ASP H 1.800 . 4.500 4.528 4.476 4.552 0.052 9 0 "[ . 1 . 2]" 1
235 1 27 THR MG 1 30 ASP H 1.800 . 4.500 3.712 3.132 4.047 . 0 0 "[ . 1 . 2]" 1
236 1 28 VAL QG 1 30 ASP H 1.800 . 6.000 4.412 3.825 4.742 . 0 0 "[ . 1 . 2]" 1
237 1 29 GLY HA3 1 30 ASP H 1.800 . 4.000 2.956 2.870 3.043 . 0 0 "[ . 1 . 2]" 1
238 1 29 GLY HA2 1 30 ASP H 1.800 . 4.000 3.496 3.467 3.523 . 0 0 "[ . 1 . 2]" 1
239 1 30 ASP H 1 31 ALA H 1.800 . 3.000 2.762 2.645 2.875 . 0 0 "[ . 1 . 2]" 1
240 1 28 VAL HA 1 30 ASP H 1.800 . 5.000 4.429 4.219 4.620 . 0 0 "[ . 1 . 2]" 1
241 1 30 ASP H 1 33 ASP H 1.800 . 5.000 4.987 4.897 5.048 0.048 3 0 "[ . 1 . 2]" 1
242 1 27 THR HB 1 30 ASP H 1.800 . 3.000 2.121 1.879 2.460 . 0 0 "[ . 1 . 2]" 1
243 1 30 ASP H 1 68 LEU QD 1.800 . 3.500 3.451 3.162 3.507 0.007 3 0 "[ . 1 . 2]" 1
244 1 31 ALA H 1 31 ALA MB 1.800 . 3.500 2.216 2.150 2.314 . 0 0 "[ . 1 . 2]" 1
245 1 28 VAL HA 1 31 ALA H 1.800 . 4.500 4.050 3.740 4.217 . 0 0 "[ . 1 . 2]" 1
246 1 29 GLY HA2 1 31 ALA H 1.800 . 5.000 4.231 4.023 4.416 . 0 0 "[ . 1 . 2]" 1
247 1 29 GLY H 1 31 ALA H 1.800 . 4.500 4.224 4.024 4.469 . 0 0 "[ . 1 . 2]" 1
248 1 30 ASP HB3 1 31 ALA H 1.800 . 4.000 2.618 2.467 2.781 . 0 0 "[ . 1 . 2]" 1
249 1 30 ASP HB2 1 31 ALA H 1.800 . 4.000 3.931 3.825 4.013 0.013 15 0 "[ . 1 . 2]" 1
250 1 31 ALA H 1 32 LEU HB3 1.800 . 5.000 4.751 4.411 5.031 0.031 14 0 "[ . 1 . 2]" 1
251 1 31 ALA H 1 32 LEU H 1.800 . 3.000 2.345 2.223 2.443 . 0 0 "[ . 1 . 2]" 1
252 1 29 GLY HA3 1 31 ALA H 1.800 . 5.000 4.786 4.636 4.917 . 0 0 "[ . 1 . 2]" 1
253 1 31 ALA H 1 32 LEU HA 1.800 . 5.000 4.967 4.864 5.045 0.045 10 0 "[ . 1 . 2]" 1
254 1 31 ALA H 1 32 LEU HB2 1.800 . 6.000 4.487 4.172 4.787 . 0 0 "[ . 1 . 2]" 1
255 1 31 ALA H 1 32 LEU QD 1.800 . 6.000 5.263 4.983 5.397 . 0 0 "[ . 1 . 2]" 1
256 1 31 ALA H 1 35 LEU MD1 1.800 . 6.000 5.353 4.774 6.077 0.077 20 0 "[ . 1 . 2]" 1
257 1 31 ALA H 1 35 LEU MD2 1.800 . 6.000 5.884 4.280 6.053 0.053 3 0 "[ . 1 . 2]" 1
258 1 32 LEU H 1 32 LEU HB3 1.800 . 3.500 2.674 2.396 2.962 . 0 0 "[ . 1 . 2]" 1
259 1 32 LEU H 1 32 LEU HB2 1.800 . 3.500 2.385 2.131 2.642 . 0 0 "[ . 1 . 2]" 1
260 1 32 LEU H 1 32 LEU MD1 1.800 . 6.000 4.046 3.610 4.248 . 0 0 "[ . 1 . 2]" 1
261 1 32 LEU H 1 32 LEU MD2 1.800 . 6.000 4.262 4.112 4.427 . 0 0 "[ . 1 . 2]" 1
262 1 28 VAL HA 1 32 LEU H 1.800 . 5.000 4.465 4.251 4.778 . 0 0 "[ . 1 . 2]" 1
263 1 29 GLY HA2 1 32 LEU H 1.800 . 5.000 3.091 2.917 3.264 . 0 0 "[ . 1 . 2]" 1
264 1 29 GLY H 1 32 LEU H 1.800 . 5.000 4.590 4.381 4.759 . 0 0 "[ . 1 . 2]" 1
265 1 30 ASP H 1 32 LEU H 1.800 . 4.000 3.912 3.808 4.024 0.024 9 0 "[ . 1 . 2]" 1
266 1 31 ALA MB 1 32 LEU H 1.800 . 4.000 2.820 2.633 2.937 . 0 0 "[ . 1 . 2]" 1
267 1 32 LEU H 1 33 ASP HA 1.800 . 5.500 5.408 5.314 5.484 . 0 0 "[ . 1 . 2]" 1
268 1 32 LEU H 1 33 ASP HB3 1.800 . 5.000 5.021 4.995 5.080 0.080 8 0 "[ . 1 . 2]" 1
269 1 32 LEU H 1 33 ASP H 1.800 . 4.000 2.862 2.753 2.961 . 0 0 "[ . 1 . 2]" 1
270 1 32 LEU H 1 34 ALA H 1.800 . 4.500 3.937 3.712 4.118 . 0 0 "[ . 1 . 2]" 1
271 1 30 ASP HB2 1 32 LEU H 1.800 . 6.000 5.722 5.562 5.886 . 0 0 "[ . 1 . 2]" 1
272 1 32 LEU H 1 35 LEU QD 1.800 . 6.000 4.399 3.032 4.882 . 0 0 "[ . 1 . 2]" 1
273 1 3 TRP HE3 1 32 LEU H 1.800 . 6.000 5.740 5.367 6.013 0.013 9 0 "[ . 1 . 2]" 1
274 1 33 ASP H 1 33 ASP HB3 1.800 . 3.500 2.451 2.268 2.713 . 0 0 "[ . 1 . 2]" 1
275 1 33 ASP H 1 33 ASP HB2 1.800 . 3.500 2.942 2.347 3.570 0.070 3 0 "[ . 1 . 2]" 1
276 1 29 GLY HA2 1 33 ASP H 1.800 . 5.000 3.573 3.275 3.854 . 0 0 "[ . 1 . 2]" 1
277 1 31 ALA HA 1 33 ASP H 1.800 . 6.000 4.741 4.439 4.949 . 0 0 "[ . 1 . 2]" 1
278 1 32 LEU HA 1 33 ASP H 1.800 . 4.000 3.574 3.554 3.588 . 0 0 "[ . 1 . 2]" 1
279 1 32 LEU HB3 1 33 ASP H 1.800 . 4.000 2.213 2.080 2.419 . 0 0 "[ . 1 . 2]" 1
280 1 32 LEU MD1 1 33 ASP H 1.800 . 6.000 4.533 4.299 4.723 . 0 0 "[ . 1 . 2]" 1
281 1 32 LEU MD2 1 33 ASP H 1.800 . 6.000 3.210 2.734 3.776 . 0 0 "[ . 1 . 2]" 1
282 1 33 ASP H 1 34 ALA H 1.800 . 3.000 2.687 2.584 2.789 . 0 0 "[ . 1 . 2]" 1
283 1 32 LEU HB2 1 33 ASP H 1.800 . 4.000 3.554 3.262 3.835 . 0 0 "[ . 1 . 2]" 1
284 1 31 ALA H 1 33 ASP H 1.800 . 5.000 4.435 4.147 4.618 . 0 0 "[ . 1 . 2]" 1
285 1 34 ALA H 1 34 ALA MB 1.800 . 3.500 2.185 2.096 2.253 . 0 0 "[ . 1 . 2]" 1
286 1 33 ASP HA 1 34 ALA H 1.800 . 4.000 3.526 3.494 3.559 . 0 0 "[ . 1 . 2]" 1
287 1 33 ASP HB3 1 34 ALA H 1.800 . 4.000 3.170 2.535 3.924 . 0 0 "[ . 1 . 2]" 1
288 1 33 ASP HB2 1 34 ALA H 1.800 . 4.000 3.969 3.704 4.085 0.085 11 0 "[ . 1 . 2]" 1
289 1 34 ALA H 1 35 LEU HA 1.800 . 6.000 5.327 5.202 5.460 . 0 0 "[ . 1 . 2]" 1
290 1 34 ALA H 1 35 LEU QB 1.800 . 5.000 4.572 4.291 5.036 0.036 20 0 "[ . 1 . 2]" 1
291 1 34 ALA H 1 35 LEU H 1.800 . 3.000 2.741 2.570 2.912 . 0 0 "[ . 1 . 2]" 1
292 1 34 ALA H 1 36 VAL HB 1.800 . 6.000 4.967 4.737 5.306 . 0 0 "[ . 1 . 2]" 1
