NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
532560 |
2lpb   |
18244 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lpb
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 492
_Distance_constraint_stats_list.Viol_count 343
_Distance_constraint_stats_list.Viol_total 395.981
_Distance_constraint_stats_list.Viol_max 0.759
_Distance_constraint_stats_list.Viol_rms 0.0296
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0048
_Distance_constraint_stats_list.Viol_average_violations_only 0.0888
_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 3 ARG 0.000 0.000 . 0 "[ . 1 ]"
1 4 GLN 0.524 0.156 10 0 "[ . 1 ]"
1 5 LEU 2.212 0.194 10 0 "[ . 1 ]"
1 6 THR 2.827 0.198 13 0 "[ . 1 ]"
1 7 PRO 0.000 0.000 . 0 "[ . 1 ]"
1 8 GLN 0.000 0.000 . 0 "[ . 1 ]"
1 9 GLN 0.963 0.133 3 0 "[ . 1 ]"
1 10 GLN 3.199 0.198 13 0 "[ . 1 ]"
1 11 GLN 0.101 0.063 6 0 "[ . 1 ]"
1 12 LEU 1.265 0.149 3 0 "[ . 1 ]"
1 13 VAL 1.394 0.149 3 0 "[ . 1 ]"
1 14 ASN 0.367 0.073 5 0 "[ . 1 ]"
1 15 GLN 0.350 0.071 13 0 "[ . 1 ]"
1 16 MET 0.569 0.112 3 0 "[ . 1 ]"
1 17 LYS 0.563 0.125 12 0 "[ . 1 ]"
1 18 VAL 0.860 0.108 11 0 "[ . 1 ]"
1 19 ALA 1.423 0.125 12 0 "[ . 1 ]"
1 20 PRO 4.931 0.374 10 0 "[ . 1 ]"
1 21 ILE 0.858 0.078 11 0 "[ . 1 ]"
1 22 PRO 1.390 0.184 4 0 "[ . 1 ]"
1 23 LYS 1.377 0.184 4 0 "[ . 1 ]"
1 24 GLN 0.013 0.013 8 0 "[ . 1 ]"
1 25 LEU 0.766 0.152 7 0 "[ . 1 ]"
1 26 LEU 0.105 0.073 12 0 "[ . 1 ]"
1 27 GLN 0.000 0.000 . 0 "[ . 1 ]"
1 28 ARG 0.272 0.146 8 0 "[ . 1 ]"
1 29 ILE 0.100 0.049 11 0 "[ . 1 ]"
1 30 PRO 0.000 0.000 . 0 "[ . 1 ]"
1 31 ASN 0.000 0.000 . 0 "[ . 1 ]"
1 32 ILE 0.607 0.123 4 0 "[ . 1 ]"
1 33 PRO 0.000 0.000 . 0 "[ . 1 ]"
1 34 PRO 0.000 0.000 . 0 "[ . 1 ]"
1 35 ASN 0.000 0.000 . 0 "[ . 1 ]"
1 36 ILE 0.477 0.071 8 0 "[ . 1 ]"
1 37 ASN 0.292 0.119 11 0 "[ . 1 ]"
1 38 THR 0.756 0.119 11 0 "[ . 1 ]"
1 39 TRP 0.166 0.048 4 0 "[ . 1 ]"
1 40 GLN 0.000 0.000 . 0 "[ . 1 ]"
1 41 GLN 0.000 0.000 . 0 "[ . 1 ]"
1 42 VAL 3.942 0.374 10 0 "[ . 1 ]"
1 43 THR 0.000 0.000 . 0 "[ . 1 ]"
1 44 ALA 0.000 0.000 . 0 "[ . 1 ]"
1 45 LEU 0.124 0.054 10 0 "[ . 1 ]"
1 46 ALA 0.078 0.054 10 0 "[ . 1 ]"
1 47 GLN 0.000 0.000 . 0 "[ . 1 ]"
1 48 GLN 0.052 0.032 5 0 "[ . 1 ]"
1 49 LYS 0.065 0.032 5 0 "[ . 1 ]"
1 50 LEU 0.005 0.005 6 0 "[ . 1 ]"
1 51 LEU 1.625 0.166 8 0 "[ . 1 ]"
1 52 THR 0.069 0.060 11 0 "[ . 1 ]"
1 53 PRO 0.000 0.000 . 0 "[ . 1 ]"
1 54 GLN 0.180 0.087 4 0 "[ . 1 ]"
1 55 ASP 1.781 0.254 1 0 "[ . 1 ]"
1 56 MET 0.465 0.254 1 0 "[ . 1 ]"
1 57 GLU 0.045 0.045 6 0 "[ . 1 ]"
1 58 ALA 0.532 0.245 8 0 "[ . 1 ]"
1 59 ALA 1.487 0.162 2 0 "[ . 1 ]"
1 60 LYS 1.393 0.162 2 0 "[ . 1 ]"
1 61 GLU 4.535 0.759 7 3 "[ - . + * ]"
1 62 VAL 0.000 0.000 . 0 "[ . 1 ]"
1 63 TYR 0.300 0.112 3 0 "[ . 1 ]"
1 64 LYS 0.000 0.000 . 0 "[ . 1 ]"
1 65 ILE 3.751 0.759 7 3 "[ - . + * ]"
1 66 HIS 0.172 0.040 13 0 "[ . 1 ]"
1 67 GLN 0.038 0.026 12 0 "[ . 1 ]"
1 68 GLN 0.715 0.152 7 0 "[ . 1 ]"
1 69 LEU 0.303 0.090 3 0 "[ . 1 ]"
1 70 LEU 0.043 0.027 2 0 "[ . 1 ]"
1 71 PHE 2.749 0.210 2 0 "[ . 1 ]"
1 72 LYS 0.017 0.016 5 0 "[ . 1 ]"
1 73 ALA 0.250 0.090 3 0 "[ . 1 ]"
1 74 ARG 0.048 0.031 8 0 "[ . 1 ]"
1 75 LEU 0.000 0.000 . 0 "[ . 1 ]"
1 76 GLN 0.047 0.041 3 0 "[ . 1 ]"
1 77 GLN 0.047 0.041 3 0 "[ . 1 ]"
1 78 GLN 0.000 0.000 . 0 "[ . 1 ]"
1 79 GLN 0.000 0.000 . 0 "[ . 1 ]"
1 80 ALA 0.000 0.000 . 0 "[ . 1 ]"
1 81 GLN 0.000 0.000 . 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 3 ARG H 1 3 ARG QG 3.400 . 5.000 3.472 2.231 4.284 . 0 0 "[ . 1 ]" 1
2 1 3 ARG HA 1 4 GLN H 3.400 . 3.700 2.645 2.139 3.560 . 0 0 "[ . 1 ]" 1
3 1 3 ARG QB 1 4 GLN H 3.400 . 5.000 3.364 2.269 4.023 . 0 0 "[ . 1 ]" 1
4 1 4 GLN H 1 4 GLN QB 3.400 . 4.100 2.571 2.149 3.156 . 0 0 "[ . 1 ]" 1
5 1 4 GLN H 1 4 GLN QG 3.400 . 5.000 3.265 2.084 4.299 . 0 0 "[ . 1 ]" 1
6 1 4 GLN HA 1 5 LEU H 3.400 . 3.700 2.273 2.112 2.571 . 0 0 "[ . 1 ]" 1
7 1 4 GLN QB 1 5 LEU H 2.750 . 3.650 3.025 2.034 3.806 0.156 10 0 "[ . 1 ]" 1
8 1 4 GLN QG 1 5 LEU H 2.750 . 3.650 3.416 2.111 3.746 0.096 3 0 "[ . 1 ]" 1
9 1 5 LEU H 1 5 LEU QB 3.400 . 3.700 2.910 2.387 3.406 . 0 0 "[ . 1 ]" 1
10 1 5 LEU H 1 5 LEU QD 2.750 . 3.650 3.305 2.955 3.844 0.194 10 0 "[ . 1 ]" 1
11 1 5 LEU H 1 6 THR H 2.750 . 3.650 3.440 2.452 3.739 0.089 11 0 "[ . 1 ]" 1
12 1 5 LEU H 1 6 THR MG 3.400 . 5.000 4.567 3.816 5.154 0.154 13 0 "[ . 1 ]" 1
13 1 5 LEU HA 1 5 LEU HG 3.400 . 5.000 3.076 2.887 3.640 . 0 0 "[ . 1 ]" 1
14 1 5 LEU QB 1 6 THR H 2.750 . 3.650 3.217 1.759 3.821 0.171 7 0 "[ . 1 ]" 1
15 1 5 LEU QB 1 10 GLN H 3.400 . 5.000 4.709 3.829 5.046 0.046 5 0 "[ . 1 ]" 1
16 1 6 THR H 1 6 THR HB 3.400 . 5.000 3.483 2.742 3.776 . 0 0 "[ . 1 ]" 1
17 1 6 THR H 1 6 THR MG 3.400 . 3.700 2.660 1.894 3.577 . 0 0 "[ . 1 ]" 1
18 1 6 THR H 1 7 PRO QD 3.400 . 5.000 4.339 4.205 4.413 . 0 0 "[ . 1 ]" 1
19 1 6 THR H 1 9 GLN H 3.400 . 5.000 4.333 3.730 4.879 . 0 0 "[ . 1 ]" 1
20 1 6 THR HA 1 6 THR MG 3.400 . 4.200 2.378 2.122 3.200 . 0 0 "[ . 1 ]" 1
21 1 6 THR HA 1 8 GLN H 3.400 . 5.000 4.126 3.793 4.465 . 0 0 "[ . 1 ]" 1
22 1 6 THR MG 1 10 GLN H 3.400 . 5.000 5.031 3.917 5.198 0.198 13 0 "[ . 1 ]" 1
23 1 7 PRO HA 1 8 GLN H 3.400 . 5.000 3.530 3.454 3.568 . 0 0 "[ . 1 ]" 1
24 1 7 PRO HA 1 10 GLN H 3.400 . 5.000 3.751 3.248 3.991 . 0 0 "[ . 1 ]" 1
