NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
473600 |
2k3d   |
15750 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2k3d
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 1072
_Distance_constraint_stats_list.Viol_count 496
_Distance_constraint_stats_list.Viol_total 543.264
_Distance_constraint_stats_list.Viol_max 0.339
_Distance_constraint_stats_list.Viol_rms 0.0117
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0013
_Distance_constraint_stats_list.Viol_average_violations_only 0.0548
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 PHE 0.047 0.033 14 0 "[ . 1 . 2]"
1 4 ASN 0.203 0.156 14 0 "[ . 1 . 2]"
1 5 GLU 0.041 0.024 18 0 "[ . 1 . 2]"
1 6 GLN 0.308 0.094 15 0 "[ . 1 . 2]"
1 7 LYS 0.983 0.156 14 0 "[ . 1 . 2]"
1 8 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 LYS 0.144 0.074 8 0 "[ . 1 . 2]"
1 10 VAL 0.264 0.066 13 0 "[ . 1 . 2]"
1 11 THR 0.828 0.111 3 0 "[ . 1 . 2]"
1 12 LEU 1.029 0.137 5 0 "[ . 1 . 2]"
1 13 TYR 0.751 0.076 3 0 "[ . 1 . 2]"
1 14 LEU 0.356 0.066 17 0 "[ . 1 . 2]"
1 15 LYS 0.539 0.111 3 0 "[ . 1 . 2]"
1 16 HIS 0.803 0.137 5 0 "[ . 1 . 2]"
1 17 ASN 0.776 0.175 4 0 "[ . 1 . 2]"
1 18 ILE 0.524 0.089 3 0 "[ . 1 . 2]"
1 19 PRO 0.708 0.110 7 0 "[ . 1 . 2]"
1 20 ASP 0.582 0.126 16 0 "[ . 1 . 2]"
1 21 PHE 0.330 0.058 11 0 "[ . 1 . 2]"
1 22 ASN 0.555 0.058 8 0 "[ . 1 . 2]"
1 23 THR 0.800 0.125 3 0 "[ . 1 . 2]"
1 24 VAL 0.005 0.005 15 0 "[ . 1 . 2]"
1 25 THR 0.280 0.124 8 0 "[ . 1 . 2]"
1 26 PHE 1.466 0.134 5 0 "[ . 1 . 2]"
1 27 THR 0.881 0.247 8 0 "[ . 1 . 2]"
1 28 ASN 1.371 0.247 8 0 "[ . 1 . 2]"
1 29 GLU 0.538 0.328 10 0 "[ . 1 . 2]"
1 30 GLU 1.476 0.328 10 0 "[ . 1 . 2]"
1 31 PHE 0.782 0.130 7 0 "[ . 1 . 2]"
1 32 ASN 1.062 0.231 12 0 "[ . 1 . 2]"
1 33 PRO 0.543 0.231 12 0 "[ . 1 . 2]"
1 34 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 GLY 0.386 0.115 10 0 "[ . 1 . 2]"
1 36 ILE 1.487 0.245 8 0 "[ . 1 . 2]"
1 37 SER 0.966 0.241 8 0 "[ . 1 . 2]"
1 38 ILE 0.611 0.123 14 0 "[ . 1 . 2]"
1 39 ASP 0.562 0.217 8 0 "[ . 1 . 2]"
1 40 GLY 0.004 0.004 2 0 "[ . 1 . 2]"
1 41 TYR 0.653 0.105 7 0 "[ . 1 . 2]"
1 42 ILE 1.986 0.337 3 0 "[ . 1 . 2]"
1 43 ASN 0.548 0.068 8 0 "[ . 1 . 2]"
1 44 ASN 0.273 0.113 8 0 "[ . 1 . 2]"
1 45 ASP 0.429 0.105 7 0 "[ . 1 . 2]"
1 46 LYS 0.194 0.099 6 0 "[ . 1 . 2]"
1 47 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 LEU 0.543 0.091 12 0 "[ . 1 . 2]"
1 49 SER 0.856 0.149 8 0 "[ . 1 . 2]"
1 50 PHE 1.275 0.337 3 0 "[ . 1 . 2]"
1 51 THR 0.437 0.113 13 0 "[ . 1 . 2]"
1 52 ALA 0.808 0.143 2 0 "[ . 1 . 2]"
1 53 GLY 0.350 0.077 7 0 "[ . 1 . 2]"
1 54 LYS 0.821 0.245 8 0 "[ . 1 . 2]"
1 56 VAL 0.463 0.100 16 0 "[ . 1 . 2]"
1 57 LYS 1.094 0.255 6 0 "[ . 1 . 2]"
1 58 ILE 1.354 0.255 6 0 "[ . 1 . 2]"
1 59 PHE 0.622 0.143 2 0 "[ . 1 . 2]"
1 60 SER 0.215 0.081 2 0 "[ . 1 . 2]"
1 61 SER 0.261 0.089 3 0 "[ . 1 . 2]"
1 62 SER 0.307 0.109 8 0 "[ . 1 . 2]"
1 63 GLU 0.178 0.095 13 0 "[ . 1 . 2]"
1 64 GLU 0.516 0.091 12 0 "[ . 1 . 2]"
1 65 LEU 1.339 0.149 8 0 "[ . 1 . 2]"
1 66 ASP 0.193 0.095 13 0 "[ . 1 . 2]"
1 67 LYS 0.160 0.056 11 0 "[ . 1 . 2]"
1 68 MET 1.537 0.139 3 0 "[ . 1 . 2]"
1 69 PHE 0.465 0.110 7 0 "[ . 1 . 2]"
1 70 GLN 0.459 0.094 2 0 "[ . 1 . 2]"
1 71 GLU 0.789 0.315 11 0 "[ . 1 . 2]"
1 72 PRO 0.182 0.182 11 0 "[ . 1 . 2]"
1 73 ARG 0.482 0.239 18 0 "[ . 1 . 2]"
1 74 LYS 0.676 0.175 4 0 "[ . 1 . 2]"
1 75 GLY 0.122 0.062 20 0 "[ . 1 . 2]"
1 76 TYR 3.723 0.221 17 0 "[ . 1 . 2]"
1 77 ASP 0.051 0.028 15 0 "[ . 1 . 2]"
1 78 GLU 0.313 0.111 16 0 "[ . 1 . 2]"
1 79 ILE 3.745 0.339 9 0 "[ . 1 . 2]"
1 80 LEU 0.760 0.221 17 0 "[ . 1 . 2]"
1 81 GLU 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 2 PHE HA 1 2 PHE QD 1.800 . 4.000 2.743 2.459 3.718 . 0 0 "[ . 1 . 2]" 1
2 1 2 PHE HA 1 5 GLU QB 1.800 . 4.600 3.213 2.584 4.516 . 0 0 "[ . 1 . 2]" 1
3 1 2 PHE HA 1 5 GLU QG 1.800 . 5.220 3.244 2.283 3.965 . 0 0 "[ . 1 . 2]" 1
4 1 3 PHE H 1 3 PHE QB 1.800 . 3.550 2.366 2.237 2.419 . 0 0 "[ . 1 . 2]" 1
5 1 3 PHE H 1 3 PHE QE 1.800 . 5.260 4.254 4.135 4.598 . 0 0 "[ . 1 . 2]" 1
6 1 3 PHE H 1 4 ASN H 1.800 . 4.530 2.649 2.316 2.750 . 0 0 "[ . 1 . 2]" 1
7 1 3 PHE HA 1 6 GLN QB 1.800 . 4.350 2.711 2.343 3.237 . 0 0 "[ . 1 . 2]" 1
8 1 3 PHE HA 1 7 LYS H 1.800 . 5.000 4.167 3.769 4.401 . 0 0 "[ . 1 . 2]" 1
9 1 3 PHE QB 1 4 ASN H 1.800 . 4.280 2.624 2.490 2.842 . 0 0 "[ . 1 . 2]" 1
10 1 3 PHE QE 1 36 ILE HB 1.800 . 4.710 3.540 2.629 4.648 . 0 0 "[ . 1 . 2]" 1
11 1 3 PHE QE 1 36 ILE MD 1.800 . 3.730 2.986 2.271 3.739 0.009 7 0 "[ . 1 . 2]" 1
12 1 3 PHE QE 1 36 ILE MG 1.800 . 3.700 3.169 2.320 3.733 0.033 14 0 "[ . 1 . 2]" 1
13 1 4 ASN H 1 4 ASN QB 1.800 . 3.560 2.301 2.239 2.404 . 0 0 "[ . 1 . 2]" 1
14 1 4 ASN HA 1 7 LYS H 1.800 . 4.350 3.575 3.375 3.732 . 0 0 "[ . 1 . 2]" 1
15 1 4 ASN HA 1 7 LYS QB 1.800 . 5.000 2.826 2.251 3.118 . 0 0 "[ . 1 . 2]" 1
16 1 4 ASN HA 1 7 LYS QD 1.800 . 4.710 3.040 2.306 4.757 0.047 15 0 "[ . 1 . 2]" 1
17 1 4 ASN HA 1 7 LYS QE 1.800 . 5.000 3.975 2.081 5.156 0.156 14 0 "[ . 1 . 2]" 1
18 1 4 ASN HA 1 8 GLU H 1.800 . 5.000 4.309 3.966 4.454 . 0 0 "[ . 1 . 2]" 1
19 1 4 ASN QB 1 5 GLU H 1.800 . 3.910 2.521 2.412 2.604 . 0 0 "[ . 1 . 2]" 1
20 1 4 ASN QB 1 5 GLU QG 1.800 . 4.510 3.335 3.152 3.947 . 0 0 "[ . 1 . 2]" 1
21 1 5 GLU H 1 5 GLU HB2 1.800 . 3.920 2.603 2.377 3.621 . 0 0 "[ . 1 . 2]" 1
22 1 5 GLU H 1 5 GLU HB3 1.800 . 3.920 3.469 2.615 3.616 . 0 0 "[ . 1 . 2]" 1
23 1 5 GLU H 1 5 GLU QG 1.800 . 3.620 2.218 1.776 3.170 0.024 18 0 "[ . 1 . 2]" 1
24 1 5 GLU H 1 6 GLN H 1.800 . 3.840 2.653 2.536 2.805 . 0 0 "[ . 1 . 2]" 1
25 1 5 GLU HA 1 5 GLU HG2 1.800 . 3.820 2.884 2.451 3.687 . 0 0 "[ . 1 . 2]" 1
26 1 5 GLU HA 1 5 GLU HG3 1.800 . 3.820 3.320 2.297 3.756 . 0 0 "[ . 1 . 2]" 1
27 1 5 GLU HA 1 8 GLU H 1.800 . 5.000 3.519 3.383 3.751 . 0 0 "[ . 1 . 2]" 1
28 1 5 GLU QB 1 6 GLN H 1.800 . 3.900 2.672 2.341 3.411 . 0 0 "[ . 1 . 2]" 1
29 1 6 GLN H 1 6 GLN HB2 1.800 . 4.030 2.394 2.130 2.532 . 0 0 "[ . 1 . 2]" 1
30 1 6 GLN H 1 6 GLN HB3 1.800 . 4.030 3.341 2.566 3.624 . 0 0 "[ . 1 . 2]" 1
31 1 6 GLN H 1 7 LYS H 1.800 . 4.050 2.656 2.550 2.730 . 0 0 "[ . 1 . 2]" 1
32 1 6 GLN H 1 8 GLU H 1.800 . 5.000 4.187 4.100 4.310 . 0 0 "[ . 1 . 2]" 1
33 1 6 GLN HA 1 9 LYS H 1.800 . 4.390 3.528 3.371 3.655 . 0 0 "[ . 1 . 2]" 1
34 1 6 GLN HA 1 9 LYS QD 1.800 . 5.000 2.922 2.331 4.914 . 0 0 "[ . 1 . 2]" 1
35 1 6 GLN HA 1 10 VAL MG2 1.800 . 5.150 3.938 3.489 4.181 . 0 0 "[ . 1 . 2]" 1
36 1 6 GLN HB2 1 7 LYS H 1.800 . 4.310 2.955 2.531 3.816 . 0 0 "[ . 1 . 2]" 1
37 1 6 GLN HB2 1 38 ILE MD 1.800 . 3.940 3.185 2.243 4.034 0.094 15 0 "[ . 1 . 2]" 1
38 1 6 GLN HB3 1 7 LYS H 1.800 . 4.310 3.261 2.489 3.746 . 0 0 "[ . 1 . 2]" 1
39 1 6 GLN HB3 1 38 ILE MD 1.800 . 3.940 2.523 2.110 3.195 . 0 0 "[ . 1 . 2]" 1
40 1 6 GLN QE 1 9 LYS QD 1.800 . 5.340 3.753 2.550 5.414 0.074 8 0 "[ . 1 . 2]" 1
41 1 6 GLN HG2 1 36 ILE MD 1.800 . 5.010 3.703 2.240 5.010 0.000 14 0 "[ . 1 . 2]" 1
42 1 6 GLN HG3 1 36 ILE MD 1.800 . 5.010 3.294 2.218 5.060 0.050 18 0 "[ . 1 . 2]" 1
43 1 7 LYS H 1 7 LYS HB2 1.800 . 3.830 2.403 2.246 2.524 . 0 0 "[ . 1 . 2]" 1
44 1 7 LYS H 1 7 LYS HB3 1.800 . 3.830 3.410 2.557 3.611 . 0 0 "[ . 1 . 2]" 1
45 1 7 LYS H 1 7 LYS QD 1.800 . 5.070 3.913 3.558 4.630 . 0 0 "[ . 1 . 2]" 1
46 1 7 LYS H 1 8 GLU H 1.800 . 3.580 2.681 2.617 2.721 . 0 0 "[ . 1 . 2]" 1
47 1 7 LYS H 1 38 ILE MD 1.800 . 4.400 4.025 3.311 4.421 0.021 17 0 "[ . 1 . 2]" 1
48 1 7 LYS HA 1 7 LYS HG2 1.800 . 3.770 2.583 2.351 3.629 . 0 0 "[ . 1 . 2]" 1
49 1 7 LYS HA 1 7 LYS HG3 1.800 . 3.770 2.821 2.444 3.031 . 0 0 "[ . 1 . 2]" 1
50 1 7 LYS HA 1 10 VAL HB 1.800 . 3.800 2.866 2.677 3.178 . 0 0 "[ . 1 . 2]" 1
51 1 7 LYS HA 1 10 VAL MG2 1.800 . 4.400 3.267 3.019 3.525 . 0 0 "[ . 1 . 2]" 1
52 1 7 LYS HA 1 26 PHE QE 1.800 . 4.260 3.626 2.664 4.201 . 0 0 "[ . 1 . 2]" 1
53 1 7 LYS HA 1 38 ILE MD 1.800 . 4.320 3.521 2.978 4.283 . 0 0 "[ . 1 . 2]" 1
54 1 7 LYS HA 1 38 ILE MG 1.800 . 4.500 4.016 2.873 4.496 . 0 0 "[ . 1 . 2]" 1
55 1 7 LYS QB 1 7 LYS QE 1.800 . 4.210 2.954 2.022 3.660 . 0 0 "[ . 1 . 2]" 1
56 1 7 LYS QB 1 8 GLU HA 1.800 . 4.780 3.925 3.860 4.133 . 0 0 "[ . 1 . 2]" 1
57 1 7 LYS HB2 1 8 GLU H 1.800 . 4.050 2.836 2.568 3.816 . 0 0 "[ . 1 . 2]" 1
58 1 7 LYS HB2 1 26 PHE QE 1.800 . 5.180 4.579 4.043 5.299 0.119 15 0 "[ . 1 . 2]" 1
59 1 7 LYS HB3 1 8 GLU H 1.800 . 4.050 3.327 2.451 3.597 . 0 0 "[ . 1 . 2]" 1
60 1 7 LYS HB3 1 26 PHE QE 1.800 . 5.180 3.310 2.339 5.205 0.025 14 0 "[ . 1 . 2]" 1
61 1 7 LYS QD 1 26 PHE QD 1.800 . 4.010 3.089 2.286 4.144 0.134 5 0 "[ . 1 . 2]" 1
62 1 7 LYS QE 1 7 LYS QG 1.800 . 3.300 2.251 2.129 2.423 . 0 0 "[ . 1 . 2]" 1
63 1 7 LYS QG 1 26 PHE QE 1.800 . 5.140 3.224 2.517 3.947 . 0 0 "[ . 1 . 2]" 1
64 1 7 LYS QG 1 38 ILE MD 1.800 . 4.220 3.247 2.234 4.343 0.123 14 0 "[ . 1 . 2]" 1
65 1 7 LYS QG 1 38 ILE MG 1.800 . 5.000 3.420 2.745 4.667 . 0 0 "[ . 1 . 2]" 1
66 1 8 GLU H 1 8 GLU HB2 1.800 . 4.110 2.437 2.113 2.529 . 0 0 "[ . 1 . 2]" 1
67 1 8 GLU H 1 8 GLU HB3 1.800 . 4.110 3.092 2.544 3.612 . 0 0 "[ . 1 . 2]" 1
68 1 8 GLU H 1 8 GLU QG 1.800 . 4.110 3.183 2.167 4.072 . 0 0 "[ . 1 . 2]" 1
69 1 8 GLU H 1 9 LYS H 1.800 . 3.590 2.689 2.628 2.770 . 0 0 "[ . 1 . 2]" 1
70 1 8 GLU HA 1 8 GLU HG2 1.800 . 3.890 2.927 2.319 3.708 . 0 0 "[ . 1 . 2]" 1
71 1 8 GLU HA 1 8 GLU HG3 1.800 . 3.890 2.915 2.347 3.710 . 0 0 "[ . 1 . 2]" 1
72 1 8 GLU HA 1 11 THR H 1.800 . 4.120 3.571 3.467 3.731 . 0 0 "[ . 1 . 2]" 1
73 1 8 GLU HA 1 11 THR HB 1.800 . 3.500 2.851 2.675 3.204 . 0 0 "[ . 1 . 2]" 1
74 1 8 GLU HA 1 11 THR HG1 1.800 . 4.350 3.150 2.429 4.199 . 0 0 "[ . 1 . 2]" 1
75 1 8 GLU HA 1 11 THR MG 1.800 . 4.350 4.131 3.957 4.302 . 0 0 "[ . 1 . 2]" 1
76 1 8 GLU HB2 1 9 LYS H 1.800 . 4.670 3.205 2.457 3.886 . 0 0 "[ . 1 . 2]" 1
77 1 8 GLU HB3 1 9 LYS H 1.800 . 4.670 3.014 2.457 3.623 . 0 0 "[ . 1 . 2]" 1
78 1 9 LYS H 1 9 LYS HD2 1.800 . 4.930 4.121 3.905 4.805 . 0 0 "[ . 1 . 2]" 1
79 1 9 LYS H 1 9 LYS HD3 1.800 . 4.930 4.649 3.860 4.851 . 0 0 "[ . 1 . 2]" 1
80 1 9 LYS H 1 10 VAL H 1.800 . 3.690 2.697 2.643 2.730 . 0 0 "[ . 1 . 2]" 1
81 1 9 LYS H 1 10 VAL MG2 1.800 . 5.110 4.241 4.150 4.326 . 0 0 "[ . 1 . 2]" 1
82 1 9 LYS HA 1 9 LYS HG2 1.800 . 4.120 2.456 2.348 2.758 . 0 0 "[ . 1 . 2]" 1
83 1 9 LYS HA 1 9 LYS HG3 1.800 . 4.120 2.988 2.863 3.772 . 0 0 "[ . 1 . 2]" 1
84 1 9 LYS HA 1 12 LEU QB 1.800 . 5.000 2.912 2.727 3.329 . 0 0 "[ . 1 . 2]" 1
85 1 9 LYS HA 1 56 VAL MG2 1.800 . 5.400 4.476 3.921 5.081 . 0 0 "[ . 1 . 2]" 1
86 1 9 LYS HA 1 76 TYR QD 1.800 . 4.010 3.558 2.500 4.020 0.010 2 0 "[ . 1 . 2]" 1
87 1 9 LYS HA 1 76 TYR QE 1.800 . 3.730 2.458 2.312 2.684 . 0 0 "[ . 1 . 2]" 1
88 1 9 LYS QB 1 9 LYS QD 1.800 . 3.550 2.155 2.126 2.240 . 0 0 "[ . 1 . 2]" 1
89 1 9 LYS QB 1 10 VAL HA 1.800 . 5.230 3.890 3.855 3.920 . 0 0 "[ . 1 . 2]" 1
90 1 9 LYS QB 1 10 VAL MG2 1.800 . 4.770 3.088 2.946 3.254 . 0 0 "[ . 1 . 2]" 1
91 1 9 LYS QB 1 76 TYR QD 1.800 . 4.890 3.162 2.835 3.508 . 0 0 "[ . 1 . 2]" 1
92 1 9 LYS HB2 1 10 VAL H 1.800 . 5.180 2.560 2.433 2.623 . 0 0 "[ . 1 . 2]" 1
93 1 9 LYS HB2 1 56 VAL MG2 1.800 . 4.610 3.321 2.705 3.814 . 0 0 "[ . 1 . 2]" 1
94 1 9 LYS HB3 1 10 VAL H 1.800 . 5.180 3.520 3.466 3.573 . 0 0 "[ . 1 . 2]" 1
95 1 9 LYS HB3 1 56 VAL MG2 1.800 . 4.610 2.707 2.086 3.257 . 0 0 "[ . 1 . 2]" 1
96 1 9 LYS QD 1 56 VAL MG2 1.800 . 3.840 3.424 2.733 3.900 0.060 15 0 "[ . 1 . 2]" 1
97 1 9 LYS QE 1 9 LYS QG 1.800 . 3.180 2.232 2.132 2.334 . 0 0 "[ . 1 . 2]" 1
98 1 9 LYS QG 1 76 TYR QE 1.800 . 4.780 2.972 2.664 4.341 . 0 0 "[ . 1 . 2]" 1
