NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
426503 |
2h7d   |
7150 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2h7d
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 1867
_Distance_constraint_stats_list.Viol_count 2462
_Distance_constraint_stats_list.Viol_total 2114.895
_Distance_constraint_stats_list.Viol_max 0.883
_Distance_constraint_stats_list.Viol_rms 0.0266
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0028
_Distance_constraint_stats_list.Viol_average_violations_only 0.0430
_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 1 PRO 0.707 0.066 8 0 "[ . 1 . 2]"
1 2 LEU 0.600 0.065 3 0 "[ . 1 . 2]"
1 3 GLY 0.644 0.066 8 0 "[ . 1 . 2]"
1 4 SER 0.024 0.006 5 0 "[ . 1 . 2]"
1 5 GLY 0.014 0.012 6 0 "[ . 1 . 2]"
1 6 VAL 0.447 0.018 20 0 "[ . 1 . 2]"
1 7 SER 0.478 0.019 16 0 "[ . 1 . 2]"
1 8 PHE 3.672 0.399 11 0 "[ . 1 . 2]"
1 9 PHE 2.904 0.718 20 1 "[ . 1 . +]"
1 10 LEU 0.240 0.031 10 0 "[ . 1 . 2]"
1 11 VAL 0.019 0.013 20 0 "[ . 1 . 2]"
1 12 LYS 0.369 0.031 17 0 "[ . 1 . 2]"
1 13 GLU 0.317 0.031 17 0 "[ . 1 . 2]"
1 14 LYS 0.252 0.040 12 0 "[ . 1 . 2]"
1 15 MET 1.961 0.616 3 3 "[ + . * 1 - . 2]"
1 16 LYS 0.435 0.031 14 0 "[ . 1 . 2]"
1 17 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 LYS 0.128 0.032 3 0 "[ . 1 . 2]"
1 19 ASN 0.627 0.283 19 0 "[ . 1 . 2]"
1 20 LYS 2.861 0.357 9 0 "[ . 1 . 2]"
1 21 LEU 1.617 0.357 9 0 "[ . 1 . 2]"
1 22 VAL 0.441 0.171 12 0 "[ . 1 . 2]"
1 23 PRO 0.338 0.171 12 0 "[ . 1 . 2]"
1 24 ARG 0.045 0.020 13 0 "[ . 1 . 2]"
1 25 LEU 2.752 0.399 11 0 "[ . 1 . 2]"
1 26 LEU 0.883 0.058 18 0 "[ . 1 . 2]"
1 27 GLY 0.285 0.027 7 0 "[ . 1 . 2]"
1 28 ILE 0.753 0.151 16 0 "[ . 1 . 2]"
1 29 THR 1.519 0.051 19 0 "[ . 1 . 2]"
1 30 LYS 0.160 0.049 17 0 "[ . 1 . 2]"
1 31 GLU 0.878 0.049 12 0 "[ . 1 . 2]"
1 32 SER 6.432 0.712 11 8 "[* *. * 1+ *- **2]"
1 33 VAL 1.553 0.061 9 0 "[ . 1 . 2]"
1 34 MET 1.770 0.145 12 0 "[ . 1 . 2]"
1 35 ARG 2.143 0.850 18 1 "[ . 1 . + 2]"
1 36 VAL 0.587 0.035 16 0 "[ . 1 . 2]"
1 37 ASP 0.522 0.037 3 0 "[ . 1 . 2]"
1 38 GLU 0.016 0.009 14 0 "[ . 1 . 2]"
1 39 LYS 0.163 0.024 11 0 "[ . 1 . 2]"
1 40 THR 0.077 0.012 18 0 "[ . 1 . 2]"
1 41 LYS 4.371 0.557 7 7 "[ **. + *- . **2]"
1 42 GLU 1.292 0.053 6 0 "[ . 1 . 2]"
1 43 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 ILE 0.675 0.037 3 0 "[ . 1 . 2]"
1 45 GLN 0.041 0.021 20 0 "[ . 1 . 2]"
1 46 GLU 0.845 0.052 12 0 "[ . 1 . 2]"
1 47 TRP 2.204 0.850 18 1 "[ . 1 . + 2]"
1 48 SER 5.700 0.712 11 8 "[* *. * 1+ *- **2]"
1 49 LEU 7.505 0.720 14 4 "[-* * 1 +. 2]"
1 50 THR 1.017 0.235 20 0 "[ . 1 . 2]"
1 51 ASN 3.566 0.300 19 0 "[ . 1 . 2]"
1 52 ILE 0.620 0.141 15 0 "[ . 1 . 2]"
1 53 LYS 1.031 0.067 2 0 "[ . 1 . 2]"
1 54 ARG 0.357 0.047 17 0 "[ . 1 . 2]"
1 55 TRP 1.705 0.058 2 0 "[ . 1 . 2]"
1 56 ALA 0.106 0.023 19 0 "[ . 1 . 2]"
1 57 ALA 0.707 0.053 7 0 "[ . 1 . 2]"
1 58 SER 1.210 0.055 6 0 "[ . 1 . 2]"
1 59 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 LYS 0.008 0.006 18 0 "[ . 1 . 2]"
1 61 SER 1.229 0.055 6 0 "[ . 1 . 2]"
1 62 PHE 9.392 0.525 9 2 "[ - . +1 . 2]"
1 63 THR 2.314 0.589 1 1 "[+ . 1 . 2]"
1 64 LEU 1.001 0.086 2 0 "[ . 1 . 2]"
1 65 ASP 0.578 0.086 2 0 "[ . 1 . 2]"
1 66 PHE 4.619 0.620 18 1 "[ . 1 . + 2]"
1 67 GLY 0.549 0.047 8 0 "[ . 1 . 2]"
1 68 ASP 0.404 0.049 15 0 "[ . 1 . 2]"
1 69 TYR 0.156 0.036 15 0 "[ . 1 . 2]"
1 70 GLN 3.604 0.729 18 5 "[ * . * 1- * . + 2]"
1 71 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 GLY 0.009 0.006 13 0 "[ . 1 . 2]"
1 73 TYR 4.971 0.589 1 1 "[+ . 1 . 2]"
1 74 TYR 5.886 0.620 18 1 "[ . 1 . + 2]"
1 75 SER 4.051 0.883 18 2 "[ . - 1 . + 2]"
1 76 VAL 0.135 0.028 16 0 "[ . 1 . 2]"
1 77 GLN 0.187 0.077 6 0 "[ . 1 . 2]"
1 78 THR 0.510 0.048 4 0 "[ . 1 . 2]"
1 79 THR 0.576 0.057 3 0 "[ . 1 . 2]"
1 80 GLU 2.641 0.718 20 1 "[ . 1 . +]"
1 81 GLY 7.065 0.525 9 2 "[ - . +1 . 2]"
1 82 GLU 0.763 0.313 17 0 "[ . 1 . 2]"
1 83 GLN 1.047 0.313 17 0 "[ . 1 . 2]"
1 84 ILE 1.412 0.056 17 0 "[ . 1 . 2]"
1 85 ALA 1.604 0.367 13 0 "[ . 1 . 2]"
1 86 GLN 1.383 0.367 13 0 "[ . 1 . 2]"
1 87 LEU 1.582 0.066 3 0 "[ . 1 . 2]"
1 88 ILE 0.131 0.017 5 0 "[ . 1 . 2]"
1 89 ALA 0.111 0.020 11 0 "[ . 1 . 2]"
1 90 GLY 1.761 0.205 1 0 "[ . 1 . 2]"
1 91 TYR 5.820 0.720 14 4 "[-* * 1 +. 2]"
1 92 ILE 0.645 0.235 3 0 "[ . 1 . 2]"
1 93 ASP 1.896 0.205 1 0 "[ . 1 . 2]"
1 94 ILE 0.922 0.108 12 0 "[ . 1 . 2]"
1 95 ILE 2.907 0.092 18 0 "[ . 1 . 2]"
1 96 LEU 0.026 0.015 18 0 "[ . 1 . 2]"
1 97 LYS 0.407 0.108 12 0 "[ . 1 . 2]"
1 98 LYS 0.972 0.092 18 0 "[ . 1 . 2]"
1 99 LYS 1.108 0.109 7 0 "[ . 1 . 2]"
1 100 LYS 1.066 0.109 7 0 "[ . 1 . 2]"
1 101 SER 0.021 0.009 2 0 "[ . 1 . 2]"
2 2 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 3 LEU 0.023 0.011 4 0 "[ . 1 . 2]"
2 4 ILE 0.523 0.031 11 0 "[ . 1 . 2]"
2 5 THR 0.000 0.000 . 0 "[ . 1 . 2]"
2 6 ILE 1.674 0.603 1 1 "[+ . 1 . 2]"
2 7 HIS 0.811 0.097 9 0 "[ . 1 . 2]"
2 8 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
2 9 ARG 0.399 0.079 9 0 "[ . 1 . 2]"
2 10 LYS 0.639 0.097 9 0 "[ . 1 . 2]"
2 11 GLU 0.811 0.057 12 0 "[ . 1 . 2]"
2 12 PHE 3.285 0.283 19 0 "[ . 1 . 2]"
2 13 ALA 0.767 0.085 10 0 "[ . 1 . 2]"
2 14 LYS 2.613 0.392 6 0 "[ . 1 . 2]"
2 15 PHE 5.465 0.883 18 2 "[ . - 1 . + 2]"
2 16 GLU 2.883 0.084 1 0 "[ . 1 . 2]"
2 17 GLU 0.213 0.032 16 0 "[ . 1 . 2]"
2 18 GLU 2.546 0.491 16 0 "[ . 1 . 2]"
2 19 ARG 1.592 0.084 1 0 "[ . 1 . 2]"
2 20 ALA 0.154 0.035 5 0 "[ . 1 . 2]"
2 21 ARG 2.904 0.491 16 0 "[ . 1 . 2]"
2 22 ALA 2.103 0.077 7 0 "[ . 1 . 2]"
2 23 LYS 0.433 0.070 20 0 "[ . 1 . 2]"
2 24 TRP 1.439 0.051 11 0 "[ . 1 . 2]"
2 25 VAL 0.973 0.051 11 0 "[ . 1 . 2]"
2 26 PTR 0.306 0.047 17 0 "[ . 1 . 2]"
2 27 SER 0.276 0.052 2 0 "[ . 1 . 2]"
2 28 PRO 0.610 0.235 3 0 "[ . 1 . 2]"
2 29 LEU 0.216 0.048 18 0 "[ . 1 . 2]"
2 30 HIS 3.077 0.449 20 0 "[ . 1 . 2]"
2 31 TYR 3.191 0.449 20 0 "[ . 1 . 2]"
2 32 SER 0.152 0.028 12 0 "[ . 1 . 2]"
2 33 ALA 0.102 0.026 10 0 "[ . 1 . 2]"
2 34 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 1 PRO HA 1 2 LEU H 1.800 . 3.000 2.262 2.217 2.271 . 0 0 "[ . 1 . 2]" 1
2 1 1 PRO QB 1 2 LEU H 1.800 . 4.600 3.010 2.995 3.094 . 0 0 "[ . 1 . 2]" 1
3 1 1 PRO HD3 1 2 LEU H 1.800 . 6.000 5.660 5.464 5.772 . 0 0 "[ . 1 . 2]" 1
4 1 1 PRO HD2 1 2 LEU H 1.800 . 6.000 5.584 5.475 5.774 . 0 0 "[ . 1 . 2]" 1
5 1 1 PRO QG 1 2 LEU H 1.800 . 4.600 4.616 4.611 4.638 0.038 8 0 "[ . 1 . 2]" 1
6 1 2 LEU H 1 2 LEU QB 1.800 . 3.000 2.439 2.292 3.038 0.038 8 0 "[ . 1 . 2]" 1
7 1 2 LEU H 1 2 LEU MD1 1.800 . 6.000 3.764 2.515 4.695 . 0 0 "[ . 1 . 2]" 1
8 1 2 LEU H 1 2 LEU MD2 1.800 . 6.000 4.273 2.191 4.590 . 0 0 "[ . 1 . 2]" 1
9 1 2 LEU H 1 2 LEU HG 1.800 . 4.600 4.099 2.470 4.603 0.003 11 0 "[ . 1 . 2]" 1
10 1 2 LEU H 1 3 GLY H 1.800 . 4.600 4.379 3.734 4.453 . 0 0 "[ . 1 . 2]" 1
11 1 1 PRO HA 1 3 GLY H 1.800 . 6.000 5.999 5.587 6.066 0.066 8 0 "[ . 1 . 2]" 1
12 1 2 LEU HA 1 3 GLY H 1.800 . 3.000 2.173 2.154 2.178 . 0 0 "[ . 1 . 2]" 1
13 1 2 LEU QB 1 3 GLY H 1.800 . 6.000 3.607 3.200 3.875 . 0 0 "[ . 1 . 2]" 1
14 1 2 LEU MD1 1 3 GLY H 1.800 . 6.000 4.336 3.219 5.230 . 0 0 "[ . 1 . 2]" 1
15 1 2 LEU MD2 1 3 GLY H 1.800 . 6.000 4.111 2.604 5.162 . 0 0 "[ . 1 . 2]" 1
16 1 2 LEU HG 1 3 GLY H 1.800 . 4.600 3.820 3.108 4.665 0.065 3 0 "[ . 1 . 2]" 1
17 1 3 GLY H 1 6 VAL MG2 1.800 . 6.000 5.558 3.447 6.009 0.009 11 0 "[ . 1 . 2]" 1
18 1 3 GLY QA 1 4 SER H 1.800 . 3.800 2.351 2.239 2.416 . 0 0 "[ . 1 . 2]" 1
19 1 4 SER H 1 5 GLY H 1.800 . 4.600 4.307 2.329 4.562 . 0 0 "[ . 1 . 2]" 1
20 1 4 SER HA 1 5 GLY H 1.800 . 3.800 2.279 2.169 3.604 . 0 0 "[ . 1 . 2]" 1
21 1 5 GLY H 1 6 VAL MG1 1.800 . 6.000 5.710 5.136 6.012 0.012 6 0 "[ . 1 . 2]" 1
22 1 5 GLY H 1 6 VAL MG2 1.800 . 6.000 3.401 2.548 4.832 . 0 0 "[ . 1 . 2]" 1
23 1 5 GLY H 1 6 VAL H 1.800 . 3.800 2.832 2.529 3.802 0.002 6 0 "[ . 1 . 2]" 1
24 1 4 SER HA 1 6 VAL H 1.800 . 4.600 4.570 4.354 4.606 0.006 5 0 "[ . 1 . 2]" 1
25 1 5 GLY QA 1 6 VAL H 1.800 . 3.000 2.450 2.413 2.519 . 0 0 "[ . 1 . 2]" 1
26 1 6 VAL H 1 6 VAL HA 1.800 . 3.000 2.960 2.941 2.966 . 0 0 "[ . 1 . 2]" 1
27 1 6 VAL H 1 6 VAL HB 1.800 . 3.000 2.707 2.644 2.813 . 0 0 "[ . 1 . 2]" 1
28 1 6 VAL H 1 6 VAL MG1 1.800 . 4.600 3.908 3.868 3.961 . 0 0 "[ . 1 . 2]" 1
29 1 6 VAL H 1 6 VAL MG2 1.800 . 3.000 2.513 2.319 2.771 . 0 0 "[ . 1 . 2]" 1
30 1 6 VAL H 1 7 SER H 1.800 . 6.000 4.493 4.400 4.570 . 0 0 "[ . 1 . 2]" 1
31 1 6 VAL H 1 8 PHE QE 1.800 . 4.600 4.600 4.512 4.616 0.016 16 0 "[ . 1 . 2]" 1
32 1 6 VAL H 1 29 THR MG 1.800 . 6.000 5.122 4.925 5.233 . 0 0 "[ . 1 . 2]" 1
33 1 6 VAL HA 1 7 SER H 1.800 . 3.000 2.217 2.209 2.230 . 0 0 "[ . 1 . 2]" 1
34 1 6 VAL HB 1 7 SER H 1.800 . 4.600 4.032 4.004 4.052 . 0 0 "[ . 1 . 2]" 1
35 1 6 VAL MG1 1 7 SER H 1.800 . 3.000 2.536 2.491 2.566 . 0 0 "[ . 1 . 2]" 1
36 1 6 VAL MG2 1 7 SER H 1.800 . 4.600 4.119 4.098 4.137 . 0 0 "[ . 1 . 2]" 1
37 1 7 SER H 1 7 SER HA 1.800 . 3.000 2.949 2.939 2.953 . 0 0 "[ . 1 . 2]" 1
38 1 7 SER H 1 7 SER QB 1.800 . 3.000 2.477 2.405 2.839 . 0 0 "[ . 1 . 2]" 1
39 1 7 SER H 1 8 PHE H 1.800 . 6.000 4.420 4.344 4.463 . 0 0 "[ . 1 . 2]" 1
40 1 7 SER H 1 28 ILE HB 1.800 . 6.000 4.552 4.449 4.664 . 0 0 "[ . 1 . 2]" 1
41 1 7 SER H 1 28 ILE MD 1.800 . 6.000 5.868 5.188 6.010 0.010 10 0 "[ . 1 . 2]" 1
42 1 7 SER H 1 29 THR MG 1.800 . 3.800 3.790 3.644 3.817 0.017 4 0 "[ . 1 . 2]" 1
43 1 8 PHE H 1 8 PHE QB 1.800 . 3.800 2.429 2.386 2.466 . 0 0 "[ . 1 . 2]" 1
44 1 8 PHE H 1 8 PHE QD 1.800 . 3.800 2.953 2.817 3.257 . 0 0 "[ . 1 . 2]" 1
45 1 8 PHE H 1 28 ILE H 1.800 . 6.000 5.163 5.052 5.254 . 0 0 "[ . 1 . 2]" 1
46 1 8 PHE HA 1 9 PHE H 1.800 . 3.000 2.215 2.191 2.239 . 0 0 "[ . 1 . 2]" 1
47 1 8 PHE QB 1 9 PHE H 1.800 . 3.800 2.989 2.914 3.045 . 0 0 "[ . 1 . 2]" 1
48 1 8 PHE QD 1 9 PHE H 1.800 . 3.800 3.741 3.415 3.812 0.012 3 0 "[ . 1 . 2]" 1
49 1 8 PHE H 1 9 PHE H 1.800 . 6.000 4.521 4.488 4.553 . 0 0 "[ . 1 . 2]" 1
50 1 9 PHE H 1 9 PHE HB3 1.800 . 3.800 3.765 3.736 3.796 . 0 0 "[ . 1 . 2]" 1
51 1 9 PHE H 1 9 PHE QD 1.800 . 3.800 3.056 2.742 3.366 . 0 0 "[ . 1 . 2]" 1
52 1 9 PHE H 1 9 PHE QE 1.800 . 6.000 5.122 4.893 5.327 . 0 0 "[ . 1 . 2]" 1
53 1 9 PHE H 1 10 LEU H 1.800 . 6.000 4.473 4.463 4.489 . 0 0 "[ . 1 . 2]" 1
54 1 9 PHE H 1 26 LEU HB2 1.800 . 6.000 4.797 4.502 4.937 . 0 0 "[ . 1 . 2]" 1
55 1 9 PHE H 1 26 LEU QD 1.800 . 6.000 4.331 4.026 4.544 . 0 0 "[ . 1 . 2]" 1
56 1 9 PHE H 1 28 ILE H 1.800 . 6.000 4.779 4.555 4.944 . 0 0 "[ . 1 . 2]" 1
57 1 9 PHE HA 1 10 LEU H 1.800 . 3.000 2.265 2.261 2.267 . 0 0 "[ . 1 . 2]" 1
58 1 9 PHE HB3 1 10 LEU H 1.800 . 4.600 2.925 2.913 2.941 . 0 0 "[ . 1 . 2]" 1
59 1 9 PHE HB2 1 10 LEU H 1.800 . 4.600 4.054 4.000 4.094 . 0 0 "[ . 1 . 2]" 1
60 1 9 PHE QD 1 10 LEU H 1.800 . 4.600 3.822 3.566 4.117 . 0 0 "[ . 1 . 2]" 1
61 1 10 LEU H 1 10 LEU HB3 1.800 . 3.800 3.089 2.653 3.642 . 0 0 "[ . 1 . 2]" 1
62 1 10 LEU H 1 10 LEU HB2 1.800 . 3.000 2.478 2.359 2.566 . 0 0 "[ . 1 . 2]" 1
63 1 10 LEU H 1 10 LEU QD 1.800 . 6.000 3.593 3.293 3.857 . 0 0 "[ . 1 . 2]" 1
64 1 10 LEU H 1 11 VAL H 1.800 . 4.600 4.419 4.375 4.457 . 0 0 "[ . 1 . 2]" 1
65 1 10 LEU HA 1 11 VAL H 1.800 . 3.800 2.178 2.171 2.186 . 0 0 "[ . 1 . 2]" 1
66 1 10 LEU HB3 1 11 VAL H 1.800 . 6.000 3.980 3.533 4.283 . 0 0 "[ . 1 . 2]" 1
67 1 10 LEU HB2 1 11 VAL H 1.800 . 4.600 4.475 4.371 4.613 0.013 20 0 "[ . 1 . 2]" 1
68 1 10 LEU QD 1 11 VAL H 1.800 . 3.800 3.344 2.555 3.730 . 0 0 "[ . 1 . 2]" 1
69 1 10 LEU HG 1 11 VAL H 1.800 . 6.000 4.152 3.221 5.145 . 0 0 "[ . 1 . 2]" 1
70 1 11 VAL H 1 25 LEU HA 1.800 . 3.800 3.677 3.580 3.806 0.006 14 0 "[ . 1 . 2]" 1
71 1 11 VAL HA 1 12 LYS H 1.800 . 3.000 2.341 2.294 2.416 . 0 0 "[ . 1 . 2]" 1
72 1 11 VAL QG 1 12 LYS H 1.800 . 3.800 3.272 3.202 3.326 . 0 0 "[ . 1 . 2]" 1
73 1 12 LYS H 1 12 LYS QB 1.800 . 3.800 2.499 2.450 2.556 . 0 0 "[ . 1 . 2]" 1
74 1 12 LYS H 1 12 LYS QD 1.800 . 6.000 4.296 4.216 4.458 . 0 0 "[ . 1 . 2]" 1
75 1 12 LYS H 1 12 LYS QE 1.800 . 6.000 5.200 5.033 5.733 . 0 0 "[ . 1 . 2]" 1
76 1 12 LYS H 1 77 GLN HA 1.800 . 6.000 4.696 4.604 4.977 . 0 0 "[ . 1 . 2]" 1
77 1 12 LYS H 1 77 GLN HB3 1.800 . 3.800 2.998 2.603 3.352 . 0 0 "[ . 1 . 2]" 1
78 1 12 LYS H 1 78 THR HB 1.800 . 6.000 5.548 5.248 5.988 . 0 0 "[ . 1 . 2]" 1
79 1 11 VAL QG 1 13 GLU H 1.800 . 6.000 4.891 4.580 5.185 . 0 0 "[ . 1 . 2]" 1
80 1 12 LYS HA 1 13 GLU H 1.800 . 4.600 2.229 2.172 2.305 . 0 0 "[ . 1 . 2]" 1
81 1 12 LYS QB 1 13 GLU H 1.800 . 3.800 2.989 2.718 3.245 . 0 0 "[ . 1 . 2]" 1
82 1 12 LYS QE 1 13 GLU H 1.800 . 6.000 6.012 5.986 6.031 0.031 17 0 "[ . 1 . 2]" 1
83 1 13 GLU H 1 13 GLU QG 1.800 . 4.600 3.851 2.267 4.251 . 0 0 "[ . 1 . 2]" 1
84 1 13 GLU H 1 21 LEU QB 1.800 . 6.000 4.138 3.786 4.401 . 0 0 "[ . 1 . 2]" 1
85 1 13 GLU H 1 22 VAL HB 1.800 . 6.000 4.898 3.670 5.406 . 0 0 "[ . 1 . 2]" 1
86 1 13 GLU H 1 22 VAL QG 1.800 . 6.000 3.390 2.841 4.338 . 0 0 "[ . 1 . 2]" 1
87 1 13 GLU HA 1 14 LYS H 1.800 . 3.000 2.303 2.261 2.364 . 0 0 "[ . 1 . 2]" 1
88 1 13 GLU HB3 1 14 LYS H 1.800 . 4.600 3.592 2.609 3.901 . 0 0 "[ . 1 . 2]" 1
89 1 13 GLU QG 1 14 LYS H 1.800 . 4.600 2.643 2.124 4.166 . 0 0 "[ . 1 . 2]" 1
90 1 13 GLU H 1 14 LYS H 1.800 . 4.600 4.509 4.423 4.561 . 0 0 "[ . 1 . 2]" 1
91 1 14 LYS H 1 14 LYS QB 1.800 . 3.800 2.556 2.264 2.761 . 0 0 "[ . 1 . 2]" 1
92 1 14 LYS H 1 14 LYS QD 1.800 . 4.600 4.181 3.958 4.579 . 0 0 "[ . 1 . 2]" 1
93 1 14 LYS H 1 21 LEU MD2 1.800 . 3.800 3.241 2.871 3.810 0.010 18 0 "[ . 1 . 2]" 1
94 1 14 LYS H 1 76 VAL HA 1.800 . 6.000 4.671 4.367 5.005 . 0 0 "[ . 1 . 2]" 1
95 1 14 LYS H 1 76 VAL QG 1.800 . 4.600 4.185 3.778 4.499 . 0 0 "[ . 1 . 2]" 1
96 1 14 LYS HA 1 15 MET H 1.800 . 3.000 2.223 2.215 2.232 . 0 0 "[ . 1 . 2]" 1
97 1 14 LYS QD 1 15 MET H 1.800 . 3.800 3.476 2.284 3.804 0.004 19 0 "[ . 1 . 2]" 1
98 1 14 LYS QG 1 15 MET H 1.800 . 6.000 3.682 2.424 4.417 . 0 0 "[ . 1 . 2]" 1
99 1 15 MET H 1 15 MET HB2 1.800 . 3.800 2.513 2.366 2.839 . 0 0 "[ . 1 . 2]" 1
100 1 15 MET H 1 15 MET HB3 1.800 . 3.000 2.877 2.678 3.616 0.616 3 3 "[ + . * 1 - . 2]" 1
101 1 15 MET H 1 15 MET QG 1.800 . 4.600 3.817 2.515 4.147 . 0 0 "[ . 1 . 2]" 1
102 1 15 MET H 1 16 LYS H 1.800 . 6.000 4.623 4.536 4.663 . 0 0 "[ . 1 . 2]" 1
103 1 15 MET H 1 20 LYS H 1.800 . 4.600 3.511 3.007 4.334 . 0 0 "[ . 1 . 2]" 1
104 1 15 MET H 1 21 LEU HA 1.800 . 4.600 3.943 3.552 4.094 . 0 0 "[ . 1 . 2]" 1
105 1 15 MET H 1 21 LEU MD2 1.800 . 4.600 4.361 4.007 4.572 . 0 0 "[ . 1 . 2]" 1
106 1 15 MET HA 1 16 LYS H 1.800 . 3.000 2.320 2.251 2.378 . 0 0 "[ . 1 . 2]" 1
107 1 15 MET HB2 1 16 LYS H 1.800 . 4.600 4.109 3.806 4.254 . 0 0 "[ . 1 . 2]" 1
108 1 15 MET QG 1 16 LYS H 1.800 . 3.800 2.502 2.194 3.765 . 0 0 "[ . 1 . 2]" 1
109 1 16 LYS H 1 16 LYS QB 1.800 . 3.000 2.479 2.384 2.769 . 0 0 "[ . 1 . 2]" 1
110 1 16 LYS H 1 16 LYS QD 1.800 . 3.800 3.817 3.809 3.831 0.031 14 0 "[ . 1 . 2]" 1
111 1 16 LYS H 1 16 LYS HG3 1.800 . 3.800 2.865 2.463 3.697 . 0 0 "[ . 1 . 2]" 1
112 1 16 LYS H 1 22 VAL QG 1.800 . 6.000 5.889 5.181 6.024 0.024 8 0 "[ . 1 . 2]" 1
113 1 16 LYS QB 1 17 GLY H 1.800 . 6.000 3.021 2.586 3.906 . 0 0 "[ . 1 . 2]" 1
114 1 16 LYS QD 1 17 GLY H 1.800 . 6.000 4.909 3.574 5.923 . 0 0 "[ . 1 . 2]" 1
115 1 16 LYS HG3 1 17 GLY H 1.800 . 6.000 4.419 2.579 5.140 . 0 0 "[ . 1 . 2]" 1
116 1 16 LYS HG2 1 17 GLY H 1.800 . 6.000 4.417 2.677 5.136 . 0 0 "[ . 1 . 2]" 1
117 1 17 GLY H 1 17 GLY HA2 1.800 . 3.000 2.648 2.356 2.888 . 0 0 "[ . 1 . 2]" 1
118 1 17 GLY H 1 18 LYS H 1.800 . 4.600 3.150 2.651 3.786 . 0 0 "[ . 1 . 2]" 1
119 1 15 MET HB2 1 18 LYS H 1.800 . 6.000 4.920 3.024 6.003 0.003 18 0 "[ . 1 . 2]" 1
120 1 15 MET HB3 1 18 LYS H 1.800 . 4.600 3.453 2.761 4.279 . 0 0 "[ . 1 . 2]" 1
121 1 15 MET QG 1 18 LYS H 1.800 . 4.600 4.057 3.096 4.632 0.032 3 0 "[ . 1 . 2]" 1
122 1 17 GLY HA3 1 18 LYS H 1.800 . 3.800 2.564 2.461 2.663 . 0 0 "[ . 1 . 2]" 1
123 1 17 GLY HA2 1 18 LYS H 1.800 . 3.800 3.591 3.576 3.600 . 0 0 "[ . 1 . 2]" 1
124 1 18 LYS H 1 18 LYS QD 1.800 . 4.600 3.942 2.348 4.321 . 0 0 "[ . 1 . 2]" 1
125 1 18 LYS H 1 18 LYS QE 1.800 . 6.000 4.831 4.288 5.323 . 0 0 "[ . 1 . 2]" 1
126 1 19 ASN HA 1 20 LYS H 1.800 . 3.000 2.417 2.278 2.494 . 0 0 "[ . 1 . 2]" 1
127 1 19 ASN HB2 1 20 LYS H 1.800 . 6.000 4.501 4.283 4.569 . 0 0 "[ . 1 . 2]" 1
128 1 19 ASN HB3 1 20 LYS H 1.800 . 4.600 4.342 4.081 4.661 0.061 19 0 "[ . 1 . 2]" 1
129 1 20 LYS H 1 20 LYS QB 1.800 . 3.800 2.875 2.639 3.334 . 0 0 "[ . 1 . 2]" 1
130 1 20 LYS H 1 20 LYS QD 1.800 . 6.000 4.661 4.452 4.951 . 0 0 "[ . 1 . 2]" 1
131 1 20 LYS H 1 20 LYS HG2 1.800 . 4.600 3.985 2.585 4.806 0.206 4 0 "[ . 1 . 2]" 1
132 1 20 LYS H 1 21 LEU H 1.800 . 4.600 4.424 4.375 4.462 . 0 0 "[ . 1 . 2]" 1
133 1 20 LYS HA 1 21 LEU H 1.800 . 3.000 2.361 2.281 2.471 . 0 0 "[ . 1 . 2]" 1
134 1 20 LYS HG2 1 21 LEU H 1.800 . 4.600 3.762 2.351 4.957 0.357 9 0 "[ . 1 . 2]" 1
135 1 21 LEU H 1 21 LEU QB 1.800 . 3.000 2.415 2.386 2.464 . 0 0 "[ . 1 . 2]" 1
136 1 21 LEU H 1 21 LEU MD1 1.800 . 4.600 3.691 3.626 3.825 . 0 0 "[ . 1 . 2]" 1
137 1 21 LEU H 1 21 LEU MD2 1.800 . 6.000 3.963 3.822 4.126 . 0 0 "[ . 1 . 2]" 1
138 1 12 LYS HA 1 22 VAL H 1.800 . 6.000 4.222 4.066 4.481 . 0 0 "[ . 1 . 2]" 1
139 1 12 LYS QB 1 22 VAL H 1.800 . 6.000 3.368 3.128 3.696 . 0 0 "[ . 1 . 2]" 1
140 1 21 LEU HA 1 22 VAL H 1.800 . 3.000 2.256 2.222 2.293 . 0 0 "[ . 1 . 2]" 1
141 1 21 LEU QB 1 22 VAL H 1.800 . 6.000 2.857 2.737 2.964 . 0 0 "[ . 1 . 2]" 1
142 1 21 LEU MD2 1 22 VAL H 1.800 . 3.800 3.421 3.348 3.562 . 0 0 "[ . 1 . 2]" 1
143 1 22 VAL H 1 23 PRO HD3 1.800 . 6.000 4.850 4.712 4.986 . 0 0 "[ . 1 . 2]" 1
144 1 11 VAL QG 1 24 ARG H 1.800 . 6.000 3.828 3.649 4.056 . 0 0 "[ . 1 . 2]" 1
145 1 11 VAL H 1 24 ARG H 1.800 . 4.600 3.582 3.438 3.687 . 0 0 "[ . 1 . 2]" 1
146 1 12 LYS HA 1 24 ARG H 1.800 . 6.000 3.206 3.039 3.353 . 0 0 "[ . 1 . 2]" 1
147 1 12 LYS QB 1 24 ARG H 1.800 . 6.000 5.016 4.943 5.112 . 0 0 "[ . 1 . 2]" 1
148 1 12 LYS QD 1 24 ARG H 1.800 . 6.000 5.861 5.664 6.013 0.013 6 0 "[ . 1 . 2]" 1
149 1 12 LYS QG 1 24 ARG H 1.800 . 6.000 3.727 3.513 3.909 . 0 0 "[ . 1 . 2]" 1
150 1 13 GLU H 1 24 ARG H 1.800 . 6.000 4.643 4.341 4.884 . 0 0 "[ . 1 . 2]" 1
151 1 23 PRO HA 1 24 ARG H 1.800 . 6.000 2.204 2.187 2.220 . 0 0 "[ . 1 . 2]" 1
152 1 23 PRO HB3 1 24 ARG H 1.800 . 6.000 3.813 3.404 4.026 . 0 0 "[ . 1 . 2]" 1
153 1 23 PRO HB2 1 24 ARG H 1.800 . 6.000 3.488 3.299 3.790 . 0 0 "[ . 1 . 2]" 1
154 1 24 ARG HE 1 24 ARG QG 1.800 . 3.800 2.505 2.274 3.226 . 0 0 "[ . 1 . 2]" 1
155 1 24 ARG HA 1 25 LEU H 1.800 . 3.800 2.313 2.268 2.384 . 0 0 "[ . 1 . 2]" 1
156 1 24 ARG QB 1 25 LEU H 1.800 . 6.000 3.355 2.537 3.561 . 0 0 "[ . 1 . 2]" 1
157 1 24 ARG HD3 1 25 LEU H 1.800 . 6.000 4.343 3.397 4.787 . 0 0 "[ . 1 . 2]" 1
158 1 24 ARG HD2 1 25 LEU H 1.800 . 6.000 4.689 3.599 5.895 . 0 0 "[ . 1 . 2]" 1
159 1 24 ARG QG 1 25 LEU H 1.800 . 6.000 2.442 2.175 3.860 . 0 0 "[ . 1 . 2]" 1
160 1 24 ARG H 1 25 LEU H 1.800 . 4.600 4.405 4.372 4.438 . 0 0 "[ . 1 . 2]" 1
161 1 25 LEU H 1 25 LEU HB3 1.800 . 3.800 3.652 3.617 3.687 . 0 0 "[ . 1 . 2]" 1
162 1 25 LEU H 1 25 LEU MD1 1.800 . 4.600 3.671 3.609 3.814 . 0 0 "[ . 1 . 2]" 1
163 1 25 LEU H 1 25 LEU MD2 1.800 . 4.600 3.962 3.799 4.044 . 0 0 "[ . 1 . 2]" 1
164 1 25 LEU H 1 25 LEU HG 1.800 . 4.600 2.863 2.646 3.016 . 0 0 "[ . 1 . 2]" 1
165 1 25 LEU H 1 26 LEU H 1.800 . 4.600 4.565 4.508 4.607 0.007 13 0 "[ . 1 . 2]" 1
166 1 25 LEU H 1 36 VAL H 1.800 . 4.600 4.387 4.125 4.611 0.011 19 0 "[ . 1 . 2]" 1
167 1 25 LEU H 1 38 GLU HA 1.800 . 6.000 4.327 4.003 4.914 . 0 0 "[ . 1 . 2]" 1
168 1 8 PHE HA 1 26 LEU H 1.800 . 6.000 4.429 4.195 4.566 . 0 0 "[ . 1 . 2]" 1
169 1 9 PHE H 1 26 LEU H 1.800 . 4.600 3.077 2.789 3.209 . 0 0 "[ . 1 . 2]" 1
170 1 10 LEU HA 1 26 LEU H 1.800 . 4.600 4.132 3.983 4.228 . 0 0 "[ . 1 . 2]" 1
171 1 11 VAL H 1 26 LEU H 1.800 . 4.600 4.309 4.192 4.392 . 0 0 "[ . 1 . 2]" 1
172 1 25 LEU HA 1 26 LEU H 1.800 . 3.000 2.225 2.209 2.262 . 0 0 "[ . 1 . 2]" 1
173 1 25 LEU HB3 1 26 LEU H 1.800 . 6.000 3.102 2.905 3.237 . 0 0 "[ . 1 . 2]" 1
174 1 25 LEU MD1 1 26 LEU H 1.800 . 6.000 5.043 4.921 5.141 . 0 0 "[ . 1 . 2]" 1
175 1 25 LEU HG 1 26 LEU H 1.800 . 6.000 4.938 4.853 5.044 . 0 0 "[ . 1 . 2]" 1
176 1 26 LEU H 1 26 LEU HB3 1.800 . 3.800 2.760 2.699 2.899 . 0 0 "[ . 1 . 2]" 1
177 1 26 LEU H 1 26 LEU HG 1.800 . 4.600 4.596 4.565 4.638 0.038 2 0 "[ . 1 . 2]" 1
178 1 8 PHE QD 1 27 GLY H 1.800 . 3.800 3.805 3.750 3.827 0.027 7 0 "[ . 1 . 2]" 1
179 1 26 LEU HA 1 27 GLY H 1.800 . 3.000 2.176 2.170 2.182 . 0 0 "[ . 1 . 2]" 1
180 1 26 LEU HB3 1 27 GLY H 1.800 . 4.600 4.273 4.176 4.315 . 0 0 "[ . 1 . 2]" 1
181 1 26 LEU HB2 1 27 GLY H 1.800 . 6.000 4.456 4.424 4.525 . 0 0 "[ . 1 . 2]" 1
182 1 26 LEU QD 1 27 GLY H 1.800 . 3.800 3.023 2.938 3.223 . 0 0 "[ . 1 . 2]" 1
183 1 26 LEU HG 1 27 GLY H 1.800 . 3.800 3.328 3.232 3.461 . 0 0 "[ . 1 . 2]" 1
184 1 27 GLY H 1 27 GLY HA3 1.800 . 3.000 2.387 2.362 2.406 . 0 0 "[ . 1 . 2]" 1
185 1 27 GLY H 1 28 ILE H 1.800 . 4.600 4.432 4.389 4.459 . 0 0 "[ . 1 . 2]" 1
186 1 27 GLY H 1 33 VAL HA 1.800 . 6.000 5.841 5.616 6.015 0.015 10 0 "[ . 1 . 2]" 1
187 1 27 GLY H 1 35 ARG HA 1.800 . 4.600 3.232 2.926 3.570 . 0 0 "[ . 1 . 2]" 1
188 1 27 GLY H 1 36 VAL H 1.800 . 3.800 3.679 3.515 3.804 0.004 20 0 "[ . 1 . 2]" 1
189 1 6 VAL HA 1 28 ILE H 1.800 . 6.000 5.402 5.333 5.487 . 0 0 "[ . 1 . 2]" 1
190 1 6 VAL MG1 1 28 ILE H 1.800 . 3.800 3.260 3.019 3.380 . 0 0 "[ . 1 . 2]" 1
191 1 6 VAL MG2 1 28 ILE H 1.800 . 6.000 5.751 5.550 5.882 . 0 0 "[ . 1 . 2]" 1
192 1 7 SER QB 1 28 ILE H 1.800 . 4.600 3.854 3.669 4.603 0.003 5 0 "[ . 1 . 2]" 1
193 1 7 SER H 1 28 ILE H 1.800 . 3.800 3.806 3.748 3.819 0.019 16 0 "[ . 1 . 2]" 1
194 1 8 PHE HA 1 28 ILE H 1.800 . 6.000 3.470 3.299 3.610 . 0 0 "[ . 1 . 2]" 1
195 1 8 PHE QD 1 28 ILE H 1.800 . 6.000 4.751 4.429 4.982 . 0 0 "[ . 1 . 2]" 1
196 1 27 GLY HA2 1 28 ILE H 1.800 . 3.000 2.181 2.151 2.188 . 0 0 "[ . 1 . 2]" 1
197 1 27 GLY HA3 1 28 ILE H 1.800 . 3.800 3.288 3.216 3.325 . 0 0 "[ . 1 . 2]" 1
198 1 28 ILE H 1 28 ILE MD 1.800 . 4.600 3.738 2.317 3.892 . 0 0 "[ . 1 . 2]" 1
199 1 28 ILE H 1 28 ILE HG13 1.800 . 4.600 2.618 2.529 3.325 . 0 0 "[ . 1 . 2]" 1
200 1 28 ILE H 1 28 ILE MG 1.800 . 4.600 3.922 3.899 3.935 . 0 0 "[ . 1 . 2]" 1
201 1 28 ILE H 1 29 THR H 1.800 . 6.000 4.461 4.437 4.498 . 0 0 "[ . 1 . 2]" 1
202 1 28 ILE HB 1 29 THR H 1.800 . 6.000 4.067 3.998 4.120 . 0 0 "[ . 1 . 2]" 1