293 1 34 ALA H 1 36 VAL QG 1.800 . 6.000 4.706 4.479 4.846 . 0 0 "[ . 1 . 2]" 1
294 1 31 ALA H 1 34 ALA H 1.800 . 5.000 4.717 4.590 5.006 0.006 3 0 "[ . 1 . 2]" 1
295 1 31 ALA HA 1 34 ALA H 1.800 . 5.500 3.387 3.205 3.511 . 0 0 "[ . 1 . 2]" 1
296 1 35 LEU H 1 35 LEU QB 1.800 . 3.500 2.263 2.125 2.714 . 0 0 "[ . 1 . 2]" 1
297 1 35 LEU H 1 35 LEU MD1 1.800 . 6.000 2.624 2.061 3.899 . 0 0 "[ . 1 . 2]" 1
298 1 35 LEU H 1 35 LEU MD2 1.800 . 6.000 3.551 2.604 4.049 . 0 0 "[ . 1 . 2]" 1
299 1 34 ALA HA 1 35 LEU H 1.800 . 4.000 3.566 3.550 3.579 . 0 0 "[ . 1 . 2]" 1
300 1 34 ALA MB 1 35 LEU H 1.800 . 3.000 2.388 2.273 2.617 . 0 0 "[ . 1 . 2]" 1
301 1 35 LEU H 1 36 VAL HB 1.800 . 5.500 4.885 4.701 5.098 . 0 0 "[ . 1 . 2]" 1
302 1 35 LEU H 1 36 VAL QG 1.800 . 5.000 4.111 3.957 4.312 . 0 0 "[ . 1 . 2]" 1
303 1 31 ALA HA 1 35 LEU H 1.800 . 4.000 3.628 3.451 3.789 . 0 0 "[ . 1 . 2]" 1
304 1 33 ASP H 1 35 LEU H 1.800 . 4.500 4.469 4.296 4.518 0.018 13 0 "[ . 1 . 2]" 1
305 1 31 ALA H 1 35 LEU H 1.800 . 6.000 5.737 5.595 5.871 . 0 0 "[ . 1 . 2]" 1
306 1 31 ALA MB 1 35 LEU H 1.800 . 5.500 4.098 3.939 4.250 . 0 0 "[ . 1 . 2]" 1
307 1 36 VAL H 1 36 VAL HB 1.800 . 3.500 2.477 2.361 2.584 . 0 0 "[ . 1 . 2]" 1
308 1 36 VAL H 1 36 VAL QG 1.800 . 3.500 2.418 2.237 2.552 . 0 0 "[ . 1 . 2]" 1
309 1 33 ASP HA 1 36 VAL H 1.800 . 4.000 3.469 3.255 3.669 . 0 0 "[ . 1 . 2]" 1
310 1 34 ALA HA 1 36 VAL H 1.800 . 4.500 4.160 3.933 4.449 . 0 0 "[ . 1 . 2]" 1
311 1 35 LEU QB 1 36 VAL H 1.800 . 4.000 2.964 2.787 3.633 . 0 0 "[ . 1 . 2]" 1
312 1 35 LEU MD2 1 36 VAL H 1.800 . 6.000 4.785 4.243 5.109 . 0 0 "[ . 1 . 2]" 1
313 1 35 LEU H 1 36 VAL H 1.800 . 3.500 2.632 2.561 2.704 . 0 0 "[ . 1 . 2]" 1
314 1 31 ALA HA 1 36 VAL H 1.800 . 6.000 6.023 5.897 6.070 0.070 18 0 "[ . 1 . 2]" 1
315 1 32 LEU HA 1 36 VAL H 1.800 . 5.000 4.208 3.690 4.532 . 0 0 "[ . 1 . 2]" 1
316 1 32 LEU H 1 36 VAL H 1.800 . 6.000 5.920 5.628 6.037 0.037 14 0 "[ . 1 . 2]" 1
317 1 33 ASP HA 1 37 GLY H 1.800 . 4.000 3.701 3.382 4.011 0.011 2 0 "[ . 1 . 2]" 1
318 1 34 ALA HA 1 37 GLY H 1.800 . 4.000 3.661 3.282 3.968 . 0 0 "[ . 1 . 2]" 1
319 1 36 VAL HB 1 37 GLY H 1.800 . 3.000 2.548 2.397 2.782 . 0 0 "[ . 1 . 2]" 1
320 1 36 VAL QG 1 37 GLY H 1.800 . 4.500 3.084 2.876 3.350 . 0 0 "[ . 1 . 2]" 1
321 1 37 GLY H 1 38 ALA H 1.800 . 5.000 2.241 1.839 2.773 . 0 0 "[ . 1 . 2]" 1
322 1 37 GLY H 1 39 HIS H 1.800 . 5.500 4.134 3.352 5.239 . 0 0 "[ . 1 . 2]" 1
323 1 35 LEU H 1 37 GLY H 1.800 . 4.500 4.421 4.013 4.530 0.030 16 0 "[ . 1 . 2]" 1
324 1 33 ASP HB2 1 37 GLY H 1.800 . 5.500 5.362 4.912 5.577 0.077 8 0 "[ . 1 . 2]" 1
325 1 34 ALA H 1 37 GLY H 1.800 . 5.000 4.634 4.278 4.976 . 0 0 "[ . 1 . 2]" 1
326 1 35 LEU HA 1 37 GLY H 1.800 . 5.500 4.760 4.497 4.919 . 0 0 "[ . 1 . 2]" 1
327 1 38 ALA H 1 38 ALA MB 1.800 . 3.500 2.223 2.037 2.328 . 0 0 "[ . 1 . 2]" 1
328 1 36 VAL QG 1 38 ALA H 1.800 . 4.500 4.455 4.196 4.595 0.095 13 0 "[ . 1 . 2]" 1
329 1 37 GLY HA3 1 38 ALA H 1.800 . 3.500 3.167 2.817 3.561 0.061 3 0 "[ . 1 . 2]" 1
330 1 37 GLY HA2 1 38 ALA H 1.800 . 3.500 3.251 2.640 3.535 0.035 17 0 "[ . 1 . 2]" 1
331 1 38 ALA H 1 39 HIS H 1.800 . 3.000 2.567 2.114 2.864 . 0 0 "[ . 1 . 2]" 1
332 1 35 LEU H 1 38 ALA H 1.800 . 5.000 4.871 4.510 5.032 0.032 11 0 "[ . 1 . 2]" 1
333 1 39 HIS H 1 43 GLU H 1.800 . 6.000 5.903 5.259 6.106 0.106 9 0 "[ . 1 . 2]" 1
334 1 38 ALA HA 1 39 HIS H 1.800 . 4.000 3.430 3.287 3.581 . 0 0 "[ . 1 . 2]" 1
335 1 38 ALA MB 1 39 HIS H 1.800 . 5.000 2.874 2.107 3.361 . 0 0 "[ . 1 . 2]" 1
336 1 39 HIS H 1 40 PRO HB2 1.800 . 6.000 5.709 4.407 6.100 0.100 14 0 "[ . 1 . 2]" 1
337 1 39 HIS H 1 39 HIS HB3 1.800 . 4.000 3.715 3.025 4.155 0.155 11 0 "[ . 1 . 2]" 1
338 1 39 HIS H 1 39 HIS HB2 1.800 . 4.000 2.989 2.454 3.727 . 0 0 "[ . 1 . 2]" 1
339 1 39 HIS H 1 40 PRO HA 1.800 . 5.500 4.792 4.389 5.516 0.016 10 0 "[ . 1 . 2]" 1
340 1 41 ALA H 1 41 ALA MB 1.800 . 3.500 2.152 2.072 2.247 . 0 0 "[ . 1 . 2]" 1
341 1 40 PRO HA 1 41 ALA H 1.800 . 4.000 3.492 3.460 3.525 . 0 0 "[ . 1 . 2]" 1
342 1 40 PRO HB3 1 41 ALA H 1.800 . 5.000 4.240 4.076 4.337 . 0 0 "[ . 1 . 2]" 1
343 1 40 PRO HB2 1 41 ALA H 1.800 . 5.000 3.095 2.784 3.375 . 0 0 "[ . 1 . 2]" 1
344 1 41 ALA H 1 42 LEU QB 1.800 . 6.000 5.224 5.033 5.412 . 0 0 "[ . 1 . 2]" 1
345 1 41 ALA H 1 42 LEU H 1.800 . 3.000 2.734 2.570 2.882 . 0 0 "[ . 1 . 2]" 1
346 1 41 ALA H 1 43 GLU H 1.800 . 4.500 3.926 3.618 4.127 . 0 0 "[ . 1 . 2]" 1
347 1 39 HIS HA 1 41 ALA H 1.800 . 4.000 3.445 3.032 4.053 0.053 1 0 "[ . 1 . 2]" 1
348 1 39 HIS HB3 1 41 ALA H 1.800 . 5.000 4.140 3.463 5.074 0.074 11 0 "[ . 1 . 2]" 1
349 1 39 HIS HB2 1 41 ALA H 1.800 . 5.000 4.907 4.635 5.109 0.109 12 0 "[ . 1 . 2]" 1
350 1 42 LEU H 1 42 LEU QB 1.800 . 3.500 2.928 2.650 3.222 . 0 0 "[ . 1 . 2]" 1
351 1 42 LEU H 1 42 LEU QD 1.800 . 6.000 2.321 1.987 2.898 . 0 0 "[ . 1 . 2]" 1
