NMR Restraints Grid
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NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
399843 |
1ug0   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1ug0
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 847
_Distance_constraint_stats_list.Viol_count 1239
_Distance_constraint_stats_list.Viol_total 1699.124
_Distance_constraint_stats_list.Viol_max 0.759
_Distance_constraint_stats_list.Viol_rms 0.0300
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0050
_Distance_constraint_stats_list.Viol_average_violations_only 0.0686
_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 8 GLU 3.102 0.346 17 0 "[ . 1 . 2]"
1 9 GLU 2.279 0.346 17 0 "[ . 1 . 2]"
1 10 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 TYR 0.655 0.085 3 0 "[ . 1 . 2]"
1 12 GLU 1.705 0.134 14 0 "[ . 1 . 2]"
1 13 GLN 3.149 0.390 3 0 "[ . 1 . 2]"
1 14 TRP 7.657 0.462 13 0 "[ . 1 . 2]"
1 15 LEU 6.940 0.462 13 0 "[ . 1 . 2]"
1 16 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 ILE 1.943 0.128 14 0 "[ . 1 . 2]"
1 18 LYS 1.289 0.300 8 0 "[ . 1 . 2]"
1 19 VAL 0.940 0.315 19 0 "[ . 1 . 2]"
1 20 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 PRO 1.778 0.097 15 0 "[ . 1 . 2]"
1 22 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 GLU 1.929 0.136 12 0 "[ . 1 . 2]"
1 24 GLY 0.054 0.023 9 0 "[ . 1 . 2]"
1 25 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 THR 0.129 0.059 12 0 "[ . 1 . 2]"
1 28 ARG 1.446 0.538 12 1 "[ . 1 + . 2]"
1 29 ARG 4.026 0.538 12 1 "[ . 1 + . 2]"
1 30 VAL 0.365 0.059 12 0 "[ . 1 . 2]"
1 31 ILE 3.885 0.626 12 2 "[ . 1 + . - 2]"
1 32 GLU 0.751 0.092 8 0 "[ . 1 . 2]"
1 33 LYS 1.912 0.103 9 0 "[ . 1 . 2]"
1 34 LEU 3.310 0.626 12 2 "[ . 1 + . - 2]"
1 35 ALA 0.432 0.084 16 0 "[ . 1 . 2]"
1 36 ARG 2.109 0.174 15 0 "[ . 1 . 2]"
1 37 PHE 0.740 0.114 5 0 "[ . 1 . 2]"
1 38 VAL 2.483 0.161 14 0 "[ . 1 . 2]"
1 39 ALA 0.491 0.060 12 0 "[ . 1 . 2]"
1 40 GLU 1.073 0.161 14 0 "[ . 1 . 2]"
1 41 GLY 0.234 0.032 16 0 "[ . 1 . 2]"
1 42 GLY 5.280 0.325 20 0 "[ . 1 . 2]"
1 43 PRO 6.847 0.398 7 0 "[ . 1 . 2]"
1 44 GLU 0.548 0.164 12 0 "[ . 1 . 2]"
1 45 LEU 3.068 0.164 12 0 "[ . 1 . 2]"
1 46 GLU 1.768 0.096 4 0 "[ . 1 . 2]"
1 47 LYS 2.170 0.398 7 0 "[ . 1 . 2]"
1 48 VAL 0.103 0.018 20 0 "[ . 1 . 2]"
1 49 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 MET 0.203 0.024 13 0 "[ . 1 . 2]"
1 51 GLU 0.368 0.038 8 0 "[ . 1 . 2]"
1 52 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 TYR 0.073 0.023 15 0 "[ . 1 . 2]"
1 54 LYS 0.109 0.037 3 0 "[ . 1 . 2]"
1 55 ASP 0.208 0.053 2 0 "[ . 1 . 2]"
1 56 ASN 0.528 0.119 10 0 "[ . 1 . 2]"
1 57 PRO 0.158 0.041 10 0 "[ . 1 . 2]"
1 58 ALA 1.028 0.146 10 0 "[ . 1 . 2]"
1 59 PHE 5.448 0.211 20 0 "[ . 1 . 2]"
1 60 THR 0.076 0.019 13 0 "[ . 1 . 2]"
1 61 PHE 4.814 0.211 20 0 "[ . 1 . 2]"
1 62 LEU 0.654 0.074 2 0 "[ . 1 . 2]"
1 63 HIS 1.579 0.154 2 0 "[ . 1 . 2]"
1 64 ASP 1.275 0.505 8 1 "[ . + 1 . 2]"
1 65 LYS 0.616 0.072 13 0 "[ . 1 . 2]"
1 66 ASN 1.638 0.759 2 1 "[ + . 1 . 2]"
1 67 SER 2.674 0.759 2 2 "[ + . - 1 . 2]"
1 68 ARG 0.994 0.123 20 0 "[ . 1 . 2]"
1 69 GLU 2.000 0.284 10 0 "[ . 1 . 2]"
1 70 PHE 0.487 0.064 15 0 "[ . 1 . 2]"
1 71 LEU 2.141 0.250 9 0 "[ . 1 . 2]"
1 72 TYR 4.207 0.300 8 0 "[ . 1 . 2]"
1 73 TYR 2.700 0.153 5 0 "[ . 1 . 2]"
1 74 ARG 1.804 0.486 7 0 "[ . 1 . 2]"
1 75 ARG 9.332 0.631 7 3 "[ *. + 1 . -2]"
1 76 LYS 6.795 0.499 7 0 "[ . 1 . 2]"
1 77 VAL 2.892 0.241 17 0 "[ . 1 . 2]"
1 78 ALA 0.992 0.138 20 0 "[ . 1 . 2]"
1 79 GLU 0.897 0.322 19 0 "[ . 1 . 2]"
1 80 ILE 6.062 0.174 15 0 "[ . 1 . 2]"
1 81 ARG 1.388 0.138 9 0 "[ . 1 . 2]"
1 82 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 SER 0.116 0.036 10 0 "[ . 1 . 2]"
1 84 GLY 0.116 0.036 10 0 "[ . 1 . 2]"
1 85 PRO 0.409 0.093 14 0 "[ . 1 . 2]"
1 86 SER 0.409 0.093 14 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 8 GLU H 1 8 GLU HB2 . . 3.630 2.879 2.105 3.693 0.063 7 0 "[ . 1 . 2]" 1
2 1 8 GLU H 1 8 GLU HB3 . . 3.550 3.298 2.414 3.646 0.096 11 0 "[ . 1 . 2]" 1
