NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
372376 |
1d8j   |
4721 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1d8j
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 1182
_Distance_constraint_stats_list.Viol_count 638
_Distance_constraint_stats_list.Viol_total 569.896
_Distance_constraint_stats_list.Viol_max 0.274
_Distance_constraint_stats_list.Viol_rms 0.0098
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0012
_Distance_constraint_stats_list.Viol_average_violations_only 0.0447
_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 6 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 TYR 1.053 0.274 12 0 "[ . 1 . 2]"
1 9 LYS 2.933 0.274 12 0 "[ . 1 . 2]"
1 10 PHE 0.025 0.011 1 0 "[ . 1 . 2]"
1 11 GLY 0.013 0.013 18 0 "[ . 1 . 2]"
1 12 VAL 0.767 0.182 14 0 "[ . 1 . 2]"
1 13 LEU 0.126 0.024 4 0 "[ . 1 . 2]"
1 14 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 LYS 0.047 0.047 20 0 "[ . 1 . 2]"
1 16 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 ASN 0.006 0.005 10 0 "[ . 1 . 2]"
1 19 TYR 0.605 0.139 18 0 "[ . 1 . 2]"
1 20 MET 0.428 0.055 2 0 "[ . 1 . 2]"
1 21 LYS 0.141 0.039 10 0 "[ . 1 . 2]"
1 22 THR 1.639 0.139 18 0 "[ . 1 . 2]"
1 23 ARG 0.297 0.163 16 0 "[ . 1 . 2]"
1 24 HIS 2.965 0.102 12 0 "[ . 1 . 2]"
1 25 GLN 1.073 0.089 18 0 "[ . 1 . 2]"
1 26 ARG 0.108 0.086 13 0 "[ . 1 . 2]"
1 27 GLY 0.307 0.087 9 0 "[ . 1 . 2]"
1 28 ASP 1.075 0.163 16 0 "[ . 1 . 2]"
1 29 THR 1.883 0.181 2 0 "[ . 1 . 2]"
1 30 HIS 2.023 0.083 12 0 "[ . 1 . 2]"
1 31 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 LEU 2.104 0.067 6 0 "[ . 1 . 2]"
1 33 THR 1.604 0.126 2 0 "[ . 1 . 2]"
1 34 LEU 0.395 0.074 9 0 "[ . 1 . 2]"
1 35 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 GLU 0.102 0.039 20 0 "[ . 1 . 2]"
1 37 ILE 0.660 0.061 7 0 "[ . 1 . 2]"
1 38 LEU 1.688 0.132 2 0 "[ . 1 . 2]"
1 39 ASP 0.307 0.058 12 0 "[ . 1 . 2]"
1 40 GLU 0.509 0.061 7 0 "[ . 1 . 2]"
1 41 THR 2.838 0.172 14 0 "[ . 1 . 2]"
1 42 GLN 0.076 0.062 2 0 "[ . 1 . 2]"
1 43 HIS 2.724 0.172 14 0 "[ . 1 . 2]"
1 44 LEU 1.517 0.092 19 0 "[ . 1 . 2]"
1 45 ASP 0.407 0.165 11 0 "[ . 1 . 2]"
1 46 ILE 3.176 0.242 4 0 "[ . 1 . 2]"
1 47 GLY 1.875 0.242 4 0 "[ . 1 . 2]"
1 48 LEU 0.125 0.079 2 0 "[ . 1 . 2]"
1 49 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 GLN 0.366 0.054 8 0 "[ . 1 . 2]"
1 51 LYS 0.632 0.079 2 0 "[ . 1 . 2]"
1 52 GLN 0.096 0.045 11 0 "[ . 1 . 2]"
1 53 TRP 2.370 0.099 17 0 "[ . 1 . 2]"
1 54 LEU 0.259 0.046 11 0 "[ . 1 . 2]"
1 55 MET 0.299 0.041 9 0 "[ . 1 . 2]"
1 56 THR 0.301 0.088 8 0 "[ . 1 . 2]"
1 57 GLU 1.454 0.089 20 0 "[ . 1 . 2]"
1 58 ALA 0.072 0.027 9 0 "[ . 1 . 2]"
1 59 LEU 0.825 0.178 8 0 "[ . 1 . 2]"
1 60 VAL 1.225 0.178 8 0 "[ . 1 . 2]"
1 61 ASN 0.459 0.229 5 0 "[ . 1 . 2]"
1 62 ASN 0.229 0.229 5 0 "[ . 1 . 2]"
1 63 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 LYS 0.340 0.057 9 0 "[ . 1 . 2]"
1 65 ILE 0.050 0.039 1 0 "[ . 1 . 2]"
1 66 GLU 0.269 0.032 3 0 "[ . 1 . 2]"
1 67 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 ILE 0.865 0.069 8 0 "[ . 1 . 2]"
1 69 ASP 0.469 0.089 9 0 "[ . 1 . 2]"
1 70 GLY 0.119 0.089 9 0 "[ . 1 . 2]"
1 71 LYS 2.529 0.270 20 0 "[ . 1 . 2]"
1 72 TYR 0.632 0.059 3 0 "[ . 1 . 2]"
1 73 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 PHE 1.894 0.102 12 0 "[ . 1 . 2]"
1 75 LYS 0.470 0.057 9 0 "[ . 1 . 2]"
1 76 PRO 0.258 0.062 1 0 "[ . 1 . 2]"
1 77 LYS 0.042 0.042 3 0 "[ . 1 . 2]"
1 78 TYR 0.131 0.089 8 0 "[ . 1 . 2]"
1 79 ASN 0.089 0.089 8 0 "[ . 1 . 2]"
1 80 VAL 0.399 0.160 14 0 "[ . 1 . 2]"
1 81 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 6 SER HA 1 7 GLY H . . 4.000 2.836 2.237 3.629 . 0 0 "[ . 1 . 2]" 1
2 1 6 SER QB 1 7 GLY H . . 6.000 3.399 2.117 4.091 . 0 0 "[ . 1 . 2]" 1
3 1 8 TYR H 1 8 TYR QB . . 4.000 2.599 2.142 3.272 . 0 0 "[ . 1 . 2]" 1
4 1 8 TYR H 1 8 TYR QD . . 7.000 3.687 2.027 4.617 . 0 0 "[ . 1 . 2]" 1
5 1 7 GLY QA 1 8 TYR H . . 4.000 2.473 2.157 2.883 . 0 0 "[ . 1 . 2]" 1
6 1 8 TYR H 1 9 LYS H . . 5.000 3.858 2.255 4.687 . 0 0 "[ . 1 . 2]" 1
7 1 8 TYR QD 1 9 LYS QG . . 8.000 3.300 2.417 4.590 . 0 0 "[ . 1 . 2]" 1
8 1 8 TYR QD 1 9 LYS QD . . 8.000 3.758 2.996 4.749 . 0 0 "[ . 1 . 2]" 1
9 1 8 TYR QD 1 9 LYS QB . . 8.000 3.558 2.717 4.551 . 0 0 "[ . 1 . 2]" 1
10 1 8 TYR QD 1 50 GLN QG . . 8.000 4.122 2.387 5.760 . 0 0 "[ . 1 . 2]" 1
11 1 8 TYR QD 1 9 LYS HA . . 7.000 4.645 4.141 5.277 . 0 0 "[ . 1 . 2]" 1
12 1 7 GLY QA 1 8 TYR QD . . 8.000 4.828 3.554 5.687 . 0 0 "[ . 1 . 2]" 1
13 1 8 TYR QE 1 9 LYS QD . . 8.000 3.063 2.320 4.386 . 0 0 "[ . 1 . 2]" 1
14 1 8 TYR QE 1 50 GLN QG . . 7.000 3.693 2.341 5.557 . 0 0 "[ . 1 . 2]" 1
15 1 8 TYR QE 1 49 LYS QE . . 8.000 5.014 3.535 6.356 . 0 0 "[ . 1 . 2]" 1
16 1 8 TYR QD 1 10 PHE QD . . 9.000 5.048 4.129 6.023 . 0 0 "[ . 1 . 2]" 1
17 1 8 TYR QD 1 10 PHE QE . . 9.000 4.435 3.304 5.466 . 0 0 "[ . 1 . 2]" 1
18 1 8 TYR QD 1 10 PHE HZ . . 7.000 5.616 4.732 6.249 . 0 0 "[ . 1 . 2]" 1
19 1 9 LYS H 1 9 LYS QB . . 4.000 3.205 2.132 3.540 . 0 0 "[ . 1 . 2]" 1
20 1 9 LYS H 1 9 LYS QG . . 5.000 3.081 1.794 4.189 0.106 12 0 "[ . 1 . 2]" 1
21 1 9 LYS H 1 9 LYS QD . . 6.000 4.664 3.515 5.218 . 0 0 "[ . 1 . 2]" 1
22 1 8 TYR QB 1 9 LYS H . . 5.000 3.550 2.060 4.083 . 0 0 "[ . 1 . 2]" 1
23 1 8 TYR HA 1 9 LYS H . . 3.000 2.576 2.155 3.274 0.274 12 0 "[ . 1 . 2]" 1
24 1 8 TYR QD 1 9 LYS H . . 7.000 3.478 2.340 4.555 . 0 0 "[ . 1 . 2]" 1
25 1 8 TYR QE 1 9 LYS H . . 7.000 4.850 3.779 6.100 . 0 0 "[ . 1 . 2]" 1
26 1 9 LYS H 1 10 PHE H . . 4.000 3.119 1.979 3.931 . 0 0 "[ . 1 . 2]" 1
27 1 9 LYS HA 1 12 VAL QG . . 8.900 3.420 2.951 3.673 . 0 0 "[ . 1 . 2]" 1
28 1 9 LYS HA 1 12 VAL HB . . 3.000 3.006 2.777 3.182 0.182 14 0 "[ . 1 . 2]" 1
29 1 9 LYS QB 1 12 VAL HB . . 6.000 4.763 4.500 4.998 . 0 0 "[ . 1 . 2]" 1
30 1 9 LYS QB 1 50 GLN QG . . 7.000 4.029 2.286 5.581 . 0 0 "[ . 1 . 2]" 1
31 1 10 PHE H 1 10 PHE HB2 . . 3.000 2.695 2.548 2.820 . 0 0 "[ . 1 . 2]" 1
32 1 10 PHE H 1 10 PHE HB3 . . 4.000 3.535 3.504 3.610 . 0 0 "[ . 1 . 2]" 1
33 1 9 LYS QG 1 10 PHE H . . 5.000 3.076 1.906 4.192 . 0 0 "[ . 1 . 2]" 1
34 1 9 LYS QB 1 10 PHE H . . 5.000 2.633 2.008 3.476 . 0 0 "[ . 1 . 2]" 1
35 1 9 LYS HA 1 10 PHE H . . 4.000 3.588 3.555 3.611 . 0 0 "[ . 1 . 2]" 1
36 1 7 GLY QA 1 10 PHE H . . 6.000 4.185 2.826 4.877 . 0 0 "[ . 1 . 2]" 1
37 1 10 PHE H 1 11 GLY H . . 4.000 2.738 2.536 2.926 . 0 0 "[ . 1 . 2]" 1
38 1 9 LYS QG 1 10 PHE HA . . 6.000 4.584 3.099 5.492 . 0 0 "[ . 1 . 2]" 1
39 1 10 PHE HA 1 13 LEU MD2 . . 5.500 3.378 3.142 3.582 . 0 0 "[ . 1 . 2]" 1
40 1 9 LYS QB 1 10 PHE HA . . 6.000 3.981 3.511 4.942 . 0 0 "[ . 1 . 2]" 1
41 1 10 PHE HA 1 13 LEU HB2 . . 4.000 3.694 3.274 3.921 . 0 0 "[ . 1 . 2]" 1
42 1 10 PHE HA 1 13 LEU HB3 . . 3.000 2.630 2.472 2.812 . 0 0 "[ . 1 . 2]" 1
43 1 9 LYS HA 1 10 PHE HA . . 5.000 4.754 4.646 4.852 . 0 0 "[ . 1 . 2]" 1
44 1 7 GLY QA 1 10 PHE HB2 . . 6.000 3.562 2.516 3.915 . 0 0 "[ . 1 . 2]" 1
45 1 7 GLY QA 1 10 PHE HB3 . . 6.000 5.083 4.195 5.373 . 0 0 "[ . 1 . 2]" 1
46 1 9 LYS QG 1 10 PHE QD . . 8.000 4.042 2.555 5.323 . 0 0 "[ . 1 . 2]" 1
47 1 10 PHE QD 1 13 LEU MD1 . . 8.500 6.154 5.740 6.312 . 0 0 "[ . 1 . 2]" 1
48 1 9 LYS QB 1 10 PHE QD . . 8.000 3.741 3.176 4.704 . 0 0 "[ . 1 . 2]" 1
49 1 10 PHE QD 1 13 LEU HB2 . . 7.000 5.273 4.821 5.654 . 0 0 "[ . 1 . 2]" 1
50 1 10 PHE QD 1 13 LEU HB3 . . 7.000 4.562 4.172 4.812 . 0 0 "[ . 1 . 2]" 1
51 1 7 GLY QA 1 10 PHE QD . . 7.000 3.270 2.077 4.526 . 0 0 "[ . 1 . 2]" 1
52 1 10 PHE QD 1 13 LEU MD2 . . 8.500 3.859 3.533 4.101 . 0 0 "[ . 1 . 2]" 1
53 1 9 LYS QE 1 10 PHE QD . . 8.000 4.645 3.436 6.223 . 0 0 "[ . 1 . 2]" 1
54 1 9 LYS HA 1 10 PHE QD . . 7.000 5.437 5.294 5.526 . 0 0 "[ . 1 . 2]" 1
55 1 9 LYS QG 1 10 PHE QE . . 8.000 3.994 2.802 5.328 . 0 0 "[ . 1 . 2]" 1
56 1 10 PHE QE 1 13 LEU MD2 . . 8.500 5.241 4.923 5.631 . 0 0 "[ . 1 . 2]" 1
57 1 9 LYS QE 1 10 PHE QE . . 8.000 3.720 2.468 5.285 . 0 0 "[ . 1 . 2]" 1
58 1 7 GLY QA 1 10 PHE QE . . 8.000 4.773 2.784 6.353 . 0 0 "[ . 1 . 2]" 1
59 1 9 LYS HA 1 10 PHE QE . . 7.000 6.217 6.030 6.308 . 0 0 "[ . 1 . 2]" 1
60 1 9 LYS QE 1 10 PHE HZ . . 6.000 4.105 2.418 5.363 . 0 0 "[ . 1 . 2]" 1
61 1 8 TYR QE 1 10 PHE HZ . . 7.000 5.871 4.942 6.250 . 0 0 "[ . 1 . 2]" 1
62 1 11 GLY H 1 12 VAL QG . . 8.900 4.186 3.807 4.631 . 0 0 "[ . 1 . 2]" 1
63 1 11 GLY H 1 14 ALA MB . . 6.500 4.696 4.559 4.833 . 0 0 "[ . 1 . 2]" 1
64 1 10 PHE HB2 1 11 GLY H . . 4.000 2.547 2.402 2.751 . 0 0 "[ . 1 . 2]" 1
65 1 10 PHE HB3 1 11 GLY H . . 5.000 3.840 3.677 3.992 . 0 0 "[ . 1 . 2]" 1
66 1 9 LYS HA 1 11 GLY H . . 5.000 4.706 4.485 5.013 0.013 18 0 "[ . 1 . 2]" 1
67 1 10 PHE HA 1 11 GLY H . . 4.000 3.600 3.575 3.622 . 0 0 "[ . 1 . 2]" 1
68 1 11 GLY H 1 12 VAL H . . 4.000 2.754 2.691 2.846 . 0 0 "[ . 1 . 2]" 1
69 1 11 GLY QA 1 14 ALA MB . . 6.500 2.700 2.455 2.851 . 0 0 "[ . 1 . 2]" 1
70 1 12 VAL H 1 12 VAL HB . . 3.000 2.394 2.156 2.592 . 0 0 "[ . 1 . 2]" 1
71 1 12 VAL H 1 12 VAL QG . . 6.900 2.173 1.913 2.604 . 0 0 "[ . 1 . 2]" 1
72 1 12 VAL H 1 14 ALA MB . . 6.500 4.845 4.690 4.994 . 0 0 "[ . 1 . 2]" 1
73 1 9 LYS HA 1 12 VAL H . . 5.000 3.850 3.648 4.109 . 0 0 "[ . 1 . 2]" 1
74 1 11 GLY QA 1 12 VAL H . . 5.000 2.682 2.636 2.795 . 0 0 "[ . 1 . 2]" 1
75 1 12 VAL H 1 13 LEU H . . 3.000 2.731 2.579 2.810 . 0 0 "[ . 1 . 2]" 1
76 1 12 VAL HA 1 15 LYS QG . . 6.000 4.055 2.247 5.076 . 0 0 "[ . 1 . 2]" 1
77 1 12 VAL HA 1 15 LYS QB . . 5.000 2.808 2.466 4.282 . 0 0 "[ . 1 . 2]" 1
78 1 12 VAL QG 1 16 ILE QG . . 9.900 2.898 2.674 3.262 . 0 0 "[ . 1 . 2]" 1
79 1 12 VAL QG 1 43 HIS QB . . 9.900 3.064 2.598 4.178 . 0 0 "[ . 1 . 2]" 1
80 1 9 LYS QB 1 12 VAL QG . . 8.900 4.602 4.196 4.880 . 0 0 "[ . 1 . 2]" 1
81 1 12 VAL QG 1 50 GLN HA . . 8.900 5.373 4.898 5.767 . 0 0 "[ . 1 . 2]" 1
82 1 13 LEU H 1 13 LEU HB2 . . 3.000 2.528 2.467 2.605 . 0 0 "[ . 1 . 2]" 1
83 1 13 LEU H 1 13 LEU HB3 . . 3.000 2.429 2.361 2.494 . 0 0 "[ . 1 . 2]" 1
84 1 13 LEU H 1 13 LEU HG . . 5.000 4.413 4.369 4.447 . 0 0 "[ . 1 . 2]" 1
85 1 13 LEU H 1 13 LEU MD1 . . 5.500 4.059 4.000 4.121 . 0 0 "[ . 1 . 2]" 1
86 1 13 LEU H 1 13 LEU MD2 . . 6.500 4.223 4.189 4.248 . 0 0 "[ . 1 . 2]" 1
87 1 12 VAL HB 1 13 LEU H . . 3.000 2.596 2.419 2.780 . 0 0 "[ . 1 . 2]" 1
88 1 12 VAL HA 1 13 LEU H . . 5.000 3.607 3.590 3.626 . 0 0 "[ . 1 . 2]" 1
89 1 10 PHE HA 1 13 LEU H . . 5.000 3.578 3.396 3.741 . 0 0 "[ . 1 . 2]" 1
90 1 13 LEU H 1 53 TRP HZ3 . . 5.000 3.515 3.377 3.745 . 0 0 "[ . 1 . 2]" 1
91 1 13 LEU H 1 14 ALA H . . 5.000 2.771 2.700 2.839 . 0 0 "[ . 1 . 2]" 1
92 1 12 VAL QG 1 13 LEU HA . . 8.900 3.367 3.043 3.724 . 0 0 "[ . 1 . 2]" 1
93 1 13 LEU HG 1 16 ILE MG . . 6.500 5.184 4.922 5.415 . 0 0 "[ . 1 . 2]" 1
94 1 10 PHE HA 1 13 LEU HG . . 5.000 4.831 4.689 5.007 0.007 18 0 "[ . 1 . 2]" 1
95 1 13 LEU MD1 1 59 LEU MD1 . . 8.000 4.035 3.774 4.333 . 0 0 "[ . 1 . 2]" 1
96 1 13 LEU MD1 1 58 ALA MB . . 6.000 2.163 1.999 2.540 . 0 0 "[ . 1 . 2]" 1
97 1 13 LEU MD1 1 59 LEU MD2 . . 7.000 2.361 2.148 2.612 . 0 0 "[ . 1 . 2]" 1
98 1 13 LEU MD1 1 59 LEU HG . . 6.500 3.524 3.361 3.905 . 0 0 "[ . 1 . 2]" 1
99 1 13 LEU MD1 1 54 LEU HG . . 6.500 4.665 4.420 5.095 . 0 0 "[ . 1 . 2]" 1
100 1 13 LEU MD1 1 62 ASN QB . . 7.500 3.516 2.750 4.724 . 0 0 "[ . 1 . 2]" 1
101 1 13 LEU MD1 1 54 LEU HA . . 6.500 4.007 3.817 4.334 . 0 0 "[ . 1 . 2]" 1
102 1 13 LEU MD1 1 14 ALA HA . . 6.500 4.600 4.419 4.780 . 0 0 "[ . 1 . 2]" 1
103 1 10 PHE HA 1 13 LEU MD1 . . 6.500 5.200 4.908 5.387 . 0 0 "[ . 1 . 2]" 1
104 1 13 LEU MD2 1 58 ALA MB . . 6.000 2.152 1.981 2.339 . 0 0 "[ . 1 . 2]" 1
105 1 13 LEU MD2 1 59 LEU MD2 . . 8.000 4.094 3.898 4.317 . 0 0 "[ . 1 . 2]" 1
106 1 13 LEU MD2 1 62 ASN QB . . 7.500 3.766 2.814 5.444 . 0 0 "[ . 1 . 2]" 1
107 1 13 LEU MD2 1 54 LEU HA . . 6.500 4.998 4.728 5.247 . 0 0 "[ . 1 . 2]" 1
108 1 13 LEU MD2 1 14 ALA HA . . 6.500 4.770 4.561 4.964 . 0 0 "[ . 1 . 2]" 1
109 1 14 ALA H 1 14 ALA MB . . 4.500 2.207 2.200 2.213 . 0 0 "[ . 1 . 2]" 1
110 1 13 LEU MD1 1 14 ALA H . . 5.500 4.387 4.260 4.455 . 0 0 "[ . 1 . 2]" 1
111 1 13 LEU MD2 1 14 ALA H . . 6.500 4.247 4.012 4.447 . 0 0 "[ . 1 . 2]" 1
112 1 13 LEU HG 1 14 ALA H . . 5.000 3.593 3.395 3.779 . 0 0 "[ . 1 . 2]" 1
113 1 13 LEU HB3 1 14 ALA H . . 3.000 2.562 2.433 2.736 . 0 0 "[ . 1 . 2]" 1
114 1 13 LEU HA 1 14 ALA H . . 5.000 3.607 3.586 3.622 . 0 0 "[ . 1 . 2]" 1
115 1 14 ALA H 1 15 LYS H . . 4.000 2.750 2.690 2.885 . 0 0 "[ . 1 . 2]" 1
116 1 14 ALA HA 1 17 VAL MG1 . . 4.500 3.774 3.749 3.808 . 0 0 "[ . 1 . 2]" 1
117 1 14 ALA HA 1 17 VAL MG2 . . 4.500 3.459 3.194 3.724 . 0 0 "[ . 1 . 2]" 1
118 1 14 ALA HA 1 17 VAL HB . . 3.000 2.546 2.479 2.679 . 0 0 "[ . 1 . 2]" 1
