NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
389064 |
1ner   |
287 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1ner
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 912
_Distance_constraint_stats_list.Viol_count 1881
_Distance_constraint_stats_list.Viol_total 5128.011
_Distance_constraint_stats_list.Viol_max 0.503
_Distance_constraint_stats_list.Viol_rms 0.0294
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0062
_Distance_constraint_stats_list.Viol_average_violations_only 0.0909
_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 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 3 ASN 0.430 0.236 5 0 "[ . 1 . 2 . 3]"
1 4 GLU 0.759 0.162 22 0 "[ . 1 . 2 . 3]"
1 5 LYS 2.920 0.368 9 0 "[ . 1 . 2 . 3]"
1 6 ALA 1.131 0.236 5 0 "[ . 1 . 2 . 3]"
1 7 ARG 7.816 0.316 11 0 "[ . 1 . 2 . 3]"
1 8 ASP 3.442 0.503 7 1 "[ . + 1 . 2 . 3]"
1 9 TRP 13.228 0.397 24 0 "[ . 1 . 2 . 3]"
1 10 HIS 3.346 0.397 24 0 "[ . 1 . 2 . 3]"
1 11 ARG 3.953 0.368 9 0 "[ . 1 . 2 . 3]"
1 12 ALA 8.916 0.477 20 0 "[ . 1 . 2 . 3]"
1 13 ASP 6.979 0.318 24 0 "[ . 1 . 2 . 3]"
1 14 VAL 7.160 0.170 20 0 "[ . 1 . 2 . 3]"
1 15 ILE 14.798 0.477 20 0 "[ . 1 . 2 . 3]"
1 16 ALA 7.981 0.203 8 0 "[ . 1 . 2 . 3]"
1 17 GLY 4.342 0.203 8 0 "[ . 1 . 2 . 3]"
1 18 LEU 6.125 0.232 4 0 "[ . 1 . 2 . 3]"
1 19 LYS 2.374 0.272 14 0 "[ . 1 . 2 . 3]"
1 20 LYS 19.677 0.283 18 0 "[ . 1 . 2 . 3]"
1 21 ARG 5.319 0.163 19 0 "[ . 1 . 2 . 3]"
1 22 LYS 17.767 0.283 18 0 "[ . 1 . 2 . 3]"
1 23 LEU 10.598 0.249 4 0 "[ . 1 . 2 . 3]"
1 24 SER 0.377 0.107 10 0 "[ . 1 . 2 . 3]"
1 25 LEU 12.192 0.213 18 0 "[ . 1 . 2 . 3]"
1 26 SER 0.437 0.081 28 0 "[ . 1 . 2 . 3]"
1 27 ALA 0.094 0.094 24 0 "[ . 1 . 2 . 3]"
1 28 LEU 8.680 0.212 19 0 "[ . 1 . 2 . 3]"
1 29 SER 5.904 0.290 22 0 "[ . 1 . 2 . 3]"
1 30 ARG 1.134 0.214 4 0 "[ . 1 . 2 . 3]"
1 31 GLN 3.784 0.214 4 0 "[ . 1 . 2 . 3]"
1 32 PHE 0.782 0.056 18 0 "[ . 1 . 2 . 3]"
1 33 GLY 6.494 0.194 6 0 "[ . 1 . 2 . 3]"
1 34 TYR 5.209 0.182 18 0 "[ . 1 . 2 . 3]"
1 35 ALA 2.982 0.194 6 0 "[ . 1 . 2 . 3]"
1 36 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 37 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 38 THR 2.491 0.190 25 0 "[ . 1 . 2 . 3]"
1 39 LEU 12.272 0.290 22 0 "[ . 1 . 2 . 3]"
1 40 ALA 0.046 0.041 1 0 "[ . 1 . 2 . 3]"
1 41 ASN 0.271 0.180 10 0 "[ . 1 . 2 . 3]"
1 42 ALA 2.195 0.180 10 0 "[ . 1 . 2 . 3]"
1 43 LEU 1.184 0.112 13 0 "[ . 1 . 2 . 3]"
1 44 GLU 0.745 0.118 21 0 "[ . 1 . 2 . 3]"
1 45 ARG 0.067 0.044 8 0 "[ . 1 . 2 . 3]"
1 46 HIS 0.777 0.108 17 0 "[ . 1 . 2 . 3]"
1 47 TRP 0.276 0.079 16 0 "[ . 1 . 2 . 3]"
1 48 PRO 0.777 0.108 17 0 "[ . 1 . 2 . 3]"
1 49 LYS 1.792 0.155 6 0 "[ . 1 . 2 . 3]"
1 50 GLY 3.677 0.211 10 0 "[ . 1 . 2 . 3]"
1 51 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 52 GLN 1.069 0.316 22 0 "[ . 1 . 2 . 3]"
1 53 ILE 3.831 0.185 9 0 "[ . 1 . 2 . 3]"
1 54 ILE 9.670 0.249 4 0 "[ . 1 . 2 . 3]"
1 55 ALA 0.287 0.053 10 0 "[ . 1 . 2 . 3]"
1 56 ASN 5.315 0.232 4 0 "[ . 1 . 2 . 3]"
1 57 ALA 3.071 0.183 2 0 "[ . 1 . 2 . 3]"
1 58 LEU 9.592 0.162 26 0 "[ . 1 . 2 . 3]"
1 59 GLU 3.801 0.331 15 0 "[ . 1 . 2 . 3]"
1 60 THR 8.486 0.218 26 0 "[ . 1 . 2 . 3]"
1 61 LYS 4.403 0.214 28 0 "[ . 1 . 2 . 3]"
1 62 PRO 1.080 0.132 3 0 "[ . 1 . 2 . 3]"
1 63 GLU 0.784 0.167 16 0 "[ . 1 . 2 . 3]"
1 64 VAL 4.088 0.144 4 0 "[ . 1 . 2 . 3]"
1 65 ILE 0.942 0.227 7 0 "[ . 1 . 2 . 3]"
1 66 TRP 0.609 0.094 13 0 "[ . 1 . 2 . 3]"
1 67 PRO 2.460 0.379 7 0 "[ . 1 . 2 . 3]"
1 68 SER 0.522 0.503 7 1 "[ . + 1 . 2 . 3]"
1 69 ARG 7.271 0.316 11 0 "[ . 1 . 2 . 3]"
1 70 TYR 8.336 0.306 8 0 "[ . 1 . 2 . 3]"
1 71 GLN 1.921 0.236 30 0 "[ . 1 . 2 . 3]"
1 72 ALA 0.909 0.160 26 0 "[ . 1 . 2 . 3]"
1 73 GLY 0.298 0.160 26 0 "[ . 1 . 2 . 3]"
1 74 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
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 8 ASP H 1 9 TRP H 4.000 . 5.000 4.378 2.990 4.645 . 0 0 "[ . 1 . 2 . 3]" 1
2 1 8 ASP QB 1 9 TRP H 4.000 . 5.000 2.117 1.729 2.874 0.071 20 0 "[ . 1 . 2 . 3]" 1
3 1 9 TRP H 1 10 HIS H 4.000 . 5.000 4.424 3.688 4.642 . 0 0 "[ . 1 . 2 . 3]" 1
4 1 9 TRP HA 1 10 HIS H 2.500 . 2.900 2.271 2.206 3.297 0.397 24 0 "[ . 1 . 2 . 3]" 1
5 1 9 TRP QB 1 10 HIS H 3.000 . 3.500 3.461 1.710 3.615 0.115 16 0 "[ . 1 . 2 . 3]" 1
6 1 10 HIS HA 1 11 ARG H 2.500 . 2.900 2.376 2.247 2.535 . 0 0 "[ . 1 . 2 . 3]" 1
7 1 10 HIS H 1 11 ARG H 4.000 . 5.000 4.683 4.237 4.723 . 0 0 "[ . 1 . 2 . 3]" 1
8 1 10 HIS QB 1 11 ARG H 3.000 . 3.500 3.004 2.358 3.552 0.052 6 0 "[ . 1 . 2 . 3]" 1
9 1 11 ARG HA 1 12 ALA H 3.000 . 3.500 3.515 3.470 3.582 0.082 20 0 "[ . 1 . 2 . 3]" 1
10 1 11 ARG H 1 12 ALA H 3.000 . 3.500 2.814 2.661 3.016 . 0 0 "[ . 1 . 2 . 3]" 1
11 1 11 ARG QB 1 12 ALA H 3.000 . 3.500 2.970 2.465 3.565 0.065 30 0 "[ . 1 . 2 . 3]" 1
12 1 12 ALA H 1 13 ASP H 3.000 . 3.500 2.364 2.240 2.513 . 0 0 "[ . 1 . 2 . 3]" 1
13 1 12 ALA MB 1 13 ASP H 3.000 . 4.000 2.837 2.655 3.072 . 0 0 "[ . 1 . 2 . 3]" 1
14 1 13 ASP H 1 14 VAL H 3.000 . 3.500 2.452 2.352 2.529 . 0 0 "[ . 1 . 2 . 3]" 1
15 1 14 VAL HA 1 15 ILE H 4.000 . 5.000 3.595 3.568 3.633 . 0 0 "[ . 1 . 2 . 3]" 1
16 1 14 VAL H 1 15 ILE H 3.000 . 3.500 2.658 2.551 2.736 . 0 0 "[ . 1 . 2 . 3]" 1
17 1 15 ILE HA 1 16 ALA H 4.000 . 5.000 3.596 3.568 3.621 . 0 0 "[ . 1 . 2 . 3]" 1
18 1 15 ILE H 1 16 ALA H 3.000 . 3.500 2.715 2.619 2.865 . 0 0 "[ . 1 . 2 . 3]" 1
19 1 16 ALA HA 1 17 GLY H 4.000 . 5.000 3.560 3.547 3.573 . 0 0 "[ . 1 . 2 . 3]" 1
20 1 16 ALA H 1 17 GLY H 3.000 . 3.500 2.860 2.787 3.048 . 0 0 "[ . 1 . 2 . 3]" 1
21 1 16 ALA MB 1 17 GLY H 3.000 . 3.400 2.314 1.984 2.494 . 0 0 "[ . 1 . 2 . 3]" 1
22 1 17 GLY H 1 18 LEU H 3.000 . 3.500 2.834 2.627 3.117 . 0 0 "[ . 1 . 2 . 3]" 1
23 1 18 LEU H 1 19 LYS H 3.000 . 3.500 2.787 2.616 2.906 . 0 0 "[ . 1 . 2 . 3]" 1
24 1 19 LYS HA 1 20 LYS H 4.000 . 5.000 3.419 3.359 3.484 . 0 0 "[ . 1 . 2 . 3]" 1
25 1 19 LYS H 1 20 LYS H 3.000 . 3.500 2.750 2.596 2.882 . 0 0 "[ . 1 . 2 . 3]" 1
26 1 20 LYS H 1 21 ARG H 2.500 . 2.900 2.660 2.583 2.844 . 0 0 "[ . 1 . 2 . 3]" 1
27 1 21 ARG H 1 22 LYS H 3.000 . 3.500 3.131 3.035 3.232 . 0 0 "[ . 1 . 2 . 3]" 1
28 1 22 LYS HA 1 23 LEU H . . 3.500 2.649 2.519 2.790 . 0 0 "[ . 1 . 2 . 3]" 1
29 1 23 LEU H 1 24 SER H 4.000 . 5.000 4.479 4.422 4.541 . 0 0 "[ . 1 . 2 . 3]" 1
30 1 24 SER HA 1 25 LEU H 2.500 . 2.900 2.241 2.181 2.288 . 0 0 "[ . 1 . 2 . 3]" 1
31 1 24 SER H 1 25 LEU H 4.000 . 5.000 4.182 4.082 4.258 . 0 0 "[ . 1 . 2 . 3]" 1
32 1 24 SER QB 1 25 LEU H 3.000 . 3.500 3.243 3.087 3.360 . 0 0 "[ . 1 . 2 . 3]" 1
33 1 25 LEU HA 1 26 SER H 3.000 . 3.500 3.490 3.416 3.581 0.081 28 0 "[ . 1 . 2 . 3]" 1
34 1 25 LEU H 1 26 SER H 3.000 . 3.500 2.904 2.806 3.244 . 0 0 "[ . 1 . 2 . 3]" 1
35 1 25 LEU QB 1 26 SER H 3.000 . 3.500 2.843 2.163 3.128 . 0 0 "[ . 1 . 2 . 3]" 1
36 1 26 SER HA 1 27 ALA H 4.000 . 5.000 3.537 3.493 3.572 . 0 0 "[ . 1 . 2 . 3]" 1
37 1 26 SER H 1 27 ALA H 3.000 . 3.500 2.529 2.359 2.917 . 0 0 "[ . 1 . 2 . 3]" 1
38 1 27 ALA H 1 28 LEU H 2.500 . 2.900 2.611 2.401 2.863 . 0 0 "[ . 1 . 2 . 3]" 1
39 1 28 LEU H 1 29 SER H 2.500 . 2.900 2.643 2.576 2.730 . 0 0 "[ . 1 . 2 . 3]" 1
40 1 29 SER HA 1 30 ARG H 4.000 . 5.000 3.591 3.529 3.612 . 0 0 "[ . 1 . 2 . 3]" 1
41 1 29 SER H 1 30 ARG H 2.500 . 2.900 2.802 2.575 2.896 . 0 0 "[ . 1 . 2 . 3]" 1
42 1 30 ARG H 1 31 GLN H 2.500 . 2.900 2.621 2.539 2.673 . 0 0 "[ . 1 . 2 . 3]" 1
43 1 31 GLN HA 1 32 PHE H 4.000 . 5.000 3.537 3.469 3.583 . 0 0 "[ . 1 . 2 . 3]" 1
44 1 31 GLN H 1 32 PHE H 2.500 . 2.900 2.669 2.591 2.735 . 0 0 "[ . 1 . 2 . 3]" 1
45 1 31 GLN QB 1 32 PHE H 3.000 . 3.500 2.832 2.526 3.053 . 0 0 "[ . 1 . 2 . 3]" 1
46 1 32 PHE HA 1 33 GLY H . . 3.500 3.506 3.382 3.556 0.056 18 0 "[ . 1 . 2 . 3]" 1
47 1 32 PHE H 1 33 GLY H 2.500 . 2.900 2.125 2.049 2.220 . 0 0 "[ . 1 . 2 . 3]" 1
48 1 32 PHE QB 1 33 GLY H 3.000 . 3.500 2.917 2.737 3.266 . 0 0 "[ . 1 . 2 . 3]" 1
49 1 33 GLY QA 1 34 TYR H 4.000 . 5.000 2.731 2.635 2.981 . 0 0 "[ . 1 . 2 . 3]" 1
50 1 33 GLY H 1 34 TYR H 2.500 . 2.900 2.842 2.163 3.051 0.151 24 0 "[ . 1 . 2 . 3]" 1
51 1 34 TYR H 1 35 ALA H 4.000 . 5.000 4.265 2.488 4.595 . 0 0 "[ . 1 . 2 . 3]" 1
52 1 34 TYR QB 1 35 ALA H 3.000 . 3.500 3.217 1.884 3.586 0.086 26 0 "[ . 1 . 2 . 3]" 1
53 1 37 THR H 1 38 THR H 4.000 . 5.000 2.713 2.490 2.885 . 0 0 "[ . 1 . 2 . 3]" 1
54 1 38 THR HA 1 39 LEU H 4.000 . 5.000 3.584 3.564 3.603 . 0 0 "[ . 1 . 2 . 3]" 1
55 1 38 THR H 1 39 LEU H 4.000 . 5.000 3.047 2.953 3.151 . 0 0 "[ . 1 . 2 . 3]" 1
56 1 38 THR HB 1 39 LEU H 4.000 . 5.000 2.231 2.077 2.401 . 0 0 "[ . 1 . 2 . 3]" 1
57 1 39 LEU HA 1 40 ALA H 4.000 . 5.000 3.578 3.552 3.597 . 0 0 "[ . 1 . 2 . 3]" 1
58 1 39 LEU H 1 40 ALA H 3.000 . 3.500 2.988 2.863 3.134 . 0 0 "[ . 1 . 2 . 3]" 1
59 1 39 LEU QB 1 40 ALA H 4.000 . 5.000 2.396 2.086 2.603 . 0 0 "[ . 1 . 2 . 3]" 1
60 1 40 ALA HA 1 41 ASN H 4.000 . 5.000 3.572 3.552 3.586 . 0 0 "[ . 1 . 2 . 3]" 1
61 1 40 ALA H 1 41 ASN H 4.000 . 5.000 3.008 2.813 3.184 . 0 0 "[ . 1 . 2 . 3]" 1
62 1 40 ALA MB 1 41 ASN H 3.000 . 4.000 2.106 1.868 2.475 . 0 0 "[ . 1 . 2 . 3]" 1
63 1 41 ASN HA 1 42 ALA H 4.000 . 5.000 3.402 3.337 3.444 . 0 0 "[ . 1 . 2 . 3]" 1
64 1 41 ASN H 1 42 ALA H 4.000 . 5.000 2.817 2.682 2.900 . 0 0 "[ . 1 . 2 . 3]" 1
65 1 41 ASN QB 1 42 ALA H 3.000 . 3.500 3.248 3.117 3.680 0.180 10 0 "[ . 1 . 2 . 3]" 1
66 1 42 ALA H 1 43 LEU H 2.500 . 2.900 2.669 2.507 2.883 . 0 0 "[ . 1 . 2 . 3]" 1
67 1 43 LEU HA 1 44 GLU H 4.000 . 5.000 3.479 3.308 3.581 . 0 0 "[ . 1 . 2 . 3]" 1
68 1 43 LEU H 1 44 GLU H 2.500 . 2.900 2.400 2.313 2.603 . 0 0 "[ . 1 . 2 . 3]" 1
69 1 44 GLU HA 1 45 ARG H 4.000 . 5.000 3.478 3.272 3.606 . 0 0 "[ . 1 . 2 . 3]" 1
70 1 44 GLU H 1 45 ARG H 4.000 . 5.000 2.039 1.756 2.928 0.044 8 0 "[ . 1 . 2 . 3]" 1
71 1 45 ARG H 1 46 HIS H 4.000 . 5.000 4.641 4.571 4.669 . 0 0 "[ . 1 . 2 . 3]" 1
72 1 45 ARG QB 1 46 HIS H 4.000 . 5.000 3.304 2.237 3.779 . 0 0 "[ . 1 . 2 . 3]" 1
73 1 46 HIS H 1 47 TRP H 4.000 . 5.000 4.252 3.969 4.463 . 0 0 "[ . 1 . 2 . 3]" 1
74 1 46 HIS QB 1 47 TRP H 4.000 . 5.000 3.814 3.461 4.040 . 0 0 "[ . 1 . 2 . 3]" 1
75 1 49 LYS HA 1 50 GLY H 4.000 . 5.000 3.472 3.407 3.528 . 0 0 "[ . 1 . 2 . 3]" 1
76 1 49 LYS H 1 50 GLY H 4.000 . 5.000 2.516 2.460 2.564 . 0 0 "[ . 1 . 2 . 3]" 1
77 1 50 GLY H 1 51 GLU H 4.000 . 5.000 2.431 2.350 2.560 . 0 0 "[ . 1 . 2 . 3]" 1
78 1 51 GLU HA 1 52 GLN H 4.000 . 5.000 3.521 3.490 3.574 . 0 0 "[ . 1 . 2 . 3]" 1
79 1 51 GLU H 1 52 GLN H 2.500 . 2.900 2.472 2.406 2.591 . 0 0 "[ . 1 . 2 . 3]" 1
80 1 52 GLN H 1 53 ILE H 2.500 . 2.900 2.688 2.617 2.752 . 0 0 "[ . 1 . 2 . 3]" 1
81 1 52 GLN QB 1 53 ILE H 4.000 . 5.000 2.624 2.469 3.549 . 0 0 "[ . 1 . 2 . 3]" 1
82 1 53 ILE H 1 54 ILE H 2.500 . 2.900 2.868 2.808 2.939 0.039 23 0 "[ . 1 . 2 . 3]" 1
83 1 54 ILE HA 1 55 ALA H 4.000 . 5.000 3.592 3.576 3.602 . 0 0 "[ . 1 . 2 . 3]" 1
84 1 54 ILE H 1 55 ALA H 2.500 . 2.900 2.845 2.775 2.907 0.007 5 0 "[ . 1 . 2 . 3]" 1
85 1 55 ALA HA 1 56 ASN H 4.000 . 5.000 3.524 3.482 3.550 . 0 0 "[ . 1 . 2 . 3]" 1
86 1 55 ALA H 1 56 ASN H 2.500 . 2.900 2.727 2.678 2.794 . 0 0 "[ . 1 . 2 . 3]" 1