25 1 7 PRO HA 1 11 GLN H 3.400 . 5.000 4.267 3.959 4.720 . 0 0 "[ . 1 ]" 1
26 1 7 PRO QB 1 8 GLN H 2.750 . 3.650 2.982 2.384 3.383 . 0 0 "[ . 1 ]" 1
27 1 7 PRO QD 1 8 GLN H 2.750 . 3.650 2.965 2.697 3.277 . 0 0 "[ . 1 ]" 1
28 1 8 GLN H 1 8 GLN QB 3.400 . 3.700 2.384 2.223 2.642 . 0 0 "[ . 1 ]" 1
29 1 8 GLN H 1 9 GLN H 3.400 . 3.700 2.635 2.545 2.826 . 0 0 "[ . 1 ]" 1
30 1 8 GLN H 1 10 GLN H 3.400 . 5.000 4.004 3.809 4.252 . 0 0 "[ . 1 ]" 1
31 1 8 GLN HA 1 9 GLN H 3.400 . 5.000 3.550 3.493 3.571 . 0 0 "[ . 1 ]" 1
32 1 8 GLN HA 1 10 GLN H 3.400 . 5.000 4.587 4.370 4.791 . 0 0 "[ . 1 ]" 1
33 1 8 GLN QB 1 9 GLN H 2.750 . 3.650 2.563 2.439 2.797 . 0 0 "[ . 1 ]" 1
34 1 8 GLN QB 1 10 GLN H 3.400 . 5.000 4.652 4.453 4.899 . 0 0 "[ . 1 ]" 1
35 1 9 GLN H 1 9 GLN QB 2.750 . 3.650 2.310 2.176 2.456 . 0 0 "[ . 1 ]" 1
36 1 9 GLN H 1 9 GLN QG 2.750 . 3.650 2.673 2.355 3.640 . 0 0 "[ . 1 ]" 1
37 1 9 GLN H 1 10 GLN H 3.400 . 3.700 2.455 2.399 2.521 . 0 0 "[ . 1 ]" 1
38 1 9 GLN H 1 10 GLN HA 3.400 . 5.000 5.074 5.036 5.133 0.133 3 0 "[ . 1 ]" 1
39 1 9 GLN HA 1 10 GLN H 3.400 . 5.000 3.517 3.482 3.547 . 0 0 "[ . 1 ]" 1
40 1 9 GLN HA 1 11 GLN H 3.400 . 5.000 4.121 3.911 4.387 . 0 0 "[ . 1 ]" 1
41 1 9 GLN HA 1 12 LEU H 3.400 . 5.000 3.401 3.051 3.714 . 0 0 "[ . 1 ]" 1
42 1 9 GLN QB 1 10 GLN H 2.750 . 3.650 2.658 2.476 2.843 . 0 0 "[ . 1 ]" 1
43 1 10 GLN H 1 10 GLN QB 3.400 . 3.700 2.226 2.073 2.484 . 0 0 "[ . 1 ]" 1
44 1 10 GLN H 1 10 GLN QG 2.750 . 3.650 3.036 2.234 3.834 0.184 5 0 "[ . 1 ]" 1
45 1 10 GLN H 1 11 GLN H 3.400 . 3.700 2.734 2.496 2.858 . 0 0 "[ . 1 ]" 1
46 1 10 GLN H 1 12 LEU H 3.400 . 5.000 4.158 3.979 4.444 . 0 0 "[ . 1 ]" 1
47 1 10 GLN H 1 13 VAL QG 3.400 . 5.000 4.332 3.704 4.885 . 0 0 "[ . 1 ]" 1
48 1 10 GLN HA 1 10 GLN QG 3.400 . 3.900 2.282 2.048 2.422 . 0 0 "[ . 1 ]" 1
49 1 10 GLN HA 1 11 GLN H 3.400 . 5.000 3.505 3.434 3.545 . 0 0 "[ . 1 ]" 1
50 1 10 GLN HA 1 12 LEU H 3.400 . 5.000 4.039 3.828 4.196 . 0 0 "[ . 1 ]" 1
51 1 10 GLN HA 1 13 VAL H 3.400 . 5.000 3.615 3.234 4.082 . 0 0 "[ . 1 ]" 1
52 1 10 GLN HA 1 14 ASN H 3.400 . 5.000 4.048 3.418 4.892 . 0 0 "[ . 1 ]" 1
53 1 10 GLN QB 1 11 GLN H 2.750 . 3.650 2.716 2.424 2.938 . 0 0 "[ . 1 ]" 1
54 1 11 GLN H 1 11 GLN QB 3.400 . 3.700 2.250 2.073 2.410 . 0 0 "[ . 1 ]" 1
55 1 11 GLN H 1 11 GLN QG 2.750 . 3.650 2.660 2.296 2.964 . 0 0 "[ . 1 ]" 1
56 1 11 GLN H 1 12 LEU H 3.400 . 3.700 2.594 2.410 2.758 . 0 0 "[ . 1 ]" 1
57 1 11 GLN H 1 12 LEU QB 3.400 . 5.000 4.692 4.413 5.063 0.063 6 0 "[ . 1 ]" 1
58 1 11 GLN H 1 12 LEU HG 3.400 . 5.000 4.264 3.930 4.776 . 0 0 "[ . 1 ]" 1
59 1 11 GLN HA 1 11 GLN QG 3.400 . 3.900 2.643 2.289 2.925 . 0 0 "[ . 1 ]" 1
60 1 11 GLN QB 1 12 LEU H 3.400 . 3.700 2.959 2.693 3.134 . 0 0 "[ . 1 ]" 1
61 1 11 GLN QG 1 12 LEU H 3.400 . 5.000 4.432 4.273 4.593 . 0 0 "[ . 1 ]" 1
62 1 12 LEU H 1 12 LEU QB 3.400 . 3.700 2.443 2.220 2.782 . 0 0 "[ . 1 ]" 1
63 1 12 LEU H 1 12 LEU QD 3.400 . 5.000 3.098 2.542 3.361 . 0 0 "[ . 1 ]" 1
64 1 12 LEU H 1 12 LEU HG 2.750 . 3.650 2.457 2.079 3.012 . 0 0 "[ . 1 ]" 1
65 1 12 LEU H 1 13 VAL H 3.400 . 3.700 2.447 2.344 2.528 . 0 0 "[ . 1 ]" 1
66 1 12 LEU H 1 13 VAL HA 3.400 . 5.000 5.084 4.998 5.149 0.149 3 0 "[ . 1 ]" 1
67 1 12 LEU H 1 14 ASN QB 3.400 . 5.000 4.758 4.471 5.053 0.053 11 0 "[ . 1 ]" 1
68 1 12 LEU QB 1 13 VAL H 3.400 . 3.700 2.615 2.311 3.455 . 0 0 "[ . 1 ]" 1
69 1 12 LEU QD 1 71 PHE QB 3.400 . 5.000 4.194 3.119 4.985 . 0 0 "[ . 1 ]" 1
70 1 12 LEU QD 1 74 ARG QB 3.400 . 5.000 4.358 3.267 4.970 . 0 0 "[ . 1 ]" 1
71 1 13 VAL H 1 13 VAL QG 3.400 . 3.700 1.935 1.797 2.225 0.003 9 0 "[ . 1 ]" 1
72 1 13 VAL H 1 14 ASN H 3.400 . 3.700 2.588 2.371 2.705 . 0 0 "[ . 1 ]" 1
73 1 13 VAL HA 1 14 ASN H 3.400 . 5.000 3.504 3.435 3.551 . 0 0 "[ . 1 ]" 1
74 1 13 VAL HA 1 16 MET H 3.400 . 5.000 3.383 2.984 3.646 . 0 0 "[ . 1 ]" 1
75 1 13 VAL HB 1 14 ASN H 3.400 . 3.700 3.151 2.469 3.773 0.073 5 0 "[ . 1 ]" 1
76 1 13 VAL QG 1 14 ASN H 3.400 . 5.000 2.882 2.182 3.478 . 0 0 "[ . 1 ]" 1
77 1 14 ASN H 1 14 ASN QB 3.400 . 3.700 2.234 2.152 2.412 . 0 0 "[ . 1 ]" 1
78 1 14 ASN H 1 15 GLN H 3.400 . 3.700 2.612 2.510 2.727 . 0 0 "[ . 1 ]" 1
79 1 14 ASN H 1 16 MET H 3.400 . 5.000 4.034 3.883 4.251 . 0 0 "[ . 1 ]" 1
80 1 14 ASN HA 1 15 GLN H 3.400 . 5.000 3.475 3.418 3.523 . 0 0 "[ . 1 ]" 1
81 1 14 ASN HA 1 17 LYS H 3.400 . 5.000 4.084 3.577 4.798 . 0 0 "[ . 1 ]" 1
82 1 14 ASN QB 1 15 GLN H 2.750 . 3.650 2.857 2.670 3.052 . 0 0 "[ . 1 ]" 1
83 1 15 GLN H 1 15 GLN QB 3.400 . 3.700 2.303 2.198 2.473 . 0 0 "[ . 1 ]" 1
84 1 15 GLN H 1 15 GLN QG 2.750 . 3.650 2.707 2.264 3.368 . 0 0 "[ . 1 ]" 1
85 1 15 GLN H 1 16 MET H 3.400 . 3.700 2.387 2.324 2.451 . 0 0 "[ . 1 ]" 1
86 1 15 GLN H 1 16 MET HA 3.400 . 5.000 5.021 4.959 5.071 0.071 13 0 "[ . 1 ]" 1
87 1 15 GLN H 1 17 LYS H 3.400 . 5.000 4.103 3.633 4.520 . 0 0 "[ . 1 ]" 1
88 1 15 GLN HA 1 17 LYS H 3.400 . 5.000 3.517 3.321 3.817 . 0 0 "[ . 1 ]" 1
89 1 15 GLN QB 1 70 LEU QD 3.400 . 5.000 3.018 2.103 3.597 . 0 0 "[ . 1 ]" 1
90 1 15 GLN QG 1 16 MET H 3.400 . 5.000 4.375 4.013 4.630 . 0 0 "[ . 1 ]" 1
91 1 16 MET H 1 16 MET QB 3.400 . 3.700 2.276 2.054 2.523 . 0 0 "[ . 1 ]" 1
92 1 16 MET H 1 16 MET QG 2.750 . 3.650 2.949 2.538 3.680 0.030 9 0 "[ . 1 ]" 1