119 1 15 LYS H 1 15 LYS QB . . 4.000 2.250 2.130 2.660 . 0 0 "[ . 1 . 2]" 1
120 1 15 LYS H 1 15 LYS QD . . 5.000 4.219 3.575 4.485 . 0 0 "[ . 1 . 2]" 1
121 1 15 LYS H 1 16 ILE MD . . 6.500 5.048 4.803 5.260 . 0 0 "[ . 1 . 2]" 1
122 1 15 LYS H 1 41 THR MG . . 6.500 5.337 4.855 5.455 . 0 0 "[ . 1 . 2]" 1
123 1 14 ALA MB 1 15 LYS H . . 4.500 2.536 2.406 2.724 . 0 0 "[ . 1 . 2]" 1
124 1 15 LYS H 1 16 ILE QG . . 6.000 4.536 4.224 4.643 . 0 0 "[ . 1 . 2]" 1
125 1 12 VAL HA 1 15 LYS H . . 4.000 3.501 3.326 3.663 . 0 0 "[ . 1 . 2]" 1
126 1 14 ALA HA 1 15 LYS H . . 5.000 3.611 3.595 3.652 . 0 0 "[ . 1 . 2]" 1
127 1 15 LYS H 1 16 ILE H . . 3.000 2.682 2.573 2.822 . 0 0 "[ . 1 . 2]" 1
128 1 15 LYS H 1 17 VAL H . . 5.000 4.246 4.101 4.341 . 0 0 "[ . 1 . 2]" 1
129 1 15 LYS HA 1 18 ASN QB . . 4.000 2.674 2.324 2.949 . 0 0 "[ . 1 . 2]" 1
130 1 15 LYS QB 1 16 ILE MD . . 7.500 4.453 4.220 5.572 . 0 0 "[ . 1 . 2]" 1
131 1 16 ILE H 1 16 ILE HB . . 3.000 2.325 2.259 2.463 . 0 0 "[ . 1 . 2]" 1
132 1 16 ILE H 1 16 ILE QG . . 4.000 2.346 2.042 2.565 . 0 0 "[ . 1 . 2]" 1
133 1 16 ILE H 1 16 ILE MG . . 5.500 3.712 3.687 3.741 . 0 0 "[ . 1 . 2]" 1
134 1 16 ILE H 1 16 ILE MD . . 5.500 3.346 3.235 3.487 . 0 0 "[ . 1 . 2]" 1
135 1 16 ILE H 1 17 VAL MG2 . . 6.500 4.619 4.430 4.816 . 0 0 "[ . 1 . 2]" 1
136 1 15 LYS QG 1 16 ILE H . . 6.000 3.778 2.430 4.354 . 0 0 "[ . 1 . 2]" 1
137 1 12 VAL HA 1 16 ILE H . . 5.000 4.134 3.962 4.646 . 0 0 "[ . 1 . 2]" 1
138 1 13 LEU HA 1 16 ILE H . . 5.000 3.456 3.301 3.585 . 0 0 "[ . 1 . 2]" 1
139 1 15 LYS HA 1 16 ILE H . . 5.000 3.597 3.564 3.621 . 0 0 "[ . 1 . 2]" 1
140 1 16 ILE H 1 17 VAL H . . 3.000 2.765 2.637 2.897 . 0 0 "[ . 1 . 2]" 1
141 1 16 ILE HA 1 19 TYR QB . . 4.000 2.628 2.369 3.220 . 0 0 "[ . 1 . 2]" 1
142 1 16 ILE HA 1 41 THR HB . . 5.000 4.076 3.653 4.529 . 0 0 "[ . 1 . 2]" 1
143 1 16 ILE HB 1 17 VAL MG2 . . 6.500 3.582 3.372 3.791 . 0 0 "[ . 1 . 2]" 1
144 1 13 LEU HA 1 16 ILE HB . . 3.000 2.599 2.365 2.918 . 0 0 "[ . 1 . 2]" 1
145 1 13 LEU HA 1 16 ILE QG . . 6.000 3.815 3.406 4.025 . 0 0 "[ . 1 . 2]" 1
146 1 16 ILE MG 1 59 LEU MD1 . . 7.000 3.081 2.439 3.556 . 0 0 "[ . 1 . 2]" 1
147 1 16 ILE MG 1 59 LEU MD2 . . 7.000 2.492 2.181 2.894 . 0 0 "[ . 1 . 2]" 1
148 1 16 ILE MG 1 20 MET HB2 . . 6.500 3.590 3.117 3.907 . 0 0 "[ . 1 . 2]" 1
149 1 16 ILE MG 1 20 MET QG . . 6.500 2.911 2.261 4.229 . 0 0 "[ . 1 . 2]" 1
150 1 16 ILE MG 1 17 VAL HA . . 5.500 3.195 3.093 3.267 . 0 0 "[ . 1 . 2]" 1
151 1 13 LEU HA 1 16 ILE MG . . 6.500 3.933 3.625 4.306 . 0 0 "[ . 1 . 2]" 1
152 1 16 ILE MD 1 59 LEU MD1 . . 7.000 3.271 2.488 3.790 . 0 0 "[ . 1 . 2]" 1
153 1 13 LEU HA 1 16 ILE MD . . 4.500 2.355 2.182 2.641 . 0 0 "[ . 1 . 2]" 1
154 1 17 VAL H 1 17 VAL HB . . 3.000 2.235 2.144 2.294 . 0 0 "[ . 1 . 2]" 1
155 1 17 VAL H 1 17 VAL MG1 . . 5.500 3.675 3.615 3.704 . 0 0 "[ . 1 . 2]" 1
156 1 17 VAL H 1 17 VAL MG2 . . 4.500 2.428 2.332 2.622 . 0 0 "[ . 1 . 2]" 1
157 1 13 LEU MD1 1 17 VAL H . . 5.500 3.599 3.422 3.834 . 0 0 "[ . 1 . 2]" 1
158 1 16 ILE MG 1 17 VAL H . . 5.500 3.061 2.958 3.150 . 0 0 "[ . 1 . 2]" 1
159 1 14 ALA MB 1 17 VAL H . . 6.500 4.688 4.596 4.777 . 0 0 "[ . 1 . 2]" 1
160 1 16 ILE QG 1 17 VAL H . . 6.000 4.200 4.045 4.263 . 0 0 "[ . 1 . 2]" 1
161 1 16 ILE HA 1 17 VAL H . . 5.000 3.603 3.585 3.615 . 0 0 "[ . 1 . 2]" 1
162 1 13 LEU HA 1 17 VAL H . . 5.000 3.990 3.910 4.117 . 0 0 "[ . 1 . 2]" 1
163 1 14 ALA HA 1 17 VAL H . . 5.000 3.508 3.404 3.572 . 0 0 "[ . 1 . 2]" 1
164 1 17 VAL H 1 18 ASN H . . 4.000 2.811 2.715 2.867 . 0 0 "[ . 1 . 2]" 1
165 1 17 VAL HA 1 20 MET HB2 . . 5.000 3.030 2.601 3.612 . 0 0 "[ . 1 . 2]" 1
166 1 17 VAL HA 1 20 MET HB3 . . 5.000 4.237 3.345 4.870 . 0 0 "[ . 1 . 2]" 1
167 1 17 VAL HA 1 20 MET QG . . 6.000 4.181 3.538 5.348 . 0 0 "[ . 1 . 2]" 1
168 1 14 ALA MB 1 17 VAL HB . . 6.500 4.095 3.979 4.222 . 0 0 "[ . 1 . 2]" 1
169 1 17 VAL MG2 1 59 LEU MD1 . . 8.000 5.394 5.045 5.552 . 0 0 "[ . 1 . 2]" 1
170 1 17 VAL MG2 1 59 LEU MD2 . . 7.000 3.479 3.198 3.702 . 0 0 "[ . 1 . 2]" 1
171 1 13 LEU MD1 1 17 VAL MG2 . . 6.000 2.547 2.273 2.840 . 0 0 "[ . 1 . 2]" 1
172 1 16 ILE MG 1 17 VAL MG2 . . 8.000 3.209 3.088 3.342 . 0 0 "[ . 1 . 2]" 1
173 1 17 VAL MG2 1 65 ILE MD . . 8.000 2.555 2.019 3.326 . 0 0 "[ . 1 . 2]" 1
174 1 17 VAL MG2 1 65 ILE QG . . 7.500 3.189 2.287 4.969 . 0 0 "[ . 1 . 2]" 1
175 1 13 LEU HB2 1 17 VAL MG2 . . 6.500 5.119 4.868 5.314 . 0 0 "[ . 1 . 2]" 1
176 1 13 LEU HG 1 17 VAL MG2 . . 6.500 2.852 2.595 3.065 . 0 0 "[ . 1 . 2]" 1
177 1 17 VAL MG2 1 62 ASN QB . . 7.500 4.006 3.430 4.916 . 0 0 "[ . 1 . 2]" 1
178 1 17 VAL MG2 1 59 LEU HA . . 6.500 5.159 4.789 5.419 . 0 0 "[ . 1 . 2]" 1
179 1 17 VAL MG2 1 64 LYS HA . . 6.500 5.413 5.296 5.429 . 0 0 "[ . 1 . 2]" 1
180 1 17 VAL MG2 1 18 ASN HA . . 6.500 5.410 5.348 5.427 . 0 0 "[ . 1 . 2]" 1
181 1 13 LEU MD1 1 17 VAL MG1 . . 8.000 4.826 4.560 5.098 . 0 0 "[ . 1 . 2]" 1
182 1 17 VAL MG1 1 65 ILE MD . . 8.000 3.776 3.077 4.539 . 0 0 "[ . 1 . 2]" 1
183 1 17 VAL MG1 1 64 LYS QE . . 6.500 3.432 1.944 4.836 . 0 0 "[ . 1 . 2]" 1
184 1 17 VAL MG1 1 64 LYS HA . . 6.500 5.160 4.774 5.424 . 0 0 "[ . 1 . 2]" 1
185 1 17 VAL MG1 1 18 ASN HA . . 5.500 3.097 3.001 3.146 . 0 0 "[ . 1 . 2]" 1
186 1 18 ASN H 1 18 ASN QB . . 4.000 2.214 2.092 2.244 . 0 0 "[ . 1 . 2]" 1
187 1 18 ASN H 1 41 THR MG . . 6.500 5.402 5.320 5.432 . 0 0 "[ . 1 . 2]" 1
188 1 17 VAL MG2 1 18 ASN H . . 6.500 4.061 3.964 4.145 . 0 0 "[ . 1 . 2]" 1
189 1 17 VAL MG1 1 18 ASN H . . 5.500 2.963 2.767 3.081 . 0 0 "[ . 1 . 2]" 1
190 1 14 ALA MB 1 18 ASN H . . 6.500 4.510 4.350 4.695 . 0 0 "[ . 1 . 2]" 1
191 1 17 VAL HB 1 18 ASN H . . 3.000 2.682 2.527 2.826 . 0 0 "[ . 1 . 2]" 1
192 1 17 VAL HA 1 18 ASN H . . 5.000 3.612 3.597 3.622 . 0 0 "[ . 1 . 2]" 1
193 1 15 LYS HA 1 18 ASN H . . 4.000 3.524 3.077 3.738 . 0 0 "[ . 1 . 2]" 1
194 1 18 ASN H 1 19 TYR H . . 4.000 2.721 2.591 2.801 . 0 0 "[ . 1 . 2]" 1
195 1 18 ASN HA 1 21 LYS QD . . 6.000 3.871 2.779 5.364 . 0 0 "[ . 1 . 2]" 1
196 1 18 ASN HA 1 21 LYS HB2 . . 4.000 3.406 2.575 3.788 . 0 0 "[ . 1 . 2]" 1
197 1 18 ASN HA 1 21 LYS QG . . 6.000 4.334 3.716 4.912 . 0 0 "[ . 1 . 2]" 1
198 1 18 ASN HA 1 21 LYS HB3 . . 3.000 2.639 2.316 3.001 0.001 13 0 "[ . 1 . 2]" 1
199 1 18 ASN HA 1 21 LYS QE . . 5.000 3.864 2.139 4.502 . 0 0 "[ . 1 . 2]" 1
200 1 19 TYR H 1 19 TYR QB . . 4.000 2.038 1.986 2.111 . 0 0 "[ . 1 . 2]" 1
201 1 19 TYR H 1 41 THR MG . . 5.500 3.890 3.638 4.198 . 0 0 "[ . 1 . 2]" 1
202 1 18 ASN QB 1 19 TYR H . . 5.000 2.538 2.378 2.671 . 0 0 "[ . 1 . 2]" 1
203 1 16 ILE HA 1 19 TYR H . . 5.000 3.544 3.425 3.851 . 0 0 "[ . 1 . 2]" 1
204 1 18 ASN HA 1 19 TYR H . . 4.000 3.602 3.569 3.628 . 0 0 "[ . 1 . 2]" 1
205 1 17 VAL H 1 19 TYR H . . 5.000 4.283 4.095 4.578 . 0 0 "[ . 1 . 2]" 1
206 1 19 TYR HA 1 22 THR MG . . 6.500 4.344 4.138 4.494 . 0 0 "[ . 1 . 2]" 1
207 1 19 TYR HA 1 22 THR HB . . 3.000 2.986 2.744 3.139 0.139 18 0 "[ . 1 . 2]" 1
208 1 19 TYR QB 1 41 THR MG . . 5.500 2.300 2.027 2.722 . 0 0 "[ . 1 . 2]" 1
209 1 19 TYR QD 1 41 THR MG . . 7.500 2.590 2.175 3.499 . 0 0 "[ . 1 . 2]" 1
210 1 16 ILE MG 1 19 TYR QD . . 8.500 2.831 2.551 3.223 . 0 0 "[ . 1 . 2]" 1
211 1 19 TYR QD 1 37 ILE MG . . 7.500 2.847 2.323 3.361 . 0 0 "[ . 1 . 2]" 1
212 1 19 TYR QD 1 37 ILE QG . . 7.000 3.995 3.341 4.382 . 0 0 "[ . 1 . 2]" 1
213 1 19 TYR QD 1 20 MET QG . . 8.000 2.761 2.155 3.979 . 0 0 "[ . 1 . 2]" 1
214 1 19 TYR QD 1 37 ILE HA . . 6.000 4.397 3.750 5.170 . 0 0 "[ . 1 . 2]" 1
215 1 16 ILE HA 1 19 TYR QD . . 7.000 2.482 2.129 3.019 . 0 0 "[ . 1 . 2]" 1
216 1 19 TYR QD 1 20 MET HA . . 7.000 3.827 3.647 3.947 . 0 0 "[ . 1 . 2]" 1
217 1 19 TYR QD 1 40 GLU HB2 . . 7.000 4.258 3.839 5.287 . 0 0 "[ . 1 . 2]" 1
218 1 19 TYR QD 1 40 GLU HB3 . . 7.000 3.479 3.032 3.906 . 0 0 "[ . 1 . 2]" 1
219 1 19 TYR QD 1 23 ARG QD . . 8.000 4.115 2.244 5.463 . 0 0 "[ . 1 . 2]" 1
220 1 19 TYR QD 1 32 LEU MD1 . . 8.500 5.034 4.448 5.610 . 0 0 "[ . 1 . 2]" 1
221 1 19 TYR QE 1 41 THR MG . . 8.500 3.636 2.856 4.753 . 0 0 "[ . 1 . 2]" 1
222 1 19 TYR QE 1 23 ARG QD . . 8.000 2.905 1.916 4.279 . 0 0 "[ . 1 . 2]" 1
223 1 19 TYR QE 1 37 ILE HA . . 5.000 2.397 2.096 3.180 . 0 0 "[ . 1 . 2]" 1
224 1 16 ILE HA 1 19 TYR QE . . 7.000 4.557 4.082 5.224 . 0 0 "[ . 1 . 2]" 1
225 1 19 TYR QE 1 40 GLU HA . . 7.000 4.995 4.651 5.307 . 0 0 "[ . 1 . 2]" 1
226 1 19 TYR QE 1 40 GLU HB2 . . 6.000 3.151 2.701 3.746 . 0 0 "[ . 1 . 2]" 1
227 1 19 TYR QE 1 40 GLU HB3 . . 6.000 2.789 2.161 3.178 . 0 0 "[ . 1 . 2]" 1
228 1 19 TYR QE 1 20 MET HA . . 7.000 3.921 3.661 4.128 . 0 0 "[ . 1 . 2]" 1
229 1 19 TYR QE 1 32 LEU MD1 . . 6.500 3.356 2.679 3.916 . 0 0 "[ . 1 . 2]" 1
230 1 19 TYR QE 1 40 GLU QG . . 8.000 3.104 2.280 3.889 . 0 0 "[ . 1 . 2]" 1
231 1 19 TYR QE 1 37 ILE QG . . 8.000 2.263 2.106 2.644 . 0 0 "[ . 1 . 2]" 1
232 1 19 TYR QE 1 37 ILE MG . . 8.000 2.269 2.077 2.823 . 0 0 "[ . 1 . 2]" 1
233 1 19 TYR QE 1 23 ARG QB . . 8.000 3.365 2.462 4.421 . 0 0 "[ . 1 . 2]" 1
234 1 20 MET H 1 20 MET HB2 . . 3.000 2.267 2.051 2.451 . 0 0 "[ . 1 . 2]" 1
235 1 20 MET H 1 20 MET HB3 . . 4.000 3.430 2.988 3.588 . 0 0 "[ . 1 . 2]" 1
236 1 20 MET H 1 20 MET QG . . 4.000 2.684 2.131 3.634 . 0 0 "[ . 1 . 2]" 1
237 1 16 ILE MG 1 20 MET H . . 6.500 3.806 3.689 3.950 . 0 0 "[ . 1 . 2]" 1
238 1 20 MET H 1 21 LYS HB3 . . 5.000 4.907 4.638 5.039 0.039 10 0 "[ . 1 . 2]" 1
239 1 17 VAL HA 1 20 MET H . . 5.000 3.807 3.615 3.941 . 0 0 "[ . 1 . 2]" 1
240 1 16 ILE HA 1 20 MET H . . 5.000 3.797 3.676 3.953 . 0 0 "[ . 1 . 2]" 1
241 1 19 TYR HA 1 20 MET H . . 5.000 3.621 3.588 3.638 . 0 0 "[ . 1 . 2]" 1
242 1 18 ASN HA 1 20 MET H . . 5.000 4.822 4.412 5.005 0.005 10 0 "[ . 1 . 2]" 1
243 1 19 TYR QD 1 20 MET H . . 7.000 2.710 2.409 2.893 . 0 0 "[ . 1 . 2]" 1
244 1 20 MET H 1 21 LYS H . . 5.000 2.744 2.574 2.841 . 0 0 "[ . 1 . 2]" 1
245 1 20 MET HA 1 23 ARG QG . . 5.000 3.451 2.127 4.485 . 0 0 "[ . 1 . 2]" 1
246 1 20 MET HA 1 23 ARG QB . . 6.000 3.004 2.119 4.356 . 0 0 "[ . 1 . 2]" 1
247 1 20 MET HA 1 74 PHE HB3 . . 5.000 4.913 4.356 5.055 0.055 2 0 "[ . 1 . 2]" 1
248 1 20 MET HA 1 23 ARG QD . . 5.000 3.758 2.176 4.577 . 0 0 "[ . 1 . 2]" 1
249 1 20 MET HB3 1 74 PHE HB3 . . 5.000 3.397 2.455 3.921 . 0 0 "[ . 1 . 2]" 1
250 1 20 MET HB3 1 74 PHE HB2 . . 4.000 2.147 2.047 2.322 . 0 0 "[ . 1 . 2]" 1
251 1 20 MET HB2 1 74 PHE HB2 . . 5.000 3.342 2.481 3.972 . 0 0 "[ . 1 . 2]" 1
252 1 21 LYS H 1 21 LYS HB2 . . 3.000 2.500 2.130 2.636 . 0 0 "[ . 1 . 2]" 1
253 1 21 LYS H 1 21 LYS HB3 . . 3.000 2.485 2.329 2.827 . 0 0 "[ . 1 . 2]" 1
254 1 21 LYS H 1 21 LYS QG . . 6.000 3.946 3.824 3.993 . 0 0 "[ . 1 . 2]" 1
255 1 17 VAL MG1 1 21 LYS H . . 6.500 4.114 3.991 4.339 . 0 0 "[ . 1 . 2]" 1
256 1 20 MET HB3 1 21 LYS H . . 5.000 3.364 2.812 3.863 . 0 0 "[ . 1 . 2]" 1
257 1 17 VAL HA 1 21 LYS H . . 5.000 3.977 3.858 4.256 . 0 0 "[ . 1 . 2]" 1
258 1 20 MET HA 1 21 LYS H . . 5.000 3.587 3.562 3.606 . 0 0 "[ . 1 . 2]" 1
259 1 18 ASN HA 1 21 LYS H . . 4.000 3.592 3.312 3.729 . 0 0 "[ . 1 . 2]" 1
260 1 21 LYS H 1 22 THR H . . 4.000 2.804 2.675 3.050 . 0 0 "[ . 1 . 2]" 1
261 1 21 LYS HA 1 24 HIS QB . . 4.000 2.635 2.409 2.988 . 0 0 "[ . 1 . 2]" 1
262 1 22 THR H 1 22 THR HB . . 3.000 2.540 2.416 2.695 . 0 0 "[ . 1 . 2]" 1
263 1 22 THR H 1 22 THR MG . . 5.500 3.731 3.704 3.744 . 0 0 "[ . 1 . 2]" 1
264 1 21 LYS QD 1 22 THR H . . 5.000 3.899 2.816 4.551 . 0 0 "[ . 1 . 2]" 1
265 1 21 LYS HB3 1 22 THR H . . 3.000 2.398 2.089 2.619 . 0 0 "[ . 1 . 2]" 1
266 1 21 LYS HA 1 22 THR H . . 5.000 3.608 3.590 3.619 . 0 0 "[ . 1 . 2]" 1
267 1 18 ASN HA 1 22 THR H . . 5.000 4.017 3.844 4.300 . 0 0 "[ . 1 . 2]" 1
268 1 21 LYS QD 1 22 THR HA . . 6.000 4.168 2.554 5.359 . 0 0 "[ . 1 . 2]" 1
269 1 22 THR HA 1 25 GLN HB3 . . 4.000 3.143 2.162 4.067 0.067 14 0 "[ . 1 . 2]" 1
270 1 22 THR HA 1 25 GLN HB2 . . 4.000 2.833 2.215 3.830 . 0 0 "[ . 1 . 2]" 1
271 1 22 THR HA 1 25 GLN HG3 . . 5.000 4.592 3.487 5.078 0.078 15 0 "[ . 1 . 2]" 1
272 1 22 THR HA 1 25 GLN HG2 . . 5.000 4.721 4.009 5.089 0.089 18 0 "[ . 1 . 2]" 1
273 1 22 THR MG 1 26 ARG QG . . 7.500 3.939 2.885 5.084 . 0 0 "[ . 1 . 2]" 1
274 1 22 THR MG 1 25 GLN HB2 . . 6.500 4.301 3.684 5.341 . 0 0 "[ . 1 . 2]" 1
275 1 21 LYS QE 1 22 THR MG . . 7.500 4.989 3.701 5.567 . 0 0 "[ . 1 . 2]" 1
276 1 22 THR MG 1 26 ARG QD . . 5.500 3.204 2.192 4.095 . 0 0 "[ . 1 . 2]" 1
277 1 22 THR MG 1 23 ARG HA . . 6.500 3.569 3.332 3.769 . 0 0 "[ . 1 . 2]" 1
278 1 23 ARG H 1 23 ARG QB . . 4.000 2.264 1.948 2.677 . 0 0 "[ . 1 . 2]" 1
279 1 23 ARG H 1 23 ARG QG . . 6.000 2.967 2.075 3.950 . 0 0 "[ . 1 . 2]" 1