203 1 28 ILE MD 1 29 THR H 1.800 . 6.000 5.225 5.134 5.292 . 0 0 "[ . 1 . 2]" 1
204 1 28 ILE HG13 1 29 THR H 1.800 . 6.000 5.080 4.506 5.146 . 0 0 "[ . 1 . 2]" 1
205 1 28 ILE HG12 1 29 THR H 1.800 . 6.000 4.669 4.594 5.073 . 0 0 "[ . 1 . 2]" 1
206 1 29 THR H 1 29 THR MG 1.800 . 3.800 2.964 2.902 3.020 . 0 0 "[ . 1 . 2]" 1
207 1 29 THR H 1 30 LYS H 1.800 . 6.000 4.468 4.455 4.476 . 0 0 "[ . 1 . 2]" 1
208 1 29 THR H 1 31 GLU H 1.800 . 4.600 4.368 4.224 4.425 . 0 0 "[ . 1 . 2]" 1
209 1 29 THR H 1 32 SER H 1.800 . 3.800 3.837 3.818 3.851 0.051 19 0 "[ . 1 . 2]" 1
210 1 29 THR H 1 34 MET ME 1.800 . 4.600 4.576 4.463 4.616 0.016 9 0 "[ . 1 . 2]" 1
211 1 29 THR H 1 34 MET H 1.800 . 6.000 4.716 4.591 4.790 . 0 0 "[ . 1 . 2]" 1
212 1 29 THR H 1 91 TYR QD 1.800 . 6.000 5.429 5.226 5.565 . 0 0 "[ . 1 . 2]" 1
213 1 29 THR H 1 91 TYR QE 1.800 . 4.600 4.625 4.614 4.638 0.038 14 0 "[ . 1 . 2]" 1
214 1 29 THR HA 1 30 LYS H 1.800 . 3.000 2.592 2.560 2.655 . 0 0 "[ . 1 . 2]" 1
215 1 29 THR HB 1 30 LYS H 1.800 . 3.000 2.189 2.130 2.225 . 0 0 "[ . 1 . 2]" 1
216 1 29 THR MG 1 30 LYS H 1.800 . 4.600 3.649 3.625 3.675 . 0 0 "[ . 1 . 2]" 1
217 1 30 LYS H 1 30 LYS QB 1.800 . 3.000 2.590 2.578 2.648 . 0 0 "[ . 1 . 2]" 1
218 1 30 LYS H 1 30 LYS QD 1.800 . 3.800 3.807 3.779 3.849 0.049 17 0 "[ . 1 . 2]" 1
219 1 30 LYS H 1 30 LYS QG 1.800 . 3.800 2.114 2.070 2.121 . 0 0 "[ . 1 . 2]" 1
220 1 30 LYS H 1 31 GLU H 1.800 . 3.800 2.746 2.726 2.769 . 0 0 "[ . 1 . 2]" 1
221 1 30 LYS H 1 32 SER H 1.800 . 4.600 4.525 4.472 4.582 . 0 0 "[ . 1 . 2]" 1
222 1 30 LYS H 1 91 TYR QD 1.800 . 6.000 5.011 4.771 5.258 . 0 0 "[ . 1 . 2]" 1
223 1 30 LYS H 1 91 TYR QE 1.800 . 4.600 4.383 4.303 4.488 . 0 0 "[ . 1 . 2]" 1
224 1 29 THR HB 1 31 GLU H 1.800 . 6.000 2.966 2.886 3.102 . 0 0 "[ . 1 . 2]" 1
225 1 29 THR MG 1 31 GLU H 1.800 . 6.000 4.290 4.264 4.310 . 0 0 "[ . 1 . 2]" 1
226 1 30 LYS HA 1 31 GLU H 1.800 . 3.800 3.402 3.348 3.423 . 0 0 "[ . 1 . 2]" 1
227 1 30 LYS QD 1 31 GLU H 1.800 . 6.000 5.036 3.619 5.200 . 0 0 "[ . 1 . 2]" 1
228 1 30 LYS QG 1 31 GLU H 1.800 . 3.800 3.082 3.015 3.236 . 0 0 "[ . 1 . 2]" 1
229 1 31 GLU H 1 31 GLU HG3 1.800 . 3.800 3.014 2.932 3.071 . 0 0 "[ . 1 . 2]" 1
230 1 31 GLU H 1 32 SER H 1.800 . 3.000 2.195 2.086 2.274 . 0 0 "[ . 1 . 2]" 1
231 1 31 GLU H 1 49 LEU HB3 1.800 . 6.000 5.820 5.696 5.926 . 0 0 "[ . 1 . 2]" 1
232 1 31 GLU H 1 49 LEU HB2 1.800 . 6.000 4.974 4.847 5.075 . 0 0 "[ . 1 . 2]" 1
233 1 28 ILE HA 1 32 SER H 1.800 . 6.000 5.733 5.700 5.759 . 0 0 "[ . 1 . 2]" 1
234 1 29 THR HB 1 32 SER H 1.800 . 6.000 3.847 3.800 3.914 . 0 0 "[ . 1 . 2]" 1
235 1 29 THR MG 1 32 SER H 1.800 . 6.000 4.241 4.188 4.276 . 0 0 "[ . 1 . 2]" 1
236 1 31 GLU HA 1 32 SER H 1.800 . 4.600 3.605 3.593 3.616 . 0 0 "[ . 1 . 2]" 1
237 1 31 GLU QB 1 32 SER H 1.800 . 4.600 3.034 2.592 3.532 . 0 0 "[ . 1 . 2]" 1
238 1 31 GLU HG3 1 32 SER H 1.800 . 4.600 3.573 2.380 4.558 . 0 0 "[ . 1 . 2]" 1
239 1 32 SER H 1 33 VAL H 1.800 . 6.000 4.451 4.447 4.456 . 0 0 "[ . 1 . 2]" 1
240 1 32 SER H 1 49 LEU HB3 1.800 . 6.000 5.456 5.372 5.546 . 0 0 "[ . 1 . 2]" 1
241 1 32 SER H 1 49 LEU HB2 1.800 . 6.000 4.295 4.140 4.433 . 0 0 "[ . 1 . 2]" 1
242 1 32 SER H 1 49 LEU MD1 1.800 . 6.000 4.872 4.709 5.028 . 0 0 "[ . 1 . 2]" 1
243 1 32 SER H 1 49 LEU MD2 1.800 . 6.000 4.949 4.681 5.152 . 0 0 "[ . 1 . 2]" 1
244 1 32 SER H 1 49 LEU H 1.800 . 6.000 5.015 4.854 5.111 . 0 0 "[ . 1 . 2]" 1
245 1 32 SER HA 1 33 VAL H 1.800 . 3.000 2.367 2.342 2.382 . 0 0 "[ . 1 . 2]" 1
246 1 32 SER HB3 1 33 VAL H 1.800 . 3.800 3.240 2.472 3.803 0.003 20 0 "[ . 1 . 2]" 1
247 1 32 SER HB2 1 33 VAL H 1.800 . 3.800 3.193 2.477 3.844 0.044 10 0 "[ . 1 . 2]" 1
248 1 33 VAL H 1 33 VAL HB 1.800 . 3.800 2.712 2.683 2.734 . 0 0 "[ . 1 . 2]" 1
249 1 33 VAL H 1 33 VAL MG1 1.800 . 4.600 3.902 3.896 3.909 . 0 0 "[ . 1 . 2]" 1
250 1 33 VAL H 1 34 MET ME 1.800 . 6.000 5.927 5.719 6.022 0.022 10 0 "[ . 1 . 2]" 1
251 1 33 VAL H 1 34 MET H 1.800 . 4.600 4.517 4.476 4.538 . 0 0 "[ . 1 . 2]" 1
252 1 33 VAL H 1 46 GLU QG 1.800 . 6.000 5.627 3.683 5.957 . 0 0 "[ . 1 . 2]" 1
253 1 33 VAL H 1 47 TRP QB 1.800 . 4.600 3.887 3.661 4.037 . 0 0 "[ . 1 . 2]" 1
254 1 33 VAL H 1 47 TRP HE3 1.800 . 6.000 4.773 4.499 4.938 . 0 0 "[ . 1 . 2]" 1
255 1 33 VAL H 1 47 TRP H 1.800 . 3.800 3.394 3.274 3.484 . 0 0 "[ . 1 . 2]" 1
256 1 33 VAL H 1 48 SER HA 1.800 . 4.600 3.585 3.443 3.684 . 0 0 "[ . 1 . 2]" 1
257 1 33 VAL H 1 49 LEU HB3 1.800 . 6.000 6.030 6.011 6.061 0.061 9 0 "[ . 1 . 2]" 1
258 1 33 VAL H 1 49 LEU H 1.800 . 4.600 4.283 4.177 4.377 . 0 0 "[ . 1 . 2]" 1
259 1 26 LEU HA 1 34 MET H 1.800 . 6.000 5.398 5.229 5.587 . 0 0 "[ . 1 . 2]" 1
260 1 26 LEU QD 1 34 MET H 1.800 . 3.800 3.745 3.720 3.763 . 0 0 "[ . 1 . 2]" 1
261 1 28 ILE MD 1 34 MET H 1.800 . 6.000 5.697 4.931 5.860 . 0 0 "[ . 1 . 2]" 1
262 1 33 VAL MG1 1 34 MET H 1.800 . 3.800 2.514 2.433 2.652 . 0 0 "[ . 1 . 2]" 1
263 1 33 VAL MG2 1 34 MET H 1.800 . 6.000 4.174 4.125 4.218 . 0 0 "[ . 1 . 2]" 1
264 1 34 MET H 1 34 MET HA 1.800 . 3.000 2.940 2.921 2.964 . 0 0 "[ . 1 . 2]" 1
265 1 34 MET H 1 34 MET ME 1.800 . 4.600 4.150 3.764 4.318 . 0 0 "[ . 1 . 2]" 1
266 1 34 MET H 1 34 MET HG2 1.800 . 6.000 2.643 2.360 4.491 . 0 0 "[ . 1 . 2]" 1
267 1 34 MET H 1 35 ARG H 1.800 . 6.000 4.445 4.415 4.482 . 0 0 "[ . 1 . 2]" 1
268 1 34 MET HA 1 35 ARG H 1.800 . 6.000 2.291 2.261 2.304 . 0 0 "[ . 1 . 2]" 1
269 1 34 MET HB3 1 35 ARG H 1.800 . 6.000 3.788 2.807 3.950 . 0 0 "[ . 1 . 2]" 1
270 1 34 MET HB2 1 35 ARG H 1.800 . 6.000 2.837 2.698 3.969 . 0 0 "[ . 1 . 2]" 1
271 1 34 MET ME 1 35 ARG H 1.800 . 6.000 6.009 5.469 6.082 0.082 1 0 "[ . 1 . 2]" 1
272 1 34 MET HG3 1 35 ARG H 1.800 . 6.000 4.150 4.049 5.023 . 0 0 "[ . 1 . 2]" 1
273 1 34 MET HG2 1 35 ARG H 1.800 . 6.000 4.878 4.208 4.987 . 0 0 "[ . 1 . 2]" 1
274 1 35 ARG H 1 36 VAL MG2 1.800 . 6.000 4.317 4.127 4.467 . 0 0 "[ . 1 . 2]" 1
275 1 35 ARG H 1 43 VAL QG 1.800 . 6.000 3.024 2.658 3.282 . 0 0 "[ . 1 . 2]" 1
276 1 35 ARG H 1 44 ILE H 1.800 . 6.000 4.161 4.048 4.334 . 0 0 "[ . 1 . 2]" 1
277 1 35 ARG H 1 45 GLN HB3 1.800 . 6.000 4.975 4.598 5.152 . 0 0 "[ . 1 . 2]" 1
278 1 35 ARG H 1 45 GLN H 1.800 . 3.800 3.537 3.398 3.729 . 0 0 "[ . 1 . 2]" 1
279 1 35 ARG H 1 47 TRP H 1.800 . 6.000 5.447 5.211 5.622 . 0 0 "[ . 1 . 2]" 1
280 1 25 LEU HB2 1 36 VAL H 1.800 . 6.000 3.944 3.629 4.363 . 0 0 "[ . 1 . 2]" 1
281 1 35 ARG HA 1 36 VAL H 1.800 . 3.000 2.197 2.179 2.238 . 0 0 "[ . 1 . 2]" 1
282 1 35 ARG QB 1 36 VAL H 1.800 . 4.600 3.412 2.892 3.902 . 0 0 "[ . 1 . 2]" 1
283 1 36 VAL H 1 36 VAL HB 1.800 . 3.000 2.714 2.668 2.784 . 0 0 "[ . 1 . 2]" 1
284 1 36 VAL H 1 36 VAL MG2 1.800 . 3.800 2.626 2.477 2.756 . 0 0 "[ . 1 . 2]" 1
285 1 36 VAL HB 1 37 ASP H 1.800 . 4.600 4.031 4.008 4.127 . 0 0 "[ . 1 . 2]" 1
286 1 36 VAL MG1 1 37 ASP H 1.800 . 3.800 2.494 2.471 2.663 . 0 0 "[ . 1 . 2]" 1
287 1 36 VAL MG2 1 37 ASP H 1.800 . 6.000 4.076 4.037 4.150 . 0 0 "[ . 1 . 2]" 1
288 1 37 ASP H 1 37 ASP HB3 1.800 . 3.800 2.808 2.701 3.012 . 0 0 "[ . 1 . 2]" 1
289 1 37 ASP H 1 37 ASP HB2 1.800 . 3.800 2.416 2.282 2.474 . 0 0 "[ . 1 . 2]" 1
290 1 37 ASP H 1 38 GLU H 1.800 . 6.000 4.590 4.552 4.619 . 0 0 "[ . 1 . 2]" 1
291 1 37 ASP H 1 41 LYS HA 1.800 . 6.000 3.985 3.842 4.159 . 0 0 "[ . 1 . 2]" 1
292 1 37 ASP H 1 41 LYS H 1.800 . 6.000 4.171 4.070 4.280 . 0 0 "[ . 1 . 2]" 1
293 1 37 ASP H 1 42 GLU QB 1.800 . 4.600 4.369 4.251 4.494 . 0 0 "[ . 1 . 2]" 1
294 1 37 ASP H 1 42 GLU H 1.800 . 3.800 2.769 2.695 2.914 . 0 0 "[ . 1 . 2]" 1
295 1 37 ASP H 1 43 VAL HA 1.800 . 6.000 4.046 3.770 4.308 . 0 0 "[ . 1 . 2]" 1
296 1 37 ASP H 1 44 ILE MD 1.800 . 6.000 3.493 2.467 3.910 . 0 0 "[ . 1 . 2]" 1
297 1 37 ASP H 1 44 ILE H 1.800 . 4.600 4.621 4.599 4.637 0.037 3 0 "[ . 1 . 2]" 1
298 1 24 ARG HA 1 38 GLU H 1.800 . 4.600 3.300 2.919 4.096 . 0 0 "[ . 1 . 2]" 1
299 1 25 LEU MD1 1 38 GLU H 1.800 . 6.000 4.162 3.832 4.742 . 0 0 "[ . 1 . 2]" 1
300 1 25 LEU HG 1 38 GLU H 1.800 . 6.000 4.545 4.085 4.925 . 0 0 "[ . 1 . 2]" 1
301 1 25 LEU H 1 38 GLU H 1.800 . 4.600 3.508 3.340 4.075 . 0 0 "[ . 1 . 2]" 1
302 1 37 ASP HA 1 38 GLU H 1.800 . 4.600 2.206 2.190 2.227 . 0 0 "[ . 1 . 2]" 1
303 1 37 ASP HB3 1 38 GLU H 1.800 . 6.000 3.931 3.728 4.033 . 0 0 "[ . 1 . 2]" 1
304 1 37 ASP HB2 1 38 GLU H 1.800 . 4.600 4.371 4.344 4.430 . 0 0 "[ . 1 . 2]" 1
305 1 38 GLU H 1 38 GLU QB 1.800 . 3.000 2.271 2.198 2.587 . 0 0 "[ . 1 . 2]" 1
306 1 38 GLU H 1 38 GLU QG 1.800 . 4.600 3.684 2.154 3.960 . 0 0 "[ . 1 . 2]" 1
307 1 38 GLU H 1 39 LYS H 1.800 . 3.800 2.765 2.748 2.796 . 0 0 "[ . 1 . 2]" 1
308 1 38 GLU H 1 40 THR H 1.800 . 6.000 4.670 4.554 4.722 . 0 0 "[ . 1 . 2]" 1
309 1 37 ASP HA 1 39 LYS H 1.800 . 4.600 4.094 4.010 4.277 . 0 0 "[ . 1 . 2]" 1
310 1 37 ASP HB3 1 39 LYS H 1.800 . 6.000 3.641 3.429 3.816 . 0 0 "[ . 1 . 2]" 1
311 1 38 GLU HA 1 39 LYS H 1.800 . 6.000 3.550 3.530 3.583 . 0 0 "[ . 1 . 2]" 1
312 1 38 GLU QB 1 39 LYS H 1.800 . 6.000 2.988 2.715 3.659 . 0 0 "[ . 1 . 2]" 1
313 1 38 GLU QG 1 39 LYS H 1.800 . 6.000 3.946 2.451 4.595 . 0 0 "[ . 1 . 2]" 1
314 1 39 LYS H 1 39 LYS HB3 1.800 . 3.800 3.119 2.722 3.642 . 0 0 "[ . 1 . 2]" 1
315 1 39 LYS H 1 39 LYS HB2 1.800 . 3.800 2.757 2.387 3.683 . 0 0 "[ . 1 . 2]" 1
316 1 39 LYS H 1 39 LYS QD 1.800 . 6.000 4.044 2.222 4.517 . 0 0 "[ . 1 . 2]" 1
317 1 39 LYS H 1 39 LYS HG3 1.800 . 4.600 3.403 2.508 4.565 . 0 0 "[ . 1 . 2]" 1
318 1 39 LYS H 1 39 LYS HG2 1.800 . 4.600 3.633 2.100 4.587 . 0 0 "[ . 1 . 2]" 1
319 1 39 LYS H 1 40 THR MG 1.800 . 4.600 4.569 4.541 4.600 . 13 0 "[ . 1 . 2]" 1
320 1 39 LYS H 1 40 THR H 1.800 . 3.000 2.642 2.622 2.663 . 0 0 "[ . 1 . 2]" 1
321 1 39 LYS H 1 41 LYS HA 1.800 . 6.000 5.475 5.412 5.567 . 0 0 "[ . 1 . 2]" 1
322 1 39 LYS H 1 41 LYS H 1.800 . 3.800 3.756 3.712 3.824 0.024 11 0 "[ . 1 . 2]" 1
323 1 37 ASP HB3 1 40 THR H 1.800 . 6.000 2.642 2.448 2.783 . 0 0 "[ . 1 . 2]" 1
324 1 37 ASP HB2 1 40 THR H 1.800 . 4.600 4.269 4.163 4.321 . 0 0 "[ . 1 . 2]" 1
325 1 38 GLU HA 1 40 THR H 1.800 . 6.000 5.098 4.997 5.151 . 0 0 "[ . 1 . 2]" 1
326 1 39 LYS HA 1 40 THR H 1.800 . 6.000 3.612 3.603 3.617 . 0 0 "[ . 1 . 2]" 1
327 1 39 LYS QB 1 40 THR H 1.800 . 3.800 2.700 2.432 3.453 . 0 0 "[ . 1 . 2]" 1
328 1 39 LYS QD 1 40 THR H 1.800 . 4.600 4.428 3.646 4.612 0.012 18 0 "[ . 1 . 2]" 1
329 1 39 LYS HG3 1 40 THR H 1.800 . 6.000 4.080 2.216 5.019 . 0 0 "[ . 1 . 2]" 1
330 1 40 THR H 1 40 THR MG 1.800 . 3.000 2.602 2.546 2.703 . 0 0 "[ . 1 . 2]" 1
331 1 40 THR H 1 41 LYS HA 1.800 . 6.000 4.697 4.646 4.743 . 0 0 "[ . 1 . 2]" 1
332 1 40 THR H 1 41 LYS H 1.800 . 3.000 2.452 2.402 2.495 . 0 0 "[ . 1 . 2]" 1
333 1 40 THR H 1 42 GLU H 1.800 . 4.600 4.378 4.324 4.480 . 0 0 "[ . 1 . 2]" 1
334 1 37 ASP HB3 1 41 LYS H 1.800 . 6.000 2.841 2.709 2.972 . 0 0 "[ . 1 . 2]" 1
335 1 37 ASP HB2 1 41 LYS H 1.800 . 6.000 4.470 4.284 4.585 . 0 0 "[ . 1 . 2]" 1
336 1 40 THR HA 1 41 LYS H 1.800 . 6.000 3.489 3.483 3.493 . 0 0 "[ . 1 . 2]" 1
337 1 40 THR HB 1 41 LYS H 1.800 . 4.600 4.043 4.005 4.065 . 0 0 "[ . 1 . 2]" 1
338 1 41 LYS H 1 41 LYS HA 1.800 . 3.000 2.264 2.261 2.266 . 0 0 "[ . 1 . 2]" 1
339 1 41 LYS H 1 41 LYS QD 1.800 . 3.800 3.341 2.663 3.849 0.049 8 0 "[ . 1 . 2]" 1
340 1 41 LYS H 1 41 LYS HG3 1.800 . 4.600 3.734 2.710 4.359 . 0 0 "[ . 1 . 2]" 1
341 1 41 LYS H 1 42 GLU H 1.800 . 3.800 2.809 2.767 2.898 . 0 0 "[ . 1 . 2]" 1
342 1 36 VAL MG1 1 42 GLU H 1.800 . 4.600 2.812 2.667 2.931 . 0 0 "[ . 1 . 2]" 1
343 1 37 ASP HB3 1 42 GLU H 1.800 . 3.800 2.998 2.778 3.407 . 0 0 "[ . 1 . 2]" 1
344 1 37 ASP HB2 1 42 GLU H 1.800 . 3.800 3.744 3.383 3.829 0.029 14 0 "[ . 1 . 2]" 1
345 1 40 THR HB 1 42 GLU H 1.800 . 4.600 4.075 3.898 4.185 . 0 0 "[ . 1 . 2]" 1
346 1 40 THR MG 1 42 GLU H 1.800 . 6.000 4.918 4.838 5.000 . 0 0 "[ . 1 . 2]" 1
347 1 41 LYS HA 1 42 GLU H 1.800 . 3.800 2.715 2.646 2.770 . 0 0 "[ . 1 . 2]" 1
348 1 41 LYS QD 1 42 GLU H 1.800 . 6.000 4.987 4.744 5.697 . 0 0 "[ . 1 . 2]" 1
349 1 41 LYS HG3 1 42 GLU H 1.800 . 6.000 5.462 4.806 6.024 0.024 13 0 "[ . 1 . 2]" 1
350 1 41 LYS HG2 1 42 GLU H 1.800 . 6.000 5.431 4.960 6.003 0.003 19 0 "[ . 1 . 2]" 1
351 1 42 GLU H 1 42 GLU HA 1.800 . 3.000 2.953 2.944 2.959 . 0 0 "[ . 1 . 2]" 1
352 1 42 GLU H 1 42 GLU QB 1.800 . 3.000 2.678 2.632 2.715 . 0 0 "[ . 1 . 2]" 1
353 1 42 GLU H 1 42 GLU HG3 1.800 . 6.000 3.612 3.124 4.473 . 0 0 "[ . 1 . 2]" 1
354 1 42 GLU H 1 42 GLU HG2 1.800 . 3.800 3.695 3.375 3.853 0.053 6 0 "[ . 1 . 2]" 1
355 1 42 GLU HA 1 43 VAL H 1.800 . 3.000 2.357 2.316 2.399 . 0 0 "[ . 1 . 2]" 1
356 1 42 GLU QB 1 43 VAL H 1.800 . 3.800 2.585 2.487 2.679 . 0 0 "[ . 1 . 2]" 1
357 1 42 GLU HG3 1 43 VAL H 1.800 . 6.000 5.031 4.836 5.142 . 0 0 "[ . 1 . 2]" 1
358 1 42 GLU H 1 43 VAL H 1.800 . 4.600 4.473 4.450 4.493 . 0 0 "[ . 1 . 2]" 1
359 1 43 VAL H 1 43 VAL HB 1.800 . 3.000 2.651 2.627 2.688 . 0 0 "[ . 1 . 2]" 1
360 1 43 VAL H 1 43 VAL QG 1.800 . 3.000 2.156 2.093 2.201 . 0 0 "[ . 1 . 2]" 1
361 1 43 VAL H 1 44 ILE H 1.800 . 6.000 4.563 4.498 4.611 . 0 0 "[ . 1 . 2]" 1
362 1 43 VAL HA 1 44 ILE H 1.800 . 3.800 2.195 2.180 2.210 . 0 0 "[ . 1 . 2]" 1
363 1 44 ILE H 1 44 ILE HB 1.800 . 3.000 2.679 2.648 2.753 . 0 0 "[ . 1 . 2]" 1
364 1 44 ILE H 1 44 ILE MD 1.800 . 3.800 3.353 2.146 3.619 . 0 0 "[ . 1 . 2]" 1
365 1 44 ILE H 1 44 ILE HG13 1.800 . 3.000 2.440 2.253 3.022 0.022 3 0 "[ . 1 . 2]" 1
366 1 44 ILE H 1 45 GLN H 1.800 . 3.000 2.478 2.372 2.564 . 0 0 "[ . 1 . 2]" 1
367 1 34 MET HA 1 45 GLN H 1.800 . 6.000 5.180 4.985 5.464 . 0 0 "[ . 1 . 2]" 1
368 1 35 ARG HA 1 45 GLN H 1.800 . 6.000 5.628 5.498 5.718 . 0 0 "[ . 1 . 2]" 1
369 1 36 VAL HA 1 45 GLN H 1.800 . 6.000 5.609 5.534 5.697 . 0 0 "[ . 1 . 2]" 1
370 1 43 VAL HA 1 45 GLN H 1.800 . 6.000 4.386 4.283 4.450 . 0 0 "[ . 1 . 2]" 1
371 1 44 ILE HA 1 45 GLN H 1.800 . 3.800 3.609 3.604 3.612 . 0 0 "[ . 1 . 2]" 1
372 1 44 ILE HB 1 45 GLN H 1.800 . 3.000 2.305 2.273 2.368 . 0 0 "[ . 1 . 2]" 1
373 1 44 ILE MD 1 45 GLN H 1.800 . 4.600 4.016 3.338 4.194 . 0 0 "[ . 1 . 2]" 1
374 1 44 ILE HG13 1 45 GLN H 1.800 . 6.000 4.136 3.996 4.565 . 0 0 "[ . 1 . 2]" 1
375 1 44 ILE HG12 1 45 GLN H 1.800 . 6.000 4.915 4.877 4.954 . 0 0 "[ . 1 . 2]" 1
376 1 45 GLN HB2 1 45 GLN HE21 1.800 . 4.600 3.897 3.008 4.422 . 0 0 "[ . 1 . 2]" 1
377 1 45 GLN HE22 1 45 GLN QG 1.800 . 3.800 3.307 3.245 3.361 . 0 0 "[ . 1 . 2]" 1
378 1 45 GLN H 1 45 GLN QG 1.800 . 4.600 4.237 4.209 4.258 . 0 0 "[ . 1 . 2]" 1
379 1 45 GLN H 1 46 GLU H 1.800 . 4.600 4.413 4.395 4.452 . 0 0 "[ . 1 . 2]" 1
380 1 34 MET HA 1 46 GLU H 1.800 . 6.000 5.017 4.950 5.155 . 0 0 "[ . 1 . 2]" 1
381 1 43 VAL QG 1 46 GLU H 1.800 . 4.600 4.307 4.242 4.375 . 0 0 "[ . 1 . 2]" 1
382 1 45 GLN HA 1 46 GLU H 1.800 . 3.000 2.325 2.300 2.341 . 0 0 "[ . 1 . 2]" 1
383 1 45 GLN HB3 1 46 GLU H 1.800 . 6.000 3.600 3.390 3.694 . 0 0 "[ . 1 . 2]" 1
384 1 45 GLN HB2 1 46 GLU H 1.800 . 4.600 4.173 4.139 4.204 . 0 0 "[ . 1 . 2]" 1
385 1 45 GLN HE21 1 46 GLU H 1.800 . 6.000 4.566 4.330 5.360 . 0 0 "[ . 1 . 2]" 1
386 1 45 GLN HE22 1 46 GLU H 1.800 . 6.000 5.902 5.496 5.991 . 0 0 "[ . 1 . 2]" 1
387 1 45 GLN QG 1 46 GLU H 1.800 . 3.000 2.336 2.284 2.421 . 0 0 "[ . 1 . 2]" 1
388 1 46 GLU H 1 46 GLU QB 1.800 . 3.800 3.074 2.607 3.161 . 0 0 "[ . 1 . 2]" 1
389 1 46 GLU H 1 46 GLU QG 1.800 . 4.600 2.524 2.305 4.170 . 0 0 "[ . 1 . 2]" 1
390 1 46 GLU H 1 47 TRP H 1.800 . 4.600 4.463 4.429 4.480 . 0 0 "[ . 1 . 2]" 1
391 1 32 SER HA 1 47 TRP H 1.800 . 6.000 5.412 5.246 5.552 . 0 0 "[ . 1 . 2]" 1
392 1 32 SER HB2 1 47 TRP H 1.800 . 6.000 4.895 3.779 6.004 0.004 5 0 "[ . 1 . 2]" 1
393 1 33 VAL HB 1 47 TRP H 1.800 . 3.800 3.471 3.257 3.785 . 0 0 "[ . 1 . 2]" 1
394 1 33 VAL MG1 1 47 TRP H 1.800 . 6.000 4.365 4.214 4.590 . 0 0 "[ . 1 . 2]" 1
395 1 34 MET HA 1 47 TRP H 1.800 . 4.600 3.544 3.439 3.655 . 0 0 "[ . 1 . 2]" 1
396 1 45 GLN HE21 1 47 TRP HE1 1.800 . 3.800 2.555 2.322 3.821 0.021 20 0 "[ . 1 . 2]" 1
397 1 45 GLN HE22 1 47 TRP HE1 1.800 . 3.800 3.165 2.206 3.401 . 0 0 "[ . 1 . 2]" 1
398 1 45 GLN QG 1 47 TRP HE1 1.800 . 4.600 4.109 3.723 4.616 0.016 20 0 "[ . 1 . 2]" 1
399 1 46 GLU HA 1 47 TRP H 1.800 . 3.000 2.306 2.237 2.329 . 0 0 "[ . 1 . 2]" 1
400 1 46 GLU QB 1 47 TRP H 1.800 . 4.600 2.691 2.564 3.569 . 0 0 "[ . 1 . 2]" 1
401 1 46 GLU QG 1 47 TRP H 1.800 . 3.800 3.678 2.298 3.832 0.032 9 0 "[ . 1 . 2]" 1
402 1 47 TRP QB 1 47 TRP HE1 1.800 . 4.600 4.462 4.444 4.484 . 0 0 "[ . 1 . 2]" 1
403 1 47 TRP H 1 47 TRP QB 1.800 . 3.800 2.709 2.647 2.770 . 0 0 "[ . 1 . 2]" 1
404 1 47 TRP H 1 47 TRP HE3 1.800 . 3.800 2.890 2.537 3.255 . 0 0 "[ . 1 . 2]" 1
405 1 47 TRP H 1 47 TRP HZ3 1.800 . 6.000 4.911 4.615 5.226 . 0 0 "[ . 1 . 2]" 1
406 1 47 TRP H 1 48 SER H 1.800 . 4.600 4.472 4.433 4.497 . 0 0 "[ . 1 . 2]" 1
407 1 47 TRP HE1 1 70 GLN HB3 1.800 . 6.000 5.094 3.650 5.760 . 0 0 "[ . 1 . 2]" 1
408 1 47 TRP HE1 1 70 GLN HB2 1.800 . 6.000 4.046 2.907 5.181 . 0 0 "[ . 1 . 2]" 1
409 1 47 TRP HE1 1 70 GLN QG 1.800 . 6.000 3.721 2.499 4.687 . 0 0 "[ . 1 . 2]" 1
410 1 32 SER HA 1 48 SER H 1.800 . 6.000 5.451 5.342 5.540 . 0 0 "[ . 1 . 2]" 1
411 1 32 SER HB2 1 48 SER H 1.800 . 6.000 5.758 4.846 6.712 0.712 11 8 "[* *. * 1+ *- **2]" 1
412 1 46 GLU QG 1 48 SER H 1.800 . 6.000 5.433 4.863 5.554 . 0 0 "[ . 1 . 2]" 1
413 1 47 TRP HA 1 48 SER H 1.800 . 3.800 2.334 2.275 2.354 . 0 0 "[ . 1 . 2]" 1
414 1 47 TRP QB 1 48 SER H 1.800 . 3.000 2.737 2.690 2.919 . 0 0 "[ . 1 . 2]" 1
415 1 47 TRP HD1 1 48 SER H 1.800 . 6.000 4.426 4.294 4.529 . 0 0 "[ . 1 . 2]" 1
416 1 48 SER H 1 48 SER HB3 1.800 . 3.800 3.461 2.605 3.671 . 0 0 "[ . 1 . 2]" 1
417 1 48 SER H 1 49 LEU H 1.800 . 6.000 4.642 4.628 4.657 . 0 0 "[ . 1 . 2]" 1
418 1 48 SER H 1 50 THR H 1.800 . 6.000 5.689 5.504 5.786 . 0 0 "[ . 1 . 2]" 1
419 1 48 SER H 1 51 ASN HD22 1.800 . 6.000 4.166 3.056 4.489 . 0 0 "[ . 1 . 2]" 1
420 1 48 SER H 1 51 ASN H 1.800 . 6.000 4.526 4.429 4.608 . 0 0 "[ . 1 . 2]" 1
421 1 48 SER H 1 66 PHE QE 1.800 . 6.000 4.787 4.629 5.008 . 0 0 "[ . 1 . 2]" 1
422 1 32 SER HA 1 49 LEU H 1.800 . 3.800 2.644 2.485 2.720 . 0 0 "[ . 1 . 2]" 1
423 1 32 SER HB3 1 49 LEU H 1.800 . 6.000 4.173 3.529 5.365 . 0 0 "[ . 1 . 2]" 1
424 1 32 SER HB2 1 49 LEU H 1.800 . 6.000 4.546 3.722 5.173 . 0 0 "[ . 1 . 2]" 1
425 1 48 SER HA 1 49 LEU H 1.800 . 3.000 2.296 2.289 2.309 . 0 0 "[ . 1 . 2]" 1
426 1 48 SER HB3 1 49 LEU H 1.800 . 6.000 2.949 2.739 3.780 . 0 0 "[ . 1 . 2]" 1
427 1 48 SER HB2 1 49 LEU H 1.800 . 6.000 3.869 3.782 4.075 . 0 0 "[ . 1 . 2]" 1
428 1 49 LEU H 1 49 LEU HB3 1.800 . 3.800 2.575 2.502 2.658 . 0 0 "[ . 1 . 2]" 1
429 1 49 LEU H 1 49 LEU HB2 1.800 . 3.800 2.474 2.411 2.529 . 0 0 "[ . 1 . 2]" 1
430 1 49 LEU H 1 49 LEU MD1 1.800 . 4.600 4.122 4.034 4.184 . 0 0 "[ . 1 . 2]" 1
431 1 49 LEU H 1 49 LEU MD2 1.800 . 6.000 4.297 4.269 4.324 . 0 0 "[ . 1 . 2]" 1
432 1 49 LEU H 1 50 THR H 1.800 . 3.800 2.674 2.654 2.695 . 0 0 "[ . 1 . 2]" 1
433 1 32 SER HA 1 50 THR H 1.800 . 6.000 5.285 5.132 5.384 . 0 0 "[ . 1 . 2]" 1
434 1 48 SER HB2 1 50 THR H 1.800 . 4.600 3.990 3.733 4.835 0.235 20 0 "[ . 1 . 2]" 1
435 1 49 LEU HA 1 50 THR H 1.800 . 6.000 3.569 3.547 3.582 . 0 0 "[ . 1 . 2]" 1
436 1 49 LEU HB3 1 50 THR H 1.800 . 4.600 2.743 2.662 2.890 . 0 0 "[ . 1 . 2]" 1
437 1 49 LEU HB2 1 50 THR H 1.800 . 4.600 3.938 3.885 4.009 . 0 0 "[ . 1 . 2]" 1
438 1 49 LEU HG 1 50 THR H 1.800 . 6.000 4.151 4.052 4.264 . 0 0 "[ . 1 . 2]" 1
439 1 50 THR H 1 50 THR HB 1.800 . 3.800 3.623 3.620 3.627 . 0 0 "[ . 1 . 2]" 1
440 1 50 THR H 1 50 THR MG 1.800 . 3.800 2.441 2.400 2.495 . 0 0 "[ . 1 . 2]" 1
441 1 50 THR H 1 51 ASN HB2 1.800 . 6.000 4.922 4.760 5.937 . 0 0 "[ . 1 . 2]" 1
442 1 50 THR H 1 51 ASN H 1.800 . 3.000 2.665 2.621 2.696 . 0 0 "[ . 1 . 2]" 1
443 1 50 THR H 1 52 ILE H 1.800 . 6.000 4.422 4.357 4.493 . 0 0 "[ . 1 . 2]" 1
444 1 50 THR H 2 29 LEU QD 1.800 . 4.600 4.501 4.462 4.533 . 0 0 "[ . 1 . 2]" 1
445 1 48 SER HB3 1 51 ASN HD21 1.800 . 6.000 3.833 2.457 4.269 . 0 0 "[ . 1 . 2]" 1
446 1 48 SER HB2 1 51 ASN HD21 1.800 . 6.000 2.664 2.344 4.042 . 0 0 "[ . 1 . 2]" 1
447 1 48 SER HB3 1 51 ASN HD22 1.800 . 6.000 4.119 2.945 5.844 . 0 0 "[ . 1 . 2]" 1
448 1 48 SER HB2 1 51 ASN HD22 1.800 . 6.000 3.225 2.916 5.347 . 0 0 "[ . 1 . 2]" 1
449 1 48 SER HB2 1 51 ASN H 1.800 . 6.000 3.152 2.709 4.499 . 0 0 "[ . 1 . 2]" 1
450 1 49 LEU HA 1 51 ASN H 1.800 . 6.000 4.097 4.016 4.166 . 0 0 "[ . 1 . 2]" 1
451 1 49 LEU MD2 1 51 ASN H 1.800 . 6.000 6.105 6.012 6.300 0.300 19 0 "[ . 1 . 2]" 1
452 1 49 LEU H 1 51 ASN H 1.800 . 6.000 4.106 4.061 4.184 . 0 0 "[ . 1 . 2]" 1
453 1 50 THR HA 1 51 ASN H 1.800 . 3.800 3.473 3.449 3.482 . 0 0 "[ . 1 . 2]" 1
454 1 50 THR HB 1 51 ASN H 1.800 . 4.600 4.105 4.073 4.160 . 0 0 "[ . 1 . 2]" 1
455 1 50 THR MG 1 51 ASN H 1.800 . 4.600 4.286 4.266 4.330 . 0 0 "[ . 1 . 2]" 1
456 1 51 ASN HA 1 51 ASN HD21 1.800 . 4.600 4.456 4.313 4.476 . 0 0 "[ . 1 . 2]" 1
457 1 51 ASN H 1 51 ASN HB3 1.800 . 3.800 3.486 2.253 3.625 . 0 0 "[ . 1 . 2]" 1
458 1 51 ASN H 1 51 ASN HB2 1.800 . 3.800 2.498 2.372 3.547 . 0 0 "[ . 1 . 2]" 1
459 1 51 ASN H 1 51 ASN HD21 1.800 . 4.600 4.004 2.812 4.170 . 0 0 "[ . 1 . 2]" 1
460 1 51 ASN H 1 51 ASN HD22 1.800 . 4.600 4.612 4.347 4.649 0.049 3 0 "[ . 1 . 2]" 1
461 1 51 ASN H 1 52 ILE H 1.800 . 3.000 2.628 2.527 2.687 . 0 0 "[ . 1 . 2]" 1
462 1 51 ASN H 1 66 PHE QD 1.800 . 6.000 5.435 5.141 5.738 . 0 0 "[ . 1 . 2]" 1
463 1 51 ASN H 1 66 PHE QE 1.800 . 6.000 6.002 5.920 6.033 0.033 12 0 "[ . 1 . 2]" 1
464 1 50 THR HA 1 52 ILE H 1.800 . 6.000 3.735 3.670 3.844 . 0 0 "[ . 1 . 2]" 1
465 1 51 ASN HA 1 52 ILE H 1.800 . 3.800 3.377 3.338 3.430 . 0 0 "[ . 1 . 2]" 1
466 1 51 ASN HB3 1 52 ILE H 1.800 . 4.600 4.209 3.951 4.277 . 0 0 "[ . 1 . 2]" 1
467 1 51 ASN HB2 1 52 ILE H 1.800 . 4.600 3.720 3.512 4.607 0.007 19 0 "[ . 1 . 2]" 1
468 1 52 ILE H 1 52 ILE MD 1.800 . 4.600 3.484 3.379 4.450 . 0 0 "[ . 1 . 2]" 1
469 1 52 ILE H 1 52 ILE MG 1.800 . 4.600 3.753 2.213 3.839 . 0 0 "[ . 1 . 2]" 1
470 1 52 ILE H 1 66 PHE QD 1.800 . 4.600 4.516 4.354 4.625 0.025 2 0 "[ . 1 . 2]" 1
471 1 52 ILE H 1 66 PHE QE 1.800 . 6.000 5.291 4.985 5.509 . 0 0 "[ . 1 . 2]" 1
472 1 51 ASN HA 1 53 LYS H 1.800 . 6.000 5.977 5.880 6.030 0.030 3 0 "[ . 1 . 2]" 1
473 1 52 ILE HA 1 53 LYS H 1.800 . 3.800 2.218 2.201 2.226 . 0 0 "[ . 1 . 2]" 1
474 1 52 ILE MG 1 53 LYS H 1.800 . 3.800 2.634 2.531 3.810 0.010 3 0 "[ . 1 . 2]" 1
