NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
441942 |
2kbv   |
16056 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kbv
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 487
_Distance_constraint_stats_list.Viol_count 1229
_Distance_constraint_stats_list.Viol_total 924.292
_Distance_constraint_stats_list.Viol_max 0.383
_Distance_constraint_stats_list.Viol_rms 0.0076
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0012
_Distance_constraint_stats_list.Viol_average_violations_only 0.0188
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 LYS 0.392 0.048 31 0 "[ . 1 . 2 . 3 . 4]"
1 3 ASP 0.556 0.177 29 0 "[ . 1 . 2 . 3 . 4]"
1 4 GLN 1.188 0.225 22 0 "[ . 1 . 2 . 3 . 4]"
1 5 PHE 1.343 0.091 29 0 "[ . 1 . 2 . 3 . 4]"
1 6 ILE 1.714 0.383 29 0 "[ . 1 . 2 . 3 . 4]"
1 7 ILE 0.836 0.060 11 0 "[ . 1 . 2 . 3 . 4]"
1 8 ALA 0.407 0.051 11 0 "[ . 1 . 2 . 3 . 4]"
1 9 TYR 1.326 0.076 11 0 "[ . 1 . 2 . 3 . 4]"
1 10 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 11 GLY 1.527 0.142 7 0 "[ . 1 . 2 . 3 . 4]"
1 12 LEU 2.249 0.205 24 0 "[ . 1 . 2 . 3 . 4]"
1 13 ARG 2.907 0.205 24 0 "[ . 1 . 2 . 3 . 4]"
1 14 GLY 1.341 0.150 10 0 "[ . 1 . 2 . 3 . 4]"
1 15 ALA 2.845 0.080 25 0 "[ . 1 . 2 . 3 . 4]"
1 16 ILE 3.781 0.080 25 0 "[ . 1 . 2 . 3 . 4]"
1 17 ALA 1.375 0.051 13 0 "[ . 1 . 2 . 3 . 4]"
1 18 PHE 1.154 0.051 13 0 "[ . 1 . 2 . 3 . 4]"
1 19 SER 0.706 0.058 33 0 "[ . 1 . 2 . 3 . 4]"
1 20 LEU 0.695 0.033 1 0 "[ . 1 . 2 . 3 . 4]"
1 21 GLY 0.002 0.002 38 0 "[ . 1 . 2 . 3 . 4]"
1 22 TYR 2.569 0.057 8 0 "[ . 1 . 2 . 3 . 4]"
1 23 LEU 5.177 0.093 14 0 "[ . 1 . 2 . 3 . 4]"
1 24 LEU 1.811 0.057 3 0 "[ . 1 . 2 . 3 . 4]"
1 25 ASP 1.463 0.053 20 0 "[ . 1 . 2 . 3 . 4]"
1 26 LYS 1.549 0.091 18 0 "[ . 1 . 2 . 3 . 4]"
1 27 LYS 0.282 0.093 14 0 "[ . 1 . 2 . 3 . 4]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 LYS H 1 2 LYS QB 2.800 . 2.800 2.606 2.293 2.812 0.012 31 0 "[ . 1 . 2 . 3 . 4]" 1
2 1 2 LYS H 1 2 LYS QD 5.000 . 5.000 4.677 3.965 5.019 0.019 10 0 "[ . 1 . 2 . 3 . 4]" 1
3 1 2 LYS H 1 2 LYS QE 5.000 . 5.000 4.813 3.596 5.026 0.026 39 0 "[ . 1 . 2 . 3 . 4]" 1
4 1 2 LYS H 1 2 LYS QG 5.000 . 5.000 3.773 1.798 4.325 0.002 14 0 "[ . 1 . 2 . 3 . 4]" 1
5 1 2 LYS H 1 3 ASP H 2.800 . 2.800 2.117 1.795 2.580 0.005 8 0 "[ . 1 . 2 . 3 . 4]" 1
6 1 2 LYS H 1 3 ASP HA 5.000 . 5.000 4.699 4.467 4.998 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
7 1 2 LYS H 1 4 GLN H 5.000 . 5.000 3.032 2.415 3.897 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
8 1 2 LYS H 1 5 PHE H 5.000 . 5.000 4.245 2.679 5.002 0.002 34 0 "[ . 1 . 2 . 3 . 4]" 1
9 1 2 LYS HA 1 2 LYS QB 2.800 . 2.800 2.433 2.210 2.539 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
10 1 2 LYS HA 1 2 LYS QD 5.000 . 5.000 3.641 2.299 4.089 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
11 1 2 LYS HA 1 2 LYS QG 3.400 . 3.400 2.318 2.143 2.736 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
12 1 2 LYS HA 1 3 ASP H 5.000 . 5.000 3.545 3.486 3.576 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
13 1 2 LYS HA 1 5 PHE HA 6.000 . 6.000 5.574 5.018 6.013 0.013 22 0 "[ . 1 . 2 . 3 . 4]" 1
14 1 2 LYS HA 1 5 PHE QB 3.400 . 3.400 2.912 2.332 3.403 0.003 10 0 "[ . 1 . 2 . 3 . 4]" 1
15 1 2 LYS HA 1 5 PHE QD 3.400 . 3.400 2.619 2.344 3.401 0.001 32 0 "[ . 1 . 2 . 3 . 4]" 1
16 1 2 LYS QB 1 2 LYS QD 2.800 . 2.800 2.271 2.147 2.772 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
17 1 2 LYS QB 1 3 ASP H 2.800 . 2.800 2.451 1.872 2.840 0.040 22 0 "[ . 1 . 2 . 3 . 4]" 1
18 1 2 LYS QB 1 3 ASP HA 5.000 . 5.000 3.930 3.663 4.165 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
19 1 2 LYS QB 1 5 PHE QD 5.000 . 5.000 4.288 2.316 5.000 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
20 1 2 LYS QE 1 2 LYS QG 3.400 . 3.400 2.282 2.095 2.903 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
21 1 2 LYS QE 1 3 ASP H 5.000 . 5.000 4.389 3.194 5.048 0.048 31 0 "[ . 1 . 2 . 3 . 4]" 1
22 1 2 LYS QE 1 6 ILE MD 3.400 . 3.400 3.187 2.189 3.404 0.004 27 0 "[ . 1 . 2 . 3 . 4]" 1
23 1 2 LYS QG 1 3 ASP H 5.000 . 5.000 3.905 2.752 4.438 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
24 1 3 ASP H 1 3 ASP QB 3.400 . 3.400 2.301 2.051 2.843 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
25 1 3 ASP H 1 4 GLN H 2.800 . 2.800 2.585 2.163 2.826 0.026 29 0 "[ . 1 . 2 . 3 . 4]" 1
26 1 3 ASP H 1 4 GLN QB 5.000 . 5.000 4.463 3.718 4.906 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
27 1 3 ASP H 1 4 GLN QG 5.000 . 5.000 4.559 3.830 5.058 0.058 22 0 "[ . 1 . 2 . 3 . 4]" 1
28 1 3 ASP H 1 5 PHE H 5.000 . 5.000 4.011 3.662 4.396 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
29 1 3 ASP H 1 6 ILE H 6.000 . 6.000 4.967 4.455 5.338 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
30 1 3 ASP H 1 6 ILE MD 5.000 . 5.000 4.191 3.483 5.008 0.008 17 0 "[ . 1 . 2 . 3 . 4]" 1
31 1 3 ASP HA 1 3 ASP QB 2.800 . 2.800 2.375 2.156 2.539 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
32 1 3 ASP HA 1 4 GLN H 5.000 . 5.000 3.448 3.338 3.575 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
33 1 3 ASP HA 1 4 GLN QB 6.000 . 6.000 5.334 5.078 5.517 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
34 1 3 ASP HA 1 5 PHE H 5.000 . 5.000 3.842 3.406 4.261 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
35 1 3 ASP HA 1 6 ILE H 5.000 . 5.000 3.441 2.984 3.718 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
36 1 3 ASP HA 1 6 ILE HB 3.400 . 3.400 2.946 2.347 3.501 0.101 29 0 "[ . 1 . 2 . 3 . 4]" 1
37 1 3 ASP HA 1 6 ILE MD 3.400 . 3.400 2.537 2.235 3.577 0.177 29 0 "[ . 1 . 2 . 3 . 4]" 1
38 1 3 ASP HA 1 6 ILE QG 5.000 . 5.000 3.992 2.093 4.527 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
39 1 3 ASP QB 1 4 GLN H 5.000 . 5.000 3.092 2.163 3.765 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
40 1 4 GLN H 1 4 GLN QB 2.800 . 2.800 2.281 2.111 2.496 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
41 1 4 GLN H 1 4 GLN QG 3.400 . 3.400 2.794 2.180 3.409 0.009 17 0 "[ . 1 . 2 . 3 . 4]" 1
42 1 4 GLN H 1 5 PHE H 2.800 . 2.800 2.381 2.204 2.789 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
43 1 4 GLN H 1 5 PHE HA 6.000 . 6.000 5.017 4.880 5.395 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
44 1 4 GLN H 1 5 PHE QB 5.000 . 5.000 4.252 3.873 4.909 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
45 1 4 GLN H 1 5 PHE QD 5.000 . 5.000 3.910 2.663 5.022 0.022 17 0 "[ . 1 . 2 . 3 . 4]" 1
46 1 4 GLN H 1 6 ILE H 5.000 . 5.000 4.065 3.700 4.620 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
47 1 4 GLN HA 1 4 GLN QB 2.800 . 2.800 2.434 2.157 2.531 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
48 1 4 GLN HA 1 4 GLN QG 2.800 . 2.800 2.344 2.172 3.025 0.225 22 0 "[ . 1 . 2 . 3 . 4]" 1