280 1 22 THR MG 1 23 ARG H . . 6.500 3.476 3.251 3.620 . 0 0 "[ . 1 . 2]" 1
281 1 22 THR HA 1 23 ARG H . . 5.000 3.626 3.559 3.677 . 0 0 "[ . 1 . 2]" 1
282 1 19 TYR HA 1 23 ARG H . . 5.000 4.015 3.722 4.286 . 0 0 "[ . 1 . 2]" 1
283 1 23 ARG H 1 24 HIS H . . 4.000 2.690 2.567 2.823 . 0 0 "[ . 1 . 2]" 1
284 1 23 ARG HA 1 28 ASP QB . . 6.000 3.671 2.903 4.559 . 0 0 "[ . 1 . 2]" 1
285 1 23 ARG HA 1 26 ARG QB . . 5.000 2.960 2.326 4.226 . 0 0 "[ . 1 . 2]" 1
286 1 23 ARG HA 1 26 ARG QD . . 4.000 2.815 2.216 3.575 . 0 0 "[ . 1 . 2]" 1
287 1 23 ARG HA 1 26 ARG QG . . 5.000 3.552 2.092 4.501 . 0 0 "[ . 1 . 2]" 1
288 1 23 ARG QB 1 28 ASP QB . . 6.000 2.870 2.010 4.550 . 0 0 "[ . 1 . 2]" 1
289 1 23 ARG QG 1 28 ASP QB . . 7.000 2.965 1.875 4.111 0.025 1 0 "[ . 1 . 2]" 1
290 1 23 ARG QD 1 32 LEU MD1 . . 6.500 3.021 2.139 4.528 . 0 0 "[ . 1 . 2]" 1
291 1 23 ARG HE 1 32 LEU QD . . 7.900 3.617 2.029 5.724 . 0 0 "[ . 1 . 2]" 1
292 1 23 ARG HE 1 28 ASP QB . . 6.000 3.401 1.737 5.067 0.163 16 0 "[ . 1 . 2]" 1
293 1 24 HIS H 1 24 HIS QB . . 4.000 2.167 2.098 2.208 . 0 0 "[ . 1 . 2]" 1
294 1 23 ARG QG 1 24 HIS H . . 5.000 3.367 1.952 4.367 . 0 0 "[ . 1 . 2]" 1
295 1 23 ARG QB 1 24 HIS H . . 5.000 2.870 2.287 3.622 . 0 0 "[ . 1 . 2]" 1
296 1 21 LYS HA 1 24 HIS H . . 5.000 3.669 3.398 4.007 . 0 0 "[ . 1 . 2]" 1
297 1 24 HIS H 1 74 PHE HB3 . . 5.000 4.548 4.064 5.026 0.026 16 0 "[ . 1 . 2]" 1
298 1 23 ARG HA 1 24 HIS H . . 5.000 3.578 3.517 3.596 . 0 0 "[ . 1 . 2]" 1
299 1 24 HIS H 1 25 GLN H . . 3.000 2.597 2.374 2.750 . 0 0 "[ . 1 . 2]" 1
300 1 24 HIS HA 1 29 THR MG . . 4.500 2.886 2.137 3.850 . 0 0 "[ . 1 . 2]" 1
301 1 24 HIS HA 1 29 THR HA . . 3.000 2.296 2.113 3.004 0.004 16 0 "[ . 1 . 2]" 1
302 1 24 HIS HA 1 29 THR HB . . 5.000 3.937 2.699 4.934 . 0 0 "[ . 1 . 2]" 1
303 1 24 HIS QB 1 29 THR MG . . 7.500 3.878 3.339 4.882 . 0 0 "[ . 1 . 2]" 1
304 1 24 HIS QB 1 74 PHE HB3 . . 4.000 2.446 2.207 2.840 . 0 0 "[ . 1 . 2]" 1
305 1 24 HIS QB 1 74 PHE HB2 . . 5.000 3.540 3.151 4.208 . 0 0 "[ . 1 . 2]" 1
306 1 24 HIS HD2 1 76 PRO QB . . 6.000 3.965 3.424 4.926 . 0 0 "[ . 1 . 2]" 1
307 1 24 HIS HD2 1 76 PRO QG . . 6.000 4.994 4.557 5.353 . 0 0 "[ . 1 . 2]" 1
308 1 24 HIS HD2 1 25 GLN HA . . 5.000 3.360 2.878 3.760 . 0 0 "[ . 1 . 2]" 1
309 1 24 HIS HD2 1 25 GLN QG . . 6.000 4.164 2.510 5.367 . 0 0 "[ . 1 . 2]" 1
310 1 24 HIS HD2 1 29 THR MG . . 6.500 3.856 3.186 5.440 . 0 0 "[ . 1 . 2]" 1
311 1 24 HIS HD2 1 29 THR HA . . 5.000 4.987 4.703 5.091 0.091 13 0 "[ . 1 . 2]" 1
312 1 24 HIS HD2 1 29 THR HB . . 5.000 4.830 4.084 5.080 0.080 12 0 "[ . 1 . 2]" 1
313 1 24 HIS HD2 1 25 GLN QB . . 6.000 4.301 3.215 5.202 . 0 0 "[ . 1 . 2]" 1
314 1 21 LYS HA 1 24 HIS HD2 . . 5.000 4.679 4.095 5.016 0.016 8 0 "[ . 1 . 2]" 1
315 1 24 HIS HE1 1 76 PRO QB . . 6.000 3.877 3.429 4.695 . 0 0 "[ . 1 . 2]" 1
316 1 24 HIS HE1 1 76 PRO HA . . 5.000 4.973 4.652 5.062 0.062 1 0 "[ . 1 . 2]" 1
317 1 24 HIS HE1 1 76 PRO QG . . 6.000 2.795 2.138 3.725 . 0 0 "[ . 1 . 2]" 1
318 1 24 HIS HE1 1 76 PRO QD . . 6.000 3.003 2.444 3.586 . 0 0 "[ . 1 . 2]" 1
319 1 24 HIS HE1 1 29 THR MG . . 6.500 3.562 3.196 4.337 . 0 0 "[ . 1 . 2]" 1
320 1 24 HIS HE1 1 73 ALA MB . . 6.500 4.802 4.210 5.416 . 0 0 "[ . 1 . 2]" 1
321 1 24 HIS HE1 1 29 THR HA . . 5.000 4.010 3.382 4.505 . 0 0 "[ . 1 . 2]" 1
322 1 24 HIS HE1 1 29 THR HB . . 4.000 2.791 2.407 3.646 . 0 0 "[ . 1 . 2]" 1
323 1 24 HIS HE1 1 74 PHE QD . . 7.000 3.625 3.105 4.223 . 0 0 "[ . 1 . 2]" 1
324 1 24 HIS HE1 1 74 PHE QE . . 7.000 5.017 4.545 5.493 . 0 0 "[ . 1 . 2]" 1
325 1 24 HIS HD2 1 74 PHE QD . . 6.000 3.294 2.877 3.731 . 0 0 "[ . 1 . 2]" 1
326 1 24 HIS HD2 1 74 PHE QE . . 6.000 2.986 2.732 3.373 . 0 0 "[ . 1 . 2]" 1
327 1 24 HIS HD2 1 74 PHE HZ . . 5.000 5.066 5.031 5.102 0.102 12 0 "[ . 1 . 2]" 1
328 1 25 GLN H 1 25 GLN QB . . 4.000 2.196 2.026 2.321 . 0 0 "[ . 1 . 2]" 1
329 1 25 GLN H 1 25 GLN QG . . 5.000 3.450 2.387 4.042 . 0 0 "[ . 1 . 2]" 1
330 1 24 HIS QB 1 25 GLN H . . 4.000 2.666 2.283 3.057 . 0 0 "[ . 1 . 2]" 1
331 1 22 THR HA 1 25 GLN H . . 5.000 3.367 3.250 3.733 . 0 0 "[ . 1 . 2]" 1
332 1 24 HIS HA 1 25 GLN H . . 5.000 3.561 3.486 3.603 . 0 0 "[ . 1 . 2]" 1
333 1 21 LYS QD 1 25 GLN QG . . 7.000 4.378 3.414 5.573 . 0 0 "[ . 1 . 2]" 1
334 1 21 LYS QD 1 25 GLN QE . . 7.000 4.386 2.321 5.562 . 0 0 "[ . 1 . 2]" 1
335 1 21 LYS QE 1 25 GLN QE . . 7.000 4.363 2.324 5.559 . 0 0 "[ . 1 . 2]" 1
336 1 26 ARG H 1 26 ARG QB . . 5.000 2.483 2.130 2.845 . 0 0 "[ . 1 . 2]" 1
337 1 26 ARG H 1 26 ARG QG . . 5.000 3.126 1.953 4.290 . 0 0 "[ . 1 . 2]" 1
338 1 25 GLN QB 1 26 ARG H . . 6.000 3.113 2.457 4.052 . 0 0 "[ . 1 . 2]" 1
339 1 24 HIS HA 1 26 ARG H . . 5.000 4.124 3.423 4.656 . 0 0 "[ . 1 . 2]" 1
340 1 23 ARG HA 1 26 ARG H . . 5.000 3.793 3.065 5.020 0.020 3 0 "[ . 1 . 2]" 1
341 1 25 GLN HA 1 26 ARG H . . 5.000 3.332 2.589 3.641 . 0 0 "[ . 1 . 2]" 1
342 1 26 ARG H 1 27 GLY H . . 3.000 2.551 2.000 3.086 0.086 13 0 "[ . 1 . 2]" 1
343 1 25 GLN H 1 26 ARG H . . 4.000 2.865 2.363 3.598 . 0 0 "[ . 1 . 2]" 1
344 1 26 ARG H 1 28 ASP H . . 5.000 4.089 3.314 4.514 . 0 0 "[ . 1 . 2]" 1
345 1 27 GLY H 1 29 THR MG . . 6.500 3.723 3.238 4.680 . 0 0 "[ . 1 . 2]" 1
346 1 26 ARG QG 1 27 GLY H . . 6.000 3.587 2.070 4.528 . 0 0 "[ . 1 . 2]" 1
347 1 26 ARG QB 1 27 GLY H . . 6.000 2.885 2.337 4.102 . 0 0 "[ . 1 . 2]" 1
348 1 24 HIS HA 1 27 GLY H . . 5.000 3.717 3.460 4.478 . 0 0 "[ . 1 . 2]" 1
349 1 25 GLN HA 1 27 GLY H . . 5.000 4.602 3.727 5.036 0.036 6 0 "[ . 1 . 2]" 1
350 1 27 GLY H 1 28 ASP H . . 3.000 2.098 1.843 3.087 0.087 9 0 "[ . 1 . 2]" 1
351 1 27 GLY QA 1 29 THR MG . . 6.500 3.019 2.634 3.346 . 0 0 "[ . 1 . 2]" 1
352 1 28 ASP H 1 28 ASP QB . . 4.000 2.293 2.087 2.673 . 0 0 "[ . 1 . 2]" 1
353 1 28 ASP H 1 29 THR MG . . 6.500 4.078 2.902 4.602 . 0 0 "[ . 1 . 2]" 1
354 1 26 ARG QG 1 28 ASP H . . 6.000 4.064 2.080 5.367 . 0 0 "[ . 1 . 2]" 1
355 1 26 ARG QB 1 28 ASP H . . 6.000 3.473 2.750 4.987 . 0 0 "[ . 1 . 2]" 1
356 1 27 GLY QA 1 28 ASP H . . 6.000 2.833 2.648 2.966 . 0 0 "[ . 1 . 2]" 1
357 1 24 HIS HA 1 28 ASP H . . 5.000 3.915 2.669 4.343 . 0 0 "[ . 1 . 2]" 1
358 1 28 ASP HA 1 29 THR MG . . 6.500 4.087 3.760 4.328 . 0 0 "[ . 1 . 2]" 1
359 1 29 THR H 1 29 THR MG . . 4.500 2.148 1.719 2.478 0.181 2 0 "[ . 1 . 2]" 1
360 1 28 ASP QB 1 29 THR H . . 6.000 3.983 3.912 4.087 . 0 0 "[ . 1 . 2]" 1
361 1 28 ASP HA 1 29 THR H . . 3.000 2.515 2.362 2.792 . 0 0 "[ . 1 . 2]" 1
362 1 29 THR H 1 30 HIS H . . 4.000 2.572 2.019 3.732 . 0 0 "[ . 1 . 2]" 1
363 1 28 ASP H 1 29 THR H . . 5.000 3.710 2.820 3.996 . 0 0 "[ . 1 . 2]" 1
364 1 30 HIS H 1 30 HIS QB . . 5.000 2.269 2.158 2.915 . 0 0 "[ . 1 . 2]" 1
365 1 29 THR MG 1 30 HIS H . . 6.500 3.871 2.815 4.370 . 0 0 "[ . 1 . 2]" 1
366 1 30 HIS H 1 31 PRO QD . . 6.000 4.343 4.283 4.363 . 0 0 "[ . 1 . 2]" 1
367 1 29 THR HA 1 30 HIS H . . 5.000 3.332 2.539 3.526 . 0 0 "[ . 1 . 2]" 1
368 1 28 ASP HA 1 30 HIS H . . 4.000 3.151 2.869 4.056 0.056 13 0 "[ . 1 . 2]" 1
369 1 30 HIS HA 1 31 PRO QG . . 6.000 3.952 3.906 4.001 . 0 0 "[ . 1 . 2]" 1
370 1 30 HIS HA 1 31 PRO QD . . 4.000 1.991 1.959 2.021 . 0 0 "[ . 1 . 2]" 1
371 1 30 HIS QB 1 31 PRO QD . . 6.000 2.168 2.026 2.281 . 0 0 "[ . 1 . 2]" 1
372 1 30 HIS HD2 1 32 LEU MD2 . . 6.500 3.718 3.552 3.965 . 0 0 "[ . 1 . 2]" 1
373 1 30 HIS HD2 1 31 PRO QD . . 6.000 3.612 3.184 4.774 . 0 0 "[ . 1 . 2]" 1
374 1 30 HIS HD2 1 32 LEU HA . . 5.000 5.024 5.009 5.067 0.067 6 0 "[ . 1 . 2]" 1
375 1 30 HIS HE1 1 32 LEU MD2 . . 6.500 2.444 2.256 2.926 . 0 0 "[ . 1 . 2]" 1
376 1 28 ASP QB 1 30 HIS HE1 . . 6.000 3.836 2.668 5.363 . 0 0 "[ . 1 . 2]" 1
377 1 28 ASP HA 1 30 HIS HE1 . . 5.000 4.968 4.491 5.083 0.083 12 0 "[ . 1 . 2]" 1
378 1 30 HIS HE1 1 32 LEU HA . . 5.000 5.046 5.022 5.063 0.063 6 0 "[ . 1 . 2]" 1
379 1 31 PRO HA 1 73 ALA MB . . 4.500 2.281 2.106 2.600 . 0 0 "[ . 1 . 2]" 1
380 1 31 PRO QB 1 68 ILE MG . . 6.500 3.797 3.048 4.722 . 0 0 "[ . 1 . 2]" 1
381 1 31 PRO QB 1 71 LYS HB3 . . 5.000 2.735 2.054 3.464 . 0 0 "[ . 1 . 2]" 1
382 1 31 PRO QB 1 71 LYS HB2 . . 5.000 2.054 1.946 2.184 . 0 0 "[ . 1 . 2]" 1
383 1 31 PRO QB 1 73 ALA MB . . 5.500 2.163 1.986 2.513 . 0 0 "[ . 1 . 2]" 1
384 1 31 PRO QG 1 68 ILE MG . . 6.500 2.661 2.030 3.452 . 0 0 "[ . 1 . 2]" 1
385 1 31 PRO QG 1 68 ILE MD . . 6.500 3.117 2.197 4.445 . 0 0 "[ . 1 . 2]" 1
386 1 31 PRO QG 1 73 ALA MB . . 6.500 2.956 2.467 3.626 . 0 0 "[ . 1 . 2]" 1
387 1 31 PRO QD 1 68 ILE MG . . 7.500 3.936 3.448 4.955 . 0 0 "[ . 1 . 2]" 1
388 1 31 PRO QD 1 68 ILE MD . . 7.500 4.085 2.933 5.532 . 0 0 "[ . 1 . 2]" 1
389 1 31 PRO QD 1 73 ALA MB . . 7.500 3.255 2.718 3.856 . 0 0 "[ . 1 . 2]" 1
390 1 32 LEU H 1 32 LEU HB2 . . 3.000 2.559 2.260 2.640 . 0 0 "[ . 1 . 2]" 1
391 1 32 LEU H 1 32 LEU HB3 . . 4.000 3.699 3.539 3.736 . 0 0 "[ . 1 . 2]" 1
392 1 32 LEU H 1 37 ILE MD . . 6.500 3.762 3.204 4.361 . 0 0 "[ . 1 . 2]" 1
393 1 32 LEU H 1 73 ALA MB . . 6.500 3.943 3.524 4.256 . 0 0 "[ . 1 . 2]" 1
394 1 32 LEU H 1 71 LYS HB3 . . 5.000 3.241 2.579 4.305 . 0 0 "[ . 1 . 2]" 1
395 1 32 LEU H 1 71 LYS HB2 . . 5.000 3.916 3.118 4.477 . 0 0 "[ . 1 . 2]" 1
396 1 20 MET ME 1 32 LEU H . . 6.500 3.297 2.586 5.414 . 0 0 "[ . 1 . 2]" 1
397 1 32 LEU H 1 72 TYR H . . 4.000 2.921 2.672 3.499 . 0 0 "[ . 1 . 2]" 1
398 1 32 LEU HA 1 71 LYS HB3 . . 5.000 3.495 2.937 4.048 . 0 0 "[ . 1 . 2]" 1
399 1 32 LEU HA 1 71 LYS HB2 . . 5.000 4.562 4.379 4.711 . 0 0 "[ . 1 . 2]" 1
400 1 32 LEU HA 1 36 GLU HB3 . . 5.000 4.281 3.892 4.650 . 0 0 "[ . 1 . 2]" 1
401 1 32 LEU HA 1 36 GLU HB2 . . 5.000 3.804 3.543 4.150 . 0 0 "[ . 1 . 2]" 1
402 1 32 LEU HA 1 33 THR HA . . 6.500 4.420 4.391 4.445 . 0 0 "[ . 1 . 2]" 1
403 1 32 LEU HB2 1 36 GLU HB3 . . 5.000 4.409 3.914 4.667 . 0 0 "[ . 1 . 2]" 1
404 1 32 LEU HB2 1 36 GLU HB2 . . 5.000 4.242 3.927 4.416 . 0 0 "[ . 1 . 2]" 1
405 1 32 LEU HB3 1 36 GLU HB3 . . 3.000 2.760 2.306 3.039 0.039 20 0 "[ . 1 . 2]" 1
406 1 32 LEU HB3 1 36 GLU HB2 . . 4.000 2.511 2.327 2.656 . 0 0 "[ . 1 . 2]" 1
407 1 32 LEU HB2 1 37 ILE QG . . 6.000 2.657 2.285 3.069 . 0 0 "[ . 1 . 2]" 1
408 1 32 LEU HB3 1 37 ILE QG . . 6.000 2.499 2.298 2.769 . 0 0 "[ . 1 . 2]" 1
409 1 32 LEU MD2 1 36 GLU HB3 . . 4.500 2.289 2.128 2.627 . 0 0 "[ . 1 . 2]" 1
410 1 32 LEU MD2 1 36 GLU HB2 . . 4.500 2.862 2.653 3.385 . 0 0 "[ . 1 . 2]" 1
411 1 32 LEU MD1 1 37 ILE QG . . 7.500 2.990 2.561 3.241 . 0 0 "[ . 1 . 2]" 1
412 1 32 LEU MD1 1 36 GLU HB3 . . 4.500 2.585 2.505 2.706 . 0 0 "[ . 1 . 2]" 1
413 1 32 LEU MD1 1 36 GLU HB2 . . 4.500 3.606 3.415 3.758 . 0 0 "[ . 1 . 2]" 1
414 1 32 LEU MD1 1 37 ILE HA . . 5.500 3.479 3.208 3.726 . 0 0 "[ . 1 . 2]" 1
415 1 31 PRO HA 1 32 LEU MD1 . . 6.500 5.251 5.054 5.446 . 0 0 "[ . 1 . 2]" 1
416 1 33 THR H 1 33 THR MG . . 4.500 2.087 1.953 2.226 . 0 0 "[ . 1 . 2]" 1
417 1 32 LEU QD 1 33 THR H . . 7.900 2.965 2.787 3.213 . 0 0 "[ . 1 . 2]" 1
418 1 33 THR H 1 71 LYS HB2 . . 5.000 5.058 5.010 5.105 0.105 9 0 "[ . 1 . 2]" 1
419 1 32 LEU HB2 1 33 THR H . . 5.000 4.197 4.082 4.319 . 0 0 "[ . 1 . 2]" 1
420 1 32 LEU HB3 1 33 THR H . . 4.000 3.014 2.804 3.217 . 0 0 "[ . 1 . 2]" 1
421 1 33 THR H 1 36 GLU HB3 . . 5.000 3.826 3.622 4.037 . 0 0 "[ . 1 . 2]" 1
422 1 33 THR H 1 36 GLU HB2 . . 5.000 2.549 2.351 2.698 . 0 0 "[ . 1 . 2]" 1
423 1 33 THR H 1 36 GLU QG . . 6.000 3.634 3.341 3.773 . 0 0 "[ . 1 . 2]" 1
424 1 32 LEU HA 1 33 THR H . . 3.000 2.283 2.230 2.372 . 0 0 "[ . 1 . 2]" 1
425 1 33 THR H 1 36 GLU H . . 5.000 3.959 3.804 4.140 . 0 0 "[ . 1 . 2]" 1
426 1 33 THR HA 1 71 LYS QD . . 4.000 3.414 2.637 3.650 . 0 0 "[ . 1 . 2]" 1
427 1 33 THR HA 1 71 LYS HB3 . . 5.000 3.052 2.254 3.789 . 0 0 "[ . 1 . 2]" 1
428 1 33 THR HA 1 71 LYS HA . . 3.000 2.682 2.227 3.126 0.126 2 0 "[ . 1 . 2]" 1
429 1 33 THR HB 1 35 ASP HB2 . . 5.000 4.047 3.764 4.811 . 0 0 "[ . 1 . 2]" 1
430 1 32 LEU MD2 1 33 THR MG . . 8.000 4.096 3.900 4.275 . 0 0 "[ . 1 . 2]" 1
431 1 33 THR MG 1 71 LYS QD . . 5.500 2.145 1.869 2.743 0.031 8 0 "[ . 1 . 2]" 1
432 1 33 THR MG 1 71 LYS QE . . 5.500 2.871 2.047 3.858 . 0 0 "[ . 1 . 2]" 1
433 1 33 THR MG 1 71 LYS HA . . 5.500 3.619 2.716 4.242 . 0 0 "[ . 1 . 2]" 1
434 1 34 LEU H 1 34 LEU HB2 . . 3.000 2.170 2.110 2.361 . 0 0 "[ . 1 . 2]" 1
435 1 34 LEU H 1 34 LEU HB3 . . 3.000 2.820 2.562 2.897 . 0 0 "[ . 1 . 2]" 1
436 1 34 LEU H 1 34 LEU HG . . 5.000 4.461 4.062 4.571 . 0 0 "[ . 1 . 2]" 1
437 1 34 LEU H 1 34 LEU QD . . 8.900 3.496 3.379 3.716 . 0 0 "[ . 1 . 2]" 1
438 1 33 THR MG 1 34 LEU H . . 6.500 3.727 3.607 3.798 . 0 0 "[ . 1 . 2]" 1
439 1 33 THR HA 1 34 LEU H . . 4.000 2.484 2.440 2.543 . 0 0 "[ . 1 . 2]" 1
440 1 33 THR HB 1 34 LEU H . . 4.000 2.342 2.226 2.413 . 0 0 "[ . 1 . 2]" 1