475 1 52 ILE H 1 53 LYS H 1.800 . 6.000 4.607 4.580 4.625 . 0 0 "[ . 1 . 2]" 1
476 1 53 LYS H 1 53 LYS QB 1.800 . 3.800 2.365 2.322 2.391 . 0 0 "[ . 1 . 2]" 1
477 1 53 LYS H 1 54 ARG H 1.800 . 4.600 2.455 2.341 2.518 . 0 0 "[ . 1 . 2]" 1
478 1 53 LYS H 1 66 PHE HA 1.800 . 6.000 2.734 2.399 3.123 . 0 0 "[ . 1 . 2]" 1
479 1 52 ILE HA 1 54 ARG H 1.800 . 6.000 4.388 4.223 4.457 . 0 0 "[ . 1 . 2]" 1
480 1 53 LYS HA 1 54 ARG H 1.800 . 6.000 3.605 3.593 3.610 . 0 0 "[ . 1 . 2]" 1
481 1 53 LYS QB 1 54 ARG H 1.800 . 6.000 2.351 2.285 2.470 . 0 0 "[ . 1 . 2]" 1
482 1 53 LYS QD 1 54 ARG H 1.800 . 6.000 4.473 4.378 4.977 . 0 0 "[ . 1 . 2]" 1
483 1 54 ARG H 1 54 ARG QD 1.800 . 6.000 4.535 4.493 4.594 . 0 0 "[ . 1 . 2]" 1
484 1 54 ARG H 1 55 TRP HE3 1.800 . 6.000 4.060 3.879 4.468 . 0 0 "[ . 1 . 2]" 1
485 1 54 ARG H 1 55 TRP H 1.800 . 6.000 4.420 4.390 4.438 . 0 0 "[ . 1 . 2]" 1
486 1 54 ARG H 1 65 ASP HB2 1.800 . 6.000 4.558 4.190 4.920 . 0 0 "[ . 1 . 2]" 1
487 1 54 ARG H 1 65 ASP H 1.800 . 6.000 3.571 3.268 3.813 . 0 0 "[ . 1 . 2]" 1
488 1 54 ARG H 1 66 PHE HA 1.800 . 6.000 4.502 4.302 4.784 . 0 0 "[ . 1 . 2]" 1
489 1 54 ARG H 1 67 GLY H 1.800 . 6.000 5.798 5.501 6.026 0.026 2 0 "[ . 1 . 2]" 1
490 1 54 ARG H 2 26 PTR HA 1.800 . 6.000 5.479 5.183 5.734 . 0 0 "[ . 1 . 2]" 1
491 1 54 ARG HA 1 55 TRP H 1.800 . 3.800 2.381 2.346 2.438 . 0 0 "[ . 1 . 2]" 1
492 1 54 ARG QB 1 55 TRP H 1.800 . 4.600 2.548 2.430 2.637 . 0 0 "[ . 1 . 2]" 1
493 1 54 ARG QG 1 55 TRP H 1.800 . 6.000 3.894 3.733 4.058 . 0 0 "[ . 1 . 2]" 1
494 1 55 TRP H 1 55 TRP HE3 1.800 . 4.600 3.264 2.844 3.625 . 0 0 "[ . 1 . 2]" 1
495 1 55 TRP H 1 65 ASP H 1.800 . 6.000 5.145 4.908 5.418 . 0 0 "[ . 1 . 2]" 1
496 1 55 TRP HE1 1 85 ALA HA 1.800 . 3.800 3.622 3.342 3.811 0.011 13 0 "[ . 1 . 2]" 1
497 1 55 TRP HE1 1 85 ALA MB 1.800 . 3.000 2.932 2.696 3.023 0.023 3 0 "[ . 1 . 2]" 1
498 1 55 TRP H 2 24 TRP HA 1.800 . 4.600 4.486 4.338 4.608 0.008 13 0 "[ . 1 . 2]" 1
499 1 55 TRP H 2 24 TRP HZ3 1.800 . 6.000 3.983 3.796 4.175 . 0 0 "[ . 1 . 2]" 1
500 1 55 TRP HE1 2 25 VAL HB 1.800 . 3.800 3.535 3.337 3.680 . 0 0 "[ . 1 . 2]" 1
501 1 55 TRP HE1 2 25 VAL MG1 1.800 . 3.800 3.553 3.343 3.727 . 0 0 "[ . 1 . 2]" 1
502 1 55 TRP HE1 2 25 VAL MG2 1.800 . 3.800 3.720 3.449 3.813 0.013 6 0 "[ . 1 . 2]" 1
503 1 55 TRP H 2 25 VAL HA 1.800 . 6.000 4.963 4.894 5.127 . 0 0 "[ . 1 . 2]" 1
504 1 55 TRP H 2 25 VAL HB 1.800 . 4.600 3.464 3.215 3.851 . 0 0 "[ . 1 . 2]" 1
505 1 55 TRP H 2 25 VAL MG2 1.800 . 6.000 4.517 4.334 4.821 . 0 0 "[ . 1 . 2]" 1
506 1 55 TRP H 2 25 VAL H 1.800 . 3.000 2.832 2.712 2.983 . 0 0 "[ . 1 . 2]" 1
507 1 55 TRP H 2 26 PTR HA 1.800 . 4.600 4.244 4.009 4.334 . 0 0 "[ . 1 . 2]" 1
508 1 55 TRP HA 1 56 ALA H 1.800 . 3.000 2.255 2.214 2.308 . 0 0 "[ . 1 . 2]" 1
509 1 55 TRP HB3 1 56 ALA H 1.800 . 4.600 3.993 3.927 4.097 . 0 0 "[ . 1 . 2]" 1
510 1 55 TRP HD1 1 56 ALA H 1.800 . 4.600 4.156 3.876 4.350 . 0 0 "[ . 1 . 2]" 1
511 1 55 TRP H 1 56 ALA H 1.800 . 4.600 4.387 4.363 4.414 . 0 0 "[ . 1 . 2]" 1
512 1 56 ALA H 1 56 ALA MB 1.800 . 3.800 2.481 2.471 2.507 . 0 0 "[ . 1 . 2]" 1
513 1 56 ALA H 1 57 ALA H 1.800 . 4.600 4.402 4.375 4.477 . 0 0 "[ . 1 . 2]" 1
514 1 56 ALA H 1 62 PHE HA 1.800 . 6.000 5.370 5.257 5.546 . 0 0 "[ . 1 . 2]" 1
515 1 56 ALA H 1 63 THR H 1.800 . 3.800 3.413 3.263 3.617 . 0 0 "[ . 1 . 2]" 1
516 1 56 ALA H 1 64 LEU HA 1.800 . 6.000 3.507 2.906 3.896 . 0 0 "[ . 1 . 2]" 1
517 1 56 ALA H 2 24 TRP HE3 1.800 . 4.600 3.947 3.702 4.127 . 0 0 "[ . 1 . 2]" 1
518 1 56 ALA H 2 24 TRP HH2 1.800 . 6.000 4.560 4.468 4.773 . 0 0 "[ . 1 . 2]" 1
519 1 56 ALA H 2 24 TRP HZ3 1.800 . 4.600 3.370 3.134 3.538 . 0 0 "[ . 1 . 2]" 1
520 1 56 ALA H 2 25 VAL HB 1.800 . 6.000 5.985 5.831 6.023 0.023 19 0 "[ . 1 . 2]" 1
521 1 55 TRP HD1 1 57 ALA H 1.800 . 6.000 4.325 4.111 4.686 . 0 0 "[ . 1 . 2]" 1
522 1 56 ALA HA 1 57 ALA H 1.800 . 3.000 2.211 2.193 2.284 . 0 0 "[ . 1 . 2]" 1
523 1 56 ALA MB 1 57 ALA H 1.800 . 3.800 3.054 2.791 3.119 . 0 0 "[ . 1 . 2]" 1
524 1 57 ALA H 1 57 ALA MB 1.800 . 3.800 2.438 2.395 2.554 . 0 0 "[ . 1 . 2]" 1
525 1 57 ALA H 1 58 SER H 1.800 . 6.000 4.319 4.216 4.360 . 0 0 "[ . 1 . 2]" 1
526 1 57 ALA H 1 85 ALA MB 1.800 . 6.000 4.704 4.503 5.069 . 0 0 "[ . 1 . 2]" 1
527 1 57 ALA H 2 22 ALA MB 1.800 . 3.800 3.782 3.326 3.853 0.053 7 0 "[ . 1 . 2]" 1
528 1 57 ALA H 2 23 LYS H 1.800 . 4.600 4.442 4.063 4.612 0.012 11 0 "[ . 1 . 2]" 1
529 1 57 ALA H 2 24 TRP HA 1.800 . 6.000 4.807 4.624 4.999 . 0 0 "[ . 1 . 2]" 1
530 1 57 ALA H 2 25 VAL MG2 1.800 . 4.600 3.945 3.670 4.330 . 0 0 "[ . 1 . 2]" 1
531 1 57 ALA HA 1 58 SER H 1.800 . 3.000 2.158 2.150 2.167 . 0 0 "[ . 1 . 2]" 1
532 1 57 ALA MB 1 58 SER H 1.800 . 3.800 3.281 3.274 3.287 . 0 0 "[ . 1 . 2]" 1
533 1 58 SER H 1 60 LYS H 1.800 . 6.000 4.951 4.858 5.066 . 0 0 "[ . 1 . 2]" 1
534 1 58 SER H 1 61 SER H 1.800 . 3.800 3.831 3.809 3.852 0.052 17 0 "[ . 1 . 2]" 1
535 1 58 SER H 1 62 PHE HB2 1.800 . 6.000 4.578 4.433 4.699 . 0 0 "[ . 1 . 2]" 1
536 1 58 SER H 1 62 PHE QD 1.800 . 4.600 4.138 3.813 4.302 . 0 0 "[ . 1 . 2]" 1
537 1 58 SER H 1 63 THR H 1.800 . 4.600 4.312 4.150 4.463 . 0 0 "[ . 1 . 2]" 1
538 1 58 SER H 1 81 GLY HA3 1.800 . 6.000 4.560 4.386 4.753 . 0 0 "[ . 1 . 2]" 1
539 1 58 SER H 2 22 ALA MB 1.800 . 6.000 4.090 3.738 4.423 . 0 0 "[ . 1 . 2]" 1
540 1 58 SER HA 1 60 LYS H 1.800 . 4.600 4.489 4.354 4.606 0.006 18 0 "[ . 1 . 2]" 1
541 1 58 SER QB 1 60 LYS H 1.800 . 4.600 2.831 2.562 3.660 . 0 0 "[ . 1 . 2]" 1
542 1 59 PRO HA 1 60 LYS H 1.800 . 3.800 3.582 3.551 3.601 . 0 0 "[ . 1 . 2]" 1
543 1 59 PRO HD3 1 60 LYS H 1.800 . 6.000 4.175 4.137 4.270 . 0 0 "[ . 1 . 2]" 1
544 1 59 PRO HD2 1 60 LYS H 1.800 . 6.000 3.005 2.916 3.318 . 0 0 "[ . 1 . 2]" 1
545 1 60 LYS H 1 60 LYS QB 1.800 . 3.800 2.570 2.510 3.002 . 0 0 "[ . 1 . 2]" 1
546 1 60 LYS H 1 60 LYS QD 1.800 . 4.600 4.311 4.027 4.412 . 0 0 "[ . 1 . 2]" 1
547 1 60 LYS H 1 60 LYS QG 1.800 . 3.800 2.935 2.191 3.045 . 0 0 "[ . 1 . 2]" 1
548 1 57 ALA HA 1 61 SER H 1.800 . 6.000 5.849 5.790 5.882 . 0 0 "[ . 1 . 2]" 1
549 1 58 SER HA 1 61 SER H 1.800 . 4.600 4.629 4.608 4.655 0.055 6 0 "[ . 1 . 2]" 1
550 1 60 LYS QB 1 61 SER H 1.800 . 4.600 3.306 3.221 3.908 . 0 0 "[ . 1 . 2]" 1
551 1 60 LYS QG 1 61 SER H 1.800 . 6.000 4.370 2.951 4.553 . 0 0 "[ . 1 . 2]" 1
552 1 61 SER HA 1 62 PHE H 1.800 . 3.800 2.178 2.169 2.188 . 0 0 "[ . 1 . 2]" 1
553 1 61 SER QB 1 62 PHE H 1.800 . 3.800 3.284 2.981 3.678 . 0 0 "[ . 1 . 2]" 1
554 1 62 PHE H 1 62 PHE QD 1.800 . 4.600 4.330 4.320 4.338 . 0 0 "[ . 1 . 2]" 1
555 1 62 PHE H 1 76 VAL H 1.800 . 3.800 3.510 3.348 3.685 . 0 0 "[ . 1 . 2]" 1
556 1 62 PHE H 1 77 GLN HA 1.800 . 4.600 3.472 3.195 3.678 . 0 0 "[ . 1 . 2]" 1
557 1 62 PHE H 1 78 THR MG 1.800 . 4.600 2.544 2.471 2.720 . 0 0 "[ . 1 . 2]" 1
558 1 62 PHE H 1 78 THR H 1.800 . 4.600 3.063 2.920 3.207 . 0 0 "[ . 1 . 2]" 1
559 1 62 PHE H 1 81 GLY HA3 1.800 . 6.000 6.107 5.839 6.394 0.394 13 0 "[ . 1 . 2]" 1
560 1 62 PHE H 2 15 PHE QD 1.800 . 6.000 5.836 5.402 6.029 0.029 11 0 "[ . 1 . 2]" 1
561 1 56 ALA MB 1 63 THR H 1.800 . 4.600 3.562 3.169 3.776 . 0 0 "[ . 1 . 2]" 1
562 1 57 ALA HA 1 63 THR H 1.800 . 6.000 3.498 3.307 3.649 . 0 0 "[ . 1 . 2]" 1
563 1 62 PHE HA 1 63 THR H 1.800 . 3.000 2.241 2.203 2.267 . 0 0 "[ . 1 . 2]" 1
564 1 62 PHE HB3 1 63 THR H 1.800 . 4.600 3.980 3.871 4.098 . 0 0 "[ . 1 . 2]" 1
565 1 62 PHE HB2 1 63 THR H 1.800 . 4.600 4.258 4.218 4.376 . 0 0 "[ . 1 . 2]" 1
566 1 62 PHE QD 1 63 THR H 1.800 . 3.800 3.375 3.176 3.625 . 0 0 "[ . 1 . 2]" 1
567 1 63 THR H 1 63 THR HB 1.800 . 3.800 2.816 2.752 2.897 . 0 0 "[ . 1 . 2]" 1
568 1 63 THR H 1 63 THR MG 1.800 . 4.600 3.956 3.939 3.967 . 0 0 "[ . 1 . 2]" 1
569 1 63 THR HA 1 64 LEU H 1.800 . 3.000 2.256 2.207 2.281 . 0 0 "[ . 1 . 2]" 1
570 1 64 LEU H 1 64 LEU QB 1.800 . 3.800 2.863 2.420 3.299 . 0 0 "[ . 1 . 2]" 1
571 1 64 LEU H 1 64 LEU MD2 1.800 . 4.600 3.435 2.194 4.553 . 0 0 "[ . 1 . 2]" 1
572 1 64 LEU H 1 74 TYR H 1.800 . 4.600 3.934 3.616 4.259 . 0 0 "[ . 1 . 2]" 1
573 1 64 LEU H 1 75 SER HA 1.800 . 3.800 3.777 3.452 3.843 0.043 13 0 "[ . 1 . 2]" 1
574 1 54 ARG QG 1 65 ASP H 1.800 . 4.600 3.832 3.369 4.255 . 0 0 "[ . 1 . 2]" 1
575 1 55 TRP HA 1 65 ASP H 1.800 . 4.600 3.335 3.086 3.636 . 0 0 "[ . 1 . 2]" 1
576 1 55 TRP HE3 1 65 ASP H 1.800 . 6.000 5.058 4.711 5.575 . 0 0 "[ . 1 . 2]" 1
577 1 56 ALA H 1 65 ASP H 1.800 . 6.000 5.129 4.900 5.338 . 0 0 "[ . 1 . 2]" 1
578 1 64 LEU HA 1 65 ASP H 1.800 . 3.000 2.261 2.230 2.423 . 0 0 "[ . 1 . 2]" 1
579 1 64 LEU QB 1 65 ASP H 1.800 . 6.000 2.969 2.291 3.368 . 0 0 "[ . 1 . 2]" 1
580 1 64 LEU MD1 1 65 ASP H 1.800 . 4.600 4.508 4.293 4.686 0.086 2 0 "[ . 1 . 2]" 1
581 1 65 ASP H 1 65 ASP HB2 1.800 . 3.800 3.005 2.932 3.099 . 0 0 "[ . 1 . 2]" 1
582 1 65 ASP H 2 24 TRP HE3 1.800 . 6.000 5.313 4.809 5.792 . 0 0 "[ . 1 . 2]" 1
583 1 65 ASP H 2 24 TRP HH2 1.800 . 6.000 4.414 3.658 4.947 . 0 0 "[ . 1 . 2]" 1
584 1 65 ASP H 2 24 TRP HZ3 1.800 . 4.600 3.240 2.684 3.727 . 0 0 "[ . 1 . 2]" 1
585 1 65 ASP HA 1 66 PHE H 1.800 . 3.800 2.209 2.172 2.256 . 0 0 "[ . 1 . 2]" 1
586 1 65 ASP HB3 1 66 PHE H 1.800 . 6.000 4.063 3.902 4.221 . 0 0 "[ . 1 . 2]" 1
587 1 66 PHE H 1 66 PHE QD 1.800 . 3.800 2.808 2.691 2.943 . 0 0 "[ . 1 . 2]" 1
588 1 66 PHE H 1 73 TYR HA 1.800 . 6.000 4.933 4.532 5.271 . 0 0 "[ . 1 . 2]" 1
589 1 66 PHE H 1 73 TYR QD 1.800 . 4.600 4.619 4.561 4.642 0.042 16 0 "[ . 1 . 2]" 1
590 1 53 LYS QB 1 67 GLY H 1.800 . 3.800 3.601 2.942 3.847 0.047 8 0 "[ . 1 . 2]" 1
591 1 66 PHE HA 1 67 GLY H 1.800 . 3.800 2.883 2.296 3.564 . 0 0 "[ . 1 . 2]" 1
592 1 66 PHE HB3 1 67 GLY H 1.800 . 6.000 3.235 2.538 3.926 . 0 0 "[ . 1 . 2]" 1
593 1 66 PHE HB2 1 67 GLY H 1.800 . 4.600 3.429 2.849 3.926 . 0 0 "[ . 1 . 2]" 1
594 1 66 PHE QD 1 67 GLY H 1.800 . 6.000 4.042 3.684 4.393 . 0 0 "[ . 1 . 2]" 1
595 1 67 GLY H 1 67 GLY HA2 1.800 . 3.000 2.655 2.355 2.933 . 0 0 "[ . 1 . 2]" 1
596 1 67 GLY H 1 68 ASP H 1.800 . 4.600 3.701 3.107 4.176 . 0 0 "[ . 1 . 2]" 1
597 1 67 GLY H 1 69 TYR H 1.800 . 4.600 4.532 4.305 4.628 0.028 9 0 "[ . 1 . 2]" 1
598 1 67 GLY HA3 1 68 ASP H 1.800 . 3.800 2.344 2.215 3.472 . 0 0 "[ . 1 . 2]" 1
599 1 68 ASP H 1 68 ASP HB3 1.800 . 3.800 3.288 2.710 3.772 . 0 0 "[ . 1 . 2]" 1
600 1 68 ASP H 1 68 ASP HB2 1.800 . 3.000 2.682 2.463 3.049 0.049 15 0 "[ . 1 . 2]" 1
601 1 68 ASP H 1 69 TYR QB 1.800 . 4.600 3.903 3.728 4.445 . 0 0 "[ . 1 . 2]" 1
602 1 68 ASP H 1 69 TYR QD 1.800 . 6.000 5.574 5.238 6.036 0.036 15 0 "[ . 1 . 2]" 1
603 1 66 PHE HB3 1 69 TYR H 1.800 . 4.600 4.134 3.671 4.549 . 0 0 "[ . 1 . 2]" 1
604 1 67 GLY HA3 1 69 TYR H 1.800 . 6.000 4.904 4.769 5.150 . 0 0 "[ . 1 . 2]" 1
605 1 67 GLY HA2 1 69 TYR H 1.800 . 6.000 4.975 4.442 5.292 . 0 0 "[ . 1 . 2]" 1
606 1 68 ASP HA 1 69 TYR H 1.800 . 3.000 2.455 2.380 2.666 . 0 0 "[ . 1 . 2]" 1
607 1 68 ASP HB3 1 69 TYR H 1.800 . 4.600 4.378 4.263 4.471 . 0 0 "[ . 1 . 2]" 1
608 1 68 ASP HB2 1 69 TYR H 1.800 . 6.000 4.606 4.536 4.690 . 0 0 "[ . 1 . 2]" 1
609 1 68 ASP H 1 69 TYR H 1.800 . 3.800 3.505 2.825 3.645 . 0 0 "[ . 1 . 2]" 1
610 1 69 TYR H 1 69 TYR HA 1.800 . 3.000 2.914 2.901 2.953 . 0 0 "[ . 1 . 2]" 1
611 1 69 TYR H 1 69 TYR QB 1.800 . 3.000 2.797 2.645 2.843 . 0 0 "[ . 1 . 2]" 1
612 1 69 TYR H 1 69 TYR QD 1.800 . 4.600 4.560 4.415 4.588 . 0 0 "[ . 1 . 2]" 1
613 1 69 TYR H 1 70 GLN H 1.800 . 3.800 2.233 2.181 2.269 . 0 0 "[ . 1 . 2]" 1
614 1 66 PHE HB3 1 70 GLN H 1.800 . 6.000 3.493 2.974 4.297 . 0 0 "[ . 1 . 2]" 1
615 1 66 PHE HB2 1 70 GLN H 1.800 . 4.600 2.806 2.308 3.298 . 0 0 "[ . 1 . 2]" 1
616 1 68 ASP HA 1 70 GLN H 1.800 . 6.000 4.613 4.508 4.708 . 0 0 "[ . 1 . 2]" 1
617 1 69 TYR HA 1 70 GLN H 1.800 . 3.800 3.604 3.601 3.610 . 0 0 "[ . 1 . 2]" 1
618 1 69 TYR QB 1 70 GLN H 1.800 . 3.800 2.322 2.263 2.401 . 0 0 "[ . 1 . 2]" 1
619 1 69 TYR QD 1 70 GLN H 1.800 . 4.600 3.726 3.564 4.191 . 0 0 "[ . 1 . 2]" 1
620 1 70 GLN H 1 70 GLN HB3 1.800 . 3.000 3.000 2.694 3.729 0.729 18 5 "[ * . * 1- * . + 2]" 1
621 1 70 GLN H 1 71 ASP H 1.800 . 4.600 4.559 4.491 4.582 . 0 0 "[ . 1 . 2]" 1
622 1 70 GLN HA 1 71 ASP H 1.800 . 3.000 2.310 2.270 2.404 . 0 0 "[ . 1 . 2]" 1
623 1 70 GLN HB3 1 71 ASP H 1.800 . 6.000 3.473 2.554 3.823 . 0 0 "[ . 1 . 2]" 1
624 1 70 GLN HB2 1 71 ASP H 1.800 . 4.600 4.022 2.508 4.213 . 0 0 "[ . 1 . 2]" 1
625 1 70 GLN QG 1 71 ASP H 1.800 . 4.600 2.825 2.241 4.361 . 0 0 "[ . 1 . 2]" 1
626 1 71 ASP H 1 71 ASP HB3 1.800 . 3.000 2.729 2.721 2.745 . 0 0 "[ . 1 . 2]" 1
627 1 71 ASP H 1 71 ASP HB2 1.800 . 3.000 2.503 2.432 2.573 . 0 0 "[ . 1 . 2]" 1
628 1 71 ASP H 1 72 GLY H 1.800 . 3.800 2.540 2.428 2.673 . 0 0 "[ . 1 . 2]" 1
629 1 70 GLN HA 1 72 GLY H 1.800 . 4.600 4.501 4.371 4.606 0.006 13 0 "[ . 1 . 2]" 1
630 1 70 GLN HB3 1 72 GLY H 1.800 . 6.000 4.097 3.185 4.945 . 0 0 "[ . 1 . 2]" 1
631 1 70 GLN HB2 1 72 GLY H 1.800 . 6.000 5.050 3.204 5.430 . 0 0 "[ . 1 . 2]" 1
632 1 70 GLN QG 1 72 GLY H 1.800 . 6.000 3.229 2.390 5.372 . 0 0 "[ . 1 . 2]" 1
633 1 71 ASP HA 1 72 GLY H 1.800 . 3.800 3.602 3.594 3.606 . 0 0 "[ . 1 . 2]" 1
634 1 71 ASP HB3 1 72 GLY H 1.800 . 3.800 2.474 2.418 2.590 . 0 0 "[ . 1 . 2]" 1
635 1 71 ASP HB2 1 72 GLY H 1.800 . 3.800 3.686 3.660 3.746 . 0 0 "[ . 1 . 2]" 1
636 1 72 GLY H 1 72 GLY HA3 1.800 . 3.000 2.340 2.315 2.358 . 0 0 "[ . 1 . 2]" 1
637 1 72 GLY H 1 72 GLY HA2 1.800 . 3.000 2.922 2.889 2.938 . 0 0 "[ . 1 . 2]" 1
638 1 72 GLY HA3 1 73 TYR H 1.800 . 3.000 2.386 2.254 2.776 . 0 0 "[ . 1 . 2]" 1
639 1 72 GLY HA2 1 73 TYR H 1.800 . 3.000 2.825 2.412 3.003 0.003 7 0 "[ . 1 . 2]" 1
640 1 73 TYR H 1 73 TYR HB3 1.800 . 3.800 3.786 3.669 3.824 0.024 8 0 "[ . 1 . 2]" 1
641 1 73 TYR H 1 73 TYR HB2 1.800 . 3.800 2.661 2.491 2.737 . 0 0 "[ . 1 . 2]" 1
642 1 73 TYR H 1 73 TYR QD 1.800 . 3.800 3.076 2.748 3.319 . 0 0 "[ . 1 . 2]" 1
643 1 73 TYR H 1 73 TYR QE 1.800 . 6.000 4.936 4.604 5.155 . 0 0 "[ . 1 . 2]" 1
644 1 73 TYR H 1 74 TYR H 1.800 . 6.000 4.511 4.452 4.600 . 0 0 "[ . 1 . 2]" 1
645 1 63 THR HA 1 74 TYR H 1.800 . 6.000 5.549 5.297 5.964 . 0 0 "[ . 1 . 2]" 1
646 1 64 LEU QB 1 74 TYR H 1.800 . 6.000 4.750 3.683 5.790 . 0 0 "[ . 1 . 2]" 1
647 1 66 PHE QD 1 74 TYR H 1.800 . 6.000 4.586 4.268 4.995 . 0 0 "[ . 1 . 2]" 1
648 1 66 PHE QE 1 74 TYR H 1.800 . 4.600 4.295 3.986 4.563 . 0 0 "[ . 1 . 2]" 1
649 1 66 PHE H 1 74 TYR H 1.800 . 6.000 5.326 5.037 5.664 . 0 0 "[ . 1 . 2]" 1
650 1 73 TYR HB2 1 74 TYR H 1.800 . 3.800 3.903 3.812 4.078 0.278 6 0 "[ . 1 . 2]" 1
651 1 73 TYR QD 1 74 TYR H 1.800 . 6.000 3.934 3.822 4.091 . 0 0 "[ . 1 . 2]" 1
652 1 74 TYR H 1 74 TYR HA 1.800 . 3.000 2.954 2.939 2.962 . 0 0 "[ . 1 . 2]" 1
653 1 74 TYR H 1 74 TYR HB3 1.800 . 3.000 2.641 2.527 2.735 . 0 0 "[ . 1 . 2]" 1
654 1 63 THR MG 1 75 SER H 1.800 . 6.000 4.975 4.472 5.380 . 0 0 "[ . 1 . 2]" 1
655 1 74 TYR HA 1 75 SER H 1.800 . 3.000 2.168 2.154 2.179 . 0 0 "[ . 1 . 2]" 1
656 1 74 TYR HB3 1 75 SER H 1.800 . 4.600 4.319 4.279 4.388 . 0 0 "[ . 1 . 2]" 1
657 1 74 TYR HB2 1 75 SER H 1.800 . 4.600 4.459 4.371 4.487 . 0 0 "[ . 1 . 2]" 1
658 1 74 TYR QD 1 75 SER H 1.800 . 3.800 3.589 3.023 3.826 0.026 1 0 "[ . 1 . 2]" 1
659 1 74 TYR QE 1 75 SER H 1.800 . 6.000 4.870 4.542 5.004 . 0 0 "[ . 1 . 2]" 1
660 1 74 TYR H 1 75 SER H 1.800 . 4.600 4.339 4.281 4.390 . 0 0 "[ . 1 . 2]" 1
661 1 75 SER H 1 75 SER HB2 1.800 . 3.800 3.162 2.696 3.829 0.029 1 0 "[ . 1 . 2]" 1
662 1 75 SER H 1 76 VAL QG 1.800 . 6.000 4.012 3.594 4.904 . 0 0 "[ . 1 . 2]" 1
663 1 75 SER H 1 76 VAL H 1.800 . 6.000 4.394 4.360 4.427 . 0 0 "[ . 1 . 2]" 1
664 1 63 THR HA 1 76 VAL H 1.800 . 6.000 3.859 3.631 3.997 . 0 0 "[ . 1 . 2]" 1
665 1 75 SER HA 1 76 VAL H 1.800 . 3.000 2.226 2.205 2.253 . 0 0 "[ . 1 . 2]" 1
666 1 75 SER HB3 1 76 VAL H 1.800 . 4.600 3.616 3.034 4.192 . 0 0 "[ . 1 . 2]" 1
667 1 75 SER HB2 1 76 VAL H 1.800 . 6.000 3.800 3.026 4.289 . 0 0 "[ . 1 . 2]" 1
668 1 76 VAL H 1 76 VAL QG 1.800 . 3.000 2.377 2.326 2.445 . 0 0 "[ . 1 . 2]" 1
669 1 12 LYS QB 1 77 GLN HE22 1.800 . 6.000 4.949 4.244 5.616 . 0 0 "[ . 1 . 2]" 1
670 1 12 LYS QD 1 77 GLN HE22 1.800 . 6.000 4.502 3.620 6.008 0.008 4 0 "[ . 1 . 2]" 1
671 1 12 LYS QB 1 77 GLN H 1.800 . 4.600 3.405 2.986 4.073 . 0 0 "[ . 1 . 2]" 1
672 1 12 LYS H 1 77 GLN H 1.800 . 3.800 2.979 2.708 3.496 . 0 0 "[ . 1 . 2]" 1
673 1 21 LEU MD1 1 77 GLN HE21 1.800 . 3.800 2.777 2.190 3.153 . 0 0 "[ . 1 . 2]" 1
674 1 21 LEU MD1 1 77 GLN HE22 1.800 . 6.000 2.491 2.189 2.954 . 0 0 "[ . 1 . 2]" 1
675 1 21 LEU MD1 1 77 GLN H 1.800 . 6.000 4.815 4.400 5.306 . 0 0 "[ . 1 . 2]" 1
676 1 76 VAL HA 1 77 GLN H 1.800 . 3.800 2.334 2.298 2.369 . 0 0 "[ . 1 . 2]" 1
677 1 76 VAL HB 1 77 GLN H 1.800 . 4.600 3.071 2.572 4.093 . 0 0 "[ . 1 . 2]" 1
678 1 76 VAL QG 1 77 GLN H 1.800 . 3.800 2.946 2.143 3.308 . 0 0 "[ . 1 . 2]" 1
679 1 77 GLN HB3 1 77 GLN HE21 1.800 . 3.800 3.723 2.483 3.812 0.012 13 0 "[ . 1 . 2]" 1
680 1 77 GLN HB2 1 77 GLN HE21 1.800 . 3.800 2.835 2.730 3.165 . 0 0 "[ . 1 . 2]" 1
681 1 77 GLN H 1 78 THR H 1.800 . 6.000 4.419 4.364 4.496 . 0 0 "[ . 1 . 2]" 1
682 1 77 GLN HE21 2 15 PHE QD 1.800 . 4.600 2.915 2.302 4.677 0.077 6 0 "[ . 1 . 2]" 1
683 1 77 GLN H 2 15 PHE QD 1.800 . 4.600 4.306 3.977 4.612 0.012 12 0 "[ . 1 . 2]" 1
684 1 61 SER HA 1 78 THR H 1.800 . 3.800 2.162 2.081 2.243 . 0 0 "[ . 1 . 2]" 1
685 1 61 SER QB 1 78 THR H 1.800 . 4.600 4.053 3.733 4.303 . 0 0 "[ . 1 . 2]" 1
686 1 77 GLN HA 1 78 THR H 1.800 . 3.000 2.180 2.171 2.185 . 0 0 "[ . 1 . 2]" 1
687 1 77 GLN HB3 1 78 THR H 1.800 . 4.600 4.266 4.201 4.308 . 0 0 "[ . 1 . 2]" 1
688 1 77 GLN HB2 1 78 THR H 1.800 . 6.000 4.516 4.447 4.564 . 0 0 "[ . 1 . 2]" 1
689 1 77 GLN QG 1 78 THR H 1.800 . 4.600 3.182 2.948 3.295 . 0 0 "[ . 1 . 2]" 1
690 1 78 THR H 1 78 THR MG 1.800 . 4.600 2.172 2.139 2.218 . 0 0 "[ . 1 . 2]" 1
691 1 78 THR H 2 15 PHE QD 1.800 . 6.000 5.460 5.067 5.727 . 0 0 "[ . 1 . 2]" 1
692 1 78 THR HA 1 79 THR H 1.800 . 3.800 2.235 2.217 2.251 . 0 0 "[ . 1 . 2]" 1
693 1 78 THR HB 1 79 THR H 1.800 . 6.000 4.023 3.995 4.053 . 0 0 "[ . 1 . 2]" 1
694 1 78 THR MG 1 79 THR H 1.800 . 6.000 3.801 3.735 3.846 . 0 0 "[ . 1 . 2]" 1
695 1 79 THR H 1 79 THR MG 1.800 . 4.600 3.086 2.096 3.833 . 0 0 "[ . 1 . 2]" 1
696 1 79 THR H 1 80 GLU HB3 1.800 . 6.000 5.959 5.310 6.057 0.057 6 0 "[ . 1 . 2]" 1
697 1 79 THR H 1 80 GLU HB2 1.800 . 6.000 4.823 4.629 6.057 0.057 3 0 "[ . 1 . 2]" 1
698 1 79 THR H 1 80 GLU QG 1.800 . 4.600 4.340 3.661 4.470 . 0 0 "[ . 1 . 2]" 1
699 1 78 THR HB 1 80 GLU H 1.800 . 4.600 4.625 4.600 4.648 0.048 4 0 "[ . 1 . 2]" 1
700 1 78 THR MG 1 80 GLU H 1.800 . 6.000 3.606 3.372 3.804 . 0 0 "[ . 1 . 2]" 1
701 1 79 THR HA 1 80 GLU H 1.800 . 6.000 3.537 3.529 3.545 . 0 0 "[ . 1 . 2]" 1
702 1 79 THR MG 1 80 GLU H 1.800 . 6.000 3.977 2.440 4.133 . 0 0 "[ . 1 . 2]" 1
703 1 79 THR H 1 80 GLU H 1.800 . 3.800 2.302 2.238 2.362 . 0 0 "[ . 1 . 2]" 1
704 1 80 GLU H 1 80 GLU HA 1.800 . 3.000 2.958 2.941 2.962 . 0 0 "[ . 1 . 2]" 1
705 1 80 GLU H 1 80 GLU HB2 1.800 . 3.800 2.749 2.542 3.814 0.014 20 0 "[ . 1 . 2]" 1
706 1 57 ALA MB 1 81 GLY H 1.800 . 6.000 5.538 5.269 5.743 . 0 0 "[ . 1 . 2]" 1
707 1 78 THR MG 1 81 GLY H 1.800 . 3.800 2.928 2.759 3.082 . 0 0 "[ . 1 . 2]" 1
708 1 79 THR HA 1 81 GLY H 1.800 . 6.000 4.742 4.615 4.973 . 0 0 "[ . 1 . 2]" 1
709 1 80 GLU HA 1 81 GLY H 1.800 . 3.800 2.421 2.354 2.476 . 0 0 "[ . 1 . 2]" 1
710 1 80 GLU HB3 1 81 GLY H 1.800 . 6.000 4.318 4.230 4.626 . 0 0 "[ . 1 . 2]" 1
711 1 80 GLU QG 1 81 GLY H 1.800 . 6.000 4.698 4.420 4.872 . 0 0 "[ . 1 . 2]" 1
712 1 81 GLY H 1 82 GLU QB 1.800 . 6.000 4.831 4.670 5.065 . 0 0 "[ . 1 . 2]" 1
713 1 57 ALA MB 1 82 GLU H 1.800 . 6.000 4.760 4.607 4.920 . 0 0 "[ . 1 . 2]" 1
714 1 80 GLU HA 1 82 GLU H 1.800 . 4.600 3.614 3.479 3.739 . 0 0 "[ . 1 . 2]" 1
715 1 81 GLY HA3 1 82 GLU H 1.800 . 3.800 2.929 2.839 3.007 . 0 0 "[ . 1 . 2]" 1
716 1 81 GLY HA2 1 82 GLU H 1.800 . 3.800 3.564 3.545 3.579 . 0 0 "[ . 1 . 2]" 1
717 1 81 GLY H 1 82 GLU H 1.800 . 3.800 2.736 2.702 2.781 . 0 0 "[ . 1 . 2]" 1
718 1 82 GLU H 1 82 GLU HA 1.800 . 3.000 2.853 2.841 2.861 . 0 0 "[ . 1 . 2]" 1
719 1 82 GLU H 1 82 GLU QB 1.800 . 3.000 2.455 2.342 2.674 . 0 0 "[ . 1 . 2]" 1
720 1 82 GLU H 1 82 GLU HG3 1.800 . 3.800 2.687 2.359 3.623 . 0 0 "[ . 1 . 2]" 1
721 1 82 GLU H 1 82 GLU HG2 1.800 . 3.800 3.192 2.118 3.801 0.001 9 0 "[ . 1 . 2]" 1
722 1 82 GLU H 1 83 GLN H 1.800 . 3.000 2.663 2.618 2.727 . 0 0 "[ . 1 . 2]" 1
723 1 82 GLU H 1 84 ILE H 1.800 . 4.600 4.287 4.167 4.408 . 0 0 "[ . 1 . 2]" 1
724 1 82 GLU H 1 85 ALA MB 1.800 . 6.000 4.983 4.913 5.065 . 0 0 "[ . 1 . 2]" 1
725 1 9 PHE QE 1 83 GLN H 1.800 . 6.000 5.273 4.909 5.539 . 0 0 "[ . 1 . 2]" 1
726 1 80 GLU HA 1 83 GLN H 1.800 . 4.600 4.015 3.892 4.152 . 0 0 "[ . 1 . 2]" 1
727 1 81 GLY HA3 1 83 GLN H 1.800 . 6.000 4.801 4.712 4.940 . 0 0 "[ . 1 . 2]" 1
728 1 81 GLY HA2 1 83 GLN H 1.800 . 6.000 4.412 4.331 4.540 . 0 0 "[ . 1 . 2]" 1
729 1 81 GLY H 1 83 GLN H 1.800 . 6.000 4.332 4.200 4.473 . 0 0 "[ . 1 . 2]" 1
730 1 82 GLU QB 1 83 GLN HE21 1.800 . 4.600 3.198 2.283 4.618 0.018 6 0 "[ . 1 . 2]" 1
731 1 82 GLU QB 1 83 GLN HE22 1.800 . 4.600 3.008 2.385 4.636 0.036 10 0 "[ . 1 . 2]" 1
732 1 82 GLU HG2 1 83 GLN HE22 1.800 . 6.000 5.299 3.576 6.313 0.313 17 0 "[ . 1 . 2]" 1
733 1 82 GLU QB 1 83 GLN H 1.800 . 3.800 2.920 2.646 3.572 . 0 0 "[ . 1 . 2]" 1
734 1 83 GLN HA 1 83 GLN HE21 1.800 . 6.000 2.974 2.492 4.799 . 0 0 "[ . 1 . 2]" 1
735 1 83 GLN H 1 83 GLN HA 1.800 . 3.000 2.860 2.852 2.866 . 0 0 "[ . 1 . 2]" 1
736 1 83 GLN H 1 83 GLN HB3 1.800 . 3.800 3.572 3.514 3.641 . 0 0 "[ . 1 . 2]" 1
737 1 83 GLN H 1 83 GLN HB2 1.800 . 3.800 2.333 2.217 2.608 . 0 0 "[ . 1 . 2]" 1
738 1 83 GLN H 1 83 GLN HG3 1.800 . 3.800 3.802 3.691 3.878 0.078 16 0 "[ . 1 . 2]" 1
739 1 83 GLN H 1 83 GLN HG2 1.800 . 4.600 3.764 2.268 4.285 . 0 0 "[ . 1 . 2]" 1
740 1 83 GLN H 1 84 ILE HB 1.800 . 6.000 4.978 4.948 5.012 . 0 0 "[ . 1 . 2]" 1
741 1 83 GLN H 1 84 ILE HG13 1.800 . 6.000 4.336 4.283 4.397 . 0 0 "[ . 1 . 2]" 1
742 1 83 GLN H 1 84 ILE MG 1.800 . 6.000 5.994 5.971 6.020 0.020 13 0 "[ . 1 . 2]" 1
743 1 83 GLN H 1 84 ILE H 1.800 . 3.000 2.656 2.626 2.688 . 0 0 "[ . 1 . 2]" 1
744 1 83 GLN H 1 85 ALA H 1.800 . 4.600 4.241 4.206 4.301 . 0 0 "[ . 1 . 2]" 1
745 1 81 GLY HA2 1 84 ILE H 1.800 . 6.000 3.662 3.499 3.794 . 0 0 "[ . 1 . 2]" 1