99 1 10 VAL H 1 10 VAL HB 1.800 . 3.370 2.445 2.388 2.479 . 0 0 "[ . 1 . 2]" 1
100 1 10 VAL H 1 10 VAL MG1 1.800 . 4.440 3.760 3.745 3.770 . 0 0 "[ . 1 . 2]" 1
101 1 10 VAL H 1 10 VAL MG2 1.800 . 3.130 2.186 2.114 2.280 . 0 0 "[ . 1 . 2]" 1
102 1 10 VAL H 1 11 THR H 1.800 . 3.580 2.673 2.632 2.739 . 0 0 "[ . 1 . 2]" 1
103 1 10 VAL H 1 56 VAL MG2 1.800 . 4.390 3.924 3.345 4.445 0.055 5 0 "[ . 1 . 2]" 1
104 1 10 VAL HA 1 10 VAL MG1 1.800 . 3.230 2.375 2.354 2.424 . 0 0 "[ . 1 . 2]" 1
105 1 10 VAL HA 1 10 VAL MG2 1.800 . 3.250 2.348 2.256 2.385 . 0 0 "[ . 1 . 2]" 1
106 1 10 VAL HA 1 13 TYR H 1.800 . 4.120 3.505 3.372 3.660 . 0 0 "[ . 1 . 2]" 1
107 1 10 VAL HA 1 13 TYR QB 1.800 . 4.210 2.575 2.324 2.846 . 0 0 "[ . 1 . 2]" 1
108 1 10 VAL HA 1 14 LEU MD1 1.800 . 5.060 4.398 4.091 4.690 . 0 0 "[ . 1 . 2]" 1
109 1 10 VAL HA 1 52 ALA MB 1.800 . 5.500 4.457 3.937 5.353 . 0 0 "[ . 1 . 2]" 1
110 1 10 VAL HA 1 56 VAL MG1 1.800 . 4.520 3.671 2.724 4.341 . 0 0 "[ . 1 . 2]" 1
111 1 10 VAL HA 1 56 VAL MG2 1.800 . 3.430 3.068 2.731 3.443 0.013 1 0 "[ . 1 . 2]" 1
112 1 10 VAL HB 1 11 THR H 1.800 . 3.570 2.553 2.504 2.614 . 0 0 "[ . 1 . 2]" 1
113 1 10 VAL HB 1 24 VAL MG2 1.800 . 5.500 4.780 4.298 5.464 . 0 0 "[ . 1 . 2]" 1
114 1 10 VAL HB 1 26 PHE QE 1.800 . 3.850 3.380 2.341 3.904 0.054 16 0 "[ . 1 . 2]" 1
115 1 10 VAL HB 1 38 ILE MG 1.800 . 5.500 4.496 2.826 5.365 . 0 0 "[ . 1 . 2]" 1
116 1 10 VAL HB 1 56 VAL MG2 1.800 . 5.500 4.876 4.301 5.496 . 0 0 "[ . 1 . 2]" 1
117 1 10 VAL MG1 1 11 THR H 1.800 . 3.890 3.298 3.203 3.387 . 0 0 "[ . 1 . 2]" 1
118 1 10 VAL MG1 1 11 THR HA 1.800 . 4.560 3.362 3.268 3.443 . 0 0 "[ . 1 . 2]" 1
119 1 10 VAL MG1 1 14 LEU H 1.800 . 5.000 3.894 3.681 4.097 . 0 0 "[ . 1 . 2]" 1
120 1 10 VAL MG1 1 14 LEU MD1 1.800 . 3.170 2.157 1.923 2.446 . 0 0 "[ . 1 . 2]" 1
121 1 10 VAL MG1 1 14 LEU MD2 1.800 . 4.330 3.505 3.152 3.947 . 0 0 "[ . 1 . 2]" 1
122 1 10 VAL MG1 1 14 LEU HG 1.800 . 3.700 2.806 2.492 3.212 . 0 0 "[ . 1 . 2]" 1
123 1 10 VAL MG1 1 26 PHE QE 1.800 . 3.450 2.599 2.153 3.141 . 0 0 "[ . 1 . 2]" 1
124 1 10 VAL MG1 1 26 PHE HZ 1.800 . 4.050 3.108 2.236 3.617 . 0 0 "[ . 1 . 2]" 1
125 1 10 VAL MG1 1 52 ALA MB 1.800 . 3.620 2.959 2.424 3.661 0.041 4 0 "[ . 1 . 2]" 1
126 1 10 VAL MG2 1 11 THR H 1.800 . 4.620 3.873 3.831 3.932 . 0 0 "[ . 1 . 2]" 1
127 1 10 VAL MG2 1 26 PHE QE 1.800 . 4.440 3.630 2.621 4.294 . 0 0 "[ . 1 . 2]" 1
128 1 10 VAL MG2 1 38 ILE HB 1.800 . 4.200 3.573 2.320 4.096 . 0 0 "[ . 1 . 2]" 1
129 1 10 VAL MG2 1 52 ALA MB 1.800 . 2.960 2.492 2.029 3.026 0.066 13 0 "[ . 1 . 2]" 1
130 1 10 VAL MG2 1 56 VAL MG1 1.800 . 4.390 3.522 2.728 4.227 . 0 0 "[ . 1 . 2]" 1
131 1 10 VAL MG2 1 56 VAL MG2 1.800 . 3.150 2.616 2.087 3.159 0.009 1 0 "[ . 1 . 2]" 1
132 1 11 THR H 1 11 THR HB 1.800 . 3.450 2.557 2.483 2.741 . 0 0 "[ . 1 . 2]" 1
133 1 11 THR H 1 11 THR HG1 1.800 . 3.520 2.484 1.886 3.322 . 0 0 "[ . 1 . 2]" 1
134 1 11 THR H 1 11 THR MG 1.800 . 4.100 3.761 3.742 3.775 . 0 0 "[ . 1 . 2]" 1
135 1 11 THR H 1 12 LEU H 1.800 . 3.550 2.749 2.695 2.849 . 0 0 "[ . 1 . 2]" 1
136 1 11 THR H 1 12 LEU QB 1.800 . 4.650 4.498 4.428 4.609 . 0 0 "[ . 1 . 2]" 1
137 1 11 THR H 1 14 LEU MD1 1.800 . 4.900 4.318 3.978 4.679 . 0 0 "[ . 1 . 2]" 1
138 1 11 THR HA 1 11 THR MG 1.800 . 3.230 2.327 2.254 2.358 . 0 0 "[ . 1 . 2]" 1
139 1 11 THR HA 1 14 LEU H 1.800 . 4.500 3.615 3.526 3.742 . 0 0 "[ . 1 . 2]" 1
140 1 11 THR HA 1 14 LEU QB 1.800 . 4.470 2.852 2.634 3.170 . 0 0 "[ . 1 . 2]" 1
141 1 11 THR HA 1 14 LEU MD1 1.800 . 3.820 2.644 2.263 3.139 . 0 0 "[ . 1 . 2]" 1
142 1 11 THR HA 1 14 LEU HG 1.800 . 5.240 4.000 3.764 4.268 . 0 0 "[ . 1 . 2]" 1
143 1 11 THR HA 1 15 LYS H 1.800 . 5.000 4.113 3.927 4.344 . 0 0 "[ . 1 . 2]" 1
144 1 11 THR HA 1 24 VAL MG1 1.800 . 4.350 3.367 2.873 3.912 . 0 0 "[ . 1 . 2]" 1
145 1 11 THR HB 1 12 LEU H 1.800 . 3.530 2.465 2.388 2.540 . 0 0 "[ . 1 . 2]" 1
146 1 11 THR HG1 1 11 THR MG 1.800 . 4.040 2.803 2.226 3.041 . 0 0 "[ . 1 . 2]" 1
147 1 11 THR HG1 1 12 LEU H 1.800 . 4.670 4.185 3.710 4.638 . 0 0 "[ . 1 . 2]" 1
148 1 11 THR MG 1 12 LEU H 1.800 . 4.000 3.390 3.263 3.628 . 0 0 "[ . 1 . 2]" 1
149 1 11 THR MG 1 12 LEU HA 1.800 . 4.430 3.504 3.374 3.801 . 0 0 "[ . 1 . 2]" 1
150 1 11 THR MG 1 14 LEU MD1 1.800 . 4.400 4.021 3.713 4.337 . 0 0 "[ . 1 . 2]" 1
151 1 11 THR MG 1 15 LYS H 1.800 . 5.000 4.089 3.857 4.286 . 0 0 "[ . 1 . 2]" 1
152 1 11 THR MG 1 15 LYS QE 1.800 . 5.300 4.172 2.050 5.411 0.111 3 0 "[ . 1 . 2]" 1
153 1 11 THR MG 1 21 PHE QE 1.800 . 3.540 2.946 2.081 3.554 0.014 14 0 "[ . 1 . 2]" 1
154 1 11 THR MG 1 21 PHE HZ 1.800 . 3.920 2.733 2.249 3.410 . 0 0 "[ . 1 . 2]" 1
155 1 11 THR MG 1 24 VAL MG1 1.800 . 3.470 2.573 2.142 3.141 . 0 0 "[ . 1 . 2]" 1
156 1 11 THR MG 1 26 PHE QE 1.800 . 4.850 4.659 3.952 4.951 0.101 3 0 "[ . 1 . 2]" 1
157 1 12 LEU H 1 12 LEU QB 1.800 . 2.990 2.251 2.157 2.278 . 0 0 "[ . 1 . 2]" 1
158 1 12 LEU H 1 12 LEU MD1 1.800 . 4.170 3.909 2.193 4.077 . 0 0 "[ . 1 . 2]" 1
159 1 12 LEU H 1 12 LEU MD2 1.800 . 4.530 4.292 3.920 4.376 . 0 0 "[ . 1 . 2]" 1
160 1 12 LEU H 1 12 LEU HG 1.800 . 4.570 4.441 3.954 4.494 . 0 0 "[ . 1 . 2]" 1
161 1 12 LEU H 1 13 TYR H 1.800 . 3.910 2.676 2.608 2.745 . 0 0 "[ . 1 . 2]" 1
162 1 12 LEU HA 1 12 LEU MD1 1.800 . 3.220 2.144 2.065 2.418 . 0 0 "[ . 1 . 2]" 1
163 1 12 LEU HA 1 12 LEU MD2 1.800 . 3.880 3.807 3.726 3.862 . 0 0 "[ . 1 . 2]" 1
164 1 12 LEU HA 1 12 LEU HG 1.800 . 4.030 2.941 2.329 3.212 . 0 0 "[ . 1 . 2]" 1
165 1 12 LEU HA 1 15 LYS H 1.800 . 4.580 3.525 3.218 3.734 . 0 0 "[ . 1 . 2]" 1
166 1 12 LEU HA 1 15 LYS QB 1.800 . 4.620 2.792 2.206 4.105 . 0 0 "[ . 1 . 2]" 1
167 1 12 LEU HA 1 15 LYS QD 1.800 . 4.380 3.208 2.273 4.125 . 0 0 "[ . 1 . 2]" 1
168 1 12 LEU HA 1 16 HIS HD2 1.800 . 4.580 4.163 2.946 4.654 0.074 15 0 "[ . 1 . 2]" 1
169 1 12 LEU QB 1 12 LEU MD1 1.800 . 3.230 2.248 2.168 2.315 . 0 0 "[ . 1 . 2]" 1
170 1 12 LEU QB 1 12 LEU MD2 1.800 . 3.210 2.103 2.079 2.122 . 0 0 "[ . 1 . 2]" 1
171 1 12 LEU QB 1 13 TYR H 1.800 . 3.600 2.501 2.436 2.629 . 0 0 "[ . 1 . 2]" 1
172 1 12 LEU QB 1 13 TYR HA 1.800 . 4.800 4.085 3.832 4.205 . 0 0 "[ . 1 . 2]" 1
173 1 12 LEU QB 1 76 TYR QD 1.800 . 4.890 3.665 2.585 4.173 . 0 0 "[ . 1 . 2]" 1
174 1 12 LEU QB 1 76 TYR QE 1.800 . 3.900 2.599 2.183 2.988 . 0 0 "[ . 1 . 2]" 1
175 1 12 LEU QB 1 79 ILE MD 1.800 . 4.400 3.445 2.192 4.427 0.027 9 0 "[ . 1 . 2]" 1
176 1 12 LEU MD1 1 13 TYR H 1.800 . 5.250 4.456 4.135 4.793 . 0 0 "[ . 1 . 2]" 1
177 1 12 LEU MD1 1 15 LYS QD 1.800 . 5.000 2.988 2.244 4.063 . 0 0 "[ . 1 . 2]" 1
178 1 12 LEU MD1 1 16 HIS HD2 1.800 . 4.210 3.050 2.268 4.347 0.137 5 0 "[ . 1 . 2]" 1
179 1 12 LEU MD1 1 76 TYR QE 1.800 . 4.730 4.512 3.607 4.841 0.111 17 0 "[ . 1 . 2]" 1
180 1 12 LEU MD2 1 13 TYR H 1.800 . 4.740 4.295 4.058 4.685 . 0 0 "[ . 1 . 2]" 1
181 1 12 LEU MD2 1 16 HIS QB 1.800 . 5.500 5.142 4.720 5.523 0.023 17 0 "[ . 1 . 2]" 1
182 1 12 LEU MD2 1 76 TYR QD 1.800 . 4.290 3.665 2.958 4.138 . 0 0 "[ . 1 . 2]" 1
183 1 12 LEU MD2 1 76 TYR QE 1.800 . 3.530 2.275 2.078 2.774 . 0 0 "[ . 1 . 2]" 1
184 1 12 LEU MD2 1 79 ILE HB 1.800 . 5.120 4.463 3.655 5.178 0.058 9 0 "[ . 1 . 2]" 1
185 1 12 LEU MD2 1 79 ILE MD 1.800 . 4.000 2.738 2.310 3.180 . 0 0 "[ . 1 . 2]" 1
186 1 12 LEU MD2 1 80 LEU HA 1.800 . 4.500 4.170 3.158 4.614 0.114 12 0 "[ . 1 . 2]" 1
187 1 12 LEU HG 1 16 HIS HD2 1.800 . 4.370 2.656 2.305 3.806 . 0 0 "[ . 1 . 2]" 1
188 1 12 LEU HG 1 76 TYR QE 1.800 . 5.250 4.116 3.616 4.982 . 0 0 "[ . 1 . 2]" 1
189 1 12 LEU HG 1 79 ILE MD 1.800 . 3.850 2.814 2.252 3.903 0.053 5 0 "[ . 1 . 2]" 1
190 1 13 TYR H 1 13 TYR HB2 1.800 . 3.460 2.624 2.528 2.697 . 0 0 "[ . 1 . 2]" 1
191 1 13 TYR H 1 13 TYR HB3 1.800 . 3.460 2.454 2.384 2.562 . 0 0 "[ . 1 . 2]" 1
192 1 13 TYR H 1 13 TYR QD 1.800 . 4.600 4.185 4.163 4.197 . 0 0 "[ . 1 . 2]" 1
193 1 13 TYR H 1 14 LEU H 1.800 . 3.650 2.742 2.600 2.810 . 0 0 "[ . 1 . 2]" 1
194 1 13 TYR H 1 56 VAL MG2 1.800 . 5.200 4.706 4.283 5.261 0.061 11 0 "[ . 1 . 2]" 1
195 1 13 TYR H 1 76 TYR QD 1.800 . 4.780 4.095 3.535 4.394 . 0 0 "[ . 1 . 2]" 1
196 1 13 TYR H 1 79 ILE MD 1.800 . 5.440 3.827 3.176 5.068 . 0 0 "[ . 1 . 2]" 1
197 1 13 TYR HA 1 13 TYR QD 1.800 . 4.080 2.760 2.491 3.032 . 0 0 "[ . 1 . 2]" 1
198 1 13 TYR HA 1 16 HIS H 1.800 . 5.000 3.739 3.486 4.171 . 0 0 "[ . 1 . 2]" 1
199 1 13 TYR HA 1 17 ASN H 1.800 . 5.000 4.246 3.938 4.448 . 0 0 "[ . 1 . 2]" 1
200 1 13 TYR HA 1 17 ASN QD 1.800 . 5.000 4.023 2.578 5.052 0.052 2 0 "[ . 1 . 2]" 1
201 1 13 TYR HA 1 76 TYR QD 1.800 . 5.500 4.480 3.880 4.798 . 0 0 "[ . 1 . 2]" 1
202 1 13 TYR HA 1 79 ILE MD 1.800 . 4.510 2.447 2.058 3.304 . 0 0 "[ . 1 . 2]" 1
203 1 13 TYR HA 1 79 ILE MG 1.800 . 4.000 3.607 2.595 4.072 0.072 1 0 "[ . 1 . 2]" 1
204 1 13 TYR QB 1 14 LEU H 1.800 . 3.600 2.451 2.331 2.594 . 0 0 "[ . 1 . 2]" 1
205 1 13 TYR QB 1 56 VAL HB 1.800 . 5.340 4.822 4.303 5.380 0.040 16 0 "[ . 1 . 2]" 1
206 1 13 TYR QB 1 56 VAL MG1 1.800 . 3.850 2.917 2.250 3.611 . 0 0 "[ . 1 . 2]" 1
207 1 13 TYR QB 1 56 VAL MG2 1.800 . 3.780 3.123 2.497 3.756 . 0 0 "[ . 1 . 2]" 1
208 1 13 TYR HB2 1 14 LEU H 1.800 . 4.280 3.855 3.734 3.956 . 0 0 "[ . 1 . 2]" 1
209 1 13 TYR HB2 1 56 VAL MG1 1.800 . 4.590 3.139 2.330 4.066 . 0 0 "[ . 1 . 2]" 1
210 1 13 TYR HB3 1 14 LEU H 1.800 . 4.280 2.480 2.355 2.629 . 0 0 "[ . 1 . 2]" 1
211 1 13 TYR HB3 1 56 VAL MG1 1.800 . 4.590 3.508 2.744 4.207 . 0 0 "[ . 1 . 2]" 1
212 1 13 TYR QD 1 14 LEU H 1.800 . 4.420 3.129 2.887 3.445 . 0 0 "[ . 1 . 2]" 1
213 1 13 TYR QD 1 14 LEU HA 1.800 . 4.760 3.165 2.722 3.660 . 0 0 "[ . 1 . 2]" 1
214 1 13 TYR QD 1 14 LEU MD2 1.800 . 4.100 2.597 2.315 3.189 . 0 0 "[ . 1 . 2]" 1
215 1 13 TYR QD 1 14 LEU HG 1.800 . 4.460 2.649 2.346 3.069 . 0 0 "[ . 1 . 2]" 1
216 1 13 TYR QD 1 56 VAL MG1 1.800 . 4.350 3.070 2.462 3.750 . 0 0 "[ . 1 . 2]" 1
217 1 13 TYR QD 1 75 GLY QA 1.800 . 5.000 4.550 3.736 5.061 0.061 13 0 "[ . 1 . 2]" 1
218 1 13 TYR QD 1 76 TYR H 1.800 . 5.000 4.770 3.925 5.076 0.076 3 0 "[ . 1 . 2]" 1
219 1 13 TYR QD 1 76 TYR HA 1.800 . 4.820 3.582 2.661 4.153 . 0 0 "[ . 1 . 2]" 1
220 1 13 TYR QD 1 79 ILE MG 1.800 . 4.200 3.229 2.491 4.180 . 0 0 "[ . 1 . 2]" 1
221 1 14 LEU H 1 14 LEU HB2 1.800 . 4.140 2.410 2.305 2.456 . 0 0 "[ . 1 . 2]" 1
222 1 14 LEU H 1 14 LEU HB3 1.800 . 4.140 3.599 3.566 3.619 . 0 0 "[ . 1 . 2]" 1
223 1 14 LEU H 1 14 LEU MD1 1.800 . 3.950 3.437 3.351 3.515 . 0 0 "[ . 1 . 2]" 1
224 1 14 LEU H 1 14 LEU MD2 1.800 . 4.030 3.568 3.490 3.802 . 0 0 "[ . 1 . 2]" 1
225 1 14 LEU H 1 14 LEU HG 1.800 . 3.270 2.272 2.182 2.472 . 0 0 "[ . 1 . 2]" 1
226 1 14 LEU H 1 15 LYS H 1.800 . 3.820 2.685 2.469 2.810 . 0 0 "[ . 1 . 2]" 1
227 1 14 LEU HA 1 14 LEU MD1 1.800 . 5.330 3.826 3.801 3.838 . 0 0 "[ . 1 . 2]" 1
228 1 14 LEU HA 1 14 LEU MD2 1.800 . 3.150 2.160 2.134 2.197 . 0 0 "[ . 1 . 2]" 1
229 1 14 LEU HA 1 14 LEU HG 1.800 . 4.060 2.831 2.655 2.908 . 0 0 "[ . 1 . 2]" 1
230 1 14 LEU HA 1 17 ASN H 1.800 . 4.460 3.479 3.315 3.688 . 0 0 "[ . 1 . 2]" 1
231 1 14 LEU HA 1 17 ASN QB 1.800 . 4.790 2.751 2.241 3.496 . 0 0 "[ . 1 . 2]" 1
232 1 14 LEU HA 1 18 ILE H 1.800 . 5.000 4.007 3.366 4.415 . 0 0 "[ . 1 . 2]" 1
233 1 14 LEU HA 1 18 ILE MD 1.800 . 3.840 3.333 2.968 3.860 0.020 13 0 "[ . 1 . 2]" 1
234 1 14 LEU QB 1 18 ILE HB 1.800 . 5.330 3.647 3.175 4.442 . 0 0 "[ . 1 . 2]" 1
235 1 14 LEU QB 1 18 ILE MD 1.800 . 4.380 2.737 2.275 3.449 . 0 0 "[ . 1 . 2]" 1
236 1 14 LEU QB 1 21 PHE QD 1.800 . 5.000 2.851 2.286 3.846 . 0 0 "[ . 1 . 2]" 1
237 1 14 LEU QB 1 21 PHE QE 1.800 . 4.780 3.203 2.456 4.239 . 0 0 "[ . 1 . 2]" 1