3 1 8 GLU H 1 8 GLU QG . . 4.770 3.587 1.915 4.373 . 0 0 "[ . 1 . 2]" 1
4 1 8 GLU HA 1 8 GLU QG . . 3.440 2.405 2.032 3.406 . 0 0 "[ . 1 . 2]" 1
5 1 8 GLU HA 1 9 GLU H . . 3.570 3.035 2.203 3.645 0.075 9 0 "[ . 1 . 2]" 1
6 1 8 GLU HB2 1 8 GLU QG . . 2.400 2.351 2.181 2.564 0.164 16 0 "[ . 1 . 2]" 1
7 1 8 GLU HB2 1 9 GLU H . . 4.370 3.776 2.512 4.716 0.346 17 0 "[ . 1 . 2]" 1
8 1 9 GLU H 1 9 GLU HB2 . . 3.660 2.456 2.020 3.608 . 0 0 "[ . 1 . 2]" 1
9 1 9 GLU H 1 9 GLU HB3 . . 3.700 3.141 2.261 3.559 . 0 0 "[ . 1 . 2]" 1
10 1 9 GLU H 1 9 GLU QG . . 4.140 2.958 2.154 3.818 . 0 0 "[ . 1 . 2]" 1
11 1 9 GLU H 1 10 ASP H . . 5.190 2.827 2.351 2.954 . 0 0 "[ . 1 . 2]" 1
12 1 9 GLU H 1 10 ASP HA . . 5.500 5.216 4.702 5.352 . 0 0 "[ . 1 . 2]" 1
13 1 9 GLU HA 1 9 GLU QG . . 3.250 2.408 2.025 3.329 0.079 2 0 "[ . 1 . 2]" 1
14 1 9 GLU HB2 1 10 ASP H . . 4.940 3.584 3.035 4.396 . 0 0 "[ . 1 . 2]" 1
15 1 10 ASP HB3 1 11 TYR H . . 5.500 3.715 3.040 4.173 . 0 0 "[ . 1 . 2]" 1
16 1 11 TYR H 1 11 TYR HB2 . . 4.040 3.376 3.280 3.419 . 0 0 "[ . 1 . 2]" 1
17 1 11 TYR H 1 11 TYR HB3 . . 3.900 2.065 1.949 2.158 . 0 0 "[ . 1 . 2]" 1
18 1 11 TYR H 1 11 TYR QD . . 4.550 2.767 2.572 3.115 . 0 0 "[ . 1 . 2]" 1
19 1 11 TYR H 1 12 GLU H . . 3.870 2.857 2.804 2.969 . 0 0 "[ . 1 . 2]" 1
20 1 11 TYR HA 1 11 TYR QD . . 4.190 3.631 3.506 3.684 . 0 0 "[ . 1 . 2]" 1
21 1 11 TYR HA 1 14 TRP QB . . 4.140 3.959 3.576 4.199 0.059 11 0 "[ . 1 . 2]" 1
22 1 11 TYR HA 1 14 TRP HD1 . . 3.910 3.434 2.970 3.995 0.085 3 0 "[ . 1 . 2]" 1
23 1 11 TYR HB2 1 12 GLU H . . 4.800 4.152 4.025 4.234 . 0 0 "[ . 1 . 2]" 1
24 1 11 TYR HB2 1 78 ALA HA . . 3.730 3.606 3.207 3.772 0.042 6 0 "[ . 1 . 2]" 1
25 1 11 TYR HB2 1 78 ALA MB . . 3.780 2.324 1.959 2.816 . 0 0 "[ . 1 . 2]" 1
26 1 11 TYR HB3 1 78 ALA MB . . 4.800 3.632 3.263 4.007 . 0 0 "[ . 1 . 2]" 1
27 1 11 TYR QD 1 12 GLU HA . . 3.490 2.924 2.638 3.399 . 0 0 "[ . 1 . 2]" 1
28 1 11 TYR QD 1 78 ALA HA . . 4.980 4.612 4.412 5.008 0.028 17 0 "[ . 1 . 2]" 1
29 1 11 TYR QD 1 78 ALA MB . . 3.800 3.170 2.823 3.654 . 0 0 "[ . 1 . 2]" 1
30 1 11 TYR QE 1 12 GLU HA . . 4.660 3.687 3.417 3.953 . 0 0 "[ . 1 . 2]" 1
31 1 11 TYR QE 1 12 GLU QB . . 4.320 2.425 2.070 2.731 . 0 0 "[ . 1 . 2]" 1
32 1 11 TYR QE 1 12 GLU QG . . 4.590 3.984 3.102 4.472 . 0 0 "[ . 1 . 2]" 1
33 1 12 GLU H 1 12 GLU QB . . 3.440 2.531 2.192 2.809 . 0 0 "[ . 1 . 2]" 1
34 1 12 GLU H 1 12 GLU QG . . 3.880 2.663 2.106 3.857 . 0 0 "[ . 1 . 2]" 1
35 1 12 GLU H 1 13 GLN H . . 3.470 2.100 1.928 2.253 . 0 0 "[ . 1 . 2]" 1
36 1 12 GLU H 1 13 GLN HA . . 4.720 4.636 4.531 4.759 0.039 1 0 "[ . 1 . 2]" 1
37 1 12 GLU H 1 14 TRP H . . 4.860 3.829 3.569 3.990 . 0 0 "[ . 1 . 2]" 1
38 1 12 GLU HA 1 12 GLU QG . . 3.210 3.168 2.620 3.344 0.134 14 0 "[ . 1 . 2]" 1
39 1 12 GLU HA 1 15 LEU H . . 4.690 3.116 2.944 3.517 . 0 0 "[ . 1 . 2]" 1
40 1 12 GLU HA 1 15 LEU QD . . 3.770 3.014 2.588 3.311 . 0 0 "[ . 1 . 2]" 1
41 1 12 GLU QB 1 15 LEU H . . 4.730 4.425 4.213 4.715 . 0 0 "[ . 1 . 2]" 1
42 1 12 GLU QB 1 15 LEU QD . . 3.660 3.296 2.379 3.609 . 0 0 "[ . 1 . 2]" 1
43 1 12 GLU QG 1 13 GLN HA . . 3.360 3.166 2.936 3.369 0.009 6 0 "[ . 1 . 2]" 1
44 1 13 GLN H 1 13 GLN QB . . 3.150 2.137 2.059 2.272 . 0 0 "[ . 1 . 2]" 1
45 1 13 GLN H 1 13 GLN HG2 . . 4.280 3.309 2.701 3.701 . 0 0 "[ . 1 . 2]" 1
46 1 13 GLN H 1 13 GLN HG3 . . 3.840 3.267 2.846 4.230 0.390 3 0 "[ . 1 . 2]" 1
47 1 13 GLN H 1 14 TRP H . . 2.640 2.647 2.500 2.705 0.065 6 0 "[ . 1 . 2]" 1
48 1 13 GLN H 1 15 LEU H . . 5.350 4.170 3.960 4.497 . 0 0 "[ . 1 . 2]" 1
49 1 13 GLN HA 1 13 GLN HG3 . . 3.960 3.536 3.346 3.604 . 0 0 "[ . 1 . 2]" 1
50 1 13 GLN HA 1 14 TRP H . . 3.630 3.431 3.406 3.474 . 0 0 "[ . 1 . 2]" 1
51 1 13 GLN QB 1 14 TRP H . . 3.940 3.732 3.594 3.822 . 0 0 "[ . 1 . 2]" 1
52 1 13 GLN QB 1 14 TRP HD1 . . 4.010 3.957 3.849 4.046 0.036 20 0 "[ . 1 . 2]" 1
53 1 13 GLN QB 1 14 TRP HE1 . . 5.300 5.365 5.288 5.455 0.155 5 0 "[ . 1 . 2]" 1
54 1 13 GLN HG3 1 14 TRP H . . 5.130 2.953 2.536 4.053 . 0 0 "[ . 1 . 2]" 1