49 1 4 GLN HA 1 5 PHE H 3.400 . 3.400 3.411 3.319 3.491 0.091 29 0 "[ . 1 . 2 . 3 . 4]" 1
50 1 4 GLN HA 1 5 PHE HA 5.000 . 5.000 4.665 4.652 4.738 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
51 1 4 GLN HA 1 7 ILE QG 5.000 . 5.000 3.090 2.135 4.583 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
52 1 4 GLN QB 1 5 PHE H 5.000 . 5.000 3.097 2.824 3.382 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
53 1 4 GLN QB 1 5 PHE HA 5.000 . 5.000 4.054 3.937 4.798 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
54 1 4 GLN QB 1 5 PHE QB 5.000 . 5.000 4.378 3.902 4.664 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
55 1 4 GLN QB 1 5 PHE QD 6.000 . 6.000 4.136 2.810 5.845 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
56 1 4 GLN QB 1 8 ALA H 6.000 . 6.000 5.582 5.183 6.025 0.025 22 0 "[ . 1 . 2 . 3 . 4]" 1
57 1 4 GLN QE 1 7 ILE MD 5.000 . 5.000 4.184 2.034 5.006 0.006 8 0 "[ . 1 . 2 . 3 . 4]" 1
58 1 4 GLN QG 1 5 PHE H 5.000 . 5.000 4.348 2.904 4.728 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
59 1 4 GLN QG 1 7 ILE MD 5.000 . 5.000 4.085 2.683 5.013 0.013 27 0 "[ . 1 . 2 . 3 . 4]" 1
60 1 4 GLN QG 1 7 ILE MG 5.000 . 5.000 4.552 3.705 5.020 0.020 22 0 "[ . 1 . 2 . 3 . 4]" 1
61 1 5 PHE H 1 5 PHE QB 2.800 . 2.800 2.293 2.113 2.490 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
62 1 5 PHE H 1 5 PHE QD 5.000 . 5.000 2.653 1.813 3.650 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
63 1 5 PHE H 1 6 ILE H 3.400 . 3.400 2.294 2.226 2.423 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
64 1 5 PHE H 1 6 ILE HA 5.000 . 5.000 4.957 4.883 5.026 0.026 18 0 "[ . 1 . 2 . 3 . 4]" 1
65 1 5 PHE H 1 6 ILE HB 5.000 . 5.000 4.303 4.189 4.875 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
66 1 5 PHE H 1 6 ILE QG 5.000 . 5.000 4.276 3.327 4.592 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
67 1 5 PHE H 1 6 ILE MG 6.000 . 6.000 5.504 5.424 5.656 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
68 1 5 PHE H 1 7 ILE H 5.000 . 5.000 4.251 3.903 4.820 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
69 1 5 PHE H 1 7 ILE MG 6.000 . 6.000 4.907 3.665 6.037 0.037 17 0 "[ . 1 . 2 . 3 . 4]" 1
70 1 5 PHE H 1 8 ALA H 5.000 . 5.000 4.763 4.426 5.036 0.036 29 0 "[ . 1 . 2 . 3 . 4]" 1
71 1 5 PHE HA 1 5 PHE QB 2.800 . 2.800 2.307 2.161 2.538 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
72 1 5 PHE HA 1 5 PHE QD 3.400 . 3.400 3.027 2.502 3.333 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
73 1 5 PHE HA 1 6 ILE H 5.000 . 5.000 3.506 3.390 3.564 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
74 1 5 PHE HA 1 6 ILE HA 5.000 . 5.000 4.782 4.671 4.885 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
75 1 5 PHE HA 1 6 ILE HB 6.000 . 6.000 5.694 5.574 5.841 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
76 1 5 PHE HA 1 7 ILE H 5.000 . 5.000 4.946 4.580 5.024 0.024 18 0 "[ . 1 . 2 . 3 . 4]" 1
77 1 5 PHE HA 1 8 ALA H 5.000 . 5.000 3.701 3.489 3.957 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
78 1 5 PHE HA 1 8 ALA MB 3.400 . 3.400 2.594 2.269 2.952 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
79 1 5 PHE HA 1 9 TYR H 5.000 . 5.000 4.768 4.324 5.007 0.007 5 0 "[ . 1 . 2 . 3 . 4]" 1
80 1 5 PHE HA 1 9 TYR QB 6.000 . 6.000 5.624 4.810 6.006 0.006 7 0 "[ . 1 . 2 . 3 . 4]" 1
81 1 5 PHE HA 1 9 TYR QD 5.000 . 5.000 4.252 3.785 4.823 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
82 1 5 PHE HA 1 9 TYR QE 5.000 . 5.000 4.602 3.642 5.003 0.003 25 0 "[ . 1 . 2 . 3 . 4]" 1
83 1 5 PHE QB 1 5 PHE QD 2.800 . 2.800 2.151 2.148 2.154 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
84 1 5 PHE QB 1 6 ILE H 3.400 . 3.400 2.841 2.354 3.405 0.005 5 0 "[ . 1 . 2 . 3 . 4]" 1
85 1 5 PHE QB 1 6 ILE MD 5.000 . 5.000 4.292 2.960 5.001 0.001 32 0 "[ . 1 . 2 . 3 . 4]" 1
86 1 5 PHE QB 1 6 ILE MG 6.000 . 6.000 4.825 3.966 5.551 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
87 1 5 PHE QB 1 8 ALA MB 5.000 . 5.000 4.034 3.638 4.392 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
88 1 5 PHE QB 1 9 TYR QE 5.000 . 5.000 4.573 2.330 5.004 0.004 18 0 "[ . 1 . 2 . 3 . 4]" 1
89 1 5 PHE QD 1 6 ILE H 5.000 . 5.000 3.638 2.473 4.501 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
90 1 5 PHE QD 1 6 ILE HA 6.000 . 6.000 5.021 3.462 5.922 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
91 1 5 PHE QD 1 6 ILE MD 5.000 . 5.000 4.421 3.061 5.015 0.015 18 0 "[ . 1 . 2 . 3 . 4]" 1
92 1 5 PHE QD 1 6 ILE QG 5.000 . 5.000 4.053 2.331 5.009 0.009 8 0 "[ . 1 . 2 . 3 . 4]" 1
93 1 5 PHE QD 1 8 ALA MB 5.000 . 5.000 4.155 3.404 4.885 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
94 1 5 PHE QD 1 9 TYR QD 5.000 . 5.000 4.008 2.344 5.028 0.028 11 0 "[ . 1 . 2 . 3 . 4]" 1
95 1 5 PHE QD 1 9 TYR QE 5.000 . 5.000 3.890 2.816 5.003 0.003 25 0 "[ . 1 . 2 . 3 . 4]" 1
96 1 6 ILE H 1 6 ILE HB 2.800 . 2.800 2.341 2.237 2.641 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
97 1 6 ILE H 1 6 ILE MD 3.400 . 3.400 2.837 2.028 3.298 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
98 1 6 ILE H 1 6 ILE QG 3.400 . 3.400 2.531 1.802 2.912 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
99 1 6 ILE H 1 7 ILE H 3.400 . 3.400 2.773 2.499 3.081 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
100 1 6 ILE HA 1 6 ILE QG 3.400 . 3.400 2.316 2.228 3.073 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
101 1 6 ILE HA 1 6 ILE MG 2.800 . 2.800 2.437 2.308 2.545 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
102 1 6 ILE HA 1 7 ILE H 5.000 . 5.000 3.573 3.566 3.577 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
103 1 6 ILE HA 1 8 ALA H 5.000 . 5.000 3.794 3.498 4.328 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
104 1 6 ILE HA 1 8 ALA MB 5.000 . 5.000 4.511 4.340 4.847 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
105 1 6 ILE HA 1 9 TYR H 3.400 . 3.400 3.274 2.921 3.475 0.075 11 0 "[ . 1 . 2 . 3 . 4]" 1
106 1 6 ILE HA 1 9 TYR HA 6.000 . 6.000 5.662 4.866 5.978 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
107 1 6 ILE HA 1 9 TYR QB 5.000 . 5.000 3.138 2.510 3.562 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
108 1 6 ILE HA 1 9 TYR QD 5.000 . 5.000 4.368 2.725 5.037 0.037 32 0 "[ . 1 . 2 . 3 . 4]" 1
109 1 6 ILE HA 1 11 GLY QA 5.000 . 5.000 4.698 3.810 5.021 0.021 32 0 "[ . 1 . 2 . 3 . 4]" 1
110 1 6 ILE HB 1 6 ILE MD 2.800 . 2.800 2.232 2.130 3.183 0.383 29 0 "[ . 1 . 2 . 3 . 4]" 1
111 1 6 ILE HB 1 6 ILE QG 2.800 . 2.800 2.479 2.179 2.549 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
112 1 6 ILE HB 1 7 ILE H 3.400 . 3.400 2.337 1.974 2.559 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
113 1 6 ILE HB 1 7 ILE HA 5.000 . 5.000 4.427 4.002 4.575 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