352 1 40 PRO HA 1 42 LEU H 1.800 . 4.000 3.824 3.567 4.047 0.047 12 0 "[ . 1 . 2]" 1
353 1 41 ALA HA 1 42 LEU H 1.800 . 4.000 3.509 3.481 3.560 . 0 0 "[ . 1 . 2]" 1
354 1 42 LEU H 1 43 GLU H 1.800 . 3.500 2.195 1.995 2.376 . 0 0 "[ . 1 . 2]" 1
355 1 9 LEU HA 1 42 LEU H 1.800 . 5.500 5.166 3.862 5.594 0.094 5 0 "[ . 1 . 2]" 1
356 1 39 HIS HA 1 42 LEU H 1.800 . 5.500 4.338 3.543 5.025 . 0 0 "[ . 1 . 2]" 1
357 1 39 HIS HB3 1 42 LEU H 1.800 . 5.500 3.895 2.868 5.101 . 0 0 "[ . 1 . 2]" 1
358 1 39 HIS HB2 1 42 LEU H 1.800 . 5.500 5.038 3.909 5.649 0.149 3 0 "[ . 1 . 2]" 1
359 1 40 PRO HA 1 43 GLU H 1.800 . 3.000 2.881 2.787 3.009 0.009 14 0 "[ . 1 . 2]" 1
360 1 41 ALA HA 1 43 GLU H 1.800 . 5.000 4.327 4.133 4.518 . 0 0 "[ . 1 . 2]" 1
361 1 42 LEU HA 1 43 GLU H 1.800 . 4.000 3.250 2.956 3.468 . 0 0 "[ . 1 . 2]" 1
362 1 12 VAL HA 1 43 GLU H 1.800 . 6.500 6.543 6.461 6.616 0.116 13 0 "[ . 1 . 2]" 1
363 1 12 VAL QG 1 43 GLU H 1.800 . 6.000 3.248 2.953 3.512 . 0 0 "[ . 1 . 2]" 1
364 1 40 PRO HB3 1 43 GLU H 1.800 . 5.000 4.783 4.464 5.070 0.070 1 0 "[ . 1 . 2]" 1
365 1 40 PRO HB2 1 43 GLU H 1.800 . 5.000 4.920 4.785 5.074 0.074 7 0 "[ . 1 . 2]" 1
366 1 42 LEU QD 1 43 GLU H 1.800 . 4.000 3.571 2.443 3.941 . 0 0 "[ . 1 . 2]" 1
367 1 42 LEU QB 1 43 GLU H 1.800 . 4.500 3.613 2.975 4.059 . 0 0 "[ . 1 . 2]" 1
368 1 45 ARG H 1 47 PHE H 1.800 . 6.000 5.513 4.178 6.049 0.049 6 0 "[ . 1 . 2]" 1
369 1 45 ARG H 1 46 VAL MG1 1.800 . 6.000 5.256 3.837 6.017 0.017 16 0 "[ . 1 . 2]" 1
370 1 46 VAL H 1 46 VAL HB 1.800 . 3.500 3.076 2.626 3.592 0.092 1 0 "[ . 1 . 2]" 1
371 1 46 VAL H 1 46 VAL MG1 1.800 . 6.000 3.350 2.287 4.019 . 0 0 "[ . 1 . 2]" 1
372 1 46 VAL H 1 46 VAL MG2 1.800 . 6.000 2.840 1.933 4.043 . 0 0 "[ . 1 . 2]" 1
373 1 45 ARG HA 1 46 VAL H 1.800 . 3.000 2.306 2.144 2.918 . 0 0 "[ . 1 . 2]" 1
374 1 45 ARG HB3 1 46 VAL H 1.800 . 5.000 3.796 2.474 4.490 . 0 0 "[ . 1 . 2]" 1
375 1 45 ARG HB2 1 46 VAL H 1.800 . 5.000 4.041 2.232 4.651 . 0 0 "[ . 1 . 2]" 1
376 1 46 VAL H 1 47 PHE H 1.800 . 3.500 2.640 1.952 3.519 0.019 11 0 "[ . 1 . 2]" 1
377 1 47 PHE H 1 47 PHE QB 1.800 . 3.500 2.910 2.435 3.282 . 0 0 "[ . 1 . 2]" 1
378 1 46 VAL HA 1 47 PHE H 1.800 . 4.000 3.136 2.268 3.591 . 0 0 "[ . 1 . 2]" 1
379 1 46 VAL HB 1 47 PHE H 1.800 . 4.500 3.646 1.932 4.584 0.084 3 0 "[ . 1 . 2]" 1
380 1 46 VAL MG1 1 47 PHE H 1.800 . 5.000 3.505 1.933 4.483 . 0 0 "[ . 1 . 2]" 1
381 1 46 VAL MG2 1 47 PHE H 1.800 . 5.000 3.737 1.972 4.352 . 0 0 "[ . 1 . 2]" 1
382 1 47 PHE H 1 49 ASP HA 1.800 . 5.000 4.951 4.651 5.061 0.061 19 0 "[ . 1 . 2]" 1
383 1 47 PHE HA 1 48 GLY H 1.800 . 6.000 2.991 2.157 3.587 . 0 0 "[ . 1 . 2]" 1
384 1 47 PHE QB 1 48 GLY H 1.800 . 6.000 3.017 1.952 4.046 . 0 0 "[ . 1 . 2]" 1
385 1 48 GLY H 1 49 ASP HA 1.800 . 5.500 4.887 3.996 5.392 . 0 0 "[ . 1 . 2]" 1
386 1 49 ASP H 1 49 ASP QB 1.800 . 3.500 2.662 2.074 3.429 . 0 0 "[ . 1 . 2]" 1
387 1 48 GLY HA3 1 49 ASP H 1.800 . 4.000 3.132 2.215 3.579 . 0 0 "[ . 1 . 2]" 1
388 1 48 GLY HA2 1 49 ASP H 1.800 . 4.000 2.939 2.204 3.563 . 0 0 "[ . 1 . 2]" 1
389 1 49 ASP HA 1 50 ASP H 1.800 . 4.000 2.873 2.151 3.589 . 0 0 "[ . 1 . 2]" 1
390 1 49 ASP QB 1 50 ASP H 1.800 . 3.000 2.585 2.013 3.041 0.041 20 0 "[ . 1 . 2]" 1
391 1 50 ASP HA 1 51 GLY H 1.800 . 4.000 3.323 2.914 3.509 . 0 0 "[ . 1 . 2]" 1
392 1 50 ASP QB 1 51 GLY H 1.800 . 4.000 3.187 2.846 3.831 . 0 0 "[ . 1 . 2]" 1
393 1 51 GLY H 1 52 GLU QB 1.800 . 6.000 4.814 3.621 5.972 . 0 0 "[ . 1 . 2]" 1
394 1 53 LEU H 1 53 LEU QB 1.800 . 4.000 2.645 2.173 3.460 . 0 0 "[ . 1 . 2]" 1
395 1 52 GLU HA 1 53 LEU H 1.800 . 3.000 2.337 2.129 2.966 . 0 0 "[ . 1 . 2]" 1
396 1 52 GLU QB 1 53 LEU H 1.800 . 4.500 3.484 1.989 4.019 . 0 0 "[ . 1 . 2]" 1
397 1 56 HIS HA 1 57 ILE H 1.800 . 3.000 2.199 2.140 2.365 . 0 0 "[ . 1 . 2]" 1
398 1 56 HIS HB3 1 57 ILE H 1.800 . 4.500 3.632 2.621 4.390 . 0 0 "[ . 1 . 2]" 1
399 1 57 ILE H 1 58 ASN QB 1.800 . 5.500 5.315 3.926 5.536 0.036 9 0 "[ . 1 . 2]" 1
400 1 57 ILE H 1 58 ASN HA 1.800 . 4.500 4.506 4.130 4.571 0.071 17 0 "[ . 1 . 2]" 1
401 1 58 ASN H 1 58 ASN QB 1.800 . 3.500 2.291 2.108 3.087 . 0 0 "[ . 1 . 2]" 1
402 1 57 ILE HA 1 58 ASN H 1.800 . 4.000 2.250 2.146 3.570 . 0 0 "[ . 1 . 2]" 1
403 1 57 ILE HB 1 58 ASN H 1.800 . 4.000 3.543 2.402 4.029 0.029 20 0 "[ . 1 . 2]" 1
404 1 59 VAL H 1 59 VAL HB 1.800 . 3.500 3.273 3.190 3.596 0.096 8 0 "[ . 1 . 2]" 1
405 1 59 VAL H 1 60 LEU QB 1.800 . 5.500 5.410 5.212 5.514 0.014 17 0 "[ . 1 . 2]" 1
406 1 59 VAL H 1 60 LEU QD 1.800 . 5.000 4.745 3.784 5.028 0.028 6 0 "[ . 1 . 2]" 1
407 1 58 ASN QB 1 59 VAL H 1.800 . 3.000 2.878 1.971 3.033 0.033 3 0 "[ . 1 . 2]" 1
408 1 58 ASN HA 1 59 VAL H 1.800 . 3.000 2.313 2.173 2.778 . 0 0 "[ . 1 . 2]" 1
409 1 60 LEU H 1 60 LEU QB 1.800 . 4.000 2.399 2.221 2.581 . 0 0 "[ . 1 . 2]" 1
410 1 59 VAL H 1 60 LEU H 1.800 . 5.000 4.419 4.340 4.583 . 0 0 "[ . 1 . 2]" 1