55 1 13 GLN HG3 1 17 ILE MD . . 4.540 3.772 2.841 4.107 . 0 0 "[ . 1 . 2]" 1
56 1 14 TRP H 1 14 TRP QB . . 3.710 2.244 2.193 2.283 . 0 0 "[ . 1 . 2]" 1
57 1 14 TRP H 1 14 TRP HD1 . . 4.280 2.592 2.269 2.794 . 0 0 "[ . 1 . 2]" 1
58 1 14 TRP H 1 15 LEU H . . 2.710 2.279 2.139 2.422 . 0 0 "[ . 1 . 2]" 1
59 1 14 TRP H 1 15 LEU HB3 . . 5.430 5.481 5.125 5.892 0.462 13 0 "[ . 1 . 2]" 1
60 1 14 TRP H 1 15 LEU QD . . 4.440 4.216 4.129 4.292 . 0 0 "[ . 1 . 2]" 1
61 1 14 TRP HA 1 14 TRP HD1 . . 3.820 3.545 3.460 3.645 . 0 0 "[ . 1 . 2]" 1
62 1 14 TRP HA 1 14 TRP HE3 . . 4.350 3.856 3.737 4.001 . 0 0 "[ . 1 . 2]" 1
63 1 14 TRP HA 1 16 GLU H . . 5.500 3.852 3.446 4.294 . 0 0 "[ . 1 . 2]" 1
64 1 14 TRP HA 1 17 ILE MD . . 4.020 1.920 1.809 2.169 . 0 0 "[ . 1 . 2]" 1
65 1 14 TRP HA 1 17 ILE MG . . 5.500 5.378 4.648 5.574 0.074 6 0 "[ . 1 . 2]" 1
66 1 14 TRP QB 1 14 TRP HE3 . . 3.470 2.328 2.310 2.350 . 0 0 "[ . 1 . 2]" 1
67 1 14 TRP QB 1 15 LEU H . . 4.230 2.945 2.536 3.334 . 0 0 "[ . 1 . 2]" 1
68 1 14 TRP QB 1 15 LEU QD . . 3.780 3.410 3.140 3.637 . 0 0 "[ . 1 . 2]" 1
69 1 14 TRP QB 1 17 ILE MD . . 4.110 3.388 3.172 3.870 . 0 0 "[ . 1 . 2]" 1
70 1 14 TRP QB 1 78 ALA MB . . 3.480 3.372 3.027 3.548 0.068 18 0 "[ . 1 . 2]" 1
71 1 14 TRP HD1 1 17 ILE MD . . 4.530 4.601 4.561 4.642 0.112 2 0 "[ . 1 . 2]" 1
72 1 14 TRP HD1 1 78 ALA MB . . 4.650 4.593 4.139 4.699 0.049 19 0 "[ . 1 . 2]" 1
73 1 14 TRP HE3 1 17 ILE MD . . 4.150 3.904 3.536 4.169 0.019 19 0 "[ . 1 . 2]" 1
74 1 14 TRP HE3 1 78 ALA MB . . 5.500 5.411 5.211 5.519 0.019 18 0 "[ . 1 . 2]" 1
75 1 15 LEU H 1 15 LEU HB2 . . 3.440 2.124 1.978 2.350 . 0 0 "[ . 1 . 2]" 1
76 1 15 LEU H 1 15 LEU HB3 . . 3.390 3.319 3.095 3.538 0.148 15 0 "[ . 1 . 2]" 1
77 1 15 LEU H 1 15 LEU QD . . 4.310 2.847 2.471 3.165 . 0 0 "[ . 1 . 2]" 1
78 1 15 LEU HA 1 15 LEU QD . . 4.240 1.968 1.838 2.179 . 0 0 "[ . 1 . 2]" 1
79 1 15 LEU HA 1 15 LEU HG . . 3.780 2.904 2.539 3.342 . 0 0 "[ . 1 . 2]" 1
80 1 15 LEU HB2 1 15 LEU QD . . 3.110 2.215 2.042 2.462 . 0 0 "[ . 1 . 2]" 1
81 1 15 LEU HB2 1 16 GLU H . . 5.500 3.297 2.827 3.611 . 0 0 "[ . 1 . 2]" 1
82 1 15 LEU HB3 1 16 GLU H . . 5.320 3.522 2.942 4.085 . 0 0 "[ . 1 . 2]" 1
83 1 15 LEU QD 1 18 LYS QD . . 3.430 3.274 2.899 3.429 . 0 0 "[ . 1 . 2]" 1
84 1 15 LEU QD 1 18 LYS QE . . 4.150 3.208 1.963 3.944 . 0 0 "[ . 1 . 2]" 1
85 1 15 LEU QD 1 75 ARG QB . . 2.970 2.927 2.639 3.085 0.115 18 0 "[ . 1 . 2]" 1
86 1 15 LEU QD 1 76 LYS H . . 3.760 3.630 3.317 3.798 0.038 6 0 "[ . 1 . 2]" 1
87 1 15 LEU QD 1 76 LYS HA . . 4.020 1.920 1.853 2.036 . 0 0 "[ . 1 . 2]" 1
88 1 15 LEU QD 1 76 LYS HD2 . . 3.520 2.877 1.864 3.282 . 0 0 "[ . 1 . 2]" 1
89 1 15 LEU QD 1 76 LYS HD3 . . 3.370 1.891 1.706 2.070 . 0 0 "[ . 1 . 2]" 1
90 1 15 LEU QD 1 76 LYS HE2 . . 4.180 2.869 2.105 3.870 . 0 0 "[ . 1 . 2]" 1
91 1 15 LEU QD 1 76 LYS HE3 . . 4.010 3.532 3.169 3.942 . 0 0 "[ . 1 . 2]" 1
92 1 15 LEU QD 1 79 GLU H . . 5.500 3.264 2.905 3.497 . 0 0 "[ . 1 . 2]" 1
93 1 15 LEU QD 1 79 GLU HA . . 3.820 3.486 3.105 3.767 . 0 0 "[ . 1 . 2]" 1
94 1 15 LEU QD 1 79 GLU HB2 . . 3.710 1.888 1.671 2.192 . 0 0 "[ . 1 . 2]" 1
95 1 15 LEU QD 1 79 GLU HB3 . . 4.230 2.542 2.159 3.127 . 0 0 "[ . 1 . 2]" 1
96 1 15 LEU QD 1 79 GLU QG . . 3.890 1.930 1.677 2.326 . 0 0 "[ . 1 . 2]" 1
97 1 15 LEU HG 1 76 LYS HG2 . . 4.020 4.112 3.856 4.374 0.354 19 0 "[ . 1 . 2]" 1
98 1 16 GLU H 1 16 GLU QB . . 3.600 2.558 2.086 2.676 . 0 0 "[ . 1 . 2]" 1
99 1 16 GLU H 1 16 GLU QG . . 3.920 2.144 1.884 3.767 . 0 0 "[ . 1 . 2]" 1
100 1 16 GLU H 1 17 ILE H . . 3.640 2.716 2.560 2.916 . 0 0 "[ . 1 . 2]" 1
101 1 16 GLU HA 1 16 GLU QG . . 2.970 2.490 2.319 2.732 . 0 0 "[ . 1 . 2]" 1
102 1 16 GLU QB 1 17 ILE H . . 4.900 2.827 2.528 3.269 . 0 0 "[ . 1 . 2]" 1
103 1 16 GLU QB 1 17 ILE QG . . 3.030 2.405 2.270 2.968 . 0 0 "[ . 1 . 2]" 1
104 1 16 GLU QG 1 17 ILE H . . 4.690 3.825 3.502 4.111 . 0 0 "[ . 1 . 2]" 1
105 1 16 GLU QG 1 17 ILE MD . . 4.200 3.617 3.306 3.947 . 0 0 "[ . 1 . 2]" 1
106 1 17 ILE H 1 17 ILE HB . . 3.580 3.024 2.807 3.302 . 0 0 "[ . 1 . 2]" 1