441 1 34 LEU H 1 72 TYR QE . . 5.000 3.543 2.712 4.118 . 0 0 "[ . 1 . 2]" 1
442 1 34 LEU H 1 72 TYR QD . . 6.000 3.470 3.030 3.750 . 0 0 "[ . 1 . 2]" 1
443 1 34 LEU H 1 35 ASP H . . 4.000 2.794 2.686 2.876 . 0 0 "[ . 1 . 2]" 1
444 1 34 LEU HA 1 37 ILE MG . . 5.500 4.099 3.682 4.340 . 0 0 "[ . 1 . 2]" 1
445 1 34 LEU HA 1 37 ILE MD . . 4.500 2.430 2.275 2.575 . 0 0 "[ . 1 . 2]" 1
446 1 34 LEU HA 1 37 ILE HB . . 3.000 2.849 2.465 3.060 0.060 12 0 "[ . 1 . 2]" 1
447 1 34 LEU HG 1 59 LEU MD1 . . 5.500 3.988 2.475 4.502 . 0 0 "[ . 1 . 2]" 1
448 1 34 LEU HG 1 51 LYS QG . . 6.000 3.464 2.469 4.557 . 0 0 "[ . 1 . 2]" 1
449 1 34 LEU HG 1 55 MET QB . . 5.000 3.423 2.470 4.465 . 0 0 "[ . 1 . 2]" 1
450 1 34 LEU HG 1 54 LEU HB2 . . 5.000 4.260 3.060 5.005 0.005 2 0 "[ . 1 . 2]" 1
451 1 34 LEU HG 1 55 MET QG . . 5.000 3.446 2.125 4.467 . 0 0 "[ . 1 . 2]" 1
452 1 34 LEU HG 1 51 LYS HA . . 5.000 4.720 3.865 5.074 0.074 9 0 "[ . 1 . 2]" 1
453 1 34 LEU HG 1 55 MET HA . . 5.000 4.188 3.675 5.013 0.013 17 0 "[ . 1 . 2]" 1
454 1 34 LEU QD 1 59 LEU MD1 . . 8.400 2.231 1.928 3.568 . 0 0 "[ . 1 . 2]" 1
455 1 34 LEU QD 1 59 LEU MD2 . . 10.400 4.151 3.758 5.215 . 0 0 "[ . 1 . 2]" 1
456 1 34 LEU QD 1 37 ILE MG . . 10.400 3.311 2.841 3.784 . 0 0 "[ . 1 . 2]" 1
457 1 34 LEU QD 1 38 LEU HB3 . . 8.900 4.451 4.257 4.690 . 0 0 "[ . 1 . 2]" 1
458 1 34 LEU QD 1 38 LEU HG . . 7.900 2.163 1.972 2.448 . 0 0 "[ . 1 . 2]" 1
459 1 34 LEU QD 1 54 LEU HB2 . . 8.900 2.792 2.257 3.280 . 0 0 "[ . 1 . 2]" 1
460 1 34 LEU QD 1 72 TYR QB . . 9.900 4.199 3.579 5.469 . 0 0 "[ . 1 . 2]" 1
461 1 34 LEU QD 1 51 LYS HA . . 7.400 3.156 2.567 3.600 . 0 0 "[ . 1 . 2]" 1
462 1 34 LEU QD 1 55 MET HA . . 8.900 2.742 2.196 4.103 . 0 0 "[ . 1 . 2]" 1
463 1 35 ASP H 1 35 ASP HB2 . . 3.000 2.452 2.168 2.581 . 0 0 "[ . 1 . 2]" 1
464 1 35 ASP H 1 35 ASP HB3 . . 4.000 3.420 2.566 3.572 . 0 0 "[ . 1 . 2]" 1
465 1 34 LEU QD 1 35 ASP H . . 8.900 3.394 2.981 3.624 . 0 0 "[ . 1 . 2]" 1
466 1 34 LEU HG 1 35 ASP H . . 5.000 4.766 4.565 4.920 . 0 0 "[ . 1 . 2]" 1
467 1 33 THR MG 1 35 ASP H . . 6.500 4.578 4.420 4.772 . 0 0 "[ . 1 . 2]" 1
468 1 34 LEU HB2 1 35 ASP H . . 4.000 3.504 3.392 3.756 . 0 0 "[ . 1 . 2]" 1
469 1 34 LEU HB3 1 35 ASP H . . 3.000 2.388 2.242 2.583 . 0 0 "[ . 1 . 2]" 1
470 1 34 LEU HA 1 35 ASP H . . 5.000 3.615 3.596 3.629 . 0 0 "[ . 1 . 2]" 1
471 1 33 THR HB 1 35 ASP H . . 4.000 3.106 2.896 3.340 . 0 0 "[ . 1 . 2]" 1
472 1 35 ASP H 1 36 GLU H . . 4.000 2.869 2.787 2.955 . 0 0 "[ . 1 . 2]" 1
473 1 35 ASP HA 1 38 LEU MD2 . . 6.500 4.429 3.793 5.348 . 0 0 "[ . 1 . 2]" 1
474 1 35 ASP HA 1 38 LEU MD1 . . 4.500 2.598 2.165 3.244 . 0 0 "[ . 1 . 2]" 1
475 1 35 ASP HA 1 38 LEU HB3 . . 5.000 4.314 3.958 4.945 . 0 0 "[ . 1 . 2]" 1
476 1 35 ASP HA 1 38 LEU HB2 . . 4.000 2.773 2.375 3.234 . 0 0 "[ . 1 . 2]" 1
477 1 35 ASP HA 1 38 LEU HG . . 5.000 2.902 2.206 4.109 . 0 0 "[ . 1 . 2]" 1
478 1 36 GLU H 1 36 GLU HB2 . . 3.000 2.308 2.269 2.354 . 0 0 "[ . 1 . 2]" 1
479 1 36 GLU H 1 36 GLU HB3 . . 4.000 3.562 3.545 3.573 . 0 0 "[ . 1 . 2]" 1
480 1 36 GLU H 1 36 GLU QG . . 5.000 2.409 2.224 2.586 . 0 0 "[ . 1 . 2]" 1
481 1 32 LEU QD 1 36 GLU H . . 7.900 4.536 4.401 4.810 . 0 0 "[ . 1 . 2]" 1
482 1 33 THR MG 1 36 GLU H . . 6.500 4.141 3.900 4.241 . 0 0 "[ . 1 . 2]" 1
483 1 32 LEU HB3 1 36 GLU H . . 5.000 4.620 4.466 4.751 . 0 0 "[ . 1 . 2]" 1
484 1 35 ASP HB3 1 36 GLU H . . 5.000 3.432 2.295 3.766 . 0 0 "[ . 1 . 2]" 1
485 1 35 ASP HA 1 36 GLU H . . 5.000 3.624 3.615 3.634 . 0 0 "[ . 1 . 2]" 1
486 1 36 GLU H 1 37 ILE H . . 4.000 2.787 2.718 2.885 . 0 0 "[ . 1 . 2]" 1
487 1 35 ASP HB3 1 36 GLU HA . . 5.000 4.439 4.142 4.595 . 0 0 "[ . 1 . 2]" 1
488 1 32 LEU MD1 1 36 GLU HA . . 5.500 4.613 4.596 4.634 . 0 0 "[ . 1 . 2]" 1
489 1 32 LEU MD2 1 36 GLU QG . . 7.500 3.240 2.845 3.486 . 0 0 "[ . 1 . 2]" 1
490 1 37 ILE H 1 37 ILE HB . . 3.000 2.269 2.214 2.333 . 0 0 "[ . 1 . 2]" 1
491 1 37 ILE H 1 37 ILE QG . . 5.000 2.495 2.298 2.635 . 0 0 "[ . 1 . 2]" 1
492 1 37 ILE H 1 37 ILE MG . . 6.500 3.690 3.655 3.719 . 0 0 "[ . 1 . 2]" 1
493 1 34 LEU QD 1 37 ILE H . . 8.900 4.040 3.851 4.393 . 0 0 "[ . 1 . 2]" 1
494 1 32 LEU HB3 1 37 ILE H . . 5.000 3.636 3.341 3.906 . 0 0 "[ . 1 . 2]" 1
495 1 36 GLU HB2 1 37 ILE H . . 3.000 2.797 2.606 3.014 0.014 19 0 "[ . 1 . 2]" 1
496 1 37 ILE H 1 38 LEU H . . 3.000 2.692 2.516 2.962 . 0 0 "[ . 1 . 2]" 1
497 1 34 LEU QD 1 37 ILE HA . . 8.900 5.312 5.051 5.700 . 0 0 "[ . 1 . 2]" 1
498 1 37 ILE HA 1 40 GLU HB2 . . 4.000 3.512 3.288 4.061 0.061 7 0 "[ . 1 . 2]" 1
499 1 37 ILE HA 1 40 GLU HB3 . . 5.000 4.762 3.558 5.044 0.044 14 0 "[ . 1 . 2]" 1
500 1 37 ILE HA 1 40 GLU QG . . 6.000 4.531 3.605 5.382 . 0 0 "[ . 1 . 2]" 1
501 1 34 LEU QD 1 37 ILE HB . . 6.900 2.988 2.730 3.416 . 0 0 "[ . 1 . 2]" 1
502 1 20 MET QG 1 37 ILE QG . . 7.000 2.928 2.667 3.293 . 0 0 "[ . 1 . 2]" 1
503 1 37 ILE MG 1 59 LEU MD1 . . 8.000 3.409 2.954 3.965 . 0 0 "[ . 1 . 2]" 1
504 1 16 ILE MD 1 37 ILE MG . . 8.000 2.740 2.388 2.983 . 0 0 "[ . 1 . 2]" 1
505 1 16 ILE QG 1 37 ILE MG . . 6.500 2.317 2.063 2.768 . 0 0 "[ . 1 . 2]" 1
506 1 20 MET QG 1 37 ILE MG . . 7.500 3.378 3.059 3.966 . 0 0 "[ . 1 . 2]" 1
507 1 16 ILE HA 1 37 ILE MG . . 5.500 3.482 3.153 3.821 . 0 0 "[ . 1 . 2]" 1
508 1 37 ILE MG 1 38 LEU HA . . 5.500 3.177 2.924 3.298 . 0 0 "[ . 1 . 2]" 1
509 1 37 ILE MD 1 59 LEU MD1 . . 8.000 2.715 2.504 3.063 . 0 0 "[ . 1 . 2]" 1
510 1 37 ILE MD 1 59 LEU MD2 . . 8.000 3.625 3.121 3.988 . 0 0 "[ . 1 . 2]" 1
511 1 32 LEU HB2 1 37 ILE MD . . 5.500 3.081 2.828 3.416 . 0 0 "[ . 1 . 2]" 1
512 1 32 LEU HB3 1 37 ILE MD . . 6.500 3.603 3.367 3.893 . 0 0 "[ . 1 . 2]" 1
513 1 20 MET QG 1 37 ILE MD . . 7.500 3.379 3.109 3.863 . 0 0 "[ . 1 . 2]" 1
514 1 37 ILE MD 1 72 TYR QB . . 5.500 2.173 1.951 2.618 . 0 0 "[ . 1 . 2]" 1
515 1 32 LEU HA 1 37 ILE MD . . 6.500 4.962 4.725 5.278 . 0 0 "[ . 1 . 2]" 1
516 1 37 ILE MD 1 72 TYR HA . . 6.500 4.674 4.349 5.214 . 0 0 "[ . 1 . 2]" 1
517 1 38 LEU H 1 38 LEU HB3 . . 4.000 3.609 3.578 3.631 . 0 0 "[ . 1 . 2]" 1
518 1 38 LEU H 1 38 LEU HB2 . . 3.000 2.557 2.418 2.752 . 0 0 "[ . 1 . 2]" 1
519 1 38 LEU H 1 38 LEU HG . . 3.000 2.158 1.878 2.464 0.022 8 0 "[ . 1 . 2]" 1
520 1 38 LEU H 1 38 LEU MD2 . . 5.500 3.042 2.755 3.404 . 0 0 "[ . 1 . 2]" 1
521 1 37 ILE MG 1 38 LEU H . . 5.500 3.068 2.560 3.297 . 0 0 "[ . 1 . 2]" 1
522 1 37 ILE HB 1 38 LEU H . . 3.000 2.665 2.424 2.799 . 0 0 "[ . 1 . 2]" 1
523 1 37 ILE HA 1 38 LEU H . . 5.000 3.626 3.603 3.644 . 0 0 "[ . 1 . 2]" 1
524 1 36 GLU HA 1 38 LEU H . . 5.000 4.663 4.430 5.021 0.021 20 0 "[ . 1 . 2]" 1
525 1 35 ASP HA 1 38 LEU H . . 5.000 3.311 3.082 3.789 . 0 0 "[ . 1 . 2]" 1
526 1 38 LEU H 1 39 ASP H . . 4.000 2.864 2.698 3.078 . 0 0 "[ . 1 . 2]" 1
527 1 38 LEU HA 1 43 HIS QB . . 6.000 2.824 2.183 5.354 . 0 0 "[ . 1 . 2]" 1
528 1 38 LEU HB3 1 44 LEU HA . . 4.000 2.244 1.939 2.698 . 0 0 "[ . 1 . 2]" 1
529 1 38 LEU HB2 1 44 LEU HA . . 4.000 3.134 2.674 3.785 . 0 0 "[ . 1 . 2]" 1
530 1 38 LEU HG 1 44 LEU HG . . 5.000 5.060 5.019 5.092 0.092 19 0 "[ . 1 . 2]" 1
531 1 34 LEU HA 1 38 LEU HG . . 5.000 4.288 4.050 4.617 . 0 0 "[ . 1 . 2]" 1
532 1 38 LEU MD2 1 54 LEU MD1 . . 7.000 2.652 2.220 2.960 . 0 0 "[ . 1 . 2]" 1
533 1 38 LEU MD2 1 54 LEU HG . . 6.500 5.199 4.706 5.434 . 0 0 "[ . 1 . 2]" 1
534 1 38 LEU MD2 1 54 LEU HB2 . . 6.500 4.488 4.205 4.837 . 0 0 "[ . 1 . 2]" 1
535 1 38 LEU MD2 1 43 HIS QB . . 5.500 2.231 1.936 3.785 . 0 0 "[ . 1 . 2]" 1
536 1 34 LEU HA 1 38 LEU MD2 . . 6.500 4.807 4.478 5.153 . 0 0 "[ . 1 . 2]" 1
537 1 38 LEU MD1 1 51 LYS QE . . 6.500 2.667 1.874 4.825 0.026 5 0 "[ . 1 . 2]" 1
538 1 34 LEU HA 1 38 LEU MD1 . . 6.500 5.070 4.703 5.400 . 0 0 "[ . 1 . 2]" 1
539 1 39 ASP H 1 39 ASP QB . . 4.000 2.218 2.070 2.364 . 0 0 "[ . 1 . 2]" 1
540 1 39 ASP H 1 44 LEU QD . . 8.900 3.492 3.243 3.740 . 0 0 "[ . 1 . 2]" 1
541 1 38 LEU HB3 1 39 ASP H . . 4.000 3.531 3.071 4.017 0.017 12 0 "[ . 1 . 2]" 1
542 1 38 LEU HB2 1 39 ASP H . . 3.000 2.476 2.163 2.945 . 0 0 "[ . 1 . 2]" 1
543 1 38 LEU HA 1 39 ASP H . . 5.000 3.598 3.556 3.618 . 0 0 "[ . 1 . 2]" 1
544 1 36 GLU HA 1 39 ASP H . . 5.000 3.761 3.498 4.087 . 0 0 "[ . 1 . 2]" 1
545 1 39 ASP HA 1 44 LEU QD . . 6.900 2.247 1.949 2.646 . 0 0 "[ . 1 . 2]" 1
546 1 39 ASP HA 1 44 LEU HG . . 3.000 2.893 2.680 3.058 0.058 12 0 "[ . 1 . 2]" 1
547 1 36 GLU HA 1 39 ASP QB . . 4.000 3.015 2.456 3.592 . 0 0 "[ . 1 . 2]" 1
548 1 40 GLU H 1 40 GLU HB2 . . 3.000 2.292 2.082 2.463 . 0 0 "[ . 1 . 2]" 1
549 1 40 GLU H 1 40 GLU HB3 . . 4.000 3.385 2.689 3.571 . 0 0 "[ . 1 . 2]" 1
550 1 40 GLU H 1 40 GLU QG . . 5.000 2.816 2.190 3.994 . 0 0 "[ . 1 . 2]" 1
551 1 39 ASP QB 1 40 GLU H . . 5.000 2.317 2.143 3.369 . 0 0 "[ . 1 . 2]" 1
552 1 39 ASP HA 1 40 GLU H . . 5.000 3.617 3.584 3.642 . 0 0 "[ . 1 . 2]" 1
553 1 40 GLU H 1 41 THR H . . 4.000 2.792 2.551 3.085 . 0 0 "[ . 1 . 2]" 1
554 1 32 LEU MD2 1 40 GLU QG . . 9.900 5.612 4.652 7.343 . 0 0 "[ . 1 . 2]" 1
555 1 39 ASP QB 1 40 GLU QG . . 7.000 3.736 2.860 5.572 . 0 0 "[ . 1 . 2]" 1
556 1 41 THR H 1 41 THR MG . . 5.500 2.766 2.232 3.787 . 0 0 "[ . 1 . 2]" 1
557 1 40 GLU HB2 1 41 THR H . . 5.000 2.983 2.207 4.192 . 0 0 "[ . 1 . 2]" 1
558 1 40 GLU HB3 1 41 THR H . . 5.000 3.383 2.455 3.961 . 0 0 "[ . 1 . 2]" 1
559 1 38 LEU HA 1 41 THR H . . 5.000 3.697 3.249 4.273 . 0 0 "[ . 1 . 2]" 1
560 1 41 THR H 1 42 GLN H . . 4.000 2.826 1.977 4.062 0.062 2 0 "[ . 1 . 2]" 1
561 1 40 GLU HB3 1 41 THR HA . . 5.000 4.362 3.992 4.733 . 0 0 "[ . 1 . 2]" 1
562 1 15 LYS QE 1 41 THR HA . . 6.000 3.939 2.390 5.208 . 0 0 "[ . 1 . 2]" 1
563 1 16 ILE MD 1 41 THR HB . . 6.500 4.342 4.083 4.792 . 0 0 "[ . 1 . 2]" 1
564 1 15 LYS QG 1 41 THR HB . . 6.000 3.875 2.569 5.395 . 0 0 "[ . 1 . 2]" 1
565 1 16 ILE QG 1 41 THR HB . . 6.000 3.108 2.892 3.552 . 0 0 "[ . 1 . 2]" 1
566 1 15 LYS QB 1 41 THR HB . . 6.000 3.866 2.765 5.350 . 0 0 "[ . 1 . 2]" 1
567 1 15 LYS QE 1 41 THR HB . . 6.000 4.022 2.516 5.361 . 0 0 "[ . 1 . 2]" 1
568 1 16 ILE MD 1 41 THR MG . . 8.000 3.795 3.529 4.606 . 0 0 "[ . 1 . 2]" 1
569 1 15 LYS QG 1 41 THR MG . . 7.500 3.121 1.853 5.038 0.047 20 0 "[ . 1 . 2]" 1
570 1 15 LYS QD 1 41 THR MG . . 7.500 4.035 2.930 5.017 . 0 0 "[ . 1 . 2]" 1
571 1 15 LYS QB 1 41 THR MG . . 7.500 3.339 2.036 3.866 . 0 0 "[ . 1 . 2]" 1
572 1 16 ILE HA 1 41 THR MG . . 4.500 2.133 1.957 2.973 . 0 0 "[ . 1 . 2]" 1
573 1 42 GLN H 1 42 GLN QB . . 5.000 3.126 2.197 3.528 . 0 0 "[ . 1 . 2]" 1
574 1 42 GLN H 1 42 GLN QG . . 6.000 3.523 2.142 4.564 . 0 0 "[ . 1 . 2]" 1
575 1 12 VAL QG 1 42 GLN QG . . 9.900 6.527 6.075 6.567 . 0 0 "[ . 1 . 2]" 1
576 1 12 VAL QG 1 42 GLN QE . . 9.900 6.150 5.400 6.569 . 0 0 "[ . 1 . 2]" 1
577 1 42 GLN HA 1 43 HIS H . . 5.000 2.959 2.298 3.631 . 0 0 "[ . 1 . 2]" 1
578 1 38 LEU MD2 1 43 HIS HA . . 6.500 4.409 4.182 5.267 . 0 0 "[ . 1 . 2]" 1
579 1 43 HIS HA 1 46 ILE MG . . 5.500 4.565 4.310 4.624 . 0 0 "[ . 1 . 2]" 1
580 1 43 HIS QB 1 46 ILE MD . . 7.500 2.893 2.341 5.099 . 0 0 "[ . 1 . 2]" 1
581 1 43 HIS QB 1 46 ILE MG . . 6.500 3.296 2.425 3.850 . 0 0 "[ . 1 . 2]" 1
582 1 12 VAL QG 1 43 HIS HD2 . . 8.900 2.595 2.192 3.466 . 0 0 "[ . 1 . 2]" 1
583 1 41 THR HB 1 43 HIS HD2 . . 5.000 2.782 2.258 4.115 . 0 0 "[ . 1 . 2]" 1
584 1 16 ILE QG 1 43 HIS HD2 . . 6.000 2.978 2.149 5.397 . 0 0 "[ . 1 . 2]" 1
585 1 41 THR HA 1 43 HIS HD2 . . 5.000 5.056 4.954 5.138 0.138 9 0 "[ . 1 . 2]" 1
586 1 12 VAL QG 1 43 HIS HE1 . . 8.900 3.294 2.561 3.870 . 0 0 "[ . 1 . 2]" 1
587 1 41 THR MG 1 43 HIS HE1 . . 6.500 4.412 2.645 5.333 . 0 0 "[ . 1 . 2]" 1
588 1 15 LYS QG 1 43 HIS HE1 . . 6.000 3.821 2.349 5.387 . 0 0 "[ . 1 . 2]" 1
589 1 16 ILE QG 1 43 HIS HE1 . . 6.000 4.801 1.921 5.391 . 0 0 "[ . 1 . 2]" 1
590 1 15 LYS QB 1 43 HIS HE1 . . 6.000 3.756 2.074 5.110 . 0 0 "[ . 1 . 2]" 1
591 1 12 VAL HA 1 43 HIS HE1 . . 5.000 4.110 2.565 5.009 0.009 2 0 "[ . 1 . 2]" 1
592 1 41 THR HA 1 43 HIS HE1 . . 5.000 5.076 4.978 5.172 0.172 14 0 "[ . 1 . 2]" 1
593 1 41 THR HB 1 43 HIS HE1 . . 5.000 3.783 2.616 4.601 . 0 0 "[ . 1 . 2]" 1
594 1 44 LEU H 1 44 LEU QB . . 4.000 2.345 2.036 3.226 . 0 0 "[ . 1 . 2]" 1
595 1 44 LEU H 1 44 LEU QD . . 7.900 3.366 1.880 4.136 0.020 5 0 "[ . 1 . 2]" 1
596 1 44 LEU H 1 45 ASP QB . . 6.000 4.533 3.854 5.352 . 0 0 "[ . 1 . 2]" 1
597 1 43 HIS HA 1 44 LEU H . . 4.000 2.857 2.199 3.405 . 0 0 "[ . 1 . 2]" 1
598 1 44 LEU H 1 45 ASP H . . 4.000 2.733 1.933 3.828 . 0 0 "[ . 1 . 2]" 1
599 1 38 LEU MD2 1 44 LEU HA . . 6.500 3.825 3.386 4.082 . 0 0 "[ . 1 . 2]" 1
600 1 38 LEU HB3 1 44 LEU QD . . 7.900 3.352 2.806 3.642 . 0 0 "[ . 1 . 2]" 1