411 1 59 VAL HB 1 60 LEU H 1.800 . 4.500 3.857 2.623 4.106 . 0 0 "[ . 1 . 2]" 1
412 1 59 VAL HA 1 60 LEU H 1.800 . 3.000 2.279 2.210 2.343 . 0 0 "[ . 1 . 2]" 1
413 1 60 LEU H 1 79 ALA MB 1.800 . 4.000 3.716 3.249 3.967 . 0 0 "[ . 1 . 2]" 1
414 1 60 LEU H 1 79 ALA H 1.800 . 3.500 2.913 2.751 3.033 . 0 0 "[ . 1 . 2]" 1
415 1 60 LEU H 1 78 LEU H 1.800 . 4.000 4.009 3.899 4.044 0.044 18 0 "[ . 1 . 2]" 1
416 1 60 LEU H 1 79 ALA HA 1.800 . 5.000 4.744 4.518 4.960 . 0 0 "[ . 1 . 2]" 1
417 1 60 LEU H 1 78 LEU QB 1.800 . 6.000 4.338 4.049 4.595 . 0 0 "[ . 1 . 2]" 1
418 1 60 LEU H 1 80 LEU HA 1.800 . 4.000 3.273 3.116 3.673 . 0 0 "[ . 1 . 2]" 1
419 1 61 ARG H 1 61 ARG HB3 1.800 . 4.000 3.288 2.840 3.805 . 0 0 "[ . 1 . 2]" 1
420 1 61 ARG H 1 61 ARG HB2 1.800 . 4.000 2.965 2.399 3.853 . 0 0 "[ . 1 . 2]" 1
421 1 60 LEU HA 1 61 ARG H 1.800 . 3.000 2.161 2.135 2.268 . 0 0 "[ . 1 . 2]" 1
422 1 60 LEU QD 1 61 ARG H 1.800 . 4.000 2.530 1.960 3.971 . 0 0 "[ . 1 . 2]" 1
423 1 61 ARG H 1 78 LEU QD 1.800 . 5.000 4.598 3.930 5.007 0.007 4 0 "[ . 1 . 2]" 1
424 1 62 ASN H 1 62 ASN QB 1.800 . 3.500 2.454 2.068 3.164 . 0 0 "[ . 1 . 2]" 1
425 1 61 ARG HA 1 62 ASN H 1.800 . 3.000 2.254 2.231 2.302 . 0 0 "[ . 1 . 2]" 1
426 1 61 ARG QG 1 62 ASN H 1.800 . 4.000 3.600 2.212 4.015 0.015 13 0 "[ . 1 . 2]" 1
427 1 62 ASN H 1 63 GLY H 1.800 . 3.000 2.716 2.534 2.857 . 0 0 "[ . 1 . 2]" 1
428 1 62 ASN H 1 64 GLU H 1.800 . 4.500 3.940 3.316 4.326 . 0 0 "[ . 1 . 2]" 1
429 1 62 ASN HA 1 63 GLY H 1.800 . 4.500 3.338 3.091 3.533 . 0 0 "[ . 1 . 2]" 1
430 1 62 ASN QB 1 63 GLY H 1.800 . 4.500 3.350 2.757 4.042 . 0 0 "[ . 1 . 2]" 1
431 1 63 GLY H 1 64 GLU HA 1.800 . 5.000 4.832 4.761 5.038 0.038 16 0 "[ . 1 . 2]" 1
432 1 63 GLY H 1 64 GLU HB3 1.800 . 5.000 4.909 4.713 5.058 0.058 16 0 "[ . 1 . 2]" 1
433 1 63 GLY H 1 64 GLU H 1.800 . 3.000 2.100 2.002 2.356 . 0 0 "[ . 1 . 2]" 1
434 1 64 GLU H 1 64 GLU HB2 1.800 . 3.500 2.615 2.318 3.566 0.066 4 0 "[ . 1 . 2]" 1
435 1 64 GLU H 1 64 GLU HG3 1.800 . 6.000 4.413 2.069 4.850 . 0 0 "[ . 1 . 2]" 1
436 1 63 GLY HA3 1 64 GLU H 1.800 . 4.000 3.474 3.448 3.480 . 0 0 "[ . 1 . 2]" 1
437 1 63 GLY HA2 1 64 GLU H 1.800 . 4.000 3.039 3.023 3.055 . 0 0 "[ . 1 . 2]" 1
438 1 64 GLU H 1 65 ALA H 1.800 . 4.500 4.501 4.411 4.545 0.045 2 0 "[ . 1 . 2]" 1
439 1 65 ALA H 1 65 ALA MB 1.800 . 3.500 2.195 2.051 2.333 . 0 0 "[ . 1 . 2]" 1
440 1 65 ALA H 1 66 ALA H 1.800 . 4.500 4.402 4.183 4.537 0.037 19 0 "[ . 1 . 2]" 1
441 1 64 GLU QB 1 65 ALA H 1.800 . 3.000 2.969 2.402 3.080 0.080 16 0 "[ . 1 . 2]" 1
442 1 66 ALA H 1 66 ALA MB 1.800 . 3.500 2.397 2.051 2.920 . 0 0 "[ . 1 . 2]" 1
443 1 65 ALA HA 1 66 ALA H 1.800 . 3.000 2.158 2.143 2.179 . 0 0 "[ . 1 . 2]" 1
444 1 68 LEU H 1 68 LEU HB3 1.800 . 3.500 3.095 2.615 3.528 0.028 9 0 "[ . 1 . 2]" 1
445 1 68 LEU H 1 68 LEU HB2 1.800 . 4.000 3.300 2.639 3.941 . 0 0 "[ . 1 . 2]" 1
446 1 67 ALA HA 1 68 LEU H 1.800 . 3.000 2.400 2.174 2.648 . 0 0 "[ . 1 . 2]" 1
447 1 68 LEU H 1 69 GLY H 1.800 . 4.000 2.267 1.925 2.743 . 0 0 "[ . 1 . 2]" 1
448 1 67 ALA MB 1 68 LEU H 1.800 . 3.500 2.505 2.029 3.052 . 0 0 "[ . 1 . 2]" 1
449 1 68 LEU H 1 69 GLY HA2 1.800 . 5.000 4.631 4.483 4.857 . 0 0 "[ . 1 . 2]" 1
450 1 68 LEU H 1 69 GLY HA3 1.800 . 5.000 4.433 3.929 4.744 . 0 0 "[ . 1 . 2]" 1
451 1 67 ALA HA 1 69 GLY H 1.800 . 5.000 4.408 4.045 4.607 . 0 0 "[ . 1 . 2]" 1
452 1 68 LEU HA 1 69 GLY H 1.800 . 4.000 3.517 3.044 3.587 . 0 0 "[ . 1 . 2]" 1
453 1 68 LEU HB3 1 69 GLY H 1.800 . 5.000 2.773 1.996 4.036 . 0 0 "[ . 1 . 2]" 1
454 1 68 LEU HB2 1 69 GLY H 1.800 . 5.000 3.623 2.834 4.587 . 0 0 "[ . 1 . 2]" 1
455 1 68 LEU MD1 1 69 GLY H 1.800 . 6.000 4.097 2.957 5.596 . 0 0 "[ . 1 . 2]" 1
456 1 68 LEU MD2 1 69 GLY H 1.800 . 6.000 3.562 2.329 4.552 . 0 0 "[ . 1 . 2]" 1
457 1 69 GLY H 1 70 GLU H 1.800 . 4.000 3.035 1.985 3.606 . 0 0 "[ . 1 . 2]" 1
458 1 70 GLU H 1 70 GLU QB 1.800 . 3.500 2.846 2.289 3.405 . 0 0 "[ . 1 . 2]" 1
459 1 27 THR MG 1 70 GLU H 1.800 . 3.000 2.295 1.933 2.813 . 0 0 "[ . 1 . 2]" 1
460 1 28 VAL MG2 1 70 GLU H 1.800 . 6.000 2.705 1.995 3.653 . 0 0 "[ . 1 . 2]" 1
461 1 28 VAL H 1 70 GLU H 1.800 . 4.000 2.975 2.272 3.382 . 0 0 "[ . 1 . 2]" 1
462 1 68 LEU HA 1 70 GLU H 1.800 . 4.500 3.948 3.530 4.389 . 0 0 "[ . 1 . 2]" 1
463 1 68 LEU H 1 70 GLU H 1.800 . 4.000 3.464 2.583 4.046 0.046 15 0 "[ . 1 . 2]" 1
464 1 69 GLY HA3 1 70 GLU H 1.800 . 4.000 3.525 3.414 3.580 . 0 0 "[ . 1 . 2]" 1
465 1 69 GLY HA2 1 70 GLU H 1.800 . 4.000 2.876 2.539 3.146 . 0 0 "[ . 1 . 2]" 1
466 1 70 GLU H 1 71 ALA H 1.800 . 4.500 3.204 2.351 3.662 . 0 0 "[ . 1 . 2]" 1
467 1 70 GLU H 1 71 ALA HA 1.800 . 5.000 4.263 4.133 4.515 . 0 0 "[ . 1 . 2]" 1
468 1 27 THR HA 1 70 GLU H 1.800 . 5.000 4.268 3.546 4.786 . 0 0 "[ . 1 . 2]" 1
469 1 27 THR HB 1 70 GLU H 1.800 . 4.500 4.153 3.637 4.525 0.025 16 0 "[ . 1 . 2]" 1