107 1 17 ILE H 1 17 ILE MD . . 4.600 2.045 1.825 3.499 . 0 0 "[ . 1 . 2]" 1
108 1 17 ILE H 1 17 ILE QG . . 3.990 2.274 1.930 2.493 . 0 0 "[ . 1 . 2]" 1
109 1 17 ILE HA 1 17 ILE MD . . 4.170 3.709 3.614 4.024 . 0 0 "[ . 1 . 2]" 1
110 1 17 ILE HA 1 17 ILE QG . . 3.840 2.866 2.674 3.125 . 0 0 "[ . 1 . 2]" 1
111 1 17 ILE HA 1 17 ILE MG . . 3.360 2.002 1.942 2.134 . 0 0 "[ . 1 . 2]" 1
112 1 17 ILE HB 1 17 ILE MD . . 3.590 2.087 1.982 2.192 . 0 0 "[ . 1 . 2]" 1
113 1 17 ILE MD 1 18 LYS H . . 5.500 4.942 4.558 5.628 0.128 14 0 "[ . 1 . 2]" 1
114 1 17 ILE QG 1 17 ILE MG . . 3.110 2.046 1.958 2.335 . 0 0 "[ . 1 . 2]" 1
115 1 18 LYS HA 1 18 LYS QD . . 3.610 2.117 1.928 2.500 . 0 0 "[ . 1 . 2]" 1
116 1 18 LYS HA 1 18 LYS HG2 . . 4.240 3.198 2.442 3.537 . 0 0 "[ . 1 . 2]" 1
117 1 18 LYS HA 1 19 VAL H . . 3.140 2.511 2.386 2.759 . 0 0 "[ . 1 . 2]" 1
118 1 18 LYS HA 1 19 VAL QG . . 5.500 3.286 3.070 3.580 . 0 0 "[ . 1 . 2]" 1
119 1 18 LYS HB3 1 19 VAL H . . 5.000 2.698 1.970 3.220 . 0 0 "[ . 1 . 2]" 1
120 1 18 LYS QD 1 18 LYS HG3 . . 2.490 2.378 2.201 2.569 0.079 1 0 "[ . 1 . 2]" 1
121 1 18 LYS QD 1 72 TYR QE . . 4.170 2.387 1.864 4.058 . 0 0 "[ . 1 . 2]" 1
122 1 18 LYS QE 1 18 LYS HG3 . . 3.420 2.565 2.120 2.918 . 0 0 "[ . 1 . 2]" 1
123 1 18 LYS QE 1 76 LYS HG2 . . 4.300 3.632 2.565 4.319 0.019 11 0 "[ . 1 . 2]" 1
124 1 18 LYS QE 1 76 LYS HG3 . . 4.430 4.117 3.353 4.472 0.042 16 0 "[ . 1 . 2]" 1
125 1 18 LYS HG3 1 72 TYR QE . . 4.350 3.019 1.991 4.650 0.300 8 0 "[ . 1 . 2]" 1
126 1 19 VAL H 1 19 VAL QG . . 3.880 2.165 1.831 2.705 . 0 0 "[ . 1 . 2]" 1
127 1 19 VAL HA 1 20 SER H . . 3.510 2.337 2.183 2.503 . 0 0 "[ . 1 . 2]" 1
128 1 19 VAL QG 1 20 SER H . . 4.450 2.728 2.018 3.204 . 0 0 "[ . 1 . 2]" 1
129 1 19 VAL QG 1 20 SER HA . . 4.100 3.702 3.390 4.021 . 0 0 "[ . 1 . 2]" 1
130 1 19 VAL QG 1 71 LEU H . . 4.910 3.507 3.237 3.925 . 0 0 "[ . 1 . 2]" 1
131 1 19 VAL QG 1 71 LEU HB2 . . 3.300 2.099 1.845 2.754 . 0 0 "[ . 1 . 2]" 1
132 1 19 VAL QG 1 71 LEU HB3 . . 4.940 2.470 1.954 3.045 . 0 0 "[ . 1 . 2]" 1
133 1 19 VAL QG 1 72 TYR H . . 4.320 2.139 1.849 2.418 . 0 0 "[ . 1 . 2]" 1
134 1 19 VAL QG 1 72 TYR HA . . 3.400 1.876 1.746 2.014 . 0 0 "[ . 1 . 2]" 1
135 1 19 VAL QG 1 72 TYR HB2 . . 3.930 2.032 1.639 2.530 . 0 0 "[ . 1 . 2]" 1
136 1 19 VAL QG 1 72 TYR HB3 . . 4.760 3.097 2.429 3.603 . 0 0 "[ . 1 . 2]" 1
137 1 19 VAL QG 1 72 TYR QD . . 3.140 2.270 1.887 2.969 . 0 0 "[ . 1 . 2]" 1
138 1 19 VAL QG 1 72 TYR QE . . 5.020 4.092 3.446 4.536 . 0 0 "[ . 1 . 2]" 1
139 1 19 VAL QG 1 73 TYR H . . 4.240 3.995 3.807 4.123 . 0 0 "[ . 1 . 2]" 1
140 1 19 VAL QG 1 75 ARG H . . 4.020 4.006 3.932 4.177 0.157 18 0 "[ . 1 . 2]" 1
141 1 19 VAL QG 1 75 ARG QB . . 3.920 3.039 2.732 3.544 . 0 0 "[ . 1 . 2]" 1
142 1 19 VAL QG 1 75 ARG HD2 . . 3.890 3.371 1.896 4.205 0.315 19 0 "[ . 1 . 2]" 1
143 1 19 VAL QG 1 75 ARG HD3 . . 4.250 3.590 1.924 4.234 . 0 0 "[ . 1 . 2]" 1
144 1 21 PRO HA 1 22 PRO HD2 . . 3.350 2.965 2.962 2.968 . 0 0 "[ . 1 . 2]" 1
145 1 21 PRO HA 1 22 PRO HD3 . . 3.850 2.192 2.189 2.194 . 0 0 "[ . 1 . 2]" 1
146 1 21 PRO HB2 1 23 GLU QB . . 3.510 2.699 2.623 2.992 . 0 0 "[ . 1 . 2]" 1
147 1 21 PRO HB2 1 24 GLY H . . 4.390 4.348 4.212 4.413 0.023 9 0 "[ . 1 . 2]" 1
148 1 21 PRO HB3 1 22 PRO HD3 . . 4.590 3.116 3.113 3.120 . 0 0 "[ . 1 . 2]" 1
149 1 21 PRO HD2 1 23 GLU H . . 4.170 4.256 4.249 4.267 0.097 15 0 "[ . 1 . 2]" 1
150 1 21 PRO HG2 1 22 PRO HD2 . . 4.490 4.259 4.254 4.267 . 0 0 "[ . 1 . 2]" 1
151 1 21 PRO HG2 1 23 GLU H . . 3.520 3.123 3.119 3.128 . 0 0 "[ . 1 . 2]" 1
152 1 21 PRO HG2 1 24 GLY H . . 4.440 4.083 3.744 4.295 . 0 0 "[ . 1 . 2]" 1
153 1 22 PRO HA 1 23 GLU H . . 3.390 3.206 3.203 3.210 . 0 0 "[ . 1 . 2]" 1
154 1 22 PRO HB2 1 23 GLU H . . 4.270 4.087 4.081 4.091 . 0 0 "[ . 1 . 2]" 1
155 1 23 GLU H 1 24 GLY H . . 3.980 2.510 2.447 2.599 . 0 0 "[ . 1 . 2]" 1
156 1 23 GLU HA 1 23 GLU HG2 . . 3.550 2.686 2.279 3.450 . 0 0 "[ . 1 . 2]" 1
157 1 23 GLU HA 1 23 GLU HG3 . . 4.010 2.353 1.997 2.799 . 0 0 "[ . 1 . 2]" 1