87 1 56 ASN HA 1 57 ALA H 4.000 . 5.000 3.538 3.515 3.575 . 0 0 "[ . 1 . 2 . 3]" 1
88 1 56 ASN H 1 57 ALA H 2.500 . 2.900 2.736 2.686 2.843 . 0 0 "[ . 1 . 2 . 3]" 1
89 1 57 ALA H 1 58 LEU H 2.500 . 2.900 2.728 2.658 2.802 . 0 0 "[ . 1 . 2 . 3]" 1
90 1 57 ALA MB 1 58 LEU H . . 3.900 2.666 2.457 2.976 . 0 0 "[ . 1 . 2 . 3]" 1
91 1 58 LEU HA 1 59 GLU H 4.000 . 5.000 3.222 3.145 3.291 . 0 0 "[ . 1 . 2 . 3]" 1
92 1 58 LEU H 1 59 GLU H 2.500 . 2.900 2.523 2.379 2.629 . 0 0 "[ . 1 . 2 . 3]" 1
93 1 58 LEU QB 1 59 GLU H 4.000 . 5.000 3.472 3.359 3.579 . 0 0 "[ . 1 . 2 . 3]" 1
94 1 59 GLU H 1 60 THR H 2.500 . 2.900 2.720 2.618 2.819 . 0 0 "[ . 1 . 2 . 3]" 1
95 1 60 THR HB 1 61 LYS H 4.000 . 5.000 3.629 3.524 3.715 . 0 0 "[ . 1 . 2 . 3]" 1
96 1 62 PRO HA 1 63 GLU H 4.000 . 5.000 3.507 3.418 3.561 . 0 0 "[ . 1 . 2 . 3]" 1
97 1 63 GLU H 1 64 VAL H 3.000 . 3.500 2.742 2.626 2.807 . 0 0 "[ . 1 . 2 . 3]" 1
98 1 63 GLU QB 1 64 VAL H 4.000 . 5.000 3.423 3.063 3.839 . 0 0 "[ . 1 . 2 . 3]" 1
99 1 64 VAL HA 1 65 ILE H 4.000 . 5.000 3.538 3.513 3.559 . 0 0 "[ . 1 . 2 . 3]" 1
100 1 64 VAL H 1 65 ILE H 3.000 . 3.500 2.294 2.240 2.342 . 0 0 "[ . 1 . 2 . 3]" 1
101 1 64 VAL HB 1 65 ILE H 4.000 . 5.000 2.761 2.604 2.882 . 0 0 "[ . 1 . 2 . 3]" 1
102 1 65 ILE H 1 66 TRP H 3.000 . 3.500 2.345 2.232 2.462 . 0 0 "[ . 1 . 2 . 3]" 1
103 1 65 ILE HB 1 66 TRP H 3.000 . 3.500 3.072 2.726 3.266 . 0 0 "[ . 1 . 2 . 3]" 1
104 1 67 PRO HA 1 68 SER H 4.000 . 5.000 3.537 3.380 3.613 . 0 0 "[ . 1 . 2 . 3]" 1
105 1 68 SER HA 1 69 ARG H 4.000 . 5.000 3.357 3.165 3.590 . 0 0 "[ . 1 . 2 . 3]" 1
106 1 68 SER H 1 69 ARG H 4.000 . 5.000 2.919 2.469 3.947 . 0 0 "[ . 1 . 2 . 3]" 1
107 1 68 SER QB 1 69 ARG H 4.000 . 5.000 3.272 1.882 3.989 . 0 0 "[ . 1 . 2 . 3]" 1
108 1 69 ARG HA 1 70 TYR H 4.000 . 5.000 3.382 2.622 3.538 . 0 0 "[ . 1 . 2 . 3]" 1
109 1 69 ARG H 1 70 TYR H 3.000 . 3.500 2.183 1.723 3.406 0.077 7 0 "[ . 1 . 2 . 3]" 1
110 1 69 ARG QB 1 70 TYR H 4.000 . 5.000 3.108 2.672 3.917 . 0 0 "[ . 1 . 2 . 3]" 1
111 1 70 TYR HA 1 71 GLN H 4.000 . 5.000 2.485 2.192 3.539 . 0 0 "[ . 1 . 2 . 3]" 1
112 1 70 TYR H 1 71 GLN H 4.000 . 5.000 4.282 2.884 4.597 . 0 0 "[ . 1 . 2 . 3]" 1
113 1 70 TYR QB 1 71 GLN H 4.000 . 5.000 2.812 1.766 3.908 0.034 2 0 "[ . 1 . 2 . 3]" 1
114 1 71 GLN H 1 72 ALA H 3.000 . 3.500 2.885 1.814 3.571 0.071 15 0 "[ . 1 . 2 . 3]" 1
115 1 71 GLN QB 1 72 ALA H 4.000 . 5.000 3.366 1.747 4.061 0.053 23 0 "[ . 1 . 2 . 3]" 1
116 1 72 ALA HA 1 73 GLY H 4.000 . 5.000 2.958 2.237 3.587 . 0 0 "[ . 1 . 2 . 3]" 1
117 1 72 ALA H 1 73 GLY H 3.000 . 3.500 2.870 1.741 3.660 0.160 26 0 "[ . 1 . 2 . 3]" 1
118 1 72 ALA MB 1 73 GLY H 4.000 . 5.500 3.233 1.776 3.731 0.024 29 0 "[ . 1 . 2 . 3]" 1
119 1 73 GLY QA 1 74 GLU H 4.000 . 5.000 2.380 2.156 2.932 . 0 0 "[ . 1 . 2 . 3]" 1
120 1 73 GLY H 1 74 GLU H 4.000 . 5.000 3.938 2.055 4.701 . 0 0 "[ . 1 . 2 . 3]" 1
121 1 4 GLU QG 1 5 LYS QD 4.000 . 5.000 4.207 2.229 5.162 0.162 22 0 "[ . 1 . 2 . 3]" 1
122 1 6 ALA MB 1 7 ARG QG 4.000 . 5.500 3.314 2.362 4.490 . 0 0 "[ . 1 . 2 . 3]" 1
123 1 8 ASP HA 1 9 TRP HD1 4.000 . 5.000 3.170 2.898 4.387 . 0 0 "[ . 1 . 2 . 3]" 1
124 1 8 ASP HB3 1 9 TRP HB3 4.000 . 6.000 5.500 5.220 6.002 0.002 23 0 "[ . 1 . 2 . 3]" 1
125 1 14 VAL MG1 1 15 ILE MD 3.000 . 3.800 3.510 2.039 3.966 0.166 1 0 "[ . 1 . 2 . 3]" 1
126 1 16 ALA HA 1 17 GLY HA2 4.000 . 5.000 4.801 4.735 4.883 . 0 0 "[ . 1 . 2 . 3]" 1
127 1 19 LYS QD 1 20 LYS HA 4.000 . 6.000 5.690 5.087 6.272 0.272 14 0 "[ . 1 . 2 . 3]" 1
128 1 19 LYS QB 1 20 LYS HA 4.000 . 5.000 4.094 3.855 4.254 . 0 0 "[ . 1 . 2 . 3]" 1
129 1 21 ARG HA 1 22 LYS QG 4.000 . 5.000 3.971 3.521 5.114 0.114 17 0 "[ . 1 . 2 . 3]" 1
130 1 26 SER QB 1 27 ALA MB 4.000 . 5.500 4.075 3.682 4.554 . 0 0 "[ . 1 . 2 . 3]" 1
131 1 30 ARG HG3 1 31 GLN HG3 4.000 . 5.000 3.697 2.714 5.214 0.214 4 0 "[ . 1 . 2 . 3]" 1
132 1 35 ALA MB 1 36 PRO HD3 3.000 . 3.800 3.182 2.993 3.452 . 0 0 "[ . 1 . 2 . 3]" 1
133 1 35 ALA HA 1 36 PRO HD3 3.000 . 3.300 2.257 2.235 2.292 . 0 0 "[ . 1 . 2 . 3]" 1
134 1 35 ALA MB 1 36 PRO HD2 3.000 . 3.800 2.173 2.091 2.431 . 0 0 "[ . 1 . 2 . 3]" 1
135 1 35 ALA HA 1 36 PRO HD2 3.000 . 3.300 2.564 2.407 2.709 . 0 0 "[ . 1 . 2 . 3]" 1
136 1 36 PRO HG2 1 37 THR MG 4.000 . 5.500 3.452 3.147 3.878 . 0 0 "[ . 1 . 2 . 3]" 1
137 1 38 THR MG 1 39 LEU HA 4.000 . 5.500 3.103 2.956 3.201 . 0 0 "[ . 1 . 2 . 3]" 1
138 1 42 ALA MB 1 43 LEU MD2 4.000 . 5.500 3.979 3.147 4.731 . 0 0 "[ . 1 . 2 . 3]" 1
139 1 47 TRP HD1 1 48 PRO HD2 4.000 . 5.000 3.682 3.525 3.828 . 0 0 "[ . 1 . 2 . 3]" 1
140 1 47 TRP HA 1 48 PRO HD3 3.000 . 3.300 2.623 2.535 2.705 . 0 0 "[ . 1 . 2 . 3]" 1
141 1 47 TRP HA 1 48 PRO HD2 3.000 . 3.300 2.264 2.244 2.292 . 0 0 "[ . 1 . 2 . 3]" 1
142 1 53 ILE MG 1 54 ILE MD 4.000 . 5.500 4.597 4.156 5.026 . 0 0 "[ . 1 . 2 . 3]" 1
143 1 54 ILE MG 1 55 ALA MB 3.000 . 3.800 3.712 3.516 3.802 0.002 14 0 "[ . 1 . 2 . 3]" 1
144 1 54 ILE MG 1 55 ALA HA 4.000 . 5.500 3.184 3.085 3.281 . 0 0 "[ . 1 . 2 . 3]" 1
145 1 57 ALA MB 1 58 LEU MD2 4.000 . 5.500 3.907 3.308 4.632 . 0 0 "[ . 1 . 2 . 3]" 1
146 1 61 LYS HB3 1 62 PRO HD2 3.000 . 3.300 2.308 2.262 2.384 . 0 0 "[ . 1 . 2 . 3]" 1
147 1 61 LYS HG2 1 62 PRO HD2 4.000 . 5.000 4.146 3.595 4.607 . 0 0 "[ . 1 . 2 . 3]" 1
148 1 61 LYS QD 1 62 PRO HD2 4.000 . 5.000 4.839 4.405 5.132 0.132 3 0 "[ . 1 . 2 . 3]" 1
149 1 61 LYS HB2 1 62 PRO HD2 4.000 . 5.000 3.642 3.482 3.844 . 0 0 "[ . 1 . 2 . 3]" 1
150 1 61 LYS HA 1 62 PRO HD3 3.000 . 3.300 2.260 2.224 2.285 . 0 0 "[ . 1 . 2 . 3]" 1
151 1 61 LYS HA 1 62 PRO HG2 4.000 . 5.000 4.580 4.537 4.634 . 0 0 "[ . 1 . 2 . 3]" 1
152 1 61 LYS HA 1 62 PRO HD2 3.000 . 3.300 2.433 2.366 2.531 . 0 0 "[ . 1 . 2 . 3]" 1
153 1 63 GLU HG2 1 64 VAL MG2 4.000 . 5.500 4.703 2.226 5.608 0.108 24 0 "[ . 1 . 2 . 3]" 1
154 1 64 VAL MG1 1 65 ILE HA 4.000 . 5.500 3.682 3.459 3.921 . 0 0 "[ . 1 . 2 . 3]" 1
155 1 64 VAL MG2 1 65 ILE MD 4.000 . 5.500 4.402 3.503 5.097 . 0 0 "[ . 1 . 2 . 3]" 1
156 1 65 ILE MG 1 66 TRP HZ2 4.000 . 6.500 3.223 3.102 3.390 . 0 0 "[ . 1 . 2 . 3]" 1
157 1 66 TRP HA 1 67 PRO HG3 4.000 . 5.000 4.756 4.651 4.888 . 0 0 "[ . 1 . 2 . 3]" 1
158 1 66 TRP HA 1 67 PRO HD3 4.000 . 5.000 2.695 2.553 2.922 . 0 0 "[ . 1 . 2 . 3]" 1
159 1 66 TRP HA 1 67 PRO HD2 3.000 . 3.300 2.314 2.255 2.386 . 0 0 "[ . 1 . 2 . 3]" 1
160 1 5 LYS HA 1 6 ALA MB 4.000 . 5.500 4.184 3.764 4.744 . 0 0 "[ . 1 . 2 . 3]" 1
161 1 15 ILE MG 1 16 ALA MB 4.000 . 5.500 4.252 3.586 4.553 . 0 0 "[ . 1 . 2 . 3]" 1
162 1 30 ARG QB 1 31 GLN HG3 4.000 . 5.000 4.585 3.389 5.170 0.170 15 0 "[ . 1 . 2 . 3]" 1
163 1 35 ALA HA 1 36 PRO HG3 4.000 . 5.000 4.495 4.453 4.525 . 0 0 "[ . 1 . 2 . 3]" 1
164 1 60 THR HA 1 61 LYS HG2 4.000 . 5.000 4.986 4.122 5.214 0.214 28 0 "[ . 1 . 2 . 3]" 1
165 1 63 GLU HB2 1 64 VAL HA 4.000 . 5.000 4.517 4.252 5.069 0.069 6 0 "[ . 1 . 2 . 3]" 1
166 1 2 SER HA 1 3 ASN H 4.000 . 5.000 2.965 2.194 3.586 . 0 0 "[ . 1 . 2 . 3]" 1
167 1 2 SER HB3 1 3 ASN H 4.000 . 5.000 3.411 1.992 4.553 . 0 0 "[ . 1 . 2 . 3]" 1
168 1 3 ASN HA 1 4 GLU H 4.000 . 5.000 2.920 2.178 3.585 . 0 0 "[ . 1 . 2 . 3]" 1
169 1 4 GLU HA 1 5 LYS H 3.000 . 3.500 2.855 2.204 3.580 0.080 24 0 "[ . 1 . 2 . 3]" 1
170 1 5 LYS HA 1 6 ALA H 3.000 . 3.500 2.947 2.188 3.577 0.077 24 0 "[ . 1 . 2 . 3]" 1
171 1 5 LYS HB2 1 6 ALA H 4.000 . 5.000 3.554 1.801 4.694 . 0 0 "[ . 1 . 2 . 3]" 1
172 1 6 ALA MB 1 7 ARG H 4.000 . 5.500 2.238 1.760 3.707 0.040 6 0 "[ . 1 . 2 . 3]" 1
173 1 6 ALA HA 1 7 ARG H 3.000 . 3.500 3.202 2.456 3.582 0.082 11 0 "[ . 1 . 2 . 3]" 1
174 1 7 ARG HA 1 8 ASP H 3.000 . 3.500 3.369 2.731 3.551 0.051 27 0 "[ . 1 . 2 . 3]" 1
175 1 8 ASP HA 1 9 TRP H 3.000 . 3.500 2.668 2.227 3.545 0.045 7 0 "[ . 1 . 2 . 3]" 1
176 1 11 ARG H 1 12 ALA MB 4.000 . 5.500 4.546 4.408 4.792 . 0 0 "[ . 1 . 2 . 3]" 1
177 1 13 ASP HB3 1 14 VAL H 4.000 . 5.000 3.841 3.697 3.941 . 0 0 "[ . 1 . 2 . 3]" 1
178 1 13 ASP HA 1 14 VAL H 4.000 . 5.000 3.443 3.401 3.482 . 0 0 "[ . 1 . 2 . 3]" 1
179 1 13 ASP HB2 1 14 VAL H 4.000 . 5.000 2.991 2.915 3.105 . 0 0 "[ . 1 . 2 . 3]" 1
180 1 14 VAL HB 1 15 ILE H 3.000 . 3.500 2.272 2.200 2.435 . 0 0 "[ . 1 . 2 . 3]" 1
181 1 15 ILE MG 1 16 ALA H 4.000 . 5.500 3.436 2.812 3.686 . 0 0 "[ . 1 . 2 . 3]" 1
182 1 15 ILE HB 1 16 ALA H 3.000 . 3.500 2.433 2.183 2.562 . 0 0 "[ . 1 . 2 . 3]" 1
183 1 16 ALA H 1 17 GLY HA3 4.000 . 5.000 5.138 5.097 5.203 0.203 8 0 "[ . 1 . 2 . 3]" 1
184 1 17 GLY HA3 1 18 LEU H 4.000 . 5.000 2.705 2.598 2.797 . 0 0 "[ . 1 . 2 . 3]" 1
185 1 18 LEU HA 1 19 LYS H 4.000 . 5.000 3.563 3.528 3.582 . 0 0 "[ . 1 . 2 . 3]" 1
186 1 18 LEU HB2 1 19 LYS H 4.000 . 5.000 2.408 2.200 2.714 . 0 0 "[ . 1 . 2 . 3]" 1
187 1 20 LYS HA 1 21 ARG H 4.000 . 5.000 3.463 3.417 3.507 . 0 0 "[ . 1 . 2 . 3]" 1
188 1 21 ARG HA 1 22 LYS H 4.000 . 5.000 3.470 3.443 3.502 . 0 0 "[ . 1 . 2 . 3]" 1
189 1 23 LEU HA 1 24 SER H 2.500 . 2.900 2.256 2.211 2.292 . 0 0 "[ . 1 . 2 . 3]" 1
190 1 23 LEU HB3 1 24 SER H 3.000 . 3.500 2.827 2.672 2.994 . 0 0 "[ . 1 . 2 . 3]" 1
191 1 26 SER QB 1 27 ALA H 4.000 . 5.000 2.912 2.479 3.471 . 0 0 "[ . 1 . 2 . 3]" 1
192 1 27 ALA MB 1 28 LEU H 3.000 . 4.000 2.438 2.064 2.629 . 0 0 "[ . 1 . 2 . 3]" 1
193 1 27 ALA HA 1 28 LEU H 4.000 . 5.000 3.572 3.540 3.596 . 0 0 "[ . 1 . 2 . 3]" 1
194 1 28 LEU HA 1 29 SER H 4.000 . 5.000 3.503 3.445 3.557 . 0 0 "[ . 1 . 2 . 3]" 1
195 1 28 LEU HB3 1 29 SER H 4.000 . 5.000 3.768 3.370 4.369 . 0 0 "[ . 1 . 2 . 3]" 1
196 1 28 LEU HB2 1 29 SER H 4.000 . 5.000 2.933 2.503 3.539 . 0 0 "[ . 1 . 2 . 3]" 1
197 1 34 TYR HA 1 35 ALA H 3.000 . 3.500 2.358 2.159 3.539 0.039 12 0 "[ . 1 . 2 . 3]" 1
198 1 37 THR HA 1 38 THR H 4.000 . 5.000 3.562 3.513 3.588 . 0 0 "[ . 1 . 2 . 3]" 1
199 1 41 ASN HB2 1 42 ALA H 4.000 . 5.000 3.814 3.224 4.367 . 0 0 "[ . 1 . 2 . 3]" 1
200 1 42 ALA HA 1 43 LEU H 4.000 . 5.000 3.282 3.095 3.480 . 0 0 "[ . 1 . 2 . 3]" 1
201 1 42 ALA MB 1 43 LEU H 4.000 . 5.500 3.270 2.875 3.513 . 0 0 "[ . 1 . 2 . 3]" 1
202 1 43 LEU H 1 44 GLU QG 4.000 . 5.000 3.957 3.454 4.777 . 0 0 "[ . 1 . 2 . 3]" 1
203 1 43 LEU HB2 1 44 GLU H 4.000 . 5.000 3.022 2.400 3.569 . 0 0 "[ . 1 . 2 . 3]" 1
204 1 43 LEU HB3 1 44 GLU H 4.000 . 5.000 3.936 3.337 4.374 . 0 0 "[ . 1 . 2 . 3]" 1
205 1 44 GLU HB3 1 45 ARG H 4.000 . 5.000 3.922 2.840 4.504 . 0 0 "[ . 1 . 2 . 3]" 1
206 1 45 ARG HA 1 46 HIS H 3.000 . 3.500 2.287 2.188 2.630 . 0 0 "[ . 1 . 2 . 3]" 1
207 1 46 HIS HA 1 47 TRP H 2.500 . 2.900 2.264 2.162 2.417 . 0 0 "[ . 1 . 2 . 3]" 1
208 1 48 PRO HB2 1 49 LYS H 4.000 . 5.000 3.414 3.264 3.500 . 0 0 "[ . 1 . 2 . 3]" 1
209 1 50 GLY HA3 1 51 GLU H 4.000 . 5.000 2.985 2.925 3.042 . 0 0 "[ . 1 . 2 . 3]" 1
210 1 52 GLN HA 1 53 ILE H 4.000 . 5.000 3.560 3.540 3.580 . 0 0 "[ . 1 . 2 . 3]" 1
211 1 53 ILE HB 1 54 ILE H 4.000 . 5.000 2.352 2.212 2.480 . 0 0 "[ . 1 . 2 . 3]" 1
212 1 54 ILE HB 1 55 ALA H 4.000 . 5.000 2.350 2.205 2.506 . 0 0 "[ . 1 . 2 . 3]" 1
213 1 54 ILE MG 1 55 ALA H 4.000 . 5.500 2.977 2.782 3.095 . 0 0 "[ . 1 . 2 . 3]" 1
214 1 55 ALA MB 1 56 ASN H 3.000 . 3.900 2.650 2.549 2.852 . 0 0 "[ . 1 . 2 . 3]" 1
215 1 56 ASN HB3 1 57 ALA H 4.000 . 5.000 2.919 2.383 3.671 . 0 0 "[ . 1 . 2 . 3]" 1