470 1 71 ALA H 1 71 ALA MB 1.800 . 3.500 2.145 2.035 2.245 . 0 0 "[ . 1 . 2]" 1
471 1 71 ALA H 1 73 ALA H 1.800 . 5.500 4.566 4.075 4.839 . 0 0 "[ . 1 . 2]" 1
472 1 28 VAL H 1 71 ALA H 1.800 . 3.500 3.507 3.429 3.543 0.043 8 0 "[ . 1 . 2]" 1
473 1 27 THR HB 1 71 ALA H 1.800 . 5.000 4.655 4.351 4.967 . 0 0 "[ . 1 . 2]" 1
474 1 27 THR HA 1 71 ALA H 1.800 . 3.000 2.775 2.165 3.040 0.040 1 0 "[ . 1 . 2]" 1
475 1 28 VAL QG 1 71 ALA H 1.800 . 4.000 3.467 3.206 3.644 . 0 0 "[ . 1 . 2]" 1
476 1 27 THR MG 1 71 ALA H 1.800 . 3.000 2.251 2.029 2.640 . 0 0 "[ . 1 . 2]" 1
477 1 28 VAL HA 1 71 ALA H 1.800 . 6.000 5.825 5.127 6.026 0.026 17 0 "[ . 1 . 2]" 1
478 1 72 THR H 1 72 THR HB 1.800 . 3.500 3.097 2.565 3.517 0.017 8 0 "[ . 1 . 2]" 1
479 1 72 THR H 1 72 THR MG 1.800 . 3.500 2.604 1.997 3.205 . 0 0 "[ . 1 . 2]" 1
480 1 27 THR HA 1 72 THR H 1.800 . 5.500 5.096 4.760 5.323 . 0 0 "[ . 1 . 2]" 1
481 1 27 THR MG 1 72 THR H 1.800 . 5.500 4.493 4.224 4.778 . 0 0 "[ . 1 . 2]" 1
482 1 71 ALA MB 1 72 THR H 1.800 . 4.500 3.060 2.682 3.430 . 0 0 "[ . 1 . 2]" 1
483 1 72 THR H 1 73 ALA HA 1.800 . 5.000 4.917 4.776 5.054 0.054 13 0 "[ . 1 . 2]" 1
484 1 72 THR H 1 73 ALA H 1.800 . 3.000 2.813 2.350 3.034 0.034 3 0 "[ . 1 . 2]" 1
485 1 28 VAL H 1 72 THR H 1.800 . 6.000 5.698 5.312 6.022 0.022 5 0 "[ . 1 . 2]" 1
486 1 73 ALA H 1 73 ALA MB 1.800 . 3.500 2.246 2.106 2.533 . 0 0 "[ . 1 . 2]" 1
487 1 73 ALA H 1 74 ALA HA 1.800 . 6.000 5.584 5.097 6.052 0.052 16 0 "[ . 1 . 2]" 1
488 1 74 ALA H 1 75 GLY H 1.800 . 4.000 3.293 2.326 4.023 0.023 10 0 "[ . 1 . 2]" 1
489 1 75 GLY H 1 76 ASP H 1.800 . 4.500 4.182 2.572 4.545 0.045 16 0 "[ . 1 . 2]" 1
490 1 74 ALA HA 1 75 GLY H 1.800 . 4.000 2.996 2.234 3.594 . 0 0 "[ . 1 . 2]" 1
491 1 74 ALA MB 1 75 GLY H 1.800 . 4.500 3.172 2.140 3.734 . 0 0 "[ . 1 . 2]" 1
492 1 73 ALA HA 1 74 ALA H 1.800 . 3.000 2.483 2.150 2.685 . 0 0 "[ . 1 . 2]" 1
493 1 73 ALA MB 1 74 ALA H 1.800 . 3.000 2.346 1.994 3.017 0.017 16 0 "[ . 1 . 2]" 1
494 1 74 ALA H 1 74 ALA MB 1.800 . 3.500 2.330 2.071 2.934 . 0 0 "[ . 1 . 2]" 1
495 1 76 ASP H 1 76 ASP QB 1.800 . 3.500 2.495 2.098 3.109 . 0 0 "[ . 1 . 2]" 1
496 1 75 GLY HA3 1 76 ASP H 1.800 . 4.000 2.789 2.140 3.570 . 0 0 "[ . 1 . 2]" 1
497 1 75 GLY HA2 1 76 ASP H 1.800 . 4.000 2.465 2.139 3.224 . 0 0 "[ . 1 . 2]" 1
498 1 2 GLU HG3 1 76 ASP H 1.800 . 5.500 5.515 5.251 5.566 0.066 18 0 "[ . 1 . 2]" 1
499 1 76 ASP QB 1 77 GLU H 1.800 . 5.000 2.129 1.856 3.272 . 0 0 "[ . 1 . 2]" 1
500 1 76 ASP HA 1 77 GLU H 1.800 . 3.500 3.551 3.534 3.569 0.069 9 0 "[ . 1 . 2]" 1
501 1 2 GLU HA 1 77 GLU H 1.800 . 5.500 5.174 4.893 5.515 0.015 8 0 "[ . 1 . 2]" 1
502 1 78 LEU H 1 78 LEU QB 1.800 . 3.500 2.338 2.273 2.517 . 0 0 "[ . 1 . 2]" 1
503 1 78 LEU H 1 78 LEU MD1 1.800 . 6.000 4.167 3.750 4.388 . 0 0 "[ . 1 . 2]" 1
504 1 78 LEU H 1 78 LEU MD2 1.800 . 6.000 3.803 2.625 4.528 . 0 0 "[ . 1 . 2]" 1
505 1 77 GLU HA 1 78 LEU H 1.800 . 3.500 2.692 2.355 2.874 . 0 0 "[ . 1 . 2]" 1
506 1 77 GLU QB 1 78 LEU H 1.800 . 3.500 2.016 1.866 3.424 . 0 0 "[ . 1 . 2]" 1
507 1 77 GLU QG 1 78 LEU H 1.800 . 3.500 3.080 1.999 3.524 0.024 8 0 "[ . 1 . 2]" 1
508 1 78 LEU H 1 79 ALA H 1.800 . 4.500 2.140 2.019 2.272 . 0 0 "[ . 1 . 2]" 1
509 1 61 ARG H 1 78 LEU H 1.800 . 5.000 4.579 4.054 4.795 . 0 0 "[ . 1 . 2]" 1
510 1 60 LEU HA 1 78 LEU H 1.800 . 5.000 4.860 4.653 5.036 0.036 7 0 "[ . 1 . 2]" 1
511 1 61 ARG HA 1 78 LEU H 1.800 . 3.000 2.831 2.186 3.030 0.030 14 0 "[ . 1 . 2]" 1
512 1 4 LYS H 1 78 LEU H 1.800 . 6.000 5.820 5.527 6.014 0.014 20 0 "[ . 1 . 2]" 1
513 1 3 TRP HA 1 78 LEU H 1.800 . 5.500 4.939 4.097 5.393 . 0 0 "[ . 1 . 2]" 1
514 1 61 ARG HA 1 79 ALA H 1.800 . 5.000 4.554 4.173 4.787 . 0 0 "[ . 1 . 2]" 1
515 1 78 LEU HA 1 79 ALA H 1.800 . 4.000 3.553 3.509 3.576 . 0 0 "[ . 1 . 2]" 1
516 1 78 LEU QB 1 79 ALA H 1.800 . 3.000 2.551 2.275 2.827 . 0 0 "[ . 1 . 2]" 1
517 1 78 LEU MD1 1 79 ALA H 1.800 . 6.000 4.449 3.963 4.716 . 0 0 "[ . 1 . 2]" 1
518 1 78 LEU MD2 1 79 ALA H 1.800 . 6.000 4.471 3.928 4.736 . 0 0 "[ . 1 . 2]" 1
519 1 79 ALA H 1 80 LEU QD 1.800 . 6.000 5.280 4.644 5.734 . 0 0 "[ . 1 . 2]" 1
520 1 60 LEU HB3 1 79 ALA H 1.800 . 3.500 2.447 2.028 3.514 0.014 16 0 "[ . 1 . 2]" 1
521 1 60 LEU HA 1 79 ALA H 1.800 . 5.000 4.581 4.260 4.728 . 0 0 "[ . 1 . 2]" 1
522 1 60 LEU HB2 1 79 ALA H 1.800 . 3.500 3.312 2.699 3.517 0.017 8 0 "[ . 1 . 2]" 1
523 1 60 LEU QD 1 79 ALA H 1.800 . 4.000 3.868 3.606 4.002 0.002 10 0 "[ . 1 . 2]" 1
524 1 3 TRP HA 1 79 ALA H 1.800 . 4.500 4.417 3.892 4.540 0.040 10 0 "[ . 1 . 2]" 1
525 1 80 LEU H 1 81 PHE H 1.800 . 4.000 3.908 3.614 4.065 0.065 16 0 "[ . 1 . 2]" 1
526 1 79 ALA HA 1 80 LEU H 1.800 . 3.000 2.472 2.330 2.545 . 0 0 "[ . 1 . 2]" 1
527 1 5 LEU HA 1 80 LEU H 1.800 . 4.000 3.754 3.376 4.014 0.014 6 0 "[ . 1 . 2]" 1
528 1 80 LEU HA 1 81 PHE H 1.800 . 3.000 2.176 2.123 2.239 . 0 0 "[ . 1 . 2]" 1