114 1 6 ILE QG 1 6 ILE MG 2.800 . 2.800 2.154 1.886 2.298 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
115 1 6 ILE QG 1 7 ILE H 5.000 . 5.000 4.124 3.523 4.239 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
116 1 6 ILE QG 1 11 GLY H 5.000 . 5.000 4.943 4.547 5.067 0.067 29 0 "[ . 1 . 2 . 3 . 4]" 1
117 1 6 ILE MG 1 7 ILE H 3.400 . 3.400 2.794 2.375 3.215 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
118 1 6 ILE MG 1 9 TYR QB 5.000 . 5.000 4.563 3.270 5.038 0.038 19 0 "[ . 1 . 2 . 3 . 4]" 1
119 1 7 ILE H 1 7 ILE HA 2.800 . 2.800 2.771 2.725 2.799 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
120 1 7 ILE H 1 7 ILE MD 5.000 . 5.000 3.761 1.786 4.303 0.014 17 0 "[ . 1 . 2 . 3 . 4]" 1
121 1 7 ILE H 1 7 ILE QG 5.000 . 5.000 2.733 1.793 3.958 0.007 21 0 "[ . 1 . 2 . 3 . 4]" 1
122 1 7 ILE H 1 8 ALA H 2.800 . 2.800 2.754 2.685 2.825 0.025 19 0 "[ . 1 . 2 . 3 . 4]" 1
123 1 7 ILE H 1 8 ALA HA 6.000 . 6.000 5.328 5.253 5.427 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
124 1 7 ILE H 1 8 ALA MB 5.000 . 5.000 4.360 4.242 4.477 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
125 1 7 ILE HA 1 7 ILE QG 3.400 . 3.400 2.902 2.234 3.344 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
126 1 7 ILE HA 1 7 ILE MG 3.400 . 3.400 2.596 2.222 3.192 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
127 1 7 ILE HA 1 8 ALA H 5.000 . 5.000 3.437 3.349 3.538 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
128 1 7 ILE HA 1 8 ALA MB 5.000 . 5.000 4.960 4.907 5.022 0.022 27 0 "[ . 1 . 2 . 3 . 4]" 1
129 1 7 ILE HA 1 11 GLY H 3.400 . 3.400 3.389 3.221 3.460 0.060 11 0 "[ . 1 . 2 . 3 . 4]" 1
130 1 7 ILE HB 1 7 ILE QG . . 2.800 2.402 2.284 2.541 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
131 1 7 ILE HB 1 8 ALA H 5.000 . 5.000 3.582 3.015 3.885 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
132 1 7 ILE HB 1 8 ALA MB 6.000 . 6.000 5.032 4.301 5.441 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
133 1 7 ILE HB 1 11 GLY H 6.000 . 6.000 5.749 5.561 5.964 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
134 1 7 ILE QG 1 7 ILE MG 2.800 . 2.800 2.197 1.877 2.397 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
135 1 7 ILE QG 1 8 ALA H 5.000 . 5.000 3.028 1.854 4.673 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
136 1 7 ILE MG 1 8 ALA H 5.000 . 5.000 3.395 1.795 4.210 0.005 40 0 "[ . 1 . 2 . 3 . 4]" 1
137 1 7 ILE MG 1 11 GLY H 5.000 . 5.000 3.918 3.597 4.519 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
138 1 8 ALA H 1 8 ALA MB 2.800 . 2.800 2.172 2.026 2.300 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
139 1 8 ALA H 1 9 TYR HA 6.000 . 6.000 5.091 4.935 5.333 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
140 1 8 ALA H 1 9 TYR QB 5.000 . 5.000 4.653 4.137 5.013 0.013 17 0 "[ . 1 . 2 . 3 . 4]" 1
141 1 8 ALA H 1 9 TYR QD 5.000 . 5.000 4.494 4.014 4.945 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
142 1 8 ALA H 1 12 LEU QD 6.000 . 6.000 4.738 4.364 5.126 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
143 1 8 ALA HA 1 9 TYR HA 5.000 . 5.000 4.326 3.646 4.703 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
144 1 8 ALA HA 1 9 TYR QB 6.000 . 6.000 5.364 5.207 5.612 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
145 1 8 ALA HA 1 9 TYR QD 5.000 . 5.000 4.846 4.136 5.051 0.051 11 0 "[ . 1 . 2 . 3 . 4]" 1
146 1 8 ALA MB 1 9 TYR H 3.400 . 3.400 2.726 2.349 2.972 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
147 1 8 ALA MB 1 9 TYR HA 5.000 . 5.000 4.055 3.802 4.301 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
148 1 8 ALA MB 1 9 TYR QB 5.000 . 5.000 3.872 3.658 4.117 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
149 1 8 ALA MB 1 9 TYR QD 3.400 . 3.400 2.773 2.328 3.334 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
150 1 8 ALA MB 1 9 TYR QE 5.000 . 5.000 3.176 2.490 4.459 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
151 1 8 ALA MB 1 10 GLY H 6.000 . 6.000 4.482 4.057 5.409 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
152 1 8 ALA MB 1 11 GLY H 6.000 . 6.000 5.364 4.832 6.029 0.029 7 0 "[ . 1 . 2 . 3 . 4]" 1
153 1 9 TYR H 1 9 TYR QB 3.400 . 3.400 2.582 2.112 2.863 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
154 1 9 TYR H 1 9 TYR QD 3.400 . 3.400 3.131 2.392 3.447 0.047 25 0 "[ . 1 . 2 . 3 . 4]" 1
155 1 9 TYR H 1 12 LEU QD 6.000 . 6.000 5.002 4.180 6.033 0.033 29 0 "[ . 1 . 2 . 3 . 4]" 1
156 1 9 TYR HA 1 9 TYR QD 3.400 . 3.400 2.571 2.323 2.983 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
157 1 9 TYR HA 1 9 TYR QE 5.000 . 5.000 4.462 4.180 4.643 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
158 1 9 TYR HA 1 10 GLY H 5.000 . 5.000 3.446 2.247 3.576 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
159 1 9 TYR HA 1 10 GLY QA 5.000 . 5.000 4.398 3.909 4.539 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
160 1 9 TYR HA 1 12 LEU QD 5.000 . 5.000 3.684 2.171 5.024 0.024 7 0 "[ . 1 . 2 . 3 . 4]" 1
161 1 9 TYR HA 1 12 LEU HG 6.000 . 6.000 4.662 2.566 6.076 0.076 11 0 "[ . 1 . 2 . 3 . 4]" 1
162 1 9 TYR QB 1 9 TYR QD 2.800 . 2.800 2.163 2.148 2.206 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
163 1 9 TYR QB 1 10 GLY H 5.000 . 5.000 2.459 1.815 3.784 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
164 1 9 TYR QB 1 10 GLY QA 5.000 . 5.000 3.456 3.198 3.927 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
165 1 9 TYR QD 1 10 GLY H 5.000 . 5.000 4.050 3.393 4.911 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
166 1 9 TYR QD 1 10 GLY QA 6.000 . 6.000 5.261 4.912 5.694 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
167 1 9 TYR QD 1 12 LEU QB 5.000 . 5.000 3.946 2.630 4.954 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
168 1 9 TYR QD 1 12 LEU QD 5.000 . 5.000 3.362 2.212 4.691 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
169 1 9 TYR QD 1 12 LEU HG 5.000 . 5.000 4.492 3.195 5.041 0.041 8 0 "[ . 1 . 2 . 3 . 4]" 1
170 1 9 TYR QE 1 12 LEU QD 5.000 . 5.000 4.256 3.261 5.007 0.007 29 0 "[ . 1 . 2 . 3 . 4]" 1
171 1 10 GLY H 1 10 GLY QA 2.800 . 2.800 2.229 2.194 2.422 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
172 1 10 GLY QA 1 11 GLY H 2.800 . 2.800 2.201 1.978 2.593 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
173 1 10 GLY QA 1 13 ARG H 5.000 . 5.000 4.181 3.020 4.756 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
174 1 10 GLY QA 1 13 ARG QB 5.000 . 5.000 3.716 2.273 4.308 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
175 1 10 GLY QA 1 13 ARG QD 6.000 . 6.000 3.984 2.197 5.413 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
176 1 11 GLY H 1 11 GLY QA 2.800 . 2.800 2.274 2.193 2.446 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