746 1 83 GLN HA 1 84 ILE H 1.800 . 3.800 3.581 3.572 3.589 . 0 0 "[ . 1 . 2]" 1
747 1 83 GLN HB3 1 84 ILE H 1.800 . 3.800 3.571 3.400 3.821 0.021 17 0 "[ . 1 . 2]" 1
748 1 83 GLN HB2 1 84 ILE H 1.800 . 3.800 2.888 2.715 2.991 . 0 0 "[ . 1 . 2]" 1
749 1 84 ILE H 1 84 ILE HB 1.800 . 3.000 2.571 2.551 2.586 . 0 0 "[ . 1 . 2]" 1
750 1 84 ILE H 1 84 ILE HG13 1.800 . 4.600 2.225 2.206 2.268 . 0 0 "[ . 1 . 2]" 1
751 1 84 ILE H 1 84 ILE MG 1.800 . 4.600 3.834 3.832 3.838 . 0 0 "[ . 1 . 2]" 1
752 1 84 ILE H 1 85 ALA MB 1.800 . 6.000 4.368 4.354 4.387 . 0 0 "[ . 1 . 2]" 1
753 1 84 ILE H 1 85 ALA H 1.800 . 3.000 2.672 2.663 2.684 . 0 0 "[ . 1 . 2]" 1
754 1 57 ALA MB 1 85 ALA H 1.800 . 6.000 4.042 3.833 4.310 . 0 0 "[ . 1 . 2]" 1
755 1 62 PHE QD 1 85 ALA H 1.800 . 6.000 4.437 4.173 4.679 . 0 0 "[ . 1 . 2]" 1
756 1 62 PHE QE 1 85 ALA H 1.800 . 6.000 3.439 3.290 3.518 . 0 0 "[ . 1 . 2]" 1
757 1 62 PHE HZ 1 85 ALA H 1.800 . 6.000 5.309 4.940 5.511 . 0 0 "[ . 1 . 2]" 1
758 1 81 GLY HA2 1 85 ALA H 1.800 . 6.000 4.244 4.122 4.343 . 0 0 "[ . 1 . 2]" 1
759 1 82 GLU HA 1 85 ALA H 1.800 . 3.800 3.734 3.690 3.811 0.011 16 0 "[ . 1 . 2]" 1
760 1 84 ILE HA 1 85 ALA H 1.800 . 3.800 3.585 3.583 3.588 . 0 0 "[ . 1 . 2]" 1
761 1 84 ILE HB 1 85 ALA H 1.800 . 3.800 2.742 2.731 2.751 . 0 0 "[ . 1 . 2]" 1
762 1 84 ILE HG13 1 85 ALA H 1.800 . 6.000 4.358 4.337 4.389 . 0 0 "[ . 1 . 2]" 1
763 1 84 ILE MG 1 85 ALA H 1.800 . 3.800 3.524 3.493 3.546 . 0 0 "[ . 1 . 2]" 1
764 1 85 ALA H 1 85 ALA MB 1.800 . 3.800 2.260 2.257 2.265 . 0 0 "[ . 1 . 2]" 1
765 1 85 ALA H 1 86 GLN HB3 1.800 . 6.000 5.474 5.235 6.367 0.367 13 0 "[ . 1 . 2]" 1
766 1 85 ALA H 1 86 GLN H 1.800 . 3.800 2.758 2.706 2.798 . 0 0 "[ . 1 . 2]" 1
767 1 84 ILE HB 1 86 GLN H 1.800 . 6.000 5.243 5.182 5.298 . 0 0 "[ . 1 . 2]" 1
768 1 85 ALA HA 1 86 GLN H 1.800 . 3.800 3.574 3.566 3.581 . 0 0 "[ . 1 . 2]" 1
769 1 85 ALA MB 1 86 GLN H 1.800 . 3.000 2.613 2.572 2.653 . 0 0 "[ . 1 . 2]" 1
770 1 86 GLN HA 1 86 GLN HE21 1.800 . 6.000 4.474 2.362 4.963 . 0 0 "[ . 1 . 2]" 1
771 1 86 GLN HA 1 86 GLN HE22 1.800 . 6.000 5.683 3.462 5.983 . 0 0 "[ . 1 . 2]" 1
772 1 86 GLN H 1 86 GLN HB3 1.800 . 3.800 2.920 2.743 3.610 . 0 0 "[ . 1 . 2]" 1
773 1 86 GLN H 1 86 GLN HB2 1.800 . 3.800 2.383 2.349 2.401 . 0 0 "[ . 1 . 2]" 1
774 1 86 GLN H 1 86 GLN HG3 1.800 . 4.600 4.006 2.521 4.537 . 0 0 "[ . 1 . 2]" 1
775 1 86 GLN H 1 87 LEU H 1.800 . 3.000 2.623 2.609 2.633 . 0 0 "[ . 1 . 2]" 1
776 1 84 ILE HA 1 87 LEU H 1.800 . 4.600 3.522 3.507 3.535 . 0 0 "[ . 1 . 2]" 1
777 1 84 ILE HB 1 87 LEU H 1.800 . 6.000 5.639 5.618 5.657 . 0 0 "[ . 1 . 2]" 1
778 1 85 ALA HA 1 87 LEU H 1.800 . 6.000 4.380 4.341 4.406 . 0 0 "[ . 1 . 2]" 1
779 1 86 GLN HA 1 87 LEU H 1.800 . 3.800 3.547 3.544 3.550 . 0 0 "[ . 1 . 2]" 1
780 1 86 GLN HB3 1 87 LEU H 1.800 . 4.600 3.058 2.880 3.764 . 0 0 "[ . 1 . 2]" 1
781 1 86 GLN HB2 1 87 LEU H 1.800 . 4.600 3.703 2.925 3.904 . 0 0 "[ . 1 . 2]" 1
782 1 86 GLN HG3 1 87 LEU H 1.800 . 6.000 4.985 4.467 5.118 . 0 0 "[ . 1 . 2]" 1
783 1 87 LEU H 1 87 LEU HB3 1.800 . 3.800 2.831 2.801 2.860 . 0 0 "[ . 1 . 2]" 1
784 1 87 LEU H 1 87 LEU HB2 1.800 . 3.800 2.284 2.265 2.306 . 0 0 "[ . 1 . 2]" 1
785 1 87 LEU H 1 87 LEU MD1 1.800 . 6.000 3.842 3.806 3.878 . 0 0 "[ . 1 . 2]" 1
786 1 87 LEU H 1 87 LEU MD2 1.800 . 6.000 4.360 4.349 4.376 . 0 0 "[ . 1 . 2]" 1
787 1 87 LEU H 1 87 LEU HG 1.800 . 4.600 4.550 4.541 4.558 . 0 0 "[ . 1 . 2]" 1
788 1 87 LEU H 1 88 ILE H 1.800 . 3.800 2.704 2.682 2.725 . 0 0 "[ . 1 . 2]" 1
789 1 87 LEU H 1 89 ALA H 1.800 . 4.600 4.198 4.131 4.239 . 0 0 "[ . 1 . 2]" 1
790 1 84 ILE HA 1 88 ILE H 1.800 . 4.600 4.318 4.229 4.399 . 0 0 "[ . 1 . 2]" 1
791 1 84 ILE MG 1 88 ILE H 1.800 . 6.000 4.143 4.093 4.200 . 0 0 "[ . 1 . 2]" 1
792 1 85 ALA HA 1 88 ILE H 1.800 . 3.800 3.768 3.703 3.815 0.015 12 0 "[ . 1 . 2]" 1
793 1 86 GLN HA 1 88 ILE H 1.800 . 6.000 4.582 4.510 4.660 . 0 0 "[ . 1 . 2]" 1
794 1 87 LEU HA 1 88 ILE H 1.800 . 4.600 3.585 3.579 3.591 . 0 0 "[ . 1 . 2]" 1
795 1 87 LEU HB3 1 88 ILE H 1.800 . 3.800 2.648 2.574 2.691 . 0 0 "[ . 1 . 2]" 1
796 1 87 LEU MD2 1 88 ILE H 1.800 . 6.000 4.349 4.269 4.407 . 0 0 "[ . 1 . 2]" 1
797 1 87 LEU HG 1 88 ILE H 1.800 . 6.000 4.435 4.373 4.478 . 0 0 "[ . 1 . 2]" 1
798 1 88 ILE H 1 88 ILE HB 1.800 . 3.000 2.580 2.558 2.598 . 0 0 "[ . 1 . 2]" 1
799 1 88 ILE H 1 88 ILE MD 1.800 . 4.600 3.350 3.333 3.373 . 0 0 "[ . 1 . 2]" 1
800 1 88 ILE H 1 88 ILE HG13 1.800 . 3.800 2.197 2.173 2.221 . 0 0 "[ . 1 . 2]" 1
801 1 88 ILE H 1 88 ILE MG 1.800 . 4.600 3.828 3.823 3.830 . 0 0 "[ . 1 . 2]" 1
802 1 88 ILE H 1 89 ALA H 1.800 . 3.800 2.666 2.648 2.675 . 0 0 "[ . 1 . 2]" 1
803 1 88 ILE H 1 90 GLY H 1.800 . 6.000 4.238 4.189 4.275 . 0 0 "[ . 1 . 2]" 1
804 1 55 TRP HE1 1 89 ALA H 1.800 . 6.000 4.933 4.548 5.446 . 0 0 "[ . 1 . 2]" 1
805 1 55 TRP HZ2 1 89 ALA H 1.800 . 4.600 4.281 3.939 4.590 . 0 0 "[ . 1 . 2]" 1
806 1 86 GLN HA 1 89 ALA H 1.800 . 6.000 3.682 3.629 3.721 . 0 0 "[ . 1 . 2]" 1
807 1 88 ILE HB 1 89 ALA H 1.800 . 3.800 2.695 2.652 2.735 . 0 0 "[ . 1 . 2]" 1
808 1 88 ILE MD 1 89 ALA H 1.800 . 4.600 4.461 4.425 4.507 . 0 0 "[ . 1 . 2]" 1
809 1 88 ILE HG13 1 89 ALA H 1.800 . 6.000 4.333 4.297 4.365 . 0 0 "[ . 1 . 2]" 1
810 1 88 ILE HG12 1 89 ALA H 1.800 . 6.000 5.166 5.137 5.189 . 0 0 "[ . 1 . 2]" 1
811 1 88 ILE MG 1 89 ALA H 1.800 . 4.600 3.532 3.497 3.563 . 0 0 "[ . 1 . 2]" 1
812 1 89 ALA H 1 89 ALA MB 1.800 . 3.000 2.257 2.255 2.258 . 0 0 "[ . 1 . 2]" 1
813 1 89 ALA H 1 90 GLY H 1.800 . 3.800 2.779 2.769 2.792 . 0 0 "[ . 1 . 2]" 1
814 1 89 ALA H 1 91 TYR H 1.800 . 4.600 4.322 4.283 4.374 . 0 0 "[ . 1 . 2]" 1
815 1 86 GLN HA 1 90 GLY H 1.800 . 6.000 4.210 4.037 4.327 . 0 0 "[ . 1 . 2]" 1
816 1 87 LEU HA 1 90 GLY H 1.800 . 6.000 3.731 3.664 3.768 . 0 0 "[ . 1 . 2]" 1
817 1 88 ILE HA 1 90 GLY H 1.800 . 4.600 4.480 4.459 4.497 . 0 0 "[ . 1 . 2]" 1
818 1 89 ALA HA 1 90 GLY H 1.800 . 6.000 3.579 3.578 3.582 . 0 0 "[ . 1 . 2]" 1
819 1 89 ALA MB 1 90 GLY H 1.800 . 3.000 2.591 2.585 2.604 . 0 0 "[ . 1 . 2]" 1
820 1 90 GLY H 1 91 TYR QD 1.800 . 6.000 5.335 5.286 5.356 . 0 0 "[ . 1 . 2]" 1
821 1 90 GLY H 1 91 TYR H 1.800 . 3.000 2.758 2.734 2.799 . 0 0 "[ . 1 . 2]" 1
822 1 90 GLY H 1 92 ILE H 1.800 . 4.600 4.308 4.272 4.328 . 0 0 "[ . 1 . 2]" 1
823 1 90 GLY H 1 93 ASP HB3 1.800 . 6.000 5.778 5.660 5.932 . 0 0 "[ . 1 . 2]" 1
824 1 90 GLY H 1 93 ASP HB2 1.800 . 6.000 5.403 5.260 5.558 . 0 0 "[ . 1 . 2]" 1
825 1 49 LEU MD1 1 91 TYR H 1.800 . 4.600 4.803 4.627 5.320 0.720 14 4 "[-* * 1 +. 2]" 1
826 1 87 LEU HA 1 91 TYR H 1.800 . 6.000 4.521 4.484 4.595 . 0 0 "[ . 1 . 2]" 1
827 1 88 ILE HA 1 91 TYR H 1.800 . 4.600 3.581 3.516 3.636 . 0 0 "[ . 1 . 2]" 1
828 1 88 ILE MG 1 91 TYR H 1.800 . 6.000 4.746 4.664 4.801 . 0 0 "[ . 1 . 2]" 1
829 1 89 ALA MB 1 91 TYR H 1.800 . 6.000 4.644 4.610 4.680 . 0 0 "[ . 1 . 2]" 1
830 1 90 GLY QA 1 91 TYR H 1.800 . 3.000 2.797 2.782 2.814 . 0 0 "[ . 1 . 2]" 1
831 1 91 TYR H 1 91 TYR HB2 1.800 . 3.800 2.455 2.442 2.481 . 0 0 "[ . 1 . 2]" 1
832 1 91 TYR H 1 91 TYR QD 1.800 . 3.800 3.407 3.381 3.422 . 0 0 "[ . 1 . 2]" 1
833 1 91 TYR H 1 91 TYR QE 1.800 . 6.000 4.867 4.823 4.891 . 0 0 "[ . 1 . 2]" 1
834 1 91 TYR H 1 92 ILE HB 1.800 . 6.000 5.013 4.971 5.060 . 0 0 "[ . 1 . 2]" 1
835 1 91 TYR H 1 92 ILE HG13 1.800 . 6.000 4.395 4.298 5.891 . 0 0 "[ . 1 . 2]" 1
836 1 91 TYR H 1 92 ILE HG12 1.800 . 6.000 5.925 4.297 6.019 0.019 18 0 "[ . 1 . 2]" 1
837 1 91 TYR H 1 92 ILE H 1.800 . 3.800 2.684 2.662 2.708 . 0 0 "[ . 1 . 2]" 1
838 1 91 TYR H 1 93 ASP HB2 1.800 . 6.000 5.656 5.511 5.801 . 0 0 "[ . 1 . 2]" 1
839 1 89 ALA HA 1 92 ILE H 1.800 . 4.600 3.755 3.707 3.805 . 0 0 "[ . 1 . 2]" 1
840 1 89 ALA MB 1 92 ILE H 1.800 . 6.000 4.814 4.774 4.857 . 0 0 "[ . 1 . 2]" 1
841 1 91 TYR QD 1 92 ILE H 1.800 . 6.000 4.649 4.636 4.660 . 0 0 "[ . 1 . 2]" 1
842 1 92 ILE H 1 92 ILE HB 1.800 . 3.000 2.581 2.560 2.601 . 0 0 "[ . 1 . 2]" 1
843 1 92 ILE H 1 92 ILE MD 1.800 . 4.600 3.356 3.261 3.385 . 0 0 "[ . 1 . 2]" 1
844 1 92 ILE H 1 92 ILE HG13 1.800 . 3.800 2.274 2.179 3.663 . 0 0 "[ . 1 . 2]" 1
845 1 92 ILE H 1 92 ILE HG12 1.800 . 3.800 3.568 2.209 3.673 . 0 0 "[ . 1 . 2]" 1
846 1 92 ILE H 1 92 ILE MG 1.800 . 4.600 3.827 3.821 3.830 . 0 0 "[ . 1 . 2]" 1
847 1 92 ILE H 1 93 ASP HA 1.800 . 6.000 5.239 5.229 5.250 . 0 0 "[ . 1 . 2]" 1
848 1 92 ILE H 1 93 ASP H 1.800 . 3.000 2.600 2.588 2.609 . 0 0 "[ . 1 . 2]" 1
849 1 89 ALA HA 1 93 ASP H 1.800 . 4.600 4.573 4.474 4.620 0.020 11 0 "[ . 1 . 2]" 1
850 1 89 ALA MB 1 93 ASP H 1.800 . 6.000 4.914 4.826 4.949 . 0 0 "[ . 1 . 2]" 1
851 1 90 GLY QA 1 93 ASP H 1.800 . 6.000 3.415 3.382 3.450 . 0 0 "[ . 1 . 2]" 1
852 1 92 ILE HA 1 93 ASP H 1.800 . 6.000 3.560 3.558 3.562 . 0 0 "[ . 1 . 2]" 1
853 1 92 ILE HB 1 93 ASP H 1.800 . 3.800 2.825 2.798 2.840 . 0 0 "[ . 1 . 2]" 1
854 1 92 ILE MD 1 93 ASP H 1.800 . 6.000 4.563 4.499 4.792 . 0 0 "[ . 1 . 2]" 1
855 1 92 ILE HG13 1 93 ASP H 1.800 . 6.000 4.382 4.331 5.076 . 0 0 "[ . 1 . 2]" 1
856 1 92 ILE HG12 1 93 ASP H 1.800 . 6.000 5.168 4.303 5.232 . 0 0 "[ . 1 . 2]" 1
857 1 92 ILE MG 1 93 ASP H 1.800 . 3.800 3.651 3.618 3.676 . 0 0 "[ . 1 . 2]" 1
858 1 93 ASP H 1 93 ASP HA 1.800 . 3.000 2.834 2.828 2.840 . 0 0 "[ . 1 . 2]" 1
859 1 93 ASP H 1 93 ASP HB3 1.800 . 3.000 2.770 2.685 2.875 . 0 0 "[ . 1 . 2]" 1
860 1 93 ASP H 1 93 ASP HB2 1.800 . 3.000 2.351 2.276 2.412 . 0 0 "[ . 1 . 2]" 1
861 1 93 ASP H 1 94 ILE H 1.800 . 3.800 2.722 2.708 2.737 . 0 0 "[ . 1 . 2]" 1
862 1 93 ASP H 1 95 ILE H 1.800 . 4.600 4.307 4.267 4.356 . 0 0 "[ . 1 . 2]" 1
863 1 90 GLY QA 1 94 ILE H 1.800 . 4.600 4.300 4.276 4.327 . 0 0 "[ . 1 . 2]" 1
864 1 91 TYR HA 1 94 ILE H 1.800 . 3.800 3.546 3.512 3.567 . 0 0 "[ . 1 . 2]" 1
865 1 91 TYR QD 1 94 ILE H 1.800 . 6.000 5.296 5.279 5.324 . 0 0 "[ . 1 . 2]" 1
866 1 92 ILE H 1 94 ILE H 1.800 . 6.000 4.209 4.197 4.222 . 0 0 "[ . 1 . 2]" 1
867 1 93 ASP HA 1 94 ILE H 1.800 . 3.800 3.567 3.565 3.570 . 0 0 "[ . 1 . 2]" 1
868 1 93 ASP HB3 1 94 ILE H 1.800 . 3.800 2.833 2.801 2.855 . 0 0 "[ . 1 . 2]" 1
869 1 93 ASP HB2 1 94 ILE H 1.800 . 4.600 3.876 3.787 3.950 . 0 0 "[ . 1 . 2]" 1
870 1 94 ILE H 1 94 ILE HB 1.800 . 3.000 2.570 2.550 2.585 . 0 0 "[ . 1 . 2]" 1
871 1 94 ILE H 1 94 ILE MD 1.800 . 6.000 3.360 3.344 3.378 . 0 0 "[ . 1 . 2]" 1
872 1 94 ILE H 1 94 ILE HG13 1.800 . 3.800 2.229 2.199 2.262 . 0 0 "[ . 1 . 2]" 1
873 1 94 ILE H 1 94 ILE HG12 1.800 . 3.800 3.669 3.637 3.700 . 0 0 "[ . 1 . 2]" 1
874 1 94 ILE H 1 94 ILE MG 1.800 . 4.600 3.828 3.825 3.832 . 0 0 "[ . 1 . 2]" 1
875 1 94 ILE H 1 96 LEU H 1.800 . 6.000 4.236 4.173 4.342 . 0 0 "[ . 1 . 2]" 1
876 1 91 TYR HA 1 95 ILE H 1.800 . 4.600 4.616 4.600 4.641 0.041 6 0 "[ . 1 . 2]" 1
877 1 92 ILE HA 1 95 ILE H 1.800 . 6.000 3.575 3.512 3.640 . 0 0 "[ . 1 . 2]" 1
878 1 94 ILE HA 1 95 ILE H 1.800 . 4.600 3.575 3.569 3.583 . 0 0 "[ . 1 . 2]" 1
879 1 94 ILE HB 1 95 ILE H 1.800 . 6.000 2.806 2.760 2.848 . 0 0 "[ . 1 . 2]" 1
880 1 95 ILE H 1 95 ILE HB 1.800 . 3.800 2.565 2.548 2.581 . 0 0 "[ . 1 . 2]" 1
881 1 95 ILE H 1 95 ILE MD 1.800 . 3.800 3.396 3.365 3.415 . 0 0 "[ . 1 . 2]" 1
882 1 95 ILE H 1 95 ILE HG12 1.800 . 3.800 3.072 2.207 3.658 . 0 0 "[ . 1 . 2]" 1
883 1 95 ILE H 1 95 ILE MG 1.800 . 4.600 3.827 3.824 3.830 . 0 0 "[ . 1 . 2]" 1
884 1 95 ILE H 1 96 LEU H 1.800 . 3.800 2.666 2.627 2.735 . 0 0 "[ . 1 . 2]" 1
885 1 95 ILE H 1 97 LYS H 1.800 . 6.000 4.201 3.968 4.319 . 0 0 "[ . 1 . 2]" 1
886 1 92 ILE HA 1 96 LEU H 1.800 . 6.000 4.360 4.196 4.597 . 0 0 "[ . 1 . 2]" 1
887 1 93 ASP HA 1 96 LEU H 1.800 . 3.800 3.646 3.591 3.713 . 0 0 "[ . 1 . 2]" 1
888 1 95 ILE HA 1 96 LEU H 1.800 . 3.800 3.578 3.571 3.589 . 0 0 "[ . 1 . 2]" 1
889 1 95 ILE HG12 1 96 LEU H 1.800 . 6.000 4.856 4.327 5.207 . 0 0 "[ . 1 . 2]" 1
890 1 96 LEU H 1 96 LEU HA 1.800 . 3.000 2.831 2.806 2.858 . 0 0 "[ . 1 . 2]" 1
891 1 96 LEU H 1 97 LYS H 1.800 . 3.000 2.732 2.600 2.828 . 0 0 "[ . 1 . 2]" 1
892 1 93 ASP HA 1 97 LYS H 1.800 . 4.600 4.441 4.199 4.625 0.025 9 0 "[ . 1 . 2]" 1
893 1 94 ILE HA 1 97 LYS H 1.800 . 3.800 3.709 3.410 3.816 0.016 17 0 "[ . 1 . 2]" 1
894 1 96 LEU HA 1 97 LYS H 1.800 . 3.800 3.557 3.525 3.574 . 0 0 "[ . 1 . 2]" 1
895 1 96 LEU QB 1 97 LYS H 1.800 . 4.600 2.778 2.688 2.882 . 0 0 "[ . 1 . 2]" 1
896 1 97 LYS H 1 97 LYS HA 1.800 . 3.000 2.874 2.862 2.890 . 0 0 "[ . 1 . 2]" 1
897 1 97 LYS H 1 97 LYS QB 1.800 . 3.000 2.291 2.226 2.386 . 0 0 "[ . 1 . 2]" 1
898 1 97 LYS H 1 97 LYS QD 1.800 . 4.600 4.247 3.847 4.629 0.029 5 0 "[ . 1 . 2]" 1
899 1 97 LYS H 1 97 LYS QE 1.800 . 6.000 5.442 4.464 6.080 0.080 19 0 "[ . 1 . 2]" 1
900 1 97 LYS H 1 97 LYS QG 1.800 . 4.600 3.356 2.485 3.991 . 0 0 "[ . 1 . 2]" 1
901 1 97 LYS H 1 98 LYS HA 1.800 . 6.000 5.231 5.184 5.254 . 0 0 "[ . 1 . 2]" 1
902 1 97 LYS H 1 98 LYS H 1.800 . 3.000 2.586 2.527 2.618 . 0 0 "[ . 1 . 2]" 1
903 1 94 ILE HA 1 98 LYS H 1.800 . 6.000 4.556 4.356 4.652 . 0 0 "[ . 1 . 2]" 1
904 1 95 ILE HA 1 98 LYS H 1.800 . 3.800 3.497 3.438 3.550 . 0 0 "[ . 1 . 2]" 1
905 1 95 ILE MG 1 98 LYS H 1.800 . 4.600 4.649 4.618 4.692 0.092 18 0 "[ . 1 . 2]" 1
906 1 96 LEU HA 1 98 LYS H 1.800 . 4.600 4.373 4.215 4.543 . 0 0 "[ . 1 . 2]" 1
907 1 96 LEU H 1 98 LYS H 1.800 . 4.600 4.205 4.150 4.250 . 0 0 "[ . 1 . 2]" 1
908 1 97 LYS HA 1 98 LYS H 1.800 . 3.800 3.549 3.530 3.560 . 0 0 "[ . 1 . 2]" 1
909 1 98 LYS H 1 98 LYS HA 1.800 . 3.000 2.898 2.878 2.926 . 0 0 "[ . 1 . 2]" 1
910 1 98 LYS H 1 98 LYS QB 1.800 . 3.000 2.359 2.313 2.402 . 0 0 "[ . 1 . 2]" 1
911 1 98 LYS H 1 98 LYS QE 1.800 . 6.000 4.777 4.648 5.036 . 0 0 "[ . 1 . 2]" 1
912 1 98 LYS H 1 98 LYS QG 1.800 . 3.800 2.607 2.489 2.741 . 0 0 "[ . 1 . 2]" 1
913 1 98 LYS H 1 99 LYS H 1.800 . 3.000 2.563 2.487 2.629 . 0 0 "[ . 1 . 2]" 1
914 1 98 LYS H 1 100 LYS H 1.800 . 6.000 5.583 5.292 5.994 . 0 0 "[ . 1 . 2]" 1
915 1 95 ILE HA 1 99 LYS H 1.800 . 6.000 3.907 3.675 4.282 . 0 0 "[ . 1 . 2]" 1
916 1 95 ILE MG 1 99 LYS H 1.800 . 4.600 3.814 3.629 4.059 . 0 0 "[ . 1 . 2]" 1
917 1 96 LEU HA 1 99 LYS H 1.800 . 4.600 3.864 3.718 4.023 . 0 0 "[ . 1 . 2]" 1
918 1 97 LYS HA 1 99 LYS H 1.800 . 6.000 4.865 4.635 5.120 . 0 0 "[ . 1 . 2]" 1
919 1 98 LYS HA 1 99 LYS H 1.800 . 3.800 3.591 3.579 3.601 . 0 0 "[ . 1 . 2]" 1
920 1 98 LYS QB 1 99 LYS H 1.800 . 3.800 2.562 2.420 2.751 . 0 0 "[ . 1 . 2]" 1
921 1 98 LYS QG 1 99 LYS H 1.800 . 4.600 4.216 4.082 4.350 . 0 0 "[ . 1 . 2]" 1
922 1 99 LYS H 1 99 LYS HA 1.800 . 3.000 2.947 2.906 2.961 . 0 0 "[ . 1 . 2]" 1
923 1 99 LYS H 1 99 LYS QB 1.800 . 3.800 2.707 2.374 3.298 . 0 0 "[ . 1 . 2]" 1
924 1 99 LYS H 1 99 LYS QD 1.800 . 4.600 4.389 4.154 4.615 0.015 18 0 "[ . 1 . 2]" 1
925 1 99 LYS H 1 99 LYS QE 1.800 . 6.000 5.060 3.764 6.047 0.047 4 0 "[ . 1 . 2]" 1
926 1 99 LYS H 1 99 LYS QG 1.800 . 4.600 2.931 2.384 4.059 . 0 0 "[ . 1 . 2]" 1
927 1 99 LYS H 1 100 LYS H 1.800 . 3.800 3.852 3.829 3.909 0.109 7 0 "[ . 1 . 2]" 1
928 1 97 LYS HA 1 100 LYS H 1.800 . 6.000 5.586 5.435 5.836 . 0 0 "[ . 1 . 2]" 1
929 1 99 LYS HA 1 100 LYS H 1.800 . 3.000 2.249 2.149 2.357 . 0 0 "[ . 1 . 2]" 1
930 1 100 LYS H 1 100 LYS HA 1.800 . 3.000 2.870 2.254 2.962 . 0 0 "[ . 1 . 2]" 1
931 1 100 LYS H 1 100 LYS HB3 1.800 . 3.800 3.012 2.653 3.800 0.000 3 0 "[ . 1 . 2]" 1
932 1 100 LYS H 1 100 LYS HB2 1.800 . 3.800 2.824 2.344 3.796 . 0 0 "[ . 1 . 2]" 1
933 1 100 LYS H 1 100 LYS QD 1.800 . 6.000 4.402 3.862 5.116 . 0 0 "[ . 1 . 2]" 1
934 1 100 LYS H 1 100 LYS QG 1.800 . 4.600 3.589 2.112 4.411 . 0 0 "[ . 1 . 2]" 1
935 1 100 LYS HA 1 101 SER H 1.800 . 3.000 2.228 2.164 2.283 . 0 0 "[ . 1 . 2]" 1
936 1 100 LYS HB3 1 101 SER H 1.800 . 4.600 3.834 3.025 4.266 . 0 0 "[ . 1 . 2]" 1
937 1 100 LYS HB2 1 101 SER H 1.800 . 6.000 4.068 2.814 4.538 . 0 0 "[ . 1 . 2]" 1
938 1 100 LYS QE 1 101 SER H 1.800 . 6.000 4.970 3.870 6.009 0.009 2 0 "[ . 1 . 2]" 1
939 1 100 LYS QG 1 101 SER H 1.800 . 6.000 3.092 2.541 4.385 . 0 0 "[ . 1 . 2]" 1
940 1 100 LYS H 1 101 SER H 1.800 . 6.000 4.481 3.730 4.628 . 0 0 "[ . 1 . 2]" 1
941 1 101 SER H 1 101 SER QB 1.800 . 3.800 2.730 2.429 3.085 . 0 0 "[ . 1 . 2]" 1
942 1 2 LEU HA 1 2 LEU MD2 1.800 . 4.600 3.382 2.293 3.910 . 0 0 "[ . 1 . 2]" 1
943 1 6 VAL HA 1 6 VAL MG1 1.800 . 3.000 2.362 2.353 2.376 . 0 0 "[ . 1 . 2]" 1
944 1 6 VAL HA 1 6 VAL MG2 1.800 . 3.000 2.492 2.481 2.504 . 0 0 "[ . 1 . 2]" 1
945 1 6 VAL MG1 1 7 SER HA 1.800 . 6.000 4.009 3.984 4.045 . 0 0 "[ . 1 . 2]" 1
946 1 6 VAL HB 1 8 PHE QD 1.800 . 3.800 3.805 3.767 3.818 0.018 20 0 "[ . 1 . 2]" 1
947 1 6 VAL HB 1 8 PHE QE 1.800 . 3.800 2.459 2.393 2.688 . 0 0 "[ . 1 . 2]" 1
948 1 6 VAL HB 1 8 PHE HZ 1.800 . 6.000 3.805 3.704 3.900 . 0 0 "[ . 1 . 2]" 1
949 1 6 VAL MG1 1 8 PHE HA 1.800 . 6.000 4.113 3.998 4.198 . 0 0 "[ . 1 . 2]" 1
950 1 6 VAL MG1 1 8 PHE QD 1.800 . 6.000 3.481 3.396 3.628 . 0 0 "[ . 1 . 2]" 1
951 1 6 VAL MG1 1 8 PHE QE 1.800 . 4.600 2.938 2.826 3.146 . 0 0 "[ . 1 . 2]" 1
952 1 6 VAL MG1 1 8 PHE HZ 1.800 . 3.800 2.954 2.825 3.067 . 0 0 "[ . 1 . 2]" 1
953 1 6 VAL MG2 1 8 PHE QE 1.800 . 4.600 3.688 3.648 3.738 . 0 0 "[ . 1 . 2]" 1
954 1 6 VAL MG2 1 8 PHE HZ 1.800 . 6.000 3.930 3.808 4.061 . 0 0 "[ . 1 . 2]" 1
955 1 6 VAL MG1 1 27 GLY HA2 1.800 . 4.600 3.250 3.115 3.387 . 0 0 "[ . 1 . 2]" 1
956 1 6 VAL MG1 1 27 GLY HA3 1.800 . 4.600 3.223 3.098 3.338 . 0 0 "[ . 1 . 2]" 1
957 1 6 VAL MG1 1 29 THR MG 1.800 . 3.000 2.102 2.077 2.125 . 0 0 "[ . 1 . 2]" 1
958 1 6 VAL MG2 1 29 THR HB 1.800 . 6.000 4.349 4.208 4.449 . 0 0 "[ . 1 . 2]" 1
959 1 6 VAL MG2 1 29 THR MG 1.800 . 3.000 2.375 2.254 2.474 . 0 0 "[ . 1 . 2]" 1
960 1 6 VAL MG1 1 34 MET ME 1.800 . 3.800 3.059 2.902 3.366 . 0 0 "[ . 1 . 2]" 1
961 1 6 VAL MG2 1 34 MET ME 1.800 . 3.800 3.618 3.415 3.813 0.013 9 0 "[ . 1 . 2]" 1
962 1 7 SER HA 1 8 PHE QD 1.800 . 6.000 3.967 3.823 4.463 . 0 0 "[ . 1 . 2]" 1
963 1 7 SER HA 1 9 PHE QE 1.800 . 6.000 5.122 4.596 5.429 . 0 0 "[ . 1 . 2]" 1
964 1 7 SER QB 1 9 PHE QD 1.800 . 6.000 4.004 3.772 4.310 . 0 0 "[ . 1 . 2]" 1
965 1 7 SER QB 1 9 PHE QE 1.800 . 3.000 2.784 2.323 3.005 0.005 7 0 "[ . 1 . 2]" 1
966 1 7 SER QB 1 87 LEU MD1 1.800 . 3.800 3.786 3.703 3.816 0.016 8 0 "[ . 1 . 2]" 1
967 1 7 SER QB 1 87 LEU MD2 1.800 . 3.800 2.532 2.396 2.958 . 0 0 "[ . 1 . 2]" 1
968 1 8 PHE HA 1 8 PHE QE 1.800 . 4.600 4.597 4.431 4.618 0.018 9 0 "[ . 1 . 2]" 1
969 1 8 PHE HA 1 9 PHE QD 1.800 . 6.000 3.612 3.179 3.999 . 0 0 "[ . 1 . 2]" 1
970 1 8 PHE QD 1 25 LEU HB2 1.800 . 4.600 4.638 4.029 4.999 0.399 11 0 "[ . 1 . 2]" 1
971 1 8 PHE HA 1 9 PHE HA 1.800 . 4.600 4.461 4.450 4.468 . 0 0 "[ . 1 . 2]" 1
972 1 8 PHE HA 1 9 PHE HB2 1.800 . 6.000 4.462 4.408 4.548 . 0 0 "[ . 1 . 2]" 1
973 1 9 PHE HA 1 9 PHE QE 1.800 . 6.000 4.673 4.569 4.786 . 0 0 "[ . 1 . 2]" 1
974 1 9 PHE QD 1 80 GLU HB3 1.800 . 6.000 4.524 4.276 5.026 . 0 0 "[ . 1 . 2]" 1
975 1 9 PHE QD 1 80 GLU HB2 1.800 . 6.000 3.230 3.042 4.585 . 0 0 "[ . 1 . 2]" 1
976 1 9 PHE QD 1 80 GLU QG 1.800 . 6.000 3.928 2.199 4.647 . 0 0 "[ . 1 . 2]" 1
977 1 9 PHE QD 1 83 GLN HB3 1.800 . 6.000 5.032 4.610 5.309 . 0 0 "[ . 1 . 2]" 1
978 1 9 PHE QD 1 84 ILE HG13 1.800 . 4.600 3.568 3.078 4.028 . 0 0 "[ . 1 . 2]" 1
979 1 9 PHE QD 1 84 ILE HG12 1.800 . 6.000 3.254 3.100 3.324 . 0 0 "[ . 1 . 2]" 1
980 1 9 PHE QD 1 84 ILE MG 1.800 . 6.000 4.214 4.051 4.463 . 0 0 "[ . 1 . 2]" 1
981 1 9 PHE QE 1 84 ILE HG13 1.800 . 6.000 3.444 3.059 3.975 . 0 0 "[ . 1 . 2]" 1
982 1 9 PHE QE 1 84 ILE HG12 1.800 . 3.800 3.390 3.316 3.516 . 0 0 "[ . 1 . 2]" 1
983 1 9 PHE QE 1 84 ILE MG 1.800 . 6.000 4.139 3.968 4.498 . 0 0 "[ . 1 . 2]" 1
984 1 9 PHE QD 1 87 LEU MD1 1.800 . 6.000 5.961 5.841 6.017 0.017 18 0 "[ . 1 . 2]" 1
985 1 9 PHE QE 1 87 LEU MD1 1.800 . 6.000 4.109 3.960 4.211 . 0 0 "[ . 1 . 2]" 1
986 1 9 PHE QE 1 87 LEU MD2 1.800 . 3.000 2.301 2.157 2.452 . 0 0 "[ . 1 . 2]" 1
987 1 9 PHE QE 1 87 LEU HG 1.800 . 6.000 5.207 4.996 5.317 . 0 0 "[ . 1 . 2]" 1
988 1 10 LEU HA 1 10 LEU QD 1.800 . 3.000 2.224 2.020 2.612 . 0 0 "[ . 1 . 2]" 1
989 1 10 LEU HB3 1 10 LEU HG 1.800 . 3.000 2.794 2.413 3.031 0.031 10 0 "[ . 1 . 2]" 1
990 1 10 LEU HA 1 25 LEU HA 1.800 . 6.000 3.450 3.234 3.540 . 0 0 "[ . 1 . 2]" 1
991 1 10 LEU QD 1 25 LEU HA 1.800 . 4.600 3.664 3.392 4.447 . 0 0 "[ . 1 . 2]" 1
992 1 9 PHE HB2 1 11 VAL QG 1.800 . 6.000 3.247 3.051 3.372 . 0 0 "[ . 1 . 2]" 1
993 1 11 VAL HA 1 11 VAL HB 1.800 . 3.000 2.520 2.495 2.533 . 0 0 "[ . 1 . 2]" 1
994 1 11 VAL QG 1 12 LYS HA 1.800 . 4.600 4.035 3.926 4.101 . 0 0 "[ . 1 . 2]" 1
995 1 11 VAL QG 1 23 PRO HA 1.800 . 6.000 5.191 4.966 5.441 . 0 0 "[ . 1 . 2]" 1
996 1 11 VAL HA 1 76 VAL QG 1.800 . 6.000 4.147 3.671 4.510 . 0 0 "[ . 1 . 2]" 1
997 1 11 VAL HB 1 76 VAL QG 1.800 . 4.600 2.392 1.972 2.750 . 0 0 "[ . 1 . 2]" 1
998 1 11 VAL HA 1 78 THR HA 1.800 . 6.000 3.134 2.959 3.384 . 0 0 "[ . 1 . 2]" 1
999 1 11 VAL HA 1 78 THR HB 1.800 . 6.000 4.721 4.268 5.389 . 0 0 "[ . 1 . 2]" 1
1000 1 11 VAL QG 1 78 THR HB 1.800 . 3.800 2.530 2.196 3.115 . 0 0 "[ . 1 . 2]" 1
1001 1 12 LYS QE 1 12 LYS QG 1.800 . 3.000 2.169 2.156 2.275 . 0 0 "[ . 1 . 2]" 1
1002 1 12 LYS QB 1 21 LEU HA 1.800 . 6.000 4.033 3.743 4.315 . 0 0 "[ . 1 . 2]" 1
1003 1 12 LYS QB 1 21 LEU MD1 1.800 . 3.000 2.984 2.879 3.013 0.013 9 0 "[ . 1 . 2]" 1
1004 1 12 LYS QD 1 21 LEU MD2 1.800 . 6.000 3.909 3.486 4.693 . 0 0 "[ . 1 . 2]" 1
1005 1 12 LYS QD 1 22 VAL HA 1.800 . 6.000 4.709 4.362 5.015 . 0 0 "[ . 1 . 2]" 1
1006 1 12 LYS HA 1 23 PRO HA 1.800 . 6.000 2.901 2.542 3.196 . 0 0 "[ . 1 . 2]" 1
1007 1 12 LYS QB 1 23 PRO HA 1.800 . 6.000 4.021 3.769 4.240 . 0 0 "[ . 1 . 2]" 1
1008 1 12 LYS QD 1 23 PRO HA 1.800 . 4.600 4.345 4.243 4.450 . 0 0 "[ . 1 . 2]" 1
1009 1 12 LYS QG 1 23 PRO HA 1.800 . 3.000 2.288 2.164 2.428 . 0 0 "[ . 1 . 2]" 1
1010 1 12 LYS QD 1 77 GLN HB3 1.800 . 6.000 3.503 3.093 4.161 . 0 0 "[ . 1 . 2]" 1
1011 1 13 GLU HB3 1 74 TYR QE 1.800 . 6.000 5.576 4.149 6.021 0.021 4 0 "[ . 1 . 2]" 1
1012 1 13 GLU HB2 1 74 TYR QE 1.800 . 6.000 5.089 4.437 6.004 0.004 17 0 "[ . 1 . 2]" 1
1013 1 13 GLU HG2 1 74 TYR QE 1.800 . 6.000 4.891 2.455 5.852 . 0 0 "[ . 1 . 2]" 1
1014 1 13 GLU HG3 1 76 VAL QG 1.800 . 6.000 2.668 2.092 4.579 . 0 0 "[ . 1 . 2]" 1
1015 1 14 LYS HA 1 14 LYS QD 1.800 . 4.600 3.704 2.280 3.899 . 0 0 "[ . 1 . 2]" 1
1016 1 14 LYS QB 1 14 LYS QD 1.800 . 3.000 2.230 2.176 2.356 . 0 0 "[ . 1 . 2]" 1
1017 1 14 LYS HA 1 21 LEU HA 1.800 . 6.000 2.672 2.420 3.102 . 0 0 "[ . 1 . 2]" 1