529 1 80 LEU QD 1 81 PHE H 1.800 . 4.000 3.340 2.483 3.974 . 0 0 "[ . 1 . 2]" 1
530 1 81 PHE H 1 81 PHE HB3 1.800 . 4.000 3.502 2.547 3.917 . 0 0 "[ . 1 . 2]" 1
531 1 81 PHE H 1 81 PHE HB2 1.800 . 4.000 3.244 2.414 3.955 . 0 0 "[ . 1 . 2]" 1
532 1 59 VAL HA 1 81 PHE H 1.800 . 3.000 3.001 2.624 3.093 0.093 15 0 "[ . 1 . 2]" 1
533 1 84 VAL H 1 84 VAL HB 1.800 . 3.500 3.066 2.587 3.595 0.095 14 0 "[ . 1 . 2]" 1
534 1 84 VAL H 1 84 VAL QG 1.800 . 5.000 2.272 1.911 2.910 . 0 0 "[ . 1 . 2]" 1
535 1 84 VAL H 1 85 SER HA 1.800 . 6.000 5.209 4.558 5.649 . 0 0 "[ . 1 . 2]" 1
536 1 83 PRO QB 1 84 VAL H 1.800 . 6.000 3.143 2.101 4.006 . 0 0 "[ . 1 . 2]" 1
537 1 85 SER H 1 85 SER QB 1.800 . 3.500 2.684 2.192 3.385 . 0 0 "[ . 1 . 2]" 1
538 1 84 VAL HA 1 85 SER H 1.800 . 3.000 2.219 2.131 2.841 . 0 0 "[ . 1 . 2]" 1
539 1 84 VAL QG 1 85 SER H 1.800 . 6.000 2.807 2.076 3.717 . 0 0 "[ . 1 . 2]" 1
540 1 84 VAL HB 1 85 SER H 1.800 . 4.500 4.089 2.947 4.507 0.007 8 0 "[ . 1 . 2]" 1
541 1 85 SER HA 1 86 GLY H 1.800 . 6.000 2.638 2.148 3.579 . 0 0 "[ . 1 . 2]" 1
542 1 78 LEU HA 1 79 ALA HA 1.800 . 5.000 4.634 4.605 4.670 . 0 0 "[ . 1 . 2]" 1
543 1 78 LEU HB3 1 79 ALA HA 1.800 . 6.000 4.670 4.463 4.952 . 0 0 "[ . 1 . 2]" 1
544 1 78 LEU HB2 1 79 ALA HA 1.800 . 6.000 5.397 4.976 5.859 . 0 0 "[ . 1 . 2]" 1
545 1 4 LYS HG3 1 17 THR HB 1.800 . 3.500 3.003 2.025 3.524 0.024 12 0 "[ . 1 . 2]" 1
546 1 4 LYS HG2 1 17 THR HB 1.800 . 3.500 2.663 1.952 3.427 . 0 0 "[ . 1 . 2]" 1
547 1 28 VAL QG 1 29 GLY HA3 1.800 . 6.000 4.079 3.309 4.478 . 0 0 "[ . 1 . 2]" 1
548 1 28 VAL QG 1 29 GLY HA2 1.800 . 5.000 3.669 3.480 3.784 . 0 0 "[ . 1 . 2]" 1
549 1 29 GLY HA3 1 32 LEU HB3 1.800 . 5.500 3.774 3.433 4.212 . 0 0 "[ . 1 . 2]" 1
550 1 29 GLY HA2 1 32 LEU HB3 1.800 . 5.500 2.282 1.929 2.691 . 0 0 "[ . 1 . 2]" 1
551 1 29 GLY HA3 1 32 LEU HB2 1.800 . 4.500 4.332 3.903 4.511 0.011 19 0 "[ . 1 . 2]" 1
552 1 29 GLY HA2 1 32 LEU HB2 1.800 . 4.500 2.584 2.165 2.762 . 0 0 "[ . 1 . 2]" 1
553 1 29 GLY HA3 1 31 ALA MB 1.800 . 6.000 5.986 5.916 6.030 0.030 8 0 "[ . 1 . 2]" 1
554 1 29 GLY HA2 1 31 ALA MB 1.800 . 6.000 5.129 5.054 5.226 . 0 0 "[ . 1 . 2]" 1
555 1 28 VAL HA 1 32 LEU HB2 1.800 . 5.000 4.736 4.547 5.003 0.003 16 0 "[ . 1 . 2]" 1
556 1 31 ALA MB 1 32 LEU MD1 1.800 . 6.000 5.081 4.432 5.472 . 0 0 "[ . 1 . 2]" 1
557 1 28 VAL HA 1 32 LEU MD1 1.800 . 6.000 5.242 4.504 5.745 . 0 0 "[ . 1 . 2]" 1
558 1 77 GLU QG 1 78 LEU MD2 1.800 . 6.000 5.273 4.400 6.028 0.028 4 0 "[ . 1 . 2]" 1
559 1 68 LEU HA 1 69 GLY HA3 1.800 . 6.000 5.281 4.957 5.350 . 0 0 "[ . 1 . 2]" 1
560 1 27 THR MG 1 69 GLY HA3 1.800 . 5.500 3.376 3.121 3.858 . 0 0 "[ . 1 . 2]" 1
561 1 27 THR MG 1 69 GLY HA2 1.800 . 5.500 2.021 1.832 2.388 . 0 0 "[ . 1 . 2]" 1
562 1 27 THR HB 1 69 GLY HA3 1.800 . 6.000 5.388 4.906 5.994 . 0 0 "[ . 1 . 2]" 1
563 1 27 THR HB 1 69 GLY HA2 1.800 . 6.000 3.697 3.175 4.474 . 0 0 "[ . 1 . 2]" 1
564 1 32 LEU QD 1 35 LEU QB 1.800 . 6.000 4.522 3.822 5.229 . 0 0 "[ . 1 . 2]" 1
565 1 31 ALA MB 1 32 LEU MD2 1.800 . 6.000 5.767 5.464 5.866 . 0 0 "[ . 1 . 2]" 1
566 1 28 VAL QG 1 32 LEU QD 1.800 . 6.000 3.437 2.786 4.266 . 0 0 "[ . 1 . 2]" 1
567 1 40 PRO HB2 1 42 LEU QD 1.800 . 6.000 5.865 5.371 6.093 0.093 9 0 "[ . 1 . 2]" 1
568 1 28 VAL QG 1 68 LEU HA 1.800 . 4.000 2.813 1.824 3.863 . 0 0 "[ . 1 . 2]" 1
569 1 28 VAL QG 1 70 GLU QB 1.800 . 5.000 3.419 1.786 4.990 0.014 14 0 "[ . 1 . 2]" 1
570 1 28 VAL QG 1 68 LEU HB3 1.800 . 6.000 4.658 3.910 5.623 . 0 0 "[ . 1 . 2]" 1
571 1 27 THR MG 1 28 VAL QG 1.800 . 6.000 3.272 2.575 3.878 . 0 0 "[ . 1 . 2]" 1
572 1 28 VAL QG 1 71 ALA MB 1.800 . 6.000 2.964 1.905 4.234 . 0 0 "[ . 1 . 2]" 1
573 1 61 ARG HA 1 78 LEU MD1 1.800 . 6.000 4.852 3.586 5.998 . 0 0 "[ . 1 . 2]" 1
574 1 61 ARG HA 1 78 LEU MD2 1.800 . 6.000 4.375 2.517 5.834 . 0 0 "[ . 1 . 2]" 1
575 1 7 ALA MB 1 9 LEU QD 1.800 . 6.000 5.605 4.754 6.007 0.007 5 0 "[ . 1 . 2]" 1
576 1 11 GLU HA 1 12 VAL MG2 1.800 . 6.000 4.621 4.521 4.741 . 0 0 "[ . 1 . 2]" 1
577 1 10 ALA HA 1 12 VAL MG2 1.800 . 6.000 5.574 5.328 5.855 . 0 0 "[ . 1 . 2]" 1
578 1 44 SER QB 1 45 ARG QD 1.800 . 6.000 4.270 1.916 5.999 . 0 0 "[ . 1 . 2]" 1
579 1 18 VAL MG2 1 19 ARG QB 1.800 . 6.000 5.802 5.532 5.981 . 0 0 "[ . 1 . 2]" 1
580 1 27 THR HA 1 71 ALA HA 1.800 . 4.000 3.316 2.066 3.993 . 0 0 "[ . 1 . 2]" 1
581 1 26 ALA MB 1 27 THR HA 1.800 . 5.000 4.226 4.034 4.496 . 0 0 "[ . 1 . 2]" 1
582 1 27 THR HA 1 71 ALA MB 1.800 . 5.500 1.961 1.859 2.114 . 0 0 "[ . 1 . 2]" 1
583 1 27 THR HA 1 28 VAL QG 1.800 . 4.500 3.570 3.479 3.686 . 0 0 "[ . 1 . 2]" 1
584 1 4 LYS HA 1 17 THR HA 1.800 . 3.000 2.000 1.792 2.335 0.008 1 0 "[ . 1 . 2]" 1
585 1 4 LYS HG3 1 17 THR HA 1.800 . 5.000 3.953 3.267 4.610 . 0 0 "[ . 1 . 2]" 1
586 1 4 LYS HG2 1 17 THR HA 1.800 . 5.000 3.695 3.028 4.341 . 0 0 "[ . 1 . 2]" 1