177 1 11 GLY H 1 12 LEU H 3.400 . 3.400 2.265 1.787 2.609 0.013 24 0 "[ . 1 . 2 . 3 . 4]" 1
178 1 11 GLY H 1 12 LEU HA 5.000 . 5.000 4.561 3.919 4.884 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
179 1 11 GLY H 1 12 LEU QD 6.000 . 6.000 4.942 3.442 5.826 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
180 1 11 GLY H 1 13 ARG H 5.000 . 5.000 4.331 3.218 5.056 0.056 11 0 "[ . 1 . 2 . 3 . 4]" 1
181 1 11 GLY H 1 13 ARG QB 6.000 . 6.000 5.310 4.070 6.097 0.097 10 0 "[ . 1 . 2 . 3 . 4]" 1
182 1 11 GLY H 1 13 ARG QD 5.000 . 5.000 4.693 3.470 5.142 0.142 7 0 "[ . 1 . 2 . 3 . 4]" 1
183 1 11 GLY H 1 16 ILE MG 5.000 . 5.000 4.504 3.925 5.003 0.003 29 0 "[ . 1 . 2 . 3 . 4]" 1
184 1 11 GLY QA 1 12 LEU H 3.400 . 3.400 2.716 2.376 2.919 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
185 1 11 GLY QA 1 13 ARG H 5.000 . 5.000 4.180 2.872 5.024 0.024 6 0 "[ . 1 . 2 . 3 . 4]" 1
186 1 12 LEU H 1 12 LEU HA 2.800 . 2.800 2.536 2.207 2.617 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
187 1 12 LEU H 1 12 LEU QB 2.800 . 2.800 1.989 1.853 2.157 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
188 1 12 LEU H 1 12 LEU QD 5.000 . 5.000 3.442 2.053 4.086 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
189 1 12 LEU H 1 12 LEU HG 5.000 . 5.000 3.748 1.940 4.621 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
190 1 12 LEU H 1 13 ARG H 5.000 . 5.000 2.745 1.780 3.835 0.020 2 0 "[ . 1 . 2 . 3 . 4]" 1
191 1 12 LEU H 1 13 ARG HA 6.000 . 6.000 4.289 3.540 5.067 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
192 1 12 LEU H 1 13 ARG QB 5.000 . 5.000 3.855 3.006 4.905 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
193 1 12 LEU H 1 13 ARG QG 6.000 2.800 6.000 4.460 3.223 5.259 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
194 1 12 LEU H 1 14 GLY H 6.000 . 6.000 4.591 3.209 6.020 0.020 24 0 "[ . 1 . 2 . 3 . 4]" 1
195 1 12 LEU H 1 15 ALA H 5.000 . 5.000 3.711 2.906 4.579 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
196 1 12 LEU H 1 16 ILE HB 3.400 . 3.400 2.631 2.278 2.891 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
197 1 12 LEU HA 1 12 LEU QD 3.400 . 3.400 2.536 1.997 3.420 0.020 2 0 "[ . 1 . 2 . 3 . 4]" 1
198 1 12 LEU HA 1 13 ARG H 5.000 . 5.000 3.472 2.348 3.576 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
199 1 12 LEU HA 1 14 GLY H 5.000 . 5.000 3.795 2.908 5.097 0.097 11 0 "[ . 1 . 2 . 3 . 4]" 1
200 1 12 LEU QB 1 14 GLY H 5.000 . 5.000 3.915 2.497 4.622 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
201 1 12 LEU QB 1 16 ILE HB 5.000 . 5.000 4.077 3.724 4.244 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
202 1 12 LEU QD 1 13 ARG H 5.000 . 5.000 3.297 2.313 4.357 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
203 1 12 LEU QD 1 13 ARG HA 5.000 . 5.000 3.787 2.344 5.007 0.007 21 0 "[ . 1 . 2 . 3 . 4]" 1
204 1 12 LEU QD 1 13 ARG QB 5.000 . 5.000 4.133 2.887 5.092 0.092 7 0 "[ . 1 . 2 . 3 . 4]" 1
205 1 12 LEU QD 1 15 ALA H 5.000 . 5.000 4.007 1.982 4.972 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
206 1 12 LEU QD 1 16 ILE H 5.000 . 5.000 4.432 3.696 5.048 0.048 38 0 "[ . 1 . 2 . 3 . 4]" 1
207 1 12 LEU QD 1 16 ILE HB 5.000 . 5.000 4.878 3.573 5.024 0.024 24 0 "[ . 1 . 2 . 3 . 4]" 1
208 1 12 LEU HG 1 13 ARG H 5.000 . 5.000 2.813 1.803 4.594 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
209 1 12 LEU HG 1 13 ARG HA 5.000 . 5.000 3.927 2.999 5.205 0.205 24 0 "[ . 1 . 2 . 3 . 4]" 1
210 1 12 LEU HG 1 14 GLY QA 6.000 . 6.000 4.510 2.589 6.150 0.150 10 0 "[ . 1 . 2 . 3 . 4]" 1
211 1 12 LEU HG 1 15 ALA H 6.000 . 6.000 4.780 1.948 6.012 0.012 38 0 "[ . 1 . 2 . 3 . 4]" 1
212 1 13 ARG H 1 13 ARG QB 3.400 . 3.400 2.707 2.066 3.061 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
213 1 13 ARG H 1 13 ARG QD 5.000 . 5.000 2.751 1.774 4.154 0.026 25 0 "[ . 1 . 2 . 3 . 4]" 1
214 1 13 ARG H 1 13 ARG QG 5.000 . 5.000 3.636 1.751 4.267 0.049 10 0 "[ . 1 . 2 . 3 . 4]" 1
215 1 13 ARG H 1 14 GLY H 3.400 . 3.400 2.896 2.506 3.386 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
216 1 13 ARG H 1 14 GLY QA 5.000 . 5.000 4.568 4.242 4.884 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
217 1 13 ARG H 1 15 ALA H 5.000 . 5.000 4.641 3.066 5.042 0.042 17 0 "[ . 1 . 2 . 3 . 4]" 1
218 1 13 ARG H 1 16 ILE MD 6.000 . 6.000 4.983 2.295 5.793 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
219 1 13 ARG HA 1 13 ARG QB 2.800 . 2.800 2.435 2.170 2.542 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
220 1 13 ARG HA 1 13 ARG QD 5.000 . 5.000 2.659 2.209 3.857 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
221 1 13 ARG HA 1 13 ARG HE 5.000 . 5.000 3.996 2.206 4.954 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
222 1 13 ARG HA 1 13 ARG QG 3.400 . 3.400 2.515 2.262 3.487 0.087 2 0 "[ . 1 . 2 . 3 . 4]" 1
223 1 13 ARG HA 1 14 GLY H 5.000 . 5.000 3.169 2.456 3.537 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
224 1 13 ARG HA 1 15 ALA H 5.000 . 5.000 3.458 2.932 4.504 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
225 1 13 ARG HA 1 15 ALA MB 5.000 . 5.000 4.367 3.458 5.009 0.009 28 0 "[ . 1 . 2 . 3 . 4]" 1
226 1 13 ARG HA 1 16 ILE H 5.000 . 5.000 3.923 2.953 5.026 0.026 39 0 "[ . 1 . 2 . 3 . 4]" 1
227 1 13 ARG HA 1 16 ILE HB 6.000 . 6.000 4.041 2.346 5.672 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
228 1 13 ARG HA 1 16 ILE MD 5.000 . 5.000 3.499 2.287 4.763 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
229 1 13 ARG HA 1 16 ILE QG 6.000 2.800 6.000 4.903 3.149 6.035 0.035 30 0 "[ . 1 . 2 . 3 . 4]" 1
230 1 13 ARG QB 1 13 ARG QD 3.400 . 3.400 2.294 2.153 2.915 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
231 1 13 ARG QB 1 13 ARG HE 5.000 . 5.000 3.705 1.827 4.325 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
232 1 13 ARG QB 1 13 ARG QH 5.000 . 5.000 3.643 1.787 4.141 0.013 21 0 "[ . 1 . 2 . 3 . 4]" 1
233 1 13 ARG QB 1 14 GLY H 5.000 . 5.000 3.419 2.645 4.003 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
234 1 13 ARG QB 1 15 ALA H 5.000 . 5.000 4.002 2.043 5.037 0.037 25 0 "[ . 1 . 2 . 3 . 4]" 1
235 1 13 ARG QB 1 15 ALA MB 6.000 . 6.000 4.885 2.681 6.035 0.035 24 0 "[ . 1 . 2 . 3 . 4]" 1
236 1 13 ARG QD 1 13 ARG HE 2.800 . 2.800 2.286 2.205 2.504 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
237 1 13 ARG QD 1 13 ARG QH 3.400 . 3.400 1.859 1.758 2.059 0.042 38 0 "[ . 1 . 2 . 3 . 4]" 1
238 1 13 ARG HE 1 13 ARG QG . . 3.400 2.778 2.044 3.217 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
239 1 13 ARG QG 1 14 GLY H 5.000 . 5.000 4.331 2.644 4.897 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
240 1 13 ARG QG 1 14 GLY QA 6.000 . 6.000 4.612 3.041 5.290 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