601 1 38 LEU HB2 1 44 LEU QD . . 6.900 3.169 2.482 3.588 . 0 0 "[ . 1 . 2]" 1
602 1 39 ASP QB 1 44 LEU QD . . 8.900 2.719 2.062 3.567 . 0 0 "[ . 1 . 2]" 1
603 1 45 ASP H 1 45 ASP QB . . 4.000 2.421 2.209 2.814 . 0 0 "[ . 1 . 2]" 1
604 1 44 LEU QD 1 45 ASP H . . 8.900 3.886 3.471 4.192 . 0 0 "[ . 1 . 2]" 1
605 1 45 ASP H 1 46 ILE MG . . 6.500 4.363 3.573 5.418 . 0 0 "[ . 1 . 2]" 1
606 1 44 LEU QB 1 45 ASP H . . 5.000 2.754 2.405 3.998 . 0 0 "[ . 1 . 2]" 1
607 1 45 ASP H 1 46 ILE HB . . 5.000 4.771 4.525 5.165 0.165 11 0 "[ . 1 . 2]" 1
608 1 44 LEU HA 1 45 ASP H . . 4.000 3.481 2.426 3.632 . 0 0 "[ . 1 . 2]" 1
609 1 43 HIS HA 1 45 ASP H . . 5.000 3.817 3.289 4.122 . 0 0 "[ . 1 . 2]" 1
610 1 45 ASP H 1 46 ILE H . . 4.000 2.830 1.783 3.668 0.117 4 0 "[ . 1 . 2]" 1
611 1 44 LEU QB 1 45 ASP HA . . 6.000 4.053 3.836 4.729 . 0 0 "[ . 1 . 2]" 1
612 1 44 LEU HA 1 45 ASP HA . . 5.000 4.697 4.365 4.860 . 0 0 "[ . 1 . 2]" 1
613 1 46 ILE H 1 46 ILE QG . . 6.000 3.701 2.222 4.248 . 0 0 "[ . 1 . 2]" 1
614 1 46 ILE H 1 46 ILE MG . . 5.500 2.553 1.742 3.940 0.158 8 0 "[ . 1 . 2]" 1
615 1 46 ILE H 1 46 ILE MD . . 6.500 4.359 3.316 4.892 . 0 0 "[ . 1 . 2]" 1
616 1 45 ASP QB 1 46 ILE H . . 6.000 3.160 2.022 4.069 . 0 0 "[ . 1 . 2]" 1
617 1 45 ASP HA 1 46 ILE H . . 5.000 3.179 2.435 3.597 . 0 0 "[ . 1 . 2]" 1
618 1 38 LEU MD2 1 46 ILE HA . . 6.500 5.300 4.624 5.454 . 0 0 "[ . 1 . 2]" 1
619 1 38 LEU MD1 1 46 ILE HA . . 6.500 5.437 5.415 5.474 . 0 0 "[ . 1 . 2]" 1
620 1 46 ILE HA 1 50 GLN HB2 . . 5.000 4.532 3.134 5.027 0.027 7 0 "[ . 1 . 2]" 1
621 1 38 LEU MD2 1 46 ILE HB . . 6.500 3.514 2.768 4.655 . 0 0 "[ . 1 . 2]" 1
622 1 46 ILE HB 1 50 GLN HB2 . . 5.000 4.347 2.054 5.005 0.005 3 0 "[ . 1 . 2]" 1
623 1 43 HIS QB 1 46 ILE HB . . 6.000 2.869 2.149 5.350 . 0 0 "[ . 1 . 2]" 1
624 1 38 LEU MD2 1 46 ILE QG . . 7.500 3.866 2.438 4.319 . 0 0 "[ . 1 . 2]" 1
625 1 46 ILE QG 1 50 GLN HB2 . . 6.000 2.527 1.846 4.840 0.054 8 0 "[ . 1 . 2]" 1
626 1 12 VAL QG 1 46 ILE MG . . 9.400 4.110 2.610 5.253 . 0 0 "[ . 1 . 2]" 1
627 1 38 LEU MD2 1 46 ILE MG . . 7.000 2.749 2.257 3.910 . 0 0 "[ . 1 . 2]" 1
628 1 38 LEU MD1 1 46 ILE MG . . 8.000 2.457 1.970 4.362 . 0 0 "[ . 1 . 2]" 1
629 1 46 ILE MG 1 51 LYS QB . . 6.500 2.534 2.087 3.762 . 0 0 "[ . 1 . 2]" 1
630 1 46 ILE MG 1 50 GLN HB2 . . 6.500 3.334 1.958 4.134 . 0 0 "[ . 1 . 2]" 1
631 1 46 ILE MG 1 50 GLN QG . . 7.500 4.673 2.678 5.573 . 0 0 "[ . 1 . 2]" 1
632 1 46 ILE MG 1 51 LYS HA . . 5.500 3.446 3.008 3.933 . 0 0 "[ . 1 . 2]" 1
633 1 38 LEU MD2 1 46 ILE MD . . 7.000 2.434 1.808 3.844 0.092 14 0 "[ . 1 . 2]" 1
634 1 38 LEU MD1 1 46 ILE MD . . 8.000 3.017 1.768 3.758 0.132 2 0 "[ . 1 . 2]" 1
635 1 46 ILE MD 1 50 GLN HB2 . . 5.500 2.728 2.203 3.826 . 0 0 "[ . 1 . 2]" 1
636 1 46 ILE MD 1 50 GLN QG . . 6.500 3.958 2.799 4.851 . 0 0 "[ . 1 . 2]" 1
637 1 46 ILE MD 1 51 LYS HA . . 4.500 2.657 2.032 3.809 . 0 0 "[ . 1 . 2]" 1
638 1 46 ILE MD 1 51 LYS QG . . 7.500 3.594 2.299 4.714 . 0 0 "[ . 1 . 2]" 1
639 1 46 ILE MD 1 51 LYS QE . . 7.500 3.950 2.989 4.756 . 0 0 "[ . 1 . 2]" 1
640 1 46 ILE MD 1 47 GLY H . . 6.500 3.699 1.658 4.508 0.242 4 0 "[ . 1 . 2]" 1
641 1 46 ILE MG 1 47 GLY H . . 5.500 2.773 1.681 3.930 0.219 6 0 "[ . 1 . 2]" 1
642 1 46 ILE QG 1 47 GLY H . . 5.000 2.664 1.737 4.028 0.163 18 0 "[ . 1 . 2]" 1
643 1 46 ILE HB 1 47 GLY H . . 4.000 3.485 1.810 4.063 0.090 14 0 "[ . 1 . 2]" 1
644 1 47 GLY H 1 50 GLN HB2 . . 5.000 3.680 2.195 4.575 . 0 0 "[ . 1 . 2]" 1
645 1 47 GLY H 1 50 GLN QG . . 6.000 4.772 3.571 5.374 . 0 0 "[ . 1 . 2]" 1
646 1 46 ILE H 1 47 GLY H . . 5.000 4.005 2.322 4.654 . 0 0 "[ . 1 . 2]" 1
647 1 48 LEU H 1 48 LEU QB . . 4.000 2.214 2.039 2.292 . 0 0 "[ . 1 . 2]" 1
648 1 48 LEU H 1 48 LEU QD . . 8.900 3.424 1.966 3.732 . 0 0 "[ . 1 . 2]" 1
649 1 47 GLY QA 1 48 LEU H . . 4.000 2.215 2.158 2.343 . 0 0 "[ . 1 . 2]" 1
650 1 48 LEU H 1 49 LYS H . . 4.000 2.831 2.742 3.031 . 0 0 "[ . 1 . 2]" 1
651 1 46 ILE MD 1 48 LEU HA . . 6.500 5.376 4.357 5.445 . 0 0 "[ . 1 . 2]" 1
652 1 48 LEU HA 1 51 LYS QG . . 6.000 4.358 3.401 4.925 . 0 0 "[ . 1 . 2]" 1
653 1 48 LEU HA 1 51 LYS QB . . 4.000 2.462 2.122 2.962 . 0 0 "[ . 1 . 2]" 1
654 1 48 LEU HG 1 52 GLN QG . . 6.000 4.944 4.455 5.364 . 0 0 "[ . 1 . 2]" 1
655 1 48 LEU QD 1 52 GLN QG . . 8.900 4.142 2.762 5.041 . 0 0 "[ . 1 . 2]" 1
656 1 49 LYS H 1 49 LYS QB . . 4.000 2.320 2.055 2.713 . 0 0 "[ . 1 . 2]" 1
657 1 49 LYS H 1 49 LYS QG . . 5.000 2.771 1.901 4.021 . 0 0 "[ . 1 . 2]" 1
658 1 49 LYS H 1 49 LYS QD . . 5.000 3.945 3.051 4.498 . 0 0 "[ . 1 . 2]" 1
659 1 48 LEU HA 1 49 LYS H . . 5.000 3.578 3.522 3.614 . 0 0 "[ . 1 . 2]" 1
660 1 49 LYS H 1 50 GLN H . . 3.000 2.810 2.628 2.991 . 0 0 "[ . 1 . 2]" 1
661 1 50 GLN H 1 50 GLN HB2 . . 3.000 2.368 2.158 2.633 . 0 0 "[ . 1 . 2]" 1
662 1 50 GLN H 1 50 GLN HB3 . . 4.000 3.575 3.492 3.639 . 0 0 "[ . 1 . 2]" 1
663 1 50 GLN H 1 50 GLN QG . . 4.000 2.521 2.074 3.383 . 0 0 "[ . 1 . 2]" 1
664 1 46 ILE MD 1 50 GLN H . . 6.500 4.456 4.091 5.223 . 0 0 "[ . 1 . 2]" 1
665 1 49 LYS QG 1 50 GLN H . . 6.000 3.778 1.984 4.282 . 0 0 "[ . 1 . 2]" 1
666 1 49 LYS QB 1 50 GLN H . . 5.000 2.584 2.255 3.577 . 0 0 "[ . 1 . 2]" 1
667 1 49 LYS HA 1 50 GLN H . . 5.000 3.603 3.550 3.633 . 0 0 "[ . 1 . 2]" 1
668 1 50 GLN H 1 51 LYS H . . 3.000 2.655 2.336 2.915 . 0 0 "[ . 1 . 2]" 1
669 1 50 GLN HA 1 54 LEU MD1 . . 6.500 4.343 3.693 4.755 . 0 0 "[ . 1 . 2]" 1
670 1 50 GLN HA 1 53 TRP QB . . 4.000 2.388 2.201 2.616 . 0 0 "[ . 1 . 2]" 1
671 1 50 GLN QG 1 54 LEU MD1 . . 7.500 4.691 3.994 5.248 . 0 0 "[ . 1 . 2]" 1
672 1 46 ILE QG 1 50 GLN QG . . 7.000 3.813 2.477 5.567 . 0 0 "[ . 1 . 2]" 1
673 1 50 GLN QG 1 53 TRP QB . . 7.000 4.157 3.836 4.793 . 0 0 "[ . 1 . 2]" 1
674 1 9 LYS HA 1 50 GLN QG . . 6.000 3.825 3.010 4.723 . 0 0 "[ . 1 . 2]" 1
675 1 46 ILE MG 1 50 GLN HB3 . . 6.500 3.981 2.004 5.049 . 0 0 "[ . 1 . 2]" 1
676 1 46 ILE QG 1 50 GLN HB3 . . 6.000 3.247 2.193 4.893 . 0 0 "[ . 1 . 2]" 1
677 1 12 VAL QG 1 50 GLN QE . . 9.900 3.349 2.013 4.888 . 0 0 "[ . 1 . 2]" 1
678 1 51 LYS H 1 51 LYS QB . . 4.000 2.181 2.095 2.242 . 0 0 "[ . 1 . 2]" 1
679 1 51 LYS H 1 51 LYS QG . . 5.000 3.914 3.791 4.010 . 0 0 "[ . 1 . 2]" 1
680 1 38 LEU MD2 1 51 LYS H . . 6.500 5.414 5.236 5.455 . 0 0 "[ . 1 . 2]" 1
681 1 46 ILE MD 1 51 LYS H . . 5.500 2.923 2.636 3.166 . 0 0 "[ . 1 . 2]" 1
682 1 46 ILE MG 1 51 LYS H . . 6.500 3.156 2.624 3.554 . 0 0 "[ . 1 . 2]" 1
683 1 46 ILE QG 1 51 LYS H . . 6.000 3.293 2.227 4.652 . 0 0 "[ . 1 . 2]" 1
684 1 50 GLN HB2 1 51 LYS H . . 4.000 2.484 2.246 2.642 . 0 0 "[ . 1 . 2]" 1
685 1 50 GLN QG 1 51 LYS H . . 6.000 4.105 3.738 4.492 . 0 0 "[ . 1 . 2]" 1
686 1 48 LEU HA 1 51 LYS H . . 4.000 3.529 2.976 4.079 0.079 2 0 "[ . 1 . 2]" 1
687 1 50 GLN HA 1 51 LYS H . . 5.000 3.627 3.605 3.653 . 0 0 "[ . 1 . 2]" 1
688 1 51 LYS H 1 52 GLN H . . 3.000 2.900 2.791 3.045 0.045 11 0 "[ . 1 . 2]" 1
689 1 51 LYS HA 1 54 LEU MD2 . . 6.500 4.974 4.751 5.305 . 0 0 "[ . 1 . 2]" 1
690 1 51 LYS HA 1 54 LEU MD1 . . 4.500 2.406 2.228 2.859 . 0 0 "[ . 1 . 2]" 1
691 1 51 LYS HA 1 54 LEU HB3 . . 5.000 4.499 4.047 4.620 . 0 0 "[ . 1 . 2]" 1
692 1 51 LYS HA 1 54 LEU HB2 . . 3.000 2.915 2.444 3.046 0.046 11 0 "[ . 1 . 2]" 1
693 1 51 LYS HA 1 54 LEU HG . . 5.000 4.016 3.626 4.490 . 0 0 "[ . 1 . 2]" 1
694 1 46 ILE MD 1 51 LYS QD . . 7.500 4.235 2.415 5.568 . 0 0 "[ . 1 . 2]" 1
695 1 46 ILE HB 1 51 LYS QE . . 6.000 4.953 3.743 5.369 . 0 0 "[ . 1 . 2]" 1
696 1 52 GLN H 1 52 GLN HB3 . . 3.000 2.550 2.429 3.038 0.038 19 0 "[ . 1 . 2]" 1
697 1 52 GLN H 1 52 GLN HB2 . . 3.000 2.444 2.068 2.529 . 0 0 "[ . 1 . 2]" 1
698 1 52 GLN H 1 52 GLN QG . . 5.000 3.976 3.637 4.054 . 0 0 "[ . 1 . 2]" 1
699 1 46 ILE MD 1 52 GLN H . . 6.500 5.003 4.514 5.417 . 0 0 "[ . 1 . 2]" 1
700 1 46 ILE MG 1 52 GLN H . . 6.500 5.278 4.937 5.488 . 0 0 "[ . 1 . 2]" 1
701 1 51 LYS QG 1 52 GLN H . . 6.000 3.644 3.087 4.005 . 0 0 "[ . 1 . 2]" 1
702 1 51 LYS QB 1 52 GLN H . . 4.000 2.429 2.338 2.755 . 0 0 "[ . 1 . 2]" 1
703 1 51 LYS HA 1 52 GLN H . . 5.000 3.603 3.553 3.626 . 0 0 "[ . 1 . 2]" 1
704 1 50 GLN HA 1 52 GLN H . . 5.000 4.516 4.341 4.641 . 0 0 "[ . 1 . 2]" 1
705 1 52 GLN H 1 53 TRP H . . 3.000 2.754 2.689 2.830 . 0 0 "[ . 1 . 2]" 1
706 1 52 GLN HA 1 56 THR MG . . 5.500 3.747 3.305 4.250 . 0 0 "[ . 1 . 2]" 1
707 1 52 GLN QG 1 56 THR MG . . 7.500 2.807 2.333 3.958 . 0 0 "[ . 1 . 2]" 1
708 1 52 GLN HB3 1 56 THR MG . . 6.500 4.804 4.235 5.437 . 0 0 "[ . 1 . 2]" 1
709 1 52 GLN HB2 1 56 THR MG . . 6.500 5.009 4.586 5.407 . 0 0 "[ . 1 . 2]" 1
710 1 48 LEU QD 1 52 GLN QE . . 9.900 4.587 2.482 6.549 . 0 0 "[ . 1 . 2]" 1
711 1 53 TRP H 1 53 TRP QB . . 4.000 2.167 2.141 2.189 . 0 0 "[ . 1 . 2]" 1
712 1 53 TRP H 1 54 LEU MD1 . . 6.500 5.250 5.110 5.415 . 0 0 "[ . 1 . 2]" 1
713 1 51 LYS QB 1 53 TRP H . . 6.000 4.794 4.664 4.978 . 0 0 "[ . 1 . 2]" 1
714 1 52 GLN HB3 1 53 TRP H . . 4.000 2.422 2.264 2.571 . 0 0 "[ . 1 . 2]" 1
715 1 52 GLN HB2 1 53 TRP H . . 4.000 3.763 3.370 3.850 . 0 0 "[ . 1 . 2]" 1
716 1 52 GLN HA 1 53 TRP H . . 5.000 3.614 3.603 3.630 . 0 0 "[ . 1 . 2]" 1
717 1 53 TRP H 1 54 LEU H . . 3.000 2.865 2.731 2.941 . 0 0 "[ . 1 . 2]" 1
718 1 53 TRP HA 1 56 THR MG . . 6.500 3.921 2.271 4.999 . 0 0 "[ . 1 . 2]" 1
719 1 53 TRP HA 1 57 GLU QB . . 6.000 2.884 2.427 3.354 . 0 0 "[ . 1 . 2]" 1
720 1 53 TRP HA 1 57 GLU QG . . 6.000 4.501 2.216 5.255 . 0 0 "[ . 1 . 2]" 1
721 1 53 TRP HE1 1 58 ALA MB . . 5.500 3.646 3.140 4.108 . 0 0 "[ . 1 . 2]" 1
722 1 53 TRP HE1 1 57 GLU QB . . 6.000 2.990 2.466 3.622 . 0 0 "[ . 1 . 2]" 1
723 1 53 TRP HE1 1 57 GLU QG . . 6.000 3.033 2.055 5.113 . 0 0 "[ . 1 . 2]" 1
724 1 53 TRP HE1 1 58 ALA HA . . 5.000 4.260 3.752 4.676 . 0 0 "[ . 1 . 2]" 1
725 1 53 TRP HE3 1 58 ALA MB . . 5.500 3.858 3.337 4.336 . 0 0 "[ . 1 . 2]" 1
726 1 53 TRP HZ2 1 58 ALA MB . . 5.500 3.140 2.892 3.429 . 0 0 "[ . 1 . 2]" 1
727 1 53 TRP HZ3 1 58 ALA MB . . 5.500 3.853 3.293 4.317 . 0 0 "[ . 1 . 2]" 1
728 1 53 TRP HH2 1 58 ALA MB . . 5.500 3.439 3.070 3.780 . 0 0 "[ . 1 . 2]" 1
729 1 9 LYS QG 1 53 TRP HE3 . . 6.000 4.200 2.558 5.369 . 0 0 "[ . 1 . 2]" 1
730 1 9 LYS QG 1 53 TRP HZ2 . . 6.000 4.597 3.090 5.384 . 0 0 "[ . 1 . 2]" 1
731 1 9 LYS QG 1 53 TRP HZ3 . . 6.000 3.807 2.645 4.691 . 0 0 "[ . 1 . 2]" 1
732 1 53 TRP HE3 1 54 LEU MD2 . . 5.500 3.077 2.812 3.622 . 0 0 "[ . 1 . 2]" 1
733 1 53 TRP HZ2 1 54 LEU MD2 . . 6.500 4.696 4.199 5.010 . 0 0 "[ . 1 . 2]" 1
734 1 53 TRP HZ3 1 54 LEU MD2 . . 5.500 2.585 2.361 3.137 . 0 0 "[ . 1 . 2]" 1
735 1 53 TRP HH2 1 54 LEU MD2 . . 5.500 3.716 3.396 4.016 . 0 0 "[ . 1 . 2]" 1
736 1 13 LEU MD1 1 53 TRP HE3 . . 6.500 5.254 5.013 5.390 . 0 0 "[ . 1 . 2]" 1
737 1 13 LEU MD1 1 53 TRP HZ2 . . 6.500 4.713 4.474 4.916 . 0 0 "[ . 1 . 2]" 1
738 1 13 LEU MD1 1 53 TRP HZ3 . . 6.500 4.052 3.768 4.355 . 0 0 "[ . 1 . 2]" 1
739 1 13 LEU MD1 1 53 TRP HH2 . . 6.500 3.763 3.629 3.992 . 0 0 "[ . 1 . 2]" 1
740 1 53 TRP HE3 1 54 LEU MD1 . . 6.500 3.637 3.478 3.957 . 0 0 "[ . 1 . 2]" 1
741 1 53 TRP HZ3 1 54 LEU MD1 . . 6.500 3.805 3.537 4.258 . 0 0 "[ . 1 . 2]" 1
742 1 13 LEU MD2 1 53 TRP HE3 . . 6.500 5.417 5.383 5.428 . 0 0 "[ . 1 . 2]" 1
743 1 13 LEU MD2 1 53 TRP HZ2 . . 5.500 2.908 2.551 3.227 . 0 0 "[ . 1 . 2]" 1
744 1 13 LEU MD2 1 53 TRP HZ3 . . 5.500 4.054 3.877 4.237 . 0 0 "[ . 1 . 2]" 1
745 1 13 LEU MD2 1 53 TRP HH2 . . 5.500 2.433 2.309 2.685 . 0 0 "[ . 1 . 2]" 1
746 1 9 LYS QB 1 53 TRP HE3 . . 6.000 3.708 3.066 5.174 . 0 0 "[ . 1 . 2]" 1
747 1 9 LYS QB 1 53 TRP HZ2 . . 6.000 3.958 3.336 5.352 . 0 0 "[ . 1 . 2]" 1
748 1 9 LYS QB 1 53 TRP HZ3 . . 5.000 3.046 2.687 4.455 . 0 0 "[ . 1 . 2]" 1
749 1 9 LYS QB 1 53 TRP HH2 . . 6.000 3.138 2.505 4.459 . 0 0 "[ . 1 . 2]" 1
750 1 13 LEU HB2 1 53 TRP HE3 . . 5.000 4.966 4.816 5.024 0.024 4 0 "[ . 1 . 2]" 1
751 1 13 LEU HB2 1 53 TRP HZ2 . . 5.000 4.357 4.057 4.807 . 0 0 "[ . 1 . 2]" 1
752 1 13 LEU HB2 1 53 TRP HZ3 . . 4.000 2.808 2.558 3.026 . 0 0 "[ . 1 . 2]" 1
753 1 13 LEU HB2 1 53 TRP HH2 . . 4.000 2.256 2.137 2.566 . 0 0 "[ . 1 . 2]" 1
754 1 13 LEU HB3 1 53 TRP HZ3 . . 5.000 4.171 3.962 4.291 . 0 0 "[ . 1 . 2]" 1
755 1 13 LEU HB3 1 53 TRP HH2 . . 5.000 2.937 2.676 3.407 . 0 0 "[ . 1 . 2]" 1
756 1 53 TRP HD1 1 57 GLU QB . . 5.000 2.240 2.122 2.362 . 0 0 "[ . 1 . 2]" 1
757 1 9 LYS QE 1 53 TRP HE3 . . 6.000 4.538 2.842 5.367 . 0 0 "[ . 1 . 2]" 1
758 1 9 LYS QE 1 53 TRP HD1 . . 6.000 4.639 3.628 5.358 . 0 0 "[ . 1 . 2]" 1
759 1 53 TRP HE3 1 54 LEU HG . . 3.000 2.312 2.184 2.632 . 0 0 "[ . 1 . 2]" 1
760 1 53 TRP HZ3 1 54 LEU HG . . 4.000 3.474 3.237 3.834 . 0 0 "[ . 1 . 2]" 1
761 1 53 TRP HD1 1 57 GLU QG . . 6.000 3.050 2.150 3.686 . 0 0 "[ . 1 . 2]" 1
762 1 50 GLN QG 1 53 TRP HE3 . . 5.000 3.894 3.212 4.479 . 0 0 "[ . 1 . 2]" 1
763 1 50 GLN QG 1 53 TRP HZ3 . . 6.000 4.845 3.994 5.354 . 0 0 "[ . 1 . 2]" 1
764 1 53 TRP HE3 1 54 LEU HB2 . . 5.000 4.682 4.491 4.972 . 0 0 "[ . 1 . 2]" 1
765 1 53 TRP HE3 1 54 LEU HA . . 5.000 3.981 3.738 4.312 . 0 0 "[ . 1 . 2]" 1
766 1 53 TRP HZ2 1 58 ALA HA . . 5.000 4.141 3.673 4.584 . 0 0 "[ . 1 . 2]" 1
767 1 50 GLN HA 1 53 TRP HE3 . . 4.000 2.858 2.422 3.018 . 0 0 "[ . 1 . 2]" 1
768 1 50 GLN HA 1 53 TRP HZ3 . . 5.000 4.929 4.514 5.045 0.045 12 0 "[ . 1 . 2]" 1
769 1 53 TRP HD1 1 57 GLU HA . . 5.000 5.051 5.000 5.089 0.089 20 0 "[ . 1 . 2]" 1
770 1 10 PHE HA 1 53 TRP HZ3 . . 5.000 4.709 4.255 5.011 0.011 1 0 "[ . 1 . 2]" 1
771 1 10 PHE HA 1 53 TRP HH2 . . 5.000 3.051 2.269 3.799 . 0 0 "[ . 1 . 2]" 1
772 1 9 LYS HA 1 53 TRP HE3 . . 4.000 3.963 3.650 4.054 0.054 16 0 "[ . 1 . 2]" 1
773 1 9 LYS HA 1 53 TRP HZ3 . . 4.000 2.683 2.418 2.882 . 0 0 "[ . 1 . 2]" 1
774 1 9 LYS HA 1 53 TRP HH2 . . 4.000 4.000 3.703 4.099 0.099 17 0 "[ . 1 . 2]" 1
775 1 10 PHE QD 1 53 TRP HH2 . . 7.000 3.796 3.185 4.401 . 0 0 "[ . 1 . 2]" 1
776 1 10 PHE QE 1 53 TRP HH2 . . 7.000 5.010 4.419 5.372 . 0 0 "[ . 1 . 2]" 1
777 1 54 LEU H 1 54 LEU HB2 . . 3.000 2.391 2.316 2.461 . 0 0 "[ . 1 . 2]" 1
778 1 54 LEU H 1 54 LEU HB3 . . 4.000 3.578 3.559 3.603 . 0 0 "[ . 1 . 2]" 1
779 1 54 LEU H 1 54 LEU HG . . 3.000 2.285 2.165 2.436 . 0 0 "[ . 1 . 2]" 1
780 1 54 LEU H 1 54 LEU MD1 . . 6.500 3.384 3.276 3.578 . 0 0 "[ . 1 . 2]" 1
781 1 54 LEU H 1 54 LEU MD2 . . 6.500 3.593 3.453 3.789 . 0 0 "[ . 1 . 2]" 1
782 1 54 LEU H 1 58 ALA MB . . 6.500 4.071 3.854 4.408 . 0 0 "[ . 1 . 2]" 1
783 1 53 TRP QB 1 54 LEU H . . 4.000 2.558 2.442 2.743 . 0 0 "[ . 1 . 2]" 1
784 1 51 LYS HA 1 54 LEU H . . 4.000 3.751 3.428 4.023 0.023 2 0 "[ . 1 . 2]" 1
785 1 53 TRP HA 1 54 LEU H . . 5.000 3.609 3.591 3.636 . 0 0 "[ . 1 . 2]" 1
786 1 53 TRP HE3 1 54 LEU H . . 4.000 3.230 2.897 3.581 . 0 0 "[ . 1 . 2]" 1
787 1 54 LEU H 1 55 MET H . . 3.000 2.752 2.634 2.820 . 0 0 "[ . 1 . 2]" 1
788 1 54 LEU HA 1 59 LEU MD1 . . 6.500 4.010 3.726 4.296 . 0 0 "[ . 1 . 2]" 1
789 1 54 LEU HA 1 58 ALA MB . . 4.500 1.952 1.873 2.059 0.027 9 0 "[ . 1 . 2]" 1
790 1 54 LEU HA 1 59 LEU HG . . 5.000 3.056 2.928 3.247 . 0 0 "[ . 1 . 2]" 1
791 1 54 LEU HB3 1 59 LEU MD1 . . 4.500 2.542 2.248 2.780 . 0 0 "[ . 1 . 2]" 1
792 1 54 LEU HB2 1 59 LEU MD1 . . 5.500 3.816 3.444 4.067 . 0 0 "[ . 1 . 2]" 1
793 1 54 LEU HB3 1 58 ALA MB . . 6.500 3.586 3.414 3.863 . 0 0 "[ . 1 . 2]" 1
794 1 54 LEU HB2 1 58 ALA MB . . 6.500 4.433 4.316 4.673 . 0 0 "[ . 1 . 2]" 1
795 1 54 LEU MD2 1 59 LEU MD1 . . 7.000 3.065 2.578 3.464 . 0 0 "[ . 1 . 2]" 1
796 1 54 LEU MD2 1 58 ALA MB . . 6.000 2.077 1.936 2.309 . 0 0 "[ . 1 . 2]" 1
797 1 34 LEU QD 1 54 LEU MD2 . . 8.000 3.913 3.327 4.606 . 0 0 "[ . 1 . 2]" 1
798 1 13 LEU MD2 1 54 LEU MD2 . . 8.000 3.513 3.234 3.809 . 0 0 "[ . 1 . 2]" 1
799 1 54 LEU MD2 1 59 LEU HG . . 5.500 2.849 2.478 3.161 . 0 0 "[ . 1 . 2]" 1
800 1 13 LEU HB2 1 54 LEU MD2 . . 5.500 2.856 2.558 3.264 . 0 0 "[ . 1 . 2]" 1
801 1 13 LEU HA 1 54 LEU MD2 . . 5.500 2.919 2.714 3.203 . 0 0 "[ . 1 . 2]" 1
802 1 54 LEU MD1 1 59 LEU MD1 . . 7.000 3.592 3.352 4.006 . 0 0 "[ . 1 . 2]" 1
803 1 54 LEU MD1 1 58 ALA MB . . 8.000 4.280 4.113 4.488 . 0 0 "[ . 1 . 2]" 1
804 1 55 MET H 1 55 MET QB . . 4.000 2.199 2.132 2.336 . 0 0 "[ . 1 . 2]" 1
805 1 55 MET H 1 55 MET QG . . 5.000 3.586 2.194 3.922 . 0 0 "[ . 1 . 2]" 1
806 1 55 MET H 1 59 LEU MD1 . . 6.500 4.408 3.951 4.761 . 0 0 "[ . 1 . 2]" 1
807 1 54 LEU MD2 1 55 MET H . . 6.500 4.724 4.621 4.827 . 0 0 "[ . 1 . 2]" 1
808 1 54 LEU MD1 1 55 MET H . . 6.500 4.404 4.221 4.548 . 0 0 "[ . 1 . 2]" 1
809 1 54 LEU HB3 1 55 MET H . . 4.000 3.499 3.352 3.636 . 0 0 "[ . 1 . 2]" 1
810 1 55 MET H 1 56 THR MG . . 6.500 4.214 3.755 4.442 . 0 0 "[ . 1 . 2]" 1
811 1 54 LEU HA 1 55 MET H . . 5.000 3.571 3.556 3.589 . 0 0 "[ . 1 . 2]" 1
812 1 52 GLN HA 1 55 MET H . . 5.000 3.529 3.386 3.738 . 0 0 "[ . 1 . 2]" 1
813 1 55 MET H 1 56 THR H . . 3.000 2.799 2.572 3.004 0.004 9 0 "[ . 1 . 2]" 1
814 1 55 MET HA 1 59 LEU MD1 . . 5.500 3.184 2.712 3.842 . 0 0 "[ . 1 . 2]" 1
815 1 55 MET HA 1 60 VAL MG2 . . 6.500 4.569 2.879 5.418 . 0 0 "[ . 1 . 2]" 1
816 1 55 MET HA 1 59 LEU HB3 . . 5.000 4.968 4.599 5.041 0.041 9 0 "[ . 1 . 2]" 1
817 1 55 MET HA 1 59 LEU HB2 . . 4.000 3.425 3.022 3.644 . 0 0 "[ . 1 . 2]" 1
818 1 55 MET QB 1 56 THR MG . . 5.500 2.841 2.300 4.064 . 0 0 "[ . 1 . 2]" 1
819 1 52 GLN HA 1 55 MET QB . . 4.000 2.792 2.631 3.051 . 0 0 "[ . 1 . 2]" 1
820 1 51 LYS QG 1 55 MET QG . . 7.000 4.701 3.089 5.556 . 0 0 "[ . 1 . 2]" 1
821 1 55 MET QG 1 56 THR MG . . 7.500 4.014 2.715 5.198 . 0 0 "[ . 1 . 2]" 1
822 1 34 LEU QD 1 55 MET QG . . 9.900 2.521 2.013 4.103 . 0 0 "[ . 1 . 2]" 1
823 1 52 GLN HA 1 55 MET QG . . 6.000 4.548 3.245 5.100 . 0 0 "[ . 1 . 2]" 1
824 1 56 THR H 1 56 THR MG . . 4.500 2.347 1.960 2.966 . 0 0 "[ . 1 . 2]" 1
825 1 56 THR H 1 60 VAL MG2 . . 6.500 4.178 3.160 4.657 . 0 0 "[ . 1 . 2]" 1
826 1 55 MET QB 1 56 THR H . . 4.000 2.613 2.261 3.444 . 0 0 "[ . 1 . 2]" 1
827 1 55 MET HA 1 56 THR H . . 5.000 3.618 3.382 3.672 . 0 0 "[ . 1 . 2]" 1
828 1 56 THR H 1 58 ALA H . . 5.000 4.389 3.676 4.698 . 0 0 "[ . 1 . 2]" 1
829 1 56 THR H 1 57 GLU H . . 3.000 2.727 2.172 3.088 0.088 8 0 "[ . 1 . 2]" 1
830 1 56 THR HA 1 60 VAL MG2 . . 4.500 2.568 1.905 3.445 . 0 0 "[ . 1 . 2]" 1
831 1 56 THR HA 1 60 VAL MG1 . . 6.500 3.313 2.262 4.347 . 0 0 "[ . 1 . 2]" 1
832 1 55 MET QB 1 56 THR HA . . 6.000 4.257 3.998 4.395 . 0 0 "[ . 1 . 2]" 1
833 1 56 THR HB 1 60 VAL MG2 . . 6.500 4.359 3.710 5.350 . 0 0 "[ . 1 . 2]" 1
834 1 56 THR HB 1 60 VAL MG1 . . 6.500 5.048 4.052 5.453 . 0 0 "[ . 1 . 2]" 1
835 1 55 MET QB 1 56 THR HB . . 6.000 4.271 3.403 5.333 . 0 0 "[ . 1 . 2]" 1
836 1 56 THR MG 1 60 VAL MG2 . . 8.000 4.259 3.676 4.674 . 0 0 "[ . 1 . 2]" 1
837 1 57 GLU H 1 57 GLU QB . . 5.000 2.831 2.191 2.994 . 0 0 "[ . 1 . 2]" 1
838 1 57 GLU H 1 57 GLU QG . . 6.000 4.080 2.611 4.365 . 0 0 "[ . 1 . 2]" 1
839 1 57 GLU H 1 58 ALA MB . . 6.500 4.012 3.896 4.112 . 0 0 "[ . 1 . 2]" 1
840 1 57 GLU H 1 60 VAL MG2 . . 8.900 2.523 2.015 3.847 . 0 0 "[ . 1 . 2]" 1
841 1 56 THR HB 1 57 GLU H . . 5.000 4.533 3.653 4.720 . 0 0 "[ . 1 . 2]" 1
842 1 57 GLU H 1 58 ALA H . . 3.000 2.475 2.098 2.757 . 0 0 "[ . 1 . 2]" 1
843 1 57 GLU H 1 59 LEU H . . 5.000 3.533 2.625 4.315 . 0 0 "[ . 1 . 2]" 1
844 1 57 GLU HA 1 60 VAL MG2 . . 4.500 2.942 2.198 3.767 . 0 0 "[ . 1 . 2]" 1
845 1 57 GLU HA 1 60 VAL MG1 . . 5.500 4.241 3.748 4.593 . 0 0 "[ . 1 . 2]" 1
846 1 57 GLU HA 1 60 VAL HB . . 5.000 4.010 2.607 5.036 0.036 7 0 "[ . 1 . 2]" 1
847 1 57 GLU QB 1 58 ALA HA . . 6.000 3.973 3.510 4.354 . 0 0 "[ . 1 . 2]" 1
848 1 57 GLU QG 1 58 ALA HA . . 6.000 4.019 3.017 5.460 . 0 0 "[ . 1 . 2]" 1
849 1 58 ALA H 1 58 ALA MB . . 4.500 2.136 2.018 2.250 . 0 0 "[ . 1 . 2]" 1
850 1 54 LEU MD2 1 58 ALA H . . 6.500 4.136 3.931 4.344 . 0 0 "[ . 1 . 2]" 1
851 1 58 ALA H 1 60 VAL MG2 . . 6.500 3.945 3.179 4.610 . 0 0 "[ . 1 . 2]" 1
852 1 13 LEU MD2 1 58 ALA H . . 6.500 5.041 4.643 5.424 . 0 0 "[ . 1 . 2]" 1
853 1 57 GLU QB 1 58 ALA H . . 4.000 2.190 1.905 2.453 . 0 0 "[ . 1 . 2]" 1
854 1 57 GLU QG 1 58 ALA H . . 6.000 3.515 2.780 4.184 . 0 0 "[ . 1 . 2]" 1
855 1 54 LEU HA 1 58 ALA H . . 4.000 2.902 2.736 3.082 . 0 0 "[ . 1 . 2]" 1
856 1 57 GLU HA 1 58 ALA H . . 5.000 3.613 3.587 3.632 . 0 0 "[ . 1 . 2]" 1
857 1 58 ALA H 1 59 LEU H . . 4.000 2.961 2.687 3.289 . 0 0 "[ . 1 . 2]" 1
858 1 53 TRP HE1 1 58 ALA H . . 5.000 4.048 3.567 4.400 . 0 0 "[ . 1 . 2]" 1
859 1 58 ALA HA 1 62 ASN QB . . 6.000 4.029 3.150 4.684 . 0 0 "[ . 1 . 2]" 1
860 1 57 GLU HA 1 58 ALA HA . . 5.000 4.715 4.595 4.791 . 0 0 "[ . 1 . 2]" 1
861 1 58 ALA MB 1 59 LEU HG . . 6.500 2.563 2.375 2.737 . 0 0 "[ . 1 . 2]" 1
862 1 13 LEU HB2 1 58 ALA MB . . 6.500 3.408 2.886 3.862 . 0 0 "[ . 1 . 2]" 1
863 1 57 GLU QB 1 58 ALA MB . . 7.500 3.463 3.290 3.692 . 0 0 "[ . 1 . 2]" 1
864 1 55 MET HA 1 58 ALA MB . . 6.500 5.416 5.247 5.446 . 0 0 "[ . 1 . 2]" 1
865 1 59 LEU H 1 59 LEU HB2 . . 3.000 2.514 2.404 2.640 . 0 0 "[ . 1 . 2]" 1
866 1 59 LEU H 1 59 LEU HB3 . . 4.000 3.600 3.560 3.781 . 0 0 "[ . 1 . 2]" 1
867 1 59 LEU H 1 59 LEU HG . . 3.000 2.120 1.910 2.724 . 0 0 "[ . 1 . 2]" 1
868 1 59 LEU H 1 59 LEU MD1 . . 6.500 3.571 3.364 3.877 . 0 0 "[ . 1 . 2]" 1
869 1 59 LEU H 1 59 LEU MD2 . . 6.500 3.177 2.814 3.712 . 0 0 "[ . 1 . 2]" 1
870 1 58 ALA MB 1 59 LEU H . . 4.500 2.153 1.902 3.021 . 0 0 "[ . 1 . 2]" 1
871 1 54 LEU MD2 1 59 LEU H . . 6.500 3.782 3.228 4.716 . 0 0 "[ . 1 . 2]" 1
872 1 13 LEU MD1 1 59 LEU H . . 6.500 4.091 3.851 4.705 . 0 0 "[ . 1 . 2]" 1
873 1 59 LEU H 1 60 VAL MG2 . . 6.500 3.606 3.014 3.965 . 0 0 "[ . 1 . 2]" 1
874 1 13 LEU MD2 1 59 LEU H . . 6.500 5.087 4.812 5.419 . 0 0 "[ . 1 . 2]" 1
875 1 54 LEU HA 1 59 LEU H . . 4.000 2.971 2.818 3.658 . 0 0 "[ . 1 . 2]" 1
876 1 58 ALA HA 1 59 LEU H . . 5.000 3.619 3.512 3.640 . 0 0 "[ . 1 . 2]" 1
877 1 59 LEU H 1 60 VAL H . . 3.000 2.826 2.422 3.178 0.178 8 0 "[ . 1 . 2]" 1
878 1 13 LEU MD1 1 59 LEU HA . . 5.500 3.867 3.392 4.236 . 0 0 "[ . 1 . 2]" 1
879 1 59 LEU HA 1 62 ASN QB . . 4.000 2.614 2.131 3.071 . 0 0 "[ . 1 . 2]" 1
880 1 59 LEU HB3 1 60 VAL MG2 . . 6.500 4.870 4.208 5.425 . 0 0 "[ . 1 . 2]" 1
881 1 59 LEU HB2 1 60 VAL MG2 . . 6.500 3.873 3.265 4.593 . 0 0 "[ . 1 . 2]" 1
882 1 59 LEU HB2 1 65 ILE MG . . 6.500 3.869 3.574 4.533 . 0 0 "[ . 1 . 2]" 1
883 1 59 LEU HB3 1 65 ILE MG . . 6.500 2.400 2.102 3.036 . 0 0 "[ . 1 . 2]" 1
884 1 59 LEU HG 1 60 VAL MG2 . . 6.500 5.184 4.806 5.420 . 0 0 "[ . 1 . 2]" 1
885 1 59 LEU HG 1 65 ILE MG . . 6.500 4.515 4.175 4.887 . 0 0 "[ . 1 . 2]" 1
886 1 16 ILE HB 1 59 LEU MD1 . . 6.500 5.041 4.356 5.423 . 0 0 "[ . 1 . 2]" 1
887 1 59 LEU MD1 1 62 ASN QB . . 7.500 5.357 4.865 5.592 . 0 0 "[ . 1 . 2]" 1
888 1 34 LEU HA 1 59 LEU MD1 . . 6.500 3.758 3.286 4.064 . 0 0 "[ . 1 . 2]" 1
889 1 59 LEU MD2 1 65 ILE MG . . 6.000 2.367 2.093 3.129 . 0 0 "[ . 1 . 2]" 1
890 1 59 LEU MD2 1 65 ILE QG . . 6.500 2.559 2.018 3.943 . 0 0 "[ . 1 . 2]" 1
891 1 59 LEU MD2 1 65 ILE MD . . 6.000 2.469 1.935 3.575 . 0 0 "[ . 1 . 2]" 1
892 1 59 LEU MD2 1 65 ILE HB . . 6.500 3.450 2.659 3.917 . 0 0 "[ . 1 . 2]" 1
893 1 16 ILE HB 1 59 LEU MD2 . . 6.500 3.854 3.203 4.362 . 0 0 "[ . 1 . 2]" 1
894 1 54 LEU HB2 1 59 LEU MD2 . . 6.500 5.350 5.100 5.421 . 0 0 "[ . 1 . 2]" 1
895 1 54 LEU HA 1 59 LEU MD2 . . 6.500 4.330 4.163 4.606 . 0 0 "[ . 1 . 2]" 1
896 1 60 VAL H 1 60 VAL HB . . 4.000 3.117 2.427 3.868 . 0 0 "[ . 1 . 2]" 1
897 1 60 VAL H 1 60 VAL MG1 . . 6.500 3.198 2.064 3.914 . 0 0 "[ . 1 . 2]" 1
898 1 60 VAL H 1 60 VAL MG2 . . 5.500 2.169 1.758 2.890 0.142 18 0 "[ . 1 . 2]" 1
899 1 59 LEU HG 1 60 VAL H . . 5.000 4.568 4.246 4.913 . 0 0 "[ . 1 . 2]" 1
900 1 59 LEU HB2 1 60 VAL H . . 5.000 3.433 2.508 4.215 . 0 0 "[ . 1 . 2]" 1
901 1 60 VAL H 1 61 ASN H . . 5.000 2.526 1.817 4.638 0.083 10 0 "[ . 1 . 2]" 1
902 1 60 VAL MG1 1 61 ASN QB . . 7.500 4.449 2.511 5.569 . 0 0 "[ . 1 . 2]" 1
903 1 60 VAL MG2 1 61 ASN QD . . 7.500 3.870 2.340 5.410 . 0 0 "[ . 1 . 2]" 1
904 1 60 VAL MG1 1 61 ASN QD . . 7.500 4.643 2.772 5.570 . 0 0 "[ . 1 . 2]" 1
905 1 57 GLU HA 1 61 ASN QD . . 6.000 3.478 2.239 5.326 . 0 0 "[ . 1 . 2]" 1
906 1 62 ASN H 1 62 ASN QB . . 5.000 2.293 2.126 2.704 . 0 0 "[ . 1 . 2]" 1
907 1 61 ASN H 1 62 ASN H . . 5.000 2.606 1.671 3.569 0.229 5 0 "[ . 1 . 2]" 1
908 1 62 ASN HA 1 63 PRO QG . . 6.000 3.884 3.864 3.919 . 0 0 "[ . 1 . 2]" 1
909 1 62 ASN HA 1 63 PRO QD . . 4.000 1.953 1.934 1.985 . 0 0 "[ . 1 . 2]" 1
910 1 62 ASN HA 1 63 PRO HA . . 5.000 4.458 4.398 4.503 . 0 0 "[ . 1 . 2]" 1
911 1 59 LEU MD2 1 62 ASN QB . . 7.500 3.273 2.732 3.724 . 0 0 "[ . 1 . 2]" 1
912 1 62 ASN QB 1 65 ILE QG . . 6.000 3.073 2.087 4.207 . 0 0 "[ . 1 . 2]" 1
913 1 62 ASN QB 1 65 ILE MG . . 6.500 3.285 2.099 3.854 . 0 0 "[ . 1 . 2]" 1
914 1 62 ASN QB 1 65 ILE HB . . 4.000 2.208 1.996 2.468 . 0 0 "[ . 1 . 2]" 1
915 1 13 LEU MD1 1 62 ASN QD . . 6.500 2.558 2.054 3.287 . 0 0 "[ . 1 . 2]" 1
916 1 13 LEU MD2 1 62 ASN QD . . 6.500 2.447 1.979 3.201 . 0 0 "[ . 1 . 2]" 1
917 1 17 VAL MG1 1 62 ASN QD . . 7.500 3.804 3.205 5.211 . 0 0 "[ . 1 . 2]" 1
918 1 62 ASN QD 1 63 PRO QD . . 7.000 3.368 2.701 4.435 . 0 0 "[ . 1 . 2]" 1
919 1 63 PRO HA 1 75 LYS QD . . 6.000 4.366 2.969 5.352 . 0 0 "[ . 1 . 2]" 1
920 1 62 ASN HA 1 63 PRO QB . . 6.000 4.767 4.741 4.802 . 0 0 "[ . 1 . 2]" 1
921 1 62 ASN QB 1 63 PRO QD . . 7.000 3.508 3.322 3.634 . 0 0 "[ . 1 . 2]" 1
922 1 64 LYS H 1 64 LYS HB2 . . 3.000 2.428 2.162 2.662 . 0 0 "[ . 1 . 2]" 1
923 1 64 LYS H 1 64 LYS HB3 . . 4.000 3.598 3.272 3.806 . 0 0 "[ . 1 . 2]" 1
924 1 64 LYS H 1 64 LYS QG . . 5.000 2.783 2.179 4.165 . 0 0 "[ . 1 . 2]" 1
925 1 62 ASN QB 1 64 LYS H . . 6.000 3.629 3.124 4.098 . 0 0 "[ . 1 . 2]" 1
926 1 63 PRO QD 1 64 LYS H . . 6.000 2.757 2.597 2.996 . 0 0 "[ . 1 . 2]" 1
927 1 63 PRO HA 1 64 LYS H . . 5.000 3.551 3.424 3.625 . 0 0 "[ . 1 . 2]" 1
928 1 62 ASN HA 1 64 LYS H . . 5.000 3.851 3.626 4.349 . 0 0 "[ . 1 . 2]" 1
929 1 64 LYS H 1 65 ILE H . . 3.000 2.576 2.226 3.006 0.006 13 0 "[ . 1 . 2]" 1
930 1 64 LYS HA 1 75 LYS HB2 . . 4.000 3.887 3.134 4.057 0.057 9 0 "[ . 1 . 2]" 1
931 1 64 LYS HA 1 75 LYS HB3 . . 3.000 2.556 2.278 3.034 0.034 15 0 "[ . 1 . 2]" 1
932 1 17 VAL MG1 1 64 LYS HB2 . . 5.500 3.041 2.633 3.455 . 0 0 "[ . 1 . 2]" 1
933 1 17 VAL MG1 1 64 LYS HB3 . . 5.500 3.067 2.384 3.700 . 0 0 "[ . 1 . 2]" 1
934 1 64 LYS HB3 1 74 PHE HA . . 5.000 4.746 4.400 5.003 0.003 20 0 "[ . 1 . 2]" 1
935 1 17 VAL MG1 1 64 LYS QD . . 6.500 3.123 2.110 4.689 . 0 0 "[ . 1 . 2]" 1
936 1 65 ILE H 1 65 ILE HB . . 3.000 2.722 2.373 3.005 0.005 13 0 "[ . 1 . 2]" 1
937 1 65 ILE H 1 65 ILE QG . . 5.000 3.270 2.332 4.376 . 0 0 "[ . 1 . 2]" 1
938 1 65 ILE H 1 65 ILE MG . . 6.500 3.723 2.836 3.967 . 0 0 "[ . 1 . 2]" 1
939 1 65 ILE H 1 65 ILE MD . . 6.500 3.847 2.846 4.491 . 0 0 "[ . 1 . 2]" 1
940 1 64 LYS HB2 1 65 ILE H . . 5.000 3.812 3.078 4.308 . 0 0 "[ . 1 . 2]" 1
941 1 62 ASN QB 1 65 ILE H . . 5.000 3.070 2.171 3.762 . 0 0 "[ . 1 . 2]" 1
942 1 64 LYS HA 1 65 ILE H . . 5.000 3.259 2.923 3.546 . 0 0 "[ . 1 . 2]" 1
943 1 65 ILE HA 1 74 PHE HA . . 3.000 2.486 2.168 3.039 0.039 1 0 "[ . 1 . 2]" 1
944 1 59 LEU HA 1 65 ILE HB . . 5.000 3.261 2.765 3.919 . 0 0 "[ . 1 . 2]" 1
945 1 59 LEU MD1 1 65 ILE MG . . 7.000 3.457 2.815 4.402 . 0 0 "[ . 1 . 2]" 1
946 1 65 ILE MG 1 72 TYR QB . . 5.500 2.519 2.018 3.849 . 0 0 "[ . 1 . 2]" 1
947 1 59 LEU HA 1 65 ILE MG . . 5.500 2.777 2.093 3.638 . 0 0 "[ . 1 . 2]" 1
948 1 65 ILE MG 1 66 GLU HA . . 6.500 3.509 3.008 4.204 . 0 0 "[ . 1 . 2]" 1
949 1 65 ILE MG 1 72 TYR HA . . 5.500 3.627 3.219 4.597 . 0 0 "[ . 1 . 2]" 1
950 1 20 MET HB3 1 65 ILE MD . . 6.500 3.606 2.803 4.145 . 0 0 "[ . 1 . 2]" 1
951 1 20 MET HB2 1 65 ILE MD . . 6.500 3.425 2.554 3.979 . 0 0 "[ . 1 . 2]" 1
952 1 20 MET QG 1 65 ILE MD . . 6.500 3.387 2.402 4.679 . 0 0 "[ . 1 . 2]" 1
953 1 65 ILE MD 1 72 TYR QB . . 7.500 3.655 3.062 4.801 . 0 0 "[ . 1 . 2]" 1
954 1 65 ILE MD 1 74 PHE HB3 . . 6.500 4.819 3.870 5.429 . 0 0 "[ . 1 . 2]" 1
955 1 65 ILE MD 1 74 PHE HB2 . . 6.500 3.545 2.507 4.126 . 0 0 "[ . 1 . 2]" 1
956 1 17 VAL HA 1 65 ILE MD . . 4.500 2.819 2.187 3.655 . 0 0 "[ . 1 . 2]" 1
957 1 65 ILE MD 1 74 PHE HA . . 4.500 2.752 2.158 3.757 . 0 0 "[ . 1 . 2]" 1
958 1 66 GLU H 1 66 GLU QB . . 5.000 2.693 2.291 3.318 . 0 0 "[ . 1 . 2]" 1
959 1 66 GLU H 1 66 GLU QG . . 6.000 3.667 1.889 4.249 0.011 15 0 "[ . 1 . 2]" 1
960 1 65 ILE MD 1 66 GLU H . . 6.500 4.047 3.411 5.167 . 0 0 "[ . 1 . 2]" 1
961 1 65 ILE MG 1 66 GLU H . . 4.500 2.470 2.043 3.392 . 0 0 "[ . 1 . 2]" 1
962 1 66 GLU H 1 75 LYS HB3 . . 5.000 4.945 4.038 5.032 0.032 3 0 "[ . 1 . 2]" 1
963 1 65 ILE HA 1 66 GLU H . . 3.000 2.237 2.127 2.338 . 0 0 "[ . 1 . 2]" 1
964 1 66 GLU H 1 73 ALA H . . 5.000 3.049 2.813 3.714 . 0 0 "[ . 1 . 2]" 1
965 1 66 GLU QB 1 68 ILE MD . . 7.500 3.225 2.147 4.420 . 0 0 "[ . 1 . 2]" 1
966 1 66 GLU QB 1 75 LYS HB2 . . 6.000 2.563 2.176 3.313 . 0 0 "[ . 1 . 2]" 1
967 1 66 GLU QB 1 75 LYS HB3 . . 6.000 4.098 3.693 4.751 . 0 0 "[ . 1 . 2]" 1
968 1 66 GLU QB 1 73 ALA MB . . 6.500 3.317 2.515 4.709 . 0 0 "[ . 1 . 2]" 1
969 1 66 GLU QG 1 68 ILE MD . . 6.500 2.778 2.006 4.251 . 0 0 "[ . 1 . 2]" 1
970 1 66 GLU QG 1 68 ILE QG . . 6.000 3.081 2.323 4.235 . 0 0 "[ . 1 . 2]" 1
971 1 66 GLU QG 1 75 LYS QG . . 7.000 3.987 3.168 5.051 . 0 0 "[ . 1 . 2]" 1
972 1 66 GLU QG 1 73 ALA MB . . 6.500 3.744 2.124 4.646 . 0 0 "[ . 1 . 2]" 1
973 1 66 GLU QG 1 75 LYS QE . . 7.000 4.148 2.731 5.559 . 0 0 "[ . 1 . 2]" 1
974 1 66 GLU QG 1 68 ILE HA . . 6.000 4.702 4.126 5.368 . 0 0 "[ . 1 . 2]" 1
975 1 67 VAL H 1 67 VAL HB . . 3.000 2.551 2.444 2.678 . 0 0 "[ . 1 . 2]" 1
976 1 67 VAL H 1 67 VAL MG1 . . 5.500 3.798 3.757 3.846 . 0 0 "[ . 1 . 2]" 1
977 1 67 VAL H 1 67 VAL MG2 . . 4.500 2.262 2.054 2.431 . 0 0 "[ . 1 . 2]" 1
978 1 66 GLU QB 1 67 VAL H . . 6.000 3.406 2.362 3.898 . 0 0 "[ . 1 . 2]" 1
979 1 66 GLU QG 1 67 VAL H . . 6.000 2.853 2.059 4.160 . 0 0 "[ . 1 . 2]" 1
980 1 66 GLU HA 1 67 VAL H . . 3.000 2.285 2.177 2.490 . 0 0 "[ . 1 . 2]" 1
981 1 67 VAL H 1 68 ILE H . . 5.000 4.504 4.307 4.619 . 0 0 "[ . 1 . 2]" 1
982 1 66 GLU H 1 67 VAL H . . 5.000 4.398 4.239 4.623 . 0 0 "[ . 1 . 2]" 1
983 1 67 VAL HA 1 72 TYR QB . . 6.000 4.392 4.080 4.816 . 0 0 "[ . 1 . 2]" 1
984 1 67 VAL HA 1 72 TYR HA . . 3.000 2.612 2.376 2.958 . 0 0 "[ . 1 . 2]" 1
985 1 67 VAL MG1 1 70 GLY QA . . 6.500 2.946 2.524 3.428 . 0 0 "[ . 1 . 2]" 1
986 1 67 VAL MG1 1 68 ILE HA . . 6.500 3.840 3.594 4.138 . 0 0 "[ . 1 . 2]" 1
987 1 67 VAL MG1 1 72 TYR HA . . 6.500 3.696 3.221 4.266 . 0 0 "[ . 1 . 2]" 1
988 1 67 VAL MG2 1 72 TYR QB . . 7.500 4.140 3.786 4.699 . 0 0 "[ . 1 . 2]" 1
989 1 60 VAL HA 1 67 VAL MG2 . . 5.500 2.797 2.317 3.339 . 0 0 "[ . 1 . 2]" 1
990 1 67 VAL MG2 1 72 TYR HA . . 6.500 3.582 3.289 3.841 . 0 0 "[ . 1 . 2]" 1
991 1 68 ILE H 1 68 ILE HB . . 3.000 2.671 2.339 2.881 . 0 0 "[ . 1 . 2]" 1
992 1 68 ILE H 1 68 ILE MG . . 6.500 3.857 3.622 3.961 . 0 0 "[ . 1 . 2]" 1
993 1 68 ILE H 1 68 ILE MD . . 6.500 3.587 2.511 4.295 . 0 0 "[ . 1 . 2]" 1
994 1 67 VAL MG1 1 68 ILE H . . 5.500 2.760 2.356 3.208 . 0 0 "[ . 1 . 2]" 1
995 1 67 VAL MG2 1 68 ILE H . . 5.500 4.149 3.971 4.238 . 0 0 "[ . 1 . 2]" 1
996 1 67 VAL HB 1 68 ILE H . . 5.000 4.203 3.892 4.453 . 0 0 "[ . 1 . 2]" 1
997 1 67 VAL HA 1 68 ILE H . . 3.000 2.201 2.162 2.278 . 0 0 "[ . 1 . 2]" 1
998 1 68 ILE H 1 72 TYR HA . . 5.000 3.411 2.980 3.831 . 0 0 "[ . 1 . 2]" 1
999 1 68 ILE H 1 71 LYS H . . 4.000 3.907 3.090 4.069 0.069 8 0 "[ . 1 . 2]" 1
1000 1 31 PRO QB 1 68 ILE HB . . 6.000 2.863 2.416 3.556 . 0 0 "[ . 1 . 2]" 1
1001 1 31 PRO QG 1 68 ILE HB . . 5.000 2.552 2.065 3.799 . 0 0 "[ . 1 . 2]" 1
1002 1 68 ILE MG 1 69 ASP HB2 . . 4.500 2.829 2.539 3.139 . 0 0 "[ . 1 . 2]" 1
1003 1 68 ILE MG 1 69 ASP HB3 . . 5.500 3.289 2.562 3.829 . 0 0 "[ . 1 . 2]" 1
1004 1 69 ASP H 1 69 ASP HB2 . . 4.000 2.954 2.631 3.501 . 0 0 "[ . 1 . 2]" 1
1005 1 68 ILE MG 1 69 ASP H . . 5.500 2.503 1.872 3.152 0.028 19 0 "[ . 1 . 2]" 1
1006 1 68 ILE QG 1 69 ASP H . . 6.000 4.021 3.728 4.730 . 0 0 "[ . 1 . 2]" 1
1007 1 68 ILE HB 1 69 ASP H . . 5.000 3.131 1.844 4.499 0.056 5 0 "[ . 1 . 2]" 1
1008 1 69 ASP H 1 70 GLY H . . 4.000 3.143 2.697 3.745 . 0 0 "[ . 1 . 2]" 1
1009 1 69 ASP HA 1 70 GLY QA . . 6.000 4.040 3.945 4.137 . 0 0 "[ . 1 . 2]" 1
1010 1 67 VAL MG1 1 70 GLY H . . 5.500 2.834 2.413 3.142 . 0 0 "[ . 1 . 2]" 1
1011 1 69 ASP HB2 1 70 GLY H . . 5.000 4.636 4.177 4.701 . 0 0 "[ . 1 . 2]" 1
1012 1 69 ASP HB3 1 70 GLY H . . 5.000 4.345 4.007 4.537 . 0 0 "[ . 1 . 2]" 1
1013 1 69 ASP HA 1 70 GLY H . . 3.000 2.757 2.387 3.089 0.089 9 0 "[ . 1 . 2]" 1
1014 1 70 GLY H 1 71 LYS H . . 4.000 3.089 2.680 3.303 . 0 0 "[ . 1 . 2]" 1
1015 1 71 LYS H 1 71 LYS HB2 . . 3.000 2.602 2.219 3.270 0.270 20 0 "[ . 1 . 2]" 1
1016 1 71 LYS H 1 71 LYS HB3 . . 4.000 3.581 3.409 3.784 . 0 0 "[ . 1 . 2]" 1
1017 1 71 LYS H 1 71 LYS QD . . 5.000 3.188 1.841 4.215 0.059 12 0 "[ . 1 . 2]" 1
1018 1 67 VAL MG1 1 71 LYS H . . 5.500 4.098 3.404 4.468 . 0 0 "[ . 1 . 2]" 1
1019 1 68 ILE MG 1 71 LYS H . . 6.500 4.873 4.284 5.412 . 0 0 "[ . 1 . 2]" 1
1020 1 70 GLY QA 1 71 LYS H . . 6.000 2.839 2.756 2.981 . 0 0 "[ . 1 . 2]" 1
1021 1 71 LYS H 1 72 TYR H . . 5.000 4.591 4.447 4.662 . 0 0 "[ . 1 . 2]" 1
1022 1 31 PRO QB 1 71 LYS HA . . 6.000 4.387 3.738 4.798 . 0 0 "[ . 1 . 2]" 1
1023 1 72 TYR H 1 72 TYR QB . . 4.000 2.486 2.413 2.625 . 0 0 "[ . 1 . 2]" 1
1024 1 37 ILE MD 1 72 TYR H . . 6.500 3.511 3.026 3.965 . 0 0 "[ . 1 . 2]" 1
1025 1 71 LYS QD 1 72 TYR H . . 6.000 4.418 4.037 4.804 . 0 0 "[ . 1 . 2]" 1
1026 1 71 LYS HB3 1 72 TYR H . . 3.000 2.489 2.274 2.947 . 0 0 "[ . 1 . 2]" 1
1027 1 71 LYS HB2 1 72 TYR H . . 4.000 3.300 2.515 3.900 . 0 0 "[ . 1 . 2]" 1
1028 1 32 LEU HB2 1 72 TYR H . . 5.000 4.498 4.309 4.583 . 0 0 "[ . 1 . 2]" 1
1029 1 32 LEU HB3 1 72 TYR H . . 5.000 5.031 4.981 5.059 0.059 3 0 "[ . 1 . 2]" 1
1030 1 71 LYS HA 1 72 TYR H . . 3.000 2.539 2.286 2.847 . 0 0 "[ . 1 . 2]" 1
1031 1 71 LYS HA 1 72 TYR HA . . 5.000 4.446 4.390 4.534 . 0 0 "[ . 1 . 2]" 1
1032 1 20 MET ME 1 72 TYR HA . . 6.500 4.822 3.920 5.414 . 0 0 "[ . 1 . 2]" 1
1033 1 20 MET ME 1 72 TYR QB . . 6.500 3.331 2.327 4.162 . 0 0 "[ . 1 . 2]" 1
1034 1 59 LEU MD1 1 72 TYR QD . . 7.500 3.199 2.708 3.807 . 0 0 "[ . 1 . 2]" 1
1035 1 59 LEU MD1 1 72 TYR QE . . 7.500 3.544 2.951 4.137 . 0 0 "[ . 1 . 2]" 1
1036 1 59 LEU MD2 1 72 TYR QD . . 7.500 4.085 3.801 4.520 . 0 0 "[ . 1 . 2]" 1
1037 1 59 LEU MD2 1 72 TYR QE . . 7.500 4.974 4.668 5.376 . 0 0 "[ . 1 . 2]" 1
1038 1 67 VAL MG1 1 72 TYR QD . . 7.500 3.713 3.118 4.569 . 0 0 "[ . 1 . 2]" 1
1039 1 67 VAL MG1 1 72 TYR QE . . 7.500 3.495 2.755 4.444 . 0 0 "[ . 1 . 2]" 1
1040 1 34 LEU QD 1 72 TYR QD . . 10.900 3.318 2.731 4.509 . 0 0 "[ . 1 . 2]" 1
1041 1 34 LEU QD 1 72 TYR QE . . 8.900 2.636 2.253 3.820 . 0 0 "[ . 1 . 2]" 1
1042 1 37 ILE MD 1 72 TYR QD . . 7.500 2.995 2.605 3.329 . 0 0 "[ . 1 . 2]" 1
1043 1 37 ILE MD 1 72 TYR QE . . 8.500 4.595 4.376 4.966 . 0 0 "[ . 1 . 2]" 1
1044 1 67 VAL MG2 1 72 TYR QD . . 9.900 2.370 2.125 3.207 . 0 0 "[ . 1 . 2]" 1
1045 1 67 VAL MG2 1 72 TYR QE . . 9.900 2.501 2.203 3.273 . 0 0 "[ . 1 . 2]" 1
1046 1 34 LEU HG 1 72 TYR QD . . 7.000 5.231 4.161 5.691 . 0 0 "[ . 1 . 2]" 1
1047 1 34 LEU HG 1 72 TYR QE . . 5.000 4.250 3.353 4.472 . 0 0 "[ . 1 . 2]" 1
1048 1 65 ILE MG 1 72 TYR QD . . 7.500 2.632 2.236 3.250 . 0 0 "[ . 1 . 2]" 1
1049 1 65 ILE MG 1 72 TYR QE . . 7.500 4.236 3.851 4.641 . 0 0 "[ . 1 . 2]" 1
1050 1 59 LEU HB3 1 72 TYR QD . . 7.000 2.550 2.311 3.003 . 0 0 "[ . 1 . 2]" 1
1051 1 59 LEU HB2 1 72 TYR QD . . 7.000 3.483 3.165 3.875 . 0 0 "[ . 1 . 2]" 1
1052 1 59 LEU HB3 1 72 TYR QE . . 7.000 3.364 2.899 3.856 . 0 0 "[ . 1 . 2]" 1
1053 1 59 LEU HB2 1 72 TYR QE . . 7.000 2.985 2.628 3.410 . 0 0 "[ . 1 . 2]" 1
1054 1 33 THR MG 1 72 TYR QD . . 8.500 5.189 4.729 5.797 . 0 0 "[ . 1 . 2]" 1
1055 1 33 THR MG 1 72 TYR QE . . 8.500 5.713 5.005 6.307 . 0 0 "[ . 1 . 2]" 1
1056 1 34 LEU HB2 1 72 TYR QE . . 6.000 2.801 2.296 3.221 . 0 0 "[ . 1 . 2]" 1
1057 1 34 LEU HB3 1 72 TYR QE . . 6.000 4.530 3.814 4.944 . 0 0 "[ . 1 . 2]" 1
1058 1 34 LEU HB2 1 72 TYR QD . . 6.000 3.784 3.363 3.935 . 0 0 "[ . 1 . 2]" 1
1059 1 34 LEU HB3 1 72 TYR QD . . 6.000 5.243 4.833 5.359 . 0 0 "[ . 1 . 2]" 1
1060 1 55 MET QG 1 72 TYR QE . . 8.000 2.952 2.348 3.928 . 0 0 "[ . 1 . 2]" 1
1061 1 60 VAL HA 1 72 TYR QE . . 7.000 3.663 2.599 4.359 . 0 0 "[ . 1 . 2]" 1
1062 1 55 MET HA 1 72 TYR QE . . 7.000 3.581 3.396 3.839 . 0 0 "[ . 1 . 2]" 1
1063 1 34 LEU HA 1 72 TYR QE . . 7.000 4.088 3.659 4.442 . 0 0 "[ . 1 . 2]" 1
1064 1 34 LEU HA 1 72 TYR QD . . 7.000 3.383 2.821 3.647 . 0 0 "[ . 1 . 2]" 1
1065 1 71 LYS HA 1 72 TYR QE . . 7.000 4.134 3.576 4.576 . 0 0 "[ . 1 . 2]" 1
1066 1 71 LYS HA 1 72 TYR QD . . 7.000 3.312 2.916 4.066 . 0 0 "[ . 1 . 2]" 1
1067 1 67 VAL HA 1 72 TYR QD . . 6.000 3.595 3.200 4.178 . 0 0 "[ . 1 . 2]" 1
1068 1 67 VAL HA 1 72 TYR QE . . 7.000 4.710 4.364 5.183 . 0 0 "[ . 1 . 2]" 1
1069 1 33 THR HA 1 72 TYR QD . . 6.000 3.391 2.852 4.150 . 0 0 "[ . 1 . 2]" 1
1070 1 33 THR HA 1 72 TYR QE . . 7.000 4.481 3.706 5.100 . 0 0 "[ . 1 . 2]" 1
1071 1 33 THR HB 1 72 TYR QE . . 7.000 5.515 4.498 6.141 . 0 0 "[ . 1 . 2]" 1
1072 1 73 ALA H 1 73 ALA MB . . 4.500 2.416 2.297 2.601 . 0 0 "[ . 1 . 2]" 1
1073 1 68 ILE MD 1 73 ALA H . . 6.500 4.103 3.002 5.408 . 0 0 "[ . 1 . 2]" 1
1074 1 65 ILE MG 1 73 ALA H . . 5.500 3.257 2.464 4.597 . 0 0 "[ . 1 . 2]" 1
1075 1 31 PRO QB 1 73 ALA H . . 6.000 3.724 2.863 4.534 . 0 0 "[ . 1 . 2]" 1
1076 1 72 TYR QB 1 73 ALA H . . 4.000 3.164 2.714 3.405 . 0 0 "[ . 1 . 2]" 1
1077 1 67 VAL HA 1 73 ALA H . . 5.000 3.423 3.209 3.609 . 0 0 "[ . 1 . 2]" 1
1078 1 72 TYR HA 1 73 ALA H . . 3.000 2.174 2.112 2.323 . 0 0 "[ . 1 . 2]" 1
1079 1 72 TYR QD 1 73 ALA H . . 7.000 4.169 3.907 4.425 . 0 0 "[ . 1 . 2]" 1
1080 1 20 MET ME 1 73 ALA HA . . 5.500 2.626 2.198 4.319 . 0 0 "[ . 1 . 2]" 1
1081 1 68 ILE MD 1 73 ALA MB . . 6.000 2.470 2.001 3.943 . 0 0 "[ . 1 . 2]" 1