158 1 23 GLU QB 1 23 GLU HG2 . . 2.400 2.335 2.182 2.536 0.136 12 0 "[ . 1 . 2]" 1
159 1 23 GLU QB 1 23 GLU HG3 . . 2.760 2.447 2.246 2.571 . 0 0 "[ . 1 . 2]" 1
160 1 25 ALA MB 1 26 GLU H . . 4.160 2.649 1.947 3.085 . 0 0 "[ . 1 . 2]" 1
161 1 25 ALA MB 1 26 GLU HA . . 4.570 3.824 3.687 3.947 . 0 0 "[ . 1 . 2]" 1
162 1 26 GLU H 1 27 THR H . . 5.500 2.657 2.318 3.097 . 0 0 "[ . 1 . 2]" 1
163 1 26 GLU HA 1 26 GLU QG . . 3.200 2.173 1.985 2.527 . 0 0 "[ . 1 . 2]" 1
164 1 26 GLU QB 1 27 THR H . . 3.600 2.625 2.220 2.990 . 0 0 "[ . 1 . 2]" 1
165 1 27 THR H 1 27 THR HB . . 3.390 2.601 2.346 2.810 . 0 0 "[ . 1 . 2]" 1
166 1 27 THR H 1 27 THR MG . . 4.680 3.643 3.525 3.762 . 0 0 "[ . 1 . 2]" 1
167 1 27 THR H 1 28 ARG H . . 3.930 2.593 2.149 2.930 . 0 0 "[ . 1 . 2]" 1
168 1 27 THR HA 1 27 THR MG . . 3.080 2.275 2.090 2.389 . 0 0 "[ . 1 . 2]" 1
169 1 27 THR HA 1 30 VAL H . . 4.180 3.066 2.880 3.323 . 0 0 "[ . 1 . 2]" 1
170 1 27 THR HA 1 30 VAL HB . . 3.720 3.414 2.378 3.779 0.059 12 0 "[ . 1 . 2]" 1
171 1 27 THR HA 1 30 VAL QG . . 3.880 2.634 1.971 3.191 . 0 0 "[ . 1 . 2]" 1
172 1 27 THR HA 1 31 ILE HG13 . . 5.500 4.044 3.827 4.450 . 0 0 "[ . 1 . 2]" 1
173 1 27 THR HB 1 28 ARG H . . 3.590 3.203 2.793 3.406 . 0 0 "[ . 1 . 2]" 1
174 1 27 THR HB 1 31 ILE HG13 . . 4.450 3.208 2.381 3.660 . 0 0 "[ . 1 . 2]" 1
175 1 27 THR MG 1 28 ARG H . . 4.630 4.158 3.947 4.348 . 0 0 "[ . 1 . 2]" 1
176 1 27 THR MG 1 31 ILE H . . 4.870 3.439 2.809 3.971 . 0 0 "[ . 1 . 2]" 1
177 1 27 THR MG 1 31 ILE MD . . 3.240 2.691 2.121 3.126 . 0 0 "[ . 1 . 2]" 1
178 1 27 THR MG 1 31 ILE HG12 . . 4.610 2.890 2.426 3.326 . 0 0 "[ . 1 . 2]" 1
179 1 27 THR MG 1 31 ILE HG13 . . 3.490 2.214 1.903 2.796 . 0 0 "[ . 1 . 2]" 1
180 1 28 ARG H 1 28 ARG QB . . 3.580 2.234 2.202 2.326 . 0 0 "[ . 1 . 2]" 1
181 1 28 ARG H 1 31 ILE HG13 . . 4.330 4.176 3.866 4.352 0.022 7 0 "[ . 1 . 2]" 1
182 1 28 ARG HA 1 28 ARG QD . . 3.550 3.575 3.504 3.695 0.145 16 0 "[ . 1 . 2]" 1
183 1 28 ARG HA 1 31 ILE HB . . 3.160 2.129 1.992 2.629 . 0 0 "[ . 1 . 2]" 1
184 1 28 ARG HA 1 31 ILE MD . . 3.530 2.484 1.976 2.934 . 0 0 "[ . 1 . 2]" 1
185 1 28 ARG HA 1 31 ILE HG13 . . 3.430 3.058 2.701 3.385 . 0 0 "[ . 1 . 2]" 1
186 1 28 ARG HA 1 72 TYR QD . . 4.060 3.089 2.547 3.348 . 0 0 "[ . 1 . 2]" 1
187 1 28 ARG HA 1 72 TYR QE . . 4.110 2.129 1.972 2.885 . 0 0 "[ . 1 . 2]" 1
188 1 28 ARG QD 1 29 ARG HG3 . . 3.780 3.309 2.386 4.318 0.538 12 1 "[ . 1 + . 2]" 1
189 1 28 ARG QG 1 72 TYR QE . . 4.630 2.923 1.919 4.138 . 0 0 "[ . 1 . 2]" 1
190 1 29 ARG H 1 29 ARG QB . . 3.110 2.272 2.034 2.499 . 0 0 "[ . 1 . 2]" 1
191 1 29 ARG H 1 29 ARG HG2 . . 3.470 3.325 2.609 3.852 0.382 2 0 "[ . 1 . 2]" 1
192 1 29 ARG H 1 30 VAL H . . 2.850 2.629 2.425 2.855 0.005 10 0 "[ . 1 . 2]" 1
193 1 29 ARG HA 1 29 ARG QB . . 2.550 2.485 2.401 2.571 0.021 2 0 "[ . 1 . 2]" 1
194 1 29 ARG HA 1 29 ARG HG2 . . 3.530 2.267 2.005 2.599 . 0 0 "[ . 1 . 2]" 1
195 1 29 ARG HA 1 29 ARG HG3 . . 3.210 3.160 2.737 3.543 0.333 5 0 "[ . 1 . 2]" 1
196 1 29 ARG HA 1 30 VAL H . . 3.600 3.574 3.520 3.644 0.044 18 0 "[ . 1 . 2]" 1
197 1 29 ARG HA 1 32 GLU H . . 4.550 3.917 3.282 4.365 . 0 0 "[ . 1 . 2]" 1
198 1 29 ARG HA 1 32 GLU HB2 . . 3.360 3.097 2.560 3.381 0.021 19 0 "[ . 1 . 2]" 1
199 1 29 ARG QB 1 29 ARG QD . . 3.300 2.089 1.945 2.340 . 0 0 "[ . 1 . 2]" 1
200 1 29 ARG QB 1 30 VAL H . . 3.520 2.750 2.324 3.005 . 0 0 "[ . 1 . 2]" 1
201 1 29 ARG QB 1 30 VAL QG . . 4.190 3.454 2.748 3.928 . 0 0 "[ . 1 . 2]" 1
202 1 30 VAL H 1 30 VAL HB . . 3.320 2.388 2.168 2.637 . 0 0 "[ . 1 . 2]" 1
203 1 30 VAL H 1 30 VAL QG . . 3.240 2.345 2.120 2.686 . 0 0 "[ . 1 . 2]" 1
204 1 30 VAL H 1 31 ILE H . . 2.990 2.293 2.115 2.626 . 0 0 "[ . 1 . 2]" 1
205 1 30 VAL H 1 32 GLU H . . 4.280 4.212 3.943 4.307 0.027 11 0 "[ . 1 . 2]" 1
206 1 30 VAL HA 1 33 LYS H . . 3.850 3.624 3.185 3.847 . 0 0 "[ . 1 . 2]" 1
207 1 30 VAL HB 1 59 PHE QE . . 4.900 4.484 4.138 4.857 . 0 0 "[ . 1 . 2]" 1
208 1 30 VAL QG 1 31 ILE HA . . 4.380 3.253 2.895 3.658 . 0 0 "[ . 1 . 2]" 1