216 1 56 ASN HB2 1 57 ALA H 4.000 . 5.000 3.639 2.641 4.091 . 0 0 "[ . 1 . 2 . 3]" 1
217 1 59 GLU QB 1 60 THR H 4.000 . 5.000 3.667 3.510 3.750 . 0 0 "[ . 1 . 2 . 3]" 1
218 1 59 GLU HA 1 60 THR H 3.000 . 3.500 3.096 3.008 3.228 . 0 0 "[ . 1 . 2 . 3]" 1
219 1 60 THR MG 1 61 LYS H 3.000 . 3.900 2.397 2.170 2.673 . 0 0 "[ . 1 . 2 . 3]" 1
220 1 60 THR HA 1 61 LYS H 4.000 . 5.000 2.734 2.646 2.849 . 0 0 "[ . 1 . 2 . 3]" 1
221 1 62 PRO HD2 1 63 GLU H 4.000 . 5.000 2.796 2.666 2.987 . 0 0 "[ . 1 . 2 . 3]" 1
222 1 63 GLU HA 1 64 VAL H 4.000 . 5.000 3.375 3.323 3.442 . 0 0 "[ . 1 . 2 . 3]" 1
223 1 67 PRO HG2 1 68 SER H 3.000 . 3.500 2.937 2.155 3.508 0.008 14 0 "[ . 1 . 2 . 3]" 1
224 1 71 GLN HA 1 72 ALA H 3.000 . 3.500 2.873 2.251 3.579 0.079 30 0 "[ . 1 . 2 . 3]" 1
225 1 11 ARG HB3 1 12 ALA H 4.000 . 5.000 3.736 2.577 4.323 . 0 0 "[ . 1 . 2 . 3]" 1
226 1 14 VAL MG2 1 15 ILE H 4.000 . 5.500 3.799 3.673 3.893 . 0 0 "[ . 1 . 2 . 3]" 1
227 1 19 LYS HG2 1 20 LYS H 4.000 . 5.000 4.548 4.094 5.175 0.175 22 0 "[ . 1 . 2 . 3]" 1
228 1 20 LYS QB 1 21 ARG H 4.000 . 5.000 2.879 2.702 3.544 . 0 0 "[ . 1 . 2 . 3]" 1
229 1 23 LEU MD2 1 24 SER H 4.000 . 5.500 3.441 2.868 3.779 . 0 0 "[ . 1 . 2 . 3]" 1
230 1 28 LEU HG 1 29 SER H 4.000 . 5.000 4.628 2.218 5.198 0.198 17 0 "[ . 1 . 2 . 3]" 1
231 1 30 ARG QB 1 31 GLN H 4.000 . 5.000 3.431 2.715 3.721 . 0 0 "[ . 1 . 2 . 3]" 1
232 1 31 GLN HB3 1 32 PHE H 4.000 . 5.000 3.587 3.305 3.855 . 0 0 "[ . 1 . 2 . 3]" 1
233 1 48 PRO HD2 1 49 LYS H 4.000 . 5.000 3.012 2.922 3.132 . 0 0 "[ . 1 . 2 . 3]" 1
234 1 52 GLN HG3 1 53 ILE H 4.000 . 5.000 4.583 2.028 5.040 0.040 8 0 "[ . 1 . 2 . 3]" 1
235 1 53 ILE MG 1 54 ILE H 4.000 . 5.500 3.205 2.951 3.579 . 0 0 "[ . 1 . 2 . 3]" 1
236 1 62 PRO HG2 1 63 GLU H 4.000 . 5.000 3.283 3.094 3.693 . 0 0 "[ . 1 . 2 . 3]" 1
237 1 62 PRO HB2 1 63 GLU H 4.000 . 5.000 3.286 3.104 3.563 . 0 0 "[ . 1 . 2 . 3]" 1
238 1 63 GLU HB3 1 64 VAL H 4.000 . 5.000 4.281 4.036 4.439 . 0 0 "[ . 1 . 2 . 3]" 1
239 1 70 TYR H 1 71 GLN HB2 4.000 . 6.000 5.375 4.395 6.205 0.205 25 0 "[ . 1 . 2 . 3]" 1
240 1 10 HIS H 1 13 ASP H 4.000 . 5.000 3.819 3.423 4.044 . 0 0 "[ . 1 . 2 . 3]" 1
241 1 10 HIS H 1 14 VAL H 4.000 . 5.000 4.996 3.396 5.170 0.170 20 0 "[ . 1 . 2 . 3]" 1
242 1 11 ARG H 1 13 ASP H 4.000 . 5.000 4.083 3.959 4.222 . 0 0 "[ . 1 . 2 . 3]" 1
243 1 11 ARG HA 1 14 VAL HB 3.000 . 3.500 3.285 2.966 3.654 0.154 22 0 "[ . 1 . 2 . 3]" 1
244 1 12 ALA H 1 14 VAL H 4.000 . 5.000 3.855 3.612 4.004 . 0 0 "[ . 1 . 2 . 3]" 1
245 1 12 ALA H 1 15 ILE H 4.000 . 5.000 5.003 4.854 5.115 0.115 6 0 "[ . 1 . 2 . 3]" 1
246 1 12 ALA H 1 16 ALA H 4.000 . 6.000 5.443 5.353 5.527 . 0 0 "[ . 1 . 2 . 3]" 1
247 1 13 ASP H 1 16 ALA H 4.000 . 5.000 4.690 4.629 4.751 . 0 0 "[ . 1 . 2 . 3]" 1
248 1 14 VAL H 1 16 ALA H 4.000 . 5.000 3.970 3.875 4.088 . 0 0 "[ . 1 . 2 . 3]" 1
249 1 14 VAL HA 1 16 ALA H 4.000 . 5.000 5.043 4.937 5.123 0.123 17 0 "[ . 1 . 2 . 3]" 1
250 1 16 ALA HA 1 18 LEU H 4.000 . 5.000 4.851 4.653 5.002 0.002 7 0 "[ . 1 . 2 . 3]" 1
251 1 18 LEU HA 1 20 LYS H 4.000 . 5.000 3.713 3.536 4.002 . 0 0 "[ . 1 . 2 . 3]" 1
252 1 19 LYS H 1 21 ARG H 4.000 . 5.000 4.506 4.318 4.689 . 0 0 "[ . 1 . 2 . 3]" 1
253 1 20 LYS HA 1 22 LYS H 4.000 . 6.000 6.146 6.090 6.201 0.201 24 0 "[ . 1 . 2 . 3]" 1
254 1 20 LYS HA 1 23 LEU H 4.000 . 6.000 6.027 5.885 6.136 0.136 15 0 "[ . 1 . 2 . 3]" 1
255 1 24 SER H 1 27 ALA H 4.000 . 5.000 3.596 3.201 3.933 . 0 0 "[ . 1 . 2 . 3]" 1
256 1 24 SER H 1 28 LEU H 4.000 . 5.000 3.450 3.163 3.733 . 0 0 "[ . 1 . 2 . 3]" 1
257 1 25 LEU H 1 27 ALA H 4.000 . 5.000 4.412 4.170 4.653 . 0 0 "[ . 1 . 2 . 3]" 1
258 1 27 ALA HA 1 30 ARG H 4.000 . 5.000 3.607 3.325 3.871 . 0 0 "[ . 1 . 2 . 3]" 1
259 1 29 SER HA 1 31 GLN H 4.000 . 5.000 4.228 4.090 4.546 . 0 0 "[ . 1 . 2 . 3]" 1
260 1 29 SER HA 1 32 PHE H 4.000 . 5.000 3.937 3.755 4.155 . 0 0 "[ . 1 . 2 . 3]" 1
261 1 30 ARG HA 1 33 GLY H 4.000 . 5.000 3.170 2.930 3.431 . 0 0 "[ . 1 . 2 . 3]" 1
262 1 31 GLN HA 1 33 GLY H 4.000 . 5.000 4.665 4.231 4.983 . 0 0 "[ . 1 . 2 . 3]" 1
263 1 32 PHE HA 1 34 TYR H 4.000 . 5.000 4.923 4.524 5.054 0.054 26 0 "[ . 1 . 2 . 3]" 1
264 1 33 GLY QA 1 35 ALA H 4.000 . 5.000 4.865 2.944 5.194 0.194 6 0 "[ . 1 . 2 . 3]" 1
265 1 35 ALA H 1 38 THR H 4.000 . 5.000 4.393 4.034 5.190 0.190 25 0 "[ . 1 . 2 . 3]" 1
266 1 38 THR H 1 40 ALA H 4.000 . 5.000 4.366 4.086 4.652 . 0 0 "[ . 1 . 2 . 3]" 1
267 1 40 ALA HA 1 42 ALA H 4.000 . 5.000 3.706 3.493 3.984 . 0 0 "[ . 1 . 2 . 3]" 1
268 1 42 ALA H 1 44 GLU H 4.000 . 5.000 4.549 4.049 5.085 0.085 16 0 "[ . 1 . 2 . 3]" 1
269 1 42 ALA HA 1 44 GLU H 4.000 . 5.000 3.885 3.393 4.516 . 0 0 "[ . 1 . 2 . 3]" 1
270 1 43 LEU H 1 45 ARG H 4.000 . 6.000 3.790 3.245 5.057 . 0 0 "[ . 1 . 2 . 3]" 1
271 1 49 LYS HA 1 53 ILE H 4.000 . 5.000 4.706 4.561 4.863 . 0 0 "[ . 1 . 2 . 3]" 1
272 1 50 GLY H 1 52 GLN H 4.000 . 5.000 3.975 3.782 4.145 . 0 0 "[ . 1 . 2 . 3]" 1
273 1 50 GLY QA 1 53 ILE H 4.000 . 5.000 3.284 3.125 3.400 . 0 0 "[ . 1 . 2 . 3]" 1
274 1 52 GLN HA 1 56 ASN H 4.000 . 5.000 3.591 3.303 3.835 . 0 0 "[ . 1 . 2 . 3]" 1
275 1 53 ILE H 1 55 ALA H 4.000 . 5.000 4.441 4.283 4.683 . 0 0 "[ . 1 . 2 . 3]" 1
276 1 53 ILE HA 1 57 ALA H 4.000 . 5.000 4.739 4.494 4.875 . 0 0 "[ . 1 . 2 . 3]" 1
277 1 54 ILE H 1 56 ASN H 4.000 . 5.000 3.996 3.867 4.138 . 0 0 "[ . 1 . 2 . 3]" 1
278 1 54 ILE HA 1 56 ASN H 4.000 . 5.000 4.272 4.084 4.416 . 0 0 "[ . 1 . 2 . 3]" 1
279 1 54 ILE HA 1 57 ALA MB 3.000 . 3.800 3.200 2.935 3.635 . 0 0 "[ . 1 . 2 . 3]" 1
280 1 55 ALA H 1 57 ALA H 4.000 . 5.000 4.322 4.169 4.674 . 0 0 "[ . 1 . 2 . 3]" 1
281 1 55 ALA HA 1 57 ALA H 4.000 . 5.000 4.105 3.915 4.516 . 0 0 "[ . 1 . 2 . 3]" 1
282 1 55 ALA H 1 58 LEU H 4.000 . 6.000 5.203 5.027 5.317 . 0 0 "[ . 1 . 2 . 3]" 1
283 1 56 ASN H 1 58 LEU H 4.000 . 5.000 4.256 3.911 4.402 . 0 0 "[ . 1 . 2 . 3]" 1
284 1 56 ASN HA 1 58 LEU H 4.000 . 5.000 4.199 3.865 4.430 . 0 0 "[ . 1 . 2 . 3]" 1
285 1 56 ASN HA 1 59 GLU H 4.000 . 5.000 3.461 3.250 3.817 . 0 0 "[ . 1 . 2 . 3]" 1
286 1 56 ASN HA 1 60 THR H 4.000 . 5.000 4.059 3.673 4.516 . 0 0 "[ . 1 . 2 . 3]" 1
287 1 57 ALA HA 1 60 THR H 4.000 . 6.000 6.102 6.048 6.183 0.183 2 0 "[ . 1 . 2 . 3]" 1
288 1 58 LEU H 1 60 THR H 4.000 . 5.000 3.453 3.376 3.524 . 0 0 "[ . 1 . 2 . 3]" 1
289 1 63 GLU H 1 65 ILE H 4.000 . 5.000 4.493 4.308 4.678 . 0 0 "[ . 1 . 2 . 3]" 1
290 1 63 GLU HA 1 65 ILE H 4.000 . 5.000 4.368 4.256 4.525 . 0 0 "[ . 1 . 2 . 3]" 1
291 1 64 VAL H 1 66 TRP H 4.000 . 5.000 3.633 3.429 3.855 . 0 0 "[ . 1 . 2 . 3]" 1
292 1 66 TRP HA 1 68 SER H 4.000 . 5.000 3.603 3.003 4.640 . 0 0 "[ . 1 . 2 . 3]" 1
293 1 67 PRO HA 1 70 TYR H 4.000 . 5.000 3.489 2.700 4.172 . 0 0 "[ . 1 . 2 . 3]" 1
294 1 68 SER H 1 70 TYR H 4.000 . 5.000 4.306 3.800 4.827 . 0 0 "[ . 1 . 2 . 3]" 1
295 1 68 SER HA 1 70 TYR H 4.000 . 5.000 4.174 3.683 4.793 . 0 0 "[ . 1 . 2 . 3]" 1
296 1 3 ASN HB3 1 6 ALA MB 4.000 . 5.500 4.960 2.540 5.736 0.236 5 0 "[ . 1 . 2 . 3]" 1
297 1 9 TRP HB2 1 13 ASP HA 4.000 . 6.000 6.233 6.160 6.318 0.318 24 0 "[ . 1 . 2 . 3]" 1
298 1 9 TRP HE3 1 14 VAL MG2 3.000 . 3.800 3.475 3.166 3.684 . 0 0 "[ . 1 . 2 . 3]" 1
299 1 9 TRP HZ3 1 14 VAL MG2 4.000 . 5.500 5.309 5.003 5.542 0.042 6 0 "[ . 1 . 2 . 3]" 1
300 1 9 TRP HZ3 1 14 VAL HA 4.000 . 5.000 4.339 4.082 4.628 . 0 0 "[ . 1 . 2 . 3]" 1
301 1 9 TRP HE3 1 14 VAL HA 3.000 . 3.300 2.823 2.610 3.097 . 0 0 "[ . 1 . 2 . 3]" 1
302 1 9 TRP HB2 1 14 VAL MG2 4.000 . 5.500 2.393 2.050 3.101 . 0 0 "[ . 1 . 2 . 3]" 1
303 1 9 TRP HB3 1 14 VAL MG2 4.000 . 5.500 2.514 2.321 2.898 . 0 0 "[ . 1 . 2 . 3]" 1
304 1 11 ARG HA 1 14 VAL MG2 3.000 . 3.800 3.196 2.987 3.483 . 0 0 "[ . 1 . 2 . 3]" 1
305 1 12 ALA HA 1 15 ILE MD 3.000 . 3.800 3.460 2.319 3.980 0.180 13 0 "[ . 1 . 2 . 3]" 1
306 1 12 ALA HA 1 15 ILE HG13 4.000 . 5.000 4.345 4.105 5.003 0.003 20 0 "[ . 1 . 2 . 3]" 1
307 1 12 ALA HA 1 15 ILE HA 4.000 . 6.000 5.473 5.012 5.684 . 0 0 "[ . 1 . 2 . 3]" 1
308 1 12 ALA HA 1 15 ILE HB 3.000 . 3.300 3.079 2.389 3.311 0.011 27 0 "[ . 1 . 2 . 3]" 1
309 1 12 ALA MB 1 15 ILE HB 4.000 . 5.500 4.338 3.493 4.648 . 0 0 "[ . 1 . 2 . 3]" 1
310 1 12 ALA MB 1 15 ILE HG13 4.000 . 5.500 5.637 5.235 5.977 0.477 20 0 "[ . 1 . 2 . 3]" 1
311 1 13 ASP HA 1 16 ALA MB 3.000 . 3.800 2.823 2.668 3.025 . 0 0 "[ . 1 . 2 . 3]" 1
312 1 15 ILE HA 1 18 LEU HB2 4.000 . 5.000 2.663 2.373 3.224 . 0 0 "[ . 1 . 2 . 3]" 1
313 1 15 ILE MG 1 18 LEU MD1 4.000 . 5.500 4.501 3.984 5.051 . 0 0 "[ . 1 . 2 . 3]" 1
314 1 15 ILE HA 1 18 LEU MD1 4.000 . 5.500 3.151 2.685 3.527 . 0 0 "[ . 1 . 2 . 3]" 1
315 1 15 ILE MG 1 19 LYS HG2 4.000 . 5.500 4.415 3.483 4.931 . 0 0 "[ . 1 . 2 . 3]" 1
316 1 15 ILE HB 1 19 LYS QD 4.000 . 5.000 4.822 4.222 5.101 0.101 8 0 "[ . 1 . 2 . 3]" 1
317 1 15 ILE MG 1 19 LYS QE 3.000 . 3.800 3.350 2.171 3.910 0.110 7 0 "[ . 1 . 2 . 3]" 1
318 1 15 ILE MG 1 19 LYS QD 3.000 . 3.800 2.579 2.029 3.228 . 0 0 "[ . 1 . 2 . 3]" 1
319 1 16 ALA MB 1 19 LYS QB 4.000 . 5.500 4.285 3.836 4.492 . 0 0 "[ . 1 . 2 . 3]" 1
320 1 18 LEU MD2 1 23 LEU HB3 4.000 . 5.500 3.512 2.454 4.066 . 0 0 "[ . 1 . 2 . 3]" 1
321 1 18 LEU HA 1 23 LEU MD1 4.000 . 5.500 3.093 2.543 3.788 . 0 0 "[ . 1 . 2 . 3]" 1
322 1 18 LEU MD2 1 23 LEU MD1 3.000 . 3.800 2.008 1.932 2.171 . 0 0 "[ . 1 . 2 . 3]" 1
323 1 19 LYS HA 1 22 LYS HA 4.000 . 5.000 3.901 3.748 4.077 . 0 0 "[ . 1 . 2 . 3]" 1
324 1 20 LYS HA 1 22 LYS HA 4.000 . 6.000 6.214 6.160 6.283 0.283 18 0 "[ . 1 . 2 . 3]" 1
325 1 21 ARG HD2 1 23 LEU MD1 4.000 . 5.500 4.590 3.107 5.590 0.090 19 0 "[ . 1 . 2 . 3]" 1
326 1 21 ARG HB2 1 23 LEU MD1 4.000 . 5.500 3.579 3.088 3.985 . 0 0 "[ . 1 . 2 . 3]" 1
327 1 21 ARG QG 1 23 LEU MD1 4.000 . 5.500 4.737 3.826 5.211 . 0 0 "[ . 1 . 2 . 3]" 1
328 1 21 ARG HB3 1 23 LEU MD1 4.000 . 5.500 4.584 4.173 5.003 . 0 0 "[ . 1 . 2 . 3]" 1
329 1 25 LEU HA 1 28 LEU HB3 4.000 . 5.000 4.397 3.887 5.048 0.048 22 0 "[ . 1 . 2 . 3]" 1
330 1 25 LEU HA 1 28 LEU HB2 4.000 . 5.000 2.953 2.336 4.735 . 0 0 "[ . 1 . 2 . 3]" 1
331 1 26 SER HA 1 29 SER HB3 4.000 . 5.000 3.284 2.546 4.585 . 0 0 "[ . 1 . 2 . 3]" 1
332 1 28 LEU QD 1 32 PHE QD 4.000 . 5.500 4.570 2.802 5.004 . 0 0 "[ . 1 . 2 . 3]" 1
333 1 32 PHE HB3 1 34 TYR HE2 4.000 . 5.000 3.061 2.361 3.541 . 0 0 "[ . 1 . 2 . 3]" 1
334 1 32 PHE HB2 1 34 TYR HE2 4.000 . 5.000 3.798 2.705 4.241 . 0 0 "[ . 1 . 2 . 3]" 1
335 1 34 TYR HE2 1 38 THR MG 4.000 . 5.500 5.095 4.893 5.284 . 0 0 "[ . 1 . 2 . 3]" 1
336 1 34 TYR HB3 1 38 THR HB 3.000 . 3.300 2.354 2.283 2.785 . 0 0 "[ . 1 . 2 . 3]" 1
337 1 34 TYR HB2 1 38 THR HB 3.000 . 3.300 3.096 2.833 3.342 0.042 14 0 "[ . 1 . 2 . 3]" 1
338 1 34 TYR QD 1 38 THR MG 3.000 . 3.800 3.362 3.247 3.499 . 0 0 "[ . 1 . 2 . 3]" 1
339 1 34 TYR QD 1 38 THR HB 4.000 . 5.000 4.465 4.337 4.664 . 0 0 "[ . 1 . 2 . 3]" 1
340 1 35 ALA MB 1 37 THR MG 4.000 . 5.500 2.933 2.349 3.984 . 0 0 "[ . 1 . 2 . 3]" 1
341 1 37 THR MG 1 40 ALA MB 4.000 . 5.500 4.154 3.616 4.612 . 0 0 "[ . 1 . 2 . 3]" 1
342 1 37 THR HA 1 40 ALA MB 3.000 . 3.800 2.602 2.258 3.048 . 0 0 "[ . 1 . 2 . 3]" 1
343 1 37 THR HB 1 40 ALA MB 4.000 . 5.500 4.363 3.719 4.889 . 0 0 "[ . 1 . 2 . 3]" 1