1018 1 14 LYS HA 1 21 LEU MD2 1.800 . 3.800 2.469 2.192 2.656 . 0 0 "[ . 1 . 2]" 1
1019 1 14 LYS QD 1 21 LEU MD2 1.800 . 6.000 4.625 2.681 5.065 . 0 0 "[ . 1 . 2]" 1
1020 1 15 MET HG3 1 22 VAL QG 1.800 . 6.000 3.899 2.633 4.374 . 0 0 "[ . 1 . 2]" 1
1021 1 15 MET HG2 1 22 VAL QG 1.800 . 6.000 4.674 3.316 5.267 . 0 0 "[ . 1 . 2]" 1
1022 1 18 LYS HA 1 18 LYS QD 1.800 . 4.600 3.802 2.261 4.300 . 0 0 "[ . 1 . 2]" 1
1023 1 19 ASN HA 1 20 LYS HA 1.800 . 6.000 4.386 4.346 4.411 . 0 0 "[ . 1 . 2]" 1
1024 1 20 LYS HA 1 20 LYS QD 1.800 . 4.600 4.092 3.961 4.304 . 0 0 "[ . 1 . 2]" 1
1025 1 12 LYS QG 1 21 LEU HA 1.800 . 6.000 5.628 5.379 5.798 . 0 0 "[ . 1 . 2]" 1
1026 1 21 LEU HA 1 21 LEU MD2 1.800 . 3.800 2.195 2.163 2.221 . 0 0 "[ . 1 . 2]" 1
1027 1 21 LEU QB 1 21 LEU MD1 1.800 . 3.000 2.113 2.110 2.115 . 0 0 "[ . 1 . 2]" 1
1028 1 21 LEU QB 1 21 LEU MD2 1.800 . 3.000 2.267 2.256 2.281 . 0 0 "[ . 1 . 2]" 1
1029 1 21 LEU MD2 1 77 GLN HB2 1.800 . 6.000 3.382 3.049 3.730 . 0 0 "[ . 1 . 2]" 1
1030 1 21 LEU MD2 2 15 PHE QE 1.800 . 4.600 3.725 3.228 4.347 . 0 0 "[ . 1 . 2]" 1
1031 1 22 VAL HA 1 23 PRO HB2 1.800 . 6.000 5.581 5.310 5.684 . 0 0 "[ . 1 . 2]" 1
1032 1 22 VAL HA 1 23 PRO HD3 1.800 . 3.800 2.277 2.016 2.449 . 0 0 "[ . 1 . 2]" 1
1033 1 22 VAL HA 1 23 PRO HD2 1.800 . 3.800 2.605 2.329 3.024 . 0 0 "[ . 1 . 2]" 1
1034 1 22 VAL HB 1 23 PRO HA 1.800 . 6.000 5.160 4.933 6.171 0.171 12 0 "[ . 1 . 2]" 1
1035 1 22 VAL HB 1 23 PRO HD3 1.800 . 6.000 4.004 3.272 5.014 . 0 0 "[ . 1 . 2]" 1
1036 1 22 VAL HB 1 23 PRO HD2 1.800 . 6.000 3.065 2.354 4.263 . 0 0 "[ . 1 . 2]" 1
1037 1 22 VAL QG 1 23 PRO HD3 1.800 . 6.000 3.410 3.209 3.661 . 0 0 "[ . 1 . 2]" 1
1038 1 22 VAL QG 1 23 PRO HD2 1.800 . 6.000 2.783 2.039 3.365 . 0 0 "[ . 1 . 2]" 1
1039 1 12 LYS HA 1 23 PRO HB3 1.800 . 6.000 5.055 4.585 5.444 . 0 0 "[ . 1 . 2]" 1
1040 1 24 ARG HA 1 25 LEU HB3 1.800 . 6.000 5.747 5.731 5.773 . 0 0 "[ . 1 . 2]" 1
1041 1 24 ARG QG 1 26 LEU HA 1.800 . 6.000 4.983 4.475 5.361 . 0 0 "[ . 1 . 2]" 1
1042 1 24 ARG HD3 1 37 ASP HA 1.800 . 6.000 3.765 2.899 5.195 . 0 0 "[ . 1 . 2]" 1
1043 1 24 ARG HA 1 38 GLU QB 1.800 . 6.000 2.748 2.263 3.649 . 0 0 "[ . 1 . 2]" 1
1044 1 8 PHE QE 1 25 LEU HB2 1.800 . 6.000 5.210 4.701 5.480 . 0 0 "[ . 1 . 2]" 1
1045 1 8 PHE QD 1 25 LEU MD1 1.800 . 6.000 4.406 3.963 4.674 . 0 0 "[ . 1 . 2]" 1
1046 1 8 PHE HA 1 25 LEU MD2 1.800 . 6.000 5.155 4.924 5.423 . 0 0 "[ . 1 . 2]" 1
1047 1 8 PHE HB3 1 25 LEU MD2 1.800 . 6.000 3.199 2.860 3.510 . 0 0 "[ . 1 . 2]" 1
1048 1 8 PHE HB2 1 25 LEU MD2 1.800 . 4.600 4.331 3.958 4.633 0.033 8 0 "[ . 1 . 2]" 1
1049 1 8 PHE QD 1 25 LEU MD2 1.800 . 4.600 3.815 3.664 4.001 . 0 0 "[ . 1 . 2]" 1
1050 1 25 LEU HA 1 25 LEU MD2 1.800 . 3.000 2.194 2.165 2.219 . 0 0 "[ . 1 . 2]" 1
1051 1 25 LEU HB2 1 25 LEU MD1 1.800 . 3.800 2.255 2.250 2.262 . 0 0 "[ . 1 . 2]" 1
1052 1 25 LEU HA 1 26 LEU HA 1.800 . 6.000 4.461 4.457 4.468 . 0 0 "[ . 1 . 2]" 1
1053 1 25 LEU HB2 1 36 VAL HB 1.800 . 3.000 2.720 2.456 3.005 0.005 6 0 "[ . 1 . 2]" 1
1054 1 25 LEU MD1 1 36 VAL HB 1.800 . 6.000 3.672 3.429 4.071 . 0 0 "[ . 1 . 2]" 1
1055 1 25 LEU HB2 1 38 GLU HA 1.800 . 6.000 4.001 3.754 4.274 . 0 0 "[ . 1 . 2]" 1
1056 1 25 LEU MD1 1 38 GLU HA 1.800 . 3.800 2.320 2.153 2.948 . 0 0 "[ . 1 . 2]" 1
1057 1 25 LEU MD1 1 38 GLU QB 1.800 . 3.800 3.393 2.605 3.803 0.003 13 0 "[ . 1 . 2]" 1
1058 1 25 LEU MD2 1 38 GLU HA 1.800 . 6.000 4.632 4.361 5.073 . 0 0 "[ . 1 . 2]" 1
1059 1 25 LEU HG 1 38 GLU HA 1.800 . 3.800 3.490 3.119 3.809 0.009 14 0 "[ . 1 . 2]" 1
1060 1 25 LEU MD2 1 41 LYS QE 1.800 . 6.000 5.636 4.606 6.023 0.023 2 0 "[ . 1 . 2]" 1
1061 1 9 PHE QD 1 26 LEU HG 1.800 . 6.000 5.308 4.704 6.058 0.058 18 0 "[ . 1 . 2]" 1
1062 1 26 LEU HB2 1 26 LEU HG 1.800 . 3.000 2.922 2.647 3.031 0.031 16 0 "[ . 1 . 2]" 1
1063 1 26 LEU QD 1 34 MET HA 1.800 . 6.000 4.505 4.121 5.234 . 0 0 "[ . 1 . 2]" 1
1064 1 26 LEU HA 1 35 ARG HA 1.800 . 6.000 2.683 2.433 3.002 . 0 0 "[ . 1 . 2]" 1
1065 1 26 LEU QD 1 35 ARG QB 1.800 . 6.000 3.060 2.357 4.312 . 0 0 "[ . 1 . 2]" 1
1066 1 26 LEU HG 1 35 ARG HA 1.800 . 6.000 4.102 2.966 4.847 . 0 0 "[ . 1 . 2]" 1
1067 1 26 LEU QD 1 47 TRP HE3 1.800 . 6.000 4.476 4.007 5.006 . 0 0 "[ . 1 . 2]" 1
1068 1 26 LEU QD 1 62 PHE QD 1.800 . 6.000 4.913 4.608 5.131 . 0 0 "[ . 1 . 2]" 1
1069 1 26 LEU QD 1 74 TYR QE 1.800 . 6.000 2.887 2.318 3.353 . 0 0 "[ . 1 . 2]" 1
1070 1 8 PHE HA 1 27 GLY HA2 1.800 . 4.600 2.599 2.428 2.877 . 0 0 "[ . 1 . 2]" 1
1071 1 8 PHE QD 1 27 GLY HA2 1.800 . 6.000 2.880 2.528 3.136 . 0 0 "[ . 1 . 2]" 1
1072 1 8 PHE QE 1 27 GLY HA2 1.800 . 3.800 3.561 3.114 3.803 0.003 2 0 "[ . 1 . 2]" 1
1073 1 8 PHE HA 1 27 GLY HA3 1.800 . 6.000 4.217 3.991 4.554 . 0 0 "[ . 1 . 2]" 1
1074 1 8 PHE QD 1 27 GLY HA3 1.800 . 3.800 3.335 3.199 3.548 . 0 0 "[ . 1 . 2]" 1
1075 1 8 PHE QE 1 27 GLY HA3 1.800 . 3.000 2.775 2.377 3.006 0.006 20 0 "[ . 1 . 2]" 1
1076 1 9 PHE QD 1 27 GLY HA2 1.800 . 6.000 4.740 4.257 5.269 . 0 0 "[ . 1 . 2]" 1
1077 1 9 PHE QD 1 28 ILE HB 1.800 . 6.000 3.906 3.678 4.134 . 0 0 "[ . 1 . 2]" 1
1078 1 9 PHE QE 1 28 ILE HB 1.800 . 4.600 3.355 2.955 3.774 . 0 0 "[ . 1 . 2]" 1
1079 1 9 PHE QE 1 28 ILE HG13 1.800 . 6.000 4.344 3.677 5.867 . 0 0 "[ . 1 . 2]" 1
1080 1 9 PHE QD 1 28 ILE HG12 1.800 . 4.600 4.602 4.444 4.751 0.151 16 0 "[ . 1 . 2]" 1
1081 1 9 PHE QE 1 28 ILE HG12 1.800 . 6.000 5.256 4.836 5.572 . 0 0 "[ . 1 . 2]" 1
1082 1 9 PHE QE 1 28 ILE MG 1.800 . 4.600 4.312 4.101 4.625 0.025 15 0 "[ . 1 . 2]" 1
1083 1 28 ILE HG13 1 84 ILE MG 1.800 . 6.000 4.651 4.498 4.906 . 0 0 "[ . 1 . 2]" 1
1084 1 28 ILE HG12 1 84 ILE MG 1.800 . 6.000 4.297 3.565 4.501 . 0 0 "[ . 1 . 2]" 1
1085 1 28 ILE MG 1 84 ILE MG 1.800 . 6.000 3.811 3.551 3.936 . 0 0 "[ . 1 . 2]" 1
1086 1 28 ILE MG 1 88 ILE MD 1.800 . 6.000 3.740 3.541 3.905 . 0 0 "[ . 1 . 2]" 1
1087 1 28 ILE MG 1 91 TYR HB3 1.800 . 6.000 5.728 5.440 5.927 . 0 0 "[ . 1 . 2]" 1
1088 1 28 ILE MG 1 91 TYR QD 1.800 . 3.800 3.314 3.056 3.499 . 0 0 "[ . 1 . 2]" 1
1089 1 6 VAL HA 1 29 THR HA 1.800 . 4.600 3.977 3.690 4.132 . 0 0 "[ . 1 . 2]" 1
1090 1 6 VAL MG1 1 29 THR HA 1.800 . 6.000 3.771 3.679 3.868 . 0 0 "[ . 1 . 2]" 1
1091 1 6 VAL MG2 1 29 THR HA 1.800 . 4.600 4.587 4.430 4.610 0.010 12 0 "[ . 1 . 2]" 1
1092 1 6 VAL HA 1 29 THR HB 1.800 . 6.000 5.024 4.790 5.151 . 0 0 "[ . 1 . 2]" 1
1093 1 6 VAL HA 1 29 THR MG 1.800 . 3.000 2.945 2.722 3.011 0.011 11 0 "[ . 1 . 2]" 1
1094 1 29 THR HA 1 29 THR HB 1.800 . 3.000 2.491 2.475 2.502 . 0 0 "[ . 1 . 2]" 1
1095 1 29 THR HA 1 29 THR MG 1.800 . 3.800 2.414 2.395 2.438 . 0 0 "[ . 1 . 2]" 1
1096 1 29 THR MG 1 34 MET ME 1.800 . 3.000 2.478 2.294 2.645 . 0 0 "[ . 1 . 2]" 1
1097 1 29 THR HB 1 91 TYR QE 1.800 . 6.000 5.777 5.670 5.852 . 0 0 "[ . 1 . 2]" 1
1098 1 30 LYS HA 1 30 LYS QG 1.800 . 3.800 3.386 3.381 3.458 . 0 0 "[ . 1 . 2]" 1
1099 1 30 LYS HA 1 91 TYR HB3 1.800 . 3.800 3.009 2.594 3.427 . 0 0 "[ . 1 . 2]" 1
1100 1 30 LYS HA 1 91 TYR QD 1.800 . 6.000 3.077 3.022 3.122 . 0 0 "[ . 1 . 2]" 1
1101 1 31 GLU HA 1 31 GLU HG3 1.800 . 3.800 3.391 3.042 3.816 0.016 17 0 "[ . 1 . 2]" 1
1102 1 31 GLU HA 1 49 LEU HB3 1.800 . 3.800 3.838 3.824 3.849 0.049 12 0 "[ . 1 . 2]" 1
1103 1 31 GLU HA 1 49 LEU MD1 1.800 . 6.000 4.872 4.673 5.074 . 0 0 "[ . 1 . 2]" 1
1104 1 31 GLU HA 1 49 LEU MD2 1.800 . 6.000 3.383 3.221 3.595 . 0 0 "[ . 1 . 2]" 1
1105 1 32 SER HA 1 33 VAL HA 1.800 . 6.000 4.447 4.442 4.450 . 0 0 "[ . 1 . 2]" 1
1106 1 32 SER HA 1 33 VAL MG2 1.800 . 4.600 3.347 3.332 3.367 . 0 0 "[ . 1 . 2]" 1
1107 1 32 SER HB3 1 47 TRP H 1.800 . 6.000 4.975 3.753 5.841 . 0 0 "[ . 1 . 2]" 1
1108 1 32 SER HA 1 48 SER HA 1.800 . 4.600 2.901 2.765 3.033 . 0 0 "[ . 1 . 2]" 1
1109 1 32 SER HB3 1 48 SER HA 1.800 . 6.000 3.171 2.701 4.555 . 0 0 "[ . 1 . 2]" 1
1110 1 32 SER HA 1 49 LEU HB3 1.800 . 4.600 4.128 4.075 4.234 . 0 0 "[ . 1 . 2]" 1
1111 1 32 SER HA 1 49 LEU MD1 1.800 . 4.600 4.075 3.881 4.276 . 0 0 "[ . 1 . 2]" 1
1112 1 32 SER HA 1 49 LEU MD2 1.800 . 6.000 4.795 4.611 4.995 . 0 0 "[ . 1 . 2]" 1
1113 1 32 SER HA 1 33 VAL HB 1.800 . 6.000 4.865 4.824 4.901 . 0 0 "[ . 1 . 2]" 1
1114 1 33 VAL HA 1 33 VAL MG1 1.800 . 3.000 2.348 2.328 2.367 . 0 0 "[ . 1 . 2]" 1
1115 1 33 VAL MG1 1 34 MET HA 1.800 . 6.000 3.709 3.597 3.832 . 0 0 "[ . 1 . 2]" 1
1116 1 33 VAL HA 1 47 TRP HE3 1.800 . 6.000 5.246 4.862 5.495 . 0 0 "[ . 1 . 2]" 1
1117 1 33 VAL HB 1 47 TRP HE3 1.800 . 3.800 2.850 2.613 3.017 . 0 0 "[ . 1 . 2]" 1
1118 1 33 VAL MG1 1 47 TRP HB3 1.800 . 6.000 5.751 5.502 6.002 0.002 13 0 "[ . 1 . 2]" 1
1119 1 33 VAL MG1 1 47 TRP HE3 1.800 . 3.800 3.111 2.963 3.339 . 0 0 "[ . 1 . 2]" 1
1120 1 33 VAL MG1 1 47 TRP HZ3 1.800 . 3.800 3.582 3.330 3.809 0.009 1 0 "[ . 1 . 2]" 1
1121 1 33 VAL MG2 1 47 TRP HE3 1.800 . 4.600 4.351 4.128 4.543 . 0 0 "[ . 1 . 2]" 1
1122 1 33 VAL MG2 1 49 LEU HA 1.800 . 6.000 3.351 3.206 3.479 . 0 0 "[ . 1 . 2]" 1
1123 1 33 VAL HB 1 66 PHE QE 1.800 . 6.000 4.775 4.603 5.031 . 0 0 "[ . 1 . 2]" 1
1124 1 33 VAL MG2 1 66 PHE QE 1.800 . 4.600 4.615 4.598 4.630 0.030 17 0 "[ . 1 . 2]" 1
1125 1 33 VAL MG1 1 74 TYR QE 1.800 . 4.600 4.606 4.424 4.629 0.029 2 0 "[ . 1 . 2]" 1
1126 1 33 VAL MG1 1 84 ILE MG 1.800 . 6.000 4.895 4.686 5.097 . 0 0 "[ . 1 . 2]" 1
1127 1 33 VAL MG2 1 84 ILE MG 1.800 . 6.000 5.207 4.979 5.340 . 0 0 "[ . 1 . 2]" 1
1128 1 8 PHE QD 1 34 MET ME 1.800 . 6.000 5.926 5.744 6.029 0.029 9 0 "[ . 1 . 2]" 1
1129 1 8 PHE QE 1 34 MET ME 1.800 . 6.000 4.543 4.238 4.760 . 0 0 "[ . 1 . 2]" 1
1130 1 8 PHE HZ 1 34 MET ME 1.800 . 6.000 4.495 4.218 4.877 . 0 0 "[ . 1 . 2]" 1
1131 1 32 SER HB3 1 34 MET ME 1.800 . 6.000 5.556 4.320 6.145 0.145 12 0 "[ . 1 . 2]" 1
1132 1 34 MET HA 1 34 MET ME 1.800 . 6.000 5.133 4.581 5.341 . 0 0 "[ . 1 . 2]" 1
1133 1 34 MET ME 1 36 VAL MG2 1.800 . 6.000 4.177 4.031 4.450 . 0 0 "[ . 1 . 2]" 1
1134 1 34 MET HB2 1 43 VAL QG 1.800 . 6.000 2.356 2.115 3.663 . 0 0 "[ . 1 . 2]" 1
1135 1 34 MET ME 1 43 VAL QG 1.800 . 6.000 3.912 3.603 4.312 . 0 0 "[ . 1 . 2]" 1
1136 1 34 MET HG3 1 43 VAL QG 1.800 . 6.000 3.551 3.270 4.229 . 0 0 "[ . 1 . 2]" 1
1137 1 34 MET HA 1 46 GLU HA 1.800 . 4.600 2.373 2.294 2.491 . 0 0 "[ . 1 . 2]" 1
1138 1 34 MET HB3 1 46 GLU HA 1.800 . 4.600 3.718 3.279 4.581 . 0 0 "[ . 1 . 2]" 1
1139 1 34 MET HA 1 47 TRP HZ3 1.800 . 4.600 4.169 3.180 4.625 0.025 13 0 "[ . 1 . 2]" 1
1140 1 35 ARG QB 1 44 ILE HG12 1.800 . 6.000 5.852 4.951 6.026 0.026 9 0 "[ . 1 . 2]" 1
1141 1 35 ARG QB 1 47 TRP HZ3 1.800 . 4.600 3.102 2.284 4.421 . 0 0 "[ . 1 . 2]" 1
1142 1 35 ARG HD3 1 47 TRP HH2 1.800 . 3.800 2.884 2.145 4.650 0.850 18 1 "[ . 1 . + 2]" 1
1143 1 35 ARG HD3 1 47 TRP HZ3 1.800 . 6.000 3.889 3.266 5.668 . 0 0 "[ . 1 . 2]" 1
1144 1 35 ARG HD2 1 47 TRP HH2 1.800 . 6.000 4.191 2.244 5.420 . 0 0 "[ . 1 . 2]" 1
1145 1 35 ARG HD2 1 47 TRP HZ3 1.800 . 6.000 5.094 2.762 6.004 0.004 8 0 "[ . 1 . 2]" 1
1146 1 35 ARG QG 1 47 TRP HH2 1.800 . 6.000 4.041 2.967 5.432 . 0 0 "[ . 1 . 2]" 1
1147 1 35 ARG QG 1 47 TRP HZ3 1.800 . 6.000 3.861 2.537 5.096 . 0 0 "[ . 1 . 2]" 1
1148 1 35 ARG HD2 1 74 TYR QE 1.800 . 6.000 4.140 2.519 5.711 . 0 0 "[ . 1 . 2]" 1
1149 1 8 PHE QE 1 36 VAL HB 1.800 . 3.800 3.780 3.638 3.821 0.021 16 0 "[ . 1 . 2]" 1
1150 1 8 PHE QE 1 36 VAL MG1 1.800 . 4.600 4.054 3.816 4.240 . 0 0 "[ . 1 . 2]" 1
1151 1 8 PHE HZ 1 36 VAL MG1 1.800 . 6.000 5.111 4.851 5.338 . 0 0 "[ . 1 . 2]" 1
1152 1 8 PHE QD 1 36 VAL MG2 1.800 . 6.000 4.092 3.839 4.427 . 0 0 "[ . 1 . 2]" 1
1153 1 8 PHE QE 1 36 VAL MG2 1.800 . 3.000 2.565 2.330 2.907 . 0 0 "[ . 1 . 2]" 1
1154 1 8 PHE HZ 1 36 VAL MG2 1.800 . 4.600 3.937 3.613 4.190 . 0 0 "[ . 1 . 2]" 1
1155 1 36 VAL HA 1 36 VAL MG1 1.800 . 3.800 2.386 2.367 2.410 . 0 0 "[ . 1 . 2]" 1
1156 1 36 VAL HA 1 36 VAL MG2 1.800 . 3.800 2.473 2.450 2.492 . 0 0 "[ . 1 . 2]" 1
1157 1 36 VAL MG1 1 37 ASP HB2 1.800 . 6.000 4.430 4.297 4.492 . 0 0 "[ . 1 . 2]" 1
1158 1 36 VAL MG1 1 41 LYS HA 1.800 . 3.800 2.384 2.200 2.672 . 0 0 "[ . 1 . 2]" 1
1159 1 36 VAL MG1 1 42 GLU HA 1.800 . 6.000 3.312 3.215 3.378 . 0 0 "[ . 1 . 2]" 1
1160 1 36 VAL MG2 1 42 GLU HA 1.800 . 4.600 4.621 4.610 4.635 0.035 16 0 "[ . 1 . 2]" 1
1161 1 36 VAL HA 1 43 VAL HA 1.800 . 3.800 2.658 2.430 2.832 . 0 0 "[ . 1 . 2]" 1
1162 1 36 VAL HA 1 43 VAL QG 1.800 . 6.000 3.646 3.372 4.026 . 0 0 "[ . 1 . 2]" 1
1163 1 36 VAL MG1 1 43 VAL HA 1.800 . 6.000 3.609 3.452 3.750 . 0 0 "[ . 1 . 2]" 1
1164 1 36 VAL MG1 1 43 VAL QG 1.800 . 6.000 3.714 3.345 4.442 . 0 0 "[ . 1 . 2]" 1
1165 1 36 VAL MG2 1 43 VAL HA 1.800 . 6.000 3.014 2.770 3.223 . 0 0 "[ . 1 . 2]" 1
1166 1 36 VAL HA 1 44 ILE MD 1.800 . 6.000 3.989 2.415 4.587 . 0 0 "[ . 1 . 2]" 1
1167 1 24 ARG HD2 1 37 ASP HA 1.800 . 6.000 4.379 2.301 6.020 0.020 13 0 "[ . 1 . 2]" 1
1168 1 37 ASP HA 1 44 ILE MD 1.800 . 6.000 3.480 2.947 3.901 . 0 0 "[ . 1 . 2]" 1
1169 1 37 ASP HA 1 44 ILE HG13 1.800 . 6.000 5.113 4.688 5.652 . 0 0 "[ . 1 . 2]" 1
1170 1 37 ASP HB3 1 44 ILE MD 1.800 . 6.000 3.920 3.658 4.169 . 0 0 "[ . 1 . 2]" 1
1171 1 37 ASP HB2 1 44 ILE MD 1.800 . 6.000 2.372 2.151 2.688 . 0 0 "[ . 1 . 2]" 1
1172 1 37 ASP HB2 1 44 ILE HG13 1.800 . 6.000 3.360 3.170 3.526 . 0 0 "[ . 1 . 2]" 1
1173 1 40 THR HA 1 40 THR HB 1.800 . 3.000 2.517 2.508 2.539 . 0 0 "[ . 1 . 2]" 1
1174 1 40 THR HA 1 40 THR MG 1.800 . 3.000 2.365 2.341 2.375 . 0 0 "[ . 1 . 2]" 1
1175 1 40 THR HB 1 42 GLU HG3 1.800 . 3.800 2.884 2.402 3.717 . 0 0 "[ . 1 . 2]" 1
1176 1 40 THR HB 1 42 GLU HG2 1.800 . 6.000 4.031 3.444 4.454 . 0 0 "[ . 1 . 2]" 1
1177 1 41 LYS HA 1 41 LYS QD 1.800 . 4.600 2.916 2.233 3.990 . 0 0 "[ . 1 . 2]" 1
1178 1 41 LYS HA 1 41 LYS QE 1.800 . 6.000 4.236 3.728 4.626 . 0 0 "[ . 1 . 2]" 1
1179 1 41 LYS HA 1 41 LYS HG2 1.800 . 3.000 3.119 2.802 3.557 0.557 7 7 "[ **. + *- . **2]" 1
1180 1 41 LYS HB2 1 41 LYS QD 1.800 . 3.800 2.789 2.220 3.476 . 0 0 "[ . 1 . 2]" 1
1181 1 41 LYS QE 1 41 LYS HG3 1.800 . 3.000 2.470 2.295 2.822 . 0 0 "[ . 1 . 2]" 1
1182 1 42 GLU HA 1 42 GLU HG3 1.800 . 3.800 3.504 3.344 3.776 . 0 0 "[ . 1 . 2]" 1
1183 1 42 GLU HA 1 42 GLU HG2 1.800 . 3.000 2.615 2.473 2.859 . 0 0 "[ . 1 . 2]" 1
1184 1 42 GLU HA 1 43 VAL QG 1.800 . 6.000 3.656 3.431 4.073 . 0 0 "[ . 1 . 2]" 1
1185 1 43 VAL HA 1 43 VAL QG 1.800 . 3.800 2.199 2.158 2.275 . 0 0 "[ . 1 . 2]" 1
1186 1 43 VAL QG 1 45 GLN HA 1.800 . 3.800 3.680 3.562 3.787 . 0 0 "[ . 1 . 2]" 1
1187 1 43 VAL QG 1 46 GLU HA 1.800 . 6.000 4.236 4.002 4.393 . 0 0 "[ . 1 . 2]" 1
1188 1 43 VAL QG 1 46 GLU QB 1.800 . 6.000 2.903 2.789 3.074 . 0 0 "[ . 1 . 2]" 1
1189 1 43 VAL HA 1 44 ILE HG13 1.800 . 6.000 3.690 3.521 4.190 . 0 0 "[ . 1 . 2]" 1
1190 1 44 ILE HA 1 44 ILE MD 1.800 . 4.600 3.925 3.603 3.993 . 0 0 "[ . 1 . 2]" 1
1191 1 44 ILE HA 1 44 ILE HG13 1.800 . 3.800 2.964 2.578 3.071 . 0 0 "[ . 1 . 2]" 1
1192 1 44 ILE MG 1 45 GLN H 1.800 . 4.600 3.383 3.317 3.483 . 0 0 "[ . 1 . 2]" 1
1193 1 45 GLN HB2 1 47 TRP HZ2 1.800 . 6.000 5.077 4.245 5.400 . 0 0 "[ . 1 . 2]" 1
1194 1 45 GLN QG 1 47 TRP HH2 1.800 . 6.000 5.248 4.671 5.725 . 0 0 "[ . 1 . 2]" 1
1195 1 45 GLN QG 1 47 TRP HZ2 1.800 . 4.600 4.248 3.698 4.605 0.005 20 0 "[ . 1 . 2]" 1
1196 1 46 GLU HA 1 47 TRP HE3 1.800 . 6.000 3.505 3.092 4.004 . 0 0 "[ . 1 . 2]" 1
1197 1 46 GLU HA 1 47 TRP HZ2 1.800 . 6.000 6.020 5.986 6.052 0.052 12 0 "[ . 1 . 2]" 1
1198 1 47 TRP HZ3 1 64 LEU MD1 1.800 . 6.000 5.121 4.179 6.014 0.014 13 0 "[ . 1 . 2]" 1
1199 1 47 TRP HB3 1 66 PHE QE 1.800 . 6.000 2.486 2.364 2.690 . 0 0 "[ . 1 . 2]" 1
1200 1 47 TRP HD1 1 66 PHE QD 1.800 . 6.000 4.272 3.916 4.753 . 0 0 "[ . 1 . 2]" 1
1201 1 47 TRP HE3 1 66 PHE QE 1.800 . 6.000 4.416 3.978 4.851 . 0 0 "[ . 1 . 2]" 1
1202 1 47 TRP HE3 1 66 PHE HZ 1.800 . 6.000 3.693 3.210 4.370 . 0 0 "[ . 1 . 2]" 1
1203 1 47 TRP HZ2 1 66 PHE QE 1.800 . 6.000 4.569 4.285 4.931 . 0 0 "[ . 1 . 2]" 1
1204 1 47 TRP HZ2 1 66 PHE HZ 1.800 . 6.000 5.090 4.842 5.473 . 0 0 "[ . 1 . 2]" 1
1205 1 47 TRP HZ3 1 66 PHE HZ 1.800 . 6.000 4.778 4.167 5.523 . 0 0 "[ . 1 . 2]" 1
1206 1 47 TRP HD1 1 69 TYR QD 1.800 . 6.000 2.795 2.461 3.336 . 0 0 "[ . 1 . 2]" 1
1207 1 47 TRP HD1 1 69 TYR QE 1.800 . 4.600 2.981 2.435 3.448 . 0 0 "[ . 1 . 2]" 1
1208 1 47 TRP HH2 1 74 TYR QD 1.800 . 6.000 4.145 3.612 4.914 . 0 0 "[ . 1 . 2]" 1
1209 1 47 TRP HZ2 1 74 TYR HB3 1.800 . 6.000 6.012 6.002 6.034 0.034 18 0 "[ . 1 . 2]" 1
1210 1 47 TRP HZ2 1 74 TYR HB2 1.800 . 6.000 4.811 4.562 5.121 . 0 0 "[ . 1 . 2]" 1
1211 1 47 TRP HZ3 1 74 TYR QE 1.800 . 6.000 3.810 3.388 4.300 . 0 0 "[ . 1 . 2]" 1
1212 1 32 SER HB2 1 48 SER HA 1.800 . 4.600 3.529 2.773 4.358 . 0 0 "[ . 1 . 2]" 1
1213 1 48 SER HA 1 49 LEU HB2 1.800 . 6.000 4.440 4.383 4.484 . 0 0 "[ . 1 . 2]" 1
1214 1 49 LEU MD1 1 88 ILE HA 1.800 . 6.000 3.148 2.814 3.465 . 0 0 "[ . 1 . 2]" 1
1215 1 49 LEU MD2 1 88 ILE HA 1.800 . 6.000 4.429 4.136 4.752 . 0 0 "[ . 1 . 2]" 1
1216 1 49 LEU MD2 1 91 TYR HB2 1.800 . 6.000 2.514 2.369 2.784 . 0 0 "[ . 1 . 2]" 1
1217 1 50 THR HA 1 50 THR HB 1.800 . 3.000 2.522 2.506 2.528 . 0 0 "[ . 1 . 2]" 1
1218 1 50 THR HA 1 50 THR MG 1.800 . 3.000 2.368 2.365 2.371 . 0 0 "[ . 1 . 2]" 1
1219 1 47 TRP HD1 1 51 ASN HB3 1.800 . 6.000 5.943 5.485 6.048 0.048 1 0 "[ . 1 . 2]" 1
1220 1 50 THR HA 1 51 ASN HA 1.800 . 6.000 4.729 4.702 4.736 . 0 0 "[ . 1 . 2]" 1
1221 1 51 ASN HA 1 51 ASN HB3 1.800 . 3.000 2.577 2.542 2.793 . 0 0 "[ . 1 . 2]" 1
1222 1 51 ASN HA 1 51 ASN HB2 1.800 . 3.000 2.943 2.238 3.023 0.023 11 0 "[ . 1 . 2]" 1
1223 1 51 ASN HB3 1 66 PHE QD 1.800 . 6.000 3.898 3.375 5.081 . 0 0 "[ . 1 . 2]" 1
1224 1 51 ASN HB2 1 66 PHE QD 1.800 . 6.000 3.987 3.480 5.073 . 0 0 "[ . 1 . 2]" 1
1225 1 52 ILE MG 1 55 TRP HE3 1.800 . 6.000 2.270 2.144 2.967 . 0 0 "[ . 1 . 2]" 1
1226 1 52 ILE MG 1 55 TRP HZ3 1.800 . 6.000 3.103 2.245 3.762 . 0 0 "[ . 1 . 2]" 1
1227 1 52 ILE HA 1 66 PHE HA 1.800 . 4.600 2.719 2.410 3.138 . 0 0 "[ . 1 . 2]" 1
1228 1 52 ILE HA 1 66 PHE QD 1.800 . 3.800 2.966 2.753 3.292 . 0 0 "[ . 1 . 2]" 1
1229 1 52 ILE HA 1 66 PHE QE 1.800 . 6.000 4.325 3.923 4.613 . 0 0 "[ . 1 . 2]" 1
1230 1 52 ILE HG13 1 66 PHE QD 1.800 . 3.800 3.802 3.643 3.941 0.141 15 0 "[ . 1 . 2]" 1
1231 1 52 ILE HG13 1 66 PHE QE 1.800 . 4.600 3.628 3.268 4.352 . 0 0 "[ . 1 . 2]" 1
1232 1 52 ILE MG 1 66 PHE QD 1.800 . 6.000 4.143 3.903 5.063 . 0 0 "[ . 1 . 2]" 1
1233 1 52 ILE MG 1 66 PHE QE 1.800 . 6.000 4.342 3.934 5.412 . 0 0 "[ . 1 . 2]" 1
1234 1 52 ILE HB 1 88 ILE MG 1.800 . 6.000 4.414 4.225 4.692 . 0 0 "[ . 1 . 2]" 1
1235 1 52 ILE MG 1 88 ILE MG 1.800 . 3.800 3.612 3.300 3.816 0.016 2 0 "[ . 1 . 2]" 1
1236 1 54 ARG HA 1 55 TRP HE3 1.800 . 6.000 2.958 2.672 3.384 . 0 0 "[ . 1 . 2]" 1
1237 1 54 ARG HA 1 55 TRP HZ3 1.800 . 4.600 3.902 3.633 4.524 . 0 0 "[ . 1 . 2]" 1
1238 1 54 ARG HA 2 25 VAL HB 1.800 . 6.000 5.013 4.702 5.456 . 0 0 "[ . 1 . 2]" 1
1239 1 54 ARG HA 2 26 PTR HA 1.800 . 3.000 2.996 2.747 3.047 0.047 17 0 "[ . 1 . 2]" 1
1240 1 55 TRP HD1 1 56 ALA HA 1.800 . 6.000 4.070 3.765 4.236 . 0 0 "[ . 1 . 2]" 1
1241 1 55 TRP HD1 1 57 ALA MB 1.800 . 4.600 3.327 3.196 3.596 . 0 0 "[ . 1 . 2]" 1
1242 1 55 TRP HB3 1 62 PHE QE 1.800 . 6.000 3.884 3.623 4.205 . 0 0 "[ . 1 . 2]" 1
1243 1 55 TRP HB3 1 62 PHE HZ 1.800 . 3.800 3.841 3.826 3.858 0.058 2 0 "[ . 1 . 2]" 1
1244 1 55 TRP HB2 1 62 PHE HZ 1.800 . 6.000 2.860 2.617 2.987 . 0 0 "[ . 1 . 2]" 1
1245 1 55 TRP HD1 1 62 PHE HZ 1.800 . 6.000 3.104 2.614 3.595 . 0 0 "[ . 1 . 2]" 1
1246 1 55 TRP HA 1 63 THR MG 1.800 . 6.000 4.692 4.484 5.332 . 0 0 "[ . 1 . 2]" 1
1247 1 55 TRP HA 1 64 LEU HA 1.800 . 6.000 2.513 2.107 2.948 . 0 0 "[ . 1 . 2]" 1
1248 1 55 TRP HD1 1 85 ALA HA 1.800 . 6.000 3.987 3.695 4.324 . 0 0 "[ . 1 . 2]" 1
1249 1 55 TRP HD1 1 85 ALA MB 1.800 . 3.800 3.389 3.221 3.570 . 0 0 "[ . 1 . 2]" 1
1250 1 55 TRP HZ2 1 85 ALA MB 1.800 . 6.000 5.062 4.580 5.292 . 0 0 "[ . 1 . 2]" 1
1251 1 55 TRP HH2 1 89 ALA HA 1.800 . 4.600 3.734 3.061 4.178 . 0 0 "[ . 1 . 2]" 1
1252 1 55 TRP HH2 1 89 ALA MB 1.800 . 4.600 4.285 3.574 4.604 0.004 11 0 "[ . 1 . 2]" 1
1253 1 55 TRP HZ2 1 89 ALA HA 1.800 . 3.800 3.338 2.863 3.696 . 0 0 "[ . 1 . 2]" 1
1254 1 55 TRP HZ2 1 89 ALA MB 1.800 . 3.000 2.796 2.359 3.016 0.016 10 0 "[ . 1 . 2]" 1
1255 1 55 TRP HA 1 56 ALA MB 1.800 . 6.000 3.943 3.920 3.964 . 0 0 "[ . 1 . 2]" 1
1256 1 55 TRP HD1 1 56 ALA MB 1.800 . 6.000 5.140 4.871 5.283 . 0 0 "[ . 1 . 2]" 1
1257 1 56 ALA MB 1 63 THR HB 1.800 . 4.600 2.225 2.102 2.568 . 0 0 "[ . 1 . 2]" 1
1258 1 56 ALA MB 1 63 THR MG 1.800 . 6.000 3.385 3.249 3.658 . 0 0 "[ . 1 . 2]" 1
1259 1 56 ALA HA 2 22 ALA MB 1.800 . 6.000 4.077 3.958 4.385 . 0 0 "[ . 1 . 2]" 1
1260 1 56 ALA HA 2 24 TRP HA 1.800 . 3.800 2.918 2.813 3.044 . 0 0 "[ . 1 . 2]" 1
1261 1 56 ALA HA 2 24 TRP HE3 1.800 . 6.000 4.292 4.212 4.410 . 0 0 "[ . 1 . 2]" 1
1262 1 56 ALA MB 2 24 TRP HZ3 1.800 . 6.000 3.754 3.618 3.916 . 0 0 "[ . 1 . 2]" 1
1263 1 56 ALA HA 2 25 VAL MG2 1.800 . 3.800 3.428 3.135 3.568 . 0 0 "[ . 1 . 2]" 1
1264 1 57 ALA HA 1 62 PHE HA 1.800 . 6.000 2.806 2.697 2.962 . 0 0 "[ . 1 . 2]" 1
1265 1 57 ALA HA 1 62 PHE QD 1.800 . 4.600 2.997 2.639 3.215 . 0 0 "[ . 1 . 2]" 1
1266 1 57 ALA HA 1 62 PHE QE 1.800 . 6.000 3.958 3.599 4.165 . 0 0 "[ . 1 . 2]" 1
1267 1 57 ALA MB 1 62 PHE HA 1.800 . 6.000 4.168 4.003 4.337 . 0 0 "[ . 1 . 2]" 1
1268 1 57 ALA MB 1 62 PHE QD 1.800 . 3.800 2.896 2.711 3.138 . 0 0 "[ . 1 . 2]" 1
1269 1 57 ALA MB 1 62 PHE QE 1.800 . 6.000 2.628 2.255 2.977 . 0 0 "[ . 1 . 2]" 1
1270 1 57 ALA MB 1 81 GLY HA3 1.800 . 3.800 3.583 3.269 3.814 0.014 10 0 "[ . 1 . 2]" 1
1271 1 57 ALA MB 1 82 GLU HA 1.800 . 3.800 3.773 3.626 3.824 0.024 7 0 "[ . 1 . 2]" 1
1272 1 58 SER HA 1 59 PRO HD3 1.800 . 3.800 2.348 2.155 2.761 . 0 0 "[ . 1 . 2]" 1
1273 1 58 SER HA 1 59 PRO HD2 1.800 . 6.000 2.925 2.531 3.162 . 0 0 "[ . 1 . 2]" 1
1274 1 58 SER QB 2 22 ALA MB 1.800 . 6.000 2.883 2.348 3.418 . 0 0 "[ . 1 . 2]" 1
1275 1 61 SER HA 1 77 GLN HA 1.800 . 4.600 2.265 2.169 2.417 . 0 0 "[ . 1 . 2]" 1
1276 1 61 SER HA 1 78 THR MG 1.800 . 4.600 2.724 2.474 3.062 . 0 0 "[ . 1 . 2]" 1
1277 1 62 PHE HA 1 62 PHE QD 1.800 . 3.000 2.994 2.904 3.027 0.027 17 0 "[ . 1 . 2]" 1
1278 1 62 PHE HA 1 62 PHE QE 1.800 . 6.000 4.677 4.629 4.708 . 0 0 "[ . 1 . 2]" 1
1279 1 62 PHE QD 1 64 LEU MD1 1.800 . 4.600 3.583 2.096 4.230 . 0 0 "[ . 1 . 2]" 1
1280 1 62 PHE QD 1 64 LEU HG 1.800 . 6.000 4.299 2.686 5.129 . 0 0 "[ . 1 . 2]" 1
1281 1 62 PHE QE 1 64 LEU HA 1.800 . 6.000 4.122 3.402 4.936 . 0 0 "[ . 1 . 2]" 1