209 1 30 VAL QG 1 33 LYS H . . 5.500 4.316 4.051 4.625 . 0 0 "[ . 1 . 2]" 1
210 1 30 VAL QG 1 58 ALA MB . . 3.610 3.406 3.239 3.510 . 0 0 "[ . 1 . 2]" 1
211 1 30 VAL QG 1 59 PHE QE . . 3.570 1.865 1.750 2.014 . 0 0 "[ . 1 . 2]" 1
212 1 31 ILE H 1 31 ILE HB . . 3.430 2.416 2.322 2.526 . 0 0 "[ . 1 . 2]" 1
213 1 31 ILE H 1 31 ILE MD . . 3.970 3.621 3.469 3.867 . 0 0 "[ . 1 . 2]" 1
214 1 31 ILE H 1 31 ILE HG12 . . 4.510 3.299 2.929 3.674 . 0 0 "[ . 1 . 2]" 1
215 1 31 ILE H 1 31 ILE HG13 . . 3.800 2.164 1.936 2.459 . 0 0 "[ . 1 . 2]" 1
216 1 31 ILE H 1 32 GLU H . . 3.740 2.666 2.328 3.061 . 0 0 "[ . 1 . 2]" 1
217 1 31 ILE HA 1 31 ILE HG12 . . 3.750 2.481 2.380 2.594 . 0 0 "[ . 1 . 2]" 1
218 1 31 ILE HA 1 31 ILE HG13 . . 3.710 3.091 2.892 3.282 . 0 0 "[ . 1 . 2]" 1
219 1 31 ILE HA 1 31 ILE MG . . 3.430 2.418 2.295 2.532 . 0 0 "[ . 1 . 2]" 1
220 1 31 ILE HA 1 33 LYS H . . 4.050 3.956 3.685 4.093 0.043 4 0 "[ . 1 . 2]" 1
221 1 31 ILE HA 1 34 LEU H . . 5.430 3.226 2.669 3.681 . 0 0 "[ . 1 . 2]" 1
222 1 31 ILE HA 1 34 LEU HB3 . . 3.920 3.502 2.126 4.546 0.626 12 2 "[ . 1 + . - 2]" 1
223 1 31 ILE HA 1 61 PHE HZ . . 4.510 3.814 3.349 4.294 . 0 0 "[ . 1 . 2]" 1
224 1 31 ILE HB 1 31 ILE MD . . 3.350 2.418 2.275 2.542 . 0 0 "[ . 1 . 2]" 1
225 1 31 ILE HB 1 32 GLU H . . 4.250 2.427 2.177 2.704 . 0 0 "[ . 1 . 2]" 1
226 1 31 ILE HB 1 72 TYR QD . . 3.860 2.670 2.367 2.925 . 0 0 "[ . 1 . 2]" 1
227 1 31 ILE MD 1 31 ILE MG . . 3.170 1.884 1.800 1.993 . 0 0 "[ . 1 . 2]" 1
228 1 31 ILE MD 1 69 GLU HA . . 4.440 2.509 1.992 2.992 . 0 0 "[ . 1 . 2]" 1
229 1 31 ILE MD 1 69 GLU QB . . 4.450 2.923 1.896 3.614 . 0 0 "[ . 1 . 2]" 1
230 1 31 ILE MD 1 69 GLU HG3 . . 4.480 2.261 1.938 4.324 . 0 0 "[ . 1 . 2]" 1
231 1 31 ILE MD 1 72 TYR H . . 5.500 4.096 3.807 4.327 . 0 0 "[ . 1 . 2]" 1
232 1 31 ILE MD 1 72 TYR QD . . 3.610 1.806 1.759 2.100 . 0 0 "[ . 1 . 2]" 1
233 1 31 ILE MD 1 72 TYR QE . . 3.970 3.123 2.673 3.940 . 0 0 "[ . 1 . 2]" 1
234 1 31 ILE MD 1 73 TYR HB2 . . 3.990 3.584 2.645 4.018 0.028 9 0 "[ . 1 . 2]" 1
235 1 31 ILE HG12 1 31 ILE MG . . 3.660 2.455 2.374 2.667 . 0 0 "[ . 1 . 2]" 1
236 1 31 ILE HG12 1 72 TYR QD . . 4.360 4.027 3.749 4.400 0.040 18 0 "[ . 1 . 2]" 1
237 1 31 ILE HG13 1 31 ILE MG . . 3.580 3.225 3.202 3.232 . 0 0 "[ . 1 . 2]" 1
238 1 31 ILE HG13 1 72 TYR QD . . 3.830 3.903 3.817 3.978 0.148 7 0 "[ . 1 . 2]" 1
239 1 31 ILE MG 1 32 GLU H . . 4.770 3.306 2.993 3.571 . 0 0 "[ . 1 . 2]" 1
240 1 31 ILE MG 1 72 TYR QD . . 3.300 1.959 1.863 2.266 . 0 0 "[ . 1 . 2]" 1
241 1 31 ILE MG 1 72 TYR QE . . 3.570 3.203 2.164 3.596 0.026 4 0 "[ . 1 . 2]" 1
242 1 31 ILE MG 1 73 TYR H . . 3.540 2.842 2.613 3.143 . 0 0 "[ . 1 . 2]" 1
243 1 31 ILE MG 1 73 TYR HA . . 3.200 1.915 1.829 2.047 . 0 0 "[ . 1 . 2]" 1
244 1 31 ILE MG 1 73 TYR HB2 . . 3.390 1.960 1.774 2.226 . 0 0 "[ . 1 . 2]" 1
245 1 31 ILE MG 1 73 TYR HB3 . . 4.030 3.143 2.911 3.538 . 0 0 "[ . 1 . 2]" 1
246 1 31 ILE MG 1 73 TYR QD . . 3.560 2.784 2.390 3.274 . 0 0 "[ . 1 . 2]" 1
247 1 32 GLU H 1 32 GLU HB2 . . 3.900 2.246 2.023 2.539 . 0 0 "[ . 1 . 2]" 1
248 1 32 GLU H 1 32 GLU HB3 . . 3.570 3.478 3.242 3.566 . 0 0 "[ . 1 . 2]" 1
249 1 32 GLU H 1 32 GLU QG . . 3.850 2.718 2.075 3.306 . 0 0 "[ . 1 . 2]" 1
250 1 32 GLU H 1 33 LYS H . . 3.810 2.888 2.560 3.004 . 0 0 "[ . 1 . 2]" 1
251 1 32 GLU HA 1 32 GLU QG . . 3.320 2.249 1.968 2.755 . 0 0 "[ . 1 . 2]" 1
252 1 32 GLU HA 1 34 LEU H . . 4.430 4.430 3.879 4.481 0.051 6 0 "[ . 1 . 2]" 1
253 1 32 GLU HA 1 35 ALA H . . 4.940 3.352 3.035 3.953 . 0 0 "[ . 1 . 2]" 1
254 1 32 GLU HA 1 35 ALA MB . . 3.580 2.468 1.967 3.154 . 0 0 "[ . 1 . 2]" 1
255 1 32 GLU HB2 1 33 LYS H . . 5.020 3.072 2.781 3.474 . 0 0 "[ . 1 . 2]" 1
256 1 32 GLU HB3 1 33 LYS H . . 4.530 3.520 2.924 3.805 . 0 0 "[ . 1 . 2]" 1
257 1 32 GLU HB3 1 33 LYS HA . . 4.530 4.145 3.906 4.388 . 0 0 "[ . 1 . 2]" 1
258 1 32 GLU QG 1 33 LYS H . . 5.500 4.483 4.162 4.714 . 0 0 "[ . 1 . 2]" 1
259 1 32 GLU QG 1 72 TYR QE . . 3.950 3.424 2.828 3.797 . 0 0 "[ . 1 . 2]" 1