344 1 39 LEU MD1 1 42 ALA MB 3.000 . 3.800 2.860 2.494 3.549 . 0 0 "[ . 1 . 2 . 3]" 1
345 1 40 ALA HA 1 43 LEU HG 4.000 . 5.000 3.598 3.092 4.061 . 0 0 "[ . 1 . 2 . 3]" 1
346 1 40 ALA HA 1 43 LEU MD2 4.000 . 5.500 4.592 4.125 5.051 . 0 0 "[ . 1 . 2 . 3]" 1
347 1 40 ALA HA 1 43 LEU MD1 3.000 . 3.800 3.003 2.387 3.452 . 0 0 "[ . 1 . 2 . 3]" 1
348 1 40 ALA MB 1 43 LEU MD1 3.000 . 3.800 3.534 3.085 3.841 0.041 1 0 "[ . 1 . 2 . 3]" 1
349 1 42 ALA MB 1 47 TRP HE3 3.000 . 3.800 2.276 2.062 2.511 . 0 0 "[ . 1 . 2 . 3]" 1
350 1 46 HIS HA 1 48 PRO HG3 4.000 . 5.000 4.978 4.692 5.108 0.108 17 0 "[ . 1 . 2 . 3]" 1
351 1 49 LYS HA 1 52 GLN HG2 4.000 . 5.000 3.588 2.716 4.732 . 0 0 "[ . 1 . 2 . 3]" 1
352 1 50 GLY HA2 1 53 ILE MD 4.000 . 5.500 2.356 2.186 2.507 . 0 0 "[ . 1 . 2 . 3]" 1
353 1 50 GLY HA3 1 53 ILE MD 4.000 . 5.500 3.598 3.378 3.858 . 0 0 "[ . 1 . 2 . 3]" 1
354 1 51 GLU HA 1 54 ILE HB 4.000 . 5.000 2.994 2.749 3.327 . 0 0 "[ . 1 . 2 . 3]" 1
355 1 52 GLN HA 1 55 ALA MB 3.000 . 3.800 2.599 2.368 2.841 . 0 0 "[ . 1 . 2 . 3]" 1
356 1 53 ILE HA 1 56 ASN HB2 4.000 . 5.000 3.227 2.666 3.930 . 0 0 "[ . 1 . 2 . 3]" 1
357 1 54 ILE MG 1 58 LEU HG 4.000 . 5.500 4.274 3.911 4.586 . 0 0 "[ . 1 . 2 . 3]" 1
358 1 54 ILE MG 1 58 LEU MD1 3.000 . 3.800 3.312 2.684 3.757 . 0 0 "[ . 1 . 2 . 3]" 1
359 1 55 ALA HA 1 58 LEU HB3 4.000 . 5.000 4.765 3.931 5.053 0.053 10 0 "[ . 1 . 2 . 3]" 1
360 1 55 ALA HA 1 58 LEU HB2 4.000 . 5.000 3.071 2.424 3.330 . 0 0 "[ . 1 . 2 . 3]" 1
361 1 55 ALA HA 1 58 LEU MD1 4.000 . 5.500 3.073 2.474 3.462 . 0 0 "[ . 1 . 2 . 3]" 1
362 1 55 ALA MB 1 60 THR MG 3.000 . 3.800 2.490 2.224 2.809 . 0 0 "[ . 1 . 2 . 3]" 1
363 1 55 ALA HA 1 60 THR MG 3.000 . 3.800 2.749 2.370 3.174 . 0 0 "[ . 1 . 2 . 3]" 1
364 1 58 LEU MD1 1 60 THR MG 4.000 . 5.500 2.663 2.479 2.845 . 0 0 "[ . 1 . 2 . 3]" 1
365 1 58 LEU HB3 1 60 THR MG 3.000 . 3.800 2.793 2.140 3.172 . 0 0 "[ . 1 . 2 . 3]" 1
366 1 58 LEU HB2 1 60 THR MG 4.000 . 5.500 2.215 2.085 2.288 . 0 0 "[ . 1 . 2 . 3]" 1
367 1 60 THR MG 1 64 VAL HB 4.000 . 5.500 2.684 2.511 2.977 . 0 0 "[ . 1 . 2 . 3]" 1
368 1 60 THR MG 1 65 ILE MD 3.000 . 3.800 2.681 2.088 3.178 . 0 0 "[ . 1 . 2 . 3]" 1
369 1 60 THR MG 1 65 ILE HA 4.000 . 5.500 5.487 5.259 5.599 0.099 12 0 "[ . 1 . 2 . 3]" 1
370 1 60 THR MG 1 65 ILE HG12 4.000 . 5.500 4.323 3.907 4.636 . 0 0 "[ . 1 . 2 . 3]" 1
371 1 61 LYS HB3 1 64 VAL MG2 4.000 . 5.500 3.885 3.629 4.337 . 0 0 "[ . 1 . 2 . 3]" 1
372 1 61 LYS HB2 1 64 VAL MG2 . . 3.800 2.404 2.253 2.871 . 0 0 "[ . 1 . 2 . 3]" 1
373 1 61 LYS QE 1 64 VAL MG2 4.000 . 5.500 3.211 2.540 3.916 . 0 0 "[ . 1 . 2 . 3]" 1
374 1 61 LYS QE 1 64 VAL MG1 4.000 . 5.500 5.163 4.556 5.575 0.075 7 0 "[ . 1 . 2 . 3]" 1
375 1 61 LYS QD 1 64 VAL MG2 . . 3.800 3.079 2.140 3.944 0.144 4 0 "[ . 1 . 2 . 3]" 1
376 1 62 PRO HA 1 65 ILE HB 4.000 . 5.000 3.435 3.151 3.821 . 0 0 "[ . 1 . 2 . 3]" 1
377 1 62 PRO HA 1 65 ILE MD 4.000 . 5.000 2.591 2.070 3.143 . 0 0 "[ . 1 . 2 . 3]" 1
378 1 62 PRO HA 1 66 TRP HE3 4.000 . 5.000 3.338 2.973 4.070 . 0 0 "[ . 1 . 2 . 3]" 1
379 1 63 GLU HA 1 67 PRO HA 4.000 . 5.000 3.865 3.341 4.368 . 0 0 "[ . 1 . 2 . 3]" 1
380 1 65 ILE HA 1 67 PRO HD2 4.000 . 5.000 4.811 4.407 5.227 0.227 7 0 "[ . 1 . 2 . 3]" 1
381 1 9 TRP HB3 1 13 ASP HB2 4.000 . 5.000 2.340 2.303 2.444 . 0 0 "[ . 1 . 2 . 3]" 1
382 1 10 HIS HB2 1 12 ALA MB 4.000 . 5.500 3.988 2.974 5.113 . 0 0 "[ . 1 . 2 . 3]" 1
383 1 11 ARG QD 1 15 ILE MD 4.000 . 5.500 4.831 2.539 5.635 0.135 4 0 "[ . 1 . 2 . 3]" 1
384 1 12 ALA HA 1 15 ILE MG 4.000 . 5.500 4.594 3.954 4.814 . 0 0 "[ . 1 . 2 . 3]" 1
385 1 14 VAL MG1 1 18 LEU MD1 3.000 . 3.800 2.067 1.917 2.381 . 0 0 "[ . 1 . 2 . 3]" 1
386 1 15 ILE MG 1 19 LYS QB 4.000 . 5.500 2.409 2.070 3.509 . 0 0 "[ . 1 . 2 . 3]" 1
387 1 16 ALA HA 1 19 LYS QD 4.000 . 5.000 4.097 3.192 4.734 . 0 0 "[ . 1 . 2 . 3]" 1
388 1 16 ALA HA 1 19 LYS QB 3.000 . 3.300 2.855 2.304 3.106 . 0 0 "[ . 1 . 2 . 3]" 1
389 1 16 ALA MB 1 20 LYS QB 4.000 . 5.500 4.768 4.328 5.588 0.088 15 0 "[ . 1 . 2 . 3]" 1
390 1 17 GLY HA2 1 20 LYS QD 4.000 . 5.000 3.604 2.301 5.074 0.074 3 0 "[ . 1 . 2 . 3]" 1
391 1 23 LEU HA 1 27 ALA MB 4.000 . 5.500 3.535 2.894 3.869 . 0 0 "[ . 1 . 2 . 3]" 1
392 1 23 LEU MD2 1 27 ALA MB 4.000 . 5.500 3.910 2.624 4.628 . 0 0 "[ . 1 . 2 . 3]" 1
393 1 26 SER HA 1 29 SER HB2 4.000 . 5.000 3.971 2.890 4.784 . 0 0 "[ . 1 . 2 . 3]" 1
394 1 27 ALA HA 1 30 ARG QD 4.000 . 5.000 3.285 2.335 5.094 0.094 24 0 "[ . 1 . 2 . 3]" 1
395 1 27 ALA HA 1 30 ARG QB 4.000 . 5.000 3.960 2.520 4.620 . 0 0 "[ . 1 . 2 . 3]" 1
396 1 28 LEU HA 1 31 GLN HB3 4.000 . 5.000 3.805 3.681 4.146 . 0 0 "[ . 1 . 2 . 3]" 1
397 1 28 LEU HA 1 31 GLN HB2 4.000 . 5.000 2.350 2.282 2.623 . 0 0 "[ . 1 . 2 . 3]" 1
398 1 38 THR MG 1 42 ALA MB 4.000 . 5.500 3.373 2.751 3.975 . 0 0 "[ . 1 . 2 . 3]" 1
399 1 39 LEU HA 1 42 ALA MB 4.000 . 5.500 2.506 2.226 2.907 . 0 0 "[ . 1 . 2 . 3]" 1
400 1 42 ALA HA 1 47 TRP HE3 4.000 . 5.000 3.056 2.555 3.533 . 0 0 "[ . 1 . 2 . 3]" 1
401 1 42 ALA HA 1 47 TRP HB2 4.000 . 5.000 4.735 4.171 5.042 0.042 3 0 "[ . 1 . 2 . 3]" 1
402 1 49 LYS HA 1 52 GLN HB3 4.000 . 5.000 4.359 2.602 4.690 . 0 0 "[ . 1 . 2 . 3]" 1
403 1 49 LYS HE2 1 52 GLN HB2 4.000 . 5.000 4.347 2.938 5.110 0.110 8 0 "[ . 1 . 2 . 3]" 1
404 1 54 ILE MG 1 58 LEU MD2 4.000 . 5.500 5.030 4.750 5.309 . 0 0 "[ . 1 . 2 . 3]" 1
405 1 58 LEU HG 1 60 THR MG 4.000 . 5.500 4.233 4.006 4.444 . 0 0 "[ . 1 . 2 . 3]" 1
406 1 61 LYS HG3 1 64 VAL MG2 4.000 . 5.500 4.108 3.100 4.800 . 0 0 "[ . 1 . 2 . 3]" 1
407 1 10 HIS HB2 1 13 ASP H 4.000 . 5.000 3.090 2.111 4.132 . 0 0 "[ . 1 . 2 . 3]" 1
408 1 10 HIS H 1 13 ASP HB2 4.000 . 5.000 2.453 2.211 2.549 . 0 0 "[ . 1 . 2 . 3]" 1
409 1 11 ARG HA 1 14 VAL H 4.000 . 5.000 3.754 3.607 3.913 . 0 0 "[ . 1 . 2 . 3]" 1
410 1 13 ASP HA 1 16 ALA H 4.000 . 5.000 4.096 3.983 4.198 . 0 0 "[ . 1 . 2 . 3]" 1
411 1 14 VAL MG1 1 18 LEU H 4.000 . 5.500 4.379 4.177 4.557 . 0 0 "[ . 1 . 2 . 3]" 1
412 1 15 ILE HA 1 18 LEU H 4.000 . 5.000 3.594 3.331 4.090 . 0 0 "[ . 1 . 2 . 3]" 1
413 1 17 GLY HA3 1 20 LYS H 4.000 . 5.000 4.653 4.518 4.808 . 0 0 "[ . 1 . 2 . 3]" 1
414 1 19 LYS HA 1 23 LEU H 4.000 . 5.000 2.069 1.777 2.515 0.023 1 0 "[ . 1 . 2 . 3]" 1
415 1 20 LYS H 1 22 LYS HA 4.000 . 6.000 6.202 6.133 6.277 0.277 26 0 "[ . 1 . 2 . 3]" 1
416 1 23 LEU MD1 1 25 LEU H 4.000 . 6.500 6.592 6.509 6.713 0.213 18 0 "[ . 1 . 2 . 3]" 1
417 1 28 LEU HA 1 31 GLN H 3.000 . 3.500 3.480 3.156 3.595 0.095 26 0 "[ . 1 . 2 . 3]" 1
418 1 35 ALA MB 1 38 THR H 4.000 . 5.500 2.925 2.041 3.275 . 0 0 "[ . 1 . 2 . 3]" 1
419 1 40 ALA HA 1 43 LEU H 4.000 . 5.000 4.422 3.936 5.003 0.003 16 0 "[ . 1 . 2 . 3]" 1
420 1 42 ALA H 1 47 TRP HE3 4.000 . 5.000 4.638 3.955 5.079 0.079 16 0 "[ . 1 . 2 . 3]" 1
421 1 49 LYS HA 1 52 GLN H 3.000 . 3.500 3.229 3.114 3.363 . 0 0 "[ . 1 . 2 . 3]" 1
422 1 50 GLY HA2 1 54 ILE H 4.000 . 5.000 4.722 4.542 4.836 . 0 0 "[ . 1 . 2 . 3]" 1
423 1 52 GLN HA 1 55 ALA H 4.000 . 5.000 3.615 3.413 3.778 . 0 0 "[ . 1 . 2 . 3]" 1
424 1 54 ILE HA 1 57 ALA H 4.000 . 5.000 3.600 3.448 3.806 . 0 0 "[ . 1 . 2 . 3]" 1
425 1 55 ALA HA 1 58 LEU H 4.000 . 5.000 3.310 3.198 3.426 . 0 0 "[ . 1 . 2 . 3]" 1
426 1 58 LEU HA 1 60 THR H 4.000 . 5.000 4.223 3.959 4.432 . 0 0 "[ . 1 . 2 . 3]" 1
427 1 61 LYS HB3 1 63 GLU H 4.000 . 5.000 2.913 2.588 3.231 . 0 0 "[ . 1 . 2 . 3]" 1
428 1 61 LYS H 1 64 VAL MG2 4.000 . 5.500 2.421 2.218 2.570 . 0 0 "[ . 1 . 2 . 3]" 1
429 1 63 GLU HA 1 66 TRP H 4.000 . 5.000 3.565 3.371 3.823 . 0 0 "[ . 1 . 2 . 3]" 1
430 1 12 ALA HA 1 16 ALA H 2.500 . 2.900 2.972 2.869 3.064 0.164 9 0 "[ . 1 . 2 . 3]" 1
431 1 24 SER H 1 27 ALA MB 3.000 . 4.000 2.474 2.000 2.861 . 0 0 "[ . 1 . 2 . 3]" 1
432 1 28 LEU H 1 31 GLN HG3 4.000 . 5.000 4.935 4.357 5.103 0.103 4 0 "[ . 1 . 2 . 3]" 1
433 1 53 ILE HA 1 56 ASN H 4.000 . 5.000 3.797 3.607 4.084 . 0 0 "[ . 1 . 2 . 3]" 1
434 1 7 ARG QG 1 69 ARG HA 4.000 . 6.000 6.089 5.742 6.297 0.297 19 0 "[ . 1 . 2 . 3]" 1
435 1 8 ASP HA 1 67 PRO HG3 4.000 . 5.000 5.029 4.755 5.208 0.208 12 0 "[ . 1 . 2 . 3]" 1
436 1 8 ASP HA 1 67 PRO HD3 4.000 . 5.000 4.187 3.697 5.379 0.379 7 0 "[ . 1 . 2 . 3]" 1
437 1 8 ASP HA 1 67 PRO HD2 4.000 . 5.000 2.821 2.324 4.574 . 0 0 "[ . 1 . 2 . 3]" 1
438 1 9 TRP HE3 1 18 LEU MD1 4.000 . 5.500 5.177 4.784 5.605 0.105 22 0 "[ . 1 . 2 . 3]" 1
439 1 9 TRP HZ3 1 58 LEU MD1 4.000 . 5.500 4.016 3.071 4.398 . 0 0 "[ . 1 . 2 . 3]" 1
440 1 9 TRP HZ2 1 60 THR MG 4.000 . 5.500 5.583 5.336 5.718 0.218 26 0 "[ . 1 . 2 . 3]" 1
441 1 9 TRP HH2 1 64 VAL MG2 4.000 . 6.500 6.485 6.163 6.621 0.121 7 0 "[ . 1 . 2 . 3]" 1
442 1 9 TRP HZ2 1 64 VAL MG1 4.000 . 5.500 2.663 2.460 2.886 . 0 0 "[ . 1 . 2 . 3]" 1
443 1 9 TRP HD1 1 65 ILE HA 4.000 . 5.000 3.181 3.030 3.356 . 0 0 "[ . 1 . 2 . 3]" 1
444 1 9 TRP HB3 1 65 ILE MG 4.000 . 5.500 3.203 2.760 3.495 . 0 0 "[ . 1 . 2 . 3]" 1
445 1 9 TRP HB2 1 65 ILE MG 4.000 . 5.500 2.301 2.176 2.533 . 0 0 "[ . 1 . 2 . 3]" 1
446 1 11 ARG HA 1 43 LEU MD1 4.000 . 5.500 4.083 3.363 5.009 . 0 0 "[ . 1 . 2 . 3]" 1
447 1 11 ARG HB3 1 43 LEU MD2 4.000 . 5.500 5.226 4.438 5.612 0.112 13 0 "[ . 1 . 2 . 3]" 1
448 1 11 ARG HA 1 43 LEU MD2 4.000 . 5.500 4.052 3.334 4.595 . 0 0 "[ . 1 . 2 . 3]" 1
449 1 11 ARG HB3 1 43 LEU MD1 4.000 . 5.500 4.304 3.242 5.385 . 0 0 "[ . 1 . 2 . 3]" 1
450 1 14 VAL HB 1 43 LEU MD2 4.000 . 5.500 4.080 3.500 4.773 . 0 0 "[ . 1 . 2 . 3]" 1
451 1 14 VAL MG1 1 43 LEU MD2 3.000 . 3.800 2.888 2.217 3.553 . 0 0 "[ . 1 . 2 . 3]" 1
452 1 14 VAL HA 1 54 ILE MG 4.000 . 5.500 4.804 4.322 5.107 . 0 0 "[ . 1 . 2 . 3]" 1
453 1 14 VAL MG1 1 54 ILE MG 3.000 . 3.800 2.805 2.622 2.891 . 0 0 "[ . 1 . 2 . 3]" 1
454 1 14 VAL HB 1 54 ILE MG 4.000 . 5.500 5.520 5.282 5.634 0.134 23 0 "[ . 1 . 2 . 3]" 1
455 1 14 VAL MG1 1 54 ILE MD 4.000 . 5.500 2.883 2.562 3.288 . 0 0 "[ . 1 . 2 . 3]" 1
456 1 14 VAL MG2 1 54 ILE MG 4.000 . 5.500 4.221 3.711 4.635 . 0 0 "[ . 1 . 2 . 3]" 1
457 1 14 VAL HA 1 58 LEU MD1 4.000 . 5.500 5.188 4.943 5.394 . 0 0 "[ . 1 . 2 . 3]" 1
458 1 14 VAL MG1 1 65 ILE MD 4.000 . 5.500 4.340 3.563 5.490 . 0 0 "[ . 1 . 2 . 3]" 1
459 1 14 VAL MG2 1 65 ILE MG 3.000 . 3.800 2.313 2.038 2.584 . 0 0 "[ . 1 . 2 . 3]" 1
460 1 14 VAL MG2 1 65 ILE MD 4.000 . 5.500 4.449 3.750 5.272 . 0 0 "[ . 1 . 2 . 3]" 1
461 1 14 VAL MG2 1 66 TRP HZ2 4.000 . 5.500 2.714 2.314 3.534 . 0 0 "[ . 1 . 2 . 3]" 1
462 1 15 ILE MD 1 25 LEU HG 3.000 . 3.800 3.676 2.781 3.948 0.148 13 0 "[ . 1 . 2 . 3]" 1
463 1 15 ILE MD 1 25 LEU MD1 2.500 . 3.200 2.099 1.930 2.469 . 0 0 "[ . 1 . 2 . 3]" 1
464 1 15 ILE MG 1 28 LEU QD 4.000 . 6.000 5.320 4.199 5.965 . 0 0 "[ . 1 . 2 . 3]" 1
465 1 15 ILE MD 1 43 LEU MD2 4.000 . 5.500 4.645 3.309 5.552 0.052 6 0 "[ . 1 . 2 . 3]" 1
466 1 17 GLY HA3 1 58 LEU MD2 4.000 . 5.500 5.359 4.825 5.565 0.065 27 0 "[ . 1 . 2 . 3]" 1
467 1 18 LEU MD1 1 24 SER HA 4.000 . 5.500 5.248 4.302 5.607 0.107 10 0 "[ . 1 . 2 . 3]" 1
468 1 18 LEU MD2 1 54 ILE MG 3.000 . 3.800 2.533 2.370 2.778 . 0 0 "[ . 1 . 2 . 3]" 1
469 1 18 LEU MD2 1 57 ALA MB 3.000 . 3.800 2.713 2.341 3.349 . 0 0 "[ . 1 . 2 . 3]" 1