241 1 13 ARG QH 1 15 ALA MB 5.000 . 5.000 4.461 2.145 5.066 0.066 38 0 "[ . 1 . 2 . 3 . 4]" 1
242 1 13 ARG QH 1 16 ILE MD 5.000 . 5.000 3.458 1.823 5.071 0.071 17 0 "[ . 1 . 2 . 3 . 4]" 1
243 1 14 GLY H 1 14 GLY QA 2.800 . 2.800 2.241 2.195 2.410 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
244 1 14 GLY H 1 15 ALA H 3.400 . 3.400 2.676 1.793 3.357 0.007 40 0 "[ . 1 . 2 . 3 . 4]" 1
245 1 14 GLY H 1 15 ALA HA 6.000 . 6.000 5.156 4.518 5.521 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
246 1 14 GLY H 1 15 ALA MB 5.000 . 5.000 4.219 3.408 4.728 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
247 1 14 GLY H 1 16 ILE H 5.000 . 5.000 4.138 3.167 5.008 0.008 34 0 "[ . 1 . 2 . 3 . 4]" 1
248 1 14 GLY QA 1 15 ALA H 3.400 . 3.400 2.853 2.594 2.918 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
249 1 14 GLY QA 1 15 ALA HA 5.000 . 5.000 3.999 3.908 4.105 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
250 1 14 GLY QA 1 16 ILE H 5.000 . 5.000 4.046 3.177 5.003 0.003 6 0 "[ . 1 . 2 . 3 . 4]" 1
251 1 14 GLY QA 1 17 ALA H 5.000 . 5.000 3.861 2.822 4.564 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
252 1 14 GLY QA 1 18 PHE H 3.400 . 3.400 3.352 3.142 3.451 0.051 13 0 "[ . 1 . 2 . 3 . 4]" 1
253 1 14 GLY QA 1 18 PHE QB 5.000 . 5.000 4.432 3.734 4.997 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
254 1 15 ALA H 1 15 ALA MB 2.800 . 2.800 2.348 2.031 2.741 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
255 1 15 ALA H 1 16 ILE H 3.400 . 3.400 2.237 1.731 3.111 0.069 17 0 "[ . 1 . 2 . 3 . 4]" 1
256 1 15 ALA H 1 16 ILE HA 6.000 . 6.000 4.867 4.422 5.578 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
257 1 15 ALA H 1 16 ILE HB 5.000 . 5.000 4.142 3.637 4.910 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
258 1 15 ALA H 1 16 ILE MD 5.000 . 5.000 3.158 2.390 4.044 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
259 1 15 ALA H 1 16 ILE QG 6.000 . 6.000 5.146 4.527 5.991 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
260 1 15 ALA H 1 16 ILE MG 6.000 . 6.000 5.338 4.883 5.978 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
261 1 15 ALA H 1 18 PHE H 5.000 . 5.000 4.582 3.821 5.012 0.012 19 0 "[ . 1 . 2 . 3 . 4]" 1
262 1 15 ALA H 1 18 PHE QB 5.000 . 5.000 4.865 4.236 5.016 0.016 34 0 "[ . 1 . 2 . 3 . 4]" 1
263 1 15 ALA HA 1 16 ILE H 5.000 . 5.000 3.468 3.325 3.572 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
264 1 15 ALA HA 1 16 ILE MG 6.000 . 6.000 6.048 5.993 6.080 0.080 25 0 "[ . 1 . 2 . 3 . 4]" 1
265 1 15 ALA HA 1 17 ALA H 5.000 . 5.000 4.663 4.235 5.010 0.010 38 0 "[ . 1 . 2 . 3 . 4]" 1
266 1 15 ALA HA 1 18 PHE H 5.000 3.400 5.000 3.749 3.394 4.110 0.006 4 0 "[ . 1 . 2 . 3 . 4]" 1
267 1 15 ALA HA 1 18 PHE QB 3.400 . 3.400 3.061 2.667 3.411 0.011 25 0 "[ . 1 . 2 . 3 . 4]" 1
268 1 15 ALA HA 1 18 PHE QD 3.400 . 3.400 2.724 2.345 3.316 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
269 1 15 ALA HA 1 18 PHE QE 5.000 . 5.000 4.572 4.072 5.005 0.005 2 0 "[ . 1 . 2 . 3 . 4]" 1
270 1 15 ALA HA 1 19 SER H 5.000 . 5.000 4.150 3.450 4.711 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
271 1 15 ALA MB 1 16 ILE H 3.400 . 3.400 2.761 1.949 3.222 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
272 1 15 ALA MB 1 16 ILE HA 5.000 . 5.000 3.702 3.415 3.877 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
273 1 15 ALA MB 1 18 PHE QD 5.000 . 5.000 3.643 3.091 4.156 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
274 1 15 ALA MB 1 18 PHE QE 5.000 . 5.000 4.463 3.813 5.002 0.002 25 0 "[ . 1 . 2 . 3 . 4]" 1
275 1 16 ILE H 1 16 ILE HB 3.400 . 3.400 2.290 2.204 2.380 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
276 1 16 ILE H 1 16 ILE MD 3.400 . 3.400 1.975 1.767 2.242 0.033 17 0 "[ . 1 . 2 . 3 . 4]" 1
277 1 16 ILE H 1 16 ILE QG 5.000 . 5.000 3.486 3.318 3.655 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
278 1 16 ILE H 1 17 ALA H 2.800 . 2.800 2.501 2.244 2.813 0.013 34 0 "[ . 1 . 2 . 3 . 4]" 1
279 1 16 ILE HA 1 16 ILE MD 2.800 . 2.800 2.411 2.256 2.748 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
280 1 16 ILE HA 1 16 ILE QG 3.400 . 3.400 2.355 2.315 2.402 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
281 1 16 ILE HA 1 16 ILE MG 2.800 . 2.800 2.494 2.354 2.576 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
282 1 16 ILE HA 1 17 ALA H 5.000 . 5.000 3.364 3.169 3.478 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
283 1 16 ILE HA 1 17 ALA HA 5.000 . 5.000 4.439 4.214 4.566 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
284 1 16 ILE HA 1 17 ALA MB 5.000 3.400 5.000 5.015 4.997 5.031 0.031 5 0 "[ . 1 . 2 . 3 . 4]" 1
285 1 16 ILE HA 1 18 PHE H 5.000 . 5.000 4.080 3.811 4.386 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
286 1 16 ILE HA 1 19 SER H 5.000 . 5.000 3.316 2.835 3.790 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
287 1 16 ILE HA 1 20 LEU QD 5.000 . 5.000 3.841 3.218 4.978 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
288 1 16 ILE HA 1 20 LEU QD 5.000 . 5.000 3.163 2.332 3.648 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
289 1 16 ILE HB 1 16 ILE MD 2.800 . 2.800 2.328 2.259 2.383 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
290 1 16 ILE HB 1 16 ILE QG . . 2.800 2.355 2.329 2.386 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
291 1 16 ILE HB 1 17 ALA HA 5.000 . 5.000 4.531 4.290 4.704 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
292 1 16 ILE HB 1 18 PHE H 5.000 . 5.000 4.916 4.586 5.012 0.012 21 0 "[ . 1 . 2 . 3 . 4]" 1
293 1 16 ILE HB 1 20 LEU QB 6.000 2.800 6.000 5.888 5.198 6.033 0.033 1 0 "[ . 1 . 2 . 3 . 4]" 1
294 1 16 ILE QG 1 16 ILE MG 2.800 . 2.800 2.093 2.063 2.104 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
295 1 16 ILE QG 1 17 ALA H 5.000 . 5.000 4.455 4.249 4.610 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
296 1 16 ILE QG 1 17 ALA HA 6.000 2.800 6.000 5.715 5.626 5.758 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
297 1 16 ILE MG 1 17 ALA H 3.400 . 3.400 2.910 2.558 3.149 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
298 1 16 ILE MG 1 17 ALA HA 3.400 . 3.400 3.112 2.917 3.237 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
299 1 16 ILE MG 1 18 PHE H 5.000 . 5.000 4.556 4.308 4.746 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
300 1 17 ALA H 1 18 PHE H 3.400 . 3.400 2.633 2.357 2.803 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
301 1 17 ALA H 1 18 PHE QB 6.000 . 6.000 4.041 3.783 4.272 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
302 1 17 ALA H 1 18 PHE QD 6.000 . 6.000 5.342 5.069 5.615 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
303 1 17 ALA HA 1 18 PHE HA 5.000 . 5.000 4.240 4.206 4.286 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