260 1 32 GLU QG 1 76 LYS HB2 . . 4.640 3.874 3.092 4.732 0.092 8 0 "[ . 1 . 2]" 1
261 1 32 GLU QG 1 76 LYS HD2 . . 4.570 3.597 2.452 4.431 . 0 0 "[ . 1 . 2]" 1
262 1 33 LYS H 1 33 LYS QB . . 3.200 2.186 2.109 2.379 . 0 0 "[ . 1 . 2]" 1
263 1 33 LYS H 1 33 LYS QD . . 3.840 3.859 3.655 3.943 0.103 9 0 "[ . 1 . 2]" 1
264 1 33 LYS H 1 35 ALA H . . 5.500 4.178 3.774 4.565 . 0 0 "[ . 1 . 2]" 1
265 1 33 LYS HA 1 33 LYS QG . . 3.590 2.765 2.508 3.016 . 0 0 "[ . 1 . 2]" 1
266 1 33 LYS HA 1 36 ARG H . . 4.310 3.545 3.186 3.881 . 0 0 "[ . 1 . 2]" 1
267 1 33 LYS HA 1 36 ARG QB . . 3.460 2.531 2.092 2.988 . 0 0 "[ . 1 . 2]" 1
268 1 33 LYS QD 1 36 ARG QB . . 3.050 3.084 2.935 3.150 0.100 13 0 "[ . 1 . 2]" 1
269 1 33 LYS QD 1 37 PHE H . . 4.800 4.551 3.274 4.853 0.053 5 0 "[ . 1 . 2]" 1
270 1 33 LYS QE 1 33 LYS QG . . 2.970 2.137 2.047 2.455 . 0 0 "[ . 1 . 2]" 1
271 1 34 LEU H 1 34 LEU HB2 . . 3.760 2.221 2.004 2.533 . 0 0 "[ . 1 . 2]" 1
272 1 34 LEU H 1 34 LEU HB3 . . 3.510 2.722 2.341 3.075 . 0 0 "[ . 1 . 2]" 1
273 1 34 LEU H 1 35 ALA H . . 4.250 2.736 2.529 2.972 . 0 0 "[ . 1 . 2]" 1
274 1 34 LEU H 1 35 ALA MB . . 5.500 4.297 4.113 4.445 . 0 0 "[ . 1 . 2]" 1
275 1 34 LEU H 1 36 ARG H . . 4.720 4.195 3.721 4.551 . 0 0 "[ . 1 . 2]" 1
276 1 34 LEU HA 1 34 LEU QD . . 3.320 2.160 1.970 2.523 . 0 0 "[ . 1 . 2]" 1
277 1 34 LEU HA 1 37 PHE HB3 . . 3.990 2.546 2.163 3.018 . 0 0 "[ . 1 . 2]" 1
278 1 34 LEU HB2 1 35 ALA H . . 4.730 3.648 3.255 4.215 . 0 0 "[ . 1 . 2]" 1
279 1 34 LEU HB2 1 38 VAL MG2 . . 5.220 4.789 4.391 5.170 . 0 0 "[ . 1 . 2]" 1
280 1 34 LEU HB3 1 35 ALA H . . 4.230 2.622 2.295 3.249 . 0 0 "[ . 1 . 2]" 1
281 1 34 LEU QD 1 37 PHE H . . 5.500 4.253 3.499 5.117 . 0 0 "[ . 1 . 2]" 1
282 1 34 LEU QD 1 37 PHE HB3 . . 3.960 2.979 2.116 3.707 . 0 0 "[ . 1 . 2]" 1
283 1 34 LEU QD 1 37 PHE QD . . 4.010 2.780 1.957 3.728 . 0 0 "[ . 1 . 2]" 1
284 1 34 LEU QD 1 38 VAL MG2 . . 3.990 1.947 1.614 2.586 . 0 0 "[ . 1 . 2]" 1
285 1 34 LEU QD 1 49 ALA MB . . 3.100 2.211 1.759 2.783 . 0 0 "[ . 1 . 2]" 1
286 1 34 LEU QD 1 53 TYR QD . . 4.560 3.420 2.968 3.802 . 0 0 "[ . 1 . 2]" 1
287 1 34 LEU QD 1 53 TYR QE . . 3.510 2.648 1.875 3.198 . 0 0 "[ . 1 . 2]" 1
288 1 34 LEU QD 1 61 PHE QD . . 3.930 3.869 3.700 4.014 0.084 12 0 "[ . 1 . 2]" 1
289 1 34 LEU QD 1 61 PHE QE . . 3.680 2.004 1.826 2.255 . 0 0 "[ . 1 . 2]" 1
290 1 34 LEU QD 1 61 PHE HZ . . 3.400 1.882 1.767 1.967 . 0 0 "[ . 1 . 2]" 1
291 1 34 LEU QD 1 62 LEU HA . . 3.860 3.828 3.733 3.894 0.034 14 0 "[ . 1 . 2]" 1
292 1 34 LEU QD 1 62 LEU QD . . 2.920 1.677 1.556 1.892 . 0 0 "[ . 1 . 2]" 1
293 1 34 LEU QD 1 62 LEU HG . . 3.750 2.874 2.260 3.657 . 0 0 "[ . 1 . 2]" 1
294 1 34 LEU QD 1 73 TYR QD . . 4.560 3.083 2.741 3.564 . 0 0 "[ . 1 . 2]" 1
295 1 34 LEU QD 1 73 TYR QE . . 3.460 2.635 1.941 3.279 . 0 0 "[ . 1 . 2]" 1
296 1 34 LEU HG 1 35 ALA H . . 5.090 4.613 3.146 5.174 0.084 16 0 "[ . 1 . 2]" 1
297 1 34 LEU HG 1 38 VAL MG2 . . 4.120 3.380 2.102 4.174 0.054 17 0 "[ . 1 . 2]" 1
298 1 35 ALA H 1 35 ALA MB . . 3.460 2.141 1.942 2.244 . 0 0 "[ . 1 . 2]" 1
299 1 35 ALA H 1 36 ARG H . . 4.400 2.764 2.441 3.005 . 0 0 "[ . 1 . 2]" 1
300 1 35 ALA HA 1 38 VAL HB . . 3.860 2.522 2.087 3.043 . 0 0 "[ . 1 . 2]" 1
301 1 35 ALA HA 1 38 VAL MG2 . . 4.360 3.587 3.198 4.118 . 0 0 "[ . 1 . 2]" 1
302 1 35 ALA HA 1 39 ALA H . . 5.330 3.197 2.740 3.797 . 0 0 "[ . 1 . 2]" 1
303 1 35 ALA HA 1 39 ALA MB . . 4.130 3.853 3.484 4.154 0.024 12 0 "[ . 1 . 2]" 1
304 1 35 ALA HA 1 73 TYR QD . . 4.050 3.221 2.567 3.688 . 0 0 "[ . 1 . 2]" 1
305 1 35 ALA HA 1 73 TYR QE . . 3.590 2.211 1.990 2.673 . 0 0 "[ . 1 . 2]" 1
306 1 35 ALA HA 1 77 VAL QG . . 3.180 2.107 1.759 2.525 . 0 0 "[ . 1 . 2]" 1
307 1 35 ALA MB 1 36 ARG H . . 3.820 2.447 2.191 2.869 . 0 0 "[ . 1 . 2]" 1
308 1 35 ALA MB 1 36 ARG QB . . 4.450 3.769 3.674 3.919 . 0 0 "[ . 1 . 2]" 1
309 1 35 ALA MB 1 73 TYR QD . . 3.900 2.494 2.162 3.103 . 0 0 "[ . 1 . 2]" 1
310 1 35 ALA MB 1 73 TYR QE . . 4.070 3.326 2.602 3.886 . 0 0 "[ . 1 . 2]" 1