470 1 18 LEU HA 1 58 LEU MD2 3.000 . 3.800 3.078 2.719 3.581 . 0 0 "[ . 1 . 2 . 3]" 1
471 1 18 LEU MD2 1 58 LEU HA 4.000 . 5.500 4.238 4.000 4.417 . 0 0 "[ . 1 . 2 . 3]" 1
472 1 21 ARG HD3 1 58 LEU HA 4.000 . 5.000 5.032 4.728 5.119 0.119 1 0 "[ . 1 . 2 . 3]" 1
473 1 21 ARG HD3 1 58 LEU MD2 3.000 . 3.800 3.348 2.562 3.809 0.009 16 0 "[ . 1 . 2 . 3]" 1
474 1 21 ARG HD2 1 58 LEU MD2 4.000 . 5.500 3.592 2.446 4.949 . 0 0 "[ . 1 . 2 . 3]" 1
475 1 23 LEU MD1 1 54 ILE HG12 4.000 . 5.500 5.646 5.553 5.749 0.249 4 0 "[ . 1 . 2 . 3]" 1
476 1 23 LEU MD1 1 57 ALA HA 4.000 . 5.500 3.954 3.764 4.135 . 0 0 "[ . 1 . 2 . 3]" 1
477 1 23 LEU MD2 1 58 LEU HG 4.000 . 5.500 5.557 5.404 5.662 0.162 26 0 "[ . 1 . 2 . 3]" 1
478 1 25 LEU MD2 1 40 ALA HA 4.000 . 5.500 3.588 2.715 4.022 . 0 0 "[ . 1 . 2 . 3]" 1
479 1 25 LEU MD2 1 43 LEU MD2 4.000 . 5.500 3.512 2.811 4.294 . 0 0 "[ . 1 . 2 . 3]" 1
480 1 25 LEU HB3 1 54 ILE MD 4.000 . 5.500 4.737 4.280 5.263 . 0 0 "[ . 1 . 2 . 3]" 1
481 1 25 LEU MD2 1 54 ILE HG12 4.000 . 5.500 2.935 2.322 4.906 . 0 0 "[ . 1 . 2 . 3]" 1
482 1 25 LEU MD2 1 54 ILE MD 3.000 . 3.800 2.333 1.964 3.583 . 0 0 "[ . 1 . 2 . 3]" 1
483 1 25 LEU MD2 1 54 ILE HG13 4.000 . 5.500 3.831 3.382 5.544 0.044 9 0 "[ . 1 . 2 . 3]" 1
484 1 26 SER HA 1 36 PRO HA 4.000 . 5.000 3.673 2.997 4.293 . 0 0 "[ . 1 . 2 . 3]" 1
485 1 28 LEU HB2 1 39 LEU MD1 3.000 . 3.800 3.745 2.912 4.012 0.212 19 0 "[ . 1 . 2 . 3]" 1
486 1 28 LEU HB2 1 53 ILE MG 4.000 . 5.500 3.771 2.367 4.665 . 0 0 "[ . 1 . 2 . 3]" 1
487 1 28 LEU HG 1 53 ILE MG 4.000 . 5.500 3.942 2.543 5.393 . 0 0 "[ . 1 . 2 . 3]" 1
488 1 28 LEU HB3 1 53 ILE MG 3.000 . 3.800 2.702 2.059 3.360 . 0 0 "[ . 1 . 2 . 3]" 1
489 1 28 LEU QD 1 53 ILE MG 3.000 . 3.800 2.832 2.032 3.435 . 0 0 "[ . 1 . 2 . 3]" 1
490 1 28 LEU QD 1 54 ILE HA 3.000 . 3.800 2.546 2.254 3.325 . 0 0 "[ . 1 . 2 . 3]" 1
491 1 28 LEU QD 1 54 ILE MG 4.000 . 5.500 3.296 2.890 4.046 . 0 0 "[ . 1 . 2 . 3]" 1
492 1 28 LEU QD 1 57 ALA HA 4.000 . 5.500 4.672 3.748 5.149 . 0 0 "[ . 1 . 2 . 3]" 1
493 1 29 SER HA 1 39 LEU HB3 4.000 . 5.000 4.559 3.737 5.290 0.290 22 0 "[ . 1 . 2 . 3]" 1
494 1 29 SER HB3 1 39 LEU MD1 4.000 . 5.500 5.042 3.947 5.573 0.073 14 0 "[ . 1 . 2 . 3]" 1
495 1 29 SER HA 1 39 LEU MD1 4.000 . 5.500 4.397 3.140 5.374 . 0 0 "[ . 1 . 2 . 3]" 1
496 1 32 PHE HB3 1 53 ILE MD 4.000 . 5.500 3.951 3.439 4.500 . 0 0 "[ . 1 . 2 . 3]" 1
497 1 32 PHE HB2 1 53 ILE MD 4.000 . 5.500 3.584 2.830 4.105 . 0 0 "[ . 1 . 2 . 3]" 1
498 1 32 PHE QD 1 53 ILE MG 4.000 . 5.500 3.077 2.573 3.657 . 0 0 "[ . 1 . 2 . 3]" 1
499 1 34 TYR QD 1 47 TRP HZ2 4.000 . 5.000 4.771 4.666 4.920 . 0 0 "[ . 1 . 2 . 3]" 1
500 1 34 TYR HE2 1 53 ILE MD 3.000 . 3.800 2.540 2.077 3.585 . 0 0 "[ . 1 . 2 . 3]" 1
501 1 34 TYR QD 1 53 ILE MD 4.000 . 5.500 2.565 2.202 3.260 . 0 0 "[ . 1 . 2 . 3]" 1
502 1 38 THR MG 1 47 TRP HZ3 3.000 . 3.800 2.250 2.067 2.647 . 0 0 "[ . 1 . 2 . 3]" 1
503 1 38 THR MG 1 47 TRP HH2 3.000 . 3.800 2.840 2.277 3.131 . 0 0 "[ . 1 . 2 . 3]" 1
504 1 38 THR MG 1 53 ILE MG 4.000 . 5.500 5.556 5.364 5.685 0.185 9 0 "[ . 1 . 2 . 3]" 1
505 1 39 LEU HA 1 47 TRP HE3 4.000 . 5.000 4.593 4.136 4.882 . 0 0 "[ . 1 . 2 . 3]" 1
506 1 39 LEU MD1 1 47 TRP HE3 4.000 . 5.500 4.994 4.419 5.279 . 0 0 "[ . 1 . 2 . 3]" 1
507 1 39 LEU MD1 1 47 TRP HZ3 4.000 . 5.500 3.562 3.121 3.858 . 0 0 "[ . 1 . 2 . 3]" 1
508 1 39 LEU HA 1 47 TRP HZ3 3.000 . 3.300 3.009 2.598 3.318 0.018 26 0 "[ . 1 . 2 . 3]" 1
509 1 39 LEU MD1 1 47 TRP HH2 4.000 . 5.500 4.612 4.093 5.190 . 0 0 "[ . 1 . 2 . 3]" 1
510 1 39 LEU MD1 1 50 GLY HA3 . . 3.800 3.808 3.429 3.912 0.112 15 0 "[ . 1 . 2 . 3]" 1
511 1 39 LEU MD1 1 50 GLY HA2 3.000 . 3.800 3.855 3.571 4.011 0.211 10 0 "[ . 1 . 2 . 3]" 1
512 1 39 LEU MD1 1 53 ILE HB 4.000 . 5.500 3.125 2.431 3.591 . 0 0 "[ . 1 . 2 . 3]" 1
513 1 39 LEU MD1 1 53 ILE MG 3.000 . 3.800 3.028 2.053 3.813 0.013 12 0 "[ . 1 . 2 . 3]" 1
514 1 39 LEU MD1 1 53 ILE MD 3.000 . 3.800 2.958 2.019 3.614 . 0 0 "[ . 1 . 2 . 3]" 1
515 1 39 LEU HB3 1 54 ILE MD 4.000 . 5.500 4.939 3.591 5.552 0.052 18 0 "[ . 1 . 2 . 3]" 1
516 1 39 LEU MD1 1 54 ILE MD 3.000 . 3.800 2.379 1.989 3.252 . 0 0 "[ . 1 . 2 . 3]" 1
517 1 39 LEU MD1 1 54 ILE HG12 3.000 . 3.800 2.963 2.513 3.530 . 0 0 "[ . 1 . 2 . 3]" 1
518 1 39 LEU MD2 1 54 ILE MG 4.000 . 6.000 5.416 4.671 6.145 0.145 22 0 "[ . 1 . 2 . 3]" 1
519 1 39 LEU HG 1 54 ILE MD 4.000 . 5.500 3.773 2.870 4.607 . 0 0 "[ . 1 . 2 . 3]" 1
520 1 39 LEU MD1 1 54 ILE HG13 4.000 . 5.500 2.332 2.183 2.675 . 0 0 "[ . 1 . 2 . 3]" 1
521 1 42 ALA MB 1 50 GLY HA3 3.000 . 3.800 2.493 2.234 2.866 . 0 0 "[ . 1 . 2 . 3]" 1
522 1 42 ALA MB 1 50 GLY HA2 4.000 . 5.500 3.865 3.555 4.219 . 0 0 "[ . 1 . 2 . 3]" 1
523 1 42 ALA MB 1 51 GLU HA 4.000 . 5.500 4.408 3.552 5.138 . 0 0 "[ . 1 . 2 . 3]" 1
524 1 42 ALA MB 1 54 ILE MD 3.000 . 3.800 3.483 2.937 3.817 0.017 10 0 "[ . 1 . 2 . 3]" 1
525 1 43 LEU MD1 1 54 ILE MD 4.000 . 5.500 4.466 3.935 5.119 . 0 0 "[ . 1 . 2 . 3]" 1
526 1 43 LEU MD2 1 54 ILE MD 3.000 . 3.800 3.244 2.812 3.791 . 0 0 "[ . 1 . 2 . 3]" 1
527 1 43 LEU MD2 1 54 ILE MG 4.000 . 5.500 4.776 4.246 5.406 . 0 0 "[ . 1 . 2 . 3]" 1
528 1 43 LEU MD2 1 66 TRP HZ3 4.000 . 5.500 5.451 5.119 5.594 0.094 13 0 "[ . 1 . 2 . 3]" 1
529 1 43 LEU MD2 1 66 TRP HZ2 3.000 . 3.800 2.405 2.138 2.950 . 0 0 "[ . 1 . 2 . 3]" 1
530 1 51 GLU HA 1 66 TRP HZ3 4.000 . 5.000 3.300 2.797 3.725 . 0 0 "[ . 1 . 2 . 3]" 1
531 1 51 GLU HA 1 66 TRP HH2 4.000 . 5.000 3.681 3.087 4.228 . 0 0 "[ . 1 . 2 . 3]" 1
532 1 52 GLN HA 1 62 PRO HD2 4.000 . 5.000 4.772 4.421 5.040 0.040 26 0 "[ . 1 . 2 . 3]" 1
533 1 54 ILE MG 1 65 ILE MG 4.000 . 5.500 3.658 3.297 4.036 . 0 0 "[ . 1 . 2 . 3]" 1
534 1 54 ILE MG 1 65 ILE MD 3.000 . 3.800 2.705 2.096 3.613 . 0 0 "[ . 1 . 2 . 3]" 1
535 1 54 ILE MG 1 66 TRP HH2 3.000 . 3.800 3.036 2.498 3.604 . 0 0 "[ . 1 . 2 . 3]" 1
536 1 54 ILE MD 1 66 TRP HH2 4.000 . 5.500 2.304 2.040 2.818 . 0 0 "[ . 1 . 2 . 3]" 1
537 1 54 ILE HB 1 66 TRP HH2 4.000 . 5.000 3.410 2.892 4.132 . 0 0 "[ . 1 . 2 . 3]" 1
538 1 54 ILE MD 1 66 TRP HZ2 4.000 . 5.500 3.839 3.270 4.285 . 0 0 "[ . 1 . 2 . 3]" 1
539 1 54 ILE MG 1 66 TRP HZ2 4.000 . 5.500 4.776 4.224 5.294 . 0 0 "[ . 1 . 2 . 3]" 1
540 1 55 ALA MB 1 61 LYS HB3 4.000 . 5.500 4.724 4.561 4.976 . 0 0 "[ . 1 . 2 . 3]" 1
541 1 55 ALA MB 1 61 LYS HA 3.000 . 3.800 3.014 2.719 3.382 . 0 0 "[ . 1 . 2 . 3]" 1
542 1 55 ALA MB 1 62 PRO HB2 4.000 . 5.500 4.123 3.648 4.430 . 0 0 "[ . 1 . 2 . 3]" 1
543 1 55 ALA MB 1 62 PRO HA 3.000 . 3.800 2.299 2.098 2.556 . 0 0 "[ . 1 . 2 . 3]" 1
544 1 55 ALA MB 1 62 PRO HG2 4.000 . 5.500 4.297 4.012 4.637 . 0 0 "[ . 1 . 2 . 3]" 1
545 1 55 ALA MB 1 62 PRO HD3 3.000 . 3.800 2.459 2.207 2.740 . 0 0 "[ . 1 . 2 . 3]" 1
546 1 55 ALA HA 1 65 ILE MD 3.000 . 3.800 2.630 2.341 2.987 . 0 0 "[ . 1 . 2 . 3]" 1
547 1 55 ALA MB 1 65 ILE MD 3.000 . 3.800 2.466 2.204 2.957 . 0 0 "[ . 1 . 2 . 3]" 1
548 1 55 ALA MB 1 66 TRP HZ3 4.000 . 5.500 3.559 3.063 4.362 . 0 0 "[ . 1 . 2 . 3]" 1
549 1 58 LEU MD1 1 64 VAL MG2 4.000 . 5.500 5.502 5.123 5.642 0.142 4 0 "[ . 1 . 2 . 3]" 1
550 1 58 LEU MD1 1 65 ILE MG 4.000 . 5.500 4.476 4.029 4.908 . 0 0 "[ . 1 . 2 . 3]" 1
551 1 58 LEU MD1 1 65 ILE MD 3.000 . 3.800 2.504 2.023 3.073 . 0 0 "[ . 1 . 2 . 3]" 1
552 1 62 PRO HB2 1 70 TYR HE2 4.000 . 5.000 3.398 2.863 3.826 . 0 0 "[ . 1 . 2 . 3]" 1
553 1 63 GLU HA 1 70 TYR HD2 3.000 . 3.300 2.853 2.300 3.467 0.167 16 0 "[ . 1 . 2 . 3]" 1
554 1 11 ARG QD 1 43 LEU MD1 4.000 . 5.500 4.205 2.086 5.581 0.081 9 0 "[ . 1 . 2 . 3]" 1
555 1 18 LEU MD1 1 57 ALA MB 4.000 . 5.500 4.089 3.719 4.586 . 0 0 "[ . 1 . 2 . 3]" 1
556 1 18 LEU HG 1 58 LEU MD2 3.000 . 3.800 3.821 3.708 3.937 0.137 7 0 "[ . 1 . 2 . 3]" 1
557 1 23 LEU MD1 1 57 ALA MB 3.000 . 3.800 1.952 1.873 2.102 . 0 0 "[ . 1 . 2 . 3]" 1
558 1 25 LEU HB3 1 39 LEU HG 3.000 . 3.300 3.406 3.321 3.506 0.206 22 0 "[ . 1 . 2 . 3]" 1
559 1 28 LEU QD 1 57 ALA MB 2.500 . 3.200 2.594 2.133 3.005 . 0 0 "[ . 1 . 2 . 3]" 1
560 1 29 SER HB3 1 39 LEU MD2 4.000 . 5.500 3.331 2.158 3.928 . 0 0 "[ . 1 . 2 . 3]" 1
561 1 29 SER HA 1 39 LEU HG 4.000 . 5.000 4.475 3.008 5.224 0.224 23 0 "[ . 1 . 2 . 3]" 1
562 1 32 PHE QD 1 53 ILE MD 4.000 . 5.500 3.858 3.413 4.235 . 0 0 "[ . 1 . 2 . 3]" 1
563 1 52 GLN HA 1 62 PRO HG2 4.000 . 5.000 4.456 3.986 4.830 . 0 0 "[ . 1 . 2 . 3]" 1
564 1 52 GLN HA 1 62 PRO HG3 3.000 . 3.300 2.713 2.347 3.080 . 0 0 "[ . 1 . 2 . 3]" 1
565 1 55 ALA MB 1 62 PRO HG3 4.000 . 5.500 3.292 2.866 3.664 . 0 0 "[ . 1 . 2 . 3]" 1
566 1 55 ALA MB 1 62 PRO HB3 4.000 . 5.500 2.910 2.280 3.297 . 0 0 "[ . 1 . 2 . 3]" 1
567 1 5 LYS HA 1 11 ARG H 4.000 . 5.000 4.985 3.799 5.368 0.368 9 0 "[ . 1 . 2 . 3]" 1
568 1 7 ARG QG 1 69 ARG H 4.000 . 6.000 5.988 5.100 6.316 0.316 11 0 "[ . 1 . 2 . 3]" 1
569 1 8 ASP HA 1 68 SER H 4.000 . 5.000 4.081 3.199 5.503 0.503 7 1 "[ . + 1 . 2 . 3]" 1
570 1 9 TRP HE1 1 64 VAL MG1 3.000 . 4.000 3.668 3.319 3.980 . 0 0 "[ . 1 . 2 . 3]" 1
571 1 9 TRP HE1 1 65 ILE HA 4.000 . 5.000 2.655 2.485 3.015 . 0 0 "[ . 1 . 2 . 3]" 1
572 1 9 TRP H 1 67 PRO HD2 4.000 . 5.000 3.936 3.516 4.428 . 0 0 "[ . 1 . 2 . 3]" 1
573 1 18 LEU MD1 1 56 ASN H 4.000 . 6.500 6.652 6.548 6.732 0.232 4 0 "[ . 1 . 2 . 3]" 1
574 1 18 LEU H 1 58 LEU MD2 4.000 . 5.500 5.059 4.774 5.320 . 0 0 "[ . 1 . 2 . 3]" 1
575 1 25 LEU HB3 1 40 ALA H 4.000 . 5.000 4.284 3.762 4.958 . 0 0 "[ . 1 . 2 . 3]" 1
576 1 25 LEU MD2 1 42 ALA H 4.000 . 5.500 5.544 5.372 5.635 0.135 3 0 "[ . 1 . 2 . 3]" 1
577 1 29 SER H 1 39 LEU MD1 4.000 . 5.500 4.946 4.245 5.453 . 0 0 "[ . 1 . 2 . 3]" 1
578 1 55 ALA MB 1 61 LYS H 4.000 . 5.500 3.988 3.689 4.291 . 0 0 "[ . 1 . 2 . 3]" 1
579 1 15 ILE HG13 1 25 LEU H 4.000 . 5.000 5.011 3.771 5.210 0.210 2 0 "[ . 1 . 2 . 3]" 1
580 1 42 ALA MB 1 51 GLU H 4.000 . 5.500 4.046 3.324 4.543 . 0 0 "[ . 1 . 2 . 3]" 1
581 1 51 GLU H 1 62 PRO HB3 4.000 . 6.000 5.184 4.950 5.443 . 0 0 "[ . 1 . 2 . 3]" 1
582 1 3 ASN HA 1 3 ASN HB3 3.000 . 3.300 2.628 2.349 3.036 . 0 0 "[ . 1 . 2 . 3]" 1
583 1 5 LYS HA 1 5 LYS HB2 3.000 . 3.300 2.797 2.349 3.037 . 0 0 "[ . 1 . 2 . 3]" 1
584 1 7 ARG HA 1 7 ARG QG 3.000 . 3.300 2.771 2.231 3.217 . 0 0 "[ . 1 . 2 . 3]" 1
585 1 7 ARG HB3 1 7 ARG QG 2.500 . 2.700 2.324 2.176 2.512 . 0 0 "[ . 1 . 2 . 3]" 1
586 1 9 TRP HB2 1 9 TRP HE3 4.000 . 5.000 3.672 3.635 3.737 . 0 0 "[ . 1 . 2 . 3]" 1
587 1 10 HIS HB3 1 10 HIS HD2 4.000 . 5.000 3.273 2.759 4.003 . 0 0 "[ . 1 . 2 . 3]" 1
588 1 13 ASP HA 1 13 ASP HB3 3.000 . 3.300 2.556 2.503 2.604 . 0 0 "[ . 1 . 2 . 3]" 1
589 1 15 ILE HB 1 15 ILE MD 3.000 . 3.800 2.387 2.207 3.203 . 0 0 "[ . 1 . 2 . 3]" 1
590 1 15 ILE HA 1 15 ILE MG 3.000 . 3.800 2.309 2.218 2.423 . 0 0 "[ . 1 . 2 . 3]" 1
591 1 15 ILE HA 1 15 ILE MD 4.000 . 5.500 3.524 2.178 3.939 . 0 0 "[ . 1 . 2 . 3]" 1
592 1 15 ILE HG13 1 15 ILE MG 3.000 . 3.800 2.962 2.172 3.200 . 0 0 "[ . 1 . 2 . 3]" 1
593 1 15 ILE HA 1 15 ILE HG13 4.000 . 5.000 3.006 2.434 3.787 . 0 0 "[ . 1 . 2 . 3]" 1
594 1 18 LEU HB3 1 18 LEU MD1 3.000 . 3.800 2.582 2.512 2.651 . 0 0 "[ . 1 . 2 . 3]" 1
595 1 18 LEU HB2 1 18 LEU MD2 3.000 . 3.800 3.184 3.172 3.213 . 0 0 "[ . 1 . 2 . 3]" 1
596 1 18 LEU HA 1 18 LEU HG 4.000 . 5.000 2.632 2.539 2.790 . 0 0 "[ . 1 . 2 . 3]" 1