1082 1 67 VAL MG2 1 73 ALA MB . . 8.000 5.536 5.346 5.558 . 0 0 "[ . 1 . 2]" 1
1083 1 65 ILE MG 1 73 ALA MB . . 8.000 4.483 4.118 5.509 . 0 0 "[ . 1 . 2]" 1
1084 1 72 TYR HA 1 73 ALA MB . . 6.500 3.925 3.831 4.008 . 0 0 "[ . 1 . 2]" 1
1085 1 74 PHE H 1 74 PHE HB2 . . 3.000 2.843 2.683 3.034 0.034 8 0 "[ . 1 . 2]" 1
1086 1 74 PHE H 1 74 PHE HB3 . . 3.000 2.239 2.100 2.362 . 0 0 "[ . 1 . 2]" 1
1087 1 65 ILE MD 1 74 PHE H . . 6.500 4.597 3.847 5.418 . 0 0 "[ . 1 . 2]" 1
1088 1 73 ALA MB 1 74 PHE H . . 4.500 2.781 2.276 3.175 . 0 0 "[ . 1 . 2]" 1
1089 1 20 MET ME 1 74 PHE H . . 5.500 2.798 2.219 4.584 . 0 0 "[ . 1 . 2]" 1
1090 1 24 HIS QB 1 74 PHE H . . 6.000 3.936 3.560 4.453 . 0 0 "[ . 1 . 2]" 1
1091 1 73 ALA HA 1 74 PHE H . . 5.000 2.296 2.181 2.507 . 0 0 "[ . 1 . 2]" 1
1092 1 20 MET ME 1 74 PHE HA . . 6.500 3.842 2.837 4.851 . 0 0 "[ . 1 . 2]" 1
1093 1 17 VAL HA 1 74 PHE QE . . 7.000 5.104 3.995 5.554 . 0 0 "[ . 1 . 2]" 1
1094 1 17 VAL HA 1 74 PHE QD . . 7.000 3.958 3.684 4.190 . 0 0 "[ . 1 . 2]" 1
1095 1 17 VAL MG2 1 74 PHE QE . . 8.500 4.961 4.306 5.246 . 0 0 "[ . 1 . 2]" 1
1096 1 17 VAL MG2 1 74 PHE QD . . 8.500 4.351 3.958 4.720 . 0 0 "[ . 1 . 2]" 1
1097 1 17 VAL MG1 1 74 PHE HZ . . 6.500 5.305 4.673 5.429 . 0 0 "[ . 1 . 2]" 1
1098 1 17 VAL MG1 1 74 PHE QE . . 7.500 3.274 2.873 3.396 . 0 0 "[ . 1 . 2]" 1
1099 1 17 VAL MG1 1 74 PHE QD . . 7.500 3.517 2.942 4.084 . 0 0 "[ . 1 . 2]" 1
1100 1 20 MET HB3 1 74 PHE QD . . 7.000 3.321 2.283 4.184 . 0 0 "[ . 1 . 2]" 1
1101 1 20 MET HB2 1 74 PHE QD . . 7.000 3.708 2.707 4.767 . 0 0 "[ . 1 . 2]" 1
1102 1 20 MET QG 1 74 PHE QD . . 8.000 4.741 3.880 5.570 . 0 0 "[ . 1 . 2]" 1
1103 1 21 LYS HA 1 74 PHE HZ . . 5.000 3.809 3.021 4.369 . 0 0 "[ . 1 . 2]" 1
1104 1 21 LYS HA 1 74 PHE QE . . 6.000 3.251 2.812 3.658 . 0 0 "[ . 1 . 2]" 1
1105 1 21 LYS HA 1 74 PHE QD . . 6.000 3.131 2.933 3.470 . 0 0 "[ . 1 . 2]" 1
1106 1 21 LYS HB2 1 74 PHE HZ . . 5.000 3.812 2.878 4.224 . 0 0 "[ . 1 . 2]" 1
1107 1 21 LYS HB2 1 74 PHE QE . . 6.000 2.464 2.187 2.895 . 0 0 "[ . 1 . 2]" 1
1108 1 21 LYS HB2 1 74 PHE QD . . 7.000 3.239 2.863 4.158 . 0 0 "[ . 1 . 2]" 1
1109 1 21 LYS QG 1 74 PHE HZ . . 5.000 2.534 2.163 3.247 . 0 0 "[ . 1 . 2]" 1
1110 1 21 LYS QG 1 74 PHE QE . . 7.000 2.738 2.228 3.336 . 0 0 "[ . 1 . 2]" 1
1111 1 21 LYS QG 1 74 PHE QD . . 8.000 4.021 3.619 4.605 . 0 0 "[ . 1 . 2]" 1
1112 1 21 LYS QD 1 74 PHE HZ . . 5.000 3.547 2.536 4.478 . 0 0 "[ . 1 . 2]" 1
1113 1 21 LYS QD 1 74 PHE QE . . 7.000 3.638 2.460 4.405 . 0 0 "[ . 1 . 2]" 1
1114 1 21 LYS QD 1 74 PHE QD . . 8.000 5.036 4.056 5.627 . 0 0 "[ . 1 . 2]" 1
1115 1 21 LYS QE 1 74 PHE HZ . . 5.000 4.478 4.251 4.537 . 0 0 "[ . 1 . 2]" 1
1116 1 21 LYS QE 1 74 PHE QE . . 8.000 4.458 3.929 4.711 . 0 0 "[ . 1 . 2]" 1
1117 1 24 HIS HA 1 74 PHE QD . . 7.000 5.008 4.602 5.335 . 0 0 "[ . 1 . 2]" 1
1118 1 24 HIS QB 1 74 PHE QE . . 8.000 3.703 2.935 4.141 . 0 0 "[ . 1 . 2]" 1
1119 1 24 HIS QB 1 74 PHE QD . . 7.000 2.769 2.179 3.222 . 0 0 "[ . 1 . 2]" 1
1120 1 64 LYS HA 1 74 PHE QE . . 7.000 4.614 4.294 5.154 . 0 0 "[ . 1 . 2]" 1
1121 1 64 LYS HA 1 74 PHE QD . . 7.000 4.834 4.460 5.190 . 0 0 "[ . 1 . 2]" 1
1122 1 64 LYS HB3 1 74 PHE HZ . . 5.000 4.717 3.449 5.038 0.038 1 0 "[ . 1 . 2]" 1
1123 1 64 LYS HB3 1 74 PHE QE . . 6.000 2.895 2.300 3.464 . 0 0 "[ . 1 . 2]" 1
1124 1 64 LYS HB3 1 74 PHE QD . . 7.000 3.234 2.576 3.563 . 0 0 "[ . 1 . 2]" 1
1125 1 64 LYS QG 1 74 PHE QE . . 8.000 3.750 2.139 4.622 . 0 0 "[ . 1 . 2]" 1
1126 1 64 LYS QG 1 74 PHE QD . . 8.000 4.817 3.537 5.463 . 0 0 "[ . 1 . 2]" 1
1127 1 64 LYS QD 1 74 PHE HZ . . 6.000 4.560 2.756 5.372 . 0 0 "[ . 1 . 2]" 1
1128 1 64 LYS QD 1 74 PHE QE . . 7.000 3.433 2.220 4.730 . 0 0 "[ . 1 . 2]" 1
1129 1 64 LYS QD 1 74 PHE QD . . 8.000 4.802 3.694 5.947 . 0 0 "[ . 1 . 2]" 1
1130 1 64 LYS QE 1 74 PHE HZ . . 6.000 4.413 2.396 5.360 . 0 0 "[ . 1 . 2]" 1
1131 1 64 LYS QE 1 74 PHE QE . . 8.000 3.631 2.065 4.673 . 0 0 "[ . 1 . 2]" 1
1132 1 65 ILE HA 1 74 PHE QD . . 7.000 4.619 4.330 5.099 . 0 0 "[ . 1 . 2]" 1
1133 1 65 ILE MD 1 74 PHE QE . . 8.500 4.961 4.156 5.813 . 0 0 "[ . 1 . 2]" 1
1134 1 65 ILE MD 1 74 PHE QD . . 7.500 3.349 2.324 4.122 . 0 0 "[ . 1 . 2]" 1
1135 1 74 PHE QE 1 75 LYS HA . . 7.000 5.377 5.044 5.577 . 0 0 "[ . 1 . 2]" 1
1136 1 74 PHE QD 1 75 LYS HA . . 7.000 4.437 4.023 4.735 . 0 0 "[ . 1 . 2]" 1
1137 1 74 PHE HZ 1 76 PRO HA . . 4.000 3.772 3.336 4.035 0.035 1 0 "[ . 1 . 2]" 1
1138 1 74 PHE QE 1 76 PRO HA . . 6.000 2.303 2.136 2.711 . 0 0 "[ . 1 . 2]" 1
1139 1 74 PHE QD 1 76 PRO HA . . 6.000 3.612 3.224 4.004 . 0 0 "[ . 1 . 2]" 1
1140 1 74 PHE HZ 1 76 PRO QB . . 6.000 5.286 4.838 5.372 . 0 0 "[ . 1 . 2]" 1
1141 1 74 PHE QE 1 76 PRO QB . . 7.000 3.476 2.970 4.053 . 0 0 "[ . 1 . 2]" 1
1142 1 74 PHE QD 1 76 PRO QB . . 8.000 4.226 3.596 5.011 . 0 0 "[ . 1 . 2]" 1
1143 1 74 PHE QE 1 76 PRO QG . . 8.000 4.761 4.281 5.081 . 0 0 "[ . 1 . 2]" 1
1144 1 74 PHE QD 1 76 PRO QG . . 8.000 4.551 3.893 5.191 . 0 0 "[ . 1 . 2]" 1
1145 1 74 PHE QE 1 76 PRO QD . . 8.000 4.494 3.988 4.747 . 0 0 "[ . 1 . 2]" 1
1146 1 74 PHE QD 1 76 PRO QD . . 7.000 3.697 2.922 4.295 . 0 0 "[ . 1 . 2]" 1
1147 1 75 LYS H 1 75 LYS HB2 . . 3.000 2.463 2.181 2.756 . 0 0 "[ . 1 . 2]" 1
1148 1 75 LYS H 1 75 LYS HB3 . . 3.000 2.591 2.283 2.885 . 0 0 "[ . 1 . 2]" 1
1149 1 65 ILE MD 1 75 LYS H . . 6.500 3.786 3.287 5.103 . 0 0 "[ . 1 . 2]" 1
1150 1 64 LYS HA 1 75 LYS H . . 5.000 3.504 3.348 3.825 . 0 0 "[ . 1 . 2]" 1
1151 1 74 PHE HA 1 75 LYS H . . 4.000 2.177 2.139 2.309 . 0 0 "[ . 1 . 2]" 1
1152 1 65 ILE HA 1 75 LYS H . . 5.000 2.449 2.028 4.008 . 0 0 "[ . 1 . 2]" 1
1153 1 74 PHE QD 1 75 LYS H . . 7.000 3.674 3.281 3.858 . 0 0 "[ . 1 . 2]" 1
1154 1 75 LYS HA 1 76 PRO QG . . 6.000 3.896 3.874 3.943 . 0 0 "[ . 1 . 2]" 1
1155 1 75 LYS HA 1 76 PRO QB . . 6.000 4.759 4.705 4.789 . 0 0 "[ . 1 . 2]" 1
1156 1 75 LYS HA 1 76 PRO QD . . 4.000 1.963 1.946 2.003 . 0 0 "[ . 1 . 2]" 1
1157 1 74 PHE HA 1 75 LYS HA . . 5.000 4.405 4.378 4.454 . 0 0 "[ . 1 . 2]" 1
1158 1 75 LYS HB2 1 76 PRO QD . . 6.000 4.006 3.775 4.194 . 0 0 "[ . 1 . 2]" 1
1159 1 75 LYS HB3 1 76 PRO QD . . 6.000 4.079 3.677 4.312 . 0 0 "[ . 1 . 2]" 1
1160 1 75 LYS QG 1 76 PRO QD . . 7.000 2.420 2.212 2.923 . 0 0 "[ . 1 . 2]" 1
1161 1 77 LYS H 1 77 LYS QB . . 4.000 2.715 2.108 3.489 . 0 0 "[ . 1 . 2]" 1
1162 1 77 LYS H 1 77 LYS QG . . 6.000 3.494 2.001 4.322 . 0 0 "[ . 1 . 2]" 1
1163 1 76 PRO QB 1 77 LYS H . . 5.000 3.017 2.090 4.070 . 0 0 "[ . 1 . 2]" 1
1164 1 77 LYS H 1 78 TYR QD . . 7.000 5.010 2.371 6.047 . 0 0 "[ . 1 . 2]" 1
1165 1 78 TYR H 1 78 TYR QB . . 4.000 2.905 2.375 3.502 . 0 0 "[ . 1 . 2]" 1
1166 1 77 LYS QD 1 78 TYR H . . 6.000 4.377 2.913 5.389 . 0 0 "[ . 1 . 2]" 1
1167 1 77 LYS QB 1 78 TYR H . . 6.000 3.016 1.858 4.021 0.042 3 0 "[ . 1 . 2]" 1
1168 1 77 LYS HA 1 78 TYR H . . 4.000 2.976 2.160 3.620 . 0 0 "[ . 1 . 2]" 1
1169 1 78 TYR H 1 79 ASN H . . 5.000 3.166 1.987 4.558 . 0 0 "[ . 1 . 2]" 1
1170 1 77 LYS QB 1 78 TYR HA . . 6.000 4.691 3.922 5.327 . 0 0 "[ . 1 . 2]" 1
1171 1 77 LYS QB 1 78 TYR QD . . 8.000 3.669 2.159 5.273 . 0 0 "[ . 1 . 2]" 1
1172 1 77 LYS QB 1 78 TYR QE . . 8.000 4.507 2.893 6.350 . 0 0 "[ . 1 . 2]" 1
1173 1 77 LYS QE 1 78 TYR QE . . 8.000 4.855 3.010 6.360 . 0 0 "[ . 1 . 2]" 1
1174 1 79 ASN H 1 79 ASN QB . . 6.000 2.824 2.249 3.473 . 0 0 "[ . 1 . 2]" 1
1175 1 77 LYS QG 1 79 ASN H . . 6.000 4.551 2.418 5.369 . 0 0 "[ . 1 . 2]" 1
1176 1 78 TYR QB 1 79 ASN H . . 6.000 3.483 1.811 4.095 0.089 8 0 "[ . 1 . 2]" 1
1177 1 78 TYR HA 1 79 ASN H . . 4.000 2.842 2.161 3.615 . 0 0 "[ . 1 . 2]" 1
1178 1 78 TYR QD 1 79 ASN H . . 7.000 4.235 2.654 4.926 . 0 0 "[ . 1 . 2]" 1
1179 1 80 VAL H 1 80 VAL HB . . 3.000 2.640 2.424 3.160 0.160 14 0 "[ . 1 . 2]" 1
1180 1 80 VAL H 1 80 VAL QG . . 7.900 2.263 1.974 3.242 . 0 0 "[ . 1 . 2]" 1
1181 1 79 ASN HA 1 80 VAL H . . 5.000 2.656 2.166 3.623 . 0 0 "[ . 1 . 2]" 1
1182 1 80 VAL QG 1 81 ARG H . . 8.900 2.578 2.161 3.789 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 40
_Distance_constraint_stats_list.Viol_count 94
_Distance_constraint_stats_list.Viol_total 1277.138
_Distance_constraint_stats_list.Viol_max 1.731
_Distance_constraint_stats_list.Viol_rms 0.3438
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0798
_Distance_constraint_stats_list.Viol_average_violations_only 0.6793
_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 12 VAL 0.062 0.047 2 0 "[ . 1 . 2]"
1 13 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 ILE 0.062 0.047 2 0 "[ . 1 . 2]"
1 17 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 THR 62.601 1.731 13 20 [***********-+*******]
1 34 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 ASP 0.156 0.099 8 0 "[ . 1 . 2]"
1 36 GLU 62.363 1.731 13 20 [***********-+*******]
1 37 ILE 0.239 0.056 6 0 "[ . 1 . 2]"
1 38 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 ASP 0.156 0.099 8 0 "[ . 1 . 2]"
1 53 TRP 0.298 0.114 17 0 "[ . 1 . 2]"
1 54 LEU 0.005 0.005 17 0 "[ . 1 . 2]"
1 58 ALA 0.298 0.114 17 0 "[ . 1 . 2]"
1 59 LEU 0.005 0.005 17 0 "[ . 1 . 2]"
1 62 ASN 0.441 0.096 15 0 "[ . 1 . 2]"
1 64 LYS 0.003 0.003 15 0 "[ . 1 . 2]"
1 65 ILE 0.437 0.096 15 0 "[ . 1 . 2]"
1 66 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 ILE 0.294 0.055 1 0 "[ . 1 . 2]"
1 71 LYS 0.294 0.055 1 0 "[ . 1 . 2]"
1 72 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 12 VAL O 1 16 ILE H . . 2.300 1.960 1.856 2.347 0.047 2 0 "[ . 1 . 2]" 2
2 1 13 LEU O 1 17 VAL H . . 2.300 1.865 1.813 1.952 . 0 0 "[ . 1 . 2]" 2
3 1 14 ALA O 1 18 ASN H . . 2.300 1.927 1.866 2.075 . 0 0 "[ . 1 . 2]" 2
4 1 15 LYS O 1 19 TYR H . . 2.300 1.868 1.785 1.916 . 0 0 "[ . 1 . 2]" 2
5 1 16 ILE O 1 20 MET H . . 2.300 1.853 1.792 1.932 . 0 0 "[ . 1 . 2]" 2
6 1 17 VAL O 1 21 LYS H . . 2.300 1.967 1.867 2.177 . 0 0 "[ . 1 . 2]" 2
7 1 18 ASN O 1 22 THR H . . 2.300 1.952 1.827 2.176 . 0 0 "[ . 1 . 2]" 2
8 1 19 TYR O 1 23 ARG H . . 2.300 1.920 1.751 2.155 . 0 0 "[ . 1 . 2]" 2
9 1 32 LEU H 1 72 TYR O . . 2.300 1.891 1.795 1.976 . 0 0 "[ . 1 . 2]" 2
10 1 33 THR H 1 36 GLU OE2 . . 2.300 3.865 3.177 4.031 1.731 13 20 [***********-+*******] 2
11 1 33 THR OG1 1 36 GLU H . . 2.300 2.242 1.956 2.355 0.055 18 0 "[ . 1 . 2]" 2
12 1 33 THR O 1 37 ILE H . . 2.300 2.206 1.954 2.356 0.056 6 0 "[ . 1 . 2]" 2
13 1 34 LEU O 1 38 LEU H . . 2.300 2.018 1.861 2.270 . 0 0 "[ . 1 . 2]" 2
14 1 35 ASP O 1 39 ASP H . . 2.300 2.037 1.876 2.399 0.099 8 0 "[ . 1 . 2]" 2
15 1 53 TRP O 1 58 ALA H . . 2.300 2.080 1.849 2.414 0.114 17 0 "[ . 1 . 2]" 2
16 1 54 LEU O 1 59 LEU H . . 2.300 2.007 1.879 2.305 0.005 17 0 "[ . 1 . 2]" 2
17 1 62 ASN OD1 1 64 LYS H . . 2.300 1.978 1.897 2.303 0.003 15 0 "[ . 1 . 2]" 2
18 1 62 ASN O 1 65 ILE H . . 2.300 2.156 1.904 2.396 0.096 15 0 "[ . 1 . 2]" 2
19 1 66 GLU H 1 73 ALA O . . 2.300 1.879 1.788 2.181 . 0 0 "[ . 1 . 2]" 2
20 1 68 ILE H 1 71 LYS O . . 2.300 2.131 1.851 2.355 0.055 1 0 "[ . 1 . 2]" 2
21 1 12 VAL O 1 16 ILE N . 2.500 3.300 2.931 2.820 3.315 0.015 2 0 "[ . 1 . 2]" 2
22 1 13 LEU O 1 17 VAL N . 2.500 3.300 2.863 2.799 2.961 . 0 0 "[ . 1 . 2]" 2
23 1 14 ALA O 1 18 ASN N . 2.500 3.300 2.905 2.840 3.024 . 0 0 "[ . 1 . 2]" 2
24 1 15 LYS O 1 19 TYR N . 2.500 3.300 2.842 2.769 2.914 . 0 0 "[ . 1 . 2]" 2
25 1 16 ILE O 1 20 MET N . 2.500 3.300 2.855 2.782 2.944 . 0 0 "[ . 1 . 2]" 2
26 1 17 VAL O 1 21 LYS N . 2.500 3.300 2.900 2.778 3.123 . 0 0 "[ . 1 . 2]" 2
27 1 18 ASN O 1 22 THR N . 2.500 3.300 2.928 2.832 3.124 . 0 0 "[ . 1 . 2]" 2
28 1 19 TYR O 1 23 ARG N . 2.500 3.300 2.913 2.729 3.122 . 0 0 "[ . 1 . 2]" 2
29 1 32 LEU N 1 72 TYR O . 2.500 3.300 2.872 2.762 2.957 . 0 0 "[ . 1 . 2]" 2
30 1 33 THR N 1 36 GLU OE2 . 2.500 3.300 4.839 4.057 5.031 1.731 17 20 [***********-****+***] 2
31 1 33 THR OG1 1 36 GLU N . 2.500 3.300 3.214 2.933 3.319 0.019 15 0 "[ . 1 . 2]" 2
32 1 33 THR O 1 37 ILE N . 2.500 3.300 3.126 2.920 3.290 . 0 0 "[ . 1 . 2]" 2
33 1 34 LEU O 1 38 LEU N . 2.500 3.300 2.989 2.862 3.207 . 0 0 "[ . 1 . 2]" 2
34 1 35 ASP O 1 39 ASP N . 2.500 3.300 3.018 2.872 3.310 0.010 8 0 "[ . 1 . 2]" 2
35 1 53 TRP O 1 58 ALA N . 2.500 3.300 3.028 2.815 3.326 0.026 17 0 "[ . 1 . 2]" 2
36 1 54 LEU O 1 59 LEU N . 2.500 3.300 2.930 2.832 3.049 . 0 0 "[ . 1 . 2]" 2
37 1 62 ASN OD1 1 64 LYS N . 2.500 3.300 2.841 2.774 2.935 . 0 0 "[ . 1 . 2]" 2
38 1 62 ASN O 1 65 ILE N . 2.500 3.300 3.084 2.865 3.357 0.057 20 0 "[ . 1 . 2]" 2
39 1 66 GLU N 1 73 ALA O . 2.500 3.300 2.808 2.722 2.901 . 0 0 "[ . 1 . 2]" 2
40 1 68 ILE N 1 71 LYS O . 2.500 3.300 3.092 2.816 3.331 0.031 8 0 "[ . 1 . 2]" 2
stop_
save_
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