1282 1 62 PHE QE 1 64 LEU MD1 1.800 . 6.000 2.815 2.384 2.953 . 0 0 "[ . 1 . 2]" 1
1283 1 62 PHE QE 1 64 LEU MD2 1.800 . 6.000 3.132 2.128 4.513 . 0 0 "[ . 1 . 2]" 1
1284 1 62 PHE QE 1 64 LEU HG 1.800 . 6.000 3.217 2.093 4.598 . 0 0 "[ . 1 . 2]" 1
1285 1 62 PHE HZ 1 64 LEU MD1 1.800 . 4.600 4.603 4.447 4.653 0.053 15 0 "[ . 1 . 2]" 1
1286 1 62 PHE QD 1 76 VAL QG 1.800 . 6.000 3.549 3.393 3.750 . 0 0 "[ . 1 . 2]" 1
1287 1 62 PHE HB3 1 78 THR MG 1.800 . 4.600 3.243 2.981 3.414 . 0 0 "[ . 1 . 2]" 1
1288 1 62 PHE QD 1 81 GLY HA3 1.800 . 6.000 3.825 3.555 4.132 . 0 0 "[ . 1 . 2]" 1
1289 1 62 PHE QD 1 81 GLY HA2 1.800 . 6.000 3.208 3.050 3.298 . 0 0 "[ . 1 . 2]" 1
1290 1 62 PHE QD 1 82 GLU HA 1.800 . 6.000 5.939 5.761 6.027 0.027 2 0 "[ . 1 . 2]" 1
1291 1 62 PHE QE 1 82 GLU HA 1.800 . 6.000 5.789 5.473 5.955 . 0 0 "[ . 1 . 2]" 1
1292 1 62 PHE QD 1 84 ILE HG13 1.800 . 6.000 5.651 5.546 5.739 . 0 0 "[ . 1 . 2]" 1
1293 1 62 PHE QD 1 84 ILE MG 1.800 . 6.000 3.733 3.612 3.883 . 0 0 "[ . 1 . 2]" 1
1294 1 62 PHE QE 1 84 ILE HB 1.800 . 6.000 3.624 3.595 3.702 . 0 0 "[ . 1 . 2]" 1
1295 1 62 PHE QE 1 84 ILE HG13 1.800 . 6.000 6.036 6.026 6.056 0.056 17 0 "[ . 1 . 2]" 1
1296 1 62 PHE QE 1 84 ILE MG 1.800 . 3.800 3.205 3.078 3.378 . 0 0 "[ . 1 . 2]" 1
1297 1 62 PHE HZ 1 84 ILE MG 1.800 . 6.000 3.457 3.219 3.584 . 0 0 "[ . 1 . 2]" 1
1298 1 62 PHE QD 1 85 ALA HA 1.800 . 6.000 5.039 4.788 5.306 . 0 0 "[ . 1 . 2]" 1
1299 1 62 PHE QD 1 85 ALA MB 1.800 . 6.000 3.814 3.548 4.031 . 0 0 "[ . 1 . 2]" 1
1300 1 62 PHE QE 1 85 ALA MB 1.800 . 4.600 2.376 2.238 2.492 . 0 0 "[ . 1 . 2]" 1
1301 1 62 PHE HZ 1 85 ALA HA 1.800 . 4.600 3.559 3.259 3.766 . 0 0 "[ . 1 . 2]" 1
1302 1 62 PHE HZ 1 85 ALA MB 1.800 . 4.600 4.090 3.738 4.293 . 0 0 "[ . 1 . 2]" 1
1303 1 62 PHE QD 1 88 ILE MD 1.800 . 6.000 4.465 4.386 4.555 . 0 0 "[ . 1 . 2]" 1
1304 1 62 PHE QE 1 88 ILE MD 1.800 . 3.800 3.035 2.949 3.132 . 0 0 "[ . 1 . 2]" 1
1305 1 62 PHE QE 1 88 ILE MG 1.800 . 6.000 4.959 4.831 5.093 . 0 0 "[ . 1 . 2]" 1
1306 1 62 PHE HZ 1 88 ILE MD 1.800 . 3.800 2.347 2.233 2.531 . 0 0 "[ . 1 . 2]" 1
1307 1 62 PHE HZ 1 88 ILE MG 1.800 . 6.000 4.347 4.152 4.654 . 0 0 "[ . 1 . 2]" 1
1308 1 63 THR HA 1 64 LEU QB 1.800 . 6.000 4.175 3.914 4.512 . 0 0 "[ . 1 . 2]" 1
1309 1 63 THR MG 1 64 LEU HA 1.800 . 6.000 3.847 3.635 4.157 . 0 0 "[ . 1 . 2]" 1
1310 1 63 THR MG 1 73 TYR HB2 1.800 . 4.600 4.657 4.203 5.189 0.589 1 1 "[+ . 1 . 2]" 1
1311 1 63 THR MG 1 73 TYR QD 1.800 . 6.000 4.407 4.247 4.582 . 0 0 "[ . 1 . 2]" 1
1312 1 63 THR MG 1 73 TYR QE 1.800 . 6.000 5.677 5.492 5.845 . 0 0 "[ . 1 . 2]" 1
1313 1 63 THR HA 1 75 SER HA 1.800 . 3.800 2.687 2.471 2.861 . 0 0 "[ . 1 . 2]" 1
1314 1 63 THR MG 1 75 SER HA 1.800 . 4.600 3.480 3.085 3.760 . 0 0 "[ . 1 . 2]" 1
1315 1 63 THR MG 1 75 SER HB3 1.800 . 4.600 3.503 2.215 4.631 0.031 20 0 "[ . 1 . 2]" 1
1316 1 64 LEU QB 1 66 PHE QE 1.800 . 6.000 4.061 3.054 5.189 . 0 0 "[ . 1 . 2]" 1
1317 1 64 LEU MD1 1 66 PHE QD 1.800 . 6.000 4.688 4.060 5.826 . 0 0 "[ . 1 . 2]" 1
1318 1 64 LEU MD2 1 66 PHE QE 1.800 . 4.600 3.602 2.718 4.608 0.008 18 0 "[ . 1 . 2]" 1
1319 1 64 LEU HG 1 74 TYR QD 1.800 . 4.600 3.965 3.130 4.620 0.020 8 0 "[ . 1 . 2]" 1
1320 1 65 ASP HA 1 65 ASP HB2 1.800 . 3.000 2.558 2.509 2.604 . 0 0 "[ . 1 . 2]" 1
1321 1 65 ASP HA 1 66 PHE QD 1.800 . 6.000 3.947 3.745 4.175 . 0 0 "[ . 1 . 2]" 1
1322 1 65 ASP HA 1 73 TYR HA 1.800 . 4.600 4.270 3.769 4.609 0.009 9 0 "[ . 1 . 2]" 1
1323 1 65 ASP HA 1 73 TYR QD 1.800 . 6.000 3.344 3.230 3.491 . 0 0 "[ . 1 . 2]" 1
1324 1 65 ASP HA 1 73 TYR QE 1.800 . 6.000 4.669 4.488 4.817 . 0 0 "[ . 1 . 2]" 1
1325 1 65 ASP HB2 1 73 TYR QD 1.800 . 6.000 3.681 2.864 4.418 . 0 0 "[ . 1 . 2]" 1
1326 1 47 TRP HB2 1 66 PHE QE 1.800 . 3.800 2.815 2.580 3.024 . 0 0 "[ . 1 . 2]" 1
1327 1 66 PHE HA 1 66 PHE QD 1.800 . 3.800 2.768 2.686 2.869 . 0 0 "[ . 1 . 2]" 1
1328 1 66 PHE HA 1 66 PHE QE 1.800 . 6.000 4.634 4.593 4.681 . 0 0 "[ . 1 . 2]" 1
1329 1 66 PHE HB3 1 69 TYR QD 1.800 . 6.000 4.406 4.062 4.843 . 0 0 "[ . 1 . 2]" 1
1330 1 66 PHE HB2 1 69 TYR QB 1.800 . 3.800 3.123 2.616 3.775 . 0 0 "[ . 1 . 2]" 1
1331 1 66 PHE QD 1 69 TYR QB 1.800 . 6.000 3.773 3.539 3.988 . 0 0 "[ . 1 . 2]" 1
1332 1 66 PHE QD 1 70 GLN HB3 1.800 . 6.000 3.202 2.426 4.863 . 0 0 "[ . 1 . 2]" 1
1333 1 66 PHE QD 1 70 GLN HB2 1.800 . 6.000 3.084 2.428 5.300 . 0 0 "[ . 1 . 2]" 1
1334 1 66 PHE QD 1 70 GLN QG 1.800 . 3.800 3.516 2.627 3.820 0.020 15 0 "[ . 1 . 2]" 1
1335 1 66 PHE QD 1 73 TYR HA 1.800 . 6.000 4.656 4.427 4.999 . 0 0 "[ . 1 . 2]" 1
1336 1 66 PHE QE 1 74 TYR HA 1.800 . 6.000 5.239 4.994 5.706 . 0 0 "[ . 1 . 2]" 1
1337 1 66 PHE QE 1 74 TYR HB3 1.800 . 6.000 3.055 2.693 3.357 . 0 0 "[ . 1 . 2]" 1
1338 1 66 PHE QE 1 74 TYR HB2 1.800 . 6.000 2.793 2.515 3.497 . 0 0 "[ . 1 . 2]" 1
1339 1 66 PHE HZ 1 74 TYR QD 1.800 . 6.000 4.176 3.490 4.593 . 0 0 "[ . 1 . 2]" 1
1340 1 68 ASP HA 1 68 ASP HB3 1.800 . 3.000 2.782 2.533 3.033 0.033 13 0 "[ . 1 . 2]" 1
1341 1 47 TRP HD1 1 69 TYR QB 1.800 . 6.000 3.969 3.365 4.844 . 0 0 "[ . 1 . 2]" 1
1342 1 69 TYR HA 1 69 TYR QD 1.800 . 3.800 2.998 2.921 3.091 . 0 0 "[ . 1 . 2]" 1
1343 1 69 TYR HA 1 69 TYR QE 1.800 . 6.000 4.610 4.521 4.632 . 0 0 "[ . 1 . 2]" 1
1344 1 69 TYR QD 1 70 GLN HB2 1.800 . 6.000 3.589 2.722 4.569 . 0 0 "[ . 1 . 2]" 1
1345 1 69 TYR QD 1 70 GLN QG 1.800 . 6.000 4.115 2.184 5.160 . 0 0 "[ . 1 . 2]" 1
1346 1 70 GLN HA 1 70 GLN QG 1.800 . 3.800 2.644 2.358 3.385 . 0 0 "[ . 1 . 2]" 1
1347 1 73 TYR HA 1 73 TYR QD 1.800 . 3.800 2.781 2.682 2.900 . 0 0 "[ . 1 . 2]" 1
1348 1 73 TYR HA 1 73 TYR QE 1.800 . 6.000 4.691 4.639 4.763 . 0 0 "[ . 1 . 2]" 1
1349 1 47 TRP HH2 1 74 TYR QE 1.800 . 6.000 3.384 2.890 4.391 . 0 0 "[ . 1 . 2]" 1
1350 1 66 PHE HZ 1 74 TYR HB2 1.800 . 4.600 4.740 4.368 5.220 0.620 18 1 "[ . 1 . + 2]" 1
1351 1 74 TYR HA 1 74 TYR QD 1.800 . 3.800 2.424 2.241 2.672 . 0 0 "[ . 1 . 2]" 1
1352 1 74 TYR HA 1 74 TYR QE 1.800 . 6.000 4.517 4.428 4.643 . 0 0 "[ . 1 . 2]" 1
1353 1 75 SER HA 1 76 VAL HA 1.800 . 6.000 4.483 4.471 4.501 . 0 0 "[ . 1 . 2]" 1
1354 1 75 SER HA 1 76 VAL QG 1.800 . 6.000 3.455 3.299 3.777 . 0 0 "[ . 1 . 2]" 1
1355 1 76 VAL HA 1 76 VAL HB 1.800 . 3.000 2.533 2.498 2.566 . 0 0 "[ . 1 . 2]" 1
1356 1 76 VAL HA 1 76 VAL QG 1.800 . 3.800 2.243 2.220 2.273 . 0 0 "[ . 1 . 2]" 1
1357 1 76 VAL QG 1 77 GLN HA 1.800 . 6.000 4.143 3.750 4.351 . 0 0 "[ . 1 . 2]" 1
1358 1 61 SER HB3 1 77 GLN HA 1.800 . 6.000 3.779 2.916 4.691 . 0 0 "[ . 1 . 2]" 1
1359 1 61 SER HB2 1 77 GLN HA 1.800 . 6.000 3.669 3.248 4.573 . 0 0 "[ . 1 . 2]" 1
1360 1 76 VAL QG 1 78 THR HB 1.800 . 6.000 3.347 3.023 3.517 . 0 0 "[ . 1 . 2]" 1
1361 1 78 THR HA 1 79 THR MG 1.800 . 6.000 4.459 3.781 5.451 . 0 0 "[ . 1 . 2]" 1
1362 1 78 THR MG 1 81 GLY HA2 1.800 . 4.600 2.260 2.136 2.435 . 0 0 "[ . 1 . 2]" 1
1363 1 78 THR HB 1 84 ILE HG13 1.800 . 6.000 5.695 5.526 5.846 . 0 0 "[ . 1 . 2]" 1
1364 1 78 THR MG 1 84 ILE HG13 1.800 . 6.000 4.741 4.357 5.191 . 0 0 "[ . 1 . 2]" 1
1365 1 9 PHE QD 1 80 GLU HA 1.800 . 6.000 6.016 5.980 6.068 0.068 20 0 "[ . 1 . 2]" 1
1366 1 9 PHE QE 1 80 GLU HB3 1.800 . 4.600 4.034 3.665 5.318 0.718 20 1 "[ . 1 . +]" 1
1367 1 9 PHE QE 1 80 GLU HB2 1.800 . 6.000 3.530 3.075 4.318 . 0 0 "[ . 1 . 2]" 1
1368 1 80 GLU HA 1 83 GLN HB2 1.800 . 6.000 4.393 4.280 4.515 . 0 0 "[ . 1 . 2]" 1
1369 1 80 GLU HB2 1 84 ILE HG13 1.800 . 6.000 3.773 3.442 4.397 . 0 0 "[ . 1 . 2]" 1
1370 1 62 PHE HB3 1 81 GLY HA3 1.800 . 6.000 6.225 5.978 6.525 0.525 9 2 "[ - . +1 . 2]" 1
1371 1 78 THR MG 1 81 GLY HA3 1.800 . 3.800 2.647 2.389 2.892 . 0 0 "[ . 1 . 2]" 1
1372 1 81 GLY HA3 1 84 ILE HB 1.800 . 6.000 4.805 4.531 5.027 . 0 0 "[ . 1 . 2]" 1
1373 1 81 GLY HA2 1 84 ILE HG13 1.800 . 6.000 3.987 3.702 4.253 . 0 0 "[ . 1 . 2]" 1
1374 1 82 GLU HA 1 85 ALA MB 1.800 . 4.600 2.967 2.909 3.097 . 0 0 "[ . 1 . 2]" 1
1375 1 9 PHE QE 1 83 GLN HA 1.800 . 6.000 5.263 4.918 5.470 . 0 0 "[ . 1 . 2]" 1
1376 1 9 PHE QE 1 83 GLN HB3 1.800 . 3.800 2.901 2.465 3.275 . 0 0 "[ . 1 . 2]" 1
1377 1 9 PHE QE 1 83 GLN HB2 1.800 . 4.600 3.141 2.841 3.346 . 0 0 "[ . 1 . 2]" 1
1378 1 9 PHE QE 1 83 GLN HG2 1.800 . 6.000 4.181 3.699 5.159 . 0 0 "[ . 1 . 2]" 1
1379 1 9 PHE QE 1 84 ILE HA 1.800 . 3.800 3.821 3.807 3.837 0.037 15 0 "[ . 1 . 2]" 1
1380 1 55 TRP HD1 1 84 ILE MG 1.800 . 6.000 5.712 5.380 6.010 0.010 7 0 "[ . 1 . 2]" 1
1381 1 81 GLY HA3 1 84 ILE HG13 1.800 . 6.000 5.600 5.360 5.823 . 0 0 "[ . 1 . 2]" 1
1382 1 84 ILE HA 1 84 ILE MG 1.800 . 3.800 2.434 2.426 2.449 . 0 0 "[ . 1 . 2]" 1
1383 1 84 ILE HG13 1 84 ILE MG 1.800 . 3.800 3.221 3.218 3.225 . 0 0 "[ . 1 . 2]" 1
1384 1 84 ILE HG12 1 84 ILE MG 1.800 . 4.600 2.370 2.356 2.385 . 0 0 "[ . 1 . 2]" 1
1385 1 84 ILE MG 1 85 ALA HA 1.800 . 6.000 3.548 3.515 3.574 . 0 0 "[ . 1 . 2]" 1
1386 1 84 ILE MG 1 85 ALA MB 1.800 . 6.000 4.178 4.129 4.214 . 0 0 "[ . 1 . 2]" 1
1387 1 84 ILE HA 1 87 LEU MD1 1.800 . 6.000 4.679 4.618 4.789 . 0 0 "[ . 1 . 2]" 1
1388 1 84 ILE HA 1 87 LEU MD2 1.800 . 6.000 3.681 3.656 3.718 . 0 0 "[ . 1 . 2]" 1
1389 1 84 ILE HG12 1 87 LEU MD2 1.800 . 4.600 4.607 4.573 4.620 0.020 11 0 "[ . 1 . 2]" 1
1390 1 84 ILE MG 1 87 LEU MD1 1.800 . 6.000 5.603 5.529 5.704 . 0 0 "[ . 1 . 2]" 1
1391 1 84 ILE MG 1 87 LEU MD2 1.800 . 4.600 4.038 3.964 4.117 . 0 0 "[ . 1 . 2]" 1
1392 1 84 ILE MG 1 88 ILE MD 1.800 . 3.800 2.112 2.041 2.181 . 0 0 "[ . 1 . 2]" 1
1393 1 84 ILE MG 1 88 ILE HG13 1.800 . 6.000 3.064 2.998 3.124 . 0 0 "[ . 1 . 2]" 1
1394 1 84 ILE MG 1 88 ILE HG12 1.800 . 6.000 3.893 3.822 3.948 . 0 0 "[ . 1 . 2]" 1
1395 1 85 ALA HA 1 86 GLN HA 1.800 . 6.000 4.805 4.802 4.814 . 0 0 "[ . 1 . 2]" 1
1396 1 86 GLN HA 1 89 ALA MB 1.800 . 3.800 2.778 2.683 2.836 . 0 0 "[ . 1 . 2]" 1
1397 1 87 LEU HA 1 87 LEU HB3 1.800 . 3.000 3.003 3.000 3.008 0.008 3 0 "[ . 1 . 2]" 1
1398 1 87 LEU HA 1 87 LEU MD1 1.800 . 3.800 2.249 2.218 2.291 . 0 0 "[ . 1 . 2]" 1
1399 1 87 LEU HA 1 87 LEU MD2 1.800 . 3.800 3.857 3.847 3.866 0.066 3 0 "[ . 1 . 2]" 1
1400 1 87 LEU HA 1 87 LEU HG 1.800 . 3.800 2.657 2.609 2.698 . 0 0 "[ . 1 . 2]" 1
1401 1 87 LEU HA 1 91 TYR QE 1.800 . 6.000 4.834 4.769 4.891 . 0 0 "[ . 1 . 2]" 1
1402 1 55 TRP HH2 1 88 ILE MG 1.800 . 4.600 3.840 3.352 4.293 . 0 0 "[ . 1 . 2]" 1
1403 1 55 TRP HZ2 1 88 ILE MG 1.800 . 6.000 4.000 3.556 4.433 . 0 0 "[ . 1 . 2]" 1
1404 1 62 PHE HZ 1 88 ILE HB 1.800 . 4.600 4.458 4.253 4.617 0.017 5 0 "[ . 1 . 2]" 1
1405 1 85 ALA HA 1 88 ILE HB 1.800 . 6.000 3.411 3.276 3.486 . 0 0 "[ . 1 . 2]" 1
1406 1 88 ILE HB 1 88 ILE MD 1.800 . 3.000 2.331 2.324 2.340 . 0 0 "[ . 1 . 2]" 1
1407 1 88 ILE MD 1 88 ILE MG 1.800 . 3.000 2.153 2.136 2.166 . 0 0 "[ . 1 . 2]" 1
1408 1 88 ILE HG12 1 88 ILE MG 1.800 . 3.800 2.322 2.317 2.328 . 0 0 "[ . 1 . 2]" 1
1409 1 88 ILE MG 1 89 ALA HA 1.800 . 6.000 3.595 3.559 3.612 . 0 0 "[ . 1 . 2]" 1
1410 1 88 ILE MG 1 89 ALA MB 1.800 . 6.000 4.229 4.191 4.260 . 0 0 "[ . 1 . 2]" 1
1411 1 88 ILE HA 1 91 TYR QE 1.800 . 6.000 4.262 4.030 4.383 . 0 0 "[ . 1 . 2]" 1
1412 1 90 GLY QA 1 93 ASP HB3 1.800 . 3.000 3.088 3.020 3.205 0.205 1 0 "[ . 1 . 2]" 1
1413 1 28 ILE HB 1 91 TYR QE 1.800 . 6.000 3.884 3.555 4.122 . 0 0 "[ . 1 . 2]" 1
1414 1 28 ILE MG 1 91 TYR QE 1.800 . 3.800 2.419 2.301 2.628 . 0 0 "[ . 1 . 2]" 1
1415 1 29 THR HA 1 91 TYR QE 1.800 . 6.000 4.066 3.838 4.255 . 0 0 "[ . 1 . 2]" 1
1416 1 30 LYS HA 1 91 TYR QE 1.800 . 4.600 3.518 3.243 3.775 . 0 0 "[ . 1 . 2]" 1
1417 1 49 LEU MD1 1 91 TYR QD 1.800 . 4.600 3.010 2.781 3.343 . 0 0 "[ . 1 . 2]" 1
1418 1 49 LEU MD2 1 91 TYR QD 1.800 . 6.000 3.541 3.261 3.875 . 0 0 "[ . 1 . 2]" 1
1419 1 49 LEU MD1 1 91 TYR QE 1.800 . 6.000 4.657 4.431 5.035 . 0 0 "[ . 1 . 2]" 1
1420 1 87 LEU HA 1 91 TYR QD 1.800 . 6.000 5.080 5.010 5.122 . 0 0 "[ . 1 . 2]" 1
1421 1 87 LEU MD1 1 91 TYR QD 1.800 . 6.000 4.906 4.836 4.983 . 0 0 "[ . 1 . 2]" 1
1422 1 87 LEU MD2 1 91 TYR QD 1.800 . 6.000 4.097 4.006 4.194 . 0 0 "[ . 1 . 2]" 1
1423 1 87 LEU HG 1 91 TYR QD 1.800 . 6.000 3.900 3.819 3.990 . 0 0 "[ . 1 . 2]" 1
1424 1 87 LEU HB2 1 91 TYR QE 1.800 . 6.000 5.099 5.034 5.175 . 0 0 "[ . 1 . 2]" 1
1425 1 87 LEU MD1 1 91 TYR QE 1.800 . 6.000 3.765 3.717 3.819 . 0 0 "[ . 1 . 2]" 1
1426 1 87 LEU MD2 1 91 TYR QE 1.800 . 3.800 2.439 2.307 2.552 . 0 0 "[ . 1 . 2]" 1
1427 1 87 LEU HG 1 91 TYR QE 1.800 . 4.600 2.705 2.560 2.779 . 0 0 "[ . 1 . 2]" 1
1428 1 91 TYR HA 1 91 TYR QD 1.800 . 3.800 2.080 2.053 2.116 . 0 0 "[ . 1 . 2]" 1
1429 1 91 TYR HA 1 91 TYR QE 1.800 . 6.000 4.400 4.388 4.420 . 0 0 "[ . 1 . 2]" 1
1430 1 91 TYR QD 1 94 ILE MD 1.800 . 3.000 2.436 2.406 2.477 . 0 0 "[ . 1 . 2]" 1
1431 1 91 TYR QD 1 94 ILE HG13 1.800 . 6.000 4.778 4.718 4.852 . 0 0 "[ . 1 . 2]" 1
1432 1 91 TYR QE 1 94 ILE MD 1.800 . 3.800 3.837 3.823 3.851 0.051 17 0 "[ . 1 . 2]" 1
1433 1 49 LEU HG 1 92 ILE HG13 1.800 . 6.000 3.490 3.189 4.728 . 0 0 "[ . 1 . 2]" 1
1434 1 55 TRP HH2 1 92 ILE HB 1.800 . 6.000 4.494 4.077 4.861 . 0 0 "[ . 1 . 2]" 1
1435 1 55 TRP HH2 1 92 ILE MD 1.800 . 3.800 2.352 2.189 3.811 0.011 11 0 "[ . 1 . 2]" 1
1436 1 55 TRP HH2 1 92 ILE HG12 1.800 . 6.000 4.902 3.863 5.208 . 0 0 "[ . 1 . 2]" 1
1437 1 55 TRP HZ3 1 92 ILE HG12 1.800 . 6.000 5.246 4.770 5.613 . 0 0 "[ . 1 . 2]" 1
1438 1 55 TRP HZ3 1 92 ILE MG 1.800 . 6.000 4.856 4.534 5.312 . 0 0 "[ . 1 . 2]" 1
1439 1 88 ILE MG 1 92 ILE HG13 1.800 . 6.000 3.234 3.160 3.460 . 0 0 "[ . 1 . 2]" 1
1440 1 89 ALA HA 1 92 ILE HB 1.800 . 4.600 3.321 3.205 3.406 . 0 0 "[ . 1 . 2]" 1
1441 1 89 ALA HA 1 92 ILE HG12 1.800 . 6.000 5.045 3.490 5.221 . 0 0 "[ . 1 . 2]" 1
1442 1 89 ALA HA 1 92 ILE MG 1.800 . 6.000 4.598 4.480 4.688 . 0 0 "[ . 1 . 2]" 1
1443 1 92 ILE MG 1 93 ASP HA 1.800 . 6.000 3.668 3.626 3.699 . 0 0 "[ . 1 . 2]" 1
1444 1 92 ILE HA 1 95 ILE HB 1.800 . 3.800 3.174 3.056 3.279 . 0 0 "[ . 1 . 2]" 1
1445 1 92 ILE HG12 2 28 PRO HD2 1.800 . 6.000 5.136 4.514 5.874 . 0 0 "[ . 1 . 2]" 1
1446 1 92 ILE MG 2 28 PRO HB2 1.800 . 6.000 4.621 4.037 5.066 . 0 0 "[ . 1 . 2]" 1
1447 1 92 ILE MG 2 28 PRO HG3 1.800 . 4.600 3.668 2.830 4.835 0.235 3 0 "[ . 1 . 2]" 1
1448 1 92 ILE HA 2 29 LEU QD 1.800 . 6.000 3.775 3.544 4.083 . 0 0 "[ . 1 . 2]" 1
1449 1 90 GLY QA 1 93 ASP HB2 1.800 . 6.000 3.192 3.026 3.352 . 0 0 "[ . 1 . 2]" 1
1450 1 93 ASP HA 1 96 LEU QB 1.800 . 3.000 2.937 2.836 3.015 0.015 18 0 "[ . 1 . 2]" 1
1451 1 93 ASP HA 1 96 LEU MD2 1.800 . 6.000 4.995 4.576 5.477 . 0 0 "[ . 1 . 2]" 1
1452 1 91 TYR HA 1 94 ILE MD 1.800 . 3.000 2.205 2.188 2.223 . 0 0 "[ . 1 . 2]" 1
1453 1 91 TYR HA 1 94 ILE HG13 1.800 . 6.000 3.659 3.594 3.725 . 0 0 "[ . 1 . 2]" 1
1454 1 94 ILE HA 1 94 ILE MD 1.800 . 4.600 3.937 3.926 3.948 . 0 0 "[ . 1 . 2]" 1
1455 1 94 ILE HA 1 94 ILE HG13 1.800 . 3.800 2.852 2.818 2.878 . 0 0 "[ . 1 . 2]" 1
1456 1 94 ILE HA 1 94 ILE HG12 1.800 . 3.800 2.779 2.766 2.802 . 0 0 "[ . 1 . 2]" 1
1457 1 94 ILE HA 1 94 ILE MG 1.800 . 3.000 2.430 2.419 2.441 . 0 0 "[ . 1 . 2]" 1
1458 1 94 ILE HA 1 97 LYS HB2 1.800 . 3.800 3.464 2.346 3.908 0.108 12 0 "[ . 1 . 2]" 1
1459 1 50 THR MG 1 95 ILE MG 1.800 . 3.000 3.032 3.013 3.050 0.050 1 0 "[ . 1 . 2]" 1
1460 1 95 ILE HA 1 95 ILE HB 1.800 . 3.000 3.034 3.029 3.037 0.037 12 0 "[ . 1 . 2]" 1
1461 1 95 ILE HA 1 95 ILE HG12 1.800 . 3.000 2.867 2.730 3.051 0.051 11 0 "[ . 1 . 2]" 1
1462 1 95 ILE HA 1 95 ILE MG 1.800 . 3.000 2.430 2.416 2.450 . 0 0 "[ . 1 . 2]" 1
1463 1 95 ILE MG 1 96 LEU HA 1.800 . 6.000 3.569 3.523 3.600 . 0 0 "[ . 1 . 2]" 1
1464 1 95 ILE HA 1 98 LYS QD 1.800 . 6.000 4.023 3.068 5.528 . 0 0 "[ . 1 . 2]" 1
1465 1 95 ILE HA 1 98 LYS QG 1.800 . 6.000 3.846 3.345 4.233 . 0 0 "[ . 1 . 2]" 1
1466 1 96 LEU HA 1 96 LEU MD2 1.800 . 3.000 2.177 2.129 2.231 . 0 0 "[ . 1 . 2]" 1
1467 1 96 LEU MD2 2 29 LEU HA 1.800 . 3.800 2.963 2.526 3.317 . 0 0 "[ . 1 . 2]" 1
1468 1 97 LYS HA 1 97 LYS QD 1.800 . 4.600 3.676 2.262 4.200 . 0 0 "[ . 1 . 2]" 1
1469 1 97 LYS HA 1 97 LYS QG 1.800 . 3.800 2.431 2.341 2.759 . 0 0 "[ . 1 . 2]" 1
1470 1 99 LYS HA 1 99 LYS QG 1.800 . 6.000 2.666 2.381 3.369 . 0 0 "[ . 1 . 2]" 1
1471 1 100 LYS HA 1 100 LYS QD 1.800 . 4.600 3.719 2.258 4.298 . 0 0 "[ . 1 . 2]" 1
1472 1 21 LEU MD1 2 11 GLU HB2 1.800 . 4.600 4.532 4.233 4.630 0.030 18 0 "[ . 1 . 2]" 1
1473 1 21 LEU MD1 2 11 GLU QG 1.800 . 6.000 2.277 2.059 2.495 . 0 0 "[ . 1 . 2]" 1
1474 1 14 LYS HA 2 12 PHE QE 1.800 . 6.000 4.797 4.138 5.276 . 0 0 "[ . 1 . 2]" 1
1475 1 14 LYS QB 2 12 PHE QE 1.800 . 4.600 3.294 2.228 4.467 . 0 0 "[ . 1 . 2]" 1
1476 1 14 LYS QD 2 12 PHE QE 1.800 . 4.600 3.205 2.342 3.983 . 0 0 "[ . 1 . 2]" 1
1477 1 14 LYS QG 2 12 PHE QE 1.800 . 3.800 3.339 2.325 3.840 0.040 12 0 "[ . 1 . 2]" 1
1478 1 19 ASN HA 2 12 PHE QD 1.800 . 4.600 4.290 3.921 4.647 0.047 20 0 "[ . 1 . 2]" 1
1479 1 19 ASN HB2 2 12 PHE QD 1.800 . 6.000 4.657 3.053 5.608 . 0 0 "[ . 1 . 2]" 1
1480 1 19 ASN HB3 2 12 PHE QD 1.800 . 4.600 3.781 3.015 4.883 0.283 19 0 "[ . 1 . 2]" 1
1481 1 19 ASN HA 2 12 PHE QE 1.800 . 4.600 3.042 2.600 3.726 . 0 0 "[ . 1 . 2]" 1
1482 1 19 ASN HB2 2 12 PHE QE 1.800 . 6.000 4.622 3.053 5.691 . 0 0 "[ . 1 . 2]" 1
1483 1 19 ASN HB3 2 12 PHE QE 1.800 . 6.000 3.574 3.001 4.215 . 0 0 "[ . 1 . 2]" 1
1484 1 20 LYS HA 2 12 PHE QD 1.800 . 3.800 3.827 3.802 3.853 0.053 12 0 "[ . 1 . 2]" 1
1485 1 20 LYS HA 2 12 PHE QE 1.800 . 6.000 4.691 4.328 4.896 . 0 0 "[ . 1 . 2]" 1
1486 1 21 LEU MD1 2 12 PHE HA 1.800 . 4.600 3.913 3.617 4.265 . 0 0 "[ . 1 . 2]" 1
1487 1 21 LEU HA 2 12 PHE QD 1.800 . 6.000 5.933 5.718 6.031 0.031 9 0 "[ . 1 . 2]" 1
1488 1 21 LEU MD1 2 12 PHE QD 1.800 . 6.000 4.393 4.207 4.812 . 0 0 "[ . 1 . 2]" 1
1489 1 21 LEU MD2 2 12 PHE QD 1.800 . 4.600 4.419 4.160 4.592 . 0 0 "[ . 1 . 2]" 1
1490 1 21 LEU MD1 2 12 PHE QE 1.800 . 6.000 5.399 5.148 5.829 . 0 0 "[ . 1 . 2]" 1
1491 1 21 LEU MD2 2 12 PHE QE 1.800 . 4.600 4.387 4.067 4.605 0.005 9 0 "[ . 1 . 2]" 1
1492 2 12 PHE QD 2 13 ALA HA 1.800 . 4.600 3.670 3.582 3.729 . 0 0 "[ . 1 . 2]" 1
1493 2 12 PHE HA 2 15 PHE HB2 1.800 . 4.600 3.642 3.419 3.894 . 0 0 "[ . 1 . 2]" 1
1494 1 21 LEU MD1 2 15 PHE QD 1.800 . 6.000 3.839 3.194 4.563 . 0 0 "[ . 1 . 2]" 1
1495 1 21 LEU MD2 2 15 PHE QD 1.800 . 6.000 3.801 3.438 4.151 . 0 0 "[ . 1 . 2]" 1
1496 1 61 SER HA 2 15 PHE QD 1.800 . 6.000 4.525 4.073 4.847 . 0 0 "[ . 1 . 2]" 1
1497 1 61 SER HB3 2 15 PHE QD 1.800 . 6.000 3.776 2.450 4.913 . 0 0 "[ . 1 . 2]" 1
1498 1 61 SER HB2 2 15 PHE QD 1.800 . 4.600 3.664 2.630 4.615 0.015 6 0 "[ . 1 . 2]" 1
1499 1 75 SER HB2 2 15 PHE QD 1.800 . 6.000 5.739 4.951 6.883 0.883 18 2 "[ . - 1 . + 2]" 1
1500 1 75 SER HB2 2 15 PHE QE 1.800 . 4.600 4.023 3.462 5.282 0.682 18 2 "[ . - 1 . + 2]" 1
1501 1 76 VAL HA 2 15 PHE QD 1.800 . 6.000 4.995 4.621 5.290 . 0 0 "[ . 1 . 2]" 1
1502 1 76 VAL HA 2 15 PHE QE 1.800 . 6.000 2.757 2.349 3.162 . 0 0 "[ . 1 . 2]" 1
1503 1 77 GLN HB2 2 15 PHE HA 1.800 . 6.000 5.485 5.111 5.909 . 0 0 "[ . 1 . 2]" 1
1504 1 77 GLN HA 2 15 PHE QD 1.800 . 6.000 3.445 3.147 3.671 . 0 0 "[ . 1 . 2]" 1
1505 1 77 GLN HB3 2 15 PHE QD 1.800 . 6.000 4.331 4.088 4.666 . 0 0 "[ . 1 . 2]" 1
1506 1 77 GLN HB2 2 15 PHE QD 1.800 . 3.800 2.655 2.356 3.060 . 0 0 "[ . 1 . 2]" 1
1507 1 77 GLN HA 2 15 PHE QE 1.800 . 6.000 3.357 2.833 3.707 . 0 0 "[ . 1 . 2]" 1
1508 2 12 PHE QD 2 16 GLU QG 1.800 . 4.600 4.619 4.569 4.651 0.051 2 0 "[ . 1 . 2]" 1
1509 2 15 PHE QD 2 16 GLU QG 1.800 . 4.600 4.264 3.984 4.646 0.046 5 0 "[ . 1 . 2]" 1
1510 1 56 ALA MB 2 22 ALA MB 1.800 . 3.800 2.170 2.054 2.486 . 0 0 "[ . 1 . 2]" 1
1511 1 58 SER QB 2 22 ALA HA 1.800 . 4.600 4.401 3.871 4.502 . 0 0 "[ . 1 . 2]" 1
1512 1 58 SER HA 2 22 ALA MB 1.800 . 6.000 3.682 2.674 4.143 . 0 0 "[ . 1 . 2]" 1
1513 1 54 ARG QD 2 24 TRP HE3 1.800 . 6.000 2.903 2.783 3.116 . 0 0 "[ . 1 . 2]" 1
1514 1 54 ARG QG 2 24 TRP HE3 1.800 . 6.000 2.940 2.753 3.582 . 0 0 "[ . 1 . 2]" 1
1515 1 55 TRP HA 2 24 TRP HE3 1.800 . 6.000 3.300 3.118 3.569 . 0 0 "[ . 1 . 2]" 1
1516 1 55 TRP HA 2 24 TRP HZ3 1.800 . 4.600 2.324 2.266 2.559 . 0 0 "[ . 1 . 2]" 1
1517 1 56 ALA MB 2 24 TRP HA 1.800 . 3.800 2.567 2.308 2.751 . 0 0 "[ . 1 . 2]" 1
1518 1 56 ALA MB 2 24 TRP HE3 1.800 . 4.600 3.240 3.138 3.335 . 0 0 "[ . 1 . 2]" 1
1519 1 63 THR MG 2 24 TRP HH2 1.800 . 3.800 2.416 2.194 2.830 . 0 0 "[ . 1 . 2]" 1
1520 1 63 THR MG 2 24 TRP HZ3 1.800 . 6.000 3.875 3.574 4.539 . 0 0 "[ . 1 . 2]" 1
1521 1 64 LEU HA 2 24 TRP HE3 1.800 . 6.000 5.320 4.485 6.015 0.015 8 0 "[ . 1 . 2]" 1
1522 1 73 TYR QD 2 24 TRP HH2 1.800 . 4.600 4.394 3.956 4.602 0.002 2 0 "[ . 1 . 2]" 1
1523 1 73 TYR QE 2 24 TRP HH2 1.800 . 6.000 5.231 4.818 5.672 . 0 0 "[ . 1 . 2]" 1
1524 2 22 ALA MB 2 24 TRP HA 1.800 . 6.000 5.000 4.900 5.157 . 0 0 "[ . 1 . 2]" 1
1525 1 55 TRP HD1 2 25 VAL HB 1.800 . 6.000 4.005 3.743 4.211 . 0 0 "[ . 1 . 2]" 1
1526 1 55 TRP HD1 2 25 VAL MG2 1.800 . 6.000 4.106 3.858 4.321 . 0 0 "[ . 1 . 2]" 1
1527 1 52 ILE HB 2 27 SER QB 1.800 . 6.000 4.861 4.359 6.029 0.029 3 0 "[ . 1 . 2]" 1
1528 1 55 TRP HH2 2 27 SER HA 1.800 . 3.800 3.313 2.965 3.696 . 0 0 "[ . 1 . 2]" 1
1529 1 55 TRP HZ3 2 27 SER HA 1.800 . 6.000 4.165 3.308 4.518 . 0 0 "[ . 1 . 2]" 1
1530 1 55 TRP HE3 2 27 SER QB 1.800 . 4.600 4.417 3.996 4.648 0.048 7 0 "[ . 1 . 2]" 1
1531 1 55 TRP HH2 2 27 SER QB 1.800 . 4.600 2.763 2.276 4.057 . 0 0 "[ . 1 . 2]" 1
1532 1 55 TRP HZ3 2 27 SER QB 1.800 . 4.600 2.274 2.155 2.941 . 0 0 "[ . 1 . 2]" 1
1533 1 55 TRP HH2 2 28 PRO HD2 1.800 . 6.000 4.450 3.826 5.037 . 0 0 "[ . 1 . 2]" 1
1534 1 55 TRP HH2 2 28 PRO QG 1.800 . 6.000 5.701 4.769 6.009 0.009 11 0 "[ . 1 . 2]" 1
1535 1 50 THR HA 2 29 LEU HB3 1.800 . 6.000 5.096 4.869 5.429 . 0 0 "[ . 1 . 2]" 1
1536 1 50 THR HA 2 29 LEU HB2 1.800 . 6.000 5.031 4.861 5.261 . 0 0 "[ . 1 . 2]" 1
1537 1 50 THR HA 2 29 LEU QD 1.800 . 3.000 2.355 2.239 2.537 . 0 0 "[ . 1 . 2]" 1
1538 1 50 THR HB 2 29 LEU QD 1.800 . 3.800 2.832 2.337 3.126 . 0 0 "[ . 1 . 2]" 1
1539 1 50 THR MG 2 29 LEU QD 1.800 . 3.800 2.364 2.080 2.605 . 0 0 "[ . 1 . 2]" 1
1540 1 53 LYS HA 2 30 HIS HB3 1.800 . 6.000 5.758 5.570 6.004 0.004 4 0 "[ . 1 . 2]" 1
1541 1 53 LYS HA 2 30 HIS HB2 1.800 . 6.000 5.245 4.690 5.893 . 0 0 "[ . 1 . 2]" 1
1542 1 53 LYS HA 2 30 HIS HD2 1.800 . 4.600 3.494 2.679 4.667 0.067 2 0 "[ . 1 . 2]" 1
1543 1 48 SER H 1 51 ASN HD21 1.800 . 3.000 2.863 2.352 3.014 0.014 16 0 "[ . 1 . 2]" 1
1544 1 61 SER H 2 18 GLU QB 1.800 . 6.000 4.067 3.716 4.488 . 0 0 "[ . 1 . 2]" 1