304 1 17 ALA HA 1 18 PHE QB 5.000 . 5.000 4.310 4.274 4.362 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
305 1 17 ALA HA 1 20 LEU QD 5.000 . 5.000 2.981 2.098 3.307 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
306 1 17 ALA HA 1 20 LEU QD 3.400 . 3.400 3.044 2.099 3.425 0.025 10 0 "[ . 1 . 2 . 3 . 4]" 1
307 1 17 ALA HA 1 20 LEU HG 6.000 . 6.000 4.845 3.018 5.951 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
308 1 17 ALA MB 1 18 PHE H 2.800 . 2.800 2.760 2.567 2.812 0.012 21 0 "[ . 1 . 2 . 3 . 4]" 1
309 1 17 ALA MB 1 18 PHE HA 5.000 . 5.000 3.846 3.709 3.939 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
310 1 17 ALA MB 1 18 PHE QB 5.000 . 5.000 3.799 3.573 4.008 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
311 1 17 ALA MB 1 18 PHE QD 6.000 . 6.000 5.262 5.138 5.344 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
312 1 18 PHE H 1 18 PHE QB 3.400 . 3.400 2.104 2.048 2.146 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
313 1 18 PHE H 1 18 PHE QD 3.400 . 3.400 3.403 3.293 3.432 0.032 34 0 "[ . 1 . 2 . 3 . 4]" 1
314 1 18 PHE H 1 18 PHE QE 6.000 2.800 6.000 5.547 5.470 5.622 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
315 1 18 PHE H 1 19 SER H 3.400 . 3.400 2.445 2.234 2.677 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
316 1 18 PHE H 1 20 LEU QD 5.000 . 5.000 4.686 4.205 4.976 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
317 1 18 PHE HA 1 18 PHE QB 2.800 . 2.800 2.174 2.163 2.184 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
318 1 18 PHE HA 1 18 PHE QE 6.000 2.800 6.000 5.123 5.077 5.180 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
319 1 18 PHE HA 1 19 SER H 5.000 . 5.000 3.543 3.474 3.573 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
320 1 18 PHE HA 1 20 LEU H 5.000 . 5.000 3.901 3.509 4.573 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
321 1 18 PHE HA 1 21 GLY H 5.000 . 5.000 3.343 3.010 3.853 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
322 1 18 PHE HA 1 21 GLY QA 5.000 . 5.000 3.892 3.216 4.616 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
323 1 18 PHE HA 1 22 TYR H 5.000 . 5.000 4.233 3.734 4.656 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
324 1 18 PHE QB 1 18 PHE QD 2.800 . 2.800 2.150 2.148 2.152 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
325 1 18 PHE QB 1 19 SER H . . 3.400 2.944 2.784 3.192 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
326 1 18 PHE QB 1 19 SER QB 5.000 . 5.000 4.566 4.318 5.011 0.011 16 0 "[ . 1 . 2 . 3 . 4]" 1
327 1 18 PHE QB 1 20 LEU H 5.000 . 5.000 4.707 4.375 5.009 0.009 36 0 "[ . 1 . 2 . 3 . 4]" 1
328 1 18 PHE QD 1 19 SER H 3.400 . 3.400 2.457 2.086 3.044 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
329 1 18 PHE QD 1 19 SER HA 5.000 . 5.000 3.530 3.097 3.789 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
330 1 18 PHE QD 1 20 LEU QD 6.000 . 6.000 5.639 5.242 5.893 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
331 1 18 PHE QD 1 22 TYR QB 5.000 . 5.000 2.909 2.374 3.359 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
332 1 18 PHE QD 1 22 TYR QD 5.000 . 5.000 4.500 3.682 4.758 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
333 1 18 PHE QE 1 19 SER H 5.000 . 5.000 4.076 3.681 4.647 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
334 1 18 PHE QE 1 19 SER HA 5.000 . 5.000 3.439 3.088 3.726 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
335 1 18 PHE QE 1 19 SER QB 5.000 . 5.000 3.458 2.582 4.430 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
336 1 18 PHE QE 1 22 TYR HA 5.000 . 5.000 4.434 4.129 4.956 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
337 1 18 PHE QE 1 22 TYR QB 5.000 . 5.000 2.537 2.313 3.073 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
338 1 18 PHE QE 1 22 TYR QD 3.400 . 3.400 3.271 2.554 3.431 0.031 27 0 "[ . 1 . 2 . 3 . 4]" 1
339 1 18 PHE QE 1 22 TYR QE 5.000 . 5.000 4.713 4.204 5.001 0.001 10 0 "[ . 1 . 2 . 3 . 4]" 1
340 1 19 SER H 1 19 SER HA 2.800 . 2.800 2.808 2.758 2.858 0.058 33 0 "[ . 1 . 2 . 3 . 4]" 1
341 1 19 SER H 1 20 LEU QB 6.000 . 6.000 4.472 4.199 4.975 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
342 1 19 SER H 1 20 LEU QD 5.000 . 5.000 4.119 3.659 4.762 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
343 1 19 SER H 1 21 GLY H 5.000 . 5.000 4.373 3.789 5.002 0.002 38 0 "[ . 1 . 2 . 3 . 4]" 1
344 1 19 SER HA 1 19 SER QB 2.800 . 2.800 2.322 2.155 2.537 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
345 1 19 SER HA 1 22 TYR H 5.000 . 5.000 3.769 3.578 3.919 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
346 1 19 SER HA 1 22 TYR QB 3.400 . 3.400 2.475 2.279 2.898 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
347 1 19 SER HA 1 22 TYR QD 5.000 . 5.000 3.446 2.810 4.301 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
348 1 19 SER HA 1 23 LEU H 5.000 . 5.000 4.748 4.121 5.017 0.017 20 0 "[ . 1 . 2 . 3 . 4]" 1
349 1 19 SER QB 1 22 TYR QB 5.000 . 5.000 4.231 3.835 4.678 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
350 1 20 LEU H 1 20 LEU QB 2.800 . 2.800 2.204 2.077 2.610 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
351 1 20 LEU H 1 20 LEU QD 2.800 . 2.800 2.598 2.113 2.832 0.032 20 0 "[ . 1 . 2 . 3 . 4]" 1
352 1 20 LEU H 1 20 LEU HG 5.000 . 5.000 3.908 2.121 4.414 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
353 1 20 LEU H 1 21 GLY H 3.400 . 3.400 2.444 2.204 2.850 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
354 1 20 LEU H 1 21 GLY QA 5.000 . 5.000 4.350 4.183 4.614 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
355 1 20 LEU H 1 22 TYR H 5.000 . 5.000 3.550 3.266 3.835 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
356 1 20 LEU HA 1 20 LEU QB 2.800 . 2.800 2.420 2.181 2.537 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
357 1 20 LEU HA 1 20 LEU QD 3.400 . 3.400 2.497 1.936 3.390 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
358 1 20 LEU HA 1 21 GLY H 5.000 . 5.000 3.532 3.456 3.575 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
359 1 20 LEU QB 1 20 LEU QD 2.800 . 2.800 1.925 1.861 2.003 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
360 1 20 LEU QD 1 21 GLY H 6.000 . 6.000 3.477 2.250 4.088 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
361 1 20 LEU QD 1 21 GLY H 5.000 . 5.000 3.173 2.225 3.623 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
362 1 20 LEU QD 1 22 TYR H 6.000 . 6.000 4.528 4.010 5.154 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
363 1 21 GLY H 1 21 GLY QA 2.800 . 2.800 2.238 2.202 2.270 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
364 1 21 GLY H 1 24 LEU HG 5.000 . 5.000 3.860 3.464 4.163 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