587 1 16 ARG QB 1 17 THR HA 1.800 . 5.000 4.108 3.910 4.330 . 0 0 "[ . 1 . 2]" 1
588 1 7 ALA MB 1 10 ALA MB 1.800 . 5.000 3.555 3.064 3.964 . 0 0 "[ . 1 . 2]" 1
589 1 9 LEU QB 1 10 ALA MB 1.800 . 5.000 3.898 3.747 4.058 . 0 0 "[ . 1 . 2]" 1
590 1 34 ALA MB 1 36 VAL HB 1.800 . 6.000 5.762 5.584 6.025 0.025 15 0 "[ . 1 . 2]" 1
591 1 28 VAL HA 1 31 ALA MB 1.800 . 4.000 3.785 3.296 3.992 . 0 0 "[ . 1 . 2]" 1
592 1 28 VAL HB 1 68 LEU HA 1.800 . 5.000 2.804 1.870 4.339 . 0 0 "[ . 1 . 2]" 1
593 1 32 LEU HA 1 35 LEU QB 1.800 . 4.000 3.133 2.790 4.038 0.038 20 0 "[ . 1 . 2]" 1
594 1 6 PHE HA 1 7 ALA MB 1.800 . 5.000 4.259 4.165 4.411 . 0 0 "[ . 1 . 2]" 1
595 1 2 GLU QB 1 3 TRP HA 1.800 . 5.000 3.976 3.853 4.143 . 0 0 "[ . 1 . 2]" 1
596 1 64 GLU HA 1 65 ALA MB 1.800 . 5.000 4.055 3.884 4.199 . 0 0 "[ . 1 . 2]" 1
597 1 3 TRP HA 1 79 ALA MB 1.800 . 5.000 4.513 4.123 4.822 . 0 0 "[ . 1 . 2]" 1
598 1 34 ALA HA 1 36 VAL HB 1.800 . 6.000 5.366 5.125 5.714 . 0 0 "[ . 1 . 2]" 1
599 1 27 THR HB 1 28 VAL HA 1.800 . 5.000 4.553 4.443 4.734 . 0 0 "[ . 1 . 2]" 1
600 1 8 ASP HA 1 11 GLU QB 1.800 . 4.500 3.927 3.559 4.315 . 0 0 "[ . 1 . 2]" 1
601 1 29 GLY HA3 1 68 LEU HB3 1.800 . 6.000 3.886 3.379 4.414 . 0 0 "[ . 1 . 2]" 1
602 1 29 GLY HA2 1 68 LEU HB3 1.800 . 6.000 5.035 4.143 5.565 . 0 0 "[ . 1 . 2]" 1
603 1 29 GLY HA3 1 68 LEU HB2 1.800 . 6.000 3.283 1.781 4.460 0.019 12 0 "[ . 1 . 2]" 1
604 1 29 GLY HA2 1 68 LEU HB2 1.800 . 6.000 4.167 2.613 5.356 . 0 0 "[ . 1 . 2]" 1
605 1 29 GLY HA3 1 68 LEU MD1 1.800 . 5.500 2.774 1.914 3.631 . 0 0 "[ . 1 . 2]" 1
606 1 29 GLY HA2 1 68 LEU MD1 1.800 . 5.500 3.756 2.944 4.471 . 0 0 "[ . 1 . 2]" 1
607 1 29 GLY HA3 1 68 LEU MD2 1.800 . 5.500 2.691 1.872 3.848 . 0 0 "[ . 1 . 2]" 1
608 1 29 GLY HA2 1 68 LEU MD2 1.800 . 5.500 3.894 2.409 5.226 . 0 0 "[ . 1 . 2]" 1
609 1 64 GLU HB3 1 66 ALA MB 1.800 . 6.000 5.622 3.999 6.023 0.023 6 0 "[ . 1 . 2]" 1
610 1 66 ALA MB 1 68 LEU HB3 1.800 . 6.000 5.893 5.308 6.068 0.068 8 0 "[ . 1 . 2]" 1
611 1 21 ASP HA 1 22 VAL QG 1.800 . 6.000 4.669 4.280 4.898 . 0 0 "[ . 1 . 2]" 1
612 1 44 SER HA 1 45 ARG QD 1.800 . 6.000 5.185 3.765 6.010 0.010 18 0 "[ . 1 . 2]" 1
613 1 27 THR MG 1 71 ALA HA 1.800 . 4.000 3.780 3.306 4.040 0.040 6 0 "[ . 1 . 2]" 1
614 1 9 LEU QD 1 42 LEU QB 1.800 . 5.000 2.897 1.804 4.019 . 0 0 "[ . 1 . 2]" 1
615 1 9 LEU HA 1 42 LEU QB 1.800 . 3.500 2.401 1.843 2.954 . 0 0 "[ . 1 . 2]" 1
616 1 12 VAL QG 1 42 LEU HA 1.800 . 5.000 2.486 1.872 3.109 . 0 0 "[ . 1 . 2]" 1
617 1 9 LEU HA 1 42 LEU HA 1.800 . 4.000 3.899 3.660 4.048 0.048 12 0 "[ . 1 . 2]" 1
618 1 4 LYS HA 1 17 THR MG 1.800 . 3.500 2.284 1.934 2.631 . 0 0 "[ . 1 . 2]" 1
619 1 4 LYS HA 1 17 THR HB 1.800 . 3.000 2.930 2.691 3.022 0.022 18 0 "[ . 1 . 2]" 1
620 1 7 ALA HA 1 10 ALA MB 1.800 . 3.000 2.261 1.955 2.747 . 0 0 "[ . 1 . 2]" 1
621 1 25 ASP HA 1 26 ALA MB 1.800 . 5.000 4.803 4.594 5.032 0.032 2 0 "[ . 1 . 2]" 1
622 1 59 VAL HA 1 79 ALA MB 1.800 . 5.500 4.693 4.413 4.907 . 0 0 "[ . 1 . 2]" 1
623 1 59 VAL HA 1 79 ALA HA 1.800 . 6.000 5.846 5.735 5.978 . 0 0 "[ . 1 . 2]" 1
624 1 12 VAL MG1 1 43 GLU HA 1.800 . 5.000 3.897 3.338 4.639 . 0 0 "[ . 1 . 2]" 1
625 1 12 VAL MG2 1 43 GLU HA 1.800 . 5.000 3.589 2.039 4.950 . 0 0 "[ . 1 . 2]" 1
626 1 2 GLU HA 1 19 ARG HA 1.800 . 3.000 2.243 1.834 2.489 . 0 0 "[ . 1 . 2]" 1
627 1 2 GLU QB 1 19 ARG HA 1.800 . 4.000 3.338 2.462 3.907 . 0 0 "[ . 1 . 2]" 1
628 1 2 GLU HA 1 19 ARG QB 1.800 . 4.500 3.856 3.374 4.503 0.003 20 0 "[ . 1 . 2]" 1
629 1 4 LYS QG 1 17 THR HA 1.800 . 5.000 3.285 2.989 3.594 . 0 0 "[ . 1 . 2]" 1
630 1 9 LEU HA 1 11 GLU QB 1.800 . 4.500 4.390 4.040 4.586 0.086 4 0 "[ . 1 . 2]" 1
631 1 59 VAL HA 1 80 LEU HA 1.800 . 3.000 2.202 1.994 2.616 . 0 0 "[ . 1 . 2]" 1
632 1 59 VAL HB 1 80 LEU HA 1.800 . 4.000 3.660 3.249 4.020 0.020 3 0 "[ . 1 . 2]" 1
633 1 61 ARG HA 1 77 GLU HA 1.800 . 3.000 2.529 1.881 2.993 . 0 0 "[ . 1 . 2]" 1
634 1 2 GLU HA 1 77 GLU QG 1.800 . 6.000 5.114 4.828 6.018 0.018 15 0 "[ . 1 . 2]" 1
635 1 6 PHE HA 1 10 ALA MB 1.800 . 6.000 4.204 3.651 4.983 . 0 0 "[ . 1 . 2]" 1
636 1 4 LYS QB 1 79 ALA HA 1.800 . 3.000 2.103 1.897 2.402 . 0 0 "[ . 1 . 2]" 1
637 1 60 LEU QD 1 63 GLY HA2 1.800 . 6.000 5.467 3.294 6.053 0.053 8 0 "[ . 1 . 2]" 1
638 1 60 LEU QD 1 79 ALA MB 1.800 . 5.000 3.540 2.860 4.119 . 0 0 "[ . 1 . 2]" 1
639 1 61 ARG HA 1 78 LEU QD 1.800 . 6.000 3.771 2.512 4.825 . 0 0 "[ . 1 . 2]" 1
640 1 2 GLU HG3 1 78 LEU QD 1.800 . 4.000 3.446 2.639 4.023 0.023 12 0 "[ . 1 . 2]" 1
641 1 2 GLU QB 1 78 LEU QD 1.800 . 4.000 3.508 2.782 4.060 0.060 6 0 "[ . 1 . 2]" 1
642 1 28 VAL QG 1 67 ALA HA 1.800 . 6.000 3.924 3.080 5.143 . 0 0 "[ . 1 . 2]" 1
643 1 45 ARG HB3 1 46 VAL QG 1.800 . 6.000 4.701 3.374 5.453 . 0 0 "[ . 1 . 2]" 1
644 1 45 ARG HB2 1 46 VAL QG 1.800 . 6.000 4.796 3.152 5.547 . 0 0 "[ . 1 . 2]" 1