1545 1 53 LYS H 1 65 ASP H 1.800 . 4.600 4.599 4.490 4.633 0.033 9 0 "[ . 1 . 2]" 1
1546 1 64 LEU H 1 65 ASP H 1.800 . 6.000 4.428 4.365 4.500 . 0 0 "[ . 1 . 2]" 1
1547 1 76 VAL H 1 77 GLN H 1.800 . 6.000 4.438 4.413 4.466 . 0 0 "[ . 1 . 2]" 1
1548 1 77 GLN HE22 2 11 GLU HB2 1.800 . 6.000 5.087 4.617 5.521 . 0 0 "[ . 1 . 2]" 1
1549 1 77 GLN HE22 2 11 GLU QG 1.800 . 4.600 2.292 2.054 2.694 . 0 0 "[ . 1 . 2]" 1
1550 1 85 ALA H 1 87 LEU H 1.800 . 6.000 4.156 4.134 4.174 . 0 0 "[ . 1 . 2]" 1
1551 1 86 GLN H 1 88 ILE H 1.800 . 6.000 4.382 4.347 4.426 . 0 0 "[ . 1 . 2]" 1
1552 1 94 ILE H 1 95 ILE H 1.800 . 4.600 2.657 2.634 2.676 . 0 0 "[ . 1 . 2]" 1
1553 1 96 LEU H 2 29 LEU QD 1.800 . 4.600 4.353 3.984 4.474 . 0 0 "[ . 1 . 2]" 1
1554 2 2 LEU H 2 2 LEU MD1 1.800 . 4.600 3.848 2.524 4.373 . 0 0 "[ . 1 . 2]" 1
1555 2 2 LEU H 2 2 LEU MD2 1.800 . 4.600 3.679 2.557 4.473 . 0 0 "[ . 1 . 2]" 1
1556 2 2 LEU H 2 2 LEU QB 1.800 . 3.800 2.400 2.300 2.572 . 0 0 "[ . 1 . 2]" 1
1557 2 3 LEU H 2 3 LEU MD1 1.800 . 4.600 3.877 3.482 4.342 . 0 0 "[ . 1 . 2]" 1
1558 2 3 LEU H 2 3 LEU MD2 1.800 . 6.000 3.445 2.272 4.030 . 0 0 "[ . 1 . 2]" 1
1559 2 3 LEU H 2 3 LEU HG 1.800 . 3.000 2.809 2.483 3.011 0.011 4 0 "[ . 1 . 2]" 1
1560 2 3 LEU H 2 3 LEU QB 1.800 . 3.800 2.720 2.413 3.376 . 0 0 "[ . 1 . 2]" 1
1561 2 3 LEU QB 2 4 ILE H 1.800 . 6.000 2.906 2.355 3.620 . 0 0 "[ . 1 . 2]" 1
1562 2 3 LEU MD2 2 4 ILE H 1.800 . 6.000 4.199 3.428 5.061 . 0 0 "[ . 1 . 2]" 1
1563 2 3 LEU HG 2 4 ILE H 1.800 . 6.000 4.751 4.431 5.142 . 0 0 "[ . 1 . 2]" 1
1564 2 4 ILE HA 2 4 ILE MD 1.800 . 4.600 3.579 2.263 4.226 . 0 0 "[ . 1 . 2]" 1
1565 2 4 ILE H 2 4 ILE HA 1.800 . 3.000 2.745 2.257 2.965 . 0 0 "[ . 1 . 2]" 1
1566 2 4 ILE HB 2 4 ILE MD 1.800 . 3.800 2.568 2.258 3.274 . 0 0 "[ . 1 . 2]" 1
1567 2 4 ILE HB 2 4 ILE HG12 1.800 . 3.000 2.867 2.440 3.031 0.031 11 0 "[ . 1 . 2]" 1
1568 2 4 ILE H 2 4 ILE HB 1.800 . 3.800 3.233 2.650 3.831 0.031 12 0 "[ . 1 . 2]" 1
1569 2 4 ILE HB 2 4 ILE HG13 1.800 . 3.000 2.583 2.476 2.993 . 0 0 "[ . 1 . 2]" 1
1570 2 4 ILE H 2 4 ILE HG13 1.800 . 4.600 3.013 2.373 4.479 . 0 0 "[ . 1 . 2]" 1
1571 2 4 ILE H 2 4 ILE HG12 1.800 . 4.600 3.320 2.401 4.289 . 0 0 "[ . 1 . 2]" 1
1572 2 4 ILE H 2 4 ILE MD 1.800 . 6.000 3.552 2.270 4.316 . 0 0 "[ . 1 . 2]" 1
1573 2 4 ILE H 2 4 ILE MG 1.800 . 6.000 3.806 3.226 4.055 . 0 0 "[ . 1 . 2]" 1
1574 2 4 ILE HA 2 5 THR MG 1.800 . 4.600 3.854 3.503 4.157 . 0 0 "[ . 1 . 2]" 1
1575 2 4 ILE HA 2 5 THR H 1.800 . 3.000 2.199 2.158 2.271 . 0 0 "[ . 1 . 2]" 1
1576 2 4 ILE HB 2 5 THR H 1.800 . 4.600 3.998 2.831 4.455 . 0 0 "[ . 1 . 2]" 1
1577 2 4 ILE MG 2 5 THR H 1.800 . 4.600 3.127 2.560 3.635 . 0 0 "[ . 1 . 2]" 1
1578 2 4 ILE HA 2 7 HIS QB 1.800 . 6.000 5.137 3.768 5.839 . 0 0 "[ . 1 . 2]" 1
1579 2 4 ILE MG 2 7 HIS QB 1.800 . 6.000 3.663 2.364 5.498 . 0 0 "[ . 1 . 2]" 1
1580 2 4 ILE MG 2 8 ASP QB 1.800 . 4.600 2.762 2.128 3.589 . 0 0 "[ . 1 . 2]" 1
1581 2 4 ILE H 2 5 THR H 1.800 . 6.000 4.172 3.489 4.504 . 0 0 "[ . 1 . 2]" 1
1582 2 5 THR HA 2 6 ILE H 1.800 . 3.000 2.569 2.189 2.923 . 0 0 "[ . 1 . 2]" 1
1583 2 5 THR MG 2 6 ILE H 1.800 . 6.000 3.993 3.243 4.463 . 0 0 "[ . 1 . 2]" 1
1584 2 5 THR H 2 6 ILE H 1.800 . 6.000 3.546 2.528 4.581 . 0 0 "[ . 1 . 2]" 1
1585 2 6 ILE HA 2 6 ILE HB 1.800 . 3.000 2.828 2.452 3.037 0.037 9 0 "[ . 1 . 2]" 1
1586 2 6 ILE HB 2 6 ILE HG13 1.800 . 3.000 2.628 2.567 3.027 0.027 1 0 "[ . 1 . 2]" 1
1587 2 6 ILE H 2 6 ILE HG12 1.800 . 4.600 3.573 2.447 5.203 0.603 1 1 "[+ . 1 . 2]" 1
1588 2 6 ILE HA 2 7 HIS H 1.800 . 6.000 2.945 2.287 3.626 . 0 0 "[ . 1 . 2]" 1
1589 2 6 ILE H 2 7 HIS H 1.800 . 3.800 3.115 1.978 3.852 0.052 2 0 "[ . 1 . 2]" 1
1590 2 6 ILE HA 2 9 ARG HD3 1.800 . 6.000 5.049 3.344 5.851 . 0 0 "[ . 1 . 2]" 1
1591 2 6 ILE HB 2 7 HIS H 1.800 . 6.000 3.779 2.260 4.654 . 0 0 "[ . 1 . 2]" 1
1592 2 7 HIS HA 2 8 ASP H 1.800 . 4.600 3.523 2.286 3.608 . 0 0 "[ . 1 . 2]" 1
1593 2 7 HIS QB 2 8 ASP H 1.800 . 4.600 2.639 2.369 3.515 . 0 0 "[ . 1 . 2]" 1
1594 2 7 HIS HA 2 10 LYS QB 1.800 . 3.000 3.032 3.009 3.097 0.097 9 0 "[ . 1 . 2]" 1
1595 2 5 THR H 2 8 ASP QB 1.800 . 6.000 5.196 4.308 5.813 . 0 0 "[ . 1 . 2]" 1
1596 2 8 ASP H 2 8 ASP QB 1.800 . 3.800 2.344 2.226 3.182 . 0 0 "[ . 1 . 2]" 1
1597 2 8 ASP HA 2 9 ARG H 1.800 . 3.800 3.562 3.533 3.598 . 0 0 "[ . 1 . 2]" 1
1598 2 8 ASP QB 2 9 ARG H 1.800 . 3.800 2.731 2.584 2.827 . 0 0 "[ . 1 . 2]" 1
1599 2 8 ASP HA 2 11 GLU HB3 1.800 . 4.600 3.283 3.111 3.540 . 0 0 "[ . 1 . 2]" 1
1600 2 8 ASP HA 2 11 GLU HB2 1.800 . 4.600 3.815 3.557 4.162 . 0 0 "[ . 1 . 2]" 1
1601 2 8 ASP HA 2 11 GLU QG 1.800 . 6.000 5.021 4.538 5.269 . 0 0 "[ . 1 . 2]" 1
1602 2 8 ASP HA 2 11 GLU H 1.800 . 4.600 3.729 3.596 3.877 . 0 0 "[ . 1 . 2]" 1
1603 2 6 ILE HA 2 9 ARG HB3 1.800 . 4.600 4.095 3.711 4.664 0.064 4 0 "[ . 1 . 2]" 1
1604 2 6 ILE HA 2 9 ARG HB2 1.800 . 4.600 4.109 2.838 4.616 0.016 14 0 "[ . 1 . 2]" 1
1605 2 6 ILE HA 2 9 ARG HD2 1.800 . 6.000 5.388 3.223 6.038 0.038 20 0 "[ . 1 . 2]" 1
1606 2 6 ILE HA 2 9 ARG H 1.800 . 4.600 4.076 3.707 4.679 0.079 9 0 "[ . 1 . 2]" 1
1607 2 9 ARG HA 2 9 ARG HG2 1.800 . 3.000 2.825 2.469 2.960 . 0 0 "[ . 1 . 2]" 1
1608 2 9 ARG H 2 9 ARG HG2 1.800 . 4.600 4.278 2.349 4.590 . 0 0 "[ . 1 . 2]" 1
1609 2 9 ARG H 2 9 ARG HG3 1.800 . 4.600 3.904 2.497 4.397 . 0 0 "[ . 1 . 2]" 1
1610 2 9 ARG HA 2 10 LYS H 1.800 . 4.600 3.566 3.540 3.584 . 0 0 "[ . 1 . 2]" 1
1611 2 9 ARG HB3 2 10 LYS H 1.800 . 4.600 3.026 2.652 3.703 . 0 0 "[ . 1 . 2]" 1
1612 2 9 ARG HB2 2 10 LYS H 1.800 . 4.600 3.517 2.676 3.874 . 0 0 "[ . 1 . 2]" 1
1613 2 9 ARG HA 2 12 PHE HB3 1.800 . 4.600 3.538 3.316 3.732 . 0 0 "[ . 1 . 2]" 1
1614 2 9 ARG HA 2 12 PHE HB2 1.800 . 4.600 4.048 3.897 4.224 . 0 0 "[ . 1 . 2]" 1
1615 2 9 ARG HA 2 12 PHE QD 1.800 . 6.000 5.332 5.135 5.502 . 0 0 "[ . 1 . 2]" 1
1616 2 9 ARG HA 2 13 ALA H 1.800 . 4.600 4.079 3.896 4.200 . 0 0 "[ . 1 . 2]" 1
1617 2 10 LYS HA 2 10 LYS QD 1.800 . 4.600 3.388 2.216 4.106 . 0 0 "[ . 1 . 2]" 1
1618 2 10 LYS HA 2 10 LYS QG 1.800 . 3.000 2.483 2.231 2.894 . 0 0 "[ . 1 . 2]" 1
1619 2 10 LYS H 2 10 LYS HA 1.800 . 3.000 2.864 2.847 2.882 . 0 0 "[ . 1 . 2]" 1
1620 2 10 LYS H 2 10 LYS QD 1.800 . 4.600 4.045 3.571 4.465 . 0 0 "[ . 1 . 2]" 1
1621 2 10 LYS H 2 10 LYS QB 1.800 . 3.000 2.289 2.181 2.441 . 0 0 "[ . 1 . 2]" 1
1622 2 10 LYS H 2 10 LYS QG 1.800 . 4.600 3.062 2.310 4.095 . 0 0 "[ . 1 . 2]" 1
1623 2 10 LYS HA 2 11 GLU H 1.800 . 4.600 3.567 3.553 3.575 . 0 0 "[ . 1 . 2]" 1
1624 2 10 LYS QB 2 11 GLU H 1.800 . 3.000 2.736 2.642 2.815 . 0 0 "[ . 1 . 2]" 1
1625 2 10 LYS QG 2 11 GLU H 1.800 . 6.000 4.249 4.055 4.441 . 0 0 "[ . 1 . 2]" 1
1626 2 10 LYS H 2 11 GLU H 1.800 . 3.000 2.625 2.569 2.675 . 0 0 "[ . 1 . 2]" 1
1627 2 10 LYS HA 2 13 ALA MB 1.800 . 6.000 2.797 2.685 2.924 . 0 0 "[ . 1 . 2]" 1
1628 2 10 LYS HA 2 13 ALA H 1.800 . 6.000 3.719 3.654 3.864 . 0 0 "[ . 1 . 2]" 1
1629 2 10 LYS HA 2 14 LYS H 1.800 . 6.000 4.159 4.049 4.281 . 0 0 "[ . 1 . 2]" 1
1630 2 11 GLU HA 2 11 GLU HB3 1.800 . 3.000 3.022 3.018 3.026 0.026 6 0 "[ . 1 . 2]" 1
1631 2 11 GLU HA 2 11 GLU HB2 1.800 . 3.000 2.574 2.534 2.601 . 0 0 "[ . 1 . 2]" 1
1632 2 11 GLU HA 2 11 GLU QG 1.800 . 3.000 2.399 2.310 2.696 . 0 0 "[ . 1 . 2]" 1
1633 2 11 GLU H 2 11 GLU HA 1.800 . 3.000 2.858 2.850 2.873 . 0 0 "[ . 1 . 2]" 1
1634 2 11 GLU H 2 11 GLU HB3 1.800 . 3.000 2.734 2.658 2.775 . 0 0 "[ . 1 . 2]" 1
1635 2 11 GLU H 2 11 GLU HB2 1.800 . 3.000 2.393 2.353 2.445 . 0 0 "[ . 1 . 2]" 1
1636 2 11 GLU H 2 11 GLU QG 1.800 . 4.600 4.010 3.974 4.101 . 0 0 "[ . 1 . 2]" 1
1637 2 11 GLU HA 2 12 PHE H 1.800 . 3.800 3.586 3.576 3.598 . 0 0 "[ . 1 . 2]" 1
1638 2 11 GLU HB3 2 12 PHE H 1.800 . 6.000 2.657 2.602 2.705 . 0 0 "[ . 1 . 2]" 1
1639 2 11 GLU HB2 2 12 PHE H 1.800 . 3.800 3.792 3.724 3.844 0.044 6 0 "[ . 1 . 2]" 1
1640 2 11 GLU QG 2 12 PHE H 1.800 . 4.600 3.979 3.905 4.036 . 0 0 "[ . 1 . 2]" 1
1641 2 11 GLU HA 2 14 LYS QB 1.800 . 4.600 3.297 3.123 3.444 . 0 0 "[ . 1 . 2]" 1
1642 2 11 GLU HA 2 14 LYS H 1.800 . 4.600 3.864 3.728 3.951 . 0 0 "[ . 1 . 2]" 1
1643 2 11 GLU H 2 12 PHE HB2 1.800 . 6.000 4.850 4.779 4.898 . 0 0 "[ . 1 . 2]" 1
1644 2 12 PHE HA 2 12 PHE QE 1.800 . 4.600 4.615 4.607 4.628 0.028 16 0 "[ . 1 . 2]" 1
1645 2 12 PHE H 2 12 PHE HB3 1.800 . 3.000 2.837 2.786 2.878 . 0 0 "[ . 1 . 2]" 1
1646 2 12 PHE HB2 2 12 PHE QE 1.800 . 4.600 4.447 4.439 4.456 . 0 0 "[ . 1 . 2]" 1
1647 2 12 PHE H 2 12 PHE HB2 1.800 . 3.000 2.359 2.340 2.386 . 0 0 "[ . 1 . 2]" 1
1648 2 12 PHE H 2 12 PHE QD 1.800 . 4.600 4.180 4.160 4.200 . 0 0 "[ . 1 . 2]" 1
1649 2 12 PHE HA 2 13 ALA H 1.800 . 4.600 3.560 3.550 3.573 . 0 0 "[ . 1 . 2]" 1
1650 2 12 PHE HB3 2 13 ALA H 1.800 . 4.600 2.861 2.781 2.935 . 0 0 "[ . 1 . 2]" 1
1651 2 12 PHE HB2 2 13 ALA H 1.800 . 3.800 3.822 3.737 3.885 0.085 10 0 "[ . 1 . 2]" 1
1652 2 12 PHE QD 2 13 ALA MB 1.800 . 4.600 4.582 4.487 4.643 0.043 14 0 "[ . 1 . 2]" 1
1653 2 12 PHE QD 2 13 ALA H 1.800 . 4.600 4.142 4.052 4.202 . 0 0 "[ . 1 . 2]" 1
1654 2 12 PHE H 2 13 ALA H 1.800 . 3.000 2.613 2.576 2.650 . 0 0 "[ . 1 . 2]" 1
1655 2 12 PHE HA 2 15 PHE HB3 1.800 . 4.600 2.628 2.444 2.783 . 0 0 "[ . 1 . 2]" 1
1656 2 12 PHE HA 2 15 PHE QD 1.800 . 4.600 4.013 3.748 4.303 . 0 0 "[ . 1 . 2]" 1
1657 2 12 PHE HA 2 15 PHE H 1.800 . 4.600 3.527 3.470 3.618 . 0 0 "[ . 1 . 2]" 1
1658 2 12 PHE QE 2 16 GLU HB2 1.800 . 3.800 3.480 3.307 3.686 . 0 0 "[ . 1 . 2]" 1
1659 2 12 PHE QE 2 16 GLU QG 1.800 . 3.800 3.737 3.551 3.830 0.030 1 0 "[ . 1 . 2]" 1
1660 2 12 PHE QE 2 13 ALA HA 1.800 . 6.000 5.645 5.533 5.720 . 0 0 "[ . 1 . 2]" 1
1661 2 13 ALA H 2 13 ALA MB 1.800 . 3.000 2.263 2.259 2.266 . 0 0 "[ . 1 . 2]" 1
1662 2 13 ALA HA 2 14 LYS H 1.800 . 4.600 3.582 3.563 3.598 . 0 0 "[ . 1 . 2]" 1
1663 2 13 ALA MB 2 14 LYS H 1.800 . 4.600 2.586 2.497 2.671 . 0 0 "[ . 1 . 2]" 1
1664 2 13 ALA H 2 14 LYS H 1.800 . 4.600 2.729 2.684 2.794 . 0 0 "[ . 1 . 2]" 1
1665 2 13 ALA HA 2 16 GLU HB2 1.800 . 6.000 4.308 3.992 4.548 . 0 0 "[ . 1 . 2]" 1
1666 2 13 ALA HA 2 16 GLU HB3 1.800 . 3.800 3.653 3.320 3.812 0.012 6 0 "[ . 1 . 2]" 1
1667 2 13 ALA HA 2 16 GLU H 1.800 . 6.000 3.821 3.695 3.939 . 0 0 "[ . 1 . 2]" 1
1668 2 11 GLU HA 2 14 LYS QG 1.800 . 4.600 4.341 3.765 4.657 0.057 12 0 "[ . 1 . 2]" 1
1669 2 14 LYS HA 2 14 LYS HD3 1.800 . 4.600 3.518 2.295 4.529 . 0 0 "[ . 1 . 2]" 1
1670 2 14 LYS HA 2 14 LYS HD2 1.800 . 4.600 3.644 2.252 4.651 0.051 9 0 "[ . 1 . 2]" 1
1671 2 14 LYS HA 2 14 LYS QG 1.800 . 3.800 2.602 2.369 2.908 . 0 0 "[ . 1 . 2]" 1
1672 2 14 LYS H 2 14 LYS HD3 1.800 . 6.000 4.589 3.808 4.956 . 0 0 "[ . 1 . 2]" 1
1673 2 14 LYS H 2 14 LYS HD2 1.800 . 4.600 4.420 3.703 4.992 0.392 6 0 "[ . 1 . 2]" 1
1674 2 14 LYS H 2 14 LYS QB 1.800 . 3.000 2.345 2.234 2.461 . 0 0 "[ . 1 . 2]" 1
1675 2 14 LYS H 2 14 LYS QG 1.800 . 4.600 2.874 2.284 4.086 . 0 0 "[ . 1 . 2]" 1
1676 2 14 LYS HA 2 15 PHE H 1.800 . 4.600 3.541 3.526 3.554 . 0 0 "[ . 1 . 2]" 1
1677 2 14 LYS QB 2 15 PHE H 1.800 . 3.800 2.814 2.715 2.880 . 0 0 "[ . 1 . 2]" 1
1678 2 14 LYS HA 2 17 GLU QG 1.800 . 4.600 3.923 2.045 4.404 . 0 0 "[ . 1 . 2]" 1
1679 2 14 LYS HA 2 17 GLU H 1.800 . 4.600 3.594 3.412 3.743 . 0 0 "[ . 1 . 2]" 1
1680 2 14 LYS HA 2 18 GLU H 1.800 . 3.800 3.811 3.716 3.862 0.062 13 0 "[ . 1 . 2]" 1
1681 1 76 VAL H 2 15 PHE QD 1.800 . 6.000 5.896 5.497 6.028 0.028 16 0 "[ . 1 . 2]" 1
1682 1 76 VAL H 2 15 PHE QE 1.800 . 6.000 3.897 3.471 4.124 . 0 0 "[ . 1 . 2]" 1
1683 2 12 PHE QE 2 15 PHE QD 1.800 . 6.000 4.376 4.049 4.665 . 0 0 "[ . 1 . 2]" 1
1684 2 15 PHE HA 2 15 PHE QD 1.800 . 3.000 3.004 2.956 3.031 0.031 2 0 "[ . 1 . 2]" 1
1685 2 15 PHE HA 2 15 PHE QE 1.800 . 6.000 4.877 4.830 4.937 . 0 0 "[ . 1 . 2]" 1
1686 2 15 PHE H 2 15 PHE QD 1.800 . 4.600 4.189 4.127 4.219 . 0 0 "[ . 1 . 2]" 1
1687 2 15 PHE HA 2 16 GLU H 1.800 . 6.000 3.584 3.574 3.597 . 0 0 "[ . 1 . 2]" 1
1688 2 15 PHE HB3 2 16 GLU H 1.800 . 6.000 2.627 2.412 2.758 . 0 0 "[ . 1 . 2]" 1
1689 2 15 PHE HB2 2 16 GLU H 1.800 . 4.600 3.978 3.832 4.061 . 0 0 "[ . 1 . 2]" 1
1690 2 15 PHE QD 2 16 GLU HA 1.800 . 4.600 3.333 3.153 3.420 . 0 0 "[ . 1 . 2]" 1
1691 2 15 PHE QD 2 16 GLU HB2 1.800 . 3.000 3.048 3.020 3.076 0.076 19 0 "[ . 1 . 2]" 1
1692 2 15 PHE QD 2 16 GLU HB3 1.800 . 4.600 4.596 4.548 4.622 0.022 2 0 "[ . 1 . 2]" 1
1693 2 15 PHE QD 2 16 GLU H 1.800 . 4.600 3.097 2.925 3.248 . 0 0 "[ . 1 . 2]" 1
1694 2 15 PHE H 2 16 GLU H 1.800 . 6.000 2.725 2.670 2.766 . 0 0 "[ . 1 . 2]" 1
1695 2 15 PHE HA 2 18 GLU QB 1.800 . 3.800 3.473 3.259 3.667 . 0 0 "[ . 1 . 2]" 1
1696 2 15 PHE HA 2 18 GLU HG3 1.800 . 6.000 4.731 4.293 6.005 0.005 4 0 "[ . 1 . 2]" 1
1697 2 15 PHE QD 2 19 ARG HD3 1.800 . 4.600 4.409 3.722 4.618 0.018 11 0 "[ . 1 . 2]" 1
1698 2 15 PHE QD 2 19 ARG HD2 1.800 . 4.600 4.224 4.052 4.618 0.018 1 0 "[ . 1 . 2]" 1
1699 2 12 PHE QD 2 16 GLU HB2 1.800 . 4.600 3.461 3.104 3.778 . 0 0 "[ . 1 . 2]" 1
1700 2 12 PHE QE 2 16 GLU HB3 1.800 . 4.600 4.610 4.522 4.651 0.051 12 0 "[ . 1 . 2]" 1
1701 2 16 GLU HA 2 16 GLU HB2 1.800 . 3.000 2.583 2.546 2.607 . 0 0 "[ . 1 . 2]" 1
1702 2 16 GLU HA 2 16 GLU QG 1.800 . 3.800 2.453 2.276 2.736 . 0 0 "[ . 1 . 2]" 1
1703 2 16 GLU H 2 16 GLU HB2 1.800 . 3.000 2.384 2.324 2.451 . 0 0 "[ . 1 . 2]" 1
1704 2 16 GLU H 2 16 GLU HB3 1.800 . 3.800 2.731 2.674 2.776 . 0 0 "[ . 1 . 2]" 1
1705 2 16 GLU H 2 16 GLU QG 1.800 . 4.600 4.018 3.954 4.105 . 0 0 "[ . 1 . 2]" 1
1706 2 16 GLU HA 2 17 GLU H 1.800 . 4.600 3.549 3.534 3.588 . 0 0 "[ . 1 . 2]" 1
1707 2 16 GLU HB2 2 17 GLU H 1.800 . 4.600 3.959 3.895 4.024 . 0 0 "[ . 1 . 2]" 1
1708 2 16 GLU HB3 2 17 GLU H 1.800 . 3.000 2.987 2.837 3.032 0.032 16 0 "[ . 1 . 2]" 1
1709 2 16 GLU H 2 17 GLU H 1.800 . 3.800 2.600 2.507 2.706 . 0 0 "[ . 1 . 2]" 1
1710 2 16 GLU H 2 18 GLU H 1.800 . 4.600 4.322 4.216 4.497 . 0 0 "[ . 1 . 2]" 1
1711 2 16 GLU HA 2 19 ARG QB 1.800 . 6.000 3.670 2.294 4.190 . 0 0 "[ . 1 . 2]" 1
1712 2 16 GLU HA 2 19 ARG HE 1.800 . 6.000 5.004 4.178 5.656 . 0 0 "[ . 1 . 2]" 1
1713 2 16 GLU HA 2 19 ARG HG3 1.800 . 4.600 3.590 3.139 4.666 0.066 12 0 "[ . 1 . 2]" 1
1714 2 16 GLU HA 2 19 ARG HG2 1.800 . 4.600 3.527 2.261 4.684 0.084 1 0 "[ . 1 . 2]" 1
1715 2 16 GLU HA 2 19 ARG H 1.800 . 4.600 3.840 3.356 4.086 . 0 0 "[ . 1 . 2]" 1
1716 2 17 GLU HA 2 17 GLU QG 1.800 . 3.800 2.643 2.346 3.376 . 0 0 "[ . 1 . 2]" 1
1717 2 17 GLU H 2 17 GLU QG 1.800 . 4.600 3.048 2.248 4.094 . 0 0 "[ . 1 . 2]" 1
1718 2 17 GLU H 2 17 GLU QB 1.800 . 3.000 2.340 2.264 2.591 . 0 0 "[ . 1 . 2]" 1
1719 2 17 GLU HA 2 18 GLU H 1.800 . 4.600 3.574 3.557 3.595 . 0 0 "[ . 1 . 2]" 1
1720 2 17 GLU QB 2 18 GLU H 1.800 . 4.600 2.851 2.497 3.582 . 0 0 "[ . 1 . 2]" 1
1721 2 17 GLU H 2 18 GLU H 1.800 . 4.600 2.589 2.479 2.731 . 0 0 "[ . 1 . 2]" 1
1722 2 17 GLU HA 2 20 ALA MB 1.800 . 4.600 3.624 3.153 4.294 . 0 0 "[ . 1 . 2]" 1
1723 2 17 GLU HA 2 20 ALA H 1.800 . 4.600 3.899 3.725 4.041 . 0 0 "[ . 1 . 2]" 1
1724 2 18 GLU HA 2 18 GLU HG3 1.800 . 3.800 3.331 2.806 3.784 . 0 0 "[ . 1 . 2]" 1
1725 2 18 GLU H 2 18 GLU HG3 1.800 . 4.600 3.232 2.501 4.541 . 0 0 "[ . 1 . 2]" 1
1726 2 18 GLU H 2 18 GLU HG2 1.800 . 4.600 3.230 2.522 4.641 0.041 4 0 "[ . 1 . 2]" 1
1727 2 18 GLU H 2 18 GLU QB 1.800 . 3.000 2.336 2.243 2.396 . 0 0 "[ . 1 . 2]" 1
1728 2 18 GLU HA 2 19 ARG H 1.800 . 4.600 3.533 3.486 3.572 . 0 0 "[ . 1 . 2]" 1
1729 2 18 GLU QB 2 19 ARG H 1.800 . 3.000 2.927 2.771 3.037 0.037 13 0 "[ . 1 . 2]" 1
1730 2 18 GLU HA 2 21 ARG HB3 1.800 . 6.000 4.606 3.930 5.063 . 0 0 "[ . 1 . 2]" 1
1731 2 18 GLU HA 2 21 ARG HB2 1.800 . 4.600 3.444 2.410 5.091 0.491 16 0 "[ . 1 . 2]" 1
1732 2 18 GLU HA 2 21 ARG QD 1.800 . 4.600 3.651 2.372 4.353 . 0 0 "[ . 1 . 2]" 1
1733 2 18 GLU HA 2 21 ARG H 1.800 . 4.600 3.455 3.255 4.487 . 0 0 "[ . 1 . 2]" 1
1734 2 19 ARG H 2 19 ARG QB 1.800 . 3.000 2.462 2.207 2.606 . 0 0 "[ . 1 . 2]" 1
1735 2 19 ARG HD2 2 19 ARG HG3 1.800 . 3.000 2.695 2.228 3.017 0.017 17 0 "[ . 1 . 2]" 1
1736 2 19 ARG H 2 19 ARG HG2 1.800 . 4.600 3.036 2.170 4.562 . 0 0 "[ . 1 . 2]" 1
1737 2 19 ARG HA 2 20 ALA H 1.800 . 4.600 3.557 3.530 3.590 . 0 0 "[ . 1 . 2]" 1
1738 2 19 ARG H 2 20 ALA MB 1.800 . 6.000 4.474 4.383 4.686 . 0 0 "[ . 1 . 2]" 1
1739 2 19 ARG H 2 20 ALA H 1.800 . 4.600 2.746 2.664 2.848 . 0 0 "[ . 1 . 2]" 1
1740 2 19 ARG HA 2 21 ARG H 1.800 . 4.600 4.333 4.203 4.600 0.000 10 0 "[ . 1 . 2]" 1
1741 2 19 ARG HA 2 22 ALA MB 1.800 . 4.600 3.181 2.807 4.570 . 0 0 "[ . 1 . 2]" 1
1742 2 19 ARG H 2 22 ALA H 1.800 . 6.000 5.865 4.990 6.038 0.038 7 0 "[ . 1 . 2]" 1
1743 2 19 ARG HE 2 20 ALA MB 1.800 . 6.000 5.694 4.734 6.035 0.035 5 0 "[ . 1 . 2]" 1
1744 2 20 ALA H 2 20 ALA MB 1.800 . 3.000 2.283 2.269 2.370 . 0 0 "[ . 1 . 2]" 1
1745 2 20 ALA HA 2 21 ARG H 1.800 . 3.800 3.482 2.617 3.547 . 0 0 "[ . 1 . 2]" 1
1746 2 20 ALA MB 2 21 ARG H 1.800 . 3.800 2.953 2.811 3.755 . 0 0 "[ . 1 . 2]" 1
1747 2 20 ALA H 2 21 ARG H 1.800 . 3.800 2.582 2.486 3.363 . 0 0 "[ . 1 . 2]" 1
1748 2 20 ALA HA 2 22 ALA H 1.800 . 4.600 3.988 3.850 4.564 . 0 0 "[ . 1 . 2]" 1
1749 2 18 GLU HA 2 21 ARG HG3 1.800 . 4.600 3.945 2.317 4.617 0.017 8 0 "[ . 1 . 2]" 1
1750 2 18 GLU HA 2 21 ARG HG2 1.800 . 6.000 4.763 2.196 6.001 0.001 3 0 "[ . 1 . 2]" 1
1751 2 21 ARG HA 2 21 ARG HB2 1.800 . 3.000 2.884 2.440 3.032 0.032 14 0 "[ . 1 . 2]" 1
1752 2 21 ARG H 2 21 ARG HA 1.800 . 3.000 2.938 2.860 2.955 . 0 0 "[ . 1 . 2]" 1
1753 2 21 ARG HB3 2 21 ARG QD 1.800 . 3.800 2.484 2.367 2.892 . 0 0 "[ . 1 . 2]" 1
1754 2 21 ARG HB2 2 21 ARG QD 1.800 . 3.800 2.462 2.377 2.862 . 0 0 "[ . 1 . 2]" 1
1755 2 21 ARG H 2 21 ARG HB2 1.800 . 3.800 2.814 2.401 3.745 . 0 0 "[ . 1 . 2]" 1
1756 2 21 ARG H 2 21 ARG HG3 1.800 . 3.800 2.883 2.495 3.699 . 0 0 "[ . 1 . 2]" 1
1757 2 21 ARG H 2 21 ARG HG2 1.800 . 4.600 3.458 2.160 4.504 . 0 0 "[ . 1 . 2]" 1
1758 2 21 ARG HA 2 22 ALA H 1.800 . 4.600 2.977 2.742 3.596 . 0 0 "[ . 1 . 2]" 1
1759 2 21 ARG HB3 2 22 ALA H 1.800 . 4.600 4.390 3.349 4.677 0.077 7 0 "[ . 1 . 2]" 1
1760 2 21 ARG HB2 2 22 ALA H 1.800 . 4.600 4.085 2.706 4.533 . 0 0 "[ . 1 . 2]" 1
1761 2 21 ARG HG2 2 22 ALA H 1.800 . 6.000 5.073 4.523 5.256 . 0 0 "[ . 1 . 2]" 1
1762 2 21 ARG H 2 22 ALA MB 1.800 . 4.600 4.043 3.731 4.343 . 0 0 "[ . 1 . 2]" 1
1763 2 21 ARG H 2 22 ALA H 1.800 . 3.000 2.912 2.060 3.032 0.032 9 0 "[ . 1 . 2]" 1
1764 1 57 ALA H 2 22 ALA HA 1.800 . 6.000 5.809 5.369 6.009 0.009 8 0 "[ . 1 . 2]" 1
1765 2 19 ARG H 2 22 ALA MB 1.800 . 6.000 5.034 4.850 6.027 0.027 11 0 "[ . 1 . 2]" 1
1766 2 22 ALA H 2 22 ALA MB 1.800 . 3.000 2.366 2.246 2.436 . 0 0 "[ . 1 . 2]" 1
1767 2 22 ALA HA 2 23 LYS QB 1.800 . 4.600 4.457 4.382 4.634 0.034 20 0 "[ . 1 . 2]" 1
1768 2 22 ALA HA 2 23 LYS H 1.800 . 3.000 2.324 2.263 2.398 . 0 0 "[ . 1 . 2]" 1
1769 2 22 ALA MB 2 23 LYS QB 1.800 . 6.000 4.486 4.278 4.753 . 0 0 "[ . 1 . 2]" 1
1770 2 22 ALA MB 2 23 LYS H 1.800 . 3.000 2.633 2.403 2.807 . 0 0 "[ . 1 . 2]" 1
1771 2 22 ALA H 2 23 LYS H 1.800 . 6.000 4.587 4.530 4.676 . 0 0 "[ . 1 . 2]" 1
1772 2 22 ALA MB 2 23 LYS HA 1.800 . 4.600 4.309 4.207 4.380 . 0 0 "[ . 1 . 2]" 1
1773 2 22 ALA MB 2 23 LYS QD 1.800 . 4.600 4.365 4.080 4.670 0.070 20 0 "[ . 1 . 2]" 1
1774 2 23 LYS HA 2 23 LYS QD 1.800 . 4.600 3.372 2.185 4.114 . 0 0 "[ . 1 . 2]" 1
1775 2 23 LYS H 2 23 LYS HG2 1.800 . 4.600 3.387 2.222 4.267 . 0 0 "[ . 1 . 2]" 1
1776 2 23 LYS H 2 23 LYS QD 1.800 . 4.600 2.661 2.231 3.674 . 0 0 "[ . 1 . 2]" 1
1777 2 23 LYS H 2 23 LYS HG3 1.800 . 4.600 3.539 1.976 3.926 . 0 0 "[ . 1 . 2]" 1
1778 2 23 LYS HA 2 24 TRP HB2 1.800 . 6.000 4.477 4.404 4.550 . 0 0 "[ . 1 . 2]" 1
1779 2 23 LYS HA 2 24 TRP HD1 1.800 . 6.000 4.224 4.059 4.485 . 0 0 "[ . 1 . 2]" 1
1780 2 23 LYS HA 2 24 TRP H 1.800 . 3.800 2.229 2.197 2.318 . 0 0 "[ . 1 . 2]" 1
1781 2 23 LYS QB 2 24 TRP H 1.800 . 4.600 3.005 2.664 3.175 . 0 0 "[ . 1 . 2]" 1
1782 2 23 LYS QD 2 24 TRP H 1.800 . 6.000 4.892 3.717 5.487 . 0 0 "[ . 1 . 2]" 1
1783 1 55 TRP H 2 24 TRP HB3 1.800 . 6.000 4.660 4.433 4.906 . 0 0 "[ . 1 . 2]" 1
1784 1 55 TRP H 2 24 TRP HE3 1.800 . 3.000 3.027 3.008 3.044 0.044 7 0 "[ . 1 . 2]" 1
1785 2 24 TRP HA 2 24 TRP HD1 1.800 . 4.600 4.235 4.176 4.290 . 0 0 "[ . 1 . 2]" 1
1786 2 24 TRP HA 2 24 TRP HE3 1.800 . 3.000 2.912 2.831 3.010 0.010 11 0 "[ . 1 . 2]" 1
1787 2 24 TRP HA 2 24 TRP HZ3 1.800 . 6.000 5.021 4.946 5.106 . 0 0 "[ . 1 . 2]" 1
1788 2 24 TRP HB2 2 24 TRP HD1 1.800 . 3.000 2.607 2.587 2.626 . 0 0 "[ . 1 . 2]" 1
1789 2 24 TRP H 2 24 TRP HB2 1.800 . 3.800 2.363 2.328 2.395 . 0 0 "[ . 1 . 2]" 1
1790 2 24 TRP HB3 2 24 TRP HD1 1.800 . 3.800 3.752 3.722 3.775 . 0 0 "[ . 1 . 2]" 1
1791 2 24 TRP HB3 2 24 TRP HE3 1.800 . 3.000 2.745 2.700 2.797 . 0 0 "[ . 1 . 2]" 1
1792 2 24 TRP H 2 24 TRP HD1 1.800 . 4.600 3.184 3.054 3.395 . 0 0 "[ . 1 . 2]" 1
1793 2 24 TRP HA 2 25 VAL HB 1.800 . 4.600 4.641 4.631 4.651 0.051 11 0 "[ . 1 . 2]" 1
1794 2 24 TRP HA 2 25 VAL MG2 1.800 . 4.600 3.425 3.383 3.465 . 0 0 "[ . 1 . 2]" 1
1795 2 24 TRP HA 2 25 VAL H 1.800 . 3.000 2.239 2.210 2.275 . 0 0 "[ . 1 . 2]" 1
1796 2 24 TRP HB2 2 25 VAL H 1.800 . 4.600 4.091 4.030 4.172 . 0 0 "[ . 1 . 2]" 1
1797 2 24 TRP HB3 2 25 VAL H 1.800 . 4.600 2.904 2.793 2.997 . 0 0 "[ . 1 . 2]" 1
1798 2 24 TRP HE3 2 25 VAL H 1.800 . 3.000 2.928 2.736 3.010 0.010 2 0 "[ . 1 . 2]" 1
1799 2 24 TRP HE3 2 25 VAL HB 1.800 . 6.000 5.312 5.143 5.413 . 0 0 "[ . 1 . 2]" 1
1800 2 24 TRP HE3 2 25 VAL MG2 1.800 . 6.000 5.132 5.022 5.218 . 0 0 "[ . 1 . 2]" 1
1801 2 25 VAL HA 2 25 VAL MG2 1.800 . 3.000 2.473 2.468 2.483 . 0 0 "[ . 1 . 2]" 1
1802 2 25 VAL H 2 25 VAL HB 1.800 . 3.000 2.773 2.734 2.843 . 0 0 "[ . 1 . 2]" 1
1803 2 25 VAL H 2 25 VAL MG2 1.800 . 3.800 2.771 2.721 2.854 . 0 0 "[ . 1 . 2]" 1
1804 2 25 VAL HA 2 26 PTR HB2 1.800 . 6.000 5.723 5.700 5.734 . 0 0 "[ . 1 . 2]" 1
1805 2 26 PTR HA 2 27 SER H 1.800 . 3.000 2.328 2.255 2.471 . 0 0 "[ . 1 . 2]" 1
1806 2 26 PTR HB2 2 27 SER H 1.800 . 4.600 2.688 2.399 2.897 . 0 0 "[ . 1 . 2]" 1
1807 2 26 PTR HA 2 31 TYR QE 1.800 . 6.000 4.743 4.368 5.086 . 0 0 "[ . 1 . 2]" 1
1808 2 26 PTR HB2 2 31 TYR QD 1.800 . 6.000 3.234 2.816 4.519 . 0 0 "[ . 1 . 2]" 1
1809 2 26 PTR HB2 2 31 TYR QE 1.800 . 3.800 2.608 2.290 2.911 . 0 0 "[ . 1 . 2]" 1
1810 2 27 SER QB 2 30 HIS HD2 1.800 . 6.000 4.325 2.292 6.052 0.052 2 0 "[ . 1 . 2]" 1
1811 2 27 SER H 2 31 TYR QD 1.800 . 6.000 4.452 4.061 5.580 . 0 0 "[ . 1 . 2]" 1
1812 2 28 PRO HA 2 28 PRO HB3 1.800 . 3.000 2.300 2.272 2.309 . 0 0 "[ . 1 . 2]" 1