238 1 14 LEU HB2 1 14 LEU MD1 1.800 . 3.700 2.298 2.246 2.338 . 0 0 "[ . 1 . 2]" 1
239 1 14 LEU HB2 1 14 LEU MD2 1.800 . 3.980 3.209 3.194 3.220 . 0 0 "[ . 1 . 2]" 1
240 1 14 LEU HB2 1 15 LYS H 1.800 . 3.880 2.607 2.507 2.998 . 0 0 "[ . 1 . 2]" 1
241 1 14 LEU HB3 1 14 LEU MD1 1.800 . 3.700 2.451 2.412 2.515 . 0 0 "[ . 1 . 2]" 1
242 1 14 LEU HB3 1 14 LEU MD2 1.800 . 3.980 2.230 2.187 2.264 . 0 0 "[ . 1 . 2]" 1
243 1 14 LEU HB3 1 15 LYS H 1.800 . 3.880 3.545 3.266 3.943 0.063 19 0 "[ . 1 . 2]" 1
244 1 14 LEU MD1 1 15 LYS H 1.800 . 4.900 4.466 4.388 4.757 . 0 0 "[ . 1 . 2]" 1
245 1 14 LEU MD1 1 21 PHE QD 1.800 . 4.930 3.861 3.058 4.511 . 0 0 "[ . 1 . 2]" 1
246 1 14 LEU MD1 1 21 PHE QE 1.800 . 3.940 3.021 2.310 3.984 0.044 4 0 "[ . 1 . 2]" 1
247 1 14 LEU MD1 1 24 VAL HB 1.800 . 4.200 3.353 2.553 4.028 . 0 0 "[ . 1 . 2]" 1
248 1 14 LEU MD1 1 26 PHE QE 1.800 . 4.590 4.024 3.344 4.599 0.009 16 0 "[ . 1 . 2]" 1
249 1 14 LEU MD1 1 26 PHE HZ 1.800 . 4.250 4.038 3.492 4.316 0.066 17 0 "[ . 1 . 2]" 1
250 1 14 LEU MD1 1 42 ILE MG 1.800 . 4.000 2.455 1.908 2.958 . 0 0 "[ . 1 . 2]" 1
251 1 14 LEU MD2 1 18 ILE MD 1.800 . 3.800 2.252 2.037 2.981 . 0 0 "[ . 1 . 2]" 1
252 1 14 LEU MD2 1 42 ILE MD 1.800 . 4.790 3.346 2.340 3.986 . 0 0 "[ . 1 . 2]" 1
253 1 14 LEU MD2 1 42 ILE MG 1.800 . 4.000 3.311 2.403 3.983 . 0 0 "[ . 1 . 2]" 1
254 1 14 LEU MD2 1 65 LEU MD2 1.800 . 4.540 3.269 2.859 3.957 . 0 0 "[ . 1 . 2]" 1
255 1 14 LEU HG 1 15 LYS H 1.800 . 5.250 4.367 4.292 4.534 . 0 0 "[ . 1 . 2]" 1
256 1 15 LYS H 1 15 LYS HB2 1.800 . 3.600 2.546 2.295 3.610 0.010 18 0 "[ . 1 . 2]" 1
257 1 15 LYS H 1 15 LYS HB3 1.800 . 3.600 2.894 2.580 3.609 0.009 15 0 "[ . 1 . 2]" 1
258 1 15 LYS H 1 16 HIS H 1.800 . 3.350 2.770 2.596 3.109 . 0 0 "[ . 1 . 2]" 1
259 1 15 LYS HA 1 15 LYS QG 1.800 . 3.640 2.406 2.225 3.294 . 0 0 "[ . 1 . 2]" 1
260 1 15 LYS HA 1 17 ASN H 1.800 . 5.500 4.485 4.105 4.771 . 0 0 "[ . 1 . 2]" 1
261 1 15 LYS HA 1 18 ILE H 1.800 . 4.670 3.581 3.205 4.075 . 0 0 "[ . 1 . 2]" 1
262 1 15 LYS HA 1 21 PHE QB 1.800 . 3.670 2.291 2.068 2.780 . 0 0 "[ . 1 . 2]" 1
263 1 15 LYS HA 1 21 PHE QD 1.800 . 4.000 3.371 2.930 4.013 0.013 10 0 "[ . 1 . 2]" 1
264 1 15 LYS QB 1 15 LYS QE 1.800 . 3.810 3.392 2.153 3.664 . 0 0 "[ . 1 . 2]" 1
265 1 15 LYS QB 1 16 HIS H 1.800 . 3.770 2.560 2.230 3.524 . 0 0 "[ . 1 . 2]" 1
266 1 15 LYS QB 1 21 PHE QD 1.800 . 4.580 3.756 2.295 4.572 . 0 0 "[ . 1 . 2]" 1
267 1 15 LYS HB2 1 16 HIS H 1.800 . 4.370 3.463 2.318 3.839 . 0 0 "[ . 1 . 2]" 1
268 1 15 LYS HB3 1 16 HIS H 1.800 . 4.370 2.866 2.386 4.102 . 0 0 "[ . 1 . 2]" 1
269 1 15 LYS QE 1 15 LYS QG 1.800 . 3.250 2.266 2.128 2.878 . 0 0 "[ . 1 . 2]" 1
270 1 15 LYS QG 1 21 PHE QB 1.800 . 5.190 2.877 2.263 4.605 . 0 0 "[ . 1 . 2]" 1
271 1 15 LYS QG 1 21 PHE QD 1.800 . 5.240 3.143 2.281 4.958 . 0 0 "[ . 1 . 2]" 1
272 1 15 LYS QG 1 21 PHE QE 1.800 . 5.340 4.404 3.231 5.354 0.014 18 0 "[ . 1 . 2]" 1
273 1 16 HIS H 1 16 HIS HB2 1.800 . 3.880 2.462 2.191 3.641 . 0 0 "[ . 1 . 2]" 1
274 1 16 HIS H 1 16 HIS HB3 1.800 . 3.880 3.476 2.406 3.610 . 0 0 "[ . 1 . 2]" 1
275 1 16 HIS H 1 16 HIS HD2 1.800 . 4.480 3.242 2.293 3.985 . 0 0 "[ . 1 . 2]" 1
276 1 16 HIS H 1 17 ASN H 1.800 . 3.430 2.585 2.371 2.694 . 0 0 "[ . 1 . 2]" 1
277 1 16 HIS H 1 18 ILE H 1.800 . 5.040 3.841 3.613 4.209 . 0 0 "[ . 1 . 2]" 1
278 1 16 HIS HB2 1 79 ILE MD 1.800 . 4.700 3.465 2.469 4.764 0.064 19 0 "[ . 1 . 2]" 1
279 1 16 HIS HB2 1 79 ILE MG 1.800 . 4.500 3.471 2.418 4.486 . 0 0 "[ . 1 . 2]" 1
280 1 16 HIS HB3 1 79 ILE MD 1.800 . 4.500 4.058 2.234 4.520 0.020 6 0 "[ . 1 . 2]" 1
281 1 16 HIS HB3 1 79 ILE MG 1.800 . 4.700 3.541 2.737 4.818 0.118 9 0 "[ . 1 . 2]" 1
282 1 16 HIS HD2 1 79 ILE MD 1.800 . 5.080 2.769 2.118 4.724 . 0 0 "[ . 1 . 2]" 1
283 1 16 HIS HD2 1 79 ILE MG 1.800 . 5.080 4.122 3.077 5.163 0.083 8 0 "[ . 1 . 2]" 1
284 1 17 ASN H 1 17 ASN HB2 1.800 . 4.150 2.402 2.253 2.584 . 0 0 "[ . 1 . 2]" 1
285 1 17 ASN H 1 17 ASN HB3 1.800 . 4.150 3.631 3.554 3.702 . 0 0 "[ . 1 . 2]" 1
286 1 17 ASN H 1 17 ASN QD 1.800 . 4.710 3.264 2.425 4.273 . 0 0 "[ . 1 . 2]" 1
287 1 17 ASN H 1 18 ILE H 1.800 . 3.180 2.404 2.074 2.692 . 0 0 "[ . 1 . 2]" 1
288 1 17 ASN H 1 18 ILE HB 1.800 . 5.400 4.787 4.562 5.213 . 0 0 "[ . 1 . 2]" 1
289 1 17 ASN H 1 18 ILE MD 1.800 . 5.500 5.104 4.868 5.525 0.025 15 0 "[ . 1 . 2]" 1
290 1 17 ASN H 1 18 ILE QG 1.800 . 4.760 3.838 3.520 4.593 . 0 0 "[ . 1 . 2]" 1
291 1 17 ASN QB 1 18 ILE H 1.800 . 3.920 3.086 2.529 3.346 . 0 0 "[ . 1 . 2]" 1
292 1 17 ASN QB 1 18 ILE MD 1.800 . 4.750 3.693 3.484 3.840 . 0 0 "[ . 1 . 2]" 1
293 1 17 ASN QB 1 18 ILE QG 1.800 . 4.710 2.534 2.443 2.652 . 0 0 "[ . 1 . 2]" 1
294 1 17 ASN QB 1 69 PHE QD 1.800 . 4.200 2.713 2.284 3.363 . 0 0 "[ . 1 . 2]" 1
295 1 17 ASN HB2 1 18 ILE H 1.800 . 4.560 3.215 2.590 3.502 . 0 0 "[ . 1 . 2]" 1
296 1 17 ASN HB2 1 69 PHE QD 1.800 . 4.600 4.091 3.430 4.646 0.046 15 0 "[ . 1 . 2]" 1
297 1 17 ASN HB3 1 18 ILE H 1.800 . 4.560 3.990 3.382 4.267 . 0 0 "[ . 1 . 2]" 1
298 1 17 ASN HB3 1 69 PHE QD 1.800 . 4.600 2.758 2.301 3.456 . 0 0 "[ . 1 . 2]" 1
299 1 17 ASN QD 1 74 LYS H 1.800 . 5.000 3.781 2.550 5.175 0.175 4 0 "[ . 1 . 2]" 1
300 1 17 ASN HD21 1 79 ILE MG 1.800 . 5.000 4.686 3.691 5.116 0.116 9 0 "[ . 1 . 2]" 1
301 1 17 ASN HD22 1 79 ILE MG 1.800 . 5.000 3.758 2.607 4.746 . 0 0 "[ . 1 . 2]" 1
302 1 18 ILE H 1 18 ILE HB 1.800 . 3.370 2.844 2.563 2.989 . 0 0 "[ . 1 . 2]" 1
303 1 18 ILE H 1 18 ILE MD 1.800 . 4.280 4.087 3.659 4.369 0.089 3 0 "[ . 1 . 2]" 1
304 1 18 ILE H 1 18 ILE HG12 1.800 . 4.250 3.849 3.646 4.097 . 0 0 "[ . 1 . 2]" 1
305 1 18 ILE H 1 18 ILE HG13 1.800 . 3.610 2.793 2.402 3.018 . 0 0 "[ . 1 . 2]" 1
306 1 18 ILE H 1 18 ILE MG 1.800 . 4.810 3.945 3.832 3.997 . 0 0 "[ . 1 . 2]" 1
307 1 18 ILE H 1 19 PRO QD 1.800 . 4.540 3.491 3.055 4.181 . 0 0 "[ . 1 . 2]" 1
308 1 18 ILE H 1 19 PRO HD3 1.800 . 5.340 3.646 3.113 4.528 . 0 0 "[ . 1 . 2]" 1
309 1 18 ILE H 1 21 PHE QB 1.800 . 4.650 4.083 3.633 4.545 . 0 0 "[ . 1 . 2]" 1
310 1 18 ILE HA 1 18 ILE MD 1.800 . 4.750 3.801 3.748 3.849 . 0 0 "[ . 1 . 2]" 1
311 1 18 ILE HA 1 18 ILE MG 1.800 . 3.650 2.289 2.241 2.331 . 0 0 "[ . 1 . 2]" 1
312 1 18 ILE HA 1 19 PRO HD2 1.800 . 3.560 2.252 2.107 2.444 . 0 0 "[ . 1 . 2]" 1
313 1 18 ILE HA 1 19 PRO HD3 1.800 . 3.560 2.439 2.348 2.658 . 0 0 "[ . 1 . 2]" 1
314 1 18 ILE HA 1 19 PRO HG2 1.800 . 4.980 4.446 4.308 4.606 . 0 0 "[ . 1 . 2]" 1
315 1 18 ILE HA 1 19 PRO HG3 1.800 . 4.980 4.527 4.419 4.606 . 0 0 "[ . 1 . 2]" 1
316 1 18 ILE HA 1 68 MET ME 1.800 . 5.340 4.701 4.215 5.318 . 0 0 "[ . 1 . 2]" 1
317 1 18 ILE HB 1 18 ILE MD 1.800 . 3.540 2.342 2.271 2.401 . 0 0 "[ . 1 . 2]" 1
318 1 18 ILE HB 1 21 PHE H 1.800 . 4.520 3.571 3.248 3.836 . 0 0 "[ . 1 . 2]" 1
319 1 18 ILE MD 1 18 ILE MG 1.800 . 3.110 1.944 1.838 2.036 . 0 0 "[ . 1 . 2]" 1
320 1 18 ILE MD 1 21 PHE QB 1.800 . 4.730 3.678 3.427 4.243 . 0 0 "[ . 1 . 2]" 1
321 1 18 ILE MD 1 21 PHE QD 1.800 . 4.000 3.339 2.760 3.989 . 0 0 "[ . 1 . 2]" 1
322 1 18 ILE MD 1 42 ILE MD 1.800 . 4.000 2.173 1.876 2.661 . 0 0 "[ . 1 . 2]" 1
323 1 18 ILE MD 1 42 ILE MG 1.800 . 4.000 3.390 2.911 3.869 . 0 0 "[ . 1 . 2]" 1
324 1 18 ILE MD 1 65 LEU MD1 1.800 . 3.140 2.302 1.957 2.869 . 0 0 "[ . 1 . 2]" 1
325 1 18 ILE MD 1 65 LEU MD2 1.800 . 4.480 3.344 2.788 3.806 . 0 0 "[ . 1 . 2]" 1
326 1 18 ILE MD 1 68 MET HB2 1.800 . 4.850 3.462 2.416 4.659 . 0 0 "[ . 1 . 2]" 1
327 1 18 ILE MD 1 68 MET HB3 1.800 . 4.850 3.409 2.442 4.503 . 0 0 "[ . 1 . 2]" 1
328 1 18 ILE MD 1 69 PHE HA 1.800 . 5.000 4.318 3.787 4.968 . 0 0 "[ . 1 . 2]" 1
329 1 18 ILE MD 1 69 PHE QD 1.800 . 5.160 3.706 2.633 4.886 . 0 0 "[ . 1 . 2]" 1
330 1 18 ILE QG 1 69 PHE QD 1.800 . 5.500 3.474 2.502 4.192 . 0 0 "[ . 1 . 2]" 1
331 1 18 ILE HG12 1 18 ILE MG 1.800 . 3.740 2.340 2.286 2.407 . 0 0 "[ . 1 . 2]" 1
332 1 18 ILE HG12 1 69 PHE HA 1.800 . 4.000 3.066 2.327 3.636 . 0 0 "[ . 1 . 2]" 1
333 1 18 ILE HG13 1 69 PHE HA 1.800 . 5.480 4.211 3.108 4.914 . 0 0 "[ . 1 . 2]" 1
334 1 18 ILE MG 1 19 PRO HD2 1.800 . 4.640 3.189 2.348 3.678 . 0 0 "[ . 1 . 2]" 1
335 1 18 ILE MG 1 19 PRO HD3 1.800 . 4.640 4.035 3.594 4.223 . 0 0 "[ . 1 . 2]" 1
336 1 18 ILE MG 1 20 ASP H 1.800 . 3.410 2.349 1.918 2.651 . 0 0 "[ . 1 . 2]" 1
337 1 18 ILE MG 1 20 ASP HB2 1.800 . 4.590 2.854 2.389 3.738 . 0 0 "[ . 1 . 2]" 1
338 1 18 ILE MG 1 20 ASP HB3 1.800 . 4.590 3.772 2.501 4.208 . 0 0 "[ . 1 . 2]" 1
339 1 18 ILE MG 1 21 PHE H 1.800 . 4.000 2.585 2.154 3.260 . 0 0 "[ . 1 . 2]" 1
340 1 18 ILE MG 1 21 PHE HA 1.800 . 4.400 3.041 2.602 3.641 . 0 0 "[ . 1 . 2]" 1
341 1 18 ILE MG 1 21 PHE QB 1.800 . 4.000 2.988 2.611 3.617 . 0 0 "[ . 1 . 2]" 1
342 1 18 ILE MG 1 21 PHE QD 1.800 . 4.700 3.801 3.371 4.458 . 0 0 "[ . 1 . 2]" 1
343 1 18 ILE MG 1 42 ILE MD 1.800 . 3.490 2.702 2.265 3.185 . 0 0 "[ . 1 . 2]" 1
344 1 18 ILE MG 1 65 LEU MD1 1.800 . 4.100 3.569 2.922 4.124 0.024 13 0 "[ . 1 . 2]" 1
345 1 18 ILE MG 1 68 MET HA 1.800 . 5.000 4.440 3.750 5.039 0.039 9 0 "[ . 1 . 2]" 1
346 1 18 ILE MG 1 68 MET HB2 1.800 . 4.000 3.709 2.823 4.082 0.082 13 0 "[ . 1 . 2]" 1
347 1 18 ILE MG 1 68 MET HB3 1.800 . 4.000 2.605 2.150 3.073 . 0 0 "[ . 1 . 2]" 1
348 1 18 ILE MG 1 68 MET ME 1.800 . 4.000 2.347 2.059 2.909 . 0 0 "[ . 1 . 2]" 1
349 1 18 ILE MG 1 69 PHE H 1.800 . 5.500 4.919 4.081 5.479 . 0 0 "[ . 1 . 2]" 1
350 1 18 ILE MG 1 69 PHE HA 1.800 . 4.970 4.174 3.191 4.831 . 0 0 "[ . 1 . 2]" 1
351 1 19 PRO HA 1 21 PHE H 1.800 . 4.820 3.508 3.288 3.607 . 0 0 "[ . 1 . 2]" 1
352 1 19 PRO HB2 1 20 ASP H 1.800 . 4.570 3.270 2.785 3.729 . 0 0 "[ . 1 . 2]" 1
353 1 19 PRO HB3 1 20 ASP H 1.800 . 4.570 4.231 4.081 4.361 . 0 0 "[ . 1 . 2]" 1
354 1 19 PRO QD 1 20 ASP H 1.800 . 4.750 2.648 2.481 2.793 . 0 0 "[ . 1 . 2]" 1
355 1 19 PRO QD 1 69 PHE HA 1.800 . 4.800 4.425 3.295 4.910 0.110 7 0 "[ . 1 . 2]" 1
356 1 19 PRO QD 1 70 GLN QB 1.800 . 5.000 3.547 2.086 5.094 0.094 2 0 "[ . 1 . 2]" 1
357 1 19 PRO HD2 1 70 GLN H 1.800 . 5.000 4.621 3.512 5.066 0.066 7 0 "[ . 1 . 2]" 1
358 1 19 PRO HD3 1 70 GLN H 1.800 . 5.000 4.341 3.345 5.032 0.032 6 0 "[ . 1 . 2]" 1
359 1 19 PRO QG 1 20 ASP H 1.800 . 4.060 3.362 2.775 3.900 . 0 0 "[ . 1 . 2]" 1
360 1 20 ASP H 1 20 ASP HB2 1.800 . 3.680 2.438 2.367 2.761 . 0 0 "[ . 1 . 2]" 1
361 1 20 ASP H 1 20 ASP HB3 1.800 . 3.680 3.470 2.541 3.656 . 0 0 "[ . 1 . 2]" 1
362 1 20 ASP H 1 21 PHE H 1.800 . 3.670 2.553 2.415 2.767 . 0 0 "[ . 1 . 2]" 1
363 1 20 ASP H 1 68 MET ME 1.800 . 4.300 4.219 3.767 4.426 0.126 16 0 "[ . 1 . 2]" 1
364 1 20 ASP QB 1 43 ASN QD 1.800 . 4.630 3.756 3.053 4.436 . 0 0 "[ . 1 . 2]" 1
365 1 20 ASP HB2 1 21 PHE H 1.800 . 4.830 3.803 3.533 4.445 . 0 0 "[ . 1 . 2]" 1
366 1 20 ASP HB2 1 68 MET ME 1.800 . 4.000 2.832 2.100 3.762 . 0 0 "[ . 1 . 2]" 1
367 1 20 ASP HB3 1 21 PHE H 1.800 . 4.830 4.238 3.752 4.398 . 0 0 "[ . 1 . 2]" 1
368 1 20 ASP HB3 1 68 MET ME 1.800 . 4.000 3.271 2.132 3.887 . 0 0 "[ . 1 . 2]" 1
369 1 21 PHE H 1 21 PHE QB 1.800 . 3.000 2.265 2.246 2.287 . 0 0 "[ . 1 . 2]" 1
370 1 21 PHE H 1 21 PHE QD 1.800 . 4.190 4.195 4.171 4.212 0.022 14 0 "[ . 1 . 2]" 1
371 1 21 PHE H 1 22 ASN H 1.800 . 4.700 4.580 4.503 4.661 . 0 0 "[ . 1 . 2]" 1
372 1 21 PHE HA 1 21 PHE QD 1.800 . 3.850 2.802 2.406 3.073 . 0 0 "[ . 1 . 2]" 1
373 1 21 PHE HA 1 22 ASN H 1.800 . 3.160 2.168 2.120 2.330 . 0 0 "[ . 1 . 2]" 1
374 1 21 PHE HA 1 22 ASN QB 1.800 . 4.560 4.115 3.915 4.345 . 0 0 "[ . 1 . 2]" 1
375 1 21 PHE HA 1 23 THR H 1.800 . 4.710 4.388 4.086 4.643 . 0 0 "[ . 1 . 2]" 1
376 1 21 PHE HA 1 42 ILE MD 1.800 . 3.900 3.381 2.902 3.731 . 0 0 "[ . 1 . 2]" 1