597 1 18 LEU HB2 1 18 LEU MD1 3.000 . 3.800 2.209 2.179 2.239 . 0 0 "[ . 1 . 2 . 3]" 1
598 1 19 LYS HA 1 19 LYS HG3 4.000 . 5.000 2.458 2.312 3.120 . 0 0 "[ . 1 . 2 . 3]" 1
599 1 19 LYS QB 1 19 LYS QD 3.000 . 3.300 2.184 2.100 2.320 . 0 0 "[ . 1 . 2 . 3]" 1
600 1 19 LYS QB 1 19 LYS QE 4.000 . 5.000 2.819 2.022 3.689 . 0 0 "[ . 1 . 2 . 3]" 1
601 1 20 LYS HA 1 20 LYS QG 3.000 . 3.300 2.427 2.248 3.277 . 0 0 "[ . 1 . 2 . 3]" 1
602 1 21 ARG HB3 1 21 ARG HD3 4.000 . 5.000 3.054 2.519 3.798 . 0 0 "[ . 1 . 2 . 3]" 1
603 1 21 ARG HA 1 21 ARG QG 3.000 . 3.300 2.326 2.244 2.416 . 0 0 "[ . 1 . 2 . 3]" 1
604 1 21 ARG HA 1 21 ARG HB2 3.000 . 3.300 3.038 3.029 3.049 . 0 0 "[ . 1 . 2 . 3]" 1
605 1 21 ARG HB2 1 21 ARG HD2 4.000 . 5.000 3.102 2.297 3.806 . 0 0 "[ . 1 . 2 . 3]" 1
606 1 21 ARG HB3 1 21 ARG HD2 4.000 . 5.000 3.492 2.748 3.809 . 0 0 "[ . 1 . 2 . 3]" 1
607 1 22 LYS HA 1 22 LYS HB3 3.000 . 3.300 2.575 2.318 2.980 . 0 0 "[ . 1 . 2 . 3]" 1
608 1 22 LYS HA 1 22 LYS QG 3.000 . 3.300 2.581 2.192 3.362 0.062 26 0 "[ . 1 . 2 . 3]" 1
609 1 22 LYS HA 1 22 LYS QD 4.000 . 5.000 3.808 2.293 4.534 . 0 0 "[ . 1 . 2 . 3]" 1
610 1 23 LEU HA 1 23 LEU MD2 3.000 . 3.800 2.163 2.089 2.256 . 0 0 "[ . 1 . 2 . 3]" 1
611 1 23 LEU HB3 1 23 LEU MD1 3.000 . 3.800 2.351 2.251 2.487 . 0 0 "[ . 1 . 2 . 3]" 1
612 1 23 LEU HA 1 23 LEU MD1 4.000 . 5.500 3.834 3.771 3.915 . 0 0 "[ . 1 . 2 . 3]" 1
613 1 23 LEU HA 1 23 LEU HB3 3.000 . 3.300 2.472 2.407 2.611 . 0 0 "[ . 1 . 2 . 3]" 1
614 1 25 LEU HA 1 25 LEU HG 3.000 . 3.300 2.810 2.400 3.033 . 0 0 "[ . 1 . 2 . 3]" 1
615 1 25 LEU HA 1 25 LEU MD2 3.000 . 3.800 2.393 2.172 3.776 . 0 0 "[ . 1 . 2 . 3]" 1
616 1 25 LEU HA 1 25 LEU HB3 3.000 . 3.300 2.475 2.430 2.591 . 0 0 "[ . 1 . 2 . 3]" 1
617 1 25 LEU HB2 1 25 LEU MD1 3.000 . 3.800 2.249 2.207 2.378 . 0 0 "[ . 1 . 2 . 3]" 1
618 1 25 LEU HB3 1 25 LEU MD2 3.000 . 3.800 2.237 2.204 2.445 . 0 0 "[ . 1 . 2 . 3]" 1
619 1 25 LEU HB2 1 25 LEU MD2 3.000 . 3.800 3.108 2.258 3.209 . 0 0 "[ . 1 . 2 . 3]" 1
620 1 26 SER HA 1 26 SER QB 2.500 . 2.700 2.289 2.190 2.426 . 0 0 "[ . 1 . 2 . 3]" 1
621 1 28 LEU HB3 1 28 LEU QD 3.000 . 3.800 2.250 2.070 2.367 . 0 0 "[ . 1 . 2 . 3]" 1
622 1 28 LEU HA 1 28 LEU HB3 3.000 . 3.300 2.532 2.282 2.667 . 0 0 "[ . 1 . 2 . 3]" 1
623 1 28 LEU HA 1 28 LEU HB2 3.000 . 3.300 3.000 2.673 3.030 . 0 0 "[ . 1 . 2 . 3]" 1
624 1 28 LEU HA 1 28 LEU QD 3.000 . 3.800 2.338 1.991 3.266 . 0 0 "[ . 1 . 2 . 3]" 1
625 1 28 LEU HB2 1 28 LEU QD 3.000 . 3.300 2.159 2.075 2.291 . 0 0 "[ . 1 . 2 . 3]" 1
626 1 31 GLN HA 1 31 GLN HG2 3.000 . 3.300 2.421 2.296 2.592 . 0 0 "[ . 1 . 2 . 3]" 1
627 1 31 GLN HA 1 31 GLN HG3 4.000 . 5.000 2.766 2.508 3.627 . 0 0 "[ . 1 . 2 . 3]" 1
628 1 32 PHE HA 1 32 PHE QD 4.000 . 5.000 2.940 2.820 3.037 . 0 0 "[ . 1 . 2 . 3]" 1
629 1 34 TYR HA 1 34 TYR HE2 4.000 . 6.000 6.078 5.713 6.182 0.182 18 0 "[ . 1 . 2 . 3]" 1
630 1 34 TYR HA 1 34 TYR QD 4.000 . 5.000 2.286 2.236 2.347 . 0 0 "[ . 1 . 2 . 3]" 1
631 1 36 PRO HA 1 36 PRO HD3 4.000 . 5.000 3.591 3.540 3.670 . 0 0 "[ . 1 . 2 . 3]" 1
632 1 37 THR HA 1 37 THR MG 2.500 . 3.200 2.382 2.258 2.491 . 0 0 "[ . 1 . 2 . 3]" 1
633 1 37 THR HA 1 37 THR HB 3.000 . 3.300 2.451 2.361 2.564 . 0 0 "[ . 1 . 2 . 3]" 1
634 1 39 LEU HA 1 39 LEU HG 4.000 . 5.000 3.291 2.765 3.636 . 0 0 "[ . 1 . 2 . 3]" 1
635 1 39 LEU HB3 1 39 LEU MD1 3.000 . 3.800 2.802 2.256 3.226 . 0 0 "[ . 1 . 2 . 3]" 1
636 1 39 LEU HA 1 39 LEU MD1 3.000 . 3.800 2.131 2.072 2.216 . 0 0 "[ . 1 . 2 . 3]" 1
637 1 43 LEU HB3 1 43 LEU MD1 3.000 . 3.800 2.539 2.404 2.636 . 0 0 "[ . 1 . 2 . 3]" 1
638 1 43 LEU HB2 1 43 LEU HG 3.000 . 3.300 2.595 2.508 2.672 . 0 0 "[ . 1 . 2 . 3]" 1
639 1 43 LEU HB2 1 43 LEU MD1 3.000 . 3.800 2.246 2.214 2.312 . 0 0 "[ . 1 . 2 . 3]" 1
640 1 43 LEU HB2 1 43 LEU MD2 3.000 . 3.800 3.190 3.168 3.209 . 0 0 "[ . 1 . 2 . 3]" 1
641 1 43 LEU HB3 1 43 LEU MD2 3.000 . 3.800 2.230 2.207 2.297 . 0 0 "[ . 1 . 2 . 3]" 1
642 1 43 LEU HB3 1 43 LEU HG 3.000 . 3.300 3.025 3.015 3.035 . 0 0 "[ . 1 . 2 . 3]" 1
643 1 44 GLU HA 1 44 GLU QG 3.000 . 3.300 2.847 2.249 3.418 0.118 21 0 "[ . 1 . 2 . 3]" 1
644 1 45 ARG HA 1 45 ARG HB3 3.000 . 3.300 2.859 2.456 3.035 . 0 0 "[ . 1 . 2 . 3]" 1
645 1 45 ARG HA 1 45 ARG QD 4.000 . 5.000 3.511 2.218 4.478 . 0 0 "[ . 1 . 2 . 3]" 1
646 1 45 ARG HA 1 45 ARG HB2 3.000 . 3.300 2.629 2.276 3.031 . 0 0 "[ . 1 . 2 . 3]" 1
647 1 45 ARG HB3 1 45 ARG HG3 3.000 . 3.300 2.861 2.429 3.038 . 0 0 "[ . 1 . 2 . 3]" 1
648 1 45 ARG HB3 1 45 ARG HG2 3.000 . 3.300 2.467 2.292 3.033 . 0 0 "[ . 1 . 2 . 3]" 1
649 1 45 ARG HA 1 45 ARG HG2 4.000 . 5.000 3.218 2.314 3.737 . 0 0 "[ . 1 . 2 . 3]" 1
650 1 46 HIS HB3 1 46 HIS HD2 4.000 . 5.000 3.298 2.733 3.997 . 0 0 "[ . 1 . 2 . 3]" 1
651 1 47 TRP HA 1 47 TRP HD1 3.000 . 3.300 2.293 2.240 2.330 . 0 0 "[ . 1 . 2 . 3]" 1
652 1 48 PRO HA 1 48 PRO HG2 4.000 . 5.000 4.076 4.057 4.094 . 0 0 "[ . 1 . 2 . 3]" 1
653 1 49 LYS HA 1 49 LYS QD 3.000 . 3.300 2.632 2.104 3.449 0.149 9 0 "[ . 1 . 2 . 3]" 1
654 1 49 LYS HA 1 49 LYS HG3 3.000 . 3.300 2.789 2.314 3.455 0.155 6 0 "[ . 1 . 2 . 3]" 1
655 1 49 LYS HE3 1 49 LYS HG3 4.000 . 5.000 3.366 2.303 4.234 . 0 0 "[ . 1 . 2 . 3]" 1
656 1 49 LYS HB2 1 49 LYS HG3 3.000 . 3.300 2.928 2.299 3.043 . 0 0 "[ . 1 . 2 . 3]" 1
657 1 49 LYS HE3 1 49 LYS HG2 4.000 . 5.000 3.368 2.487 4.240 . 0 0 "[ . 1 . 2 . 3]" 1
658 1 49 LYS HB2 1 49 LYS HG2 3.000 . 3.300 2.658 2.435 2.983 . 0 0 "[ . 1 . 2 . 3]" 1
659 1 49 LYS HA 1 49 LYS HG2 4.000 . 5.000 3.551 2.235 3.919 . 0 0 "[ . 1 . 2 . 3]" 1
660 1 49 LYS HB3 1 49 LYS HG2 3.000 . 3.300 2.422 2.277 3.009 . 0 0 "[ . 1 . 2 . 3]" 1
661 1 49 LYS HB3 1 49 LYS HG3 3.000 . 3.300 2.655 2.444 2.983 . 0 0 "[ . 1 . 2 . 3]" 1
662 1 49 LYS HA 1 49 LYS HB2 3.000 . 3.300 2.531 2.363 2.617 . 0 0 "[ . 1 . 2 . 3]" 1
663 1 52 GLN HA 1 52 GLN HG3 4.000 . 5.000 3.367 2.347 3.820 . 0 0 "[ . 1 . 2 . 3]" 1
664 1 53 ILE HB 1 53 ILE MD 3.000 . 3.800 2.265 2.210 2.363 . 0 0 "[ . 1 . 2 . 3]" 1
665 1 53 ILE MD 1 53 ILE MG 3.000 . 3.800 2.085 1.981 2.156 . 0 0 "[ . 1 . 2 . 3]" 1
666 1 53 ILE HA 1 53 ILE MD 3.000 . 3.800 3.843 3.801 3.889 0.089 9 0 "[ . 1 . 2 . 3]" 1
667 1 53 ILE HA 1 53 ILE MG 3.000 . 3.800 2.403 2.332 2.457 . 0 0 "[ . 1 . 2 . 3]" 1
668 1 53 ILE HA 1 53 ILE HG13 4.000 . 5.000 2.937 2.750 3.191 . 0 0 "[ . 1 . 2 . 3]" 1
669 1 54 ILE MD 1 54 ILE MG 3.000 . 3.800 2.112 2.074 2.189 . 0 0 "[ . 1 . 2 . 3]" 1
670 1 54 ILE HB 1 54 ILE MD 3.000 . 3.800 2.243 2.207 2.291 . 0 0 "[ . 1 . 2 . 3]" 1
671 1 54 ILE HA 1 54 ILE MG 3.000 . 3.800 2.398 2.324 2.462 . 0 0 "[ . 1 . 2 . 3]" 1
672 1 54 ILE HA 1 54 ILE MD 4.000 . 5.500 3.826 3.788 3.862 . 0 0 "[ . 1 . 2 . 3]" 1
673 1 54 ILE HA 1 54 ILE HG12 4.000 . 5.000 2.523 2.436 2.680 . 0 0 "[ . 1 . 2 . 3]" 1
674 1 54 ILE HA 1 54 ILE HG13 4.000 . 5.000 2.769 2.643 2.858 . 0 0 "[ . 1 . 2 . 3]" 1
675 1 56 ASN HA 1 56 ASN HB3 3.000 . 3.300 2.914 2.549 3.037 . 0 0 "[ . 1 . 2 . 3]" 1
676 1 56 ASN HA 1 56 ASN HB2 3.000 . 3.300 2.605 2.383 3.025 . 0 0 "[ . 1 . 2 . 3]" 1
677 1 58 LEU HA 1 58 LEU HB3 3.000 . 3.300 2.548 2.471 2.711 . 0 0 "[ . 1 . 2 . 3]" 1
678 1 58 LEU HA 1 58 LEU MD1 4.000 . 5.500 3.836 3.769 3.878 . 0 0 "[ . 1 . 2 . 3]" 1
679 1 58 LEU HA 1 58 LEU HG 4.000 . 5.000 2.784 2.458 3.046 . 0 0 "[ . 1 . 2 . 3]" 1
680 1 59 GLU HA 1 59 GLU HG3 3.000 . 3.300 3.006 2.325 3.631 0.331 15 0 "[ . 1 . 2 . 3]" 1
681 1 59 GLU QB 1 59 GLU HG3 2.500 . 2.700 2.322 2.185 2.496 . 0 0 "[ . 1 . 2 . 3]" 1
682 1 59 GLU QB 1 59 GLU HG2 2.500 . 2.700 2.365 2.178 2.458 . 0 0 "[ . 1 . 2 . 3]" 1
683 1 59 GLU HA 1 59 GLU HG2 3.000 . 3.300 2.731 2.301 3.585 0.285 27 0 "[ . 1 . 2 . 3]" 1
684 1 60 THR HA 1 60 THR MG 3.000 . 3.800 3.202 3.195 3.209 . 0 0 "[ . 1 . 2 . 3]" 1
685 1 60 THR HA 1 60 THR HB 3.000 . 3.300 2.575 2.549 2.599 . 0 0 "[ . 1 . 2 . 3]" 1
686 1 61 LYS HA 1 61 LYS HG3 4.000 . 5.000 2.747 2.401 3.326 . 0 0 "[ . 1 . 2 . 3]" 1
687 1 61 LYS HB3 1 61 LYS HG3 3.000 . 3.300 2.843 2.560 3.037 . 0 0 "[ . 1 . 2 . 3]" 1
688 1 61 LYS HB2 1 61 LYS QD 3.000 . 3.300 2.359 2.224 2.623 . 0 0 "[ . 1 . 2 . 3]" 1
689 1 61 LYS QD 1 61 LYS HG2 2.500 . 2.700 2.326 2.189 2.563 . 0 0 "[ . 1 . 2 . 3]" 1
690 1 61 LYS HA 1 61 LYS QD 4.000 . 5.000 3.882 3.458 4.197 . 0 0 "[ . 1 . 2 . 3]" 1
691 1 61 LYS HA 1 61 LYS HB3 3.000 . 3.300 2.410 2.358 2.491 . 0 0 "[ . 1 . 2 . 3]" 1
692 1 62 PRO HD2 1 62 PRO HG3 3.000 . 3.300 2.844 2.823 2.872 . 0 0 "[ . 1 . 2 . 3]" 1
693 1 62 PRO HD2 1 62 PRO HG2 3.000 . 3.300 2.301 2.296 2.305 . 0 0 "[ . 1 . 2 . 3]" 1
694 1 62 PRO HB2 1 62 PRO HD3 4.000 . 5.000 4.082 4.070 4.092 . 0 0 "[ . 1 . 2 . 3]" 1
695 1 62 PRO HD3 1 62 PRO HG2 3.000 . 3.300 2.941 2.914 2.955 . 0 0 "[ . 1 . 2 . 3]" 1
696 1 63 GLU HA 1 63 GLU HG2 4.000 . 5.000 3.178 2.514 4.262 . 0 0 "[ . 1 . 2 . 3]" 1
697 1 63 GLU HA 1 63 GLU HG3 4.000 . 5.000 3.351 2.325 3.814 . 0 0 "[ . 1 . 2 . 3]" 1
698 1 64 VAL HA 1 64 VAL MG2 3.000 . 3.800 2.392 2.284 2.480 . 0 0 "[ . 1 . 2 . 3]" 1
699 1 64 VAL HA 1 64 VAL MG1 3.000 . 3.800 2.297 2.249 2.368 . 0 0 "[ . 1 . 2 . 3]" 1
700 1 65 ILE MD 1 65 ILE MG 3.000 . 3.800 2.549 2.185 3.146 . 0 0 "[ . 1 . 2 . 3]" 1
701 1 65 ILE HB 1 65 ILE MD 3.000 . 3.800 2.216 2.184 2.257 . 0 0 "[ . 1 . 2 . 3]" 1
702 1 65 ILE HA 1 65 ILE MD 4.000 . 5.500 3.698 3.280 3.886 . 0 0 "[ . 1 . 2 . 3]" 1
703 1 65 ILE HA 1 65 ILE MG 3.000 . 3.800 2.347 2.283 2.409 . 0 0 "[ . 1 . 2 . 3]" 1
704 1 65 ILE HA 1 65 ILE HG13 4.000 . 5.000 2.587 2.311 2.803 . 0 0 "[ . 1 . 2 . 3]" 1
705 1 65 ILE HA 1 65 ILE HG12 4.000 . 5.000 3.036 2.675 3.546 . 0 0 "[ . 1 . 2 . 3]" 1
706 1 66 TRP HA 1 66 TRP HD1 4.000 . 5.000 2.838 2.754 2.939 . 0 0 "[ . 1 . 2 . 3]" 1
707 1 67 PRO HB2 1 67 PRO HG3 3.000 . 3.300 2.838 2.782 2.878 . 0 0 "[ . 1 . 2 . 3]" 1
708 1 67 PRO HB3 1 67 PRO HD3 4.000 . 5.000 3.527 3.378 3.659 . 0 0 "[ . 1 . 2 . 3]" 1
709 1 67 PRO HB2 1 67 PRO HD3 4.000 . 5.000 4.115 4.095 4.132 . 0 0 "[ . 1 . 2 . 3]" 1
710 1 69 ARG HB2 1 69 ARG HG3 3.000 . 3.300 2.400 2.330 2.550 . 0 0 "[ . 1 . 2 . 3]" 1
711 1 69 ARG HA 1 69 ARG HG3 4.000 . 5.000 3.381 2.774 3.801 . 0 0 "[ . 1 . 2 . 3]" 1
712 1 70 TYR HA 1 70 TYR HB2 3.000 . 3.300 3.030 3.022 3.040 . 0 0 "[ . 1 . 2 . 3]" 1
713 1 70 TYR HA 1 70 TYR HD2 4.000 . 5.000 4.068 3.594 4.370 . 0 0 "[ . 1 . 2 . 3]" 1
714 1 70 TYR HB3 1 70 TYR HD2 3.000 . 3.300 3.345 2.320 3.606 0.306 8 0 "[ . 1 . 2 . 3]" 1
715 1 70 TYR HB2 1 70 TYR HD2 3.000 . 3.300 2.526 2.324 3.492 0.192 22 0 "[ . 1 . 2 . 3]" 1
716 1 71 GLN HA 1 71 GLN QG 3.000 . 3.300 2.663 2.222 3.449 0.149 21 0 "[ . 1 . 2 . 3]" 1
717 1 74 GLU HB2 1 74 GLU QG 2.500 . 2.700 2.348 2.191 2.453 . 0 0 "[ . 1 . 2 . 3]" 1
718 1 4 GLU HB3 1 4 GLU QG 2.500 . 2.700 2.328 2.189 2.463 . 0 0 "[ . 1 . 2 . 3]" 1
719 1 4 GLU HB2 1 4 GLU QG 2.500 . 2.700 2.353 2.196 2.472 . 0 0 "[ . 1 . 2 . 3]" 1
720 1 5 LYS HA 1 5 LYS QD 4.000 . 5.000 3.455 2.249 4.527 . 0 0 "[ . 1 . 2 . 3]" 1
721 1 9 TRP HA 1 9 TRP HD1 3.000 . 3.300 3.131 2.893 3.351 0.051 7 0 "[ . 1 . 2 . 3]" 1
722 1 9 TRP HA 1 9 TRP HB3 3.000 . 3.300 2.547 2.485 2.609 . 0 0 "[ . 1 . 2 . 3]" 1
723 1 10 HIS HA 1 10 HIS HB3 3.000 . 3.300 2.729 2.361 3.036 . 0 0 "[ . 1 . 2 . 3]" 1