1813 2 28 PRO HB3 2 28 PRO HG2 1.800 . 3.000 2.942 2.675 2.995 . 0 0 "[ . 1 . 2]" 1
1814 2 28 PRO HA 2 29 LEU H 1.800 . 3.800 3.417 3.351 3.513 . 0 0 "[ . 1 . 2]" 1
1815 2 28 PRO HB3 2 29 LEU H 1.800 . 4.600 4.527 4.385 4.601 0.001 20 0 "[ . 1 . 2]" 1
1816 2 28 PRO HB2 2 29 LEU H 1.800 . 4.600 3.913 3.264 4.128 . 0 0 "[ . 1 . 2]" 1
1817 2 28 PRO HD3 2 29 LEU H 1.800 . 4.600 4.002 3.923 4.090 . 0 0 "[ . 1 . 2]" 1
1818 2 28 PRO HD2 2 29 LEU H 1.800 . 4.600 2.801 2.663 2.934 . 0 0 "[ . 1 . 2]" 1
1819 2 28 PRO QG 2 29 LEU H 1.800 . 4.600 3.393 2.843 4.083 . 0 0 "[ . 1 . 2]" 1
1820 2 28 PRO HA 2 30 HIS H 1.800 . 4.600 4.162 3.994 4.300 . 0 0 "[ . 1 . 2]" 1
1821 2 28 PRO HA 2 31 TYR QD 1.800 . 4.600 4.314 3.979 4.627 0.027 19 0 "[ . 1 . 2]" 1
1822 2 28 PRO HA 2 31 TYR H 1.800 . 4.600 3.526 3.438 3.586 . 0 0 "[ . 1 . 2]" 1
1823 2 29 LEU HA 2 29 LEU HB3 1.800 . 3.000 2.595 2.490 3.010 0.010 6 0 "[ . 1 . 2]" 1
1824 2 29 LEU HA 2 29 LEU QD 1.800 . 3.000 2.303 2.156 2.777 . 0 0 "[ . 1 . 2]" 1
1825 2 29 LEU H 2 29 LEU HA 1.800 . 3.000 2.857 2.816 2.879 . 0 0 "[ . 1 . 2]" 1
1826 2 29 LEU HB3 2 29 LEU QD 1.800 . 3.000 2.169 2.148 2.214 . 0 0 "[ . 1 . 2]" 1
1827 2 29 LEU HB2 2 29 LEU QD 1.800 . 3.000 2.191 2.143 2.221 . 0 0 "[ . 1 . 2]" 1
1828 2 29 LEU H 2 29 LEU HB2 1.800 . 3.000 2.396 2.289 2.539 . 0 0 "[ . 1 . 2]" 1
1829 2 29 LEU H 2 29 LEU QD 1.800 . 4.600 3.043 2.166 3.648 . 0 0 "[ . 1 . 2]" 1
1830 2 29 LEU HA 2 30 HIS H 1.800 . 3.800 3.560 3.528 3.577 . 0 0 "[ . 1 . 2]" 1
1831 2 29 LEU HB3 2 30 HIS HD2 1.800 . 4.600 4.084 2.317 4.602 0.002 5 0 "[ . 1 . 2]" 1
1832 2 29 LEU HB3 2 30 HIS H 1.800 . 4.600 3.582 2.728 3.831 . 0 0 "[ . 1 . 2]" 1
1833 2 29 LEU HB2 2 30 HIS HD2 1.800 . 3.800 3.479 3.138 3.848 0.048 18 0 "[ . 1 . 2]" 1
1834 2 29 LEU HB2 2 30 HIS H 1.800 . 4.600 2.916 2.699 3.744 . 0 0 "[ . 1 . 2]" 1
1835 2 29 LEU QD 2 30 HIS HD2 1.800 . 4.600 4.213 3.399 4.489 . 0 0 "[ . 1 . 2]" 1
1836 2 29 LEU QD 2 30 HIS H 1.800 . 6.000 4.144 3.942 4.220 . 0 0 "[ . 1 . 2]" 1
1837 2 29 LEU H 2 30 HIS H 1.800 . 3.000 2.631 2.567 2.767 . 0 0 "[ . 1 . 2]" 1
1838 2 30 HIS HA 2 30 HIS HB3 1.800 . 3.000 2.488 2.314 2.654 . 0 0 "[ . 1 . 2]" 1
1839 2 30 HIS H 2 30 HIS HB2 1.800 . 3.800 2.524 2.259 2.893 . 0 0 "[ . 1 . 2]" 1
1840 2 30 HIS HA 2 31 TYR H 1.800 . 4.600 3.596 3.588 3.606 . 0 0 "[ . 1 . 2]" 1
1841 2 30 HIS HB3 2 31 TYR QD 1.800 . 4.600 4.144 3.126 4.697 0.097 2 0 "[ . 1 . 2]" 1
1842 2 30 HIS HB3 2 31 TYR QE 1.800 . 4.600 4.664 3.614 5.049 0.449 20 0 "[ . 1 . 2]" 1
1843 2 30 HIS HB3 2 31 TYR H 1.800 . 4.600 3.596 3.323 3.904 . 0 0 "[ . 1 . 2]" 1
1844 2 30 HIS HB2 2 31 TYR QE 1.800 . 6.000 3.872 3.595 4.044 . 0 0 "[ . 1 . 2]" 1
1845 2 30 HIS H 2 31 TYR H 1.800 . 4.600 2.553 2.468 2.670 . 0 0 "[ . 1 . 2]" 1
1846 2 31 TYR HA 2 31 TYR HB3 1.800 . 3.000 2.512 2.440 2.543 . 0 0 "[ . 1 . 2]" 1
1847 2 31 TYR HA 2 31 TYR HB2 1.800 . 3.000 2.972 2.443 3.032 0.032 8 0 "[ . 1 . 2]" 1
1848 2 31 TYR HA 2 31 TYR QE 1.800 . 6.000 4.787 4.661 5.747 . 0 0 "[ . 1 . 2]" 1
1849 2 31 TYR H 2 31 TYR HB3 1.800 . 3.800 3.602 3.171 3.702 . 0 0 "[ . 1 . 2]" 1
1850 2 31 TYR H 2 31 TYR HB2 1.800 . 3.800 2.582 2.404 3.846 0.046 4 0 "[ . 1 . 2]" 1
1851 2 31 TYR H 2 31 TYR QD 1.800 . 4.600 2.582 2.450 2.706 . 0 0 "[ . 1 . 2]" 1
1852 2 31 TYR HA 2 32 SER H 1.800 . 3.000 2.200 2.171 2.256 . 0 0 "[ . 1 . 2]" 1
1853 2 31 TYR HB3 2 32 SER H 1.800 . 4.600 3.363 2.948 4.078 . 0 0 "[ . 1 . 2]" 1
1854 2 31 TYR HB2 2 32 SER H 1.800 . 4.600 4.124 2.963 4.403 . 0 0 "[ . 1 . 2]" 1
1855 2 32 SER H 2 32 SER QB 1.800 . 3.000 2.695 2.399 3.028 0.028 12 0 "[ . 1 . 2]" 1
1856 2 32 SER HA 2 33 ALA H 1.800 . 4.600 2.842 2.176 3.607 . 0 0 "[ . 1 . 2]" 1
1857 2 32 SER QB 2 33 ALA H 1.800 . 3.800 2.917 2.323 3.745 . 0 0 "[ . 1 . 2]" 1
1858 2 32 SER H 2 33 ALA MB 1.800 . 4.600 4.479 4.077 4.626 0.026 10 0 "[ . 1 . 2]" 1
1859 2 33 ALA H 2 33 ALA MB 1.800 . 3.000 2.595 2.360 2.919 . 0 0 "[ . 1 . 2]" 1
1860 2 33 ALA HA 2 34 ARG H 1.800 . 4.600 2.425 2.168 3.608 . 0 0 "[ . 1 . 2]" 1
1861 2 33 ALA MB 2 34 ARG H 1.800 . 3.800 2.915 2.308 3.468 . 0 0 "[ . 1 . 2]" 1
1862 2 34 ARG HA 2 34 ARG QD 1.800 . 4.600 3.897 2.256 4.508 . 0 0 "[ . 1 . 2]" 1
1863 2 34 ARG HB3 2 34 ARG QD 1.800 . 3.800 2.522 2.305 3.263 . 0 0 "[ . 1 . 2]" 1
1864 2 34 ARG H 2 34 ARG QD 1.800 . 6.000 4.488 2.516 5.126 . 0 0 "[ . 1 . 2]" 1
1865 2 34 ARG H 2 34 ARG QG 1.800 . 4.600 3.189 2.320 4.191 . 0 0 "[ . 1 . 2]" 1
1866 2 27 SER HA 2 28 PRO HD3 1.800 . 3.000 2.245 2.008 2.447 . 0 0 "[ . 1 . 2]" 1
1867 2 27 SER HA 2 28 PRO HD2 1.800 . 3.000 2.801 2.524 3.036 0.036 3 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 70
_Distance_constraint_stats_list.Viol_count 77
_Distance_constraint_stats_list.Viol_total 61.479
_Distance_constraint_stats_list.Viol_max 0.256
_Distance_constraint_stats_list.Viol_rms 0.0156
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0022
_Distance_constraint_stats_list.Viol_average_violations_only 0.0399
_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 2 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 SER 1.541 0.256 3 0 "[ . 1 . 2]"
1 8 PHE 1.711 0.256 3 0 "[ . 1 . 2]"
1 9 PHE 0.170 0.043 15 0 "[ . 1 . 2]"
1 10 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 ARG 0.113 0.113 7 0 "[ . 1 . 2]"
1 36 VAL 0.113 0.113 7 0 "[ . 1 . 2]"
1 38 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 GLU 0.113 0.113 7 0 "[ . 1 . 2]"
1 47 TRP 0.404 0.113 7 0 "[ . 1 . 2]"
1 51 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 ALA 0.310 0.071 13 0 "[ . 1 . 2]"
1 62 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 THR 0.310 0.071 13 0 "[ . 1 . 2]"
1 64 LEU 0.310 0.071 13 0 "[ . 1 . 2]"
1 66 PHE 0.291 0.061 8 0 "[ . 1 . 2]"
1 67 GLY 1.711 0.256 3 0 "[ . 1 . 2]"
1 68 ASP 1.711 0.256 3 0 "[ . 1 . 2]"
1 69 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 TYR 0.291 0.061 8 0 "[ . 1 . 2]"
1 76 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 GLN 0.187 0.187 11 0 "[ . 1 . 2]"
1 85 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 GLN 0.187 0.187 11 0 "[ . 1 . 2]"
1 87 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 96 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 97 LYS 0.297 0.040 7 0 "[ . 1 . 2]"
1 98 LYS 0.297 0.040 7 0 "[ . 1 . 2]"
2 2 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 3 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 6 ILE 0.166 0.047 6 0 "[ . 1 . 2]"
2 7 HIS 0.166 0.047 6 0 "[ . 1 . 2]"
2 9 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
2 10 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 11 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 13 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 15 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
2 19 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
2 24 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
2 25 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
2 26 PTR 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 7 SER HA 1 8 PHE H 1.800 . 3.000 2.119 1.975 2.129 . 0 0 "[ . 1 . 2]" 2
2 1 7 SER H 1 8 PHE H 1.800 . 3.800 3.374 2.795 3.482 . 0 0 "[ . 1 . 2]" 2
3 1 8 PHE H 1 9 PHE H 1.800 . 3.800 3.517 3.054 3.843 0.043 15 0 "[ . 1 . 2]" 2
4 1 10 LEU H 1 10 LEU QD 1.800 . 3.800 3.314 3.136 3.448 . 0 0 "[ . 1 . 2]" 2
5 1 12 LYS H 1 76 VAL HB 1.800 . 3.800 2.734 2.576 3.224 . 0 0 "[ . 1 . 2]" 2
6 1 13 GLU H 1 13 GLU HB2 1.800 . 6.000 2.820 2.426 3.496 . 0 0 "[ . 1 . 2]" 2
7 1 13 GLU H 1 21 LEU HA 1.800 . 3.000 2.198 2.187 2.212 . 0 0 "[ . 1 . 2]" 2
8 1 16 LYS HA 1 17 GLY H 1.800 . 3.000 2.235 2.123 2.285 . 0 0 "[ . 1 . 2]" 2
9 1 13 GLU HB3 1 22 VAL H 1.800 . 3.800 3.379 2.727 3.783 . 0 0 "[ . 1 . 2]" 2
10 1 25 LEU MD2 1 26 LEU H 1.800 . 3.800 3.267 3.185 3.367 . 0 0 "[ . 1 . 2]" 2
11 1 10 LEU QD 1 26 LEU H 1.800 . 3.800 3.283 3.135 3.387 . 0 0 "[ . 1 . 2]" 2
12 1 35 ARG H 1 35 ARG HA 1.800 . 6.000 2.822 2.765 2.869 . 0 0 "[ . 1 . 2]" 2
13 1 25 LEU MD2 1 41 LYS H 1.800 . 4.600 3.776 3.673 3.953 . 0 0 "[ . 1 . 2]" 2
14 1 51 ASN H 1 52 ILE HB 1.800 . 4.600 3.663 3.579 4.569 . 0 0 "[ . 1 . 2]" 2
15 1 52 ILE H 1 52 ILE HB 1.800 . 3.000 2.115 2.063 2.529 . 0 0 "[ . 1 . 2]" 2
16 1 52 ILE HB 1 53 LYS H 1.800 . 6.000 3.868 2.750 3.978 . 0 0 "[ . 1 . 2]" 2
17 1 55 TRP H 1 55 TRP HZ3 1.800 . 3.800 3.001 2.978 3.028 . 0 0 "[ . 1 . 2]" 2
18 1 55 TRP HB2 1 56 ALA H 1.800 . 3.800 2.609 2.408 2.772 . 0 0 "[ . 1 . 2]" 2
19 1 56 ALA H 1 63 THR HG1 1.800 . 3.800 3.764 3.555 3.871 0.071 13 0 "[ . 1 . 2]" 2
20 1 63 THR HB 1 64 LEU H 1.800 . 4.600 3.831 3.727 3.939 . 0 0 "[ . 1 . 2]" 2
21 1 63 THR MG 1 64 LEU H 1.800 . 3.800 2.444 1.992 2.716 . 0 0 "[ . 1 . 2]" 2
22 1 79 THR H 1 80 GLU H 1.800 . 3.000 2.298 2.236 2.358 . 0 0 "[ . 1 . 2]" 2
23 1 79 THR H 1 81 GLY H 1.800 . 4.600 2.725 2.693 2.769 . 0 0 "[ . 1 . 2]" 2
24 1 83 GLN HA 1 86 GLN H 1.800 . 3.000 2.770 2.754 2.780 . 0 0 "[ . 1 . 2]" 2
25 1 85 ALA HA 1 89 ALA H 1.800 . 3.800 3.415 3.376 3.440 . 0 0 "[ . 1 . 2]" 2
26 1 95 ILE HG13 1 96 LEU H 1.800 . 3.000 2.145 2.101 2.181 . 0 0 "[ . 1 . 2]" 2
27 1 95 ILE MG 1 96 LEU H 1.800 . 3.800 3.040 2.956 3.118 . 0 0 "[ . 1 . 2]" 2
28 1 96 LEU QD 1 97 LYS H 1.800 . 4.600 4.095 3.827 4.314 . 0 0 "[ . 1 . 2]" 2
29 1 97 LYS QD 1 98 LYS H 1.800 . 3.800 3.813 3.773 3.840 0.040 7 0 "[ . 1 . 2]" 2
30 1 7 SER QB 1 8 PHE H 1.800 . 3.000 3.038 2.214 3.256 0.256 3 0 "[ . 1 . 2]" 2
31 1 9 PHE H 1 25 LEU HA 1.800 . 4.600 3.781 3.639 3.965 . 0 0 "[ . 1 . 2]" 2
32 1 25 LEU H 1 36 VAL HB 1.800 . 3.800 3.266 3.006 3.718 . 0 0 "[ . 1 . 2]" 2
33 1 28 ILE HA 1 34 MET H 1.800 . 3.000 2.229 2.202 2.246 . 0 0 "[ . 1 . 2]" 2
34 1 2 LEU HA 1 2 LEU HG 1.800 . 3.000 2.226 2.008 2.438 . 0 0 "[ . 1 . 2]" 2
35 1 9 PHE QD 1 28 ILE MD 1.800 . 3.000 2.408 2.065 2.788 . 0 0 "[ . 1 . 2]" 2
36 1 16 LYS HA 1 16 LYS HG3 1.800 . 3.000 2.109 2.046 2.217 . 0 0 "[ . 1 . 2]" 2
37 1 21 LEU HA 1 21 LEU HG 1.800 . 3.000 2.748 2.705 2.819 . 0 0 "[ . 1 . 2]" 2
38 1 14 LYS QB 1 21 LEU MD1 1.800 . 3.800 3.496 3.236 3.611 . 0 0 "[ . 1 . 2]" 2
39 1 28 ILE HA 1 28 ILE MG 1.800 . 3.000 2.318 2.301 2.338 . 0 0 "[ . 1 . 2]" 2
40 1 10 LEU HG 1 11 VAL HA 1.800 . 3.000 2.892 2.410 2.991 . 0 0 "[ . 1 . 2]" 2
41 1 2 LEU HA 1 2 LEU QB 1.800 . 3.800 2.281 2.039 2.351 . 0 0 "[ . 1 . 2]" 2
42 1 41 LYS HA 1 41 LYS HB2 1.800 . 3.000 2.640 2.605 2.920 . 0 0 "[ . 1 . 2]" 2
43 1 35 ARG QB 1 36 VAL H 1.800 . 3.000 2.552 2.415 3.113 0.113 7 0 "[ . 1 . 2]" 2
44 1 47 TRP HB2 1 47 TRP HZ3 1.800 . 3.000 2.799 2.571 3.000 . 0 0 "[ . 1 . 2]" 2
45 1 55 TRP HH2 2 25 VAL HB 1.800 . 6.000 4.070 3.505 4.362 . 0 0 "[ . 1 . 2]" 2
46 1 55 TRP HZ2 2 25 VAL HB 1.800 . 3.800 3.199 2.889 3.430 . 0 0 "[ . 1 . 2]" 2
47 1 62 PHE HA 1 63 THR HG1 1.800 . 3.800 2.299 2.184 2.325 . 0 0 "[ . 1 . 2]" 2
48 1 47 TRP HZ3 1 74 TYR QD 1.800 . 3.800 3.724 3.314 3.861 0.061 8 0 "[ . 1 . 2]" 2
49 1 8 PHE QD 1 36 VAL HB 1.800 . 4.600 2.935 2.592 3.585 . 0 0 "[ . 1 . 2]" 2
50 1 83 GLN HA 1 83 GLN HG2 1.800 . 3.000 2.746 2.462 3.187 0.187 11 0 "[ . 1 . 2]" 2
51 1 83 GLN HA 1 83 GLN HB2 1.800 . 3.000 2.546 2.412 2.598 . 0 0 "[ . 1 . 2]" 2
52 1 86 GLN HA 1 86 GLN HB2 1.800 . 3.800 2.634 2.535 2.988 . 0 0 "[ . 1 . 2]" 2
53 1 85 ALA HA 1 88 ILE MD 1.800 . 3.800 2.690 2.532 2.826 . 0 0 "[ . 1 . 2]" 2
54 1 62 PHE QE 1 85 ALA HA 1.800 . 6.000 2.400 2.265 2.473 . 0 0 "[ . 1 . 2]" 2
55 1 85 ALA HA 1 88 ILE MG 1.800 . 4.600 2.419 2.409 2.434 . 0 0 "[ . 1 . 2]" 2
56 1 41 LYS HA 1 41 LYS HB3 1.800 . 3.000 2.416 2.396 2.456 . 0 0 "[ . 1 . 2]" 2
57 1 36 VAL MG2 1 41 LYS HA 1.800 . 3.000 2.410 2.390 2.423 . 0 0 "[ . 1 . 2]" 2
58 1 16 LYS HA 1 16 LYS HG2 1.800 . 6.000 2.310 2.153 2.780 . 0 0 "[ . 1 . 2]" 2
59 2 2 LEU HA 2 3 LEU H 1.800 . 3.000 2.178 1.982 2.761 . 0 0 "[ . 1 . 2]" 2
60 2 2 LEU HA 2 2 LEU MD1 1.800 . 3.800 2.745 2.118 3.512 . 0 0 "[ . 1 . 2]" 2
61 2 2 LEU HA 2 2 LEU MD2 1.800 . 3.000 2.148 1.963 2.683 . 0 0 "[ . 1 . 2]" 2
62 2 25 VAL HA 2 25 VAL HB 1.800 . 3.000 2.310 2.306 2.314 . 0 0 "[ . 1 . 2]" 2
63 2 25 VAL HB 2 26 PTR HA 1.800 . 4.600 3.830 3.769 3.932 . 0 0 "[ . 1 . 2]" 2
64 2 6 ILE HA 2 6 ILE MD 1.800 . 3.800 2.383 2.175 3.050 . 0 0 "[ . 1 . 2]" 2
65 2 6 ILE MD 2 6 ILE HG12 1.800 . 3.000 1.960 1.934 1.974 . 0 0 "[ . 1 . 2]" 2
66 2 6 ILE MD 2 6 ILE HG13 1.800 . 3.000 2.083 2.023 2.091 . 0 0 "[ . 1 . 2]" 2
67 2 6 ILE H 2 6 ILE MD 1.800 . 4.600 3.269 2.063 3.757 . 0 0 "[ . 1 . 2]" 2
68 2 6 ILE MD 2 7 HIS HD1 1.800 . 6.000 4.997 2.413 6.030 0.030 20 0 "[ . 1 . 2]" 2
69 2 6 ILE MD 2 7 HIS H 1.800 . 4.600 3.497 2.145 4.123 . 0 0 "[ . 1 . 2]" 2
70 2 6 ILE MD 2 7 HIS HA 1.800 . 4.600 3.971 3.437 4.647 0.047 6 0 "[ . 1 . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 84
_Distance_constraint_stats_list.Viol_count 428
_Distance_constraint_stats_list.Viol_total 251.015
_Distance_constraint_stats_list.Viol_max 0.108
_Distance_constraint_stats_list.Viol_rms 0.0176
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0075
_Distance_constraint_stats_list.Viol_average_violations_only 0.0293
_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 7 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 PHE 0.423 0.040 16 0 "[ . 1 . 2]"
1 11 VAL 0.190 0.041 11 0 "[ . 1 . 2]"
1 12 LYS 0.021 0.012 13 0 "[ . 1 . 2]"
1 13 GLU 0.035 0.016 7 0 "[ . 1 . 2]"
1 22 VAL 0.035 0.016 7 0 "[ . 1 . 2]"
1 24 ARG 0.190 0.041 11 0 "[ . 1 . 2]"
1 25 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 LEU 0.423 0.040 16 0 "[ . 1 . 2]"
1 27 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 THR 0.657 0.052 18 0 "[ . 1 . 2]"
1 32 SER 0.657 0.052 18 0 "[ . 1 . 2]"
1 33 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 ARG 1.086 0.085 12 0 "[ . 1 . 2]"
1 36 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 ASP 0.045 0.022 2 0 "[ . 1 . 2]"
1 42 GLU 0.045 0.022 2 0 "[ . 1 . 2]"
1 44 ILE 0.231 0.049 4 0 "[ . 1 . 2]"
1 45 GLN 0.855 0.085 12 0 "[ . 1 . 2]"
1 47 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 SER 0.059 0.031 4 0 "[ . 1 . 2]"
1 60 LYS 0.920 0.089 17 0 "[ . 1 . 2]"
1 61 SER 0.059 0.031 4 0 "[ . 1 . 2]"
1 62 PHE 0.092 0.048 1 0 "[ . 1 . 2]"
1 63 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 LEU 1.010 0.083 18 0 "[ . 1 . 2]"
1 65 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 TYR 1.010 0.083 18 0 "[ . 1 . 2]"
1 76 VAL 0.092 0.048 1 0 "[ . 1 . 2]"
1 77 GLN 0.021 0.012 13 0 "[ . 1 . 2]"
1 78 THR 0.920 0.089 17 0 "[ . 1 . 2]"
1 80 GLU 3.161 0.108 15 0 "[ . 1 . 2]"
1 81 GLY 0.009 0.005 18 0 "[ . 1 . 2]"
1 82 GLU 0.412 0.035 13 0 "[ . 1 . 2]"
1 83 GLN 0.002 0.002 20 0 "[ . 1 . 2]"
1 84 ILE 3.161 0.108 15 0 "[ . 1 . 2]"
1 85 ALA 0.221 0.037 8 0 "[ . 1 . 2]"
1 86 GLN 0.412 0.035 13 0 "[ . 1 . 2]"
1 87 LEU 1.143 0.051 11 0 "[ . 1 . 2]"
1 88 ILE 1.259 0.062 6 0 "[ . 1 . 2]"
1 89 ALA 0.466 0.037 8 0 "[ . 1 . 2]"
1 90 GLY 0.456 0.033 17 0 "[ . 1 . 2]"
1 91 TYR 1.142 0.051 11 0 "[ . 1 . 2]"
1 92 ILE 1.259 0.062 6 0 "[ . 1 . 2]"
1 93 ASP 0.254 0.022 18 0 "[ . 1 . 2]"
1 94 ILE 0.456 0.033 17 0 "[ . 1 . 2]"
2 8 ASP 0.087 0.016 3 0 "[ . 1 . 2]"
2 9 ARG 0.002 0.002 7 0 "[ . 1 . 2]"
2 10 LYS 0.343 0.033 6 0 "[ . 1 . 2]"
2 11 GLU 0.673 0.052 13 0 "[ . 1 . 2]"
2 12 PHE 0.088 0.016 3 0 "[ . 1 . 2]"
2 13 ALA 0.002 0.002 7 0 "[ . 1 . 2]"
2 14 LYS 0.343 0.033 6 0 "[ . 1 . 2]"
2 15 PHE 0.673 0.052 13 0 "[ . 1 . 2]"
2 16 GLU 0.000 0.000 5 0 "[ . 1 . 2]"
2 25 VAL 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 7 SER O 1 28 ILE N 0.000 . 3.300 3.099 2.996 3.210 . 0 0 "[ . 1 . 2]" 3
2 1 7 SER O 1 28 ILE H 0.000 . 2.400 2.123 2.024 2.234 . 0 0 "[ . 1 . 2]" 3
3 1 9 PHE O 1 26 LEU N 0.000 . 3.300 3.295 3.190 3.340 0.040 16 0 "[ . 1 . 2]" 3
4 1 9 PHE O 1 26 LEU H 0.000 . 2.400 2.391 2.291 2.425 0.025 16 0 "[ . 1 . 2]" 3
5 1 11 VAL O 1 24 ARG N 0.000 . 3.300 2.954 2.879 3.033 . 0 0 "[ . 1 . 2]" 3
6 1 11 VAL O 1 24 ARG H 0.000 . 2.400 2.094 1.944 2.291 . 0 0 "[ . 1 . 2]" 3
7 1 13 GLU N 1 22 VAL O 0.000 . 3.300 3.181 2.966 3.316 0.016 7 0 "[ . 1 . 2]" 3
8 1 13 GLU H 1 22 VAL O 0.000 . 2.400 2.256 2.006 2.404 0.004 7 0 "[ . 1 . 2]" 3
9 1 11 VAL N 1 24 ARG O 0.000 . 3.300 3.291 3.221 3.341 0.041 11 0 "[ . 1 . 2]" 3
10 1 11 VAL H 1 24 ARG O 0.000 . 2.400 2.345 2.275 2.395 . 0 0 "[ . 1 . 2]" 3
11 1 9 PHE N 1 26 LEU O 0.000 . 3.300 3.081 2.967 3.262 . 0 0 "[ . 1 . 2]" 3
12 1 9 PHE H 1 26 LEU O 0.000 . 2.400 2.127 2.006 2.317 . 0 0 "[ . 1 . 2]" 3
13 1 25 LEU O 1 36 VAL N 0.000 . 3.300 3.045 2.909 3.262 . 0 0 "[ . 1 . 2]" 3
14 1 25 LEU O 1 36 VAL H 0.000 . 2.400 2.134 1.962 2.358 . 0 0 "[ . 1 . 2]" 3
15 1 27 GLY O 1 34 MET N 0.000 . 3.300 3.113 3.006 3.293 . 0 0 "[ . 1 . 2]" 3
16 1 27 GLY O 1 34 MET H 0.000 . 2.400 2.162 2.050 2.365 . 0 0 "[ . 1 . 2]" 3
17 1 29 THR N 1 32 SER O 0.000 . 3.300 3.300 3.287 3.313 0.013 13 0 "[ . 1 . 2]" 3
18 1 29 THR H 1 32 SER O 0.000 . 2.400 2.429 2.399 2.452 0.052 18 0 "[ . 1 . 2]" 3
19 1 27 GLY N 1 34 MET O 0.000 . 3.300 3.078 2.948 3.190 . 0 0 "[ . 1 . 2]" 3
20 1 27 GLY H 1 34 MET O 0.000 . 2.400 2.253 2.141 2.391 . 0 0 "[ . 1 . 2]" 3
21 1 33 VAL O 1 47 TRP N 0.000 . 3.300 2.889 2.843 2.948 . 0 0 "[ . 1 . 2]" 3
22 1 33 VAL O 1 47 TRP H 0.000 . 2.400 1.931 1.871 2.009 . 0 0 "[ . 1 . 2]" 3
23 1 35 ARG O 1 44 ILE N 0.000 . 3.300 3.296 3.233 3.349 0.049 4 0 "[ . 1 . 2]" 3
24 1 35 ARG O 1 44 ILE H 0.000 . 2.400 2.337 2.264 2.396 . 0 0 "[ . 1 . 2]" 3
25 1 37 ASP N 1 42 GLU O 0.000 . 3.300 3.176 3.034 3.322 0.022 2 0 "[ . 1 . 2]" 3
26 1 37 ASP H 1 42 GLU O 0.000 . 2.400 2.217 2.067 2.376 . 0 0 "[ . 1 . 2]" 3
27 1 35 ARG N 1 45 GLN O 0.000 . 3.300 3.314 3.163 3.385 0.085 12 0 "[ . 1 . 2]" 3
28 1 35 ARG H 1 45 GLN O 0.000 . 2.400 2.374 2.248 2.428 0.028 12 0 "[ . 1 . 2]" 3
29 1 33 VAL N 1 47 TRP O 0.000 . 3.300 2.918 2.866 2.986 . 0 0 "[ . 1 . 2]" 3
30 1 33 VAL H 1 47 TRP O 0.000 . 2.400 1.982 1.934 2.062 . 0 0 "[ . 1 . 2]" 3
31 1 54 ARG O 1 65 ASP N 0.000 . 3.300 3.020 2.896 3.160 . 0 0 "[ . 1 . 2]" 3
32 1 54 ARG O 1 65 ASP H 0.000 . 2.400 2.164 1.926 2.385 . 0 0 "[ . 1 . 2]" 3
33 1 56 ALA O 1 63 THR N 0.000 . 3.300 2.950 2.854 3.230 . 0 0 "[ . 1 . 2]" 3
34 1 56 ALA O 1 63 THR H 0.000 . 2.400 2.002 1.923 2.322 . 0 0 "[ . 1 . 2]" 3
35 1 58 SER N 1 61 SER O 0.000 . 3.300 3.092 2.976 3.196 . 0 0 "[ . 1 . 2]" 3
36 1 58 SER H 1 61 SER O 0.000 . 2.400 2.288 2.134 2.431 0.031 4 0 "[ . 1 . 2]" 3
37 1 56 ALA N 1 63 THR O 0.000 . 3.300 2.968 2.709 3.157 . 0 0 "[ . 1 . 2]" 3
38 1 56 ALA H 1 63 THR O 0.000 . 2.400 2.032 1.782 2.240 . 0 0 "[ . 1 . 2]" 3
39 1 60 LYS O 1 78 THR N 0.000 . 3.300 3.110 3.020 3.255 . 0 0 "[ . 1 . 2]" 3
40 1 60 LYS O 1 78 THR H 0.000 . 2.400 2.446 2.403 2.489 0.089 17 0 "[ . 1 . 2]" 3
41 1 62 PHE O 1 76 VAL N 0.000 . 3.300 3.221 3.059 3.348 0.048 1 0 "[ . 1 . 2]" 3
42 1 62 PHE O 1 76 VAL H 0.000 . 2.400 2.247 2.095 2.366 . 0 0 "[ . 1 . 2]" 3
43 1 64 LEU N 1 74 TYR O 0.000 . 3.300 3.240 3.015 3.383 0.083 18 0 "[ . 1 . 2]" 3
44 1 64 LEU H 1 74 TYR O 0.000 . 2.400 2.313 2.079 2.459 0.059 15 0 "[ . 1 . 2]" 3
45 1 62 PHE N 1 76 VAL O 0.000 . 3.300 2.953 2.862 3.012 . 0 0 "[ . 1 . 2]" 3
46 1 62 PHE H 1 76 VAL O 0.000 . 2.400 2.049 1.963 2.123 . 0 0 "[ . 1 . 2]" 3
47 1 12 LYS O 1 77 GLN N 0.000 . 3.300 3.043 2.913 3.242 . 0 0 "[ . 1 . 2]" 3
48 1 12 LYS O 1 77 GLN H 0.000 . 2.400 2.110 1.985 2.315 . 0 0 "[ . 1 . 2]" 3
49 1 12 LYS N 1 77 GLN O 0.000 . 3.300 3.191 3.054 3.312 0.012 13 0 "[ . 1 . 2]" 3
50 1 12 LYS H 1 77 GLN O 0.000 . 2.400 2.272 2.092 2.406 0.006 18 0 "[ . 1 . 2]" 3
51 1 80 GLU O 1 84 ILE N 0.000 . 3.300 3.391 3.353 3.408 0.108 15 0 "[ . 1 . 2]" 3
52 1 80 GLU O 1 84 ILE H 0.000 . 2.400 2.468 2.439 2.494 0.094 3 0 "[ . 1 . 2]" 3
53 1 81 GLY O 1 85 ALA N 0.000 . 3.300 3.244 3.150 3.305 0.005 18 0 "[ . 1 . 2]" 3
54 1 81 GLY O 1 85 ALA H 0.000 . 2.400 2.302 2.210 2.368 . 0 0 "[ . 1 . 2]" 3
55 1 82 GLU O 1 86 GLN N 0.000 . 3.300 3.314 3.251 3.335 0.035 13 0 "[ . 1 . 2]" 3
56 1 82 GLU O 1 86 GLN H 0.000 . 2.400 2.401 2.355 2.409 0.009 9 0 "[ . 1 . 2]" 3
57 1 83 GLN O 1 87 LEU N 0.000 . 3.300 3.211 3.155 3.249 . 0 0 "[ . 1 . 2]" 3
58 1 83 GLN O 1 87 LEU H 0.000 . 2.400 2.364 2.317 2.402 0.002 20 0 "[ . 1 . 2]" 3
59 1 84 ILE O 1 88 ILE N 0.000 . 3.300 3.210 3.162 3.256 . 0 0 "[ . 1 . 2]" 3
60 1 84 ILE O 1 88 ILE H 0.000 . 2.400 2.269 2.206 2.326 . 0 0 "[ . 1 . 2]" 3
61 1 85 ALA O 1 89 ALA N 0.000 . 3.300 3.272 3.139 3.337 0.037 8 0 "[ . 1 . 2]" 3
62 1 85 ALA O 1 89 ALA H 0.000 . 2.400 2.331 2.207 2.394 . 0 0 "[ . 1 . 2]" 3
63 1 86 GLN O 1 90 GLY N 0.000 . 3.300 3.207 3.089 3.296 . 0 0 "[ . 1 . 2]" 3
64 1 86 GLN O 1 90 GLY H 0.000 . 2.400 2.299 2.194 2.382 . 0 0 "[ . 1 . 2]" 3
65 1 87 LEU O 1 91 TYR N 0.000 . 3.300 3.326 3.311 3.336 0.036 11 0 "[ . 1 . 2]" 3
66 1 87 LEU O 1 91 TYR H 0.000 . 2.400 2.431 2.416 2.451 0.051 11 0 "[ . 1 . 2]" 3
67 1 88 ILE O 1 92 ILE N 0.000 . 3.300 3.335 3.319 3.362 0.062 6 0 "[ . 1 . 2]" 3
68 1 88 ILE O 1 92 ILE H 0.000 . 2.400 2.427 2.408 2.455 0.055 6 0 "[ . 1 . 2]" 3
69 1 89 ALA O 1 93 ASP N 0.000 . 3.300 3.277 3.187 3.317 0.017 8 0 "[ . 1 . 2]" 3
70 1 89 ALA O 1 93 ASP H 0.000 . 2.400 2.389 2.299 2.422 0.022 18 0 "[ . 1 . 2]" 3
71 1 90 GLY O 1 94 ILE N 0.000 . 3.300 3.289 3.268 3.305 0.005 17 0 "[ . 1 . 2]" 3
72 1 90 GLY O 1 94 ILE H 0.000 . 2.400 2.422 2.403 2.433 0.033 17 0 "[ . 1 . 2]" 3
73 2 8 ASP O 2 12 PHE H 0.000 . 2.400 2.345 2.226 2.391 . 0 0 "[ . 1 . 2]" 3
74 2 8 ASP O 2 12 PHE N 0.000 . 3.300 3.276 3.164 3.316 0.016 3 0 "[ . 1 . 2]" 3
75 2 9 ARG O 2 13 ALA H 0.000 . 2.400 2.269 2.156 2.402 0.002 7 0 "[ . 1 . 2]" 3
76 2 9 ARG O 2 13 ALA N 0.000 . 3.300 3.139 3.033 3.257 . 0 0 "[ . 1 . 2]" 3
77 1 55 TRP H 2 25 VAL O 0.000 . 2.400 2.269 2.065 2.323 . 0 0 "[ . 1 . 2]" 3
78 1 55 TRP N 2 25 VAL O 0.000 . 3.300 3.205 3.011 3.273 . 0 0 "[ . 1 . 2]" 3
79 2 10 LYS O 2 14 LYS H 0.000 . 2.400 2.375 2.290 2.416 0.016 15 0 "[ . 1 . 2]" 3
80 2 10 LYS O 2 14 LYS N 0.000 . 3.300 3.298 3.187 3.333 0.033 6 0 "[ . 1 . 2]" 3
81 2 11 GLU O 2 15 PHE H 0.000 . 2.400 2.423 2.298 2.452 0.052 13 0 "[ . 1 . 2]" 3
82 2 11 GLU O 2 15 PHE N 0.000 . 3.300 3.277 3.158 3.322 0.022 13 0 "[ . 1 . 2]" 3
83 2 12 PHE O 2 16 GLU H 0.000 . 2.400 2.253 2.123 2.360 . 0 0 "[ . 1 . 2]" 3
84 2 12 PHE O 2 16 GLU N 0.000 . 3.300 3.202 3.081 3.300 0.000 5 0 "[ . 1 . 2]" 3
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