377 1 21 PHE HA 1 43 ASN QD 1.800 . 4.700 3.126 2.314 3.782 . 0 0 "[ . 1 . 2]" 1
378 1 21 PHE QB 1 22 ASN H 1.800 . 4.570 3.711 3.388 3.825 . 0 0 "[ . 1 . 2]" 1
379 1 21 PHE QB 1 42 ILE MD 1.800 . 4.710 4.072 3.660 4.647 . 0 0 "[ . 1 . 2]" 1
380 1 21 PHE QD 1 42 ILE HB 1.800 . 4.640 3.562 2.516 4.460 . 0 0 "[ . 1 . 2]" 1
381 1 21 PHE QD 1 42 ILE MD 1.800 . 3.690 3.023 2.289 3.719 0.029 11 0 "[ . 1 . 2]" 1
382 1 21 PHE QD 1 42 ILE MG 1.800 . 3.720 3.024 2.625 3.443 . 0 0 "[ . 1 . 2]" 1
383 1 21 PHE QE 1 24 VAL HB 1.800 . 3.600 2.319 2.278 2.340 . 0 0 "[ . 1 . 2]" 1
384 1 21 PHE QE 1 24 VAL MG1 1.800 . 3.890 3.264 2.988 3.594 . 0 0 "[ . 1 . 2]" 1
385 1 21 PHE QE 1 24 VAL MG2 1.800 . 3.990 3.507 3.185 3.732 . 0 0 "[ . 1 . 2]" 1
386 1 21 PHE QE 1 42 ILE HB 1.800 . 4.600 3.566 2.425 4.535 . 0 0 "[ . 1 . 2]" 1
387 1 21 PHE QE 1 42 ILE MD 1.800 . 4.690 4.035 3.520 4.555 . 0 0 "[ . 1 . 2]" 1
388 1 21 PHE QE 1 42 ILE MG 1.800 . 3.350 2.464 2.078 3.094 . 0 0 "[ . 1 . 2]" 1
389 1 21 PHE HZ 1 23 THR HA 1.800 . 3.830 3.136 2.494 3.888 0.058 11 0 "[ . 1 . 2]" 1
390 1 21 PHE HZ 1 24 VAL HB 1.800 . 3.820 2.392 2.317 3.140 . 0 0 "[ . 1 . 2]" 1
391 1 21 PHE HZ 1 24 VAL MG1 1.800 . 3.220 2.240 2.063 2.824 . 0 0 "[ . 1 . 2]" 1
392 1 21 PHE HZ 1 24 VAL MG2 1.800 . 4.440 3.917 3.739 4.434 . 0 0 "[ . 1 . 2]" 1
393 1 22 ASN H 1 22 ASN QB 1.800 . 3.500 2.464 2.320 2.715 . 0 0 "[ . 1 . 2]" 1
394 1 22 ASN H 1 22 ASN QD 1.800 . 5.190 4.621 3.098 4.984 . 0 0 "[ . 1 . 2]" 1
395 1 22 ASN H 1 23 THR H 1.800 . 2.990 2.354 2.042 2.622 . 0 0 "[ . 1 . 2]" 1
396 1 22 ASN H 1 23 THR MG 1.800 . 4.660 4.195 3.925 4.418 . 0 0 "[ . 1 . 2]" 1
397 1 22 ASN H 1 42 ILE MD 1.800 . 5.010 4.127 3.634 4.599 . 0 0 "[ . 1 . 2]" 1
398 1 22 ASN H 1 43 ASN HA 1.800 . 4.920 4.429 3.678 4.936 0.016 2 0 "[ . 1 . 2]" 1
399 1 22 ASN H 1 43 ASN HD21 1.800 . 4.400 4.394 4.162 4.458 0.058 8 0 "[ . 1 . 2]" 1
400 1 22 ASN H 1 43 ASN HD22 1.800 . 4.400 3.348 2.995 3.766 . 0 0 "[ . 1 . 2]" 1
401 1 22 ASN HA 1 23 THR MG 1.800 . 4.540 4.503 4.379 4.573 0.033 5 0 "[ . 1 . 2]" 1
402 1 22 ASN QB 1 23 THR H 1.800 . 3.900 2.099 1.871 2.316 . 0 0 "[ . 1 . 2]" 1
403 1 22 ASN QB 1 23 THR HB 1.800 . 5.000 3.981 3.626 4.268 . 0 0 "[ . 1 . 2]" 1
404 1 22 ASN QB 1 23 THR MG 1.800 . 3.500 2.553 2.445 2.665 . 0 0 "[ . 1 . 2]" 1
405 1 22 ASN QB 1 43 ASN HA 1.800 . 4.090 2.754 2.338 3.365 . 0 0 "[ . 1 . 2]" 1
406 1 22 ASN QB 1 43 ASN HD21 1.800 . 5.040 4.358 2.980 5.022 . 0 0 "[ . 1 . 2]" 1
407 1 22 ASN QB 1 43 ASN HD22 1.800 . 5.040 3.757 3.123 4.410 . 0 0 "[ . 1 . 2]" 1
408 1 22 ASN QD 1 23 THR MG 1.800 . 4.670 3.538 2.519 4.721 0.051 2 0 "[ . 1 . 2]" 1
409 1 23 THR H 1 23 THR HB 1.800 . 4.100 3.439 3.384 3.523 . 0 0 "[ . 1 . 2]" 1
410 1 23 THR H 1 23 THR MG 1.800 . 3.700 2.276 2.203 2.349 . 0 0 "[ . 1 . 2]" 1
411 1 23 THR H 1 24 VAL H 1.800 . 4.710 4.415 4.368 4.440 . 0 0 "[ . 1 . 2]" 1
412 1 23 THR H 1 42 ILE MG 1.800 . 4.740 4.612 4.265 4.865 0.125 3 0 "[ . 1 . 2]" 1
413 1 23 THR H 1 43 ASN H 1.800 . 3.710 2.616 2.410 2.893 . 0 0 "[ . 1 . 2]" 1
414 1 23 THR H 1 43 ASN HA 1.800 . 3.890 3.327 3.044 3.686 . 0 0 "[ . 1 . 2]" 1
415 1 23 THR H 1 43 ASN QD 1.800 . 4.970 4.365 4.072 4.904 . 0 0 "[ . 1 . 2]" 1
416 1 23 THR HA 1 23 THR MG 1.800 . 3.410 3.203 3.195 3.214 . 0 0 "[ . 1 . 2]" 1
417 1 23 THR HA 1 24 VAL H 1.800 . 2.880 2.364 2.255 2.464 . 0 0 "[ . 1 . 2]" 1
418 1 23 THR HA 1 24 VAL MG1 1.800 . 4.310 3.505 3.335 3.847 . 0 0 "[ . 1 . 2]" 1
419 1 23 THR HB 1 24 VAL H 1.800 . 3.930 3.783 3.696 3.881 . 0 0 "[ . 1 . 2]" 1
420 1 23 THR MG 1 24 VAL H 1.800 . 3.930 3.609 3.467 3.776 . 0 0 "[ . 1 . 2]" 1
421 1 23 THR MG 1 43 ASN H 1.800 . 3.930 2.551 1.894 3.107 . 0 0 "[ . 1 . 2]" 1
422 1 23 THR MG 1 43 ASN HA 1.800 . 3.370 2.635 2.080 3.080 . 0 0 "[ . 1 . 2]" 1
423 1 23 THR MG 1 43 ASN HB2 1.800 . 5.500 4.957 4.342 5.449 . 0 0 "[ . 1 . 2]" 1
424 1 23 THR MG 1 43 ASN HB3 1.800 . 5.170 4.719 4.154 5.128 . 0 0 "[ . 1 . 2]" 1
425 1 23 THR MG 1 44 ASN H 1.800 . 3.960 2.572 2.182 2.984 . 0 0 "[ . 1 . 2]" 1
426 1 23 THR MG 1 44 ASN QB 1.800 . 5.340 3.712 2.711 4.312 . 0 0 "[ . 1 . 2]" 1
427 1 23 THR MG 1 44 ASN HD21 1.800 . 5.000 3.563 2.873 4.389 . 0 0 "[ . 1 . 2]" 1
428 1 23 THR MG 1 44 ASN HD22 1.800 . 5.000 3.345 2.127 5.113 0.113 8 0 "[ . 1 . 2]" 1
429 1 24 VAL H 1 24 VAL HB 1.800 . 3.950 3.240 3.083 3.330 . 0 0 "[ . 1 . 2]" 1
430 1 24 VAL H 1 24 VAL MG1 1.800 . 3.000 2.007 1.874 2.181 . 0 0 "[ . 1 . 2]" 1
431 1 24 VAL H 1 24 VAL MG2 1.800 . 4.210 3.879 3.837 3.949 . 0 0 "[ . 1 . 2]" 1
432 1 24 VAL HA 1 24 VAL MG1 1.800 . 3.980 3.208 3.200 3.215 . 0 0 "[ . 1 . 2]" 1
433 1 24 VAL HA 1 24 VAL MG2 1.800 . 3.440 2.338 2.261 2.391 . 0 0 "[ . 1 . 2]" 1
434 1 24 VAL HA 1 25 THR H 1.800 . 2.910 2.191 2.155 2.215 . 0 0 "[ . 1 . 2]" 1
435 1 24 VAL HA 1 42 ILE HA 1.800 . 3.260 2.367 2.272 2.500 . 0 0 "[ . 1 . 2]" 1
436 1 24 VAL HA 1 42 ILE HB 1.800 . 4.540 3.977 3.755 4.335 . 0 0 "[ . 1 . 2]" 1
437 1 24 VAL HA 1 42 ILE MG 1.800 . 3.870 2.486 2.282 2.925 . 0 0 "[ . 1 . 2]" 1
438 1 24 VAL HA 1 43 ASN H 1.800 . 5.000 3.958 3.740 4.117 . 0 0 "[ . 1 . 2]" 1
439 1 24 VAL HB 1 25 THR H 1.800 . 4.240 4.126 4.046 4.220 . 0 0 "[ . 1 . 2]" 1
440 1 24 VAL HB 1 42 ILE HA 1.800 . 4.670 4.144 3.655 4.486 . 0 0 "[ . 1 . 2]" 1
441 1 24 VAL HB 1 42 ILE MG 1.800 . 3.780 2.587 2.298 2.952 . 0 0 "[ . 1 . 2]" 1
442 1 24 VAL MG1 1 25 THR H 1.800 . 4.270 3.908 3.688 4.028 . 0 0 "[ . 1 . 2]" 1
443 1 24 VAL MG1 1 26 PHE QE 1.800 . 3.520 2.551 2.190 3.187 . 0 0 "[ . 1 . 2]" 1
444 1 24 VAL MG2 1 25 THR H 1.800 . 3.240 2.424 2.304 2.558 . 0 0 "[ . 1 . 2]" 1
445 1 24 VAL MG2 1 25 THR HA 1.800 . 4.870 3.652 3.536 3.822 . 0 0 "[ . 1 . 2]" 1
446 1 24 VAL MG2 1 25 THR HB 1.800 . 5.110 4.555 4.481 4.631 . 0 0 "[ . 1 . 2]" 1
447 1 24 VAL MG2 1 26 PHE H 1.800 . 4.820 3.918 3.432 4.172 . 0 0 "[ . 1 . 2]" 1
448 1 24 VAL MG2 1 26 PHE QD 1.800 . 4.520 3.458 3.095 3.836 . 0 0 "[ . 1 . 2]" 1
449 1 24 VAL MG2 1 26 PHE QE 1.800 . 3.720 2.787 2.413 3.244 . 0 0 "[ . 1 . 2]" 1
450 1 24 VAL MG2 1 26 PHE HZ 1.800 . 3.480 2.723 2.247 3.442 . 0 0 "[ . 1 . 2]" 1
451 1 24 VAL MG2 1 40 GLY QA 1.800 . 4.860 3.766 3.312 4.196 . 0 0 "[ . 1 . 2]" 1
452 1 24 VAL MG2 1 41 TYR H 1.800 . 3.970 3.679 3.145 3.975 0.005 15 0 "[ . 1 . 2]" 1
453 1 24 VAL MG2 1 42 ILE HA 1.800 . 4.320 3.756 3.237 3.947 . 0 0 "[ . 1 . 2]" 1
454 1 24 VAL MG2 1 42 ILE MG 1.800 . 3.450 2.518 2.226 2.875 . 0 0 "[ . 1 . 2]" 1
455 1 25 THR H 1 25 THR HB 1.800 . 3.480 2.647 2.561 2.704 . 0 0 "[ . 1 . 2]" 1
456 1 25 THR H 1 25 THR MG 1.800 . 4.180 3.865 3.827 3.889 . 0 0 "[ . 1 . 2]" 1
457 1 25 THR H 1 26 PHE H 1.800 . 4.790 4.263 4.111 4.341 . 0 0 "[ . 1 . 2]" 1
458 1 25 THR H 1 41 TYR H 1.800 . 4.000 2.937 2.671 3.192 . 0 0 "[ . 1 . 2]" 1
459 1 25 THR H 1 42 ILE HA 1.800 . 3.990 3.472 3.187 3.842 . 0 0 "[ . 1 . 2]" 1
460 1 25 THR H 1 42 ILE MG 1.800 . 4.430 3.760 3.530 4.229 . 0 0 "[ . 1 . 2]" 1
461 1 25 THR HA 1 25 THR MG 1.800 . 3.220 2.308 2.254 2.341 . 0 0 "[ . 1 . 2]" 1
462 1 25 THR HA 1 26 PHE H 1.800 . 2.890 2.145 2.110 2.185 . 0 0 "[ . 1 . 2]" 1
463 1 25 THR HA 1 26 PHE QB 1.800 . 5.110 4.420 4.279 4.471 . 0 0 "[ . 1 . 2]" 1
464 1 25 THR HA 1 26 PHE QD 1.800 . 4.900 3.894 3.465 4.272 . 0 0 "[ . 1 . 2]" 1
465 1 25 THR HB 1 26 PHE H 1.800 . 4.750 4.279 4.228 4.424 . 0 0 "[ . 1 . 2]" 1
466 1 25 THR HB 1 27 THR MG 1.800 . 4.770 3.975 3.655 4.371 . 0 0 "[ . 1 . 2]" 1
467 1 25 THR HB 1 41 TYR H 1.800 . 4.230 3.270 2.853 3.736 . 0 0 "[ . 1 . 2]" 1
468 1 25 THR HB 1 41 TYR QD 1.800 . 4.910 3.481 3.284 3.821 . 0 0 "[ . 1 . 2]" 1
469 1 25 THR HB 1 41 TYR QE 1.800 . 4.320 2.825 2.599 3.025 . 0 0 "[ . 1 . 2]" 1
470 1 25 THR MG 1 26 PHE H 1.800 . 3.340 2.809 2.672 3.129 . 0 0 "[ . 1 . 2]" 1
471 1 25 THR MG 1 26 PHE HA 1.800 . 4.690 4.019 3.881 4.267 . 0 0 "[ . 1 . 2]" 1
472 1 25 THR MG 1 27 THR HA 1.800 . 4.680 4.398 4.000 4.804 0.124 8 0 "[ . 1 . 2]" 1
473 1 25 THR MG 1 27 THR MG 1.800 . 3.620 2.593 2.124 3.190 . 0 0 "[ . 1 . 2]" 1
474 1 25 THR MG 1 41 TYR H 1.800 . 4.590 4.159 3.722 4.500 . 0 0 "[ . 1 . 2]" 1
475 1 25 THR MG 1 41 TYR QD 1.800 . 5.010 4.251 3.976 4.627 . 0 0 "[ . 1 . 2]" 1
476 1 26 PHE H 1 26 PHE HB2 1.800 . 3.940 2.492 2.340 2.575 . 0 0 "[ . 1 . 2]" 1
477 1 26 PHE H 1 26 PHE HB3 1.800 . 3.940 3.668 3.598 3.732 . 0 0 "[ . 1 . 2]" 1
478 1 26 PHE H 1 26 PHE QD 1.800 . 3.570 2.596 2.315 2.958 . 0 0 "[ . 1 . 2]" 1
479 1 26 PHE H 1 27 THR MG 1.800 . 5.500 4.434 3.829 4.724 . 0 0 "[ . 1 . 2]" 1
480 1 26 PHE HA 1 26 PHE QD 1.800 . 3.730 2.644 2.334 2.896 . 0 0 "[ . 1 . 2]" 1
481 1 26 PHE HA 1 27 THR H 1.800 . 3.290 2.190 2.121 2.275 . 0 0 "[ . 1 . 2]" 1
482 1 26 PHE HA 1 27 THR MG 1.800 . 4.520 3.495 3.138 3.933 . 0 0 "[ . 1 . 2]" 1
483 1 26 PHE HA 1 38 ILE MG 1.800 . 4.970 3.919 3.356 4.644 . 0 0 "[ . 1 . 2]" 1
484 1 26 PHE HA 1 40 GLY HA2 1.800 . 4.230 3.276 2.833 4.108 . 0 0 "[ . 1 . 2]" 1
485 1 26 PHE HA 1 40 GLY HA3 1.800 . 4.230 2.499 2.299 2.758 . 0 0 "[ . 1 . 2]" 1
486 1 26 PHE HA 1 41 TYR H 1.800 . 5.000 4.091 3.875 4.380 . 0 0 "[ . 1 . 2]" 1
487 1 26 PHE QB 1 28 ASN H 1.800 . 5.000 3.878 3.002 5.120 0.120 8 0 "[ . 1 . 2]" 1
488 1 26 PHE HB2 1 27 THR H 1.800 . 4.870 4.128 3.904 4.326 . 0 0 "[ . 1 . 2]" 1
489 1 26 PHE HB2 1 38 ILE MG 1.800 . 4.890 4.364 3.757 4.906 0.016 2 0 "[ . 1 . 2]" 1
490 1 26 PHE HB3 1 27 THR H 1.800 . 4.870 3.224 2.883 3.577 . 0 0 "[ . 1 . 2]" 1
491 1 26 PHE HB3 1 38 ILE MG 1.800 . 4.890 3.065 2.384 3.782 . 0 0 "[ . 1 . 2]" 1
492 1 26 PHE QD 1 27 THR H 1.800 . 4.690 4.013 3.542 4.452 . 0 0 "[ . 1 . 2]" 1
493 1 26 PHE QD 1 38 ILE MG 1.800 . 3.220 2.135 2.031 2.270 . 0 0 "[ . 1 . 2]" 1
494 1 26 PHE QD 1 40 GLY QA 1.800 . 5.210 3.471 2.865 4.269 . 0 0 "[ . 1 . 2]" 1
495 1 26 PHE QE 1 38 ILE MG 1.800 . 3.670 2.762 2.200 3.707 0.037 10 0 "[ . 1 . 2]" 1
496 1 27 THR H 1 27 THR MG 1.800 . 3.770 2.578 2.163 3.267 . 0 0 "[ . 1 . 2]" 1
497 1 27 THR H 1 28 ASN H 1.800 . 3.650 2.345 1.755 3.897 0.247 8 0 "[ . 1 . 2]" 1
498 1 27 THR H 1 40 GLY HA2 1.800 . 4.220 3.053 2.576 3.614 . 0 0 "[ . 1 . 2]" 1
499 1 27 THR H 1 40 GLY HA3 1.800 . 4.220 3.389 2.975 3.718 . 0 0 "[ . 1 . 2]" 1
500 1 27 THR HA 1 27 THR MG 1.800 . 3.200 2.677 2.212 3.200 0.000 1 0 "[ . 1 . 2]" 1
501 1 27 THR HB 1 28 ASN H 1.800 . 4.610 4.063 2.719 4.660 0.050 7 0 "[ . 1 . 2]" 1
502 1 27 THR MG 1 28 ASN H 1.800 . 5.100 3.771 2.057 4.239 . 0 0 "[ . 1 . 2]" 1
503 1 27 THR MG 1 40 GLY HA2 1.800 . 4.450 2.855 2.180 3.919 . 0 0 "[ . 1 . 2]" 1
504 1 27 THR MG 1 40 GLY HA3 1.800 . 4.450 3.850 2.823 4.454 0.004 2 0 "[ . 1 . 2]" 1
505 1 27 THR MG 1 41 TYR H 1.800 . 4.650 4.010 3.623 4.436 . 0 0 "[ . 1 . 2]" 1
506 1 27 THR MG 1 41 TYR QD 1.800 . 4.020 3.321 2.645 3.897 . 0 0 "[ . 1 . 2]" 1
507 1 27 THR MG 1 41 TYR QE 1.800 . 4.090 2.273 2.048 2.855 . 0 0 "[ . 1 . 2]" 1
508 1 28 ASN H 1 39 ASP QB 1.800 . 5.000 3.963 2.760 5.151 0.151 4 0 "[ . 1 . 2]" 1
509 1 28 ASN QB 1 39 ASP H 1.800 . 4.880 3.699 1.945 5.097 0.217 8 0 "[ . 1 . 2]" 1
510 1 29 GLU H 1 29 GLU QG 1.800 . 4.510 3.179 2.105 4.352 . 0 0 "[ . 1 . 2]" 1
511 1 29 GLU HA 1 30 GLU H 1.800 . 3.160 2.493 2.134 3.488 0.328 10 0 "[ . 1 . 2]" 1
512 1 29 GLU HB2 1 30 GLU H 1.800 . 4.600 4.066 2.951 4.671 0.071 1 0 "[ . 1 . 2]" 1
513 1 29 GLU HB3 1 30 GLU H 1.800 . 4.600 3.796 1.728 4.632 0.072 10 0 "[ . 1 . 2]" 1
514 1 30 GLU H 1 30 GLU QB 1.800 . 3.480 2.792 2.248 3.366 . 0 0 "[ . 1 . 2]" 1
515 1 30 GLU H 1 30 GLU QG 1.800 . 4.150 3.274 1.878 4.271 0.121 3 0 "[ . 1 . 2]" 1
516 1 30 GLU HA 1 30 GLU QG 1.800 . 3.990 2.638 2.294 3.318 . 0 0 "[ . 1 . 2]" 1
517 1 30 GLU HA 1 31 PHE H 1.800 . 3.350 2.472 2.134 3.480 0.130 7 0 "[ . 1 . 2]" 1
518 1 30 GLU HB2 1 31 PHE H 1.800 . 4.310 3.390 1.841 4.333 0.023 14 0 "[ . 1 . 2]" 1
519 1 30 GLU HB3 1 31 PHE H 1.800 . 4.310 3.447 1.793 4.055 0.007 20 0 "[ . 1 . 2]" 1
520 1 30 GLU QG 1 31 PHE H 1.800 . 4.710 3.122 2.113 4.408 . 0 0 "[ . 1 . 2]" 1
521 1 30 GLU QG 1 37 SER QB 1.800 . 4.800 4.052 2.195 5.041 0.241 8 0 "[ . 1 . 2]" 1
522 1 31 PHE H 1 31 PHE QB 1.800 . 3.570 2.648 2.296 3.318 . 0 0 "[ . 1 . 2]" 1
523 1 31 PHE H 1 32 ASN H 1.800 . 4.510 4.333 3.417 4.612 0.102 7 0 "[ . 1 . 2]" 1
524 1 31 PHE HA 1 31 PHE QD 1.800 . 4.260 3.124 2.659 3.727 . 0 0 "[ . 1 . 2]" 1
525 1 31 PHE HA 1 36 ILE MG 1.800 . 5.000 3.635 2.314 5.077 0.077 12 0 "[ . 1 . 2]" 1
526 1 31 PHE HB2 1 32 ASN H 1.800 . 4.880 3.895 2.933 4.608 . 0 0 "[ . 1 . 2]" 1
527 1 31 PHE HB3 1 32 ASN H 1.800 . 4.880 3.726 2.023 4.454 . 0 0 "[ . 1 . 2]" 1
528 1 32 ASN H 1 32 ASN QB 1.800 . 3.690 2.507 2.119 2.959 . 0 0 "[ . 1 . 2]" 1
529 1 32 ASN H 1 35 GLY H 1.800 . 4.760 3.968 3.379 4.875 0.115 10 0 "[ . 1 . 2]" 1
530 1 32 ASN HA 1 32 ASN QD 1.800 . 4.910 3.223 1.884 4.419 . 0 0 "[ . 1 . 2]" 1
531 1 32 ASN HA 1 33 PRO HD2 1.800 . 3.390 2.558 2.324 2.962 . 0 0 "[ . 1 . 2]" 1
532 1 32 ASN HA 1 33 PRO HD3 1.800 . 3.390 2.224 2.106 2.394 . 0 0 "[ . 1 . 2]" 1
533 1 32 ASN HA 1 33 PRO QG 1.800 . 4.910 4.001 3.934 4.053 . 0 0 "[ . 1 . 2]" 1
534 1 32 ASN QB 1 33 PRO QD 1.800 . 3.400 2.473 2.224 3.631 0.231 12 0 "[ . 1 . 2]" 1
535 1 32 ASN QB 1 33 PRO QG 1.800 . 5.080 4.174 3.670 5.262 0.182 12 0 "[ . 1 . 2]" 1
536 1 32 ASN QB 1 34 ILE H 1.800 . 5.000 2.710 2.280 3.686 . 0 0 "[ . 1 . 2]" 1
537 1 32 ASN QB 1 35 GLY H 1.800 . 4.530 2.934 2.238 4.358 . 0 0 "[ . 1 . 2]" 1
538 1 33 PRO QB 1 34 ILE H 1.800 . 3.810 2.739 1.862 3.406 . 0 0 "[ . 1 . 2]" 1
539 1 33 PRO QD 1 34 ILE H 1.800 . 4.070 2.907 2.618 3.454 . 0 0 "[ . 1 . 2]" 1
540 1 34 ILE H 1 34 ILE HB 1.800 . 4.040 2.832 2.394 3.690 . 0 0 "[ . 1 . 2]" 1
541 1 34 ILE H 1 34 ILE MD 1.800 . 4.620 3.823 3.043 4.443 . 0 0 "[ . 1 . 2]" 1
542 1 34 ILE H 1 34 ILE MG 1.800 . 3.950 2.653 1.904 3.857 . 0 0 "[ . 1 . 2]" 1
543 1 34 ILE HA 1 34 ILE MD 1.800 . 4.230 3.513 2.086 4.147 . 0 0 "[ . 1 . 2]" 1
544 1 34 ILE HA 1 34 ILE QG 1.800 . 3.690 2.701 2.261 3.329 . 0 0 "[ . 1 . 2]" 1
545 1 34 ILE HA 1 34 ILE MG 1.800 . 3.350 2.715 2.272 3.209 . 0 0 "[ . 1 . 2]" 1
546 1 34 ILE HB 1 34 ILE MD 1.800 . 3.590 2.375 2.230 3.213 . 0 0 "[ . 1 . 2]" 1
547 1 34 ILE HB 1 35 GLY H 1.800 . 4.690 3.832 2.589 4.442 . 0 0 "[ . 1 . 2]" 1
548 1 34 ILE QG 1 34 ILE MG 1.800 . 3.110 2.213 2.109 2.303 . 0 0 "[ . 1 . 2]" 1
549 1 34 ILE QG 1 35 GLY H 1.800 . 5.150 3.768 2.658 4.303 . 0 0 "[ . 1 . 2]" 1
550 1 34 ILE MG 1 35 GLY H 1.800 . 4.660 3.222 1.910 4.290 . 0 0 "[ . 1 . 2]" 1
551 1 35 GLY H 1 36 ILE H 1.800 . 4.390 3.983 3.213 4.416 0.026 14 0 "[ . 1 . 2]" 1
552 1 35 GLY QA 1 54 LYS QD 1.800 . 4.490 2.974 2.262 4.337 . 0 0 "[ . 1 . 2]" 1
553 1 35 GLY QA 1 54 LYS QE 1.800 . 4.540 3.670 2.001 4.488 . 0 0 "[ . 1 . 2]" 1
554 1 35 GLY QA 1 54 LYS QG 1.800 . 5.180 3.748 2.362 4.837 . 0 0 "[ . 1 . 2]" 1
555 1 35 GLY HA2 1 36 ILE H 1.800 . 3.440 3.225 2.619 3.516 0.076 12 0 "[ . 1 . 2]" 1
556 1 35 GLY HA2 1 36 ILE MG 1.800 . 4.790 3.607 3.311 3.807 . 0 0 "[ . 1 . 2]" 1
557 1 35 GLY HA3 1 36 ILE H 1.800 . 3.440 2.239 2.139 2.536 . 0 0 "[ . 1 . 2]" 1
558 1 35 GLY HA3 1 36 ILE MG 1.800 . 4.790 3.796 3.473 4.363 . 0 0 "[ . 1 . 2]" 1
559 1 36 ILE H 1 36 ILE HB 1.800 . 3.900 3.781 3.641 3.877 . 0 0 "[ . 1 . 2]" 1
560 1 36 ILE H 1 36 ILE HG12 1.800 . 3.710 2.128 1.893 2.251 . 0 0 "[ . 1 . 2]" 1
561 1 36 ILE H 1 36 ILE HG13 1.800 . 3.710 2.860 2.554 3.183 . 0 0 "[ . 1 . 2]" 1
562 1 36 ILE H 1 36 ILE MG 1.800 . 3.650 2.801 2.373 3.084 . 0 0 "[ . 1 . 2]" 1
563 1 36 ILE H 1 37 SER H 1.800 . 4.670 4.485 4.372 4.607 . 0 0 "[ . 1 . 2]" 1
564 1 36 ILE H 1 54 LYS QB 1.800 . 5.190 3.371 1.813 5.244 0.054 9 0 "[ . 1 . 2]" 1
565 1 36 ILE H 1 54 LYS QD 1.800 . 5.340 3.361 2.555 4.180 . 0 0 "[ . 1 . 2]" 1
566 1 36 ILE HA 1 36 ILE MD 1.800 . 4.370 4.134 4.124 4.146 . 0 0 "[ . 1 . 2]" 1
567 1 36 ILE HA 1 36 ILE MG 1.800 . 3.580 2.289 2.240 2.327 . 0 0 "[ . 1 . 2]" 1
568 1 36 ILE HA 1 37 SER H 1.800 . 3.530 2.255 2.161 2.334 . 0 0 "[ . 1 . 2]" 1
569 1 36 ILE HB 1 36 ILE MD 1.800 . 3.420 2.304 2.244 2.367 . 0 0 "[ . 1 . 2]" 1
570 1 36 ILE HB 1 37 SER H 1.800 . 3.790 2.824 2.547 3.190 . 0 0 "[ . 1 . 2]" 1
571 1 36 ILE HB 1 37 SER HA 1.800 . 4.980 4.591 4.404 4.809 . 0 0 "[ . 1 . 2]" 1
572 1 36 ILE MD 1 37 SER H 1.800 . 4.860 4.550 4.258 4.908 0.048 9 0 "[ . 1 . 2]" 1
573 1 36 ILE MD 1 54 LYS H 1.800 . 5.330 4.205 2.831 5.077 . 0 0 "[ . 1 . 2]" 1
574 1 36 ILE MD 1 54 LYS HA 1.800 . 3.860 3.048 2.308 3.866 0.006 18 0 "[ . 1 . 2]" 1
575 1 36 ILE MD 1 54 LYS QE 1.800 . 4.800 4.255 3.202 4.893 0.093 5 0 "[ . 1 . 2]" 1
576 1 36 ILE QG 1 53 GLY QA 1.800 . 4.610 4.031 2.810 4.682 0.072 3 0 "[ . 1 . 2]" 1
577 1 36 ILE QG 1 54 LYS HA 1.800 . 4.660 2.601 2.115 3.980 . 0 0 "[ . 1 . 2]" 1
578 1 36 ILE HG12 1 54 LYS H 1.800 . 4.560 3.834 2.602 4.602 0.042 18 0 "[ . 1 . 2]" 1
579 1 36 ILE HG13 1 54 LYS H 1.800 . 4.560 2.885 1.914 4.188 . 0 0 "[ . 1 . 2]" 1
580 1 36 ILE MG 1 37 SER H 1.800 . 3.980 3.790 3.656 3.922 . 0 0 "[ . 1 . 2]" 1
581 1 36 ILE MG 1 54 LYS QD 1.800 . 4.840 4.370 3.399 5.085 0.245 8 0 "[ . 1 . 2]" 1
582 1 37 SER HA 1 38 ILE H 1.800 . 3.190 2.175 2.118 2.271 . 0 0 "[ . 1 . 2]" 1
583 1 37 SER HA 1 38 ILE HB 1.800 . 5.460 4.540 4.462 4.715 . 0 0 "[ . 1 . 2]" 1
584 1 37 SER HA 1 51 THR MG 1.800 . 4.770 4.108 3.723 4.706 . 0 0 "[ . 1 . 2]" 1
585 1 37 SER HB2 1 38 ILE H 1.800 . 4.440 4.037 3.192 4.400 . 0 0 "[ . 1 . 2]" 1
586 1 37 SER HB2 1 51 THR MG 1.800 . 4.490 4.085 3.105 4.567 0.077 20 0 "[ . 1 . 2]" 1
587 1 37 SER HB3 1 38 ILE H 1.800 . 4.440 3.760 2.679 4.297 . 0 0 "[ . 1 . 2]" 1
588 1 37 SER HB3 1 51 THR MG 1.800 . 4.490 3.769 2.291 4.603 0.113 13 0 "[ . 1 . 2]" 1
589 1 38 ILE H 1 38 ILE HB 1.800 . 3.630 2.556 2.439 2.641 . 0 0 "[ . 1 . 2]" 1
590 1 38 ILE H 1 38 ILE MD 1.800 . 4.790 3.791 3.188 3.973 . 0 0 "[ . 1 . 2]" 1
591 1 38 ILE H 1 38 ILE HG12 1.800 . 4.270 3.953 2.328 4.165 . 0 0 "[ . 1 . 2]" 1
592 1 38 ILE H 1 38 ILE HG13 1.800 . 4.270 2.857 2.549 3.807 . 0 0 "[ . 1 . 2]" 1
593 1 38 ILE H 1 39 ASP H 1.800 . 4.970 4.381 4.278 4.470 . 0 0 "[ . 1 . 2]" 1
594 1 38 ILE H 1 51 THR MG 1.800 . 4.370 3.526 3.236 4.223 . 0 0 "[ . 1 . 2]" 1
595 1 38 ILE H 1 52 ALA H 1.800 . 3.950 2.992 2.756 3.247 . 0 0 "[ . 1 . 2]" 1
596 1 38 ILE H 1 52 ALA MB 1.800 . 4.420 3.688 3.239 4.037 . 0 0 "[ . 1 . 2]" 1
597 1 38 ILE H 1 53 GLY QA 1.800 . 4.630 3.420 2.950 3.941 . 0 0 "[ . 1 . 2]" 1
598 1 38 ILE HA 1 38 ILE MD 1.800 . 4.360 3.734 2.087 3.838 . 0 0 "[ . 1 . 2]" 1
599 1 38 ILE HA 1 38 ILE HG12 1.800 . 4.230 2.579 2.519 3.225 . 0 0 "[ . 1 . 2]" 1
600 1 38 ILE HA 1 38 ILE HG13 1.800 . 4.230 2.913 2.839 3.737 . 0 0 "[ . 1 . 2]" 1
601 1 38 ILE HA 1 38 ILE MG 1.800 . 3.490 2.335 2.300 2.358 . 0 0 "[ . 1 . 2]" 1
602 1 38 ILE HA 1 39 ASP H 1.800 . 3.140 2.149 2.116 2.187 . 0 0 "[ . 1 . 2]" 1
603 1 38 ILE HB 1 38 ILE MD 1.800 . 3.460 2.352 2.253 3.213 . 0 0 "[ . 1 . 2]" 1
604 1 38 ILE HB 1 39 ASP H 1.800 . 4.710 4.234 4.174 4.347 . 0 0 "[ . 1 . 2]" 1
605 1 38 ILE HB 1 52 ALA H 1.800 . 5.040 3.409 3.111 3.765 . 0 0 "[ . 1 . 2]" 1
606 1 38 ILE HB 1 52 ALA MB 1.800 . 3.680 2.871 2.316 3.398 . 0 0 "[ . 1 . 2]" 1
607 1 38 ILE MD 1 38 ILE MG 1.800 . 3.170 1.864 1.811 1.937 . 0 0 "[ . 1 . 2]" 1
608 1 38 ILE MD 1 52 ALA MB 1.800 . 4.390 3.618 2.960 4.495 0.105 2 0 "[ . 1 . 2]" 1
609 1 38 ILE QG 1 39 ASP H 1.800 . 4.880 4.121 4.019 4.786 . 0 0 "[ . 1 . 2]" 1
610 1 38 ILE MG 1 39 ASP H 1.800 . 3.720 2.658 2.508 2.963 . 0 0 "[ . 1 . 2]" 1
611 1 38 ILE MG 1 40 GLY H 1.800 . 5.460 4.508 4.051 4.740 . 0 0 "[ . 1 . 2]" 1
612 1 39 ASP H 1 39 ASP HB2 1.800 . 4.180 2.922 2.480 3.276 . 0 0 "[ . 1 . 2]" 1
613 1 39 ASP H 1 39 ASP HB3 1.800 . 4.180 2.985 2.544 3.755 . 0 0 "[ . 1 . 2]" 1
614 1 39 ASP H 1 40 GLY H 1.800 . 4.680 4.442 4.291 4.567 . 0 0 "[ . 1 . 2]" 1
615 1 39 ASP HA 1 40 GLY H 1.800 . 3.060 2.233 2.145 2.338 . 0 0 "[ . 1 . 2]" 1
616 1 39 ASP HA 1 51 THR HA 1.800 . 3.470 2.431 2.284 2.684 . 0 0 "[ . 1 . 2]" 1
617 1 39 ASP HA 1 51 THR MG 1.800 . 4.270 3.490 3.014 3.837 . 0 0 "[ . 1 . 2]" 1
618 1 39 ASP HA 1 52 ALA H 1.800 . 4.660 3.749 3.523 4.019 . 0 0 "[ . 1 . 2]" 1
619 1 39 ASP QB 1 51 THR HA 1.800 . 4.810 3.790 2.890 4.439 . 0 0 "[ . 1 . 2]" 1
620 1 39 ASP HB2 1 40 GLY H 1.800 . 4.590 4.103 3.951 4.244 . 0 0 "[ . 1 . 2]" 1
621 1 39 ASP HB3 1 40 GLY H 1.800 . 4.590 3.642 2.771 4.308 . 0 0 "[ . 1 . 2]" 1
622 1 40 GLY H 1 41 TYR H 1.800 . 4.600 4.342 4.252 4.385 . 0 0 "[ . 1 . 2]" 1
623 1 40 GLY H 1 50 PHE H 1.800 . 3.810 2.792 2.649 3.300 . 0 0 "[ . 1 . 2]" 1
624 1 40 GLY H 1 51 THR HA 1.800 . 4.270 3.920 3.616 4.081 . 0 0 "[ . 1 . 2]" 1
625 1 40 GLY H 1 51 THR MG 1.800 . 5.500 5.194 4.642 5.455 . 0 0 "[ . 1 . 2]" 1
626 1 40 GLY QA 1 41 TYR QD 1.800 . 5.150 3.083 2.547 3.400 . 0 0 "[ . 1 . 2]" 1
627 1 40 GLY HA2 1 41 TYR H 1.800 . 3.380 2.734 2.567 2.918 . 0 0 "[ . 1 . 2]" 1
628 1 40 GLY HA3 1 41 TYR H 1.800 . 3.460 2.444 2.272 2.567 . 0 0 "[ . 1 . 2]" 1
629 1 41 TYR H 1 41 TYR QD 1.800 . 3.950 3.013 2.744 3.155 . 0 0 "[ . 1 . 2]" 1
630 1 41 TYR HA 1 41 TYR QD 1.800 . 4.530 3.698 3.623 3.717 . 0 0 "[ . 1 . 2]" 1
631 1 41 TYR HA 1 42 ILE H 1.800 . 3.430 2.384 2.345 2.447 . 0 0 "[ . 1 . 2]" 1
632 1 41 TYR HA 1 42 ILE MG 1.800 . 4.300 3.348 3.216 3.418 . 0 0 "[ . 1 . 2]" 1
633 1 41 TYR HA 1 49 SER HA 1.800 . 3.330 2.349 2.273 3.007 . 0 0 "[ . 1 . 2]" 1
634 1 41 TYR HA 1 49 SER QB 1.800 . 5.000 4.243 3.772 4.994 . 0 0 "[ . 1 . 2]" 1
635 1 41 TYR HA 1 50 PHE H 1.800 . 4.170 3.366 2.675 3.669 . 0 0 "[ . 1 . 2]" 1
636 1 41 TYR HA 1 65 LEU MD2 1.800 . 4.790 4.367 3.889 4.749 . 0 0 "[ . 1 . 2]" 1
637 1 41 TYR QB 1 46 LYS HA 1.800 . 3.870 2.865 2.153 3.255 . 0 0 "[ . 1 . 2]" 1
638 1 41 TYR QB 1 49 SER H 1.800 . 4.880 4.237 3.989 4.467 . 0 0 "[ . 1 . 2]" 1
639 1 41 TYR QB 1 49 SER QB 1.800 . 3.900 3.439 2.932 3.916 0.016 6 0 "[ . 1 . 2]" 1
640 1 41 TYR HB2 1 42 ILE H 1.800 . 4.060 2.442 2.357 2.535 . 0 0 "[ . 1 . 2]" 1
641 1 41 TYR HB2 1 49 SER HA 1.800 . 4.140 3.520 3.404 3.798 . 0 0 "[ . 1 . 2]" 1
642 1 41 TYR HB3 1 42 ILE H 1.800 . 4.060 3.673 3.576 3.752 . 0 0 "[ . 1 . 2]" 1
643 1 41 TYR HB3 1 49 SER HA 1.800 . 4.140 2.516 2.313 2.963 . 0 0 "[ . 1 . 2]" 1
644 1 41 TYR QD 1 42 ILE H 1.800 . 4.440 3.556 3.406 3.769 . 0 0 "[ . 1 . 2]" 1
645 1 41 TYR QD 1 44 ASN H 1.800 . 4.570 3.289 2.990 3.515 . 0 0 "[ . 1 . 2]" 1
646 1 41 TYR QD 1 44 ASN HA 1.800 . 4.240 2.840 2.663 3.055 . 0 0 "[ . 1 . 2]" 1
647 1 41 TYR QD 1 45 ASP H 1.800 . 4.380 2.789 2.530 2.952 . 0 0 "[ . 1 . 2]" 1
648 1 41 TYR QD 1 46 LYS HA 1.800 . 4.030 3.470 2.971 3.692 . 0 0 "[ . 1 . 2]" 1
649 1 41 TYR QE 1 44 ASN H 1.800 . 4.240 3.964 3.642 4.259 0.019 11 0 "[ . 1 . 2]" 1
650 1 41 TYR QE 1 44 ASN HA 1.800 . 3.220 2.329 2.307 2.401 . 0 0 "[ . 1 . 2]" 1
651 1 41 TYR QE 1 44 ASN QB 1.800 . 5.050 4.121 3.667 4.392 . 0 0 "[ . 1 . 2]" 1
652 1 41 TYR QE 1 45 ASP H 1.800 . 4.380 4.329 3.999 4.485 0.105 7 0 "[ . 1 . 2]" 1
653 1 41 TYR QE 1 46 LYS HA 1.800 . 4.870 4.458 4.024 4.836 . 0 0 "[ . 1 . 2]" 1
654 1 41 TYR QE 1 46 LYS QE 1.800 . 4.800 4.259 2.942 4.899 0.099 6 0 "[ . 1 . 2]" 1
655 1 41 TYR QE 1 46 LYS QG 1.800 . 5.380 3.993 2.776 4.876 . 0 0 "[ . 1 . 2]" 1
656 1 42 ILE H 1 42 ILE MD 1.800 . 4.940 3.811 3.774 3.908 . 0 0 "[ . 1 . 2]" 1
657 1 42 ILE H 1 42 ILE HG12 1.800 . 3.650 2.126 2.071 2.280 . 0 0 "[ . 1 . 2]" 1
658 1 42 ILE H 1 42 ILE HG13 1.800 . 4.730 2.874 2.709 2.960 . 0 0 "[ . 1 . 2]" 1
659 1 42 ILE H 1 42 ILE MG 1.800 . 3.590 2.771 2.640 2.839 . 0 0 "[ . 1 . 2]" 1
660 1 42 ILE H 1 48 LEU QB 1.800 . 3.790 2.747 2.537 3.268 . 0 0 "[ . 1 . 2]" 1
661 1 42 ILE H 1 48 LEU MD1 1.800 . 4.600 4.172 4.026 4.569 . 0 0 "[ . 1 . 2]" 1
662 1 42 ILE H 1 49 SER HA 1.800 . 4.430 4.078 4.000 4.514 0.084 15 0 "[ . 1 . 2]" 1
663 1 42 ILE H 1 65 LEU MD1 1.800 . 4.560 4.494 4.019 4.650 0.090 15 0 "[ . 1 . 2]" 1
664 1 42 ILE HA 1 42 ILE MD 1.800 . 4.600 4.131 4.122 4.141 . 0 0 "[ . 1 . 2]" 1
665 1 42 ILE HA 1 42 ILE MG 1.800 . 3.500 2.316 2.280 2.430 . 0 0 "[ . 1 . 2]" 1
666 1 42 ILE HA 1 43 ASN H 1.800 . 3.350 2.349 2.273 2.406 . 0 0 "[ . 1 . 2]" 1
667 1 42 ILE HA 1 43 ASN HA 1.800 . 4.540 4.526 4.473 4.559 0.019 6 0 "[ . 1 . 2]" 1
668 1 42 ILE HA 1 44 ASN H 1.800 . 4.710 3.362 3.300 3.476 . 0 0 "[ . 1 . 2]" 1
669 1 42 ILE HB 1 42 ILE MD 1.800 . 3.450 2.263 2.219 2.317 . 0 0 "[ . 1 . 2]" 1
670 1 42 ILE HB 1 43 ASN H 1.800 . 3.600 2.479 2.352 2.614 . 0 0 "[ . 1 . 2]" 1
671 1 42 ILE MD 1 43 ASN QB 1.800 . 4.350 4.090 3.978 4.300 . 0 0 "[ . 1 . 2]" 1
672 1 42 ILE MD 1 43 ASN HD21 1.800 . 4.720 3.182 2.379 4.773 0.053 14 0 "[ . 1 . 2]" 1
673 1 42 ILE MD 1 43 ASN HD22 1.800 . 4.720 3.149 2.804 3.746 . 0 0 "[ . 1 . 2]" 1
674 1 42 ILE MD 1 48 LEU QB 1.800 . 4.920 3.198 2.781 3.928 . 0 0 "[ . 1 . 2]" 1
675 1 42 ILE MD 1 65 LEU MD1 1.800 . 3.000 2.011 1.900 2.278 . 0 0 "[ . 1 . 2]" 1
676 1 42 ILE MD 1 68 MET ME 1.800 . 3.170 2.982 2.244 3.259 0.089 11 0 "[ . 1 . 2]" 1
677 1 42 ILE HG12 1 48 LEU QB 1.800 . 4.950 2.645 2.274 3.364 . 0 0 "[ . 1 . 2]" 1
678 1 42 ILE HG13 1 43 ASN HB2 1.800 . 4.550 3.058 2.879 3.409 . 0 0 "[ . 1 . 2]" 1
679 1 42 ILE HG13 1 43 ASN HB3 1.800 . 4.970 4.670 4.525 4.837 . 0 0 "[ . 1 . 2]" 1
680 1 42 ILE HG13 1 48 LEU QB 1.800 . 4.950 2.751 2.468 3.409 . 0 0 "[ . 1 . 2]" 1
681 1 42 ILE HG13 1 68 MET ME 1.800 . 5.170 4.333 3.706 4.831 . 0 0 "[ . 1 . 2]" 1
682 1 42 ILE MG 1 43 ASN H 1.800 . 4.080 3.704 3.634 3.786 . 0 0 "[ . 1 . 2]" 1
683 1 42 ILE MG 1 48 LEU QB 1.800 . 5.410 4.215 3.907 4.786 . 0 0 "[ . 1 . 2]" 1
684 1 42 ILE MG 1 50 PHE QE 1.800 . 3.980 2.717 2.221 4.317 0.337 3 0 "[ . 1 . 2]" 1
685 1 43 ASN H 1 44 ASN H 1.800 . 3.980 2.696 2.665 2.730 . 0 0 "[ . 1 . 2]" 1
686 1 43 ASN HA 1 43 ASN QD 1.800 . 4.660 3.681 3.104 3.829 . 0 0 "[ . 1 . 2]" 1
687 1 43 ASN HB2 1 48 LEU MD1 1.800 . 4.110 2.418 2.257 2.744 . 0 0 "[ . 1 . 2]" 1
688 1 43 ASN HB3 1 48 LEU MD1 1.800 . 4.110 3.615 3.406 4.021 . 0 0 "[ . 1 . 2]" 1
689 1 43 ASN HD21 1 68 MET ME 1.800 . 3.800 3.375 2.812 3.868 0.068 8 0 "[ . 1 . 2]" 1
690 1 43 ASN HD22 1 68 MET ME 1.800 . 3.800 3.071 2.229 3.586 . 0 0 "[ . 1 . 2]" 1
691 1 44 ASN H 1 45 ASP H 1.800 . 3.580 2.842 2.799 2.914 . 0 0 "[ . 1 . 2]" 1
692 1 44 ASN QB 1 44 ASN QD 1.800 . 3.100 2.340 2.175 2.824 . 0 0 "[ . 1 . 2]" 1
693 1 45 ASP H 1 45 ASP HB2 1.800 . 3.870 2.618 2.407 2.889 . 0 0 "[ . 1 . 2]" 1
694 1 45 ASP H 1 45 ASP HB3 1.800 . 3.870 3.296 2.671 3.764 . 0 0 "[ . 1 . 2]" 1
695 1 45 ASP H 1 48 LEU MD1 1.800 . 4.380 4.053 3.899 4.400 0.020 6 0 "[ . 1 . 2]" 1
696 1 45 ASP QB 1 47 ASN H 1.800 . 5.030 3.399 2.741 3.966 . 0 0 "[ . 1 . 2]" 1
697 1 45 ASP QB 1 48 LEU H 1.800 . 3.910 2.596 2.403 2.772 . 0 0 "[ . 1 . 2]" 1
698 1 45 ASP QB 1 48 LEU HG 1.800 . 3.790 2.348 2.191 2.518 . 0 0 "[ . 1 . 2]" 1
699 1 45 ASP HB2 1 46 LYS H 1.800 . 4.820 4.464 4.412 4.512 . 0 0 "[ . 1 . 2]" 1
700 1 45 ASP HB2 1 48 LEU MD1 1.800 . 3.900 2.576 2.259 3.014 . 0 0 "[ . 1 . 2]" 1
701 1 45 ASP HB2 1 48 LEU HG 1.800 . 4.530 3.111 2.458 3.736 . 0 0 "[ . 1 . 2]" 1
702 1 45 ASP HB3 1 46 LYS H 1.800 . 4.820 3.944 3.618 4.321 . 0 0 "[ . 1 . 2]" 1
703 1 45 ASP HB3 1 48 LEU MD1 1.800 . 3.900 2.827 2.270 3.754 . 0 0 "[ . 1 . 2]" 1
704 1 45 ASP HB3 1 48 LEU HG 1.800 . 4.530 2.478 2.335 2.856 . 0 0 "[ . 1 . 2]" 1
705 1 46 LYS H 1 46 LYS QB 1.800 . 3.060 2.415 2.361 2.519 . 0 0 "[ . 1 . 2]" 1
706 1 46 LYS H 1 46 LYS QD 1.800 . 4.520 3.728 3.191 4.277 . 0 0 "[ . 1 . 2]" 1
707 1 46 LYS H 1 46 LYS HG2 1.800 . 3.810 2.978 1.931 3.490 . 0 0 "[ . 1 . 2]" 1
708 1 46 LYS H 1 46 LYS HG3 1.800 . 3.810 2.617 2.148 3.444 . 0 0 "[ . 1 . 2]" 1
709 1 46 LYS H 1 47 ASN H 1.800 . 3.480 2.706 2.659 2.758 . 0 0 "[ . 1 . 2]" 1
710 1 46 LYS HA 1 46 LYS HG2 1.800 . 3.990 2.570 2.370 3.068 . 0 0 "[ . 1 . 2]" 1
711 1 46 LYS HA 1 46 LYS HG3 1.800 . 3.990 3.231 2.912 3.783 . 0 0 "[ . 1 . 2]" 1
712 1 46 LYS HA 1 48 LEU H 1.800 . 4.440 4.238 4.038 4.290 . 0 0 "[ . 1 . 2]" 1
713 1 46 LYS QB 1 47 ASN H 1.800 . 3.900 2.717 2.630 3.047 . 0 0 "[ . 1 . 2]" 1
714 1 46 LYS QB 1 47 ASN HA 1.800 . 4.690 3.936 3.913 4.021 . 0 0 "[ . 1 . 2]" 1
715 1 46 LYS QE 1 46 LYS HG2 1.800 . 3.610 2.604 2.231 3.459 . 0 0 "[ . 1 . 2]" 1
716 1 46 LYS QE 1 46 LYS HG3 1.800 . 3.610 2.607 2.250 3.308 . 0 0 "[ . 1 . 2]" 1
717 1 47 ASN H 1 47 ASN HD21 1.800 . 4.670 3.483 2.765 4.090 . 0 0 "[ . 1 . 2]" 1
718 1 47 ASN H 1 47 ASN HD22 1.800 . 4.670 4.066 3.612 4.459 . 0 0 "[ . 1 . 2]" 1
719 1 47 ASN H 1 48 LEU H 1.800 . 3.120 2.676 2.616 2.728 . 0 0 "[ . 1 . 2]" 1
720 1 47 ASN H 1 48 LEU MD2 1.800 . 5.280 5.022 4.716 5.133 . 0 0 "[ . 1 . 2]" 1
721 1 47 ASN H 1 48 LEU HG 1.800 . 4.390 4.225 4.131 4.282 . 0 0 "[ . 1 . 2]" 1
722 1 47 ASN HB2 1 48 LEU MD2 1.800 . 4.570 3.505 3.136 3.709 . 0 0 "[ . 1 . 2]" 1
723 1 47 ASN HB3 1 48 LEU MD2 1.800 . 4.570 3.376 3.001 3.697 . 0 0 "[ . 1 . 2]" 1
724 1 47 ASN HB3 1 64 GLU QB 1.800 . 4.750 3.582 2.940 4.308 . 0 0 "[ . 1 . 2]" 1
725 1 48 LEU H 1 48 LEU HB2 1.800 . 3.270 2.557 2.513 2.621 . 0 0 "[ . 1 . 2]" 1
726 1 48 LEU H 1 48 LEU HB3 1.800 . 3.790 3.650 3.641 3.661 . 0 0 "[ . 1 . 2]" 1
727 1 48 LEU H 1 48 LEU MD1 1.800 . 3.970 3.644 3.601 3.726 . 0 0 "[ . 1 . 2]" 1
728 1 48 LEU H 1 48 LEU MD2 1.800 . 3.910 3.203 2.951 3.294 . 0 0 "[ . 1 . 2]" 1
729 1 48 LEU H 1 48 LEU HG 1.800 . 3.410 2.166 2.098 2.209 . 0 0 "[ . 1 . 2]" 1
730 1 48 LEU H 1 49 SER H 1.800 . 4.340 3.875 3.605 4.059 . 0 0 "[ . 1 . 2]" 1
731 1 48 LEU HA 1 48 LEU MD1 1.800 . 4.490 3.821 3.788 3.841 . 0 0 "[ . 1 . 2]" 1
732 1 48 LEU HA 1 48 LEU MD2 1.800 . 3.160 2.107 2.089 2.139 . 0 0 "[ . 1 . 2]" 1
733 1 48 LEU HA 1 49 SER H 1.800 . 3.160 2.392 2.285 2.533 . 0 0 "[ . 1 . 2]" 1
734 1 48 LEU HA 1 62 SER HG 1.800 . 5.050 3.229 1.940 5.007 . 0 0 "[ . 1 . 2]" 1
735 1 48 LEU HA 1 64 GLU QB 1.800 . 4.490 3.523 3.137 4.105 . 0 0 "[ . 1 . 2]" 1
736 1 48 LEU HA 1 65 LEU H 1.800 . 5.010 3.791 3.111 4.318 . 0 0 "[ . 1 . 2]" 1
737 1 48 LEU HA 1 65 LEU HB2 1.800 . 4.400 2.594 2.323 3.139 . 0 0 "[ . 1 . 2]" 1
738 1 48 LEU HA 1 65 LEU HB3 1.800 . 4.400 4.091 3.672 4.472 0.072 13 0 "[ . 1 . 2]" 1
739 1 48 LEU QB 1 65 LEU MD1 1.800 . 3.930 2.348 2.111 2.837 . 0 0 "[ . 1 . 2]" 1
740 1 48 LEU HB2 1 48 LEU MD1 1.800 . 3.830 2.323 2.297 2.449 . 0 0 "[ . 1 . 2]" 1
741 1 48 LEU HB2 1 48 LEU MD2 1.800 . 4.080 3.210 3.202 3.218 . 0 0 "[ . 1 . 2]" 1
742 1 48 LEU HB2 1 49 SER H 1.800 . 4.590 4.442 4.376 4.463 . 0 0 "[ . 1 . 2]" 1
743 1 48 LEU HB3 1 48 LEU MD1 1.800 . 3.830 2.408 2.280 2.441 . 0 0 "[ . 1 . 2]" 1
744 1 48 LEU HB3 1 48 LEU MD2 1.800 . 4.080 2.314 2.292 2.374 . 0 0 "[ . 1 . 2]" 1
745 1 48 LEU MD1 1 68 MET ME 1.800 . 3.930 3.103 2.376 3.551 . 0 0 "[ . 1 . 2]" 1
746 1 48 LEU MD2 1 49 SER H 1.800 . 4.270 4.054 3.962 4.118 . 0 0 "[ . 1 . 2]" 1
747 1 48 LEU MD2 1 64 GLU H 1.800 . 4.700 4.393 4.046 4.747 0.047 19 0 "[ . 1 . 2]" 1
748 1 48 LEU MD2 1 64 GLU HA 1.800 . 4.500 4.055 3.864 4.366 . 0 0 "[ . 1 . 2]" 1
749 1 48 LEU MD2 1 64 GLU HB2 1.800 . 3.750 2.459 2.164 2.868 . 0 0 "[ . 1 . 2]" 1
750 1 48 LEU MD2 1 64 GLU HB3 1.800 . 3.750 2.316 2.107 2.653 . 0 0 "[ . 1 . 2]" 1
751 1 48 LEU MD2 1 64 GLU HG2 1.800 . 4.590 4.122 3.562 4.632 0.042 11 0 "[ . 1 . 2]" 1
752 1 48 LEU MD2 1 64 GLU HG3 1.800 . 4.590 4.275 3.418 4.681 0.091 12 0 "[ . 1 . 2]" 1
753 1 48 LEU MD2 1 65 LEU H 1.800 . 4.420 3.128 2.770 3.645 . 0 0 "[ . 1 . 2]" 1
754 1 48 LEU MD2 1 65 LEU HA 1.800 . 3.470 2.465 2.292 3.052 . 0 0 "[ . 1 . 2]" 1
755 1 48 LEU MD2 1 65 LEU QB 1.800 . 4.580 2.613 2.235 2.958 . 0 0 "[ . 1 . 2]" 1
756 1 48 LEU MD2 1 65 LEU MD1 1.800 . 3.580 2.698 2.261 3.499 . 0 0 "[ . 1 . 2]" 1
757 1 48 LEU MD2 1 68 MET QG 1.800 . 4.880 3.379 2.621 4.151 . 0 0 "[ . 1 . 2]" 1
758 1 49 SER H 1 49 SER HB2 1.800 . 4.100 3.007 2.348 3.753 . 0 0 "[ . 1 . 2]" 1
759 1 49 SER H 1 49 SER HB3 1.800 . 4.100 3.041 2.384 3.710 . 0 0 "[ . 1 . 2]" 1
760 1 49 SER H 1 50 PHE H 1.800 . 4.880 4.583 4.534 4.625 . 0 0 "[ . 1 . 2]" 1
761 1 49 SER H 1 62 SER H 1.800 . 4.780 4.227 3.809 4.785 0.005 10 0 "[ . 1 . 2]" 1
762 1 49 SER H 1 62 SER QB 1.800 . 4.460 3.282 2.573 4.193 . 0 0 "[ . 1 . 2]" 1
763 1 49 SER H 1 62 SER HG 1.800 . 4.210 2.930 1.994 4.254 0.044 14 0 "[ . 1 . 2]" 1
764 1 49 SER H 1 65 LEU H 1.800 . 5.000 4.898 4.419 5.149 0.149 8 0 "[ . 1 . 2]" 1
765 1 49 SER H 1 65 LEU QB 1.800 . 5.000 3.583 3.390 3.953 . 0 0 "[ . 1 . 2]" 1
766 1 49 SER H 1 65 LEU MD2 1.800 . 4.500 3.901 3.041 4.319 . 0 0 "[ . 1 . 2]" 1
767 1 49 SER HA 1 50 PHE H 1.800 . 3.090 2.329 2.193 2.403 . 0 0 "[ . 1 . 2]" 1
768 1 49 SER HA 1 65 LEU MD2 1.800 . 4.990 4.064 3.602 4.615 . 0 0 "[ . 1 . 2]" 1
769 1 49 SER QB 1 50 PHE H 1.800 . 3.590 2.781 2.465 3.529 . 0 0 "[ . 1 . 2]" 1
770 1 49 SER HB2 1 50 PHE H 1.800 . 3.910 3.386 2.494 3.960 0.050 15 0 "[ . 1 . 2]" 1
771 1 49 SER HB3 1 50 PHE H 1.800 . 3.910 3.367 2.522 4.004 0.094 8 0 "[ . 1 . 2]" 1
772 1 50 PHE H 1 50 PHE QD 1.800 . 5.000 3.149 2.703 4.362 . 0 0 "[ . 1 . 2]" 1
773 1 50 PHE H 1 65 LEU MD2 1.800 . 4.580 4.101 3.713 4.595 0.015 3 0 "[ . 1 . 2]" 1
774 1 50 PHE HA 1 50 PHE QD 1.800 . 5.330 3.534 2.306 3.722 . 0 0 "[ . 1 . 2]" 1
775 1 50 PHE HA 1 51 THR H 1.800 . 3.180 2.292 2.146 2.371 . 0 0 "[ . 1 . 2]" 1
776 1 50 PHE HA 1 61 SER HA 1.800 . 4.000 2.645 2.253 3.107 . 0 0 "[ . 1 . 2]" 1
777 1 50 PHE HA 1 61 SER QB 1.800 . 5.000 3.819 2.755 4.811 . 0 0 "[ . 1 . 2]" 1
778 1 50 PHE HA 1 62 SER H 1.800 . 4.120 3.880 3.541 4.229 0.109 8 0 "[ . 1 . 2]" 1
779 1 50 PHE HA 1 65 LEU MD2 1.800 . 5.000 3.074 2.642 3.496 . 0 0 "[ . 1 . 2]" 1
780 1 50 PHE QB 1 51 THR H 1.800 . 3.880 2.815 2.544 3.732 . 0 0 "[ . 1 . 2]" 1
781 1 50 PHE QB 1 61 SER HA 1.800 . 5.000 3.716 2.984 5.089 0.089 3 0 "[ . 1 . 2]" 1
782 1 50 PHE QB 1 61 SER QB 1.800 . 5.000 3.687 2.409 4.782 . 0 0 "[ . 1 . 2]" 1
783 1 50 PHE QB 1 65 LEU MD2 1.800 . 4.350 2.098 1.986 2.794 . 0 0 "[ . 1 . 2]" 1
784 1 50 PHE QD 1 51 THR H 1.800 . 4.380 3.274 1.799 3.709 0.001 8 0 "[ . 1 . 2]" 1
785 1 50 PHE QD 1 51 THR HA 1.800 . 4.310 3.454 3.117 4.355 0.045 15 0 "[ . 1 . 2]" 1
786 1 50 PHE QD 1 52 ALA H 1.800 . 5.500 4.048 3.636 5.086 . 0 0 "[ . 1 . 2]" 1
787 1 50 PHE QD 1 65 LEU MD1 1.800 . 5.000 4.286 3.043 4.609 . 0 0 "[ . 1 . 2]" 1
788 1 50 PHE QD 1 65 LEU MD2 1.800 . 3.660 2.914 2.197 3.331 . 0 0 "[ . 1 . 2]" 1
789 1 51 THR H 1 51 THR HB 1.800 . 3.740 2.737 2.667 2.806 . 0 0 "[ . 1 . 2]" 1
790 1 51 THR H 1 51 THR MG 1.800 . 4.040 3.900 3.869 3.934 . 0 0 "[ . 1 . 2]" 1
791 1 51 THR H 1 61 SER HA 1.800 . 5.000 3.628 3.117 4.045 . 0 0 "[ . 1 . 2]" 1
792 1 51 THR H 1 65 LEU MD2 1.800 . 5.350 4.599 4.195 4.943 . 0 0 "[ . 1 . 2]" 1
793 1 51 THR HA 1 51 THR MG 1.800 . 3.490 2.312 2.267 2.354 . 0 0 "[ . 1 . 2]" 1
794 1 51 THR HA 1 52 ALA H 1.800 . 3.240 2.179 2.119 2.224 . 0 0 "[ . 1 . 2]" 1
795 1 51 THR HB 1 52 ALA H 1.800 . 5.140 4.110 3.965 4.202 . 0 0 "[ . 1 . 2]" 1
796 1 51 THR MG 1 52 ALA H 1.800 . 3.970 2.474 2.249 2.619 . 0 0 "[ . 1 . 2]" 1
797 1 51 THR MG 1 52 ALA HA 1.800 . 5.000 3.585 3.396 3.717 . 0 0 "[ . 1 . 2]" 1
798 1 51 THR MG 1 53 GLY H 1.800 . 5.500 4.445 4.268 4.691 . 0 0 "[ . 1 . 2]" 1
799 1 51 THR MG 1 60 SER H 1.800 . 4.450 3.996 3.435 4.379 . 0 0 "[ . 1 . 2]" 1
800 1 51 THR MG 1 60 SER QB 1.800 . 4.520 3.683 2.220 4.529 0.009 17 0 "[ . 1 . 2]" 1
801 1 52 ALA H 1 52 ALA MB 1.800 . 3.620 2.568 2.477 2.710 . 0 0 "[ . 1 . 2]" 1
802 1 52 ALA H 1 53 GLY H 1.800 . 5.090 4.389 4.313 4.485 . 0 0 "[ . 1 . 2]" 1
803 1 52 ALA HA 1 53 GLY H 1.800 . 3.130 2.217 2.155 2.333 . 0 0 "[ . 1 . 2]" 1
804 1 52 ALA HA 1 59 PHE HA 1.800 . 3.700 2.486 2.235 3.456 . 0 0 "[ . 1 . 2]" 1
805 1 52 ALA HA 1 59 PHE QD 1.800 . 4.730 4.085 2.894 4.849 0.119 8 0 "[ . 1 . 2]" 1
806 1 52 ALA HA 1 60 SER H 1.800 . 4.120 3.656 3.082 4.085 . 0 0 "[ . 1 . 2]" 1
807 1 52 ALA MB 1 53 GLY H 1.800 . 3.690 2.867 2.644 2.988 . 0 0 "[ . 1 . 2]" 1
808 1 52 ALA MB 1 53 GLY QA 1.800 . 4.490 3.921 3.822 3.967 . 0 0 "[ . 1 . 2]" 1
809 1 52 ALA MB 1 56 VAL HA 1.800 . 4.260 2.813 2.306 3.589 . 0 0 "[ . 1 . 2]" 1
810 1 52 ALA MB 1 56 VAL MG1 1.800 . 4.070 3.271 2.249 4.154 0.084 13 0 "[ . 1 . 2]" 1
811 1 52 ALA MB 1 56 VAL MG2 1.800 . 4.440 3.558 3.022 4.371 . 0 0 "[ . 1 . 2]" 1
812 1 52 ALA MB 1 59 PHE HA 1.800 . 4.760 3.646 3.012 4.104 . 0 0 "[ . 1 . 2]" 1
813 1 52 ALA MB 1 59 PHE QD 1.800 . 4.410 3.582 2.213 4.553 0.143 2 0 "[ . 1 . 2]" 1
814 1 53 GLY H 1 56 VAL HA 1.800 . 5.000 3.868 2.693 5.018 0.018 13 0 "[ . 1 . 2]" 1
815 1 53 GLY H 1 58 ILE H 1.800 . 5.000 3.697 2.386 5.077 0.077 7 0 "[ . 1 . 2]" 1
816 1 53 GLY H 1 58 ILE HB 1.800 . 4.900 3.784 2.790 4.910 0.010 2 0 "[ . 1 . 2]" 1
817 1 53 GLY H 1 58 ILE MG 1.800 . 5.450 3.955 2.602 4.749 . 0 0 "[ . 1 . 2]" 1
818 1 53 GLY QA 1 58 ILE HB 1.800 . 5.170 3.530 2.472 4.469 . 0 0 "[ . 1 . 2]" 1
819 1 53 GLY QA 1 58 ILE MD 1.800 . 5.500 4.430 3.153 5.577 0.077 2 0 "[ . 1 . 2]" 1
820 1 54 LYS H 1 54 LYS QB 1.800 . 3.640 2.837 2.235 3.289 . 0 0 "[ . 1 . 2]" 1
821 1 54 LYS H 1 54 LYS QG 1.800 . 4.520 3.237 2.211 4.282 . 0 0 "[ . 1 . 2]" 1
822 1 54 LYS HA 1 54 LYS QE 1.800 . 4.900 4.345 3.853 4.883 . 0 0 "[ . 1 . 2]" 1
823 1 54 LYS HA 1 54 LYS QG 1.800 . 3.470 2.471 2.204 3.289 . 0 0 "[ . 1 . 2]" 1
824 1 54 LYS QE 1 54 LYS QG 1.800 . 3.290 2.211 2.120 2.345 . 0 0 "[ . 1 . 2]" 1
825 1 56 VAL H 1 56 VAL MG1 1.800 . 4.940 3.846 3.765 4.015 . 0 0 "[ . 1 . 2]" 1
826 1 56 VAL H 1 56 VAL MG2 1.800 . 4.110 2.344 1.854 2.691 . 0 0 "[ . 1 . 2]" 1
827 1 56 VAL H 1 57 LYS H 1.800 . 4.250 2.796 1.823 4.350 0.100 16 0 "[ . 1 . 2]" 1
828 1 56 VAL HA 1 56 VAL MG1 1.800 . 3.570 2.239 2.204 2.297 . 0 0 "[ . 1 . 2]" 1
829 1 56 VAL HA 1 56 VAL MG2 1.800 . 3.940 2.504 2.355 2.580 . 0 0 "[ . 1 . 2]" 1
830 1 56 VAL HB 1 76 TYR HB2 1.800 . 5.400 3.107 2.338 4.307 . 0 0 "[ . 1 . 2]" 1
831 1 56 VAL HB 1 76 TYR HB3 1.800 . 5.400 4.020 2.524 5.183 . 0 0 "[ . 1 . 2]" 1
832 1 56 VAL MG1 1 57 LYS H 1.800 . 5.110 4.053 2.011 4.316 . 0 0 "[ . 1 . 2]" 1
833 1 56 VAL MG1 1 59 PHE QB 1.800 . 4.790 3.068 2.662 3.663 . 0 0 "[ . 1 . 2]" 1
834 1 56 VAL MG1 1 59 PHE QD 1.800 . 3.920 3.151 2.321 3.667 . 0 0 "[ . 1 . 2]" 1
835 1 56 VAL MG1 1 76 TYR H 1.800 . 4.970 3.827 2.848 4.684 . 0 0 "[ . 1 . 2]" 1
836 1 56 VAL MG2 1 57 LYS H 1.800 . 5.500 4.013 3.453 4.186 . 0 0 "[ . 1 . 2]" 1
837 1 56 VAL MG2 1 76 TYR H 1.800 . 5.380 4.010 2.703 5.199 . 0 0 "[ . 1 . 2]" 1
838 1 56 VAL MG2 1 76 TYR HA 1.800 . 5.500 4.169 3.294 5.271 . 0 0 "[ . 1 . 2]" 1
839 1 56 VAL MG2 1 76 TYR QB 1.800 . 4.340 2.524 2.045 3.629 . 0 0 "[ . 1 . 2]" 1
840 1 57 LYS H 1 57 LYS QB 1.800 . 3.390 2.401 2.231 3.168 . 0 0 "[ . 1 . 2]" 1
841 1 57 LYS H 1 57 LYS QD 1.800 . 4.990 4.089 3.436 4.603 . 0 0 "[ . 1 . 2]" 1
842 1 57 LYS H 1 58 ILE H 1.800 . 4.310 3.168 2.631 4.548 0.238 17 0 "[ . 1 . 2]" 1
843 1 57 LYS HA 1 57 LYS QD 1.800 . 4.440 3.210 2.115 4.168 . 0 0 "[ . 1 . 2]" 1
844 1 57 LYS HA 1 57 LYS QG 1.800 . 3.330 2.492 2.274 2.973 . 0 0 "[ . 1 . 2]" 1
845 1 57 LYS QB 1 57 LYS QD 1.800 . 3.120 2.213 2.130 2.349 . 0 0 "[ . 1 . 2]" 1
846 1 57 LYS QB 1 57 LYS QE 1.800 . 4.170 3.206 2.151 3.826 . 0 0 "[ . 1 . 2]" 1
847 1 57 LYS QB 1 58 ILE H 1.800 . 4.570 2.626 1.817 3.831 . 0 0 "[ . 1 . 2]" 1
848 1 57 LYS QB 1 58 ILE MD 1.800 . 4.480 3.841 3.538 4.735 0.255 6 0 "[ . 1 . 2]" 1
849 1 57 LYS QE 1 57 LYS HG2 1.800 . 3.580 2.648 2.221 3.318 . 0 0 "[ . 1 . 2]" 1
850 1 57 LYS QE 1 57 LYS HG3 1.800 . 3.580 2.602 2.241 3.294 . 0 0 "[ . 1 . 2]" 1
851 1 58 ILE H 1 58 ILE MD 1.800 . 4.890 3.863 1.994 4.284 . 0 0 "[ . 1 . 2]" 1
852 1 58 ILE H 1 58 ILE QG 1.800 . 4.440 2.907 2.502 4.248 . 0 0 "[ . 1 . 2]" 1
853 1 58 ILE HA 1 58 ILE MD 1.800 . 4.320 3.570 2.112 3.838 . 0 0 "[ . 1 . 2]" 1
854 1 58 ILE HA 1 58 ILE HG12 1.800 . 4.180 2.703 2.528 3.655 . 0 0 "[ . 1 . 2]" 1
855 1 58 ILE HA 1 58 ILE HG13 1.800 . 4.180 2.910 2.729 3.767 . 0 0 "[ . 1 . 2]" 1
856 1 58 ILE HA 1 58 ILE MG 1.800 . 3.420 2.419 2.272 3.199 . 0 0 "[ . 1 . 2]" 1
857 1 58 ILE HA 1 59 PHE H 1.800 . 3.110 2.159 2.115 2.191 . 0 0 "[ . 1 . 2]" 1
858 1 58 ILE HB 1 58 ILE MD 1.800 . 3.600 2.352 2.226 3.205 . 0 0 "[ . 1 . 2]" 1
859 1 58 ILE HB 1 59 PHE H 1.800 . 4.780 4.298 4.105 4.439 . 0 0 "[ . 1 . 2]" 1
860 1 58 ILE QG 1 58 ILE MG 1.800 . 3.220 2.263 2.109 2.286 . 0 0 "[ . 1 . 2]" 1
861 1 58 ILE QG 1 59 PHE H 1.800 . 5.000 4.028 2.502 4.909 . 0 0 "[ . 1 . 2]" 1
862 1 58 ILE MG 1 59 PHE H 1.800 . 3.710 2.909 2.413 3.748 0.038 2 0 "[ . 1 . 2]" 1
863 1 58 ILE MG 1 59 PHE HA 1.800 . 4.300 3.615 3.464 3.954 . 0 0 "[ . 1 . 2]" 1
864 1 58 ILE MG 1 60 SER QB 1.800 . 4.550 4.149 3.517 4.631 0.081 2 0 "[ . 1 . 2]" 1
865 1 59 PHE H 1 59 PHE QB 1.800 . 3.670 2.862 2.318 3.201 . 0 0 "[ . 1 . 2]" 1
866 1 59 PHE H 1 59 PHE QD 1.800 . 4.990 3.461 2.529 4.425 . 0 0 "[ . 1 . 2]" 1
867 1 59 PHE HA 1 59 PHE QD 1.800 . 3.910 3.204 2.382 3.716 . 0 0 "[ . 1 . 2]" 1
868 1 59 PHE HA 1 60 SER H 1.800 . 3.030 2.218 2.119 2.390 . 0 0 "[ . 1 . 2]" 1
869 1 59 PHE QD 1 60 SER H 1.800 . 4.360 3.540 3.027 4.425 0.065 2 0 "[ . 1 . 2]" 1
870 1 59 PHE QD 1 60 SER HA 1.800 . 4.670 3.789 3.251 4.567 . 0 0 "[ . 1 . 2]" 1
871 1 60 SER H 1 60 SER QB 1.800 . 3.430 2.618 2.364 2.965 . 0 0 "[ . 1 . 2]" 1
872 1 60 SER HA 1 61 SER H 1.800 . 2.840 2.279 2.138 2.443 . 0 0 "[ . 1 . 2]" 1
873 1 60 SER HB2 1 61 SER H 1.800 . 5.210 3.789 2.581 4.432 . 0 0 "[ . 1 . 2]" 1
874 1 60 SER HB3 1 61 SER H 1.800 . 5.210 3.628 2.690 4.277 . 0 0 "[ . 1 . 2]" 1
875 1 61 SER H 1 61 SER HB2 1.800 . 4.190 3.519 2.607 3.907 . 0 0 "[ . 1 . 2]" 1
876 1 61 SER H 1 61 SER HB3 1.800 . 4.190 3.374 2.625 3.868 . 0 0 "[ . 1 . 2]" 1
877 1 61 SER HA 1 62 SER H 1.800 . 3.300 2.307 2.222 2.475 . 0 0 "[ . 1 . 2]" 1
878 1 61 SER HA 1 65 LEU MD2 1.800 . 4.210 2.932 2.266 3.920 . 0 0 "[ . 1 . 2]" 1
879 1 61 SER QB 1 62 SER H 1.800 . 3.780 2.748 2.275 3.555 . 0 0 "[ . 1 . 2]" 1
880 1 61 SER QB 1 65 LEU HG 1.800 . 4.290 2.877 2.255 3.969 . 0 0 "[ . 1 . 2]" 1
881 1 61 SER QB 1 66 ASP QB 1.800 . 4.680 3.803 2.900 4.741 0.061 11 0 "[ . 1 . 2]" 1
882 1 61 SER HB2 1 62 SER H 1.800 . 4.020 3.108 2.299 4.004 . 0 0 "[ . 1 . 2]" 1
883 1 61 SER HB2 1 65 LEU QB 1.800 . 4.380 3.039 2.311 4.123 . 0 0 "[ . 1 . 2]" 1
884 1 61 SER HB2 1 65 LEU MD2 1.800 . 3.900 2.694 2.243 3.815 . 0 0 "[ . 1 . 2]" 1
885 1 61 SER HB2 1 65 LEU HG 1.800 . 5.080 3.261 2.321 4.254 . 0 0 "[ . 1 . 2]" 1
886 1 61 SER HB3 1 62 SER H 1.800 . 4.020 3.580 2.663 4.039 0.019 18 0 "[ . 1 . 2]" 1
887 1 61 SER HB3 1 65 LEU QB 1.800 . 4.380 3.645 2.325 4.247 . 0 0 "[ . 1 . 2]" 1
888 1 61 SER HB3 1 65 LEU MD2 1.800 . 3.900 2.833 2.290 3.944 0.044 12 0 "[ . 1 . 2]" 1
889 1 61 SER HB3 1 65 LEU HG 1.800 . 5.080 3.599 2.345 4.920 . 0 0 "[ . 1 . 2]" 1
890 1 62 SER H 1 62 SER QB 1.800 . 3.620 2.549 2.287 2.718 . 0 0 "[ . 1 . 2]" 1
891 1 62 SER H 1 63 GLU H 1.800 . 4.640 4.614 4.576 4.663 0.023 1 0 "[ . 1 . 2]" 1
892 1 62 SER H 1 65 LEU HB2 1.800 . 4.730 3.607 3.111 4.047 . 0 0 "[ . 1 . 2]" 1
893 1 62 SER H 1 65 LEU HB3 1.800 . 4.750 2.515 2.079 3.183 . 0 0 "[ . 1 . 2]" 1
894 1 62 SER H 1 65 LEU MD2 1.800 . 4.920 2.912 2.365 3.753 . 0 0 "[ . 1 . 2]" 1
895 1 62 SER HA 1 63 GLU H 1.800 . 3.170 2.443 2.366 2.509 . 0 0 "[ . 1 . 2]" 1
896 1 62 SER HA 1 63 GLU QB 1.800 . 5.170 4.572 4.298 4.709 . 0 0 "[ . 1 . 2]" 1
897 1 62 SER QB 1 63 GLU H 1.800 . 3.790 2.403 2.237 3.139 . 0 0 "[ . 1 . 2]" 1
898 1 62 SER HB2 1 64 GLU H 1.800 . 4.730 3.109 2.792 4.549 . 0 0 "[ . 1 . 2]" 1
899 1 62 SER HB3 1 64 GLU H 1.800 . 4.730 4.426 3.085 4.750 0.020 17 0 "[ . 1 . 2]" 1
900 1 62 SER HG 1 65 LEU H 1.800 . 4.590 2.852 1.934 4.561 . 0 0 "[ . 1 . 2]" 1
901 1 63 GLU H 1 63 GLU HB2 1.800 . 3.820 2.574 2.411 3.616 . 0 0 "[ . 1 . 2]" 1
902 1 63 GLU H 1 63 GLU HB3 1.800 . 3.820 3.290 2.501 3.609 . 0 0 "[ . 1 . 2]" 1
903 1 63 GLU H 1 63 GLU QG 1.800 . 4.180 2.711 2.030 3.974 . 0 0 "[ . 1 . 2]" 1
904 1 63 GLU H 1 64 GLU H 1.800 . 3.640 2.724 2.573 2.848 . 0 0 "[ . 1 . 2]" 1
905 1 63 GLU HA 1 63 GLU HG2 1.800 . 3.930 3.079 2.460 3.696 . 0 0 "[ . 1 . 2]" 1
906 1 63 GLU HA 1 63 GLU HG3 1.800 . 3.930 2.921 2.319 3.745 . 0 0 "[ . 1 . 2]" 1
907 1 63 GLU HA 1 66 ASP H 1.800 . 3.950 3.446 3.081 3.727 . 0 0 "[ . 1 . 2]" 1
908 1 63 GLU HA 1 66 ASP HB2 1.800 . 3.800 2.940 2.413 3.569 . 0 0 "[ . 1 . 2]" 1
909 1 63 GLU HA 1 66 ASP HB3 1.800 . 3.800 2.790 2.318 3.895 0.095 13 0 "[ . 1 . 2]" 1
910 1 63 GLU HA 1 67 LYS H 1.800 . 5.000 4.406 4.024 5.010 0.010 6 0 "[ . 1 . 2]" 1
911 1 63 GLU QB 1 64 GLU H 1.800 . 3.570 2.572 2.287 3.436 . 0 0 "[ . 1 . 2]" 1
912 1 63 GLU HB2 1 64 GLU H 1.800 . 4.090 2.921 2.327 3.819 . 0 0 "[ . 1 . 2]" 1
913 1 63 GLU HB3 1 64 GLU H 1.800 . 4.090 3.363 2.375 3.898 . 0 0 "[ . 1 . 2]" 1
914 1 64 GLU H 1 64 GLU HB2 1.800 . 3.890 2.444 2.401 2.494 . 0 0 "[ . 1 . 2]" 1
915 1 64 GLU H 1 64 GLU HB3 1.800 . 3.890 3.609 3.601 3.624 . 0 0 "[ . 1 . 2]" 1
916 1 64 GLU H 1 64 GLU HG2 1.800 . 3.850 3.306 2.129 3.910 0.060 4 0 "[ . 1 . 2]" 1
917 1 64 GLU H 1 64 GLU QG 1.800 . 3.330 2.500 2.113 3.133 . 0 0 "[ . 1 . 2]" 1
918 1 64 GLU H 1 64 GLU HG3 1.800 . 3.850 2.907 2.202 3.665 . 0 0 "[ . 1 . 2]" 1
919 1 64 GLU H 1 65 LEU H 1.800 . 3.450 2.663 2.551 2.911 . 0 0 "[ . 1 . 2]" 1
920 1 64 GLU HA 1 64 GLU HG2 1.800 . 3.800 2.966 2.443 3.568 . 0 0 "[ . 1 . 2]" 1
921 1 64 GLU HA 1 64 GLU HG3 1.800 . 3.800 2.912 2.304 3.719 . 0 0 "[ . 1 . 2]" 1
922 1 64 GLU HA 1 67 LYS H 1.800 . 4.260 3.773 3.444 4.152 . 0 0 "[ . 1 . 2]" 1
923 1 64 GLU HA 1 67 LYS QE 1.800 . 4.280 3.223 2.158 4.323 0.043 4 0 "[ . 1 . 2]" 1
924 1 64 GLU HA 1 67 LYS QG 1.800 . 4.780 3.241 2.299 4.153 . 0 0 "[ . 1 . 2]" 1
925 1 64 GLU QB 1 65 LEU H 1.800 . 3.630 2.508 2.174 2.743 . 0 0 "[ . 1 . 2]" 1
926 1 65 LEU H 1 65 LEU HB2 1.800 . 3.340 2.642 2.553 2.820 . 0 0 "[ . 1 . 2]" 1
927 1 65 LEU H 1 65 LEU HB3 1.800 . 3.340 2.489 2.400 2.593 . 0 0 "[ . 1 . 2]" 1
928 1 65 LEU H 1 66 ASP H 1.800 . 3.290 2.489 2.214 2.699 . 0 0 "[ . 1 . 2]" 1
929 1 65 LEU H 1 66 ASP QB 1.800 . 5.500 4.261 3.996 4.524 . 0 0 "[ . 1 . 2]" 1
930 1 65 LEU HA 1 65 LEU MD1 1.800 . 3.170 2.106 2.070 2.162 . 0 0 "[ . 1 . 2]" 1
931 1 65 LEU HA 1 65 LEU MD2 1.800 . 4.610 3.812 3.788 3.841 . 0 0 "[ . 1 . 2]" 1
932 1 65 LEU HA 1 65 LEU HG 1.800 . 4.130 3.108 2.725 3.220 . 0 0 "[ . 1 . 2]" 1
933 1 65 LEU HA 1 66 ASP QB 1.800 . 5.500 5.176 5.097 5.355 . 0 0 "[ . 1 . 2]" 1
934 1 65 LEU HA 1 68 MET H 1.800 . 5.000 3.406 3.202 3.532 . 0 0 "[ . 1 . 2]" 1