311 1 35 ALA MB 1 77 VAL H . . 3.990 3.074 2.461 3.521 . 0 0 "[ . 1 . 2]" 1
312 1 35 ALA MB 1 77 VAL HA . . 3.820 2.089 1.936 2.466 . 0 0 "[ . 1 . 2]" 1
313 1 35 ALA MB 1 77 VAL QG . . 3.110 1.783 1.652 1.970 . 0 0 "[ . 1 . 2]" 1
314 1 36 ARG H 1 36 ARG QB . . 3.280 2.206 2.171 2.271 . 0 0 "[ . 1 . 2]" 1
315 1 36 ARG H 1 77 VAL QG . . 5.500 4.572 4.418 4.792 . 0 0 "[ . 1 . 2]" 1
316 1 36 ARG H 1 80 ILE MG . . 5.040 3.618 3.233 4.014 . 0 0 "[ . 1 . 2]" 1
317 1 36 ARG HA 1 39 ALA H . . 5.040 4.457 3.865 4.710 . 0 0 "[ . 1 . 2]" 1
318 1 36 ARG HA 1 39 ALA MB . . 3.500 3.258 2.760 3.516 0.016 17 0 "[ . 1 . 2]" 1
319 1 36 ARG HA 1 80 ILE HB . . 4.660 3.993 3.221 4.516 . 0 0 "[ . 1 . 2]" 1
320 1 36 ARG HA 1 80 ILE MD . . 3.250 2.054 1.851 2.711 . 0 0 "[ . 1 . 2]" 1
321 1 36 ARG HA 1 80 ILE MG . . 3.540 2.783 2.196 3.114 . 0 0 "[ . 1 . 2]" 1
322 1 36 ARG QB 1 36 ARG HD3 . . 3.390 2.484 2.057 3.272 . 0 0 "[ . 1 . 2]" 1
323 1 36 ARG QB 1 37 PHE H . . 4.130 2.794 2.064 3.196 . 0 0 "[ . 1 . 2]" 1
324 1 36 ARG QB 1 80 ILE MG . . 3.860 3.914 3.725 4.034 0.174 15 0 "[ . 1 . 2]" 1
325 1 37 PHE H 1 37 PHE HB2 . . 3.270 2.413 2.077 2.704 . 0 0 "[ . 1 . 2]" 1
326 1 37 PHE H 1 37 PHE HB3 . . 3.270 2.417 2.216 2.712 . 0 0 "[ . 1 . 2]" 1
327 1 37 PHE H 1 38 VAL H . . 4.280 2.451 2.173 3.000 . 0 0 "[ . 1 . 2]" 1
328 1 37 PHE H 1 38 VAL MG2 . . 5.500 4.310 3.928 4.816 . 0 0 "[ . 1 . 2]" 1
329 1 37 PHE H 1 39 ALA H . . 5.340 4.676 4.391 5.214 . 0 0 "[ . 1 . 2]" 1
330 1 37 PHE HA 1 37 PHE QD . . 3.850 2.227 2.015 2.534 . 0 0 "[ . 1 . 2]" 1
331 1 37 PHE HB2 1 38 VAL H . . 3.870 3.828 3.636 3.984 0.114 5 0 "[ . 1 . 2]" 1
332 1 37 PHE HB3 1 38 VAL H . . 4.080 2.608 2.295 2.998 . 0 0 "[ . 1 . 2]" 1
333 1 37 PHE HB3 1 38 VAL HB . . 4.800 4.400 4.157 4.608 . 0 0 "[ . 1 . 2]" 1
334 1 37 PHE QD 1 38 VAL MG2 . . 4.080 3.240 2.492 3.808 . 0 0 "[ . 1 . 2]" 1
335 1 37 PHE QE 1 45 LEU MD2 . . 4.910 4.326 4.004 4.490 . 0 0 "[ . 1 . 2]" 1
336 1 37 PHE HZ 1 45 LEU MD1 . . 4.050 2.615 2.354 2.840 . 0 0 "[ . 1 . 2]" 1
337 1 37 PHE HZ 1 45 LEU MD2 . . 4.630 4.544 4.253 4.657 0.027 1 0 "[ . 1 . 2]" 1
338 1 38 VAL H 1 38 VAL HB . . 3.490 2.191 2.107 2.278 . 0 0 "[ . 1 . 2]" 1
339 1 38 VAL H 1 38 VAL MG2 . . 3.720 2.611 2.328 2.875 . 0 0 "[ . 1 . 2]" 1
340 1 38 VAL H 1 39 ALA H . . 4.250 2.898 2.729 3.093 . 0 0 "[ . 1 . 2]" 1
341 1 38 VAL H 1 40 GLU QB . . 4.600 4.062 3.882 4.280 . 0 0 "[ . 1 . 2]" 1
342 1 38 VAL H 1 40 GLU QG . . 5.500 5.496 5.263 5.661 0.161 14 0 "[ . 1 . 2]" 1
343 1 38 VAL H 1 45 LEU HB3 . . 5.500 4.577 4.264 4.744 . 0 0 "[ . 1 . 2]" 1
344 1 38 VAL HA 1 38 VAL MG1 . . 3.460 2.550 2.481 2.631 . 0 0 "[ . 1 . 2]" 1
345 1 38 VAL HA 1 38 VAL MG2 . . 3.400 2.210 2.061 2.320 . 0 0 "[ . 1 . 2]" 1
346 1 38 VAL HA 1 40 GLU H . . 4.240 3.938 3.875 4.236 . 0 0 "[ . 1 . 2]" 1
347 1 38 VAL HA 1 45 LEU HB2 . . 4.050 2.001 1.977 2.075 . 0 0 "[ . 1 . 2]" 1
348 1 38 VAL HA 1 45 LEU HB3 . . 3.950 2.749 2.430 2.957 . 0 0 "[ . 1 . 2]" 1
349 1 38 VAL HA 1 45 LEU MD2 . . 4.170 4.190 4.127 4.219 0.049 12 0 "[ . 1 . 2]" 1
350 1 38 VAL HA 1 45 LEU HG . . 3.810 2.996 2.832 3.133 . 0 0 "[ . 1 . 2]" 1
351 1 38 VAL HB 1 39 ALA H . . 4.210 2.237 2.137 2.373 . 0 0 "[ . 1 . 2]" 1
352 1 38 VAL HB 1 73 TYR QE . . 3.940 2.623 2.260 2.853 . 0 0 "[ . 1 . 2]" 1
353 1 38 VAL HB 1 77 VAL QG . . 3.490 3.096 2.382 3.335 . 0 0 "[ . 1 . 2]" 1
354 1 38 VAL MG1 1 39 ALA HA . . 3.450 2.935 2.803 3.092 . 0 0 "[ . 1 . 2]" 1
355 1 38 VAL MG1 1 39 ALA MB . . 3.320 3.304 3.108 3.380 0.060 12 0 "[ . 1 . 2]" 1
356 1 38 VAL MG1 1 46 GLU H . . 4.170 3.292 2.880 3.623 . 0 0 "[ . 1 . 2]" 1
357 1 38 VAL MG1 1 46 GLU HA . . 4.220 3.999 3.539 4.242 0.022 12 0 "[ . 1 . 2]" 1
358 1 38 VAL MG1 1 46 GLU HB2 . . 4.130 2.540 2.051 2.766 . 0 0 "[ . 1 . 2]" 1
359 1 38 VAL MG1 1 46 GLU HB3 . . 4.570 3.817 3.459 4.168 . 0 0 "[ . 1 . 2]" 1
360 1 38 VAL MG1 1 46 GLU QG . . 3.970 3.714 3.480 3.973 0.003 15 0 "[ . 1 . 2]" 1
361 1 38 VAL MG1 1 73 TYR QE . . 3.650 3.246 2.855 3.586 . 0 0 "[ . 1 . 2]" 1
362 1 38 VAL MG1 1 77 VