NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
401095 |
1vaz   |
5874 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1vaz
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 717
_Distance_constraint_stats_list.Viol_count 1300
_Distance_constraint_stats_list.Viol_total 698.367
_Distance_constraint_stats_list.Viol_max 0.250
_Distance_constraint_stats_list.Viol_rms 0.0291
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0097
_Distance_constraint_stats_list.Viol_average_violations_only 0.0537
_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 20 GLN 0.005 0.005 5 0 "[ . 1]"
1 21 ASP 0.597 0.155 2 0 "[ . 1]"
1 22 VAL 2.881 0.156 6 0 "[ . 1]"
1 23 HIS 0.477 0.206 4 0 "[ . 1]"
1 24 VAL 0.249 0.046 5 0 "[ . 1]"
1 25 VAL 0.077 0.021 5 0 "[ . 1]"
1 26 LEU 0.804 0.104 8 0 "[ . 1]"
1 27 LYS 3.242 0.166 9 0 "[ . 1]"
1 28 LEU 0.455 0.040 8 0 "[ . 1]"
1 29 TRP 2.063 0.098 6 0 "[ . 1]"
1 30 LYS 0.279 0.189 8 0 "[ . 1]"
1 31 THR 0.070 0.060 8 0 "[ . 1]"
1 32 GLY 2.484 0.128 2 0 "[ . 1]"
1 33 PHE 1.267 0.112 9 0 "[ . 1]"
1 34 SER 1.382 0.101 4 0 "[ . 1]"
1 35 LEU 2.736 0.160 9 0 "[ . 1]"
1 36 ASP 0.077 0.021 5 0 "[ . 1]"
1 37 ASN 0.556 0.054 6 0 "[ . 1]"
1 38 GLY 0.340 0.037 6 0 "[ . 1]"
1 39 ASP 1.029 0.113 6 0 "[ . 1]"
1 40 LEU 1.978 0.197 6 0 "[ . 1]"
1 41 ARG 0.191 0.041 4 0 "[ . 1]"
1 42 SER 0.167 0.024 1 0 "[ . 1]"
1 43 TYR 0.614 0.040 8 0 "[ . 1]"
1 44 GLN 1.615 0.165 2 0 "[ . 1]"
1 45 ASP 0.451 0.060 5 0 "[ . 1]"
1 46 PRO 0.435 0.066 9 0 "[ . 1]"
1 47 SER 0.033 0.015 3 0 "[ . 1]"
1 48 ASN 0.576 0.054 6 0 "[ . 1]"
1 49 ALA 1.511 0.086 8 0 "[ . 1]"
1 50 GLN 1.700 0.116 9 0 "[ . 1]"
1 51 PHE 1.594 0.076 1 0 "[ . 1]"
1 52 LEU 4.909 0.152 6 0 "[ . 1]"
1 53 GLU 2.497 0.105 3 0 "[ . 1]"
1 54 SER 2.328 0.084 10 0 "[ . 1]"
1 55 ILE 4.963 0.188 3 0 "[ . 1]"
1 56 ARG 1.346 0.061 4 0 "[ . 1]"
1 57 ARG 1.973 0.137 2 0 "[ . 1]"
1 58 GLY 1.687 0.157 4 0 "[ . 1]"
1 59 GLU 0.648 0.120 2 0 "[ . 1]"
1 60 VAL 1.964 0.156 6 0 "[ . 1]"
1 61 PRO 1.998 0.154 8 0 "[ . 1]"
1 62 ALA 0.450 0.086 8 0 "[ . 1]"
1 63 GLU 0.008 0.008 10 0 "[ . 1]"
1 64 LEU 2.685 0.203 9 0 "[ . 1]"
1 65 ARG 2.084 0.250 4 0 "[ . 1]"
1 66 ARG 2.046 0.085 7 0 "[ . 1]"
1 67 LEU 3.990 0.156 10 0 "[ . 1]"
1 68 ALA 1.785 0.068 7 0 "[ . 1]"
1 69 HIS 1.817 0.115 3 0 "[ . 1]"
1 70 GLY 1.475 0.116 3 0 "[ . 1]"
1 71 GLY 2.751 0.158 4 0 "[ . 1]"
1 72 GLN 2.807 0.141 5 0 "[ . 1]"
1 73 VAL 2.643 0.250 4 0 "[ . 1]"
1 74 ASN 0.280 0.040 4 0 "[ . 1]"
1 75 LEU 2.598 0.165 2 0 "[ . 1]"
1 76 ASP 1.562 0.168 5 0 "[ . 1]"
1 77 MET 0.107 0.029 8 0 "[ . 1]"
1 78 GLU 1.487 0.164 4 0 "[ . 1]"
1 79 ASP 1.405 0.147 7 0 "[ . 1]"
1 80 HIS 0.396 0.053 4 0 "[ . 1]"
1 81 ARG 2.807 0.141 8 0 "[ . 1]"
1 82 ASP 0.432 0.060 5 0 "[ . 1]"
1 83 GLU 1.005 0.103 2 0 "[ . 1]"
1 84 ASP 1.882 0.163 6 0 "[ . 1]"
1 85 PHE 0.718 0.071 4 0 "[ . 1]"
1 86 VAL 0.091 0.045 1 0 "[ . 1]"
1 87 LYS 0.251 0.097 5 0 "[ . 1]"
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 20 GLN HA 1 21 ASP H 0.000 . 2.800 2.405 2.215 2.805 0.005 5 0 "[ . 1]" 1
2 1 21 ASP H 1 21 ASP QB 0.000 . 3.500 2.627 1.925 3.313 . 0 0 "[ . 1]" 1
3 1 21 ASP H 1 22 VAL H 0.000 . 5.000 4.034 1.862 4.668 . 0 0 "[ . 1]" 1
4 1 21 ASP HA 1 22 VAL H 0.000 . 2.800 2.570 2.208 2.955 0.155 2 0 "[ . 1]" 1
5 1 21 ASP QB 1 22 VAL H 0.000 . 3.500 3.009 2.089 3.653 0.153 9 0 "[ . 1]" 1
6 1 22 VAL H 1 22 VAL HA 0.000 . 2.800 2.941 2.935 2.956 0.156 6 0 "[ . 1]" 1
7 1 22 VAL H 1 22 VAL HB 0.000 . 2.800 2.525 2.053 2.863 0.063 2 0 "[ . 1]" 1
8 1 22 VAL H 1 22 VAL QG 0.000 . 3.500 2.161 1.808 2.888 . 0 0 "[ . 1]" 1
9 1 22 VAL H 1 23 HIS H 0.000 . 5.000 4.220 3.769 4.577 . 0 0 "[ . 1]" 1
10 1 22 VAL H 1 73 VAL QG 0.000 . 5.000 3.768 2.288 4.379 . 0 0 "[ . 1]" 1
11 1 22 VAL HA 1 23 HIS H 0.000 . 2.800 2.282 2.231 2.318 . 0 0 "[ . 1]" 1
12 1 22 VAL HB 1 23 HIS H 0.000 . 5.000 4.497 4.151 4.663 . 0 0 "[ . 1]" 1
13 1 22 VAL QG 1 23 HIS H 0.000 . 3.500 3.178 2.660 3.371 . 0 0 "[ . 1]" 1
14 1 23 HIS H 1 23 HIS QB 0.000 . 3.500 2.527 2.275 2.980 . 0 0 "[ . 1]" 1
15 1 23 HIS H 1 23 HIS HD2 0.000 . 5.000 4.407 1.630 5.019 0.019 7 0 "[ . 1]" 1
16 1 23 HIS H 1 24 VAL H 0.000 . 5.000 4.425 4.186 4.498 . 0 0 "[ . 1]" 1
17 1 23 HIS HA 1 24 VAL H 0.000 . 2.800 2.291 2.233 2.392 . 0 0 "[ . 1]" 1
18 1 23 HIS QB 1 24 VAL H 0.000 . 3.500 3.353 2.820 3.538 0.038 7 0 "[ . 1]" 1
19 1 23 HIS HD2 1 24 VAL H 0.000 . 5.000 3.560 1.858 4.990 . 0 0 "[ . 1]" 1
20 1 24 VAL H 1 24 VAL HB 0.000 . 3.500 3.216 2.738 3.546 0.046 5 0 "[ . 1]" 1
21 1 24 VAL H 1 24 VAL QG 0.000 . 3.500 2.420 1.803 3.201 . 0 0 "[ . 1]" 1
22 1 24 VAL H 1 75 LEU HA 0.000 . 3.500 2.705 2.495 3.496 . 0 0 "[ . 1]" 1
23 1 24 VAL H 1 74 ASN H 0.000 . 5.000 4.889 4.650 5.028 0.028 9 0 "[ . 1]" 1
24 1 24 VAL H 1 25 VAL H 0.000 . 5.000 4.423 4.341 4.483 . 0 0 "[ . 1]" 1
25 1 24 VAL HA 1 25 VAL H 0.000 . 2.800 2.436 2.278 2.469 . 0 0 "[ . 1]" 1
26 1 24 VAL HB 1 25 VAL H 0.000 . 5.000 3.384 2.593 4.084 . 0 0 "[ . 1]" 1
27 1 25 VAL H 1 25 VAL HB 0.000 . 3.500 2.523 2.171 2.679 . 0 0 "[ . 1]" 1
28 1 25 VAL H 1 25 VAL QG 0.000 . 3.500 2.273 1.906 2.633 . 0 0 "[ . 1]" 1
29 1 25 VAL HA 1 26 LEU H 0.000 . 2.800 2.283 2.216 2.388 . 0 0 "[ . 1]" 1
30 1 26 LEU H 1 26 LEU HB3 0.000 . 3.500 3.155 2.386 3.604 0.104 8 0 "[ . 1]" 1
31 1 26 LEU H 1 26 LEU HB2 0.000 . 3.500 2.868 2.345 3.513 0.013 7 0 "[ . 1]" 1
32 1 26 LEU H 1 26 LEU QD 0.000 . 5.000 3.101 1.907 3.929 . 0 0 "[ . 1]" 1
33 1 26 LEU H 1 76 ASP H 0.000 . 5.000 3.012 2.552 3.901 . 0 0 "[ . 1]" 1
34 1 26 LEU H 1 77 MET HA 0.000 . 3.500 3.487 3.379 3.529 0.029 8 0 "[ . 1]" 1
35 1 26 LEU HA 1 27 LYS H 0.000 . 2.800 2.239 2.214 2.267 . 0 0 "[ . 1]" 1
36 1 27 LYS H 1 27 LYS HA 0.000 . 2.800 2.948 2.929 2.964 0.164 10 0 "[ . 1]" 1
37 1 27 LYS H 1 27 LYS QB 0.000 . 3.500 2.129 2.013 2.290 . 0 0 "[ . 1]" 1
38 1 27 LYS H 1 27 LYS QG 0.000 . 3.500 3.605 3.540 3.666 0.166 9 0 "[ . 1]" 1
39 1 27 LYS H 1 27 LYS QD 0.000 . 5.000 4.839 4.636 5.041 0.041 4 0 "[ . 1]" 1
40 1 27 LYS H 1 34 SER H 0.000 . 3.500 2.969 2.540 3.415 . 0 0 "[ . 1]" 1
41 1 27 LYS H 1 35 LEU HA 0.000 . 5.000 3.536 3.297 3.943 . 0 0 "[ . 1]" 1
42 1 27 LYS HA 1 28 LEU H 0.000 . 2.800 2.361 2.260 2.413 . 0 0 "[ . 1]" 1
43 1 28 LEU H 1 28 LEU HB3 0.000 . 3.500 3.035 2.832 3.399 . 0 0 "[ . 1]" 1
44 1 28 LEU H 1 28 LEU HB2 0.000 . 3.500 2.542 2.319 2.750 . 0 0 "[ . 1]" 1
45 1 28 LEU H 1 28 LEU QD 0.000 . 5.000 3.602 3.169 3.865 . 0 0 "[ . 1]" 1
46 1 28 LEU H 1 78 GLU H 0.000 . 5.000 3.831 3.609 4.081 . 0 0 "[ . 1]" 1
47 1 28 LEU H 1 79 ASP HA 0.000 . 5.000 4.230 3.948 4.519 . 0 0 "[ . 1]" 1
48 1 28 LEU H 1 80 HIS H 0.000 . 5.000 3.996 3.542 5.005 0.005 4 0 "[ . 1]" 1
49 1 28 LEU H 1 80 HIS HD2 0.000 . 5.000 4.466 2.968 5.005 0.005 8 0 "[ . 1]" 1
50 1 28 LEU HA 1 29 TRP H 0.000 . 2.800 2.211 2.188 2.235 . 0 0 "[ . 1]" 1
51 1 28 LEU QD 1 29 TRP H 0.000 . 5.000 3.511 2.323 4.032 . 0 0 "[ . 1]" 1
52 1 29 TRP H 1 29 TRP HB3 0.000 . 3.500 3.565 3.544 3.598 0.098 6 0 "[ . 1]" 1
53 1 29 TRP H 1 29 TRP HB2 0.000 . 3.500 2.532 2.475 2.575 . 0 0 "[ . 1]" 1
54 1 29 TRP H 1 29 TRP HD1 0.000 . 3.500 2.088 1.762 2.507 . 0 0 "[ . 1]" 1
55 1 29 TRP H 1 32 GLY H 0.000 . 5.000 3.138 2.699 3.432 . 0 0 "[ . 1]" 1
56 1 29 TRP H 1 33 PHE HA 0.000 . 3.500 2.295 1.946 2.846 . 0 0 "[ . 1]" 1
57 1 27 LYS QB 1 29 TRP HE1 0.000 . 3.500 3.532 3.464 3.552 0.052 9 0 "[ . 1]" 1
58 1 27 LYS QG 1 29 TRP HE1 0.000 . 3.500 2.454 2.019 2.804 . 0 0 "[ . 1]" 1
59 1 29 TRP HE1 1 34 SER H 0.000 . 5.000 2.203 1.867 2.610 . 0 0 "[ . 1]" 1
60 1 29 TRP HE1 1 34 SER HB3 0.000 . 5.000 2.221 1.836 3.104 . 0 0 "[ . 1]" 1
61 1 29 TRP HE1 1 34 SER HB2 0.000 . 5.000 1.764 1.620 1.958 . 0 0 "[ . 1]" 1
62 1 29 TRP HA 1 30 LYS H 0.000 . 2.800 2.543 2.495 2.653 . 0 0 "[ . 1]" 1
63 1 29 TRP HB3 1 30 LYS H 0.000 . 3.500 2.520 2.369 2.617 . 0 0 "[ . 1]" 1
64 1 29 TRP HB2 1 30 LYS H 0.000 . 3.500 3.328 3.062 3.425 . 0 0 "[ . 1]" 1
65 1 30 LYS H 1 30 LYS QB 0.000 . 3.500 2.098 1.971 2.523 . 0 0 "[ . 1]" 1
66 1 30 LYS H 1 30 LYS QG 0.000 . 3.500 3.111 1.941 3.689 0.189 8 0 "[ . 1]" 1
67 1 30 LYS H 1 30 LYS QE 0.000 . 5.000 4.494 3.630 5.002 0.002 9 0 "[ . 1]" 1
68 1 30 LYS H 1 31 THR H 0.000 . 3.500 3.144 3.048 3.213 . 0 0 "[ . 1]" 1
69 1 30 LYS QB 1 31 THR H 0.000 . 3.500 2.599 2.346 3.360 . 0 0 "[ . 1]" 1
70 1 31 THR H 1 31 THR HB 0.000 . 3.500 3.318 3.167 3.496 . 0 0 "[ . 1]" 1
71 1 31 THR H 1 32 GLY H 0.000 . 3.500 2.084 1.861 2.228 . 0 0 "[ . 1]" 1
72 1 29 TRP HB3 1 32 GLY H 0.000 . 5.000 3.819 3.682 4.221 . 0 0 "[ . 1]" 1
73 1 29 TRP HB2 1 32 GLY H 0.000 . 5.000 2.351 2.249 2.674 . 0 0 "[ . 1]" 1
74 1 31 THR HA 1 32 GLY H 0.000 . 3.500 3.073 2.996 3.148 . 0 0 "[ . 1]" 1
75 1 31 THR HB 1 32 GLY H 0.000 . 5.000 4.548 4.487 4.595 . 0 0 "[ . 1]" 1
76 1 32 GLY H 1 32 GLY HA3 0.000 . 2.800 2.698 2.694 2.702 . 0 0 "[ . 1]" 1
77 1 32 GLY H 1 32 GLY HA2 0.000 . 2.800 2.926 2.923 2.928 0.128 2 0 "[ . 1]" 1
78 1 32 GLY H 1 40 LEU MD1 0.000 . 5.000 4.126 3.866 4.410 . 0 0 "[ . 1]" 1
79 1 32 GLY H 1 33 PHE H 0.000 . 6.000 4.355 4.343 4.369 . 0 0 "[ . 1]" 1
80 1 32 GLY H 1 43 TYR H 0.000 . 6.000 4.712 4.388 4.935 . 0 0 "[ . 1]" 1
81 1 32 GLY HA3 1 33 PHE H 0.000 . 2.800 2.905 2.895 2.912 0.112 9 0 "[ . 1]" 1
82 1 32 GLY HA2 1 33 PHE H 0.000 . 2.800 2.323 2.314 2.336 . 0 0 "[ . 1]" 1
83 1 33 PHE H 1 33 PHE QD 0.000 . 5.000 2.692 2.402 3.010 . 0 0 "[ . 1]" 1
84 1 33 PHE H 1 40 LEU MD1 0.000 . 5.000 3.514 2.702 4.442 . 0 0 "[ . 1]" 1
85 1 33 PHE H 1 41 ARG H 0.000 . 3.500 3.482 3.305 3.527 0.027 7 0 "[ . 1]" 1
86 1 33 PHE H 1 41 ARG HB3 0.000 . 5.000 3.586 2.780 3.979 . 0 0 "[ . 1]" 1
87 1 33 PHE H 1 41 ARG HB2 0.000 . 5.000 3.652 3.286 4.484 . 0 0 "[ . 1]" 1
88 1 33 PHE H 1 42 SER HA 0.000 . 5.000 4.103 3.889 4.229 . 0 0 "[ . 1]" 1
89 1 33 PHE H 1 43 TYR H 0.000 . 6.000 4.051 3.707 4.328 . 0 0 "[ . 1]" 1
90 1 27 LYS QB 1 34 SER H 0.000 . 5.000 2.894 2.599 3.203 . 0 0 "[ . 1]" 1
91 1 27 LYS QG 1 34 SER H 0.000 . 5.000 2.670 2.287 3.018 . 0 0 "[ . 1]" 1
92 1 28 LEU HA 1 34 SER H 0.000 . 3.500 3.464 3.378 3.537 0.037 3 0 "[ . 1]" 1
93 1 33 PHE HA 1 34 SER H 0.000 . 2.800 2.290 2.226 2.344 . 0 0 "[ . 1]" 1
94 1 33 PHE HB3 1 34 SER H 0.000 . 5.000 4.024 3.804 4.277 . 0 0 "[ . 1]" 1
95 1 33 PHE HB2 1 34 SER H 0.000 . 5.000 3.113 2.941 3.381 . 0 0 "[ . 1]" 1
96 1 33 PHE QD 1 34 SER H 0.000 . 5.000 3.975 3.354 4.417 . 0 0 "[ . 1]" 1
97 1 34 SER HA 1 35 LEU H 0.000 . 2.800 2.528 2.457 2.557 . 0 0 "[ . 1]" 1
98 1 34 SER HB3 1 35 LEU H 0.000 . 3.500 3.431 2.264 3.601 0.101 4 0 "[ . 1]" 1
99 1 34 SER HB2 1 35 LEU H 0.000 . 3.500 3.536 3.519 3.548 0.048 8 0 "[ . 1]" 1
100 1 35 LEU H 1 35 LEU HB3 0.000 . 3.500 3.344 3.104 3.507 0.007 6 0 "[ . 1]" 1
101 1 35 LEU H 1 35 LEU HB2 0.000 . 3.500 2.928 2.775 3.215 . 0 0 "[ . 1]" 1
102 1 35 LEU H 1 35 LEU HG 0.000 . 5.000 4.697 4.342 5.119 0.119 10 0 "[ . 1]" 1
103 1 35 LEU H 1 35 LEU QD 0.000 . 5.000 3.837 3.540 4.089 . 0 0 "[ . 1]" 1
104 1 25 VAL HB 1 36 ASP H 0.000 . 3.500 3.375 2.755 3.521 0.021 5 0 "[ . 1]" 1
105 1 25 VAL H 1 36 ASP H 0.000 . 5.000 3.868 3.338 4.270 . 0 0 "[ . 1]" 1
106 1 24 VAL QG 1 36 ASP H 0.000 . 5.000 3.384 2.771 3.772 . 0 0 "[ . 1]" 1
107 1 35 LEU H 1 36 ASP H 0.000 . 5.000 3.868 3.566 4.020 . 0 0 "[ . 1]" 1
108 1 35 LEU HA 1 36 ASP H 0.000 . 3.500 2.241 2.212 2.334 . 0 0 "[ . 1]" 1
109 1 35 LEU HB3 1 36 ASP H 0.000 . 5.000 4.048 3.845 4.245 . 0 0 "[ . 1]" 1
110 1 35 LEU HB2 1 36 ASP H 0.000 . 5.000 4.626 4.500 4.693 . 0 0 "[ . 1]" 1
111 1 35 LEU QD 1 36 ASP H 0.000 . 5.000 2.632 1.868 3.492 . 0 0 "[ . 1]" 1
112 1 36 ASP H 1 36 ASP HA 0.000 . 2.800 2.370 2.362 2.393 . 0 0 "[ . 1]" 1
113 1 37 ASN H 1 37 ASN HB3 0.000 . 3.500 2.760 2.120 3.186 . 0 0 "[ . 1]" 1
114 1 37 ASN H 1 37 ASN HB2 0.000 . 3.500 2.781 1.990 3.513 0.013 2 0 "[ . 1]" 1
115 1 37 ASN HA 1 38 GLY H 0.000 . 3.500 3.363 2.915 3.505 0.005 1 0 "[ . 1]" 1
116 1 37 ASN QB 1 38 GLY H 0.000 . 3.500 3.042 1.830 3.518 0.018 1 0 "[ . 1]" 1
117 1 38 GLY H 1 38 GLY HA2 0.000 . 2.800 2.690 2.340 2.809 0.009 10 0 "[ . 1]" 1
118 1 38 GLY H 1 38 GLY HA3 0.000 . 2.800 2.453 2.350 2.833 0.033 6 0 "[ . 1]" 1
119 1 38 GLY H 1 39 ASP H 0.000 . 5.000 4.650 4.457 4.698 . 0 0 "[ . 1]" 1
120 1 37 ASN H 1 38 GLY H 0.000 . 5.000 2.886 2.033 4.295 . 0 0 "[ . 1]" 1
121 1 38 GLY HA3 1 39 ASP H 0.000 . 2.800 2.822 2.812 2.837 0.037 6 0 "[ . 1]" 1
122 1 38 GLY HA2 1 39 ASP H 0.000 . 2.800 2.402 2.381 2.421 . 0 0 "[ . 1]" 1
123 1 39 ASP H 1 39 ASP HA 0.000 . 2.800 2.871 2.835 2.913 0.113 6 0 "[ . 1]" 1
124 1 39 ASP H 1 39 ASP HB3 0.000 . 3.500 3.331 2.610 3.520 0.020 7 0 "[ . 1]" 1
125 1 39 ASP H 1 39 ASP HB2 0.000 . 3.500 2.687 2.172 3.505 0.005 10 0 "[ . 1]" 1
126 1 39 ASP H 1 40 LEU H 0.000 . 5.000 4.589 4.483 4.656 . 0 0 "[ . 1]" 1
127 1 39 ASP HA 1 40 LEU H 0.000 . 2.800 2.594 2.444 2.721 . 0 0 "[ . 1]" 1
128 1 39 ASP HB3 1 40 LEU H 0.000 . 3.500 2.626 2.024 3.517 0.017 3 0 "[ . 1]" 1
129 1 39 ASP HB2 1 40 LEU H 0.000 . 3.500 3.087 2.013 3.503 0.003 8 0 "[ . 1]" 1
130 1 40 LEU H 1 40 LEU HG 0.000 . 5.000 4.218 4.095 4.369 . 0 0 "[ . 1]" 1
131 1 40 LEU H 1 40 LEU HB3 0.000 . 2.800 2.131 2.049 2.356 . 0 0 "[ . 1]" 1
132 1 40 LEU H 1 40 LEU HB2 0.000 . 2.800 2.781 2.528 2.827 0.027 3 0 "[ . 1]" 1
133 1 40 LEU H 1 40 LEU MD1 0.000 . 5.000 4.263 4.215 4.325 . 0 0 "[ . 1]" 1
134 1 40 LEU H 1 40 LEU MD2 0.000 . 5.000 3.828 3.471 4.071 . 0 0 "[ . 1]" 1
135 1 41 ARG HB3 1 41 ARG HE 0.000 . 5.000 4.330 3.715 4.763 . 0 0 "[ . 1]" 1
136 1 41 ARG HB2 1 41 ARG HE 0.000 . 5.000 3.937 2.363 4.595 . 0 0 "[ . 1]" 1
137 1 40 LEU HA 1 41 ARG H 0.000 . 2.800 2.315 2.228 2.393 . 0 0 "[ . 1]" 1
138 1 40 LEU MD1 1 41 ARG H 0.000 . 5.000 2.917 1.829 4.005 . 0 0 "[ . 1]" 1
139 1 40 LEU MD2 1 41 ARG H 0.000 . 5.000 3.794 3.202 4.310 . 0 0 "[ . 1]" 1
140 1 41 ARG H 1 41 ARG HB3 0.000 . 3.500 3.307 2.783 3.506 0.006 9 0 "[ . 1]" 1
141 1 41 ARG H 1 41 ARG HB2 0.000 . 3.500 2.236 2.083 2.543 . 0 0 "[ . 1]" 1
142 1 41 ARG H 1 41 ARG HG3 0.000 . 5.000 4.046 3.313 4.429 . 0 0 "[ . 1]" 1
143 1 41 ARG H 1 41 ARG HG2 0.000 . 5.000 4.269 3.204 4.771 . 0 0 "[ . 1]" 1
144 1 41 ARG HA 1 42 SER H 0.000 . 3.500 2.275 2.248 2.317 . 0 0 "[ . 1]" 1
145 1 41 ARG HB2 1 42 SER H 0.000 . 5.000 4.320 4.230 4.411 . 0 0 "[ . 1]" 1
146 1 42 SER H 1 42 SER HB3 0.000 . 3.500 3.098 2.820 3.440 . 0 0 "[ . 1]" 1
147 1 42 SER H 1 42 SER HB2 0.000 . 3.500 2.096 2.039 2.206 . 0 0 "[ . 1]" 1
148 1 42 SER H 1 48 ASN QD 0.000 . 5.000 4.074 3.030 5.024 0.024 1 0 "[ . 1]" 1
149 1 32 GLY HA3 1 43 TYR H 0.000 . 3.500 3.479 3.177 3.525 0.025 2 0 "[ . 1]" 1
150 1 32 GLY HA2 1 43 TYR H 0.000 . 3.500 2.339 2.045 2.525 . 0 0 "[ . 1]" 1
151 1 42 SER HA 1 43 TYR H 0.000 . 2.800 2.222 2.202 2.278 . 0 0 "[ . 1]" 1
152 1 42 SER QB 1 43 TYR H 0.000 . 5.000 3.545 3.221 3.718 . 0 0 "[ . 1]" 1
153 1 43 TYR H 1 43 TYR HB3 0.000 . 3.500 3.390 3.320 3.503 0.003 6 0 "[ . 1]" 1
154 1 43 TYR H 1 43 TYR HB2 0.000 . 3.500 2.036 1.956 2.180 . 0 0 "[ . 1]" 1
155 1 43 TYR H 1 43 TYR QD 0.000 . 5.000 2.668 2.432 2.761 . 0 0 "[ . 1]" 1
156 1 43 TYR H 1 43 TYR QE 0.000 . 5.000 4.903 4.599 5.027 0.027 8 0 "[ . 1]" 1
157 1 43 TYR HA 1 44 GLN H 0.000 . 5.000 3.493 3.396 3.560 . 0 0 "[ . 1]" 1
158 1 43 TYR HB3 1 44 GLN H 0.000 . 5.000 3.427 3.203 3.744 . 0 0 "[ . 1]" 1
159 1 44 GLN H 1 44 GLN HA 0.000 . 2.800 2.924 2.874 2.965 0.165 2 0 "[ . 1]" 1
160 1 44 GLN H 1 44 GLN HB3 0.000 . 3.500 2.977 2.276 3.517 0.017 7 0 "[ . 1]" 1
161 1 44 GLN H 1 44 GLN HB2 0.000 . 3.500 2.438 1.978 3.542 0.042 4 0 "[ . 1]" 1
162 1 44 GLN H 1 44 GLN QG 0.000 . 5.000 3.330 2.026 4.068 . 0 0 "[ . 1]" 1
163 1 44 GLN H 1 45 ASP H 0.000 . 2.800 2.392 2.152 2.602 . 0 0 "[ . 1]" 1
164 1 44 GLN HB3 1 44 GLN HE22 0.000 . 5.000 4.134 3.346 5.001 0.001 8 0 "[ . 1]" 1
165 1 44 GLN HB2 1 44 GLN HE22 0.000 . 5.000 4.233 3.335 4.988 . 0 0 "[ . 1]" 1
166 1 44 GLN HE22 1 44 GLN QG 0.000 . 3.500 3.374 3.273 3.480 . 0 0 "[ . 1]" 1
167 1 42 SER HA 1 45 ASP H 0.000 . 5.000 4.390 3.976 4.945 . 0 0 "[ . 1]" 1
168 1 42 SER HB3 1 45 ASP H 0.000 . 3.500 2.293 1.909 2.633 . 0 0 "[ . 1]" 1
169 1 42 SER HB2 1 45 ASP H 0.000 . 3.500 3.412 2.779 3.524 0.024 1 0 "[ . 1]" 1
170 1 44 GLN HA 1 45 ASP H 0.000 . 3.500 3.472 3.260 3.560 0.060 5 0 "[ . 1]" 1
171 1 44 GLN HB3 1 45 ASP H 0.000 . 5.000 3.293 2.304 3.736 . 0 0 "[ . 1]" 1
172 1 44 GLN HB2 1 45 ASP H 0.000 . 5.000 3.438 2.646 4.375 . 0 0 "[ . 1]" 1
173 1 44 GLN QG 1 45 ASP H 0.000 . 5.000 4.033 1.794 4.757 . 0 0 "[ . 1]" 1
174 1 45 ASP H 1 45 ASP HB3 0.000 . 3.500 2.354 2.052 3.126 . 0 0 "[ . 1]" 1
175 1 45 ASP H 1 45 ASP HB2 0.000 . 3.500 2.796 1.929 3.507 0.007 3 0 "[ . 1]" 1
176 1 45 ASP H 1 46 PRO HD3 0.000 . 5.000 4.915 4.811 5.007 0.007 9 0 "[ . 1]" 1
177 1 45 ASP H 1 46 PRO HD2 0.000 . 5.000 4.743 4.663 4.808 . 0 0 "[ . 1]" 1
178 1 46 PRO HA 1 47 SER H 0.000 . 5.000 3.587 3.570 3.602 . 0 0 "[ . 1]" 1
179 1 46 PRO HB3 1 47 SER H 0.000 . 5.000 3.919 3.711 4.081 . 0 0 "[ . 1]" 1
180 1 47 SER H 1 47 SER QB 0.000 . 3.500 2.107 1.968 2.715 . 0 0 "[ . 1]" 1
181 1 47 SER H 1 48 ASN H 0.000 . 3.500 2.846 2.794 2.897 . 0 0 "[ . 1]" 1
182 1 45 ASP QB 1 48 ASN H 0.000 . 5.000 3.650 2.838 4.185 . 0 0 "[ . 1]" 1
183 1 47 SER HA 1 48 ASN H 0.000 . 3.500 3.500 3.486 3.515 0.015 3 0 "[ . 1]" 1
184 1 47 SER QB 1 48 ASN H 0.000 . 5.000 2.933 2.753 3.396 . 0 0 "[ . 1]" 1
185 1 48 ASN H 1 48 ASN HA 0.000 . 2.800 2.847 2.835 2.854 0.054 6 0 "[ . 1]" 1
186 1 48 ASN H 1 48 ASN QB 0.000 . 3.500 2.408 2.199 2.591 . 0 0 "[ . 1]" 1
187 1 48 ASN H 1 49 ALA H 0.000 . 2.800 2.702 2.667 2.728 . 0 0 "[ . 1]" 1
188 1 47 SER HA 1 49 ALA H 0.000 . 5.000 3.408 3.384 3.436 . 0 0 "[ . 1]" 1
189 1 48 ASN HA 1 49 ALA H 0.000 . 5.000 3.392 3.381 3.424 . 0 0 "[ . 1]" 1
190 1 48 ASN QB 1 49 ALA H 0.000 . 5.000 3.341 3.082 3.752 . 0 0 "[ . 1]" 1
191 1 49 ALA H 1 49 ALA HA 0.000 . 2.800 2.840 2.822 2.850 0.050 9 0 "[ . 1]" 1
192 1 49 ALA H 1 49 ALA MB 0.000 . 3.500 2.053 2.042 2.062 . 0 0 "[ . 1]" 1
193 1 49 ALA H 1 50 GLN H 0.000 . 2.800 2.869 2.855 2.886 0.086 8 0 "[ . 1]" 1
194 1 47 SER HA 1 50 GLN H 0.000 . 5.000 4.001 3.844 4.105 . 0 0 "[ . 1]" 1
195 1 49 ALA MB 1 50 GLN H 0.000 . 5.000 2.044 1.952 2.115 . 0 0 "[ . 1]" 1
196 1 50 GLN H 1 51 PHE H 0.000 . 2.800 2.359 2.277 2.441 . 0 0 "[ . 1]" 1
197 1 50 GLN H 1 50 GLN QB 0.000 . 3.500 2.173 2.117 2.213 . 0 0 "[ . 1]" 1
198 1 50 GLN H 1 50 GLN QG 0.000 . 5.000 4.038 3.971 4.088 . 0 0 "[ . 1]" 1
199 1 48 ASN HA 1 51 PHE H 0.000 . 3.500 3.156 2.970 3.466 . 0 0 "[ . 1]" 1
200 1 50 GLN HA 1 51 PHE H 0.000 . 3.500 3.502 3.435 3.535 0.035 6 0 "[ . 1]" 1
201 1 50 GLN QB 1 51 PHE H 0.000 . 3.500 2.817 2.659 3.024 . 0 0 "[ . 1]" 1
202 1 51 PHE H 1 51 PHE HB3 0.000 . 2.800 2.613 2.438 2.704 . 0 0 "[ . 1]" 1
203 1 51 PHE H 1 51 PHE HB2 0.000 . 2.800 2.297 2.198 2.461 . 0 0 "[ . 1]" 1
204 1 51 PHE H 1 51 PHE QD 0.000 . 5.000 4.127 4.098 4.150 . 0 0 "[ . 1]" 1
205 1 51 PHE H 1 52 LEU H 0.000 . 2.800 2.812 2.701 2.876 0.076 1 0 "[ . 1]" 1
206 1 51 PHE HA 1 52 LEU H 0.000 . 3.500 3.567 3.556 3.574 0.074 5 0 "[ . 1]" 1
207 1 51 PHE HB3 1 52 LEU H 0.000 . 3.500 2.030 1.867 2.162 . 0 0 "[ . 1]" 1
208 1 51 PHE HB2 1 52 LEU H 0.000 . 3.500 3.436 3.311 3.514 0.014 2 0 "[ . 1]" 1
209 1 51 PHE QD 1 52 LEU H 0.000 . 5.000 3.150 2.614 3.507 . 0 0 "[ . 1]" 1
210 1 52 LEU H 1 52 LEU HA 0.000 . 2.800 2.828 2.785 2.856 0.056 8 0 "[ . 1]" 1
211 1 52 LEU H 1 52 LEU HB3 0.000 . 2.800 2.889 2.864 2.952 0.152 6 0 "[ . 1]" 1
212 1 52 LEU H 1 52 LEU HB2 0.000 . 2.800 1.927 1.858 1.958 . 0 0 "[ . 1]" 1
213 1 52 LEU H 1 52 LEU MD1 0.000 . 3.500 3.392 3.058 3.517 0.017 9 0 "[ . 1]" 1
214 1 52 LEU H 1 52 LEU MD2 0.000 . 3.500 3.570 3.555 3.583 0.083 8 0 "[ . 1]" 1
215 1 52 LEU H 1 53 GLU H 0.000 . 2.800 2.770 2.672 2.834 0.034 3 0 "[ . 1]" 1
216 1 52 LEU HA 1 53 GLU H 0.000 . 3.500 3.557 3.538 3.573 0.073 6 0 "[ . 1]" 1
217 1 52 LEU HB3 1 53 GLU H 0.000 . 3.500 2.456 2.250 2.578 . 0 0 "[ . 1]" 1
218 1 52 LEU HB2 1 53 GLU H 0.000 . 3.500 3.295 3.089 3.454 . 0 0 "[ . 1]" 1
219 1 53 GLU H 1 53 GLU HA 0.000 . 2.800 2.879 2.852 2.905 0.105 3 0 "[ . 1]" 1
220 1 53 GLU H 1 53 GLU QB 0.000 . 3.500 2.289 1.936 2.540 . 0 0 "[ . 1]" 1
221 1 53 GLU H 1 53 GLU QG 0.000 . 3.500 2.298 1.705 3.541 0.041 1 0 "[ . 1]" 1
222 1 53 GLU H 1 54 SER H 0.000 . 2.800 2.762 2.658 2.816 0.016 5 0 "[ . 1]" 1
223 1 53 GLU HA 1 54 SER H 0.000 . 3.500 3.565 3.555 3.576 0.076 2 0 "[ . 1]" 1
224 1 53 GLU QB 1 54 SER H 0.000 . 3.500 2.544 1.964 3.254 . 0 0 "[ . 1]" 1
225 1 53 GLU QG 1 54 SER H 0.000 . 3.500 2.674 1.685 3.574 0.074 3 0 "[ . 1]" 1
226 1 54 SER H 1 54 SER HA 0.000 . 2.800 2.844 2.819 2.884 0.084 10 0 "[ . 1]" 1
227 1 54 SER H 1 54 SER HB3 0.000 . 3.500 3.110 2.689 3.519 0.019 4 0 "[ . 1]" 1
228 1 54 SER H 1 54 SER HB2 0.000 . 3.500 2.157 1.969 2.670 . 0 0 "[ . 1]" 1
229 1 54 SER H 1 55 ILE H 0.000 . 2.800 2.781 2.657 2.824 0.024 7 0 "[ . 1]" 1
230 1 54 SER HB3 1 55 ILE H 0.000 . 3.500 2.842 2.271 3.522 0.022 2 0 "[ . 1]" 1
231 1 55 ILE H 1 55 ILE HA 0.000 . 2.800 2.821 2.774 2.846 0.046 7 0 "[ . 1]" 1
232 1 54 SER HB2 1 55 ILE H 0.000 . 3.500 3.112 2.149 3.526 0.026 7 0 "[ . 1]" 1
233 1 54 SER HA 1 55 ILE H 0.000 . 3.500 3.564 3.551 3.581 0.081 1 0 "[ . 1]" 1
234 1 55 ILE H 1 55 ILE HB 0.000 . 3.500 2.143 1.954 2.371 . 0 0 "[ . 1]" 1
235 1 55 ILE H 1 55 ILE MD 0.000 . 5.000 3.991 3.693 4.342 . 0 0 "[ . 1]" 1
236 1 55 ILE H 1 55 ILE HG13 0.000 . 3.500 2.804 2.097 3.513 0.013 1 0 "[ . 1]" 1
237 1 55 ILE H 1 55 ILE HG12 0.000 . 3.500 3.161 2.600 3.528 0.028 10 0 "[ . 1]" 1
238 1 55 ILE H 1 55 ILE MG 0.000 . 3.500 3.576 3.366 3.670 0.170 3 0 "[ . 1]" 1
239 1 55 ILE H 1 56 ARG H 0.000 . 2.800 2.749 2.654 2.860 0.060 1 0 "[ . 1]" 1
240 1 54 SER H 1 56 ARG H 0.000 . 5.000 4.240 3.978 4.486 . 0 0 "[ . 1]" 1
241 1 54 SER HA 1 56 ARG H 0.000 . 5.000 4.485 4.240 4.638 . 0 0 "[ . 1]" 1
242 1 55 ILE HA 1 56 ARG H 0.000 . 3.500 3.548 3.532 3.558 0.058 5 0 "[ . 1]" 1
243 1 55 ILE HG13 1 56 ARG H 0.000 . 5.000 4.617 4.216 5.036 0.036 1 0 "[ . 1]" 1
244 1 55 ILE HG12 1 56 ARG H 0.000 . 5.000 4.740 4.519 4.836 . 0 0 "[ . 1]" 1
245 1 55 ILE MG 1 56 ARG H 0.000 . 5.000 2.802 2.157 3.346 . 0 0 "[ . 1]" 1
246 1 56 ARG H 1 56 ARG HA 0.000 . 2.800 2.827 2.801 2.856 0.056 2 0 "[ . 1]" 1
247 1 56 ARG H 1 56 ARG QB 0.000 . 3.500 2.034 1.938 2.116 . 0 0 "[ . 1]" 1
248 1 56 ARG H 1 56 ARG QD 0.000 . 5.000 4.193 3.429 4.663 . 0 0 "[ . 1]" 1
249 1 56 ARG H 1 56 ARG QG 0.000 . 3.500 2.898 2.579 3.524 0.024 6 0 "[ . 1]" 1
250 1 56 ARG H 1 57 ARG H 0.000 . 2.800 2.754 2.598 2.806 0.006 5 0 "[ . 1]" 1
251 1 56 ARG QB 1 56 ARG HE 0.000 . 5.000 3.164 2.259 4.138 . 0 0 "[ . 1]" 1
252 1 56 ARG QD 1 56 ARG HE 0.000 . 2.800 2.432 2.249 2.537 . 0 0 "[ . 1]" 1
253 1 54 SER HA 1 57 ARG H 0.000 . 3.500 3.454 3.234 3.527 0.027 5 0 "[ . 1]" 1
254 1 55 ILE HA 1 57 ARG H 0.000 . 5.000 4.239 3.776 4.736 . 0 0 "[ . 1]" 1
255 1 56 ARG HA 1 57 ARG H 0.000 . 3.500 3.531 3.478 3.561 0.061 4 0 "[ . 1]" 1
256 1 57 ARG H 1 57 ARG HA 0.000 . 2.800 2.908 2.875 2.937 0.137 2 0 "[ . 1]" 1
257 1 57 ARG H 1 57 ARG HB3 0.000 . 3.500 3.255 3.100 3.418 . 0 0 "[ . 1]" 1
258 1 57 ARG H 1 57 ARG HB2 0.000 . 3.500 2.005 1.942 2.056 . 0 0 "[ . 1]" 1
259 1 57 ARG H 1 57 ARG QG 0.000 . 3.500 3.390 2.946 3.510 0.010 5 0 "[ . 1]" 1
260 1 57 ARG H 1 57 ARG QD 0.000 . 5.000 3.988 1.914 4.881 . 0 0 "[ . 1]" 1
261 1 57 ARG H 1 58 GLY H 0.000 . 2.800 2.398 2.222 2.566 . 0 0 "[ . 1]" 1
262 1 57 ARG HE 1 57 ARG HG3 0.000 . 3.500 2.913 2.131 3.515 0.015 6 0 "[ . 1]" 1
263 1 57 ARG HE 1 57 ARG HG2 0.000 . 3.500 2.820 1.949 3.501 0.001 5 0 "[ . 1]" 1
264 1 57 ARG QB 1 57 ARG HE 0.000 . 3.500 2.732 1.832 3.494 . 0 0 "[ . 1]" 1
265 1 57 ARG QD 1 57 ARG HE 0.000 . 2.800 2.521 2.490 2.537 . 0 0 "[ . 1]" 1
266 1 57 ARG HA 1 58 GLY H 0.000 . 3.500 3.457 3.409 3.516 0.016 1 0 "[ . 1]" 1
267 1 57 ARG HB3 1 58 GLY H 0.000 . 3.500 3.446 3.084 3.509 0.009 8 0 "[ . 1]" 1
268 1 57 ARG HB2 1 58 GLY H 0.000 . 3.500 3.279 2.937 3.513 0.013 10 0 "[ . 1]" 1
269 1 58 GLY H 1 58 GLY HA3 0.000 . 2.800 2.922 2.847 2.957 0.157 4 0 "[ . 1]" 1
270 1 58 GLY H 1 58 GLY HA2 0.000 . 2.800 2.580 2.426 2.811 0.011 3 0 "[ . 1]" 1