724 1 11 ARG HA 1 11 ARG QD 4.000 . 5.000 3.950 2.811 4.521 . 0 0 "[ . 1 . 2 . 3]" 1
725 1 11 ARG HB3 1 11 ARG HG2 3.000 . 3.300 2.473 2.284 2.994 . 0 0 "[ . 1 . 2 . 3]" 1
726 1 11 ARG HA 1 11 ARG HG2 4.000 . 5.000 3.023 2.311 4.247 . 0 0 "[ . 1 . 2 . 3]" 1
727 1 11 ARG HB2 1 11 ARG QD 3.000 . 3.300 2.526 2.206 3.213 . 0 0 "[ . 1 . 2 . 3]" 1
728 1 14 VAL HA 1 14 VAL MG2 3.000 . 3.800 2.288 2.237 2.362 . 0 0 "[ . 1 . 2 . 3]" 1
729 1 15 ILE HA 1 15 ILE HG12 4.000 . 5.000 2.957 2.554 3.834 . 0 0 "[ . 1 . 2 . 3]" 1
730 1 15 ILE HB 1 15 ILE HG12 3.000 . 3.300 2.872 2.294 3.043 . 0 0 "[ . 1 . 2 . 3]" 1
731 1 18 LEU MD1 1 18 LEU MD2 2.500 . 3.200 2.056 2.038 2.079 . 0 0 "[ . 1 . 2 . 3]" 1
732 1 19 LYS QD 1 19 LYS HG2 2.500 . 2.700 2.322 2.188 2.504 . 0 0 "[ . 1 . 2 . 3]" 1
733 1 20 LYS HA 1 20 LYS QD 4.000 . 5.000 3.520 2.264 4.512 . 0 0 "[ . 1 . 2 . 3]" 1
734 1 21 ARG HA 1 21 ARG HD3 4.000 . 5.000 4.562 4.431 4.817 . 0 0 "[ . 1 . 2 . 3]" 1
735 1 21 ARG HB2 1 21 ARG HD3 4.000 . 5.000 2.736 2.336 3.796 . 0 0 "[ . 1 . 2 . 3]" 1
736 1 23 LEU MD1 1 23 LEU MD2 2.500 . 3.200 2.065 2.046 2.086 . 0 0 "[ . 1 . 2 . 3]" 1
737 1 24 SER HA 1 24 SER HB3 3.000 . 3.300 2.408 2.358 2.522 . 0 0 "[ . 1 . 2 . 3]" 1
738 1 24 SER HA 1 24 SER HB2 3.000 . 3.300 2.546 2.425 2.612 . 0 0 "[ . 1 . 2 . 3]" 1
739 1 25 LEU MD1 1 25 LEU MD2 2.500 . 3.200 2.068 2.056 2.087 . 0 0 "[ . 1 . 2 . 3]" 1
740 1 25 LEU HB3 1 25 LEU MD1 3.000 . 3.800 2.609 2.350 3.217 . 0 0 "[ . 1 . 2 . 3]" 1
741 1 25 LEU HB2 1 25 LEU HG 3.000 . 3.300 2.650 2.514 3.034 . 0 0 "[ . 1 . 2 . 3]" 1
742 1 28 LEU HB2 1 28 LEU HG 3.000 . 3.300 2.819 2.418 3.032 . 0 0 "[ . 1 . 2 . 3]" 1
743 1 28 LEU HB3 1 28 LEU HG 3.000 . 3.300 2.604 2.389 3.034 . 0 0 "[ . 1 . 2 . 3]" 1
744 1 28 LEU HA 1 28 LEU HG 4.000 . 5.000 2.856 2.374 3.697 . 0 0 "[ . 1 . 2 . 3]" 1
745 1 30 ARG HA 1 30 ARG QD 4.000 . 5.000 4.150 2.232 4.544 . 0 0 "[ . 1 . 2 . 3]" 1
746 1 30 ARG HA 1 30 ARG HG3 4.000 . 5.000 3.519 2.617 3.799 . 0 0 "[ . 1 . 2 . 3]" 1
747 1 30 ARG HA 1 30 ARG HG2 4.000 . 5.000 3.557 2.565 4.227 . 0 0 "[ . 1 . 2 . 3]" 1
748 1 30 ARG QB 1 30 ARG HG2 2.500 . 2.700 2.353 2.182 2.542 . 0 0 "[ . 1 . 2 . 3]" 1
749 1 30 ARG QB 1 30 ARG HG3 2.500 . 2.700 2.375 2.184 2.540 . 0 0 "[ . 1 . 2 . 3]" 1
750 1 31 GLN HA 1 31 GLN HB2 3.000 . 3.300 3.004 2.982 3.032 . 0 0 "[ . 1 . 2 . 3]" 1
751 1 31 GLN HB2 1 31 GLN HG2 3.000 . 3.300 3.021 2.778 3.039 . 0 0 "[ . 1 . 2 . 3]" 1
752 1 31 GLN HB2 1 31 GLN HG3 3.000 . 3.300 2.490 2.296 2.593 . 0 0 "[ . 1 . 2 . 3]" 1
753 1 32 PHE HA 1 32 PHE HB3 3.000 . 3.300 2.571 2.504 2.615 . 0 0 "[ . 1 . 2 . 3]" 1
754 1 34 TYR HA 1 34 TYR HB3 3.000 . 3.300 2.411 2.357 2.618 . 0 0 "[ . 1 . 2 . 3]" 1
755 1 36 PRO HA 1 36 PRO HB3 3.000 . 3.300 2.289 2.284 2.295 . 0 0 "[ . 1 . 2 . 3]" 1
756 1 36 PRO HA 1 36 PRO HG3 4.000 . 5.000 3.776 3.605 3.863 . 0 0 "[ . 1 . 2 . 3]" 1
757 1 36 PRO HA 1 36 PRO HG2 4.000 . 5.000 4.071 4.055 4.081 . 0 0 "[ . 1 . 2 . 3]" 1
758 1 38 THR HA 1 38 THR MG 2.500 . 3.200 2.457 2.410 2.556 . 0 0 "[ . 1 . 2 . 3]" 1
759 1 39 LEU HA 1 39 LEU HB2 3.000 . 3.300 2.708 2.489 2.984 . 0 0 "[ . 1 . 2 . 3]" 1
760 1 41 ASN HA 1 41 ASN HB3 3.000 . 3.300 2.744 2.400 3.037 . 0 0 "[ . 1 . 2 . 3]" 1
761 1 43 LEU HA 1 43 LEU MD2 3.000 . 3.800 2.235 2.175 2.284 . 0 0 "[ . 1 . 2 . 3]" 1
762 1 43 LEU HA 1 43 LEU MD1 4.000 . 5.500 3.862 3.801 3.934 . 0 0 "[ . 1 . 2 . 3]" 1
763 1 43 LEU HA 1 43 LEU HG 4.000 . 5.000 2.817 2.533 3.154 . 0 0 "[ . 1 . 2 . 3]" 1
764 1 45 ARG HB2 1 45 ARG HG2 3.000 . 3.300 2.864 2.437 3.038 . 0 0 "[ . 1 . 2 . 3]" 1
765 1 47 TRP HB2 1 47 TRP HE3 4.000 . 5.000 3.738 3.671 3.790 . 0 0 "[ . 1 . 2 . 3]" 1
766 1 47 TRP HB3 1 47 TRP HE3 4.000 . 5.000 2.483 2.449 2.511 . 0 0 "[ . 1 . 2 . 3]" 1
767 1 47 TRP HA 1 47 TRP HB3 3.000 . 3.300 3.037 3.027 3.043 . 0 0 "[ . 1 . 2 . 3]" 1
768 1 48 PRO HB3 1 48 PRO HG2 3.000 . 3.300 2.834 2.815 2.861 . 0 0 "[ . 1 . 2 . 3]" 1
769 1 48 PRO HA 1 48 PRO HG3 4.000 . 5.000 3.485 3.409 3.579 . 0 0 "[ . 1 . 2 . 3]" 1
770 1 48 PRO HB3 1 48 PRO HD2 4.000 . 5.000 4.078 4.068 4.087 . 0 0 "[ . 1 . 2 . 3]" 1
771 1 52 GLN HB2 1 52 GLN HG2 3.000 . 3.300 2.756 2.481 3.037 . 0 0 "[ . 1 . 2 . 3]" 1
772 1 52 GLN HB3 1 52 GLN HG3 3.000 . 3.300 2.754 2.491 3.034 . 0 0 "[ . 1 . 2 . 3]" 1
773 1 52 GLN HB2 1 52 GLN HG3 3.000 . 3.300 2.456 2.331 3.033 . 0 0 "[ . 1 . 2 . 3]" 1
774 1 53 ILE HA 1 53 ILE HG12 4.000 . 5.000 2.550 2.467 2.677 . 0 0 "[ . 1 . 2 . 3]" 1
775 1 58 LEU HB3 1 58 LEU MD2 3.000 . 3.800 2.228 2.203 2.274 . 0 0 "[ . 1 . 2 . 3]" 1
776 1 58 LEU HB2 1 58 LEU MD2 3.000 . 3.800 3.198 3.175 3.219 . 0 0 "[ . 1 . 2 . 3]" 1
777 1 58 LEU HA 1 58 LEU MD2 3.000 . 3.800 2.209 2.128 2.263 . 0 0 "[ . 1 . 2 . 3]" 1
778 1 62 PRO HA 1 62 PRO HG2 4.000 . 5.000 4.067 4.043 4.083 . 0 0 "[ . 1 . 2 . 3]" 1
779 1 62 PRO HA 1 62 PRO HG3 4.000 . 5.000 3.813 3.720 3.879 . 0 0 "[ . 1 . 2 . 3]" 1
780 1 62 PRO HB2 1 62 PRO HG3 3.000 . 3.300 2.848 2.817 2.881 . 0 0 "[ . 1 . 2 . 3]" 1
781 1 62 PRO HB2 1 62 PRO HD2 4.000 . 5.000 3.857 3.761 3.920 . 0 0 "[ . 1 . 2 . 3]" 1
782 1 62 PRO HA 1 62 PRO HB3 3.000 . 3.300 2.291 2.284 2.298 . 0 0 "[ . 1 . 2 . 3]" 1
783 1 63 GLU HB2 1 63 GLU HG2 3.000 . 3.300 2.895 2.409 3.035 . 0 0 "[ . 1 . 2 . 3]" 1
784 1 63 GLU HB3 1 63 GLU HG2 3.000 . 3.300 2.516 2.300 3.035 . 0 0 "[ . 1 . 2 . 3]" 1
785 1 63 GLU HA 1 63 GLU HB2 3.000 . 3.300 2.840 2.332 3.040 . 0 0 "[ . 1 . 2 . 3]" 1
786 1 63 GLU HB3 1 63 GLU HG3 3.000 . 3.300 2.894 2.409 3.033 . 0 0 "[ . 1 . 2 . 3]" 1
787 1 63 GLU HB2 1 63 GLU HG3 3.000 . 3.300 2.566 2.338 3.032 . 0 0 "[ . 1 . 2 . 3]" 1
788 1 63 GLU HA 1 63 GLU HB3 3.000 . 3.300 2.439 2.345 2.630 . 0 0 "[ . 1 . 2 . 3]" 1
789 1 67 PRO HD2 1 67 PRO HG3 3.000 . 3.300 2.870 2.833 2.902 . 0 0 "[ . 1 . 2 . 3]" 1
790 1 67 PRO HD3 1 67 PRO HG3 3.000 . 3.300 2.290 2.283 2.308 . 0 0 "[ . 1 . 2 . 3]" 1
791 1 67 PRO HA 1 67 PRO HG3 4.000 . 5.000 3.893 3.809 4.015 . 0 0 "[ . 1 . 2 . 3]" 1
792 1 67 PRO HA 1 67 PRO HB3 3.000 . 3.300 2.299 2.287 2.322 . 0 0 "[ . 1 . 2 . 3]" 1
793 1 71 GLN HB2 1 71 GLN QG 2.500 . 2.700 2.354 2.190 2.460 . 0 0 "[ . 1 . 2 . 3]" 1
794 1 6 ALA H 1 6 ALA MB 2.500 . 3.400 2.696 2.215 3.024 . 0 0 "[ . 1 . 2 . 3]" 1
795 1 7 ARG H 1 7 ARG QG 4.000 . 5.000 2.638 1.960 3.841 . 0 0 "[ . 1 . 2 . 3]" 1
796 1 8 ASP H 1 8 ASP HB2 3.000 . 3.500 2.656 2.365 3.079 . 0 0 "[ . 1 . 2 . 3]" 1
797 1 8 ASP H 1 8 ASP HB3 4.000 . 5.000 3.628 3.572 4.013 . 0 0 "[ . 1 . 2 . 3]" 1
798 1 9 TRP H 1 9 TRP HD1 3.000 . 3.500 1.959 1.767 2.261 0.033 10 0 "[ . 1 . 2 . 3]" 1
799 1 13 ASP H 1 13 ASP HB2 3.000 . 3.500 2.367 2.316 2.455 . 0 0 "[ . 1 . 2 . 3]" 1
800 1 14 VAL H 1 14 VAL HB 2.500 . 2.900 2.365 2.312 2.464 . 0 0 "[ . 1 . 2 . 3]" 1
801 1 14 VAL H 1 14 VAL MG2 2.500 . 3.400 2.406 2.255 2.579 . 0 0 "[ . 1 . 2 . 3]" 1
802 1 14 VAL H 1 14 VAL HA 3.000 . 3.500 2.920 2.910 2.936 . 0 0 "[ . 1 . 2 . 3]" 1
803 1 15 ILE H 1 15 ILE MG 4.000 . 5.500 3.784 3.762 3.805 . 0 0 "[ . 1 . 2 . 3]" 1
804 1 15 ILE H 1 15 ILE HG12 3.000 . 3.500 3.338 2.290 3.733 0.233 20 0 "[ . 1 . 2 . 3]" 1
805 1 15 ILE H 1 15 ILE HB 3.000 . 3.500 2.623 2.436 2.962 . 0 0 "[ . 1 . 2 . 3]" 1
806 1 16 ALA H 1 16 ALA MB 2.500 . 3.400 2.232 2.185 2.269 . 0 0 "[ . 1 . 2 . 3]" 1
807 1 17 GLY H 1 17 GLY HA3 2.500 . 2.900 2.336 2.326 2.349 . 0 0 "[ . 1 . 2 . 3]" 1
808 1 18 LEU H 1 18 LEU HB3 4.000 . 5.000 3.578 3.545 3.612 . 0 0 "[ . 1 . 2 . 3]" 1
809 1 18 LEU H 1 18 LEU MD1 4.000 . 5.500 3.313 3.191 3.471 . 0 0 "[ . 1 . 2 . 3]" 1
810 1 18 LEU H 1 18 LEU HB2 4.000 . 5.000 2.326 2.239 2.478 . 0 0 "[ . 1 . 2 . 3]" 1
811 1 19 LYS H 1 19 LYS HG2 4.000 . 5.000 4.435 3.513 4.579 . 0 0 "[ . 1 . 2 . 3]" 1
812 1 19 LYS H 1 19 LYS HA 3.000 . 3.500 2.830 2.802 2.868 . 0 0 "[ . 1 . 2 . 3]" 1
813 1 19 LYS H 1 19 LYS QB 2.500 . 2.900 2.226 2.136 2.304 . 0 0 "[ . 1 . 2 . 3]" 1
814 1 21 ARG H 1 21 ARG QG 4.000 . 5.000 2.877 2.496 3.523 . 0 0 "[ . 1 . 2 . 3]" 1
815 1 21 ARG H 1 21 ARG HB2 4.000 . 5.000 2.358 2.297 2.520 . 0 0 "[ . 1 . 2 . 3]" 1
816 1 21 ARG H 1 21 ARG HB3 3.000 . 3.500 3.613 3.580 3.663 0.163 19 0 "[ . 1 . 2 . 3]" 1
817 1 22 LYS H 1 22 LYS QG 4.000 . 5.000 3.244 2.296 4.289 . 0 0 "[ . 1 . 2 . 3]" 1
818 1 22 LYS H 1 22 LYS HA 2.500 . 2.900 2.920 2.912 2.928 0.028 13 0 "[ . 1 . 2 . 3]" 1
819 1 23 LEU H 1 23 LEU HB3 4.000 . 5.000 3.810 3.761 3.885 . 0 0 "[ . 1 . 2 . 3]" 1
820 1 23 LEU H 1 23 LEU HA 3.000 . 3.500 3.007 2.994 3.016 . 0 0 "[ . 1 . 2 . 3]" 1
821 1 23 LEU H 1 23 LEU HB2 4.000 . 5.000 2.665 2.589 2.785 . 0 0 "[ . 1 . 2 . 3]" 1
822 1 24 SER H 1 24 SER HB2 4.000 . 5.000 3.890 3.834 3.976 . 0 0 "[ . 1 . 2 . 3]" 1
823 1 27 ALA H 1 27 ALA HA 3.000 . 3.500 2.900 2.830 2.942 . 0 0 "[ . 1 . 2 . 3]" 1
824 1 27 ALA H 1 27 ALA MB 2.500 . 3.400 2.245 2.194 2.287 . 0 0 "[ . 1 . 2 . 3]" 1
825 1 28 LEU H 1 28 LEU QD 4.000 . 5.500 1.953 1.734 3.065 0.066 7 0 "[ . 1 . 2 . 3]" 1
826 1 28 LEU H 1 28 LEU HA 3.000 . 3.500 2.851 2.841 2.859 . 0 0 "[ . 1 . 2 . 3]" 1
827 1 28 LEU H 1 28 LEU HB2 3.000 . 3.500 2.525 2.236 3.564 0.064 22 0 "[ . 1 . 2 . 3]" 1
828 1 28 LEU H 1 28 LEU HB3 3.000 . 3.500 3.548 2.996 3.606 0.106 30 0 "[ . 1 . 2 . 3]" 1
829 1 30 ARG H 1 30 ARG QB 2.500 . 2.900 2.524 2.136 2.968 0.068 15 0 "[ . 1 . 2 . 3]" 1
830 1 31 GLN H 1 31 GLN HA 3.000 . 3.500 2.869 2.854 2.886 . 0 0 "[ . 1 . 2 . 3]" 1
831 1 31 GLN H 1 31 GLN HG2 4.000 . 5.000 3.843 2.684 4.084 . 0 0 "[ . 1 . 2 . 3]" 1
832 1 32 PHE H 1 32 PHE QD 4.000 . 5.000 2.616 2.333 2.841 . 0 0 "[ . 1 . 2 . 3]" 1
833 1 32 PHE H 1 32 PHE HB2 3.000 . 3.500 2.407 2.363 2.461 . 0 0 "[ . 1 . 2 . 3]" 1
834 1 33 GLY H 1 33 GLY HA3 2.500 . 2.900 2.989 2.893 3.002 0.102 5 0 "[ . 1 . 2 . 3]" 1
835 1 33 GLY H 1 33 GLY HA2 3.000 . 3.500 2.515 2.347 2.595 . 0 0 "[ . 1 . 2 . 3]" 1
836 1 34 TYR H 1 34 TYR HB2 3.000 . 3.500 2.784 2.360 2.904 . 0 0 "[ . 1 . 2 . 3]" 1
837 1 34 TYR H 1 34 TYR QD 4.000 . 5.000 2.971 2.843 3.424 . 0 0 "[ . 1 . 2 . 3]" 1
838 1 34 TYR H 1 34 TYR HB3 4.000 . 5.000 3.624 3.584 3.835 . 0 0 "[ . 1 . 2 . 3]" 1
839 1 35 ALA H 1 35 ALA MB 2.500 . 3.400 2.226 2.033 3.022 . 0 0 "[ . 1 . 2 . 3]" 1
840 1 38 THR H 1 38 THR HB 3.000 . 3.500 2.406 2.324 2.464 . 0 0 "[ . 1 . 2 . 3]" 1
841 1 38 THR H 1 38 THR HA 3.000 . 3.500 2.824 2.810 2.836 . 0 0 "[ . 1 . 2 . 3]" 1
842 1 39 LEU H 1 39 LEU HB3 3.000 . 3.500 3.049 2.642 3.543 0.043 22 0 "[ . 1 . 2 . 3]" 1
843 1 39 LEU H 1 39 LEU MD1 4.000 . 5.500 3.991 3.714 4.143 . 0 0 "[ . 1 . 2 . 3]" 1
844 1 40 ALA H 1 40 ALA HA 3.000 . 3.500 2.822 2.811 2.832 . 0 0 "[ . 1 . 2 . 3]" 1
845 1 41 ASN H 1 41 ASN HA 3.000 . 3.500 2.824 2.813 2.862 . 0 0 "[ . 1 . 2 . 3]" 1
846 1 41 ASN H 1 41 ASN HB2 3.000 . 3.500 2.537 2.334 3.591 0.091 10 0 "[ . 1 . 2 . 3]" 1
847 1 41 ASN H 1 41 ASN HB3 4.000 . 5.000 3.113 2.430 3.613 . 0 0 "[ . 1 . 2 . 3]" 1
848 1 43 LEU H 1 43 LEU HG 3.000 . 3.500 2.451 2.055 2.936 . 0 0 "[ . 1 . 2 . 3]" 1
849 1 43 LEU H 1 43 LEU HA 3.000 . 3.500 2.942 2.932 2.955 . 0 0 "[ . 1 . 2 . 3]" 1
850 1 43 LEU H 1 43 LEU MD2 4.000 . 5.500 3.761 3.271 4.141 . 0 0 "[ . 1 . 2 . 3]" 1
851 1 43 LEU H 1 43 LEU MD1 4.000 . 5.500 3.396 3.232 3.549 . 0 0 "[ . 1 . 2 . 3]" 1
852 1 43 LEU H 1 43 LEU HB3 4.000 . 5.000 3.640 3.587 3.681 . 0 0 "[ . 1 . 2 . 3]" 1
853 1 43 LEU H 1 43 LEU HB2 3.000 . 3.500 2.453 2.287 2.658 . 0 0 "[ . 1 . 2 . 3]" 1
854 1 44 GLU H 1 44 GLU QG 4.000 . 5.000 2.500 1.950 3.198 . 0 0 "[ . 1 . 2 . 3]" 1
855 1 45 ARG H 1 45 ARG HB2 4.000 . 5.000 2.647 2.214 3.661 . 0 0 "[ . 1 . 2 . 3]" 1
856 1 46 HIS H 1 46 HIS HB2 4.000 . 5.000 2.822 2.359 3.629 . 0 0 "[ . 1 . 2 . 3]" 1
857 1 46 HIS H 1 46 HIS HB3 4.000 . 5.000 2.978 2.446 3.667 . 0 0 "[ . 1 . 2 . 3]" 1
858 1 49 LYS H 1 49 LYS HG3 4.000 . 5.000 4.481 4.260 4.632 . 0 0 "[ . 1 . 2 . 3]" 1
859 1 49 LYS H 1 49 LYS HB3 3.000 . 3.500 2.638 2.277 2.799 . 0 0 "[ . 1 . 2 . 3]" 1
860 1 49 LYS H 1 49 LYS HB2 3.000 . 3.500 2.535 2.385 2.898 . 0 0 "[ . 1 . 2 . 3]" 1
861 1 51 GLU H 1 51 GLU HB2 4.000 . 5.000 2.620 2.288 2.724 . 0 0 "[ . 1 . 2 . 3]" 1
862 1 52 GLN H 1 52 GLN HG2 3.000 . 3.500 2.895 1.886 3.816 0.316 22 0 "[ . 1 . 2 . 3]" 1
863 1 53 ILE H 1 53 ILE MG 4.000 . 5.500 3.777 3.758 3.791 . 0 0 "[ . 1 . 2 . 3]" 1
864 1 53 ILE H 1 53 ILE HG13 4.000 . 5.000 2.042 1.793 2.210 0.007 9 0 "[ . 1 . 2 . 3]" 1
865 1 53 ILE H 1 53 ILE MD 4.000 . 5.500 3.481 3.311 3.608 . 0 0 "[ . 1 . 2 . 3]" 1
866 1 53 ILE H 1 53 ILE HG12 3.000 . 3.500 3.374 3.046 3.572 0.072 11 0 "[ . 1 . 2 . 3]" 1
867 1 53 ILE H 1 53 ILE HB 3.000 . 3.500 2.544 2.432 2.758 . 0 0 "[ . 1 . 2 . 3]" 1
868 1 54 ILE H 1 54 ILE HG12 3.000 . 3.500 3.615 3.511 3.715 0.215 7 0 "[ . 1 . 2 . 3]" 1
869 1 54 ILE H 1 54 ILE MG 4.000 . 5.500 3.747 3.718 3.766 . 0 0 "[ . 1 . 2 . 3]" 1
870 1 54 ILE H 1 54 ILE HB 3.000 . 3.500 2.400 2.319 2.477 . 0 0 "[ . 1 . 2 . 3]" 1
871 1 54 ILE H 1 54 ILE HG13 4.000 . 5.000 2.244 2.145 2.374 . 0 0 "[ . 1 . 2 . 3]" 1
872 1 55 ALA H 1 55 ALA MB 2.500 . 3.400 2.217 2.161 2.251 . 0 0 "[ . 1 . 2 . 3]" 1
873 1 56 ASN H 1 56 ASN HA 3.000 . 3.500 2.834 2.824 2.852 . 0 0 "[ . 1 . 2 . 3]" 1
874 1 56 ASN H 1 56 ASN HB2 2.500 . 2.900 2.530 2.319 2.740 . 0 0 "[ . 1 . 2 . 3]" 1
875 1 56 ASN H 1 56 ASN HB3 3.000 . 3.500 2.825 2.379 3.605 0.105 25 0 "[ . 1 . 2 . 3]" 1
876 1 57 ALA H 1 57 ALA HA 3.000 . 3.500 2.849 2.840 2.863 . 0 0 "[ . 1 . 2 . 3]" 1
877 1 57 ALA H 1 57 ALA MB 2.500 . 3.400 2.205 2.110 2.255 . 0 0 "[ . 1 . 2 . 3]" 1
878 1 58 LEU H 1 58 LEU HB3 3.000 . 3.500 3.610 3.514 3.644 0.144 1 0 "[ . 1 . 2 . 3]" 1
879 1 59 GLU H 1 59 GLU HA 2.500 . 2.900 2.344 2.330 2.353 . 0 0 "[ . 1 . 2 . 3]" 1
880 1 59 GLU H 1 59 GLU HG2 4.000 . 5.000 3.769 2.679 5.202 0.202 27 0 "[ . 1 . 2 . 3]" 1
881 1 60 THR H 1 60 THR MG 3.000 . 3.900 2.196 2.115 2.266 . 0 0 "[ . 1 . 2 . 3]" 1
882 1 60 THR H 1 60 THR HA 3.000 . 3.500 3.004 3.000 3.009 . 0 0 "[ . 1 . 2 . 3]" 1
883 1 60 THR H 1 60 THR HB 4.000 . 5.000 2.815 2.764 2.867 . 0 0 "[ . 1 . 2 . 3]" 1
884 1 61 LYS H 1 61 LYS HG2 4.000 . 5.000 3.881 3.226 4.143 . 0 0 "[ . 1 . 2 . 3]" 1
885 1 61 LYS H 1 61 LYS HB3 4.000 . 5.000 3.730 3.677 3.806 . 0 0 "[ . 1 . 2 . 3]" 1
886 1 61 LYS H 1 61 LYS HB2 4.000 . 5.000 2.666 2.473 2.837 . 0 0 "[ . 1 . 2 . 3]" 1
887 1 63 GLU H 1 63 GLU HB2 4.000 . 5.000 2.975 2.323 3.624 . 0 0 "[ . 1 . 2 . 3]" 1
888 1 63 GLU H 1 63 GLU HG2 4.000 . 5.000 2.702 1.800 3.784 . 0 0 "[ . 1 . 2 . 3]" 1
889 1 64 VAL H 1 64 VAL MG1 4.000 . 5.500 3.809 3.776 3.836 . 0 0 "[ . 1 . 2 . 3]" 1
890 1 64 VAL H 1 64 VAL MG2 3.000 . 4.000 2.255 2.010 2.446 . 0 0 "[ . 1 . 2 . 3]" 1
891 1 64 VAL H 1 64 VAL HB 2.500 . 2.900 2.552 2.428 2.650 . 0 0 "[ . 1 . 2 . 3]" 1
892 1 65 ILE H 1 65 ILE HG12 4.000 . 5.000 3.932 3.770 4.096 . 0 0 "[ . 1 . 2 . 3]" 1
893 1 65 ILE H 1 65 ILE HB 4.000 . 5.000 2.476 2.398 2.585 . 0 0 "[ . 1 . 2 . 3]" 1
894 1 66 TRP H 1 66 TRP HB2 4.000 . 5.000 2.671 2.558 2.754 . 0 0 "[ . 1 . 2 . 3]" 1
895 1 68 SER H 1 68 SER HB3 4.000 . 5.000 2.887 2.138 3.658 . 0 0 "[ . 1 . 2 . 3]" 1
896 1 68 SER H 1 68 SER HB2 4.000 . 5.000 2.826 2.225 3.657 . 0 0 "[ . 1 . 2 . 3]" 1
897 1 69 ARG H 1 69 ARG HB2 4.000 . 5.000 2.458 2.323 2.713 . 0 0 "[ . 1 . 2 . 3]" 1
898 1 70 TYR H 1 70 TYR HB3 4.000 . 5.000 3.648 3.612 3.757 . 0 0 "[ . 1 . 2 . 3]" 1
899 1 70 TYR H 1 70 TYR HB2 4.000 . 5.000 2.395 2.334 2.584 . 0 0 "[ . 1 . 2 . 3]" 1
900 1 71 GLN H 1 71 GLN HA 3.000 . 3.500 2.928 2.913 2.951 . 0 0 "[ . 1 . 2 . 3]" 1
901 1 71 GLN H 1 71 GLN HB3 3.000 . 3.500 3.180 2.967 3.736 0.236 30 0 "[ . 1 . 2 . 3]" 1
902 1 18 LEU H 1 18 LEU HG 4.000 . 5.000 2.522 2.145 2.715 . 0 0 "[ . 1 . 2 . 3]" 1
903 1 20 LYS H 1 20 LYS QD 4.000 . 5.000 4.293 3.733 4.712 . 0 0 "[ . 1 . 2 . 3]" 1
904 1 20 LYS H 1 20 LYS QB 2.500 . 2.900 2.271 2.126 2.377 . 0 0 "[ . 1 . 2 . 3]" 1
905 1 30 ARG H 1 30 ARG HG3 4.000 . 5.000 3.197 1.787 4.688 0.013 15 0 "[ . 1 . 2 . 3]" 1
906 1 31 GLN H 1 31 GLN HB2 3.000 . 3.500 2.256 2.179 2.407 . 0 0 "[ . 1 . 2 . 3]" 1
907 1 31 GLN H 1 31 GLN HB3 3.000 . 3.500 3.554 3.515 3.604 0.104 17 0 "[ . 1 . 2 . 3]" 1
908 1 39 LEU H 1 39 LEU HG 4.000 . 5.000 4.460 3.814 4.558 . 0 0 "[ . 1 . 2 . 3]" 1
909 1 40 ALA H 1 40 ALA MB 2.500 . 3.400 2.243 2.204 2.267 . 0 0 "[ . 1 . 2 . 3]" 1
910 1 42 ALA H 1 42 ALA MB 2.500 . 3.400 2.265 2.243 2.296 . 0 0 "[ . 1 . 2 . 3]" 1
911 1 44 GLU H 1 44 GLU HB3 4.000 . 5.000 3.542 3.191 3.856 . 0 0 "[ . 1 . 2 . 3]" 1
912 1 45 ARG H 1 45 ARG HG2 4.000 . 5.000 4.058 1.975 4.729 . 0 0 "[ . 1 . 2 . 3]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 40
_Distance_constraint_stats_list.Viol_count 258
_Distance_constraint_stats_list.Viol_total 428.847
_Distance_constraint_stats_list.Viol_max 0.190
_Distance_constraint_stats_list.Viol_rms 0.0287
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0119
_Distance_constraint_stats_list.Viol_average_violations_only 0.0554
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 10 HIS 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 11 ARG 2.230 0.102 14 0 "[ . 1 . 2 . 3]"
1 12 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 13 ASP 0.604 0.089 14 0 "[ . 1 . 2 . 3]"
1 14 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 15 ILE 2.230 0.102 14 0 "[ . 1 . 2 . 3]"
1 16 ALA 0.723 0.098 9 0 "[ . 1 . 2 . 3]"
1 17 GLY 0.604 0.089 14 0 "[ . 1 . 2 . 3]"
1 18 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 19 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 20 LYS 0.723 0.098 9 0 "[ . 1 . 2 . 3]"
1 25 LEU 0.727 0.131 17 0 "[ . 1 . 2 . 3]"
1 26 SER 0.462 0.064 16 0 "[ . 1 . 2 . 3]"
1 27 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 29 SER 0.727 0.131 17 0 "[ . 1 . 2 . 3]"
1 30 ARG 0.462 0.064 16 0 "[ . 1 . 2 . 3]"
1 31 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 36 PRO 0.155 0.081 12 0 "[ . 1 . 2 . 3]"
1 37 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 38 THR 0.293 0.125 9 0 "[ . 1 . 2 . 3]"
1 40 ALA 0.155 0.081 12 0 "[ . 1 . 2 . 3]"
1 41 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 42 ALA 0.293 0.125 9 0 "[ . 1 . 2 . 3]"
1 48 PRO 1.209 0.161 10 0 "[ . 1 . 2 . 3]"
1 49 LYS 3.027 0.169 25 0 "[ . 1 . 2 . 3]"
1 50 GLY 2.327 0.128 23 0 "[ . 1 . 2 . 3]"
1 51 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 52 GLN 1.209 0.161 10 0 "[ . 1 . 2 . 3]"
1 53 ILE 5.564 0.190 9 0 "[ . 1 . 2 . 3]"
1 54 ILE 2.327 0.128 23 0 "[ . 1 . 2 . 3]"
1 55 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 56 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 57 ALA 2.537 0.190 9 0 "[ . 1 . 2 . 3]"
1 62 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 66 TRP 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
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 10 HIS O 1 14 VAL N 3.300 2.300 3.500 3.080 2.708 3.245 . 0 0 "[ . 1 . 2 . 3]" 2
2 1 10 HIS O 1 14 VAL H 2.300 . 2.500 2.253 1.862 2.488 . 0 0 "[ . 1 . 2 . 3]" 2
3 1 11 ARG O 1 15 ILE N 3.300 2.300 3.500 3.505 3.217 3.581 0.081 14 0 "[ . 1 . 2 . 3]" 2
4 1 11 ARG O 1 15 ILE H 2.300 . 2.500 2.527 2.239 2.602 0.102 14 0 "[ . 1 . 2 . 3]" 2
5 1 12 ALA O 1 16 ALA N 3.300 2.300 3.500 2.599 2.517 2.666 . 0 0 "[ . 1 . 2 . 3]" 2
6 1 12 ALA O 1 16 ALA H 2.300 . 2.500 1.818 1.761 1.891 . 0 0 "[ . 1 . 2 . 3]" 2
7 1 13 ASP O 1 17 GLY N 3.300 2.300 3.500 3.271 3.074 3.388 . 0 0 "[ . 1 . 2 . 3]" 2
8 1 13 ASP O 1 17 GLY H 2.300 . 2.500 2.491 2.322 2.589 0.089 14 0 "[ . 1 . 2 . 3]" 2
9 1 14 VAL O 1 18 LEU N 3.300 2.300 3.500 2.964 2.858 3.161 . 0 0 "[ . 1 . 2 . 3]" 2
10 1 14 VAL O 1 18 LEU H 2.300 . 2.500 2.031 1.904 2.241 . 0 0 "[ . 1 . 2 . 3]" 2
11 1 15 ILE O 1 19 LYS N 3.300 2.300 3.500 2.581 2.486 2.748 . 0 0 "[ . 1 . 2 . 3]" 2
12 1 15 ILE O 1 19 LYS H 2.300 . 2.500 1.718 1.632 1.813 . 0 0 "[ . 1 . 2 . 3]" 2
13 1 16 ALA O 1 20 LYS N 3.300 2.300 3.500 3.005 2.700 3.178 . 0 0 "[ . 1 . 2 . 3]" 2
14 1 16 ALA O 1 20 LYS H 2.300 . 2.500 2.450 2.071 2.598 0.098 9 0 "[ . 1 . 2 . 3]" 2
15 1 25 LEU O 1 29 SER N 3.300 2.300 3.500 3.202 2.815 3.455 . 0 0 "[ . 1 . 2 . 3]" 2
16 1 25 LEU O 1 29 SER H 2.300 . 2.500 2.385 1.873 2.631 0.131 17 0 "[ . 1 . 2 . 3]" 2
17 1 26 SER O 1 30 ARG N 3.300 2.300 3.500 3.346 2.954 3.545 0.045 16 0 "[ . 1 . 2 . 3]" 2
18 1 26 SER O 1 30 ARG H 2.300 . 2.500 2.388 1.975 2.564 0.064 16 0 "[ . 1 . 2 . 3]" 2
19 1 27 ALA O 1 31 GLN N 3.300 2.300 3.500 2.886 2.630 3.140 . 0 0 "[ . 1 . 2 . 3]" 2
20 1 27 ALA O 1 31 GLN H 2.300 . 2.500 2.049 1.802 2.259 . 0 0 "[ . 1 . 2 . 3]" 2
21 1 36 PRO O 1 40 ALA N 3.300 2.300 3.500 3.118 2.718 3.535 0.035 12 0 "[ . 1 . 2 . 3]" 2
22 1 36 PRO O 1 40 ALA H 2.300 . 2.500 2.180 1.810 2.581 0.081 12 0 "[ . 1 . 2 . 3]" 2
23 1 37 THR O 1 41 ASN N 3.300 2.300 3.500 2.750 2.626 2.917 . 0 0 "[ . 1 . 2 . 3]" 2
24 1 37 THR O 1 41 ASN H 2.300 . 2.500 1.829 1.761 2.058 . 0 0 "[ . 1 . 2 . 3]" 2
25 1 38 THR O 1 42 ALA N 3.300 2.300 3.500 2.874 2.632 3.143 . 0 0 "[ . 1 . 2 . 3]" 2
26 1 38 THR O 1 42 ALA H 2.300 . 2.500 2.298 1.934 2.625 0.125 9 0 "[ . 1 . 2 . 3]" 2
27 1 48 PRO O 1 52 GLN N 3.300 2.300 3.500 3.380 3.168 3.538 0.038 10 0 "[ . 1 . 2 . 3]" 2
28 1 48 PRO O 1 52 GLN H 2.300 . 2.500 2.518 2.337 2.661 0.161 10 0 "[ . 1 . 2 . 3]" 2
29 1 49 LYS O 1 53 ILE N 3.300 2.300 3.500 3.491 3.432 3.556 0.056 7 0 "[ . 1 . 2 . 3]" 2
30 1 49 LYS O 1 53 ILE H 2.300 . 2.500 2.593 2.519 2.669 0.169 25 0 "[ . 1 . 2 . 3]" 2
31 1 50 GLY O 1 54 ILE N 3.300 2.300 3.500 3.517 3.459 3.579 0.079 23 0 "[ . 1 . 2 . 3]" 2
32 1 50 GLY O 1 54 ILE H 2.300 . 2.500 2.557 2.489 2.628 0.128 23 0 "[ . 1 . 2 . 3]" 2
33 1 51 GLU O 1 55 ALA N 3.300 2.300 3.500 2.845 2.747 3.001 . 0 0 "[ . 1 . 2 . 3]" 2
34 1 51 GLU O 1 55 ALA H 2.300 . 2.500 1.885 1.794 2.040 . 0 0 "[ . 1 . 2 . 3]" 2
35 1 52 GLN O 1 56 ASN N 3.300 2.300 3.500 2.648 2.558 2.722 . 0 0 "[ . 1 . 2 . 3]" 2
36 1 52 GLN O 1 56 ASN H 2.300 . 2.500 1.782 1.728 1.824 . 0 0 "[ . 1 . 2 . 3]" 2
37 1 53 ILE O 1 57 ALA N 3.300 2.300 3.500 3.421 3.318 3.548 0.048 17 0 "[ . 1 . 2 . 3]" 2
38 1 53 ILE O 1 57 ALA H 2.300 . 2.500 2.581 2.466 2.690 0.190 9 0 "[ . 1 . 2 . 3]" 2
39 1 62 PRO O 1 66 TRP N 3.300 2.300 3.500 3.096 2.871 3.349 . 0 0 "[ . 1 . 2 . 3]" 2
40 1 62 PRO O 1 66 TRP H 2.300 . 2.500 2.199 1.901 2.421 . 0 0 "[ . 1 . 2 . 3]" 2
stop_
save_
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