935 1 65 LEU HA 1 68 MET QG 1.800 . 4.210 2.889 2.081 3.803 . 0 0 "[ . 1 . 2]" 1
936 1 65 LEU HB2 1 66 ASP H 1.800 . 4.350 4.033 3.892 4.201 . 0 0 "[ . 1 . 2]" 1
937 1 65 LEU HB3 1 65 LEU MD1 1.800 . 3.890 3.210 3.201 3.214 . 0 0 "[ . 1 . 2]" 1
938 1 65 LEU HB3 1 65 LEU MD2 1.800 . 3.830 2.350 2.219 2.486 . 0 0 "[ . 1 . 2]" 1
939 1 65 LEU HB3 1 66 ASP H 1.800 . 3.880 2.876 2.599 3.158 . 0 0 "[ . 1 . 2]" 1
940 1 65 LEU MD1 1 68 MET H 1.800 . 4.390 3.920 3.656 4.529 0.139 3 0 "[ . 1 . 2]" 1
941 1 65 LEU MD1 1 68 MET HB2 1.800 . 4.800 2.360 2.273 3.033 . 0 0 "[ . 1 . 2]" 1
942 1 65 LEU MD1 1 68 MET HB3 1.800 . 4.800 3.358 3.031 3.634 . 0 0 "[ . 1 . 2]" 1
943 1 65 LEU MD1 1 68 MET QG 1.800 . 4.880 3.121 2.120 3.800 . 0 0 "[ . 1 . 2]" 1
944 1 65 LEU HG 1 66 ASP HA 1.800 . 4.820 3.811 3.548 4.272 . 0 0 "[ . 1 . 2]" 1
945 1 65 LEU HG 1 69 PHE QD 1.800 . 5.060 3.845 2.534 5.101 0.041 11 0 "[ . 1 . 2]" 1
946 1 66 ASP H 1 66 ASP HB2 1.800 . 3.590 2.485 2.247 2.616 . 0 0 "[ . 1 . 2]" 1
947 1 66 ASP H 1 66 ASP HB3 1.800 . 3.590 2.679 2.495 3.589 . 0 0 "[ . 1 . 2]" 1
948 1 66 ASP H 1 67 LYS H 1.800 . 3.510 2.678 2.514 2.842 . 0 0 "[ . 1 . 2]" 1
949 1 66 ASP HA 1 68 MET H 1.800 . 4.570 4.088 3.719 4.574 0.004 2 0 "[ . 1 . 2]" 1
950 1 66 ASP HA 1 69 PHE H 1.800 . 4.320 3.725 3.383 4.236 . 0 0 "[ . 1 . 2]" 1
951 1 66 ASP HA 1 69 PHE QD 1.800 . 4.320 3.039 2.225 4.081 . 0 0 "[ . 1 . 2]" 1
952 1 66 ASP HB2 1 67 LYS H 1.800 . 4.050 3.747 2.609 3.956 . 0 0 "[ . 1 . 2]" 1
953 1 66 ASP HB3 1 67 LYS H 1.800 . 4.050 2.696 2.394 3.540 . 0 0 "[ . 1 . 2]" 1
954 1 67 LYS H 1 67 LYS HB2 1.800 . 3.650 3.021 2.363 3.635 . 0 0 "[ . 1 . 2]" 1
955 1 67 LYS H 1 67 LYS HB3 1.800 . 3.650 3.073 2.264 3.621 . 0 0 "[ . 1 . 2]" 1
956 1 67 LYS H 1 67 LYS QD 1.800 . 4.470 3.773 3.269 4.333 . 0 0 "[ . 1 . 2]" 1
957 1 67 LYS H 1 67 LYS HG2 1.800 . 3.870 2.757 1.797 3.652 0.003 2 0 "[ . 1 . 2]" 1
958 1 67 LYS H 1 67 LYS HG3 1.800 . 3.870 2.897 2.245 3.903 0.033 10 0 "[ . 1 . 2]" 1
959 1 67 LYS H 1 68 MET H 1.800 . 3.330 2.633 2.526 2.797 . 0 0 "[ . 1 . 2]" 1
960 1 67 LYS HA 1 67 LYS QD 1.800 . 4.540 4.045 2.154 4.460 . 0 0 "[ . 1 . 2]" 1
961 1 67 LYS HA 1 67 LYS HG2 1.800 . 4.010 3.105 2.346 3.738 . 0 0 "[ . 1 . 2]" 1
962 1 67 LYS HA 1 67 LYS HG3 1.800 . 4.010 3.380 2.869 3.782 . 0 0 "[ . 1 . 2]" 1
963 1 67 LYS QB 1 68 MET H 1.800 . 3.990 3.199 2.452 3.788 . 0 0 "[ . 1 . 2]" 1
964 1 67 LYS QB 1 68 MET QG 1.800 . 5.180 3.889 3.068 4.787 . 0 0 "[ . 1 . 2]" 1
965 1 67 LYS QE 1 67 LYS QG 1.800 . 3.020 2.233 2.119 2.907 . 0 0 "[ . 1 . 2]" 1
966 1 67 LYS QG 1 68 MET H 1.800 . 4.920 3.268 1.744 4.337 0.056 11 0 "[ . 1 . 2]" 1
967 1 68 MET H 1 68 MET HB2 1.800 . 3.860 2.390 2.306 2.555 . 0 0 "[ . 1 . 2]" 1
968 1 68 MET H 1 68 MET HB3 1.800 . 3.860 3.606 3.574 3.634 . 0 0 "[ . 1 . 2]" 1
969 1 68 MET H 1 68 MET HG2 1.800 . 3.940 3.011 2.019 3.802 . 0 0 "[ . 1 . 2]" 1
970 1 68 MET H 1 68 MET HG3 1.800 . 3.940 3.057 2.259 3.723 . 0 0 "[ . 1 . 2]" 1
971 1 68 MET H 1 69 PHE H 1.800 . 3.230 2.597 2.359 2.959 . 0 0 "[ . 1 . 2]" 1
972 1 68 MET HA 1 68 MET ME 1.800 . 4.070 3.506 3.012 3.858 . 0 0 "[ . 1 . 2]" 1
973 1 68 MET HA 1 68 MET HG2 1.800 . 3.870 2.644 2.399 3.029 . 0 0 "[ . 1 . 2]" 1
974 1 68 MET HA 1 68 MET HG3 1.800 . 3.870 3.298 2.835 3.738 . 0 0 "[ . 1 . 2]" 1
975 1 68 MET QB 1 68 MET ME 1.800 . 3.470 2.148 2.073 2.429 . 0 0 "[ . 1 . 2]" 1
976 1 68 MET QB 1 69 PHE H 1.800 . 4.260 2.746 2.114 3.275 . 0 0 "[ . 1 . 2]" 1
977 1 68 MET ME 1 68 MET HG2 1.800 . 4.150 2.797 2.236 3.345 . 0 0 "[ . 1 . 2]" 1
978 1 68 MET ME 1 68 MET HG3 1.800 . 4.150 2.791 2.224 3.348 . 0 0 "[ . 1 . 2]" 1
979 1 68 MET QG 1 69 PHE H 1.800 . 4.970 4.171 3.953 4.370 . 0 0 "[ . 1 . 2]" 1
980 1 69 PHE H 1 69 PHE HB2 1.800 . 3.610 2.526 2.198 3.677 0.067 8 0 "[ . 1 . 2]" 1
981 1 69 PHE H 1 69 PHE HB3 1.800 . 3.610 3.228 2.151 3.611 0.001 3 0 "[ . 1 . 2]" 1
982 1 69 PHE H 1 70 GLN H 1.800 . 4.800 4.555 4.276 4.649 . 0 0 "[ . 1 . 2]" 1
983 1 69 PHE HA 1 69 PHE QD 1.800 . 4.150 2.971 2.266 3.709 . 0 0 "[ . 1 . 2]" 1
984 1 69 PHE HA 1 70 GLN H 1.800 . 3.090 2.176 2.126 2.241 . 0 0 "[ . 1 . 2]" 1
985 1 69 PHE HA 1 70 GLN QB 1.800 . 5.030 4.199 4.022 4.438 . 0 0 "[ . 1 . 2]" 1
986 1 69 PHE HB2 1 70 GLN H 1.800 . 4.580 4.157 3.076 4.598 0.018 17 0 "[ . 1 . 2]" 1
987 1 69 PHE HB3 1 70 GLN H 1.800 . 4.580 3.596 3.091 4.381 . 0 0 "[ . 1 . 2]" 1
988 1 69 PHE QD 1 70 GLN H 1.800 . 5.320 3.990 3.029 4.505 . 0 0 "[ . 1 . 2]" 1
989 1 70 GLN H 1 70 GLN HG2 1.800 . 5.000 4.281 3.208 4.852 . 0 0 "[ . 1 . 2]" 1
990 1 70 GLN H 1 70 GLN HG3 1.800 . 5.000 3.886 2.456 4.819 . 0 0 "[ . 1 . 2]" 1
991 1 70 GLN HA 1 70 GLN HG2 1.800 . 4.230 2.880 2.412 3.705 . 0 0 "[ . 1 . 2]" 1
992 1 70 GLN HA 1 70 GLN HG3 1.800 . 4.230 2.800 2.339 3.718 . 0 0 "[ . 1 . 2]" 1
993 1 71 GLU H 1 71 GLU QG 1.800 . 3.800 2.834 1.757 4.115 0.315 11 0 "[ . 1 . 2]" 1
994 1 71 GLU QB 1 72 PRO HA 1.800 . 4.860 4.666 4.558 5.042 0.182 11 0 "[ . 1 . 2]" 1
995 1 72 PRO HA 1 73 ARG H 1.800 . 3.030 2.314 2.148 2.531 . 0 0 "[ . 1 . 2]" 1
996 1 72 PRO HB2 1 73 ARG H 1.800 . 4.430 3.259 2.338 3.813 . 0 0 "[ . 1 . 2]" 1
997 1 72 PRO HB3 1 73 ARG H 1.800 . 4.430 3.349 2.725 4.163 . 0 0 "[ . 1 . 2]" 1
998 1 73 ARG H 1 73 ARG QD 1.800 . 4.730 3.962 3.013 4.402 . 0 0 "[ . 1 . 2]" 1
999 1 73 ARG H 1 73 ARG QG 1.800 . 3.720 2.385 1.789 3.959 0.239 18 0 "[ . 1 . 2]" 1
1000 1 73 ARG HA 1 73 ARG QG 1.800 . 3.850 2.540 2.294 3.320 . 0 0 "[ . 1 . 2]" 1
1001 1 73 ARG HA 1 74 LYS H 1.800 . 3.110 2.210 2.123 2.385 . 0 0 "[ . 1 . 2]" 1
1002 1 73 ARG QB 1 73 ARG QD 1.800 . 3.180 2.272 2.127 2.818 . 0 0 "[ . 1 . 2]" 1
1003 1 73 ARG HB2 1 74 LYS H 1.800 . 4.690 3.964 3.055 4.317 . 0 0 "[ . 1 . 2]" 1
1004 1 73 ARG HB3 1 74 LYS H 1.800 . 4.690 3.241 2.383 4.246 . 0 0 "[ . 1 . 2]" 1
1005 1 73 ARG HE 1 73 ARG QG 1.800 . 3.530 2.663 2.257 3.264 . 0 0 "[ . 1 . 2]" 1
1006 1 73 ARG QG 1 74 LYS H 1.800 . 4.920 3.941 2.605 4.608 . 0 0 "[ . 1 . 2]" 1
1007 1 74 LYS H 1 75 GLY H 1.800 . 6.340 3.874 2.380 4.442 . 0 0 "[ . 1 . 2]" 1
1008 1 74 LYS HA 1 74 LYS QD 1.800 . 4.230 3.553 2.130 4.254 0.024 9 0 "[ . 1 . 2]" 1
1009 1 74 LYS HA 1 74 LYS HG2 1.800 . 3.810 2.663 2.370 3.653 . 0 0 "[ . 1 . 2]" 1
1010 1 74 LYS HA 1 74 LYS HG3 1.800 . 3.810 3.135 2.421 3.821 0.011 20 0 "[ . 1 . 2]" 1
1011 1 74 LYS HA 1 75 GLY H 1.800 . 3.950 2.658 2.176 3.572 . 0 0 "[ . 1 . 2]" 1
1012 1 74 LYS QD 1 78 GLU QG 1.800 . 4.550 3.849 2.257 4.661 0.111 16 0 "[ . 1 . 2]" 1
1013 1 74 LYS QE 1 74 LYS HG2 1.800 . 4.050 2.567 2.235 3.302 . 0 0 "[ . 1 . 2]" 1
1014 1 74 LYS QE 1 74 LYS HG3 1.800 . 4.050 2.638 2.249 3.543 . 0 0 "[ . 1 . 2]" 1
1015 1 74 LYS QG 1 78 GLU QB 1.800 . 5.000 3.810 2.107 4.509 . 0 0 "[ . 1 . 2]" 1
1016 1 75 GLY H 1 78 GLU H 1.800 . 5.000 4.052 3.744 4.551 . 0 0 "[ . 1 . 2]" 1
1017 1 75 GLY H 1 78 GLU HB2 1.800 . 4.270 2.915 2.116 4.332 0.062 20 0 "[ . 1 . 2]" 1
1018 1 75 GLY H 1 78 GLU HB3 1.800 . 4.270 3.338 2.338 4.270 . 11 0 "[ . 1 . 2]" 1
1019 1 75 GLY QA 1 77 ASP H 1.800 . 4.900 3.459 2.992 3.547 . 0 0 "[ . 1 . 2]" 1
1020 1 75 GLY QA 1 78 GLU H 1.800 . 5.200 3.213 2.955 3.471 . 0 0 "[ . 1 . 2]" 1
1021 1 76 TYR H 1 76 TYR HB2 1.800 . 3.910 2.577 2.463 2.639 . 0 0 "[ . 1 . 2]" 1
1022 1 76 TYR H 1 76 TYR HB3 1.800 . 3.910 2.494 2.459 2.589 . 0 0 "[ . 1 . 2]" 1
1023 1 76 TYR H 1 76 TYR QD 1.800 . 4.530 4.186 4.167 4.209 . 0 0 "[ . 1 . 2]" 1
1024 1 76 TYR H 1 77 ASP H 1.800 . 3.640 2.717 2.603 2.763 . 0 0 "[ . 1 . 2]" 1
1025 1 76 TYR HA 1 76 TYR QD 1.800 . 3.810 2.552 2.339 2.934 . 0 0 "[ . 1 . 2]" 1
1026 1 76 TYR HA 1 79 ILE H 1.800 . 4.640 3.718 3.615 3.790 . 0 0 "[ . 1 . 2]" 1
1027 1 76 TYR HA 1 79 ILE HB 1.800 . 4.950 5.013 4.546 5.125 0.175 4 0 "[ . 1 . 2]" 1
1028 1 76 TYR HA 1 79 ILE MG 1.800 . 4.000 3.670 2.198 3.868 . 0 0 "[ . 1 . 2]" 1
1029 1 76 TYR HB2 1 77 ASP H 1.800 . 4.240 3.870 3.785 4.148 . 0 0 "[ . 1 . 2]" 1
1030 1 76 TYR HB3 1 77 ASP H 1.800 . 4.240 2.537 2.440 3.028 . 0 0 "[ . 1 . 2]" 1
1031 1 76 TYR QD 1 77 ASP H 1.800 . 4.010 3.453 3.061 3.908 . 0 0 "[ . 1 . 2]" 1
1032 1 76 TYR QD 1 77 ASP HA 1.800 . 4.490 3.505 2.909 3.895 . 0 0 "[ . 1 . 2]" 1
1033 1 76 TYR QD 1 79 ILE MG 1.800 . 5.000 4.939 3.672 5.143 0.143 14 0 "[ . 1 . 2]" 1
1034 1 76 TYR QD 1 80 LEU MD1 1.800 . 5.000 3.828 2.726 5.067 0.067 10 0 "[ . 1 . 2]" 1
1035 1 76 TYR QD 1 80 LEU MD2 1.800 . 5.000 4.290 3.598 5.221 0.221 17 0 "[ . 1 . 2]" 1
1036 1 76 TYR QE 1 80 LEU MD1 1.800 . 5.000 3.006 2.189 3.978 . 0 0 "[ . 1 . 2]" 1
1037 1 76 TYR QE 1 80 LEU MD2 1.800 . 5.000 3.167 2.333 4.271 . 0 0 "[ . 1 . 2]" 1
1038 1 77 ASP H 1 78 GLU H 1.800 . 3.320 2.594 2.390 2.757 . 0 0 "[ . 1 . 2]" 1
1039 1 77 ASP H 1 79 ILE H 1.800 . 4.610 4.424 4.192 4.633 0.023 17 0 "[ . 1 . 2]" 1
1040 1 77 ASP HA 1 80 LEU H 1.800 . 4.490 3.476 3.352 3.668 . 0 0 "[ . 1 . 2]" 1
1041 1 77 ASP HA 1 80 LEU QB 1.800 . 4.680 2.527 2.218 3.576 . 0 0 "[ . 1 . 2]" 1
1042 1 77 ASP HA 1 80 LEU MD1 1.800 . 5.100 3.554 2.073 5.128 0.028 15 0 "[ . 1 . 2]" 1
1043 1 77 ASP HA 1 80 LEU HG 1.800 . 5.000 4.182 2.561 4.966 . 0 0 "[ . 1 . 2]" 1
1044 1 78 GLU H 1 78 GLU HB2 1.800 . 3.820 2.434 2.304 2.542 . 0 0 "[ . 1 . 2]" 1
1045 1 78 GLU H 1 78 GLU HB3 1.800 . 3.820 3.122 2.565 3.617 . 0 0 "[ . 1 . 2]" 1
1046 1 78 GLU H 1 78 GLU QG 1.800 . 4.200 3.265 2.053 4.077 . 0 0 "[ . 1 . 2]" 1
1047 1 78 GLU H 1 79 ILE H 1.800 . 3.350 2.741 2.585 2.904 . 0 0 "[ . 1 . 2]" 1
1048 1 78 GLU HA 1 78 GLU HG2 1.800 . 3.760 3.153 2.311 3.710 . 0 0 "[ . 1 . 2]" 1
1049 1 78 GLU HA 1 78 GLU HG3 1.800 . 3.760 3.030 2.261 3.738 . 0 0 "[ . 1 . 2]" 1
1050 1 78 GLU QB 1 79 ILE H 1.800 . 3.470 2.399 2.182 2.534 . 0 0 "[ . 1 . 2]" 1
1051 1 78 GLU HB2 1 79 ILE H 1.800 . 3.970 3.093 2.214 3.849 . 0 0 "[ . 1 . 2]" 1
1052 1 78 GLU HB3 1 79 ILE H 1.800 . 3.970 2.912 2.297 3.520 . 0 0 "[ . 1 . 2]" 1
1053 1 79 ILE H 1 79 ILE HB 1.800 . 3.780 3.575 2.668 3.654 . 0 0 "[ . 1 . 2]" 1
1054 1 79 ILE H 1 79 ILE MD 1.800 . 3.940 3.632 3.504 4.279 0.339 9 0 "[ . 1 . 2]" 1
1055 1 79 ILE H 1 79 ILE MG 1.800 . 3.830 2.231 1.816 2.375 . 0 0 "[ . 1 . 2]" 1
1056 1 79 ILE H 1 80 LEU H 1.800 . 3.310 2.611 2.526 2.728 . 0 0 "[ . 1 . 2]" 1
1057 1 79 ILE HA 1 79 ILE MD 1.800 . 4.180 4.125 3.789 4.165 . 0 0 "[ . 1 . 2]" 1
1058 1 79 ILE HA 1 79 ILE QG 1.800 . 3.550 3.265 2.433 3.323 . 0 0 "[ . 1 . 2]" 1
1059 1 79 ILE HB 1 79 ILE MD 1.800 . 3.610 2.304 2.245 2.368 . 0 0 "[ . 1 . 2]" 1
1060 1 79 ILE HB 1 80 LEU H 1.800 . 4.470 3.751 3.536 4.071 . 0 0 "[ . 1 . 2]" 1
1061 1 79 ILE MD 1 79 ILE MG 1.800 . 3.230 1.930 1.795 2.130 0.005 13 0 "[ . 1 . 2]" 1
1062 1 79 ILE MD 1 80 LEU H 1.800 . 5.080 3.846 3.660 4.688 . 0 0 "[ . 1 . 2]" 1
1063 1 79 ILE HG12 1 79 ILE MG 1.800 . 3.380 2.298 2.217 2.346 . 0 0 "[ . 1 . 2]" 1
1064 1 79 ILE HG13 1 79 ILE MG 1.800 . 3.380 3.191 3.174 3.203 . 0 0 "[ . 1 . 2]" 1
1065 1 79 ILE MG 1 80 LEU H 1.800 . 4.600 3.883 2.214 4.095 . 0 0 "[ . 1 . 2]" 1
1066 1 80 LEU H 1 80 LEU HB2 1.800 . 3.660 2.445 2.218 2.616 . 0 0 "[ . 1 . 2]" 1
1067 1 80 LEU H 1 80 LEU HB3 1.800 . 3.660 3.080 2.499 3.614 . 0 0 "[ . 1 . 2]" 1
1068 1 80 LEU HA 1 80 LEU MD1 1.800 . 4.550 3.033 2.077 3.839 . 0 0 "[ . 1 . 2]" 1
1069 1 80 LEU HA 1 80 LEU MD2 1.800 . 4.100 2.908 2.126 3.828 . 0 0 "[ . 1 . 2]" 1
1070 1 80 LEU HA 1 80 LEU HG 1.800 . 3.890 2.908 2.364 3.147 . 0 0 "[ . 1 . 2]" 1
1071 1 80 LEU MD1 1 81 GLU H 1.800 . 5.380 4.485 4.313 4.748 . 0 0 "[ . 1 . 2]" 1
1072 1 80 LEU MD2 1 81 GLU H 1.800 . 5.500 4.459 3.786 4.742 . 0 0 "[ . 1 . 2]" 1
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