271 1 57 ARG H 1 59 GLU H 0.000 . 5.000 4.371 3.945 5.120 0.120 2 0 "[ . 1]" 1
272 1 58 GLY HA3 1 59 GLU H 0.000 . 3.500 3.172 2.276 3.562 0.062 9 0 "[ . 1]" 1
273 1 58 GLY HA2 1 59 GLU H 0.000 . 3.500 2.969 2.570 3.515 0.015 7 0 "[ . 1]" 1
274 1 59 GLU H 1 59 GLU QB 0.000 . 3.500 2.804 2.534 3.239 . 0 0 "[ . 1]" 1
275 1 59 GLU H 1 59 GLU QG 0.000 . 5.000 3.012 1.920 4.195 . 0 0 "[ . 1]" 1
276 1 59 GLU H 1 60 VAL H 0.000 . 5.000 4.238 3.561 4.430 . 0 0 "[ . 1]" 1
277 1 26 LEU QD 1 60 VAL H 0.000 . 4.000 3.948 3.462 4.065 0.065 9 0 "[ . 1]" 1
278 1 59 GLU HA 1 60 VAL H 0.000 . 3.500 2.288 2.239 2.371 . 0 0 "[ . 1]" 1
279 1 60 VAL H 1 60 VAL HA 0.000 . 2.800 2.930 2.918 2.956 0.156 6 0 "[ . 1]" 1
280 1 60 VAL H 1 60 VAL HB 0.000 . 3.500 2.600 2.050 3.428 . 0 0 "[ . 1]" 1
281 1 60 VAL H 1 60 VAL QG 0.000 . 3.500 2.378 1.701 3.085 . 0 0 "[ . 1]" 1
282 1 60 VAL H 1 61 PRO QD 0.000 . 5.000 4.010 3.122 4.368 . 0 0 "[ . 1]" 1
283 1 61 PRO HA 1 62 ALA H 0.000 . 3.500 3.369 2.826 3.586 0.086 8 0 "[ . 1]" 1
284 1 61 PRO HB2 1 62 ALA H 0.000 . 5.000 2.590 1.604 3.388 . 0 0 "[ . 1]" 1
285 1 62 ALA H 1 62 ALA MB 0.000 . 3.500 2.118 1.944 2.263 . 0 0 "[ . 1]" 1
286 1 62 ALA H 1 63 GLU H 0.000 . 3.500 2.594 2.278 3.035 . 0 0 "[ . 1]" 1
287 1 62 ALA MB 1 63 GLU H 0.000 . 5.000 2.249 1.943 2.569 . 0 0 "[ . 1]" 1
288 1 62 ALA HA 1 63 GLU H 0.000 . 5.000 3.584 3.562 3.595 . 0 0 "[ . 1]" 1
289 1 63 GLU H 1 63 GLU HB3 0.000 . 3.500 3.007 2.322 3.508 0.008 10 0 "[ . 1]" 1
290 1 63 GLU H 1 63 GLU HB2 0.000 . 3.500 2.135 1.974 2.549 . 0 0 "[ . 1]" 1
291 1 63 GLU H 1 63 GLU QG 0.000 . 5.000 3.497 1.884 4.042 . 0 0 "[ . 1]" 1
292 1 63 GLU H 1 64 LEU H 0.000 . 5.000 2.872 2.685 3.309 . 0 0 "[ . 1]" 1
293 1 60 VAL HA 1 64 LEU H 0.000 . 5.000 5.008 4.902 5.050 0.050 4 0 "[ . 1]" 1
294 1 63 GLU HA 1 64 LEU H 0.000 . 5.000 3.524 3.460 3.633 . 0 0 "[ . 1]" 1
295 1 64 LEU H 1 64 LEU HG 0.000 . 3.500 3.204 1.409 3.703 0.203 9 0 "[ . 1]" 1
296 1 63 GLU HB2 1 64 LEU H 0.000 . 5.000 3.525 2.220 4.247 . 0 0 "[ . 1]" 1
297 1 64 LEU H 1 64 LEU HB3 0.000 . 3.500 2.224 1.898 3.007 . 0 0 "[ . 1]" 1
298 1 64 LEU H 1 64 LEU HB2 0.000 . 3.500 3.416 3.179 3.559 0.059 10 0 "[ . 1]" 1
299 1 64 LEU H 1 64 LEU QD 0.000 . 5.000 2.229 1.565 3.450 . 0 0 "[ . 1]" 1
300 1 64 LEU H 1 65 ARG H 0.000 . 2.800 2.552 2.404 2.783 . 0 0 "[ . 1]" 1
301 1 63 GLU HA 1 65 ARG H 0.000 . 5.000 4.207 3.514 4.546 . 0 0 "[ . 1]" 1
302 1 64 LEU HA 1 65 ARG H 0.000 . 3.500 3.504 3.373 3.561 0.061 3 0 "[ . 1]" 1
303 1 64 LEU HB3 1 65 ARG H 0.000 . 5.000 3.600 2.987 4.209 . 0 0 "[ . 1]" 1
304 1 64 LEU HB2 1 65 ARG H 0.000 . 5.000 3.989 3.386 4.362 . 0 0 "[ . 1]" 1
305 1 64 LEU MD1 1 65 ARG H 0.000 . 5.000 3.231 1.681 4.021 . 0 0 "[ . 1]" 1
306 1 64 LEU MD2 1 65 ARG H 0.000 . 5.000 2.591 1.678 4.172 . 0 0 "[ . 1]" 1
307 1 65 ARG H 1 65 ARG HA 0.000 . 2.800 2.863 2.815 2.940 0.140 7 0 "[ . 1]" 1
308 1 65 ARG H 1 65 ARG QB 0.000 . 3.500 2.114 1.982 2.367 . 0 0 "[ . 1]" 1
309 1 65 ARG H 1 65 ARG QD 0.000 . 5.000 4.275 4.082 4.568 . 0 0 "[ . 1]" 1
310 1 65 ARG H 1 66 ARG H 0.000 . 2.800 2.451 1.972 2.639 . 0 0 "[ . 1]" 1
311 1 66 ARG HD3 1 66 ARG HE 0.000 . 2.800 2.777 2.360 2.836 0.036 5 0 "[ . 1]" 1
312 1 66 ARG HD2 1 66 ARG HE 0.000 . 2.800 2.601 2.365 2.839 0.039 5 0 "[ . 1]" 1
313 1 64 LEU H 1 66 ARG H 0.000 . 5.000 3.852 3.667 4.135 . 0 0 "[ . 1]" 1
314 1 65 ARG HA 1 66 ARG H 0.000 . 3.500 3.484 3.468 3.505 0.005 1 0 "[ . 1]" 1
315 1 66 ARG H 1 66 ARG HA 0.000 . 2.800 2.870 2.861 2.880 0.080 7 0 "[ . 1]" 1
316 1 66 ARG H 1 66 ARG QB 0.000 . 3.500 1.994 1.922 2.123 . 0 0 "[ . 1]" 1
317 1 66 ARG H 1 66 ARG QG 0.000 . 3.500 3.039 2.486 3.516 0.016 1 0 "[ . 1]" 1
318 1 66 ARG H 1 67 LEU H 0.000 . 2.800 2.812 2.719 2.851 0.051 2 0 "[ . 1]" 1
319 1 22 VAL HA 1 67 LEU H 0.000 . 5.000 5.056 5.037 5.094 0.094 5 0 "[ . 1]" 1
320 1 22 VAL QG 1 67 LEU H 0.000 . 5.000 2.445 1.795 2.861 . 0 0 "[ . 1]" 1
321 1 22 VAL HA 1 67 LEU H 0.000 . 3.500 3.447 3.097 3.558 0.058 7 0 "[ . 1]" 1
322 1 65 ARG HA 1 67 LEU H 0.000 . 5.000 4.953 4.800 5.022 0.022 4 0 "[ . 1]" 1
323 1 65 ARG H 1 67 LEU H 0.000 . 5.000 4.543 3.928 4.766 . 0 0 "[ . 1]" 1
324 1 66 ARG HA 1 67 LEU H 0.000 . 3.500 3.574 3.568 3.585 0.085 7 0 "[ . 1]" 1
325 1 67 LEU H 1 67 LEU HA 0.000 . 2.800 2.950 2.947 2.956 0.156 10 0 "[ . 1]" 1
326 1 67 LEU H 1 67 LEU HB3 0.000 . 3.500 3.268 2.831 3.526 0.026 10 0 "[ . 1]" 1
327 1 67 LEU H 1 67 LEU HB2 0.000 . 3.500 2.185 2.116 2.329 . 0 0 "[ . 1]" 1
328 1 66 ARG QB 1 67 LEU H 0.000 . 5.000 2.299 2.174 2.631 . 0 0 "[ . 1]" 1
329 1 66 ARG QG 1 67 LEU H 0.000 . 5.000 3.944 2.030 4.251 . 0 0 "[ . 1]" 1
330 1 67 LEU H 1 67 LEU QD 0.000 . 3.500 3.368 3.049 3.530 0.030 5 0 "[ . 1]" 1
331 1 65 ARG HA 1 68 ALA H 0.000 . 5.000 4.935 4.569 5.024 0.024 10 0 "[ . 1]" 1
332 1 67 LEU HA 1 68 ALA H 0.000 . 3.500 3.562 3.550 3.567 0.067 5 0 "[ . 1]" 1
333 1 67 LEU HB3 1 68 ALA H 0.000 . 3.500 2.704 2.251 3.286 . 0 0 "[ . 1]" 1
334 1 67 LEU HB2 1 68 ALA H 0.000 . 3.500 2.780 2.398 3.327 . 0 0 "[ . 1]" 1
335 1 68 ALA H 1 68 ALA HA 0.000 . 2.800 2.788 2.741 2.859 0.059 3 0 "[ . 1]" 1
336 1 68 ALA H 1 68 ALA MB 0.000 . 3.500 2.004 1.932 2.097 . 0 0 "[ . 1]" 1
337 1 68 ALA H 1 69 HIS H 0.000 . 3.500 3.081 2.769 3.354 . 0 0 "[ . 1]" 1
338 1 68 ALA H 1 73 VAL QG 0.000 . 5.000 2.740 2.439 2.985 . 0 0 "[ . 1]" 1
339 1 22 VAL QG 1 68 ALA H 0.000 . 5.000 2.037 1.713 3.011 . 0 0 "[ . 1]" 1
340 1 67 LEU HA 1 69 HIS H 0.000 . 5.000 4.952 4.620 5.018 0.018 4 0 "[ . 1]" 1
341 1 68 ALA HA 1 69 HIS H 0.000 . 3.500 3.565 3.558 3.568 0.068 7 0 "[ . 1]" 1
342 1 68 ALA MB 1 69 HIS H 0.000 . 5.000 2.163 1.791 2.375 . 0 0 "[ . 1]" 1
343 1 69 HIS H 1 69 HIS HA 0.000 . 2.800 2.376 2.364 2.389 . 0 0 "[ . 1]" 1
344 1 69 HIS H 1 69 HIS QB 0.000 . 3.500 2.992 2.832 3.427 . 0 0 "[ . 1]" 1
345 1 69 HIS H 1 70 GLY H 0.000 . 3.500 2.747 2.578 3.103 . 0 0 "[ . 1]" 1
346 1 70 GLY H 1 70 GLY HA3 0.000 . 2.800 2.848 2.694 2.900 0.100 2 0 "[ . 1]" 1
347 1 70 GLY H 1 70 GLY HA2 0.000 . 2.800 2.795 2.738 2.916 0.116 3 0 "[ . 1]" 1
348 1 69 HIS HA 1 70 GLY H 0.000 . 2.800 2.778 2.523 2.873 0.073 7 0 "[ . 1]" 1
349 1 69 HIS QB 1 70 GLY H 0.000 . 5.000 3.906 3.755 4.008 . 0 0 "[ . 1]" 1
350 1 68 ALA MB 1 71 GLY H 0.000 . 3.500 2.820 2.320 3.266 . 0 0 "[ . 1]" 1
351 1 69 HIS QB 1 71 GLY H 0.000 . 5.000 5.083 5.052 5.115 0.115 3 0 "[ . 1]" 1
352 1 70 GLY HA3 1 71 GLY H 0.000 . 3.500 2.885 2.481 3.419 . 0 0 "[ . 1]" 1
353 1 70 GLY HA2 1 71 GLY H 0.000 . 3.500 3.439 3.089 3.565 0.065 1 0 "[ . 1]" 1
354 1 71 GLY H 1 71 GLY HA3 0.000 . 2.800 2.901 2.848 2.958 0.158 4 0 "[ . 1]" 1
355 1 71 GLY H 1 71 GLY HA2 0.000 . 2.800 2.583 2.346 2.824 0.024 5 0 "[ . 1]" 1
356 1 71 GLY H 1 72 GLN H 0.000 . 5.000 2.458 2.237 2.743 . 0 0 "[ . 1]" 1
357 1 68 ALA MB 1 72 GLN H 0.000 . 5.000 2.088 1.836 2.374 . 0 0 "[ . 1]" 1
358 1 71 GLY HA3 1 72 GLN H 0.000 . 3.500 3.548 3.533 3.560 0.060 6 0 "[ . 1]" 1
359 1 71 GLY HA2 1 72 GLN H 0.000 . 3.500 2.654 2.520 2.795 . 0 0 "[ . 1]" 1
360 1 72 GLN H 1 72 GLN HA 0.000 . 2.800 2.937 2.930 2.941 0.141 5 0 "[ . 1]" 1
361 1 72 GLN H 1 72 GLN QB 0.000 . 2.800 2.645 2.599 2.825 0.025 1 0 "[ . 1]" 1
362 1 72 GLN H 1 72 GLN QG 0.000 . 3.500 3.352 2.839 3.543 0.043 9 0 "[ . 1]" 1
363 1 50 GLN QG 1 72 GLN H 0.000 . 5.000 5.089 5.056 5.116 0.116 9 0 "[ . 1]" 1
364 1 72 GLN H 1 73 VAL H 0.000 . 5.000 3.723 3.541 3.918 . 0 0 "[ . 1]" 1
365 1 72 GLN HA 1 73 VAL H 0.000 . 2.800 2.310 2.252 2.379 . 0 0 "[ . 1]" 1
366 1 72 GLN QG 1 73 VAL H 0.000 . 5.000 4.281 4.051 4.723 . 0 0 "[ . 1]" 1
367 1 73 VAL H 1 73 VAL HA 0.000 . 2.800 2.935 2.931 2.938 0.138 5 0 "[ . 1]" 1
368 1 73 VAL H 1 73 VAL HB 0.000 . 3.500 2.654 2.608 2.743 . 0 0 "[ . 1]" 1
369 1 73 VAL H 1 73 VAL QG 0.000 . 3.500 3.124 3.051 3.163 . 0 0 "[ . 1]" 1
370 1 23 HIS HA 1 74 ASN H 0.000 . 3.500 3.393 3.086 3.531 0.031 5 0 "[ . 1]" 1
371 1 73 VAL HA 1 74 ASN H 0.000 . 2.800 2.318 2.310 2.329 . 0 0 "[ . 1]" 1
372 1 73 VAL HB 1 74 ASN H 0.000 . 5.000 4.183 4.042 4.279 . 0 0 "[ . 1]" 1
373 1 73 VAL H 1 74 ASN H 0.000 . 5.000 4.388 4.376 4.398 . 0 0 "[ . 1]" 1
374 1 73 VAL QG 1 74 ASN H 0.000 . 5.000 2.177 2.013 2.311 . 0 0 "[ . 1]" 1
375 1 74 ASN H 1 74 ASN HB3 0.000 . 3.500 3.270 3.198 3.333 . 0 0 "[ . 1]" 1
376 1 74 ASN H 1 74 ASN HB2 0.000 . 3.500 1.999 1.954 2.058 . 0 0 "[ . 1]" 1
377 1 74 ASN HB3 1 74 ASN HD21 0.000 . 3.500 3.007 2.260 3.540 0.040 4 0 "[ . 1]" 1
378 1 74 ASN HB2 1 74 ASN HD21 0.000 . 3.500 2.704 2.251 3.472 . 0 0 "[ . 1]" 1
379 1 74 ASN HA 1 75 LEU H 0.000 . 2.800 2.268 2.235 2.331 . 0 0 "[ . 1]" 1
380 1 74 ASN H 1 75 LEU H 0.000 . 5.000 4.371 4.150 4.640 . 0 0 "[ . 1]" 1
381 1 74 ASN HB3 1 75 LEU H 0.000 . 5.000 3.890 3.283 4.156 . 0 0 "[ . 1]" 1
382 1 74 ASN HB2 1 75 LEU H 0.000 . 5.000 4.609 4.378 4.664 . 0 0 "[ . 1]" 1
383 1 75 LEU H 1 75 LEU HA 0.000 . 2.800 2.947 2.879 2.965 0.165 2 0 "[ . 1]" 1
384 1 75 LEU H 1 75 LEU HG 0.000 . 5.000 2.846 1.720 4.346 . 0 0 "[ . 1]" 1
385 1 75 LEU H 1 75 LEU HB3 0.000 . 3.500 2.806 2.290 3.325 . 0 0 "[ . 1]" 1
386 1 75 LEU H 1 75 LEU HB2 0.000 . 3.500 3.407 2.162 3.625 0.125 10 0 "[ . 1]" 1
387 1 75 LEU H 1 75 LEU QD 0.000 . 3.500 2.513 1.974 3.586 0.086 4 0 "[ . 1]" 1
388 1 25 VAL HA 1 76 ASP H 0.000 . 3.500 2.385 1.907 3.168 . 0 0 "[ . 1]" 1
389 1 25 VAL QG 1 76 ASP H 0.000 . 5.000 3.508 2.837 4.251 . 0 0 "[ . 1]" 1
390 1 75 LEU QD 1 76 ASP H 0.000 . 5.000 3.457 1.927 4.020 . 0 0 "[ . 1]" 1
391 1 75 LEU HA 1 76 ASP H 0.000 . 2.800 2.329 2.277 2.380 . 0 0 "[ . 1]" 1
392 1 75 LEU HG 1 76 ASP H 0.000 . 5.000 3.529 1.944 4.435 . 0 0 "[ . 1]" 1
393 1 75 LEU H 1 76 ASP H 0.000 . 5.000 4.509 4.401 4.630 . 0 0 "[ . 1]" 1
394 1 75 LEU HB3 1 76 ASP H 0.000 . 5.000 3.980 3.669 4.341 . 0 0 "[ . 1]" 1
395 1 75 LEU HB2 1 76 ASP H 0.000 . 5.000 3.232 2.746 4.202 . 0 0 "[ . 1]" 1
396 1 76 ASP H 1 76 ASP HA 0.000 . 2.800 2.956 2.938 2.968 0.168 5 0 "[ . 1]" 1
397 1 76 ASP H 1 76 ASP QB 0.000 . 3.500 2.377 2.149 2.971 . 0 0 "[ . 1]" 1
398 1 76 ASP HA 1 77 MET H 0.000 . 2.800 2.334 2.222 2.533 . 0 0 "[ . 1]" 1
399 1 76 ASP QB 1 77 MET H 0.000 . 5.000 3.447 2.685 3.985 . 0 0 "[ . 1]" 1
400 1 77 MET H 1 77 MET QB 0.000 . 3.500 2.129 1.955 2.443 . 0 0 "[ . 1]" 1
401 1 77 MET H 1 78 GLU H 0.000 . 5.000 4.468 4.059 4.667 . 0 0 "[ . 1]" 1
402 1 27 LYS HA 1 78 GLU H 0.000 . 3.500 2.315 1.946 2.847 . 0 0 "[ . 1]" 1
403 1 27 LYS QG 1 78 GLU H 0.000 . 5.000 4.608 4.264 5.003 0.003 3 0 "[ . 1]" 1
404 1 77 MET HA 1 78 GLU H 0.000 . 2.800 2.296 2.195 2.442 . 0 0 "[ . 1]" 1
405 1 77 MET QB 1 78 GLU H 0.000 . 5.000 3.341 2.721 3.929 . 0 0 "[ . 1]" 1
406 1 78 GLU H 1 78 GLU HA 0.000 . 2.800 2.930 2.853 2.964 0.164 4 0 "[ . 1]" 1
407 1 78 GLU H 1 78 GLU QB 0.000 . 3.500 2.269 1.934 2.731 . 0 0 "[ . 1]" 1
408 1 78 GLU H 1 78 GLU QG 0.000 . 5.000 3.324 2.717 3.819 . 0 0 "[ . 1]" 1
409 1 27 LYS QB 1 78 GLU H 0.000 . 5.000 3.887 3.494 4.649 . 0 0 "[ . 1]" 1
410 1 78 GLU HA 1 79 ASP H 0.000 . 3.500 2.211 2.204 2.216 . 0 0 "[ . 1]" 1
411 1 78 GLU QB 1 79 ASP H 0.000 . 3.500 3.514 3.501 3.528 0.028 9 0 "[ . 1]" 1
412 1 79 ASP H 1 79 ASP HA 0.000 . 2.800 2.918 2.882 2.947 0.147 7 0 "[ . 1]" 1
413 1 79 ASP H 1 79 ASP HB3 0.000 . 3.500 3.042 2.237 3.379 . 0 0 "[ . 1]" 1
414 1 79 ASP H 1 79 ASP HB2 0.000 . 3.500 2.388 1.952 3.544 0.044 7 0 "[ . 1]" 1
415 1 27 LYS QG 1 80 HIS H 0.000 . 5.000 4.248 3.769 5.032 0.032 4 0 "[ . 1]" 1
416 1 79 ASP HA 1 80 HIS H 0.000 . 2.800 2.246 2.211 2.281 . 0 0 "[ . 1]" 1
417 1 79 ASP QB 1 80 HIS H 0.000 . 5.000 3.689 3.182 4.001 . 0 0 "[ . 1]" 1
418 1 80 HIS H 1 80 HIS HD2 0.000 . 5.000 3.535 2.426 4.865 . 0 0 "[ . 1]" 1
419 1 80 HIS H 1 81 ARG H 0.000 . 2.800 2.699 1.793 2.815 0.015 2 0 "[ . 1]" 1
420 1 30 LYS QB 1 80 HIS H 0.000 . 5.000 4.660 4.222 4.759 . 0 0 "[ . 1]" 1
421 1 30 LYS QG 1 80 HIS H 0.000 . 5.000 3.464 2.756 3.654 . 0 0 "[ . 1]" 1
422 1 27 LYS QG 1 81 ARG HE 0.000 . 5.000 4.937 4.748 5.068 0.068 4 0 "[ . 1]" 1
423 1 81 ARG QB 1 81 ARG HE 0.000 . 3.500 2.844 2.683 3.039 . 0 0 "[ . 1]" 1
424 1 81 ARG HE 1 81 ARG QG 0.000 . 3.500 3.364 3.286 3.426 . 0 0 "[ . 1]" 1
425 1 81 ARG QD 1 81 ARG HE 0.000 . 2.800 2.271 2.254 2.300 . 0 0 "[ . 1]" 1
426 1 81 ARG HA 1 81 ARG HE 0.000 . 5.000 1.676 1.514 1.780 . 0 0 "[ . 1]" 1
427 1 80 HIS HA 1 81 ARG HE 0.000 . 5.000 4.959 4.500 5.053 0.053 4 0 "[ . 1]" 1
428 1 79 ASP HA 1 81 ARG H 0.000 . 5.000 4.195 3.889 4.417 . 0 0 "[ . 1]" 1
429 1 80 HIS HA 1 81 ARG H 0.000 . 3.500 2.722 2.618 3.057 . 0 0 "[ . 1]" 1
430 1 81 ARG H 1 81 ARG HA 0.000 . 2.800 2.891 2.846 2.941 0.141 8 0 "[ . 1]" 1
431 1 81 ARG H 1 81 ARG QB 0.000 . 2.800 2.761 2.697 2.830 0.030 8 0 "[ . 1]" 1
432 1 81 ARG H 1 81 ARG QD 0.000 . 5.000 1.915 1.761 2.108 . 0 0 "[ . 1]" 1
433 1 81 ARG H 1 81 ARG QG 0.000 . 2.800 1.756 1.701 1.808 . 0 0 "[ . 1]" 1
434 1 81 ARG H 1 81 ARG HE 0.000 . 5.000 3.260 3.089 3.424 . 0 0 "[ . 1]" 1
435 1 81 ARG H 1 82 ASP H 0.000 . 2.800 2.608 2.498 2.780 . 0 0 "[ . 1]" 1
436 1 81 ARG HA 1 82 ASP H 0.000 . 3.500 3.542 3.510 3.560 0.060 5 0 "[ . 1]" 1
437 1 81 ARG QB 1 82 ASP H 0.000 . 3.500 2.448 2.036 2.847 . 0 0 "[ . 1]" 1
438 1 81 ARG QG 1 82 ASP H 0.000 . 3.500 3.219 2.897 3.430 . 0 0 "[ . 1]" 1
439 1 82 ASP H 1 82 ASP QB 0.000 . 2.800 2.192 1.935 2.406 . 0 0 "[ . 1]" 1
440 1 82 ASP H 1 83 GLU H 0.000 . 2.800 2.670 2.586 2.796 . 0 0 "[ . 1]" 1
441 1 82 ASP H 1 83 GLU QB 0.000 . 5.000 4.495 4.044 4.802 . 0 0 "[ . 1]" 1
442 1 82 ASP H 1 83 GLU QG 0.000 . 5.000 4.358 3.382 4.986 . 0 0 "[ . 1]" 1
443 1 29 TRP HA 1 83 GLU H 0.000 . 6.000 5.897 5.368 6.037 0.037 4 0 "[ . 1]" 1
444 1 80 HIS HA 1 83 GLU H 0.000 . 5.000 3.709 3.503 4.087 . 0 0 "[ . 1]" 1
445 1 80 HIS QB 1 83 GLU H 0.000 . 5.000 3.817 3.604 4.622 . 0 0 "[ . 1]" 1
446 1 81 ARG HA 1 83 GLU H 0.000 . 5.000 3.559 3.288 3.893 . 0 0 "[ . 1]" 1
447 1 81 ARG HE 1 83 GLU H 0.000 . 5.000 4.870 4.517 5.051 0.051 8 0 "[ . 1]" 1
448 1 81 ARG QB 1 83 GLU H 0.000 . 5.000 4.204 4.040 4.313 . 0 0 "[ . 1]" 1
449 1 81 ARG QG 1 83 GLU H 0.000 . 5.000 4.934 4.563 5.103 0.103 2 0 "[ . 1]" 1
450 1 81 ARG QD 1 83 GLU H 0.000 . 5.000 4.969 4.796 5.043 0.043 7 0 "[ . 1]" 1
451 1 82 ASP QB 1 83 GLU H 0.000 . 3.500 3.208 2.927 3.508 0.008 1 0 "[ . 1]" 1
452 1 83 GLU H 1 83 GLU QB 0.000 . 2.800 2.593 1.993 2.849 0.049 7 0 "[ . 1]" 1
453 1 83 GLU H 1 83 GLU QG 0.000 . 3.500 2.740 2.077 3.503 0.003 6 0 "[ . 1]" 1
454 1 81 ARG HE 1 84 ASP H 0.000 . 5.000 4.994 4.628 5.071 0.071 5 0 "[ . 1]" 1
455 1 83 GLU HA 1 84 ASP H 0.000 . 3.500 3.019 2.536 3.580 0.080 5 0 "[ . 1]" 1
456 1 83 GLU QB 1 84 ASP H 0.000 . 5.000 3.557 2.318 4.092 . 0 0 "[ . 1]" 1
457 1 83 GLU QG 1 84 ASP H 0.000 . 5.000 4.048 3.541 4.569 . 0 0 "[ . 1]" 1
458 1 84 ASP H 1 84 ASP HA 0.000 . 2.800 2.928 2.876 2.963 0.163 6 0 "[ . 1]" 1
459 1 84 ASP H 1 84 ASP HB3 0.000 . 3.500 3.202 2.576 3.538 0.038 7 0 "[ . 1]" 1
460 1 84 ASP H 1 84 ASP HB2 0.000 . 3.500 2.639 2.146 3.508 0.008 2 0 "[ . 1]" 1
461 1 84 ASP H 1 85 PHE H 0.000 . 5.000 4.507 4.349 4.651 . 0 0 "[ . 1]" 1
462 1 84 ASP HA 1 85 PHE H 0.000 . 2.800 2.389 2.228 2.588 . 0 0 "[ . 1]" 1
463 1 84 ASP HB3 1 85 PHE H 0.000 . 5.000 3.150 2.346 4.149 . 0 0 "[ . 1]" 1
464 1 84 ASP HB2 1 85 PHE H 0.000 . 5.000 3.863 2.998 4.465 . 0 0 "[ . 1]" 1
465 1 85 PHE H 1 85 PHE HA 0.000 . 2.800 2.596 2.362 2.871 0.071 4 0 "[ . 1]" 1
466 1 85 PHE H 1 85 PHE HB3 0.000 . 3.500 3.067 2.004 3.520 0.020 7 0 "[ . 1]" 1
467 1 85 PHE H 1 85 PHE HB2 0.000 . 3.500 2.603 1.928 3.360 . 0 0 "[ . 1]" 1
468 1 85 PHE H 1 85 PHE QD 0.000 . 5.000 3.957 3.041 4.164 . 0 0 "[ . 1]" 1
469 1 85 PHE HA 1 86 VAL H 0.000 . 2.800 2.372 2.205 2.720 . 0 0 "[ . 1]" 1
470 1 85 PHE HB3 1 86 VAL H 0.000 . 5.000 4.294 3.969 4.561 . 0 0 "[ . 1]" 1
471 1 85 PHE HB2 1 86 VAL H 0.000 . 5.000 4.498 3.703 4.689 . 0 0 "[ . 1]" 1
472 1 86 VAL H 1 86 VAL HB 0.000 . 3.500 2.706 2.252 3.439 . 0 0 "[ . 1]" 1
473 1 86 VAL HA 1 87 LYS H 0.000 . 2.800 2.362 2.225 2.623 . 0 0 "[ . 1]" 1
474 1 86 VAL QG 1 87 LYS H 0.000 . 3.500 2.745 1.770 3.523 0.023 5 0 "[ . 1]" 1
475 1 86 VAL H 1 87 LYS H 0.000 . 5.000 4.076 2.943 4.663 . 0 0 "[ . 1]" 1
476 1 87 LYS H 1 87 LYS HA 0.000 . 2.800 2.750 2.365 2.897 0.097 5 0 "[ . 1]" 1
477 1 87 LYS H 1 87 LYS QB 0.000 . 2.800 2.180 1.919 2.840 0.040 3 0 "[ . 1]" 1
478 1 87 LYS H 1 87 LYS QG 0.000 . 3.500 2.816 2.205 3.437 . 0 0 "[ . 1]" 1
479 1 22 VAL HB 1 73 VAL QG 0.000 . 3.500 2.512 1.569 3.406 . 0 0 "[ . 1]" 1
480 1 23 HIS HA 1 23 HIS QB 0.000 . 2.800 2.408 2.201 2.549 . 0 0 "[ . 1]" 1
481 1 23 HIS HA 1 23 HIS HD2 0.000 . 3.500 2.854 2.109 3.706 0.206 4 0 "[ . 1]" 1
482 1 23 HIS HA 1 74 ASN HB3 0.000 . 3.500 3.493 3.405 3.523 0.023 10 0 "[ . 1]" 1
483 1 23 HIS HA 1 74 ASN HB2 0.000 . 3.500 3.411 3.201 3.523 0.023 10 0 "[ . 1]" 1
484 1 22 VAL HA 1 23 HIS QB 0.000 . 5.000 4.275 3.889 4.580 . 0 0 "[ . 1]" 1
485 1 22 VAL QG 1 23 HIS QB 0.000 . 5.000 4.258 3.986 4.758 . 0 0 "[ . 1]" 1
486 1 24 VAL HB 1 75 LEU HA 0.000 . 5.000 4.271 3.587 4.829 . 0 0 "[ . 1]" 1
487 1 24 VAL QG 1 75 LEU HA 0.000 . 5.000 3.286 1.831 4.164 . 0 0 "[ . 1]" 1
488 1 26 LEU HB3 1 35 LEU HA 0.000 . 5.000 3.266 1.838 4.315 . 0 0 "[ . 1]" 1
489 1 26 LEU HB2 1 35 LEU HA 0.000 . 5.000 3.491 3.155 3.831 . 0 0 "[ . 1]" 1
490 1 27 LYS QG 1 81 ARG QD 0.000 . 5.000 4.805 4.486 5.009 0.009 7 0 "[ . 1]" 1
491 1 27 LYS QG 1 78 GLU HA 0.000 . 5.000 4.745 4.523 5.012 0.012 1 0 "[ . 1]" 1
492 1 28 LEU HA 1 28 LEU MD1 0.000 . 3.500 2.449 1.841 3.260 . 0 0 "[ . 1]" 1
493 1 28 LEU MD1 1 33 PHE HA 0.000 . 5.000 3.370 2.593 4.432 . 0 0 "[ . 1]" 1
494 1 28 LEU MD1 1 33 PHE HB3 0.000 . 3.500 2.059 1.710 2.613 . 0 0 "[ . 1]" 1
495 1 28 LEU MD1 1 33 PHE HB2 0.000 . 3.500 2.747 1.887 3.518 0.018 9 0 "[ . 1]" 1
496 1 28 LEU MD2 1 33 PHE HB3 0.000 . 5.000 3.608 1.736 4.151 . 0 0 "[ . 1]" 1
497 1 28 LEU MD2 1 33 PHE HB2 0.000 . 5.000 4.646 2.408 5.021 0.021 4 0 "[ . 1]" 1
498 1 29 TRP HB2 1 40 LEU MD1 0.000 . 5.000 2.851 2.462 3.331 . 0 0 "[ . 1]" 1
499 1 29 TRP HD1 1 33 PHE HA 0.000 . 3.500 2.057 1.723 2.676 . 0 0 "[ . 1]" 1
500 1 29 TRP HD1 1 33 PHE HB3 0.000 . 5.000 4.199 3.907 4.719 . 0 0 "[ . 1]" 1
501 1 29 TRP HD1 1 33 PHE HB2 0.000 . 5.000 4.505 4.271 5.020 0.020 3 0 "[ . 1]" 1
502 1 29 TRP HD1 1 40 LEU HB2 0.000 . 5.000 4.918 4.383 5.008 0.008 3 0 "[ . 1]" 1
503 1 29 TRP HD1 1 40 LEU MD1 0.000 . 3.500 2.175 1.939 2.415 . 0 0 "[ . 1]" 1
504 1 29 TRP HD1 1 40 LEU MD2 0.000 . 5.000 4.194 3.575 4.676 . 0 0 "[ . 1]" 1
505 1 29 TRP HD1 1 85 PHE HB3 0.000 . 5.000 4.890 3.707 5.054 0.054 8 0 "[ . 1]" 1
506 1 29 TRP HD1 1 85 PHE HB2 0.000 . 5.000 4.673 4.308 5.056 0.056 1 0 "[ . 1]" 1
507 1 29 TRP HD1 1 85 PHE QD 0.000 . 5.000 4.060 3.253 5.016 0.016 2 0 "[ . 1]" 1
508 1 30 LYS QB 1 31 THR MG 0.000 . 2.800 2.632 2.413 2.860 0.060 8 0 "[ . 1]" 1
509 1 31 THR HA 1 31 THR MG 0.000 . 3.500 3.181 3.164 3.193 . 0 0 "[ . 1]" 1
510 1 31 THR MG 1 40 LEU MD1 0.000 . 5.000 4.848 4.633 5.004 0.004 6 0 "[ . 1]" 1
511 1 31 THR MG 1 40 LEU MD2 0.000 . 5.000 4.481 4.252 5.002 0.002 7 0 "[ . 1]" 1
512 1 32 GLY HA3 1 40 LEU MD1 0.000 . 5.000 2.675 2.397 3.350 . 0 0 "[ . 1]" 1
513 1 32 GLY HA3 1 40 LEU MD2 0.000 . 5.000 3.129 2.147 3.514 . 0 0 "[ . 1]" 1
514 1 32 GLY HA3 1 42 SER HA 0.000 . 3.500 3.130 2.729 3.387 . 0 0 "[ . 1]" 1
515 1 32 GLY HA2 1 40 LEU HG 0.000 . 5.000 4.844 4.537 5.010 0.010 9 0 "[ . 1]" 1
516 1 32 GLY HA2 1 40 LEU MD1 0.000 . 5.000 3.958 3.478 4.732 . 0 0 "[ . 1]" 1
517 1 32 GLY HA2 1 40 LEU MD2 0.000 . 5.000 4.487 3.587 4.885 . 0 0 "[ . 1]" 1
518 1 32 GLY HA2 1 42 SER HA 0.000 . 3.500 3.033 2.766 3.257 . 0 0 "[ . 1]" 1
519 1 28 LEU HA 1 33 PHE HA 0.000 . 3.500 1.961 1.859 2.096 . 0 0 "[ . 1]" 1
520 1 33 PHE HA 1 33 PHE HB3 0.000 . 2.800 2.390 2.293 2.536 . 0 0 "[ . 1]" 1
521 1 33 PHE HA 1 33 PHE HB2 0.000 . 2.800 2.573 2.411 2.703 . 0 0 "[ . 1]" 1
522 1 33 PHE HA 1 40 LEU MD1 0.000 . 5.000 3.683 3.288 4.220 . 0 0 "[ . 1]" 1
523 1 28 LEU QD 1 33 PHE QB 0.000 . 3.500 1.934 1.598 2.488 . 0 0 "[ . 1]" 1
524 1 28 LEU HG 1 33 PHE QD 0.000 . 5.000 3.753 2.549 4.924 . 0 0 "[ . 1]" 1
525 1 28 LEU MD1 1 33 PHE QD 0.000 . 3.500 2.897 1.956 3.506 0.006 2 0 "[ . 1]" 1
526 1 29 TRP HH2 1 34 SER HB3 0.000 . 5.000 5.011 4.960 5.054 0.054 2 0 "[ . 1]" 1
527 1 29 TRP HZ2 1 34 SER HB3 0.000 . 5.000 2.654 2.570 2.790 . 0 0 "[ . 1]" 1
528 1 34 SER HB3 1 40 LEU HA 0.000 . 5.000 4.326 3.162 5.003 0.003 6 0 "[ . 1]" 1
529 1 29 TRP HH2 1 34 SER HB2 0.000 . 5.000 4.978 4.549 5.045 0.045 5 0 "[ . 1]" 1
530 1 29 TRP HZ2 1 34 SER HB2 0.000 . 5.000 2.560 2.086 2.714 . 0 0 "[ . 1]" 1
531 1 34 SER HB2 1 40 LEU HA 0.000 . 5.000 2.958 2.229 4.078 . 0 0 "[ . 1]" 1
532 1 34 SER QB 1 40 LEU MD1 0.000 . 5.000 2.934 2.687 3.376 . 0 0 "[ . 1]" 1
533 1 26 LEU HA 1 35 LEU HA 0.000 . 5.000 2.696 1.904 4.018 . 0 0 "[ . 1]" 1
534 1 35 LEU HA 1 35 LEU HB3 0.000 . 2.800 2.912 2.870 2.960 0.160 9 0 "[ . 1]" 1
535 1 35 LEU HA 1 35 LEU HB2 0.000 . 2.800 2.756 2.658 2.824 0.024 6 0 "[ . 1]" 1
536 1 35 LEU HA 1 35 LEU QD 0.000 . 3.500 2.142 1.709 2.732 . 0 0 "[ . 1]" 1
537 1 35 LEU QD 1 61 PRO QB 0.000 . 5.000 2.996 1.533 5.020 0.020 10 0 "[ . 1]" 1
538 1 26 LEU HA 1 35 LEU MD1 0.000 . 3.500 3.313 2.807 3.512 0.012 5 0 "[ . 1]" 1
539 1 26 LEU HA 1 35 LEU MD2 0.000 . 3.500 2.937 1.981 3.520 0.020 2 0 "[ . 1]" 1
540 1 37 ASN HA 1 37 ASN HB3 0.000 . 2.800 2.674 2.376 2.854 0.054 6 0 "[ . 1]" 1
541 1 37 ASN HA 1 37 ASN HB2 0.000 . 2.800 2.654 2.349 2.850 0.050 10 0 "[ . 1]" 1
542 1 34 SER HA 1 40 LEU HA 0.000 . 5.000 2.631 2.334 2.920 . 0 0 "[ . 1]" 1
543 1 40 LEU HA 1 40 LEU HG 0.000 . 3.500 2.873 2.350 3.210 . 0 0 "[ . 1]" 1
544 1 40 LEU HA 1 40 LEU HB3 0.000 . 2.800 2.977 2.962 2.997 0.197 6 0 "[ . 1]" 1
545 1 40 LEU HA 1 40 LEU MD1 0.000 . 3.500 2.771 2.102 3.492 . 0 0 "[ . 1]" 1
546 1 40 LEU HB3 1 40 LEU MD1 0.000 . 3.500 3.003 2.751 3.175 . 0 0 "[ . 1]" 1
547 1 40 LEU HB2 1 40 LEU MD1 0.000 . 3.500 2.130 1.976 2.315 . 0 0 "[ . 1]" 1
548 1 40 LEU HB2 1 40 LEU MD2 0.000 . 3.500 2.780 2.427 3.102 . 0 0 "[ . 1]" 1
549 1 32 GLY QA 1 40 LEU QD 0.000 . 5.000 2.417 2.106 2.718 . 0 0 "[ . 1]" 1
550 1 34 SER HA 1 40 LEU MD1 0.000 . 5.000 3.674 2.746 4.406 . 0 0 "[ . 1]" 1
551 1 34 SER HB3 1 40 LEU MD1 0.000 . 5.000 4.052 3.611 4.599 . 0 0 "[ . 1]" 1
552 1 34 SER HB2 1 40 LEU MD1 0.000 . 3.500 3.023 2.737 3.474 . 0 0 "[ . 1]" 1
553 1 40 LEU MD1 1 85 PHE HA 0.000 . 5.000 4.532 3.936 5.002 0.002 2 0 "[ . 1]" 1
554 1 40 LEU MD1 1 85 PHE HB3 0.000 . 3.500 3.235 2.669 3.516 0.016 7 0 "[ . 1]" 1
555 1 40 LEU MD1 1 85 PHE HB2 0.000 . 3.500 2.567 2.177 3.121 . 0 0 "[ . 1]" 1
556 1 40 LEU MD1 1 85 PHE QD 0.000 . 5.000 2.100 1.680 2.901 . 0 0 "[ . 1]" 1
557 1 40 LEU MD1 1 40 LEU MD2 0.000 . 2.800 1.992 1.875 2.075 . 0 0 "[ . 1]" 1
558 1 40 LEU MD2 1 85 PHE HA 0.000 . 5.000 4.673 4.016 5.007 0.007 1 0 "[ . 1]" 1
559 1 40 LEU MD2 1 85 PHE HB3 0.000 . 5.000 3.647 1.988 4.952 . 0 0 "[ . 1]" 1
560 1 40 LEU MD2 1 85 PHE HB2 0.000 . 5.000 3.288 1.952 4.081 . 0 0 "[ . 1]" 1
561 1 40 LEU MD2 1 85 PHE QD 0.000 . 5.000 2.580 2.315 3.158 . 0 0 "[ . 1]" 1
562 1 41 ARG HA 1 41 ARG HG3 0.000 . 3.500 2.442 1.969 3.541 0.041 4 0 "[ . 1]" 1
563 1 42 SER HB3 1 45 ASP HB3 0.000 . 3.500 3.323 2.089 3.521 0.021 1 0 "[ . 1]" 1
564 1 42 SER HB3 1 45 ASP HB2 0.000 . 5.000 3.558 1.842 5.000 0.000 4 0 "[ . 1]" 1
565 1 42 SER HB2 1 45 ASP HB3 0.000 . 5.000 3.342 1.950 3.996 . 0 0 "[ . 1]" 1
566 1 42 SER HB2 1 45 ASP HB2 0.000 . 5.000 3.341 2.384 4.117 . 0 0 "[ . 1]" 1
567 1 43 TYR HA 1 43 TYR HB3 0.000 . 2.800 2.789 2.709 2.819 0.019 1 0 "[ . 1]" 1
568 1 43 TYR HB2 1 52 LEU MD2 0.000 . 5.000 4.528 3.882 5.011 0.011 1 0 "[ . 1]" 1
569 1 32 GLY HA3 1 43 TYR QD 0.000 . 5.000 3.580 3.365 4.408 . 0 0 "[ . 1]" 1
570 1 32 GLY HA2 1 43 TYR QD 0.000 . 5.000 1.962 1.773 2.710 . 0 0 "[ . 1]" 1
571 1 43 TYR HA 1 43 TYR QD 0.000 . 3.500 2.654 1.713 2.960 . 0 0 "[ . 1]" 1
572 1 43 TYR HB3 1 43 TYR QD 0.000 . 3.500 2.390 2.313 2.557 . 0 0 "[ . 1]" 1
573 1 43 TYR HB2 1 43 TYR QD 0.000 . 3.500 2.549 2.414 2.785 . 0 0 "[ . 1]" 1
574 1 43 TYR QD 1 52 LEU MD1 0.000 . 3.500 3.316 2.922 3.529 0.029 6 0 "[ . 1]" 1
575 1 43 TYR QD 1 52 LEU MD2 0.000 . 3.500 2.474 1.910 3.507 0.007 6 0 "[ . 1]" 1
576 1 28 LEU HB3 1 43 TYR QE 0.000 . 5.000 4.670 4.017 5.037 0.037 9 0 "[ . 1]" 1
577 1 28 LEU HB2 1 43 TYR QE 0.000 . 5.000 5.019 4.990 5.040 0.040 8 0 "[ . 1]" 1
578 1 28 LEU QD 1 43 TYR QE 0.000 . 3.500 2.176 1.632 2.681 . 0 0 "[ . 1]" 1
579 1 31 THR HA 1 43 TYR QE 0.000 . 5.000 3.999 3.294 4.397 . 0 0 "[ . 1]" 1
580 1 32 GLY HA3 1 43 TYR QE 0.000 . 5.000 4.812 4.399 5.002 0.002 6 0 "[ . 1]" 1
581 1 32 GLY HA2 1 43 TYR QE 0.000 . 5.000 3.601 3.236 3.814 . 0 0 "[ . 1]" 1
582 1 43 TYR HA 1 43 TYR QE 0.000 . 5.000 4.266 4.000 4.369 . 0 0 "[ . 1]" 1
583 1 43 TYR HB3 1 43 TYR QE 0.000 . 5.000 4.440 4.419 4.486 . 0 0 "[ . 1]" 1
584 1 43 TYR HB2 1 43 TYR QE 0.000 . 5.000 4.484 4.452 4.544 . 0 0 "[ . 1]" 1
585 1 43 TYR QE 1 52 LEU QD 0.000 . 3.500 2.307 1.710 3.180 . 0 0 "[ . 1]" 1
586 1 45 ASP HA 1 46 PRO HD3 0.000 . 5.000 2.305 2.208 2.406 . 0 0 "[ . 1]" 1
587 1 45 ASP HA 1 46 PRO HD2 0.000 . 5.000 2.702 2.365 3.246 . 0 0 "[ . 1]" 1
588 1 47 SER HA 1 47 SER QB 0.000 . 2.800 2.367 2.183 2.553 . 0 0 "[ . 1]" 1
589 1 33 PHE QE 1 48 ASN QB 0.000 . 3.500 2.728 1.860 3.519 0.019 4 0 "[ . 1]" 1
590 1 48 ASN QB 1 52 LEU MD1 0.000 . 5.000 3.801 3.301 4.204 . 0 0 "[ . 1]" 1
591 1 48 ASN QB 1 52 LEU MD2 0.000 . 5.000 2.055 1.789 2.692 . 0 0 "[ . 1]" 1
592 1 46 PRO HA 1 49 ALA MB 0.000 . 3.500 3.542 3.516 3.566 0.066 9 0 "[ . 1]" 1
593 1 46 PRO QB 1 49 ALA MB 0.000 . 5.000 3.921 3.687 4.211 . 0 0 "[ . 1]" 1
594 1 50 GLN HA 1 50 GLN QB 0.000 . 2.800 2.465 2.292 2.513 . 0 0 "[ . 1]" 1
595 1 50 GLN HA 1 50 GLN QG 0.000 . 3.500 2.439 2.169 2.676 . 0 0 "[ . 1]" 1
596 1 51 PHE HA 1 51 PHE QE 0.000 . 5.000 4.539 4.414 4.662 . 0 0 "[ . 1]" 1
597 1 51 PHE HB3 1 51 PHE QE 0.000 . 5.000 4.509 4.472 4.534 . 0 0 "[ . 1]" 1
598 1 51 PHE HB2 1 51 PHE QE 0.000 . 5.000 4.424 4.413 4.438 . 0 0 "[ . 1]" 1
599 1 51 PHE QE 1 55 ILE HB 0.000 . 5.000 4.195 3.439 4.693 . 0 0 "[ . 1]" 1
600 1 51 PHE QE 1 55 ILE MD 0.000 . 3.500 2.085 1.766 2.573 . 0 0 "[ . 1]" 1
601 1 51 PHE QE 1 55 ILE MG 0.000 . 3.500 3.001 1.800 3.508 0.008 8 0 "[ . 1]" 1
602 1 41 ARG QD 1 51 PHE QE 0.000 . 5.000 4.155 3.116 4.826 . 0 0 "[ . 1]" 1
603 1 35 LEU QD 1 51 PHE QE 0.000 . 2.800 1.981 1.754 2.450 . 0 0 "[ . 1]" 1
604 1 35 LEU HB3 1 51 PHE QE 0.000 . 5.000 3.720 3.037 4.811 . 0 0 "[ . 1]" 1
605 1 35 LEU HB2 1 51 PHE QE 0.000 . 5.000 2.392 1.996 3.417 . 0 0 "[ . 1]" 1
606 1 51 PHE HA 1 51 PHE QD 0.000 . 3.500 2.974 2.703 3.133 . 0 0 "[ . 1]" 1
607 1 51 PHE QD 1 55 ILE HB 0.000 . 3.500 3.114 2.597 3.397 . 0 0 "[ . 1]" 1
608 1 51 PHE QD 1 55 ILE MD 0.000 . 3.500 2.665 1.824 3.507 0.007 4 0 "[ . 1]" 1
609 1 51 PHE QD 1 55 ILE MG 0.000 . 3.500 3.377 2.756 3.542 0.042 2 0 "[ . 1]" 1
610 1 41 ARG QD 1 51 PHE QD 0.000 . 5.000 3.875 2.574 4.658 . 0 0 "[ . 1]" 1
611 1 35 LEU QD 1 51 PHE QD 0.000 . 3.500 2.938 1.911 3.538 0.038 3 0 "[ . 1]" 1
612 1 35 LEU HB3 1 51 PHE QD 0.000 . 5.000 5.029 5.003 5.057 0.057 10 0 "[ . 1]" 1
613 1 35 LEU HB2 1 51 PHE QD 0.000 . 5.000 4.123 3.828 4.712 . 0 0 "[ . 1]" 1
614 1 35 LEU QD 1 51 PHE HZ 0.000 . 5.000 2.788 1.763 3.800 . 0 0 "[ . 1]" 1
615 1 41 ARG HB2 1 51 PHE HZ 0.000 . 5.000 4.250 3.490 4.848 . 0 0 "[ . 1]" 1
616 1 35 LEU HG 1 51 PHE HZ 0.000 . 5.000 4.137 3.496 5.024 0.024 4 0 "[ . 1]" 1
617 1 51 PHE QD 1 52 LEU HA 0.000 . 5.000 2.884 2.418 3.287 . 0 0 "[ . 1]" 1
618 1 52 LEU HA 1 52 LEU MD1 0.000 . 3.500 1.654 1.617 1.719 . 0 0 "[ . 1]" 1
619 1 52 LEU HA 1 52 LEU MD2 0.000 . 3.500 3.468 3.400 3.574 0.074 6 0 "[ . 1]" 1
620 1 52 LEU HA 1 55 ILE HB 0.000 . 3.500 3.158 2.819 3.503 0.003 1 0 "[ . 1]" 1
621 1 52 LEU HA 1 55 ILE MD 0.000 . 5.000 4.326 3.694 4.956 . 0 0 "[ . 1]" 1
622 1 52 LEU HA 1 52 LEU HB3 0.000 . 2.800 2.922 2.879 2.944 0.144 10 0 "[ . 1]" 1
623 1 43 TYR QB 1 52 LEU QD 0.000 . 5.000 3.330 2.913 3.724 . 0 0 "[ . 1]" 1
624 1 43 TYR HA 1 52 LEU QD 0.000 . 5.000 2.831 1.978 3.668 . 0 0 "[ . 1]" 1
625 1 48 ASN QB 1 52 LEU QD 0.000 . 5.000 2.044 1.787 2.659 . 0 0 "[ . 1]" 1
626 1 55 ILE HA 1 55 ILE HB 0.000 . 2.800 2.950 2.875 2.988 0.188 3 0 "[ . 1]" 1
627 1 55 ILE HA 1 55 ILE MD 0.000 . 3.500 3.244 2.580 3.540 0.040 9 0 "[ . 1]" 1
628 1 55 ILE HA 1 55 ILE HG13 0.000 . 3.500 3.251 2.987 3.521 0.021 3 0 "[ . 1]" 1
629 1 55 ILE HA 1 55 ILE HG12 0.000 . 3.500 2.137 1.915 2.281 . 0 0 "[ . 1]" 1
630 1 55 ILE HA 1 55 ILE MG 0.000 . 3.500 2.612 2.447 2.891 . 0 0 "[ . 1]" 1
631 1 55 ILE HB 1 55 ILE MD 0.000 . 3.500 2.765 2.526 3.094 . 0 0 "[ . 1]" 1
632 1 55 ILE MD 1 55 ILE MG 0.000 . 2.800 1.680 1.546 1.772 . 0 0 "[ . 1]" 1
633 1 55 ILE MD 1 61 PRO HD2 0.000 . 5.000 4.254 3.532 4.969 . 0 0 "[ . 1]" 1
634 1 55 ILE MD 1 61 PRO HD3 0.000 . 5.000 3.461 2.629 4.632 . 0 0 "[ . 1]" 1
635 1 55 ILE MD 1 75 LEU QB 0.000 . 5.000 3.749 3.413 4.424 . 0 0 "[ . 1]" 1
636 1 55 ILE MD 1 75 LEU QD 0.000 . 3.500 2.085 1.618 2.565 . 0 0 "[ . 1]" 1
637 1 55 ILE HA 1 55 ILE MD 0.000 . 3.500 3.099 2.560 3.415 . 0 0 "[ . 1]" 1
638 1 55 ILE HG13 1 55 ILE MG 0.000 . 3.500 3.019 2.698 3.162 . 0 0 "[ . 1]" 1
639 1 55 ILE HG12 1 55 ILE MG 0.000 . 3.500 2.779 2.576 3.091 . 0 0 "[ . 1]" 1
640 1 55 ILE MG 1 61 PRO HD3 0.000 . 5.000 5.029 5.001 5.096 0.096 4 0 "[ . 1]" 1
641 1 55 ILE HA 1 55 ILE MG 0.000 . 3.500 2.609 2.446 2.884 . 0 0 "[ . 1]" 1
642 1 56 ARG HA 1 56 ARG QB 0.000 . 2.800 2.483 2.188 2.542 . 0 0 "[ . 1]" 1
643 1 56 ARG HA 1 56 ARG HG3 0.000 . 3.500 3.028 2.229 3.531 0.031 1 0 "[ . 1]" 1
644 1 56 ARG HA 1 56 ARG HG2 0.000 . 3.500 2.320 1.974 3.534 0.034 6 0 "[ . 1]" 1
645 1 55 ILE MG 1 56 ARG HA 0.000 . 5.000 3.094 2.818 3.510 . 0 0 "[ . 1]" 1
646 1 60 VAL HA 1 61 PRO QD 0.000 . 3.500 1.978 1.911 2.029 . 0 0 "[ . 1]" 1
647 1 60 VAL HA 1 61 PRO HG3 0.000 . 5.000 4.336 4.227 4.406 . 0 0 "[ . 1]" 1
648 1 60 VAL HB 1 61 PRO HD3 0.000 . 5.000 4.628 4.168 4.929 . 0 0 "[ . 1]" 1
649 1 60 VAL QG 1 61 PRO HD3 0.000 . 3.500 3.127 2.694 3.584 0.084 7 0 "[ . 1]" 1
650 1 60 VAL QG 1 61 PRO HD2 0.000 . 3.500 2.170 1.687 3.323 . 0 0 "[ . 1]" 1
651 1 63 GLU HA 1 63 GLU QG 0.000 . 3.500 2.398 1.955 3.078 . 0 0 "[ . 1]" 1
652 1 64 LEU HA 1 64 LEU HB3 0.000 . 2.800 2.653 2.311 2.847 0.047 2 0 "[ . 1]" 1
653 1 64 LEU QB 1 73 VAL QG 0.000 . 3.500 1.765 1.639 2.331 . 0 0 "[ . 1]" 1
654 1 64 LEU HA 1 64 LEU HB2 0.000 . 2.800 2.366 2.264 2.696 . 0 0 "[ . 1]" 1
655 1 61 PRO HD3 1 64 LEU MD1 0.000 . 5.000 4.905 4.616 5.098 0.098 9 0 "[ . 1]" 1
656 1 61 PRO HD2 1 64 LEU MD1 0.000 . 5.000 4.704 3.667 5.154 0.154 8 0 "[ . 1]" 1
657 1 61 PRO HD3 1 64 LEU MD2 0.000 . 5.000 4.448 3.496 5.072 0.072 7 0 "[ . 1]" 1
658 1 61 PRO HD2 1 64 LEU MD2 0.000 . 5.000 4.068 2.942 5.021 0.021 4 0 "[ . 1]" 1
659 1 65 ARG HA 1 65 ARG QB 0.000 . 2.800 2.435 2.212 2.546 . 0 0 "[ . 1]" 1
660 1 65 ARG HA 1 65 ARG QD 0.000 . 5.000 3.802 2.901 4.252 . 0 0 "[ . 1]" 1
661 1 65 ARG HA 1 65 ARG QG 0.000 . 3.500 2.346 1.986 3.310 . 0 0 "[ . 1]" 1
662 1 65 ARG HA 1 68 ALA MB 0.000 . 5.000 3.776 2.936 4.111 . 0 0 "[ . 1]" 1
663 1 65 ARG HA 1 73 VAL QG 0.000 . 5.000 5.105 4.937 5.250 0.250 4 0 "[ . 1]" 1
664 1 68 ALA HA 1 73 VAL QG 0.000 . 5.000 3.469 2.267 4.019 . 0 0 "[ . 1]" 1
665 1 22 VAL QG 1 68 ALA HA 0.000 . 5.000 3.448 2.648 5.029 0.029 10 0 "[ . 1]" 1
666 1 22 VAL QG 1 68 ALA MB 0.000 . 3.500 2.600 2.118 3.556 0.056 10 0 "[ . 1]" 1
667 1 68 ALA MB 1 73 VAL HB 0.000 . 3.500 3.498 3.301 3.548 0.048 5 0 "[ . 1]" 1
668 1 68 ALA MB 1 71 GLY QA 0.000 . 5.000 3.659 3.085 4.003 . 0 0 "[ . 1]" 1
669 1 68 ALA MB 1 73 VAL QG 0.000 . 3.500 1.621 1.548 1.770 . 0 0 "[ . 1]" 1
670 1 68 ALA MB 1 73 VAL HA 0.000 . 5.000 3.622 3.240 4.158 . 0 0 "[ . 1]" 1
671 1 68 ALA MB 1 71 GLY HA3 0.000 . 5.000 4.756 4.316 5.052 0.052 7 0 "[ . 1]" 1
672 1 55 ILE HB 1 75 LEU MD1 0.000 . 5.000 4.291 3.589 5.030 0.030 7 0 "[ . 1]" 1
673 1 61 PRO HD3 1 75 LEU MD1 0.000 . 5.000 3.614 2.015 4.777 . 0 0 "[ . 1]" 1
674 1 61 PRO HD2 1 75 LEU MD1 0.000 . 5.000 4.359 3.355 5.019 0.019 6 0 "[ . 1]" 1
675 1 75 LEU HB2 1 75 LEU MD1 0.000 . 3.500 2.113 1.958 2.250 . 0 0 "[ . 1]" 1
676 1 55 ILE HB 1 75 LEU MD2 0.000 . 5.000 4.928 4.602 5.022 0.022 4 0 "[ . 1]" 1
677 1 61 PRO HD3 1 75 LEU MD2 0.000 . 5.000 4.350 3.511 4.942 . 0 0 "[ . 1]" 1
678 1 61 PRO HD2 1 75 LEU MD2 0.000 . 5.000 5.007 4.939 5.036 0.036 3 0 "[ . 1]" 1
679 1 75 LEU HA 1 75 LEU MD2 0.000 . 3.500 3.470 3.014 3.561 0.061 10 0 "[ . 1]" 1
680 1 75 LEU HB2 1 75 LEU MD2 0.000 . 3.500 3.083 3.011 3.161 . 0 0 "[ . 1]" 1
681 1 25 VAL HA 1 76 ASP HB3 0.000 . 5.000 2.940 1.873 4.755 . 0 0 "[ . 1]" 1
682 1 25 VAL QG 1 76 ASP HB3 0.000 . 5.000 2.668 1.897 4.589 . 0 0 "[ . 1]" 1
683 1 25 VAL HA 1 76 ASP HB2 0.000 . 5.000 3.036 1.809 4.898 . 0 0 "[ . 1]" 1
684 1 25 VAL QG 1 76 ASP HB2 0.000 . 5.000 3.011 1.799 4.461 . 0 0 "[ . 1]" 1
685 1 77 MET HA 1 77 MET QB 0.000 . 2.800 2.500 2.399 2.546 . 0 0 "[ . 1]" 1
686 1 77 MET HA 1 77 MET ME 0.000 . 5.000 3.675 3.065 4.487 . 0 0 "[ . 1]" 1
687 1 26 LEU QD 1 77 MET QG 0.000 . 5.000 3.158 1.743 4.763 . 0 0 "[ . 1]" 1
688 1 26 LEU QD 1 77 MET ME 0.000 . 3.500 2.970 1.862 3.464 . 0 0 "[ . 1]" 1
689 1 55 ILE MD 1 77 MET ME 0.000 . 3.500 2.735 1.980 3.483 . 0 0 "[ . 1]" 1
690 1 55 ILE MG 1 77 MET ME 0.000 . 3.500 2.141 1.596 3.072 . 0 0 "[ . 1]" 1
691 1 77 MET ME 1 77 MET QG 0.000 . 3.500 2.101 1.888 2.181 . 0 0 "[ . 1]" 1
692 1 55 ILE HA 1 77 MET ME 0.000 . 5.000 4.260 3.783 4.994 . 0 0 "[ . 1]" 1
693 1 56 ARG HA 1 77 MET ME 0.000 . 5.000 4.349 3.484 5.000 0.000 5 0 "[ . 1]" 1
694 1 78 GLU QB 1 80 HIS HD2 0.000 . 3.500 2.196 1.838 3.458 . 0 0 "[ . 1]" 1
695 1 27 LYS QG 1 78 GLU QG 0.000 . 5.000 4.831 4.159 5.022 0.022 2 0 "[ . 1]" 1
696 1 78 GLU HA 1 78 GLU QG 0.000 . 3.500 2.442 1.948 2.965 . 0 0 "[ . 1]" 1
697 1 78 GLU QG 1 80 HIS HD2 0.000 . 5.000 3.811 2.643 5.000 0.000 4 0 "[ . 1]" 1
698 1 29 TRP HA 1 80 HIS QB 0.000 . 5.000 4.520 3.100 5.047 0.047 4 0 "[ . 1]" 1
699 1 80 HIS QB 1 83 GLU QB 0.000 . 5.000 3.455 1.880 4.400 . 0 0 "[ . 1]" 1
700 1 27 LYS HA 1 80 HIS HD2 0.000 . 5.000 4.361 3.596 5.006 0.006 8 0 "[ . 1]" 1
701 1 27 LYS QB 1 80 HIS HD2 0.000 . 5.000 3.870 3.224 4.325 . 0 0 "[ . 1]" 1
702 1 29 TRP HA 1 81 ARG HA 0.000 . 6.000 3.410 2.803 4.008 . 0 0 "[ . 1]" 1
703 1 30 LYS HA 1 81 ARG HA 0.000 . 6.000 4.291 2.794 5.116 . 0 0 "[ . 1]" 1
704 1 81 ARG HA 1 81 ARG QB 0.000 . 2.800 2.227 2.203 2.244 . 0 0 "[ . 1]" 1
705 1 81 ARG HA 1 81 ARG QD 0.000 . 5.000 2.971 2.889 3.157 . 0 0 "[ . 1]" 1
706 1 81 ARG HA 1 81 ARG QG 0.000 . 3.500 3.325 3.289 3.361 . 0 0 "[ . 1]" 1
707 1 85 PHE HA 1 86 VAL HB 0.000 . 5.000 4.593 4.058 4.949 . 0 0 "[ . 1]" 1
708 1 85 PHE HA 1 86 VAL MG2 0.000 . 5.000 4.019 3.465 4.793 . 0 0 "[ . 1]" 1
709 1 29 TRP HE1 1 85 PHE QD 0.000 . 5.000 4.770 3.774 5.055 0.055 7 0 "[ . 1]" 1
710 1 40 LEU HG 1 85 PHE QD 0.000 . 5.000 4.112 3.557 4.748 . 0 0 "[ . 1]" 1
711 1 85 PHE HA 1 86 VAL HA 0.000 . 5.000 4.530 4.411 4.708 . 0 0 "[ . 1]" 1
712 1 86 VAL HA 1 86 VAL MG1 0.000 . 3.500 2.467 2.128 2.923 . 0 0 "[ . 1]" 1
713 1 86 VAL HA 1 86 VAL MG2 0.000 . 3.500 2.252 2.118 2.435 . 0 0 "[ . 1]" 1
714 1 87 LYS HA 1 87 LYS QB 0.000 . 2.800 2.426 2.181 2.546 . 0 0 "[ . 1]" 1
715 1 87 LYS HA 1 87 LYS QG 0.000 . 3.500 2.480 1.971 3.312 . 0 0 "[ . 1]" 1
716 1 86 VAL HA 1 87 LYS QB 0.000 . 5.000 4.261 4.004 4.546 . 0 0 "[ . 1]" 1
717 1 86 VAL HA 1 87 LYS QG 0.000 . 5.000 4.600 3.639 5.045 0.045 1 0 "[ . 1]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 42
_Distance_constraint_stats_list.Viol_count 119
_Distance_constraint_stats_list.Viol_total 42.586
_Distance_constraint_stats_list.Viol_max 0.129
_Distance_constraint_stats_list.Viol_rms 0.0225
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0101
_Distance_constraint_stats_list.Viol_average_violations_only 0.0358
_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 22 VAL 0.139 0.037 7 0 "[ . 1]"
1 24 VAL 0.080 0.025 7 0 "[ . 1]"
1 26 LEU 0.012 0.009 5 0 "[ . 1]"
1 27 LYS 0.173 0.078 4 0 "[ . 1]"
1 28 LEU 0.397 0.070 4 0 "[ . 1]"
1 29 TRP 0.949 0.122 5 0 "[ . 1]"
1 32 GLY 0.949 0.122 5 0 "[ . 1]"
1 33 PHE 0.093 0.027 2 0 "[ . 1]"
1 34 SER 0.173 0.078 4 0 "[ . 1]"
1 41 ARG 0.093 0.027 2 0 "[ . 1]"
1 47 SER 0.178 0.043 1 0 "[ . 1]"
1 48 ASN 0.000 0.000 . 0 "[ . 1]"
1 49 ALA 0.337 0.047 8 0 "[ . 1]"
1 50 GLN 0.139 0.053 9 0 "[ . 1]"
1 51 PHE 0.324 0.045 6 0 "[ . 1]"
1 52 LEU 0.194 0.043 1 0 "[ . 1]"
1 53 GLU 0.647 0.074 2 0 "[ . 1]"
1 54 SER 0.139 0.053 9 0 "[ . 1]"
1 55 ILE 0.146 0.045 6 0 "[ . 1]"
1 56 ARG 0.194 0.043 1 0 "[ . 1]"
1 57 ARG 0.310 0.074 2 0 "[ . 1]"
1 62 ALA 0.811 0.129 7 0 "[ . 1]"
1 63 GLU 0.299 0.077 10 0 "[ . 1]"
1 66 ARG 0.811 0.129 7 0 "[ . 1]"
1 67 LEU 0.299 0.077 10 0 "[ . 1]"
1 74 ASN 0.161 0.037 7 0 "[ . 1]"
1 76 ASP 0.062 0.025 7 0 "[ . 1]"
1 78 GLU 0.406 0.070 4 0 "[ . 1]"
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 27 LYS O 1 34 SER N 0.000 . 3.300 2.715 2.523 2.982 . 0 0 "[ . 1]" 2
2 1 27 LYS O 1 34 SER H 0.000 . 2.300 1.924 1.604 2.285 . 0 0 "[ . 1]" 2
3 1 27 LYS N 1 34 SER O 0.000 . 3.300 3.133 2.929 3.284 . 0 0 "[ . 1]" 2
4 1 27 LYS H 1 34 SER O 0.000 . 2.300 2.280 2.114 2.378 0.078 4 0 "[ . 1]" 2
5 1 29 TRP O 1 32 GLY N 0.000 . 3.300 3.279 3.237 3.318 0.018 2 0 "[ . 1]" 2
6 1 29 TRP O 1 32 GLY H 0.000 . 2.300 2.391 2.371 2.422 0.122 5 0 "[ . 1]" 2
7 1 29 TRP N 1 32 GLY O 0.000 . 3.300 2.206 2.128 2.295 . 0 0 "[ . 1]" 2
8 1 29 TRP H 1 32 GLY O 0.000 . 2.300 1.348 1.226 1.437 . 0 0 "[ . 1]" 2
9 1 33 PHE O 1 41 ARG N 0.000 . 3.300 2.926 2.709 3.082 . 0 0 "[ . 1]" 2
10 1 33 PHE O 1 41 ARG H 0.000 . 2.300 2.063 1.847 2.210 . 0 0 "[ . 1]" 2
11 1 33 PHE N 1 41 ARG O 0.000 . 3.300 3.022 2.865 3.109 . 0 0 "[ . 1]" 2
12 1 33 PHE H 1 41 ARG O 0.000 . 2.300 2.284 2.149 2.327 0.027 2 0 "[ . 1]" 2
13 1 22 VAL O 1 74 ASN N 0.000 . 3.500 3.315 3.067 3.407 . 0 0 "[ . 1]" 2
14 1 22 VAL O 1 74 ASN H 0.000 . 2.500 2.466 2.272 2.537 0.037 7 0 "[ . 1]" 2
15 1 24 VAL N 1 74 ASN O 0.000 . 3.500 3.260 3.123 3.462 . 0 0 "[ . 1]" 2
16 1 24 VAL H 1 74 ASN O 0.000 . 2.500 2.370 2.211 2.515 0.015 4 0 "[ . 1]" 2
17 1 24 VAL O 1 76 ASP N 0.000 . 3.500 2.966 2.599 3.371 . 0 0 "[ . 1]" 2
18 1 24 VAL O 1 76 ASP H 0.000 . 2.500 2.179 1.863 2.525 0.025 7 0 "[ . 1]" 2
19 1 26 LEU N 1 76 ASP O 0.000 . 3.500 2.702 2.365 3.207 . 0 0 "[ . 1]" 2
20 1 26 LEU H 1 76 ASP O 0.000 . 2.500 1.930 1.474 2.503 0.003 1 0 "[ . 1]" 2
21 1 26 LEU O 1 78 GLU N 0.000 . 3.500 2.789 2.427 3.247 . 0 0 "[ . 1]" 2
22 1 26 LEU O 1 78 GLU H 0.000 . 2.500 2.095 1.468 2.509 0.009 5 0 "[ . 1]" 2
23 1 28 LEU N 1 78 GLU O 0.000 . 3.500 3.473 3.363 3.511 0.011 10 0 "[ . 1]" 2
24 1 28 LEU H 1 78 GLU O 0.000 . 2.500 2.537 2.519 2.570 0.070 4 0 "[ . 1]" 2
25 1 47 SER O 1 51 PHE N 0.000 . 3.300 3.185 2.849 3.302 0.002 1 0 "[ . 1]" 2
26 1 47 SER O 1 51 PHE H 0.000 . 2.300 2.264 1.948 2.343 0.043 1 0 "[ . 1]" 2
27 1 48 ASN O 1 52 LEU N 0.000 . 3.300 2.671 2.529 2.811 . 0 0 "[ . 1]" 2
28 1 48 ASN O 1 52 LEU H 0.000 . 2.300 1.855 1.695 2.023 . 0 0 "[ . 1]" 2
29 1 49 ALA O 1 53 GLU N 0.000 . 3.300 3.168 3.110 3.243 . 0 0 "[ . 1]" 2
30 1 49 ALA O 1 53 GLU H 0.000 . 2.300 2.334 2.321 2.347 0.047 8 0 "[ . 1]" 2
31 1 50 GLN O 1 54 SER N 0.000 . 3.300 2.824 2.418 3.101 . 0 0 "[ . 1]" 2
32 1 50 GLN O 1 54 SER H 0.000 . 2.300 2.159 1.540 2.353 0.053 9 0 "[ . 1]" 2
33 1 51 PHE O 1 55 ILE N 0.000 . 3.300 2.861 2.425 3.117 . 0 0 "[ . 1]" 2
34 1 51 PHE O 1 55 ILE H 0.000 . 2.300 2.075 1.593 2.345 0.045 6 0 "[ . 1]" 2
35 1 52 LEU O 1 56 ARG N 0.000 . 3.300 3.172 2.987 3.267 . 0 0 "[ . 1]" 2
36 1 52 LEU O 1 56 ARG H 0.000 . 2.300 2.302 2.131 2.343 0.043 1 0 "[ . 1]" 2
37 1 53 GLU O 1 57 ARG N 0.000 . 3.300 3.191 2.995 3.278 . 0 0 "[ . 1]" 2
38 1 53 GLU O 1 57 ARG H 0.000 . 2.300 2.331 2.307 2.374 0.074 2 0 "[ . 1]" 2
39 1 62 ALA O 1 66 ARG N 0.000 . 3.300 3.193 2.700 3.313 0.013 7 0 "[ . 1]" 2
40 1 62 ALA O 1 66 ARG H 0.000 . 2.300 2.340 1.904 2.429 0.129 7 0 "[ . 1]" 2
41 1 63 GLU O 1 67 LEU N 0.000 . 3.300 3.192 2.834 3.321 0.021 9 0 "[ . 1]" 2
42 1 63 GLU O 1 67 LEU H 0.000 . 2.300 2.246 1.865 2.377 0.077 10 0 "[ . 1]" 2
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