93 1 16 MET H 1 17 LYS H 2.750 . 3.650 2.629 2.435 2.961 . 0 0 "[ . 1 ]" 1
94 1 16 MET H 1 70 LEU QD 3.400 . 5.000 4.392 3.856 4.830 . 0 0 "[ . 1 ]" 1
95 1 16 MET HA 1 17 LYS H 3.400 . 5.000 3.180 2.952 3.393 . 0 0 "[ . 1 ]" 1
96 1 16 MET HA 1 70 LEU QD 3.400 . 4.200 3.322 2.723 3.686 . 0 0 "[ . 1 ]" 1
97 1 16 MET QB 1 16 MET ME 3.400 . 5.000 2.546 1.975 3.709 . 0 0 "[ . 1 ]" 1
98 1 16 MET QB 1 63 TYR QE 3.400 . 3.700 2.958 2.104 3.745 0.045 1 0 "[ . 1 ]" 1
99 1 16 MET QB 1 70 LEU QD 3.400 . 5.000 4.029 3.727 4.485 . 0 0 "[ . 1 ]" 1
100 1 16 MET ME 1 16 MET QG 3.400 . 4.200 2.385 2.215 2.530 . 0 0 "[ . 1 ]" 1
101 1 16 MET ME 1 39 TRP HD1 3.400 . 5.000 3.878 3.208 4.946 . 0 0 "[ . 1 ]" 1
102 1 16 MET ME 1 63 TYR QE 3.400 . 3.700 2.635 2.053 3.138 . 0 0 "[ . 1 ]" 1
103 1 16 MET ME 1 66 HIS QB 3.400 . 5.000 2.360 2.006 2.882 . 0 0 "[ . 1 ]" 1
104 1 16 MET ME 1 67 GLN H 3.400 . 5.000 3.200 2.771 3.881 . 0 0 "[ . 1 ]" 1
105 1 16 MET QG 1 17 LYS H 3.400 . 5.000 4.647 4.434 4.935 . 0 0 "[ . 1 ]" 1
106 1 16 MET QG 1 63 TYR QE 3.400 . 4.300 3.987 3.291 4.412 0.112 3 0 "[ . 1 ]" 1
107 1 16 MET QG 1 70 LEU QD 3.400 . 3.900 2.600 2.159 3.641 . 0 0 "[ . 1 ]" 1
108 1 17 LYS H 1 17 LYS QB 2.750 . 3.650 2.348 2.144 2.551 . 0 0 "[ . 1 ]" 1
109 1 17 LYS H 1 18 VAL H 2.750 . 3.650 2.573 2.165 2.834 . 0 0 "[ . 1 ]" 1
110 1 17 LYS H 1 18 VAL QG 3.400 . 5.000 4.038 3.541 4.441 . 0 0 "[ . 1 ]" 1
111 1 17 LYS H 1 19 ALA H 3.400 . 5.000 4.947 4.639 5.125 0.125 12 0 "[ . 1 ]" 1
112 1 17 LYS HA 1 17 LYS QE 3.400 . 5.000 4.285 3.030 4.747 . 0 0 "[ . 1 ]" 1
113 1 18 VAL H 1 18 VAL HB 3.400 . 5.000 3.103 2.588 3.785 . 0 0 "[ . 1 ]" 1
114 1 18 VAL H 1 18 VAL QG 3.400 . 5.000 2.157 1.858 2.319 . 0 0 "[ . 1 ]" 1
115 1 18 VAL H 1 19 ALA H 3.400 . 3.700 3.693 3.410 3.808 0.108 11 0 "[ . 1 ]" 1
116 1 18 VAL H 1 19 ALA MB 3.400 . 5.000 3.993 3.603 4.179 . 0 0 "[ . 1 ]" 1
117 1 18 VAL QG 1 19 ALA H 2.750 . 3.650 3.562 3.432 3.732 0.082 6 0 "[ . 1 ]" 1
118 1 19 ALA H 1 19 ALA MB 3.400 . 3.700 2.588 2.525 2.708 . 0 0 "[ . 1 ]" 1
119 1 19 ALA H 1 20 PRO QD 3.400 . 5.000 4.198 3.898 4.305 . 0 0 "[ . 1 ]" 1
120 1 19 ALA H 1 38 THR MG 3.400 . 5.000 3.455 2.675 4.424 . 0 0 "[ . 1 ]" 1
121 1 20 PRO HA 1 20 PRO QG 2.590 . 3.390 3.475 3.334 3.524 0.134 8 0 "[ . 1 ]" 1
122 1 20 PRO HA 1 21 ILE H 2.750 . 3.650 2.192 2.132 2.351 . 0 0 "[ . 1 ]" 1
123 1 20 PRO HA 1 42 VAL QG 3.400 . 3.900 4.190 4.119 4.274 0.374 10 0 "[ . 1 ]" 1
124 1 20 PRO QB 1 20 PRO QD 2.650 . 3.450 2.884 2.798 3.001 . 0 0 "[ . 1 ]" 1
125 1 20 PRO QB 1 21 ILE H 3.400 . 5.000 3.045 2.676 3.246 . 0 0 "[ . 1 ]" 1
126 1 20 PRO QB 1 38 THR MG 3.400 . 5.000 3.260 2.311 4.103 . 0 0 "[ . 1 ]" 1
127 1 21 ILE H 1 21 ILE HB 2.750 . 3.650 2.662 2.505 3.408 . 0 0 "[ . 1 ]" 1
128 1 21 ILE H 1 21 ILE MD 3.400 . 5.000 2.936 2.107 3.850 . 0 0 "[ . 1 ]" 1
129 1 21 ILE H 1 21 ILE QG 3.400 . 5.000 2.173 1.752 3.056 0.048 12 0 "[ . 1 ]" 1
130 1 21 ILE H 1 21 ILE MG 3.400 . 5.000 3.729 3.262 3.797 . 0 0 "[ . 1 ]" 1
131 1 21 ILE H 1 37 ASN QB 3.400 . 5.000 3.520 2.472 4.945 . 0 0 "[ . 1 ]" 1
132 1 21 ILE HA 1 66 HIS HE1 3.400 . 3.700 3.233 2.584 3.740 0.040 13 0 "[ . 1 ]" 1
133 1 21 ILE HB 1 21 ILE MD 3.400 . 5.000 2.292 2.197 2.470 . 0 0 "[ . 1 ]" 1
134 1 21 ILE MD 1 26 LEU QD 3.400 . 3.900 2.544 2.146 2.831 . 0 0 "[ . 1 ]" 1
135 1 21 ILE MD 1 26 LEU HG 3.400 . 5.000 3.993 2.831 4.741 . 0 0 "[ . 1 ]" 1
136 1 21 ILE MD 1 38 THR H 3.400 . 5.000 4.984 4.823 5.075 0.075 8 0 "[ . 1 ]" 1
137 1 21 ILE MD 1 42 VAL QG 3.400 . 3.900 1.811 1.722 1.923 0.078 11 0 "[ . 1 ]" 1
138 1 21 ILE MD 1 62 VAL QG 3.400 . 5.000 3.249 2.535 3.792 . 0 0 "[ . 1 ]" 1
139 1 21 ILE QG 1 66 HIS HE1 3.400 . 4.300 3.682 2.743 4.325 0.025 8 0 "[ . 1 ]" 1
140 1 21 ILE MG 1 22 PRO QB 3.400 . 5.000 4.064 3.652 4.655 . 0 0 "[ . 1 ]" 1
141 1 21 ILE MG 1 22 PRO QG 3.400 . 5.000 3.711 3.127 4.221 . 0 0 "[ . 1 ]" 1
142 1 21 ILE MG 1 25 LEU H 3.400 . 5.000 3.674 3.443 4.687 . 0 0 "[ . 1 ]" 1
143 1 21 ILE MG 1 25 LEU QB 3.400 . 5.000 2.044 1.899 2.216 . 0 0 "[ . 1 ]" 1
144 1 21 ILE MG 1 26 LEU H 3.400 . 5.000 3.107 2.733 4.467 . 0 0 "[ . 1 ]" 1
145 1 21 ILE MG 1 26 LEU QB 3.400 . 5.000 3.933 3.546 5.073 0.073 12 0 "[ . 1 ]" 1
146 1 21 ILE MG 1 26 LEU HG 3.400 . 4.200 2.574 2.222 4.068 . 0 0 "[ . 1 ]" 1
147 1 21 ILE MG 1 39 TRP HZ2 3.400 . 5.000 3.736 2.547 4.373 . 0 0 "[ . 1 ]" 1
148 1 21 ILE MG 1 62 VAL QG 3.400 . 4.200 2.211 1.884 2.497 . 0 0 "[ . 1 ]" 1
149 1 21 ILE MG 1 66 HIS HE1 3.400 . 5.000 4.522 3.274 4.983 . 0 0 "[ . 1 ]" 1
150 1 22 PRO HA 1 23 LYS H 3.400 . 3.700 2.282 2.211 2.345 . 0 0 "[ . 1 ]" 1
151 1 22 PRO QB 1 22 PRO QD 2.840 . 3.840 2.735 2.694 2.771 . 0 0 "[ . 1 ]" 1
152 1 22 PRO QB 1 23 LYS H 3.400 . 5.000 2.798 2.709 2.969 . 0 0 "[ . 1 ]" 1
153 1 22 PRO QB 1 24 GLN H 3.400 . 5.000 2.721 2.525 3.031 . 0 0 "[ . 1 ]" 1
154 1 22 PRO QG 1 23 LYS H 3.400 . 4.300 4.406 4.318 4.484 0.184 4 0 "[ . 1 ]" 1
155 1 22 PRO QG 1 24 GLN H 3.400 . 5.000 4.436 3.802 5.013 0.013 8 0 "[ . 1 ]" 1
156 1 23 LYS H 1 23 LYS QB 3.400 . 3.700 2.382 2.030 2.636 . 0 0 "[ . 1 ]" 1
157 1 23 LYS H 1 23 LYS QG 3.400 . 5.000 2.421 1.828 3.422 . 0 0 "[ . 1 ]" 1
158 1 23 LYS H 1 24 GLN H 3.400 . 5.000 2.709 2.587 2.876 . 0 0 "[ . 1 ]" 1
159 1 23 LYS HA 1 24 GLN H 3.400 . 5.000 3.513 3.473 3.548 . 0 0 "[ . 1 ]" 1
160 1 23 LYS HA 1 25 LEU H 3.400 . 5.000 4.096 3.864 4.337 . 0 0 "[ . 1 ]" 1
161 1 23 LYS HA 1 26 LEU H 3.400 . 5.000 3.180 3.030 3.425 . 0 0 "[ . 1 ]" 1
162 1 23 LYS HA 1 26 LEU QD 3.400 . 3.900 2.309 2.008 2.865 . 0 0 "[ . 1 ]" 1
163 1 23 LYS HA 1 26 LEU HG 3.400 . 5.000 3.440 2.660 4.284 . 0 0 "[ . 1 ]" 1
164 1 23 LYS QB 1 24 GLN H 3.400 . 5.000 2.671 2.396 2.813 . 0 0 "[ . 1 ]" 1
165 1 24 GLN H 1 24 GLN QB 3.400 . 3.700 2.418 2.130 2.634 . 0 0 "[ . 1 ]" 1
166 1 24 GLN H 1 24 GLN QG 3.400 . 5.000 2.486 2.045 3.972 . 0 0 "[ . 1 ]" 1
167 1 24 GLN H 1 25 LEU H 2.750 . 3.650 2.680 2.547 2.794 . 0 0 "[ . 1 ]" 1
168 1 24 GLN H 1 26 LEU H 3.400 . 5.000 3.993 3.884 4.094 . 0 0 "[ . 1 ]" 1
169 1 24 GLN HA 1 25 LEU H 3.400 . 5.000 3.500 3.467 3.546 . 0 0 "[ . 1 ]" 1
170 1 24 GLN QB 1 25 LEU H 2.750 . 3.650 2.733 2.508 2.924 . 0 0 "[ . 1 ]" 1
171 1 24 GLN QG 1 25 LEU H 3.400 . 5.000 4.160 3.635 4.481 . 0 0 "[ . 1 ]" 1
172 1 25 LEU H 1 25 LEU QB 3.400 . 3.700 2.286 2.150 2.364 . 0 0 "[ . 1 ]" 1
173 1 25 LEU H 1 25 LEU QD 3.400 . 5.000 3.000 2.288 3.426 . 0 0 "[ . 1 ]" 1
174 1 25 LEU H 1 26 LEU H 3.400 . 3.700 2.288 2.212 2.393 . 0 0 "[ . 1 ]" 1
175 1 25 LEU H 1 26 LEU HA 3.400 . 5.000 4.925 4.840 5.016 0.016 9 0 "[ . 1 ]" 1
176 1 25 LEU HA 1 25 LEU QD 3.400 . 3.900 2.223 1.906 2.797 . 0 0 "[ . 1 ]" 1
177 1 25 LEU HA 1 25 LEU HG 3.400 . 5.000 2.778 2.321 3.086 . 0 0 "[ . 1 ]" 1
178 1 25 LEU QB 1 26 LEU H 3.400 . 5.000 2.881 2.693 3.023 . 0 0 "[ . 1 ]" 1
179 1 25 LEU QB 1 62 VAL QG 3.400 . 4.200 1.889 1.821 2.001 . 0 0 "[ . 1 ]" 1
180 1 25 LEU QD 1 26 LEU H 3.400 . 5.000 4.154 3.901 4.338 . 0 0 "[ . 1 ]" 1
181 1 25 LEU QD 1 28 ARG QD 3.400 . 3.900 3.014 1.982 3.933 0.033 9 0 "[ . 1 ]" 1
182 1 25 LEU QD 1 39 TRP HZ2 3.400 . 5.000 4.284 3.666 5.025 0.025 4 0 "[ . 1 ]" 1
183 1 25 LEU QD 1 63 TYR H 3.400 . 5.000 4.778 4.601 4.955 . 0 0 "[ . 1 ]" 1
184 1 25 LEU QD 1 66 HIS QB 3.400 . 5.000 2.295 2.074 2.456 . 0 0 "[ . 1 ]" 1
185 1 25 LEU QD 1 66 HIS HD2 3.400 . 4.300 3.262 2.825 3.764 . 0 0 "[ . 1 ]" 1
186 1 25 LEU QD 1 68 GLN H 3.400 . 5.000 5.046 4.968 5.152 0.152 7 0 "[ . 1 ]" 1
187 1 26 LEU H 1 26 LEU QB 3.400 . 3.700 2.245 2.077 2.377 . 0 0 "[ . 1 ]" 1
188 1 26 LEU H 1 26 LEU QD 3.280 . 4.780 3.300 3.166 3.485 . 0 0 "[ . 1 ]" 1
189 1 26 LEU H 1 26 LEU HG 2.750 . 3.650 2.754 2.444 3.235 . 0 0 "[ . 1 ]" 1
190 1 26 LEU H 1 27 GLN H 2.750 . 3.650 2.614 2.521 2.712 . 0 0 "[ . 1 ]" 1
191 1 26 LEU HA 1 26 LEU QD 3.400 . 3.900 2.000 1.944 2.161 . 0 0 "[ . 1 ]" 1
192 1 26 LEU HA 1 26 LEU HG 3.400 . 5.000 2.844 2.572 2.989 . 0 0 "[ . 1 ]" 1
193 1 26 LEU HA 1 27 GLN H 3.400 . 5.000 3.475 3.414 3.528 . 0 0 "[ . 1 ]" 1
194 1 26 LEU HA 1 28 ARG H 3.400 . 5.000 3.557 3.468 3.708 . 0 0 "[ . 1 ]" 1
195 1 26 LEU QB 1 27 GLN H 3.400 . 3.700 2.819 2.632 3.057 . 0 0 "[ . 1 ]" 1
196 1 26 LEU QD 1 37 ASN QB 3.400 . 4.200 3.661 2.241 4.064 . 0 0 "[ . 1 ]" 1
197 1 27 GLN H 1 27 GLN QB 3.400 . 3.700 2.365 2.224 2.576 . 0 0 "[ . 1 ]" 1
198 1 27 GLN HA 1 28 ARG H 2.750 . 3.650 3.316 3.265 3.438 . 0 0 "[ . 1 ]" 1
199 1 28 ARG H 1 28 ARG QD 3.400 . 5.000 3.806 2.651 4.483 . 0 0 "[ . 1 ]" 1
200 1 28 ARG H 1 28 ARG QG 3.400 . 3.700 3.158 2.420 3.846 0.146 8 0 "[ . 1 ]" 1
201 1 28 ARG H 1 29 ILE H 3.400 . 3.700 2.340 2.201 2.477 . 0 0 "[ . 1 ]" 1
202 1 28 ARG H 1 29 ILE QG 3.400 . 5.000 3.536 3.112 3.967 . 0 0 "[ . 1 ]" 1
203 1 28 ARG HA 1 28 ARG QD 3.400 . 4.200 3.624 2.631 4.163 . 0 0 "[ . 1 ]" 1
204 1 28 ARG HA 1 29 ILE H 3.400 . 5.000 3.407 3.272 3.468 . 0 0 "[ . 1 ]" 1
205 1 28 ARG QB 1 62 VAL QG 3.400 . 4.200 2.302 2.087 2.559 . 0 0 "[ . 1 ]" 1
206 1 28 ARG QD 1 62 VAL QG 3.400 . 3.900 2.883 1.879 3.786 . 0 0 "[ . 1 ]" 1
207 1 29 ILE H 1 29 ILE MD 3.400 . 5.000 3.794 3.623 3.946 . 0 0 "[ . 1 ]" 1
208 1 29 ILE H 1 29 ILE QG 2.750 . 3.650 2.317 1.963 2.575 . 0 0 "[ . 1 ]" 1
209 1 29 ILE H 1 29 ILE MG 3.400 . 5.000 3.735 3.267 3.928 . 0 0 "[ . 1 ]" 1
210 1 29 ILE H 1 62 VAL QG 3.400 . 5.000 4.030 3.640 4.296 . 0 0 "[ . 1 ]" 1
211 1 29 ILE HA 1 29 ILE QG 3.400 . 5.000 2.763 2.452 3.276 . 0 0 "[ . 1 ]" 1
212 1 29 ILE MD 1 39 TRP HH2 3.400 . 4.300 3.886 2.999 4.304 0.004 13 0 "[ . 1 ]" 1
213 1 29 ILE MD 1 39 TRP HZ3 3.400 . 5.000 4.542 3.710 5.002 0.002 7 0 "[ . 1 ]" 1
214 1 29 ILE MD 1 62 VAL HB 3.400 . 4.200 3.434 2.843 3.962 . 0 0 "[ . 1 ]" 1
215 1 29 ILE MG 1 59 ALA H 3.400 . 5.000 4.412 3.411 5.049 0.049 11 0 "[ . 1 ]" 1
216 1 30 PRO HA 1 31 ASN H 3.400 . 3.700 2.528 2.336 2.730 . 0 0 "[ . 1 ]" 1
217 1 30 PRO HA 1 32 ILE H 3.400 . 5.000 3.489 3.234 4.180 . 0 0 "[ . 1 ]" 1
218 1 30 PRO QB 1 30 PRO QD 2.640 . 3.440 2.953 2.846 3.000 . 0 0 "[ . 1 ]" 1
219 1 30 PRO QB 1 31 ASN H 3.400 . 5.000 2.225 1.842 2.684 . 0 0 "[ . 1 ]" 1
220 1 31 ASN H 1 31 ASN QB 3.400 . 5.000 3.148 2.890 3.390 . 0 0 "[ . 1 ]" 1
221 1 31 ASN H 1 32 ILE H 2.750 . 3.650 3.020 2.876 3.157 . 0 0 "[ . 1 ]" 1
222 1 31 ASN QB 1 32 ILE H 3.400 . 5.000 3.256 2.936 4.014 . 0 0 "[ . 1 ]" 1
223 1 32 ILE H 1 32 ILE HB 3.400 . 3.700 3.591 2.826 3.823 0.123 4 0 "[ . 1 ]" 1
224 1 32 ILE H 1 32 ILE MD 3.400 . 5.000 3.737 2.525 4.033 . 0 0 "[ . 1 ]" 1
225 1 32 ILE H 1 32 ILE QG 2.750 . 3.650 2.222 1.886 2.666 . 0 0 "[ . 1 ]" 1
226 1 32 ILE QG 1 33 PRO QD 3.400 . 5.000 4.143 3.818 4.319 . 0 0 "[ . 1 ]" 1
227 1 34 PRO HA 1 36 ILE H 3.400 . 5.000 4.124 3.926 4.805 . 0 0 "[ . 1 ]" 1
228 1 34 PRO QB 1 34 PRO QD 2.890 . 3.990 2.776 2.735 2.826 . 0 0 "[ . 1 ]" 1
229 1 34 PRO QB 1 35 ASN H 3.400 . 5.000 2.798 2.280 3.167 . 0 0 "[ . 1 ]" 1
230 1 34 PRO QD 1 35 ASN H 3.400 . 5.000 2.728 2.139 3.064 . 0 0 "[ . 1 ]" 1
231 1 34 PRO QG 1 36 ILE H 3.400 . 5.000 3.380 2.837 4.451 . 0 0 "[ . 1 ]" 1
232 1 35 ASN H 1 35 ASN QB 2.750 . 3.650 3.120 2.903 3.335 . 0 0 "[ . 1 ]" 1
233 1 35 ASN H 1 36 ILE H 3.400 . 3.700 2.681 2.556 2.865 . 0 0 "[ . 1 ]" 1
234 1 35 ASN HA 1 36 ILE H 2.750 . 3.650 3.054 2.724 3.166 . 0 0 "[ . 1 ]" 1
235 1 35 ASN QB 1 36 ILE H 3.400 . 5.000 3.650 3.469 3.893 . 0 0 "[ . 1 ]" 1
236 1 36 ILE H 1 36 ILE HB 3.400 . 3.700 3.378 2.632 3.771 0.071 8 0 "[ . 1 ]" 1
237 1 36 ILE H 1 36 ILE QG 2.750 . 3.650 2.413 2.205 2.714 . 0 0 "[ . 1 ]" 1
238 1 36 ILE H 1 37 ASN H 3.400 . 5.000 4.405 4.283 4.555 . 0 0 "[ . 1 ]" 1
239 1 36 ILE HA 1 36 ILE QG 3.400 . 5.000 2.996 2.484 3.326 . 0 0 "[ . 1 ]" 1
240 1 36 ILE HA 1 37 ASN H 3.400 . 3.700 2.499 2.178 2.679 . 0 0 "[ . 1 ]" 1
241 1 36 ILE HA 1 38 THR H 3.400 . 5.000 4.531 4.069 4.942 . 0 0 "[ . 1 ]" 1
242 1 36 ILE HB 1 37 ASN H 3.400 . 5.000 2.662 1.814 3.908 . 0 0 "[ . 1 ]" 1
243 1 36 ILE QG 1 37 ASN H 3.400 . 5.000 4.124 3.962 4.250 . 0 0 "[ . 1 ]" 1
244 1 36 ILE MG 1 37 ASN H 2.750 . 3.650 2.609 1.837 3.129 0.013 11 0 "[ . 1 ]" 1
245 1 36 ILE MG 1 41 GLN QB 3.400 . 3.900 2.125 1.890 2.982 . 0 0 "[ . 1 ]" 1
246 1 37 ASN H 1 37 ASN QB 3.400 . 5.000 2.649 2.405 3.078 . 0 0 "[ . 1 ]" 1
247 1 37 ASN H 1 38 THR H 3.400 . 3.700 2.335 1.815 3.616 . 0 0 "[ . 1 ]" 1
248 1 37 ASN HA 1 38 THR H 3.400 . 5.000 3.297 2.473 3.577 . 0 0 "[ . 1 ]" 1
249 1 37 ASN QB 1 38 THR MG 3.400 . 5.000 4.472 3.505 5.119 0.119 11 0 "[ . 1 ]" 1
250 1 38 THR H 1 41 GLN QB 3.400 . 5.000 3.539 3.161 3.813 . 0 0 "[ . 1 ]" 1
251 1 38 THR HA 1 38 THR MG 3.400 . 3.900 2.190 2.141 2.279 . 0 0 "[ . 1 ]" 1
252 1 38 THR HA 1 39 TRP H 3.400 . 5.000 2.173 2.131 2.226 . 0 0 "[ . 1 ]" 1
253 1 38 THR HA 1 41 GLN H 3.400 . 5.000 4.659 4.473 4.788 . 0 0 "[ . 1 ]" 1
254 1 39 TRP H 1 40 GLN H 3.400 . 5.000 2.843 2.666 2.935 . 0 0 "[ . 1 ]" 1
255 1 39 TRP HA 1 39 TRP HE3 3.400 . 5.000 2.462 2.128 2.720 . 0 0 "[ . 1 ]" 1
256 1 39 TRP HA 1 41 GLN H 3.400 . 5.000 4.169 3.975 4.314 . 0 0 "[ . 1 ]" 1
257 1 39 TRP HA 1 42 VAL H 3.400 . 5.000 3.156 2.995 3.600 . 0 0 "[ . 1 ]" 1
258 1 39 TRP QB 1 39 TRP HD1 3.400 . 4.300 2.498 2.486 2.508 . 0 0 "[ . 1 ]" 1
259 1 39 TRP QB 1 39 TRP HE3 3.400 . 5.000 2.917 2.863 3.035 . 0 0 "[ . 1 ]" 1
260 1 39 TRP HD1 1 63 TYR QE 3.400 . 5.000 4.711 4.160 5.048 0.048 4 0 "[ . 1 ]" 1
261 1 39 TRP HE3 1 42 VAL HB 3.400 . 5.000 2.796 2.151 5.024 0.024 11 0 "[ . 1 ]" 1
262 1 39 TRP HE3 1 42 VAL QG 3.400 . 4.200 2.805 2.316 3.132 . 0 0 "[ . 1 ]" 1
263 1 39 TRP HH2 1 59 ALA HA 3.400 . 5.000 4.165 3.602 4.871 . 0 0 "[ . 1 ]" 1
264 1 39 TRP HH2 1 59 ALA MB 3.400 . 5.000 3.383 2.684 4.388 . 0 0 "[ . 1 ]" 1
265 1 39 TRP HH2 1 62 VAL HB 3.400 . 4.300 3.076 2.275 3.679 . 0 0 "[ . 1 ]" 1
266 1 39 TRP HH2 1 62 VAL QG 3.400 . 4.300 3.094 2.378 3.689 . 0 0 "[ . 1 ]" 1
267 1 39 TRP HH2 1 63 TYR HA 3.400 . 5.000 4.217 3.298 4.901 . 0 0 "[ . 1 ]" 1
268 1 39 TRP HZ2 1 62 VAL HB 3.400 . 5.000 3.699 3.144 4.412 . 0 0 "[ . 1 ]" 1
269 1 39 TRP HZ2 1 62 VAL QG 3.400 . 3.700 2.470 2.141 2.977 . 0 0 "[ . 1 ]" 1
270 1 39 TRP HZ2 1 63 TYR HA 3.400 . 3.700 2.658 2.287 3.050 . 0 0 "[ . 1 ]" 1
271 1 39 TRP HZ2 1 66 HIS QB 3.400 . 5.000 3.470 2.824 3.855 . 0 0 "[ . 1 ]" 1
272 1 39 TRP HZ3 1 42 VAL QG 3.400 . 5.000 2.712 2.197 3.173 . 0 0 "[ . 1 ]" 1
273 1 39 TRP HZ3 1 59 ALA MB 3.400 . 5.000 3.634 3.095 4.317 . 0 0 "[ . 1 ]" 1
274 1 40 GLN H 1 41 GLN H 2.750 . 3.650 2.706 2.601 2.766 . 0 0 "[ . 1 ]" 1
275 1 40 GLN HA 1 41 GLN H 3.400 . 5.000 3.510 3.467 3.527 . 0 0 "[ . 1 ]" 1
276 1 40 GLN QB 1 41 GLN H 3.400 . 5.000 2.699 2.541 2.827 . 0 0 "[ . 1 ]" 1
277 1 41 GLN H 1 41 GLN QB 2.750 . 3.650 2.405 2.307 2.493 . 0 0 "[ . 1 ]" 1
278 1 41 GLN H 1 41 GLN QG 3.400 . 3.700 2.536 2.262 3.250 . 0 0 "[ . 1 ]" 1
279 1 41 GLN H 1 42 VAL H 3.400 . 3.700 2.312 2.225 2.441 . 0 0 "[ . 1 ]" 1
280 1 41 GLN HA 1 44 ALA H 3.400 . 5.000 3.428 3.186 3.831 . 0 0 "[ . 1 ]" 1
281 1 41 GLN QB 1 42 VAL H 3.400 . 5.000 2.905 2.694 3.079 . 0 0 "[ . 1 ]" 1
282 1 42 VAL H 1 43 THR H 3.400 . 5.000 2.562 2.433 2.695 . 0 0 "[ . 1 ]" 1
283 1 42 VAL HA 1 45 LEU H 3.400 . 5.000 3.968 3.771 4.220 . 0 0 "[ . 1 ]" 1
284 1 43 THR H 1 44 ALA H 2.750 . 3.650 2.528 2.391 2.679 . 0 0 "[ . 1 ]" 1
285 1 43 THR H 1 45 LEU H 3.400 . 5.000 4.421 4.173 4.746 . 0 0 "[ . 1 ]" 1
286 1 43 THR HA 1 44 ALA H 3.400 . 5.000 3.432 3.396 3.481 . 0 0 "[ . 1 ]" 1
287 1 43 THR HA 1 46 ALA H 3.400 . 5.000 3.510 3.153 4.168 . 0 0 "[ . 1 ]" 1
288 1 44 ALA H 1 44 ALA MB 3.400 . 3.700 2.231 2.216 2.245 . 0 0 "[ . 1 ]" 1
289 1 44 ALA H 1 45 LEU H 2.750 . 3.650 2.711 2.605 2.852 . 0 0 "[ . 1 ]" 1
290 1 44 ALA HA 1 45 LEU H 3.400 . 5.000 3.501 3.439 3.567 . 0 0 "[ . 1 ]" 1
291 1 44 ALA MB 1 45 LEU H 2.750 . 3.650 2.733 2.478 2.920 . 0 0 "[ . 1 ]" 1
292 1 45 LEU H 1 45 LEU QB 3.400 . 3.700 2.520 2.167 2.762 . 0 0 "[ . 1 ]" 1
293 1 45 LEU H 1 45 LEU QD 2.750 . 3.650 2.874 2.161 3.285 . 0 0 "[ . 1 ]" 1
294 1 45 LEU H 1 45 LEU HG 3.400 . 3.700 2.262 1.800 3.745 0.045 10 0 "[ . 1 ]" 1
295 1 45 LEU H 1 46 ALA H 3.400 . 3.700 2.628 2.533 2.962 . 0 0 "[ . 1 ]" 1
296 1 45 LEU H 1 47 GLN H 3.400 . 5.000 4.161 3.910 4.766 . 0 0 "[ . 1 ]" 1
297 1 45 LEU HA 1 46 ALA H 3.400 . 5.000 3.466 3.410 3.555 . 0 0 "[ . 1 ]" 1
298 1 45 LEU QB 1 46 ALA H 2.750 . 3.650 3.119 2.645 3.659 0.009 8 0 "[ . 1 ]" 1
299 1 45 LEU QD 1 46 ALA H 3.400 . 5.000 3.613 2.703 4.215 . 0 0 "[ . 1 ]" 1
300 1 45 LEU HG 1 46 ALA H 3.400 . 5.000 3.813 2.465 5.054 0.054 10 0 "[ . 1 ]" 1
301 1 46 ALA H 1 46 ALA MB 3.400 . 3.700 2.244 2.109 2.273 . 0 0 "[ . 1 ]" 1
302 1 46 ALA H 1 47 GLN H 2.750 . 3.650 2.459 2.346 2.830 . 0 0 "[ . 1 ]" 1
303 1 46 ALA HA 1 47 GLN H 3.400 . 5.000 3.494 3.430 3.554 . 0 0 "[ . 1 ]" 1
304 1 46 ALA HA 1 48 GLN H 3.400 . 5.000 3.925 3.541 4.265 . 0 0 "[ . 1 ]" 1
305 1 46 ALA MB 1 47 GLN H 2.750 . 3.650 2.699 2.393 2.933 . 0 0 "[ . 1 ]" 1
306 1 47 GLN H 1 47 GLN QG 2.750 . 3.650 2.477 2.058 3.373 . 0 0 "[ . 1 ]" 1
307 1 47 GLN H 1 48 GLN H 3.400 . 3.700 2.504 2.356 2.619 . 0 0 "[ . 1 ]" 1
308 1 47 GLN H 1 49 LYS H 3.400 . 5.000 4.029 3.670 4.591 . 0 0 "[ . 1 ]" 1
309 1 47 GLN QB 1 48 GLN H 2.750 . 3.650 2.967 2.732 3.359 . 0 0 "[ . 1 ]" 1
310 1 47 GLN QB 1 49 LYS H 3.400 . 5.000 4.368 4.288 4.440 . 0 0 "[ . 1 ]" 1
311 1 48 GLN H 1 49 LYS H 3.400 . 3.700 2.511 2.297 2.845 . 0 0 "[ . 1 ]" 1
312 1 48 GLN H 1 49 LYS QG 3.400 . 5.000 4.796 4.595 5.032 0.032 5 0 "[ . 1 ]" 1
313 1 48 GLN H 1 50 LEU H 3.400 . 5.000 3.667 3.356 3.957 . 0 0 "[ . 1 ]" 1
314 1 48 GLN H 1 50 LEU HG 3.400 . 5.000 4.393 3.899 4.972 . 0 0 "[ . 1 ]" 1
315 1 48 GLN HA 1 48 GLN QG 3.400 . 4.200 2.704 2.409 3.041 . 0 0 "[ . 1 ]" 1
316 1 48 GLN HA 1 49 LYS H 2.750 . 3.650 3.186 3.003 3.281 . 0 0 "[ . 1 ]" 1
317 1 48 GLN QB 1 50 LEU H 3.400 . 5.000 3.252 2.931 4.104 . 0 0 "[ . 1 ]" 1
318 1 48 GLN QB 1 50 LEU QD 3.400 . 3.900 2.294 2.112 2.469 . 0 0 "[ . 1 ]" 1
319 1 48 GLN QG 1 50 LEU HG 3.400 . 5.000 4.224 3.753 4.993 . 0 0 "[ . 1 ]" 1
320 1 49 LYS H 1 49 LYS QB 3.400 . 5.000 3.332 3.200 3.379 . 0 0 "[ . 1 ]" 1
321 1 49 LYS H 1 49 LYS QD 3.400 . 5.000 3.799 2.610 4.761 . 0 0 "[ . 1 ]" 1
322 1 49 LYS H 1 49 LYS QE 3.400 . 5.000 4.439 3.655 5.013 0.013 10 0 "[ . 1 ]" 1
323 1 49 LYS H 1 49 LYS QG 2.750 . 3.650 2.805 2.478 2.968 . 0 0 "[ . 1 ]" 1
324 1 49 LYS H 1 51 LEU H 3.400 . 5.000 4.209 3.982 4.526 . 0 0 "[ . 1 ]" 1
325 1 49 LYS QG 1 50 LEU H 3.400 . 5.000 4.602 4.448 4.791 . 0 0 "[ . 1 ]" 1
326 1 50 LEU H 1 50 LEU QB 2.750 . 3.650 2.470 2.337 2.599 . 0 0 "[ . 1 ]" 1
327 1 50 LEU H 1 51 LEU H 3.400 . 3.700 2.286 1.885 2.578 . 0 0 "[ . 1 ]" 1
328 1 50 LEU H 1 51 LEU HA 3.400 . 5.000 4.832 4.589 5.005 0.005 6 0 "[ . 1 ]" 1
329 1 50 LEU H 1 51 LEU QB 3.400 . 5.000 3.818 3.580 4.130 . 0 0 "[ . 1 ]" 1
330 1 50 LEU HA 1 51 LEU H 3.400 . 5.000 3.291 2.972 3.517 . 0 0 "[ . 1 ]" 1
331 1 51 LEU H 1 51 LEU QD 2.750 . 3.650 3.472 2.536 3.795 0.145 7 0 "[ . 1 ]" 1
332 1 51 LEU H 1 52 THR H 3.400 . 5.000 4.389 4.087 4.518 . 0 0 "[ . 1 ]" 1
333 1 51 LEU HA 1 52 THR H 3.400 . 3.700 2.147 2.116 2.180 . 0 0 "[ . 1 ]" 1
334 1 51 LEU HA 1 55 ASP H 3.400 . 5.000 5.068 4.794 5.166 0.166 8 0 "[ . 1 ]" 1
335 1 51 LEU QD 1 52 THR H 3.400 . 5.000 3.410 2.835 3.918 . 0 0 "[ . 1 ]" 1
336 1 51 LEU QD 1 55 ASP H 3.400 . 5.000 4.382 3.619 4.947 . 0 0 "[ . 1 ]" 1
337 1 51 LEU QD 1 55 ASP QB 3.400 . 4.200 2.294 2.015 2.812 . 0 0 "[ . 1 ]" 1
338 1 51 LEU HG 1 52 THR H 2.750 . 3.650 3.216 2.622 3.710 0.060 11 0 "[ . 1 ]" 1
339 1 51 LEU HG 1 55 ASP QB 3.400 . 5.000 2.249 1.811 3.478 . 0 0 "[ . 1 ]" 1
340 1 52 THR H 1 52 THR HB 3.400 . 5.000 3.655 3.257 3.757 . 0 0 "[ . 1 ]" 1
341 1 52 THR H 1 53 PRO QD 3.400 . 5.000 4.432 4.409 4.456 . 0 0 "[ . 1 ]" 1
342 1 52 THR H 1 55 ASP H 3.400 . 5.000 3.418 3.134 3.741 . 0 0 "[ . 1 ]" 1
343 1 52 THR H 1 55 ASP QB 2.750 . 3.650 2.767 2.168 3.196 . 0 0 "[ . 1 ]" 1
344 1 52 THR H 1 56 MET H 3.400 . 5.000 4.395 4.046 4.969 . 0 0 "[ . 1 ]" 1
345 1 52 THR HA 1 54 GLN H 3.400 . 5.000 4.172 4.001 4.418 . 0 0 "[ . 1 ]" 1
346 1 52 THR HA 1 55 ASP H 3.400 . 5.000 4.656 4.454 4.878 . 0 0 "[ . 1 ]" 1
347 1 52 THR HB 1 54 GLN H 2.750 . 3.650 2.904 2.652 3.134 . 0 0 "[ . 1 ]" 1
348 1 52 THR HB 1 55 ASP H 3.400 . 5.000 4.087 3.321 4.353 . 0 0 "[ . 1 ]" 1
349 1 52 THR MG 1 54 GLN H 3.400 . 5.000 4.244 3.956 4.467 . 0 0 "[ . 1 ]" 1
350 1 53 PRO HA 1 54 GLN H 3.400 . 5.000 3.485 3.431 3.549 . 0 0 "[ . 1 ]" 1
351 1 53 PRO HA 1 56 MET H 3.400 . 5.000 3.498 3.356 3.677 . 0 0 "[ . 1 ]" 1
352 1 53 PRO QD 1 54 GLN H 2.750 . 3.650 2.987 2.679 3.235 . 0 0 "[ . 1 ]" 1
353 1 54 GLN H 1 54 GLN QB 3.400 . 3.700 2.438 2.147 2.800 . 0 0 "[ . 1 ]" 1
354 1 54 GLN H 1 54 GLN QG 3.400 . 5.000 2.656 1.713 4.046 0.087 4 0 "[ . 1 ]" 1
355 1 54 GLN H 1 55 ASP H 3.400 . 3.700 2.545 2.290 2.716 . 0 0 "[ . 1 ]" 1
356 1 54 GLN H 1 55 ASP QB 3.400 . 5.000 4.774 4.418 5.027 0.027 8 0 "[ . 1 ]" 1
357 1 54 GLN HA 1 54 GLN QG 3.400 . 3.900 2.770 2.352 3.348 . 0 0 "[ . 1 ]" 1
358 1 54 GLN HA 1 55 ASP H 3.400 . 5.000 3.534 3.469 3.571 . 0 0 "[ . 1 ]" 1
359 1 55 ASP H 1 55 ASP QB 2.750 . 3.650 2.604 2.442 2.855 . 0 0 "[ . 1 ]" 1
360 1 55 ASP H 1 56 MET H 3.400 . 3.700 2.425 2.091 2.632 . 0 0 "[ . 1 ]" 1
361 1 55 ASP H 1 56 MET QG 3.400 . 5.000 4.542 3.907 5.254 0.254 1 0 "[ . 1 ]" 1
362 1 55 ASP H 1 58 ALA MB 3.400 . 5.000 4.957 4.694 5.056 0.056 2 0 "[ . 1 ]" 1
363 1 55 ASP QB 1 56 MET H 2.750 . 3.650 2.789 2.522 2.994 . 0 0 "[ . 1 ]" 1
364 1 56 MET H 1 56 MET QB 3.400 . 3.700 2.240 2.010 2.431 . 0 0 "[ . 1 ]" 1
365 1 56 MET H 1 56 MET QG 2.750 . 3.650 2.766 2.295 3.579 . 0 0 "[ . 1 ]" 1
366 1 56 MET H 1 57 GLU H 3.400 . 3.700 2.726 2.570 2.992 . 0 0 "[ . 1 ]" 1
367 1 56 MET ME 1 56 MET QG 3.400 . 4.200 2.301 2.211 2.409 . 0 0 "[ . 1 ]" 1
368 1 57 GLU H 1 57 GLU QB 3.400 . 3.700 2.349 2.107 2.602 . 0 0 "[ . 1 ]" 1
369 1 57 GLU H 1 57 GLU QG 3.400 . 3.700 2.505 2.054 3.745 0.045 6 0 "[ . 1 ]" 1
370 1 57 GLU H 1 58 ALA H 3.400 . 3.700 2.546 2.349 2.662 . 0 0 "[ . 1 ]" 1
371 1 57 GLU H 1 59 ALA H 3.400 . 5.000 4.086 3.834 4.343 . 0 0 "[ . 1 ]" 1
372 1 57 GLU HA 1 58 ALA H 3.400 . 5.000 3.479 3.435 3.531 . 0 0 "[ . 1 ]" 1
373 1 57 GLU HA 1 60 LYS H 3.400 . 5.000 3.683 3.313 3.962 . 0 0 "[ . 1 ]" 1
374 1 57 GLU QB 1 58 ALA H 3.400 . 3.700 2.831 2.557 3.019 . 0 0 "[ . 1 ]" 1
375 1 57 GLU QG 1 58 ALA H 3.400 . 5.000 4.230 3.930 4.455 . 0 0 "[ . 1 ]" 1
376 1 58 ALA H 1 58 ALA MB 3.400 . 3.700 2.249 2.181 2.299 . 0 0 "[ . 1 ]" 1
377 1 58 ALA H 1 59 ALA H 3.400 . 3.700 2.438 2.270 2.619 . 0 0 "[ . 1 ]" 1
378 1 58 ALA HA 1 61 GLU H 2.750 . 3.650 3.594 3.478 3.732 0.082 6 0 "[ . 1 ]" 1
379 1 58 ALA HA 1 61 GLU QG 3.400 . 5.000 3.455 2.597 5.245 0.245 8 0 "[ . 1 ]" 1
380 1 59 ALA H 1 59 ALA MB 3.400 . 3.700 2.235 2.201 2.247 . 0 0 "[ . 1 ]" 1
381 1 59 ALA H 1 60 LYS H 2.750 . 3.650 2.514 2.438 2.570 . 0 0 "[ . 1 ]" 1
382 1 59 ALA H 1 60 LYS HA 3.400 . 5.000 5.107 5.067 5.162 0.162 2 0 "[ . 1 ]" 1
383 1 59 ALA MB 1 60 LYS H 3.400 . 5.000 2.745 2.588 2.953 . 0 0 "[ . 1 ]" 1
384 1 60 LYS H 1 60 LYS QB 3.400 . 3.700 2.357 2.221 2.508 . 0 0 "[ . 1 ]" 1
385 1 60 LYS H 1 60 LYS QD 3.400 . 5.000 3.922 3.488 4.579 . 0 0 "[ . 1 ]" 1
386 1 60 LYS H 1 61 GLU H 3.400 . 3.700 2.612 2.539 2.763 . 0 0 "[ . 1 ]" 1
387 1 60 LYS HA 1 60 LYS QG 3.400 . 5.000 2.740 2.270 3.356 . 0 0 "[ . 1 ]" 1
388 1 60 LYS HA 1 61 GLU H 3.400 . 5.000 3.483 3.418 3.552 . 0 0 "[ . 1 ]" 1
389 1 60 LYS QB 1 61 GLU H 3.400 . 3.700 3.058 2.462 3.653 . 0 0 "[ . 1 ]" 1
390 1 61 GLU H 1 61 GLU QB 3.400 . 3.700 2.408 2.290 2.440 . 0 0 "[ . 1 ]" 1
391 1 61 GLU H 1 61 GLU QG 2.750 . 3.650 2.593 2.398 4.090 0.440 8 0 "[ . 1 ]" 1
392 1 61 GLU H 1 62 VAL H 3.400 . 3.700 2.556 2.343 2.685 . 0 0 "[ . 1 ]" 1
393 1 61 GLU HA 1 61 GLU QG 3.400 . 3.900 2.564 2.527 2.882 . 0 0 "[ . 1 ]" 1
394 1 61 GLU HA 1 64 LYS H 3.400 . 5.000 3.523 3.343 3.803 . 0 0 "[ . 1 ]" 1
395 1 61 GLU QB 1 62 VAL H 3.400 . 5.000 2.538 2.305 2.855 . 0 0 "[ . 1 ]" 1
396 1 61 GLU QG 1 65 ILE MD 3.400 . 4.200 4.317 2.175 4.959 0.759 7 3 "[ - . + * ]" 1
397 1 62 VAL H 1 62 VAL HB 2.750 . 3.650 2.518 2.393 2.643 . 0 0 "[ . 1 ]" 1
398 1 62 VAL H 1 62 VAL QG 2.750 . 3.650 2.035 1.914 2.245 . 0 0 "[ . 1 ]" 1
399 1 62 VAL H 1 63 TYR H 3.400 . 5.000 2.770 2.698 2.885 . 0 0 "[ . 1 ]" 1
400 1 62 VAL HB 1 63 TYR H 3.400 . 5.000 2.522 2.401 2.709 . 0 0 "[ . 1 ]" 1
401 1 62 VAL QG 1 63 TYR H 3.400 . 5.000 3.117 2.972 3.177 . 0 0 "[ . 1 ]" 1
402 1 63 TYR H 1 63 TYR QB 2.750 . 3.650 2.187 2.039 2.269 . 0 0 "[ . 1 ]" 1
403 1 63 TYR H 1 64 LYS H 2.750 . 3.650 2.732 2.668 2.804 . 0 0 "[ . 1 ]" 1
404 1 63 TYR H 1 65 ILE H 3.400 . 5.000 4.280 4.124 4.496 . 0 0 "[ . 1 ]" 1
405 1 63 TYR HA 1 63 TYR QD 3.400 . 5.000 2.650 2.035 3.031 . 0 0 "[ . 1 ]" 1
406 1 63 TYR QB 1 64 LYS H 3.400 . 5.000 2.630 2.472 2.928 . 0 0 "[ . 1 ]" 1
407 1 64 LYS H 1 64 LYS QG 3.400 . 5.000 2.725 2.105 4.044 . 0 0 "[ . 1 ]" 1
408 1 64 LYS H 1 65 ILE H 2.750 . 3.650 2.626 2.468 2.774 . 0 0 "[ . 1 ]" 1
409 1 64 LYS HA 1 64 LYS QG 3.400 . 4.200 2.422 2.272 2.938 . 0 0 "[ . 1 ]" 1
410 1 64 LYS HA 1 65 ILE H 3.400 . 5.000 3.535 3.498 3.561 . 0 0 "[ . 1 ]" 1
411 1 64 LYS HA 1 68 GLN H 3.400 . 5.000 4.781 4.372 4.989 . 0 0 "[ . 1 ]" 1
412 1 64 LYS QG 1 65 ILE H 3.400 . 5.000 4.075 3.639 4.387 . 0 0 "[ . 1 ]" 1
413 1 65 ILE H 1 65 ILE HB 3.400 . 3.700 2.586 2.450 2.684 . 0 0 "[ . 1 ]" 1
414 1 65 ILE H 1 65 ILE MD 2.750 . 3.650 3.347 3.058 3.528 . 0 0 "[ . 1 ]" 1
415 1 65 ILE H 1 65 ILE QG 3.400 . 3.700 2.036 1.789 2.267 0.011 10 0 "[ . 1 ]" 1
416 1 65 ILE H 1 65 ILE MG 3.400 . 5.000 3.774 3.754 3.794 . 0 0 "[ . 1 ]" 1
417 1 65 ILE H 1 66 HIS H 2.750 . 3.650 2.511 2.357 2.754 . 0 0 "[ . 1 ]" 1
418 1 65 ILE H 1 66 HIS QB 3.400 . 5.000 4.224 4.080 4.492 . 0 0 "[ . 1 ]" 1
419 1 65 ILE H 1 67 GLN H 3.400 . 5.000 4.219 3.965 4.432 . 0 0 "[ . 1 ]" 1
420 1 65 ILE HB 1 65 ILE MD 3.400 . 3.900 2.319 2.249 2.403 . 0 0 "[ . 1 ]" 1
421 1 65 ILE HB 1 66 HIS H 3.400 . 5.000 2.755 2.568 2.900 . 0 0 "[ . 1 ]" 1
422 1 66 HIS H 1 66 HIS QB 3.400 . 5.000 2.191 2.153 2.220 . 0 0 "[ . 1 ]" 1
423 1 66 HIS H 1 67 GLN H 3.400 . 5.000 2.711 2.568 2.873 . 0 0 "[ . 1 ]" 1
424 1 66 HIS HA 1 66 HIS HD2 3.400 . 3.700 2.309 2.178 2.470 . 0 0 "[ . 1 ]" 1
425 1 66 HIS QB 1 67 GLN H 3.400 . 5.000 2.473 2.282 2.687 . 0 0 "[ . 1 ]" 1
426 1 66 HIS HD2 1 69 LEU QB 3.400 . 4.200 2.986 2.235 3.605 . 0 0 "[ . 1 ]" 1
427 1 66 HIS HD2 1 69 LEU QD 3.400 . 3.700 3.070 2.096 3.740 0.040 8 0 "[ . 1 ]" 1
428 1 66 HIS HD2 1 70 LEU QD 3.400 . 4.200 3.359 2.739 4.006 . 0 0 "[ . 1 ]" 1
429 1 66 HIS HD2 1 70 LEU HG 3.400 . 4.200 3.324 2.584 4.227 0.027 2 0 "[ . 1 ]" 1
430 1 66 HIS HE1 1 70 LEU QD 3.400 . 5.000 3.961 3.043 4.607 . 0 0 "[ . 1 ]" 1
431 1 67 GLN H 1 67 GLN QB 3.400 . 5.000 2.313 2.078 2.595 . 0 0 "[ . 1 ]" 1
432 1 67 GLN H 1 67 GLN QG 3.400 . 5.000 3.095 1.943 4.004 . 0 0 "[ . 1 ]" 1
433 1 67 GLN H 1 68 GLN H 3.400 . 5.000 2.644 2.546 2.698 . 0 0 "[ . 1 ]" 1
434 1 67 GLN HA 1 67 GLN QG 3.400 . 5.000 2.716 2.323 3.371 . 0 0 "[ . 1 ]" 1
435 1 67 GLN HA 1 68 GLN H 3.400 . 5.000 3.480 3.445 3.522 . 0 0 "[ . 1 ]" 1
436 1 67 GLN HA 1 71 PHE H 3.400 . 5.000 4.392 3.852 4.960 . 0 0 "[ . 1 ]" 1
437 1 67 GLN QB 1 68 GLN H 2.750 . 3.650 3.065 2.638 3.676 0.026 12 0 "[ . 1 ]" 1
438 1 68 GLN H 1 68 GLN QB 2.750 . 3.650 2.280 2.142 2.441 . 0 0 "[ . 1 ]" 1
439 1 68 GLN H 1 68 GLN QG 3.400 . 5.000 3.115 2.281 3.984 . 0 0 "[ . 1 ]" 1
440 1 68 GLN H 1 69 LEU H 2.750 . 3.650 2.525 2.361 2.722 . 0 0 "[ . 1 ]" 1
441 1 68 GLN HA 1 69 LEU H 3.400 . 5.000 3.514 3.454 3.551 . 0 0 "[ . 1 ]" 1
442 1 69 LEU H 1 69 LEU QD 3.400 . 5.000 3.378 2.333 3.741 . 0 0 "[ . 1 ]" 1
443 1 69 LEU QD 1 73 ALA H 3.400 . 5.000 4.683 4.219 5.090 0.090 3 0 "[ . 1 ]" 1
444 1 70 LEU H 1 70 LEU QB 2.750 . 3.650 2.427 2.223 2.541 . 0 0 "[ . 1 ]" 1
445 1 70 LEU H 1 70 LEU QD 3.400 . 5.000 3.032 2.840 3.332 . 0 0 "[ . 1 ]" 1
446 1 70 LEU H 1 71 PHE H 3.400 . 3.700 2.638 2.334 2.732 . 0 0 "[ . 1 ]" 1
447 1 70 LEU HA 1 70 LEU QD 3.400 . 3.900 2.021 1.898 2.110 . 0 0 "[ . 1 ]" 1
448 1 70 LEU HA 1 71 PHE H 2.750 . 3.650 3.519 3.487 3.549 . 0 0 "[ . 1 ]" 1
449 1 70 LEU QB 1 71 PHE H 2.750 . 3.650 2.659 2.531 2.796 . 0 0 "[ . 1 ]" 1
450 1 70 LEU QB 1 72 LYS H 3.400 . 5.000 4.793 4.629 4.934 . 0 0 "[ . 1 ]" 1
451 1 70 LEU QD 1 71 PHE H 3.400 . 5.000 4.126 4.045 4.205 . 0 0 "[ . 1 ]" 1
452 1 71 PHE H 1 71 PHE QB 3.400 . 3.700 2.240 2.186 2.274 . 0 0 "[ . 1 ]" 1
453 1 71 PHE H 1 72 LYS H 3.400 . 3.700 2.674 2.575 2.771 . 0 0 "[ . 1 ]" 1
454 1 71 PHE HA 1 71 PHE QD 3.400 . 3.700 2.736 2.579 3.064 . 0 0 "[ . 1 ]" 1
455 1 71 PHE HA 1 72 LYS H 2.750 . 3.650 3.537 3.510 3.559 . 0 0 "[ . 1 ]" 1
456 1 71 PHE HA 1 74 ARG H 2.750 . 3.650 3.556 3.390 3.681 0.031 8 0 "[ . 1 ]" 1
457 1 71 PHE QB 1 71 PHE QE 3.400 . 3.700 3.906 3.899 3.910 0.210 2 0 "[ . 1 ]" 1
458 1 71 PHE QB 1 72 LYS H 3.400 . 3.700 2.506 2.329 2.665 . 0 0 "[ . 1 ]" 1
459 1 71 PHE QB 1 73 ALA H 3.400 . 5.000 4.661 4.506 4.803 . 0 0 "[ . 1 ]" 1
460 1 71 PHE QD 1 72 LYS HA 3.400 . 3.700 3.572 3.166 3.716 0.016 5 0 "[ . 1 ]" 1
461 1 72 LYS H 1 72 LYS QB 3.400 . 3.700 2.405 2.206 2.627 . 0 0 "[ . 1 ]" 1
462 1 72 LYS H 1 72 LYS QD 3.400 . 5.000 3.705 3.351 4.080 . 0 0 "[ . 1 ]" 1
463 1 72 LYS H 1 72 LYS QG 2.750 . 3.650 2.294 1.899 2.766 . 0 0 "[ . 1 ]" 1
464 1 72 LYS H 1 73 ALA H 3.400 . 3.700 2.625 2.537 2.700 . 0 0 "[ . 1 ]" 1
465 1 72 LYS HA 1 73 ALA H 3.400 . 3.700 3.517 3.483 3.547 . 0 0 "[ . 1 ]" 1
466 1 72 LYS HA 1 75 LEU H 3.400 . 5.000 3.366 3.226 3.515 . 0 0 "[ . 1 ]" 1
467 1 72 LYS HA 1 76 GLN H 3.400 . 5.000 3.897 3.608 4.405 . 0 0 "[ . 1 ]" 1
468 1 72 LYS QB 1 73 ALA H 3.400 . 3.700 2.632 2.472 2.781 . 0 0 "[ . 1 ]" 1
469 1 73 ALA H 1 73 ALA MB 3.400 . 3.700 2.231 2.214 2.241 . 0 0 "[ . 1 ]" 1
470 1 73 ALA H 1 74 ARG QB 3.400 . 5.000 4.621 4.445 4.779 . 0 0 "[ . 1 ]" 1
471 1 73 ALA MB 1 74 ARG H 3.400 . 3.700 2.744 2.505 2.885 . 0 0 "[ . 1 ]" 1
472 1 74 ARG H 1 74 ARG QB 3.400 . 3.700 2.326 2.154 2.441 . 0 0 "[ . 1 ]" 1
473 1 74 ARG H 1 74 ARG QD 3.400 . 5.000 4.063 3.702 4.544 . 0 0 "[ . 1 ]" 1
474 1 74 ARG H 1 74 ARG QG 3.400 . 3.700 2.611 2.285 3.156 . 0 0 "[ . 1 ]" 1
475 1 74 ARG QB 1 75 LEU H 3.400 . 3.700 2.863 2.639 3.132 . 0 0 "[ . 1 ]" 1
476 1 75 LEU H 1 75 LEU QB 3.400 . 3.700 2.323 2.110 2.538 . 0 0 "[ . 1 ]" 1
477 1 75 LEU H 1 75 LEU QD 3.400 . 5.000 3.302 2.365 3.772 . 0 0 "[ . 1 ]" 1
478 1 75 LEU H 1 76 GLN H 3.400 . 3.700 2.513 2.438 2.638 . 0 0 "[ . 1 ]" 1
479 1 75 LEU QB 1 76 GLN H 2.750 . 3.650 2.405 2.158 2.701 . 0 0 "[ . 1 ]" 1
480 1 75 LEU QD 1 76 GLN H 3.400 . 5.000 3.811 3.435 4.083 . 0 0 "[ . 1 ]" 1
481 1 76 GLN H 1 76 GLN QB 3.400 . 3.700 2.538 2.070 3.340 . 0 0 "[ . 1 ]" 1
482 1 76 GLN H 1 76 GLN QG 2.750 . 3.650 3.184 2.757 3.586 . 0 0 "[ . 1 ]" 1
483 1 76 GLN QB 1 77 GLN H 3.400 . 3.700 3.470 3.073 3.741 0.041 3 0 "[ . 1 ]" 1
484 1 77 GLN H 1 78 GLN H 2.750 . 3.650 2.369 2.074 2.984 . 0 0 "[ . 1 ]" 1
485 1 78 GLN H 1 78 GLN QB 3.400 . 3.700 2.551 2.146 3.060 . 0 0 "[ . 1 ]" 1
486 1 78 GLN H 1 78 GLN QG 2.750 . 3.650 2.734 1.863 3.529 . 0 0 "[ . 1 ]" 1
487 1 79 GLN QB 1 80 ALA H 3.400 . 5.000 3.497 2.187 3.864 . 0 0 "[ . 1 ]" 1
488 1 79 GLN QG 1 80 ALA H 3.400 . 5.000 3.635 2.097 4.731 . 0 0 "[ . 1 ]" 1
489 1 80 ALA H 1 80 ALA MB 3.400 . 3.700 2.276 2.221 2.394 . 0 0 "[ . 1 ]" 1
490 1 80 ALA MB 1 81 GLN H 3.400 . 5.000 2.968 2.170 3.454 . 0 0 "[ . 1 ]" 1
491 1 81 GLN H 1 81 GLN QB 2.750 . 3.650 2.478 2.246 2.818 . 0 0 "[ . 1 ]" 1
492 1 81 GLN H 1 81 GLN QG 3.400 . 5.000 3.292 1.995 4.317 . 0 0 "[ . 1 ]" 1
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