365 1 21 GLY H 1 25 ASP QB 5.000 . 5.000 4.115 3.986 4.494 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
366 1 21 GLY QA 1 22 TYR H 3.400 . 3.400 2.919 2.860 2.925 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
367 1 21 GLY QA 1 22 TYR QB 5.000 . 5.000 4.358 4.329 4.420 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
368 1 21 GLY QA 1 24 LEU H 5.000 . 5.000 4.154 3.345 4.589 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
369 1 21 GLY QA 1 24 LEU HG 3.400 . 3.400 2.789 2.308 3.091 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
370 1 21 GLY QA 1 25 ASP H 5.000 . 5.000 4.264 3.862 4.753 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
371 1 21 GLY QA 1 25 ASP QB 5.000 . 5.000 3.916 3.346 4.679 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
372 1 22 TYR H 1 22 TYR QB 3.400 . 3.400 2.162 2.097 2.220 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
373 1 22 TYR H 1 22 TYR QD 5.000 . 5.000 3.864 3.728 3.974 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
374 1 22 TYR H 1 22 TYR QE 6.000 . 6.000 5.926 5.778 6.033 0.033 8 0 "[ . 1 . 2 . 3 . 4]" 1
375 1 22 TYR H 1 23 LEU H 2.800 . 2.800 2.371 2.249 2.799 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
376 1 22 TYR H 1 23 LEU HA 6.000 . 6.000 5.029 4.933 5.389 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
377 1 22 TYR H 1 23 LEU QB 5.000 . 5.000 4.422 4.188 4.882 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
378 1 22 TYR H 1 23 LEU QD 5.000 . 5.000 3.848 2.922 4.442 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
379 1 22 TYR H 1 23 LEU HG 6.000 . 6.000 4.148 3.792 5.151 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
380 1 22 TYR H 1 24 LEU H 5.000 . 5.000 4.703 4.067 5.031 0.031 39 0 "[ . 1 . 2 . 3 . 4]" 1
381 1 22 TYR H 1 25 ASP QB 5.000 . 5.000 4.286 4.090 4.691 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
382 1 22 TYR H 1 26 LYS H 6.000 . 6.000 5.928 5.394 6.050 0.050 36 0 "[ . 1 . 2 . 3 . 4]" 1
383 1 22 TYR HA 1 22 TYR QB 2.800 . 2.800 2.223 2.192 2.262 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
384 1 22 TYR HA 1 22 TYR QD 2.800 . 2.800 2.798 2.611 2.857 0.057 8 0 "[ . 1 . 2 . 3 . 4]" 1
385 1 22 TYR HA 1 22 TYR QE 5.000 . 5.000 4.840 4.750 4.932 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
386 1 22 TYR HA 1 23 LEU H 5.000 . 5.000 3.530 3.492 3.579 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
387 1 22 TYR HA 1 25 ASP HA 5.000 . 5.000 4.008 3.959 4.039 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
388 1 22 TYR HA 1 25 ASP QB 2.800 . 2.800 2.381 2.298 2.782 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
389 1 22 TYR QB 1 22 TYR QD 2.800 . 2.800 2.152 2.148 2.162 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
390 1 22 TYR QB 1 23 LEU H 3.400 . 3.400 2.834 2.464 3.037 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
391 1 22 TYR QB 1 23 LEU HA 5.000 . 5.000 4.477 4.355 4.601 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
392 1 22 TYR QB 1 23 LEU QB 5.000 . 5.000 4.784 4.307 4.924 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
393 1 22 TYR QB 1 23 LEU QD 5.000 . 5.000 3.790 3.191 3.973 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
394 1 22 TYR QB 1 23 LEU HG 5.000 . 5.000 3.592 3.288 4.014 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
395 1 22 TYR QB 1 24 LEU H 6.000 . 6.000 5.558 5.043 5.738 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
396 1 22 TYR QB 1 26 LYS H 6.000 . 6.000 5.349 5.023 5.569 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
397 1 22 TYR QD 1 23 LEU H 3.400 . 3.400 3.081 2.694 3.343 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
398 1 22 TYR QD 1 23 LEU HA 5.000 . 5.000 3.538 3.058 3.864 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
399 1 22 TYR QD 1 23 LEU QB 5.000 . 5.000 4.270 3.830 4.455 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
400 1 22 TYR QD 1 23 LEU QD 2.800 . 2.800 2.811 2.657 2.836 0.036 17 0 "[ . 1 . 2 . 3 . 4]" 1
401 1 22 TYR QD 1 23 LEU HG 3.400 . 3.400 2.345 2.324 2.540 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
402 1 22 TYR QD 1 24 LEU H 6.000 . 6.000 5.653 5.249 5.814 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
403 1 22 TYR QD 1 25 ASP QB 5.000 . 5.000 3.988 3.690 4.415 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
404 1 22 TYR QD 1 26 LYS H 5.000 . 5.000 4.596 4.244 4.891 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
405 1 22 TYR QD 1 26 LYS QG 5.000 . 5.000 2.803 2.199 3.805 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
406 1 22 TYR QE 1 23 LEU H 5.000 . 5.000 4.844 4.427 4.977 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
407 1 22 TYR QE 1 23 LEU HA 5.000 . 5.000 3.854 3.626 4.035 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
408 1 22 TYR QE 1 23 LEU QB 5.000 . 5.000 4.958 4.650 5.057 0.057 8 0 "[ . 1 . 2 . 3 . 4]" 1
409 1 22 TYR QE 1 23 LEU QD 3.400 . 3.400 2.920 2.642 3.407 0.007 10 0 "[ . 1 . 2 . 3 . 4]" 1
410 1 22 TYR QE 1 25 ASP QB 6.000 . 6.000 5.300 4.513 5.870 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
411 1 22 TYR QE 1 26 LYS QB 5.000 . 5.000 3.174 2.315 3.768 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
412 1 22 TYR QE 1 26 LYS QD 5.000 . 5.000 3.369 2.327 4.538 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
413 1 22 TYR QE 1 26 LYS QE 5.000 . 5.000 3.180 2.310 4.466 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
414 1 22 TYR QE 1 26 LYS QG 5.000 . 5.000 2.412 2.294 2.954 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
415 1 23 LEU H 1 23 LEU HA 2.800 . 2.800 2.829 2.793 2.872 0.072 7 0 "[ . 1 . 2 . 3 . 4]" 1
416 1 23 LEU H 1 23 LEU QB 2.800 . 2.800 2.463 2.241 2.535 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
417 1 23 LEU H 1 23 LEU QD 2.800 . 2.800 2.649 1.813 2.874 0.074 14 0 "[ . 1 . 2 . 3 . 4]" 1
418 1 23 LEU H 1 23 LEU HG 2.800 . 2.800 2.244 1.970 2.777 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
419 1 23 LEU H 1 24 LEU H 3.400 . 3.400 3.053 2.763 3.173 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
420 1 23 LEU HA 1 23 LEU QB 2.800 . 2.800 2.362 2.341 2.464 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
421 1 23 LEU HA 1 23 LEU QD 3.400 . 3.400 2.457 2.274 2.986 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
422 1 23 LEU HA 1 23 LEU HG 2.800 . 2.800 2.603 2.304 2.796 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
423 1 23 LEU HA 1 24 LEU H 5.000 . 5.000 3.557 3.542 3.574 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
424 1 23 LEU HA 1 24 LEU QD 6.000 . 6.000 5.039 4.303 5.290 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
425 1 23 LEU HA 1 24 LEU HG 3.400 . 3.400 3.366 3.337 3.420 0.020 14 0 "[ . 1 . 2 . 3 . 4]" 1
426 1 23 LEU HA 1 25 ASP H 5.000 . 5.000 3.717 3.514 3.927 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
427 1 23 LEU HA 1 25 ASP QB 5.000 . 5.000 4.653 4.502 4.858 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
428 1 23 LEU HA 1 26 LYS H 3.400 . 3.400 3.290 3.031 3.425 0.025 39 0 "[ . 1 . 2 . 3 . 4]" 1
429 1 23 LEU HA 1 26 LYS QB 3.400 . 3.400 3.413 3.384 3.477 0.077 14 0 "[ . 1 . 2 . 3 . 4]" 1
430 1 23 LEU HA 1 26 LYS QG 5.000 . 5.000 4.123 2.094 4.774 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
431 1 23 LEU HA 1 27 LYS H 5.000 . 5.000 3.025 2.080 3.900 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
432 1 23 LEU HA 1 27 LYS QG 5.000 . 5.000 3.605 2.623 5.024 0.024 14 0 "[ . 1 . 2 . 3 . 4]" 1
433 1 23 LEU QB 1 23 LEU QD 2.800 . 2.800 1.879 1.851 1.892 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
434 1 23 LEU QD 1 24 LEU H 5.000 . 5.000 3.502 3.263 3.803 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
435 1 23 LEU QD 1 27 LYS H 5.000 . 5.000 4.401 3.720 5.011 0.011 31 0 "[ . 1 . 2 . 3 . 4]" 1
436 1 23 LEU QD 1 27 LYS QG 3.400 . 3.400 3.158 2.373 3.493 0.093 14 0 "[ . 1 . 2 . 3 . 4]" 1
437 1 24 LEU H 1 24 LEU QB 3.400 . 3.400 2.515 2.357 2.941 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
438 1 24 LEU H 1 24 LEU QD 2.800 . 2.800 2.460 1.761 2.857 0.057 3 0 "[ . 1 . 2 . 3 . 4]" 1
439 1 24 LEU H 1 24 LEU HG 2.800 . 2.800 2.283 1.798 2.572 0.002 3 0 "[ . 1 . 2 . 3 . 4]" 1
440 1 24 LEU H 1 25 ASP H 2.800 . 2.800 2.798 2.676 2.841 0.041 14 0 "[ . 1 . 2 . 3 . 4]" 1
441 1 24 LEU H 1 25 ASP HA 6.000 . 6.000 5.361 5.230 5.415 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
442 1 24 LEU H 1 25 ASP QB 5.000 . 5.000 4.530 4.289 4.692 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
443 1 24 LEU HA 1 24 LEU QB 2.800 . 2.800 2.184 2.156 2.192 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
444 1 24 LEU HA 1 24 LEU QD 3.400 . 3.400 3.307 2.658 3.411 0.011 6 0 "[ . 1 . 2 . 3 . 4]" 1
445 1 24 LEU HA 1 25 ASP H 3.400 . 3.400 3.400 3.273 3.453 0.053 20 0 "[ . 1 . 2 . 3 . 4]" 1
446 1 24 LEU HA 1 27 LYS QG 5.000 . 5.000 4.425 2.898 5.015 0.015 7 0 "[ . 1 . 2 . 3 . 4]" 1
447 1 24 LEU QB 1 24 LEU QD 2.800 . 2.800 1.869 1.858 1.925 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
448 1 24 LEU QB 1 24 LEU HG 2.800 . 2.800 2.518 2.421 2.537 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
449 1 24 LEU QB 1 25 ASP H 5.000 . 5.000 3.670 3.278 3.820 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
450 1 24 LEU QB 1 25 ASP HA 5.000 . 5.000 4.398 3.909 4.556 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
451 1 24 LEU QB 1 25 ASP QB 5.000 . 5.000 4.823 4.456 5.044 0.044 38 0 "[ . 1 . 2 . 3 . 4]" 1
452 1 24 LEU QD 1 25 ASP QB 5.000 . 5.000 3.395 2.515 4.663 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
453 1 24 LEU HG 1 25 ASP H 3.400 . 3.400 2.433 2.184 3.211 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
454 1 24 LEU HG 1 25 ASP HA 5.000 . 5.000 4.166 3.784 5.027 0.027 3 0 "[ . 1 . 2 . 3 . 4]" 1
455 1 24 LEU HG 1 25 ASP QB 5.000 . 5.000 3.547 3.128 4.451 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
456 1 25 ASP H 1 25 ASP QB 2.800 . 2.800 2.201 2.072 2.381 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
457 1 25 ASP H 1 26 LYS H 2.800 . 2.800 2.344 2.100 2.557 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
458 1 25 ASP H 1 26 LYS QG 5.000 . 5.000 4.328 3.886 4.815 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
459 1 25 ASP H 1 27 LYS H 5.000 . 5.000 3.875 3.370 4.499 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
460 1 25 ASP HA 1 25 ASP QB 2.800 . 2.800 2.376 2.236 2.538 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
461 1 25 ASP HA 1 26 LYS H 5.000 . 5.000 3.532 3.496 3.562 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
462 1 25 ASP HA 1 26 LYS QG 6.000 . 6.000 4.778 4.276 5.657 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
463 1 25 ASP QB 1 26 LYS H 2.800 . 2.800 2.707 2.446 2.835 0.035 14 0 "[ . 1 . 2 . 3 . 4]" 1
464 1 25 ASP QB 1 26 LYS QG 5.000 . 5.000 3.262 2.538 4.714 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
465 1 25 ASP QB 1 27 LYS H 5.000 . 5.000 4.718 4.394 4.963 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
466 1 26 LYS H 1 26 LYS QB 2.800 . 2.800 2.442 2.273 2.579 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
467 1 26 LYS H 1 26 LYS QD 5.000 . 5.000 4.220 3.398 4.543 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
468 1 26 LYS H 1 26 LYS QG 2.800 . 2.800 2.674 2.332 2.820 0.020 39 0 "[ . 1 . 2 . 3 . 4]" 1
469 1 26 LYS H 1 27 LYS H 2.800 . 2.800 2.314 2.179 2.576 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
470 1 26 LYS H 1 27 LYS HA 5.000 . 5.000 4.910 4.456 5.014 0.014 36 0 "[ . 1 . 2 . 3 . 4]" 1
471 1 26 LYS HA 1 26 LYS QB 2.800 . 2.800 2.346 2.167 2.441 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
472 1 26 LYS HA 1 26 LYS QD 3.400 . 3.400 2.784 2.124 3.491 0.091 18 0 "[ . 1 . 2 . 3 . 4]" 1
473 1 26 LYS HA 1 26 LYS QE 5.000 . 5.000 4.337 3.711 5.047 0.047 8 0 "[ . 1 . 2 . 3 . 4]" 1
474 1 26 LYS HA 1 26 LYS QG 3.400 . 3.400 2.635 2.313 3.433 0.033 6 0 "[ . 1 . 2 . 3 . 4]" 1
475 1 26 LYS HA 1 27 LYS H 5.000 . 5.000 3.538 3.062 3.575 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
476 1 26 LYS QB 1 27 LYS H 5.000 . 5.000 2.519 1.951 3.693 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
477 1 26 LYS QD 1 27 LYS H 5.000 . 5.000 4.601 3.189 4.983 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
478 1 26 LYS QE 1 26 LYS QG 3.400 . 3.400 2.231 2.101 2.490 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
479 1 26 LYS QG 1 27 LYS H 5.000 . 5.000 3.673 2.178 4.435 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
480 1 27 LYS H 1 27 LYS QB 2.800 . 2.800 2.354 2.071 2.836 0.036 24 0 "[ . 1 . 2 . 3 . 4]" 1
481 1 27 LYS H 1 27 LYS QD 5.000 . 5.000 3.905 1.803 4.700 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
482 1 27 LYS H 1 27 LYS QG 5.000 . 5.000 2.839 2.021 4.185 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
483 1 27 LYS HA 1 27 LYS QB 2.800 . 2.800 2.417 2.272 2.543 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
484 1 27 LYS HA 1 27 LYS QD 2.800 . 2.800 2.380 2.116 2.802 0.002 13 0 "[ . 1 . 2 . 3 . 4]" 1
485 1 27 LYS HA 1 27 LYS QG 3.400 . 3.400 2.495 2.303 3.134 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
486 1 27 LYS QB 1 27 LYS QD 2.800 . 2.800 2.226 2.113 2.361 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
487 1 27 LYS QE 1 27 LYS QG 3.400 . 3.400 2.217 2.098 2.515 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
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