645 1 3 TRP HB3 1 18 VAL QG 1.800 . 6.000 3.975 2.621 5.882 . 0 0 "[ . 1 . 2]" 1
646 1 3 TRP HB2 1 18 VAL QG 1.800 . 6.000 3.946 2.997 5.750 . 0 0 "[ . 1 . 2]" 1
647 1 22 VAL QG 1 26 ALA MB 1.800 . 5.000 4.850 4.053 5.029 0.029 11 0 "[ . 1 . 2]" 1
648 1 32 LEU QD 1 80 LEU QD 1.800 . 4.000 2.982 1.824 4.023 0.023 12 0 "[ . 1 . 2]" 1
649 1 3 TRP HA 1 79 ALA HA 1.800 . 3.500 3.005 2.676 3.322 . 0 0 "[ . 1 . 2]" 1
650 1 3 TRP HB3 1 35 LEU QD 1.800 . 5.000 3.832 2.581 5.013 0.013 11 0 "[ . 1 . 2]" 1
651 1 3 TRP HB2 1 35 LEU QD 1.800 . 5.000 4.117 1.999 5.024 0.024 15 0 "[ . 1 . 2]" 1
652 1 3 TRP HE3 1 31 ALA MB 1.800 . 6.000 4.359 3.449 5.861 . 0 0 "[ . 1 . 2]" 1
653 1 3 TRP HE3 1 32 LEU HA 1.800 . 5.000 4.352 3.235 5.023 0.023 4 0 "[ . 1 . 2]" 1
654 1 3 TRP HZ3 1 32 LEU HA 1.800 . 3.000 2.583 2.003 3.031 0.031 7 0 "[ . 1 . 2]" 1
655 1 3 TRP HE3 1 32 LEU QD 1.800 . 6.000 4.300 2.138 5.362 . 0 0 "[ . 1 . 2]" 1
656 1 4 LYS HA 1 79 ALA MB 1.800 . 5.000 4.418 4.245 4.538 . 0 0 "[ . 1 . 2]" 1
657 1 6 PHE HA 1 7 ALA HA 1.800 . 5.000 4.325 4.307 4.339 . 0 0 "[ . 1 . 2]" 1
658 1 10 ALA MB 1 16 ARG HA 1.800 . 6.000 3.673 2.331 5.758 . 0 0 "[ . 1 . 2]" 1
659 1 16 ARG HA 1 17 THR MG 1.800 . 6.000 4.473 4.128 4.622 . 0 0 "[ . 1 . 2]" 1
660 1 33 ASP HA 1 36 VAL HB 1.800 . 3.000 2.506 2.136 2.974 . 0 0 "[ . 1 . 2]" 1
661 1 33 ASP HA 1 36 VAL QG 1.800 . 3.500 2.888 2.264 3.454 . 0 0 "[ . 1 . 2]" 1
662 1 21 ASP HB2 1 22 VAL HA 1.800 . 5.000 4.841 4.202 5.033 0.033 3 0 "[ . 1 . 2]" 1
663 1 22 VAL HA 1 23 ASP QB 1.800 . 5.000 4.199 3.943 4.659 . 0 0 "[ . 1 . 2]" 1
664 1 4 LYS QB 1 79 ALA MB 1.800 . 3.000 1.929 1.833 2.016 . 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 89
_Distance_constraint_stats_list.Viol_total 37.096
_Distance_constraint_stats_list.Viol_max 0.094
_Distance_constraint_stats_list.Viol_rms 0.0102
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0036
_Distance_constraint_stats_list.Viol_average_violations_only 0.0208
_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 2 GLU 0.526 0.094 11 0 "[ . 1 . 2]"
1 3 TRP 0.213 0.034 10 0 "[ . 1 . 2]"
1 18 VAL 0.213 0.034 10 0 "[ . 1 . 2]"
1 31 ALA 0.057 0.018 16 0 "[ . 1 . 2]"
1 32 LEU 0.101 0.028 15 0 "[ . 1 . 2]"
1 33 ASP 0.140 0.042 3 0 "[ . 1 . 2]"
1 34 ALA 0.508 0.056 13 0 "[ . 1 . 2]"
1 35 LEU 0.101 0.028 15 0 "[ . 1 . 2]"
1 36 VAL 0.140 0.042 3 0 "[ . 1 . 2]"
1 37 GLY 0.451 0.056 13 0 "[ . 1 . 2]"
1 40 PRO 0.021 0.009 16 0 "[ . 1 . 2]"
1 43 GLU 0.021 0.009 16 0 "[ . 1 . 2]"
1 58 ASN 0.003 0.003 18 0 "[ . 1 . 2]"
1 60 LEU 0.343 0.046 5 0 "[ . 1 . 2]"
1 77 GLU 0.526 0.094 11 0 "[ . 1 . 2]"
1 79 ALA 0.343 0.046 5 0 "[ . 1 . 2]"
1 81 PHE 0.003 0.003 18 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 TRP H 1 18 VAL O 2.000 . 2.800 2.247 1.882 2.670 . 0 0 "[ . 1 . 2]" 2
2 1 3 TRP N 1 18 VAL O 3.000 2.800 3.800 2.902 2.766 3.124 0.034 10 0 "[ . 1 . 2]" 2
3 1 3 TRP O 1 18 VAL H 2.000 . 2.800 1.933 1.830 2.170 . 0 0 "[ . 1 . 2]" 2
4 1 3 TRP O 1 18 VAL N 3.000 2.800 3.800 2.815 2.772 2.965 0.028 6 0 "[ . 1 . 2]" 2
5 1 60 LEU O 1 79 ALA H 2.000 . 2.800 2.482 2.275 2.685 . 0 0 "[ . 1 . 2]" 2
6 1 60 LEU O 1 79 ALA N 3.000 2.800 3.800 3.417 3.225 3.640 . 0 0 "[ . 1 . 2]" 2
7 1 60 LEU H 1 79 ALA O 2.000 . 2.800 1.837 1.788 2.120 0.012 7 0 "[ . 1 . 2]" 2
8 1 60 LEU N 1 79 ALA O 3.000 2.800 3.800 2.808 2.754 3.088 0.046 5 0 "[ . 1 . 2]" 2
9 1 58 ASN H 1 81 PHE O 2.000 . 2.800 2.446 2.236 2.759 . 0 0 "[ . 1 . 2]" 2
10 1 58 ASN N 1 81 PHE O 3.000 2.800 3.800 3.108 2.908 3.304 . 0 0 "[ . 1 . 2]" 2
11 1 58 ASN O 1 81 PHE H 2.000 . 2.800 2.278 1.931 2.717 . 0 0 "[ . 1 . 2]" 2
12 1 58 ASN O 1 81 PHE N 3.000 2.800 3.800 2.978 2.797 3.211 0.003 18 0 "[ . 1 . 2]" 2
13 1 2 GLU O 1 77 GLU H 2.000 . 3.000 3.022 2.978 3.094 0.094 11 0 "[ . 1 . 2]" 2
14 1 2 GLU O 1 77 GLU N 3.000 2.800 4.000 3.686 3.570 3.783 . 0 0 "[ . 1 . 2]" 2
15 1 2 GLU H 1 77 GLU O 2.000 . 3.000 2.445 2.017 3.033 0.033 8 0 "[ . 1 . 2]" 2
16 1 2 GLU N 1 77 GLU O 3.000 2.800 4.000 3.280 2.916 3.802 . 0 0 "[ . 1 . 2]" 2
17 1 34 ALA O 1 37 GLY H 2.000 . 3.000 3.009 2.846 3.056 0.056 13 0 "[ . 1 . 2]" 2
18 1 34 ALA O 1 37 GLY N 3.000 2.800 4.000 3.440 3.322 3.564 . 0 0 "[ . 1 . 2]" 2
19 1 33 ASP O 1 36 VAL H 2.000 . 3.000 2.753 2.361 3.042 0.042 3 0 "[ . 1 . 2]" 2
20 1 33 ASP O 1 36 VAL N 3.000 2.800 4.000 3.354 2.914 3.687 . 0 0 "[ . 1 . 2]" 2
21 1 32 LEU O 1 35 LEU H 2.000 . 3.000 2.942 2.754 3.028 0.028 15 0 "[ . 1 . 2]" 2
22 1 32 LEU O 1 35 LEU N 3.000 2.800 4.000 3.329 3.178 3.420 . 0 0 "[ . 1 . 2]" 2
23 1 31 ALA O 1 34 ALA H 2.000 . 3.000 2.860 2.239 3.018 0.018 16 0 "[ . 1 . 2]" 2
24 1 31 ALA O 1 34 ALA N 3.000 2.800 4.000 3.300 2.838 3.502 . 0 0 "[ . 1 . 2]" 2
25 1 40 PRO O 1 43 GLU H 2.000 . 3.000 2.319 1.883 2.837 . 0 0 "[ . 1 . 2]" 2
26 1 40 PRO O 1 43 GLU N 3.000 2.800 4.000 3.137 2.791 3.683 0.009 16 0 "[ . 1 . 2]" 2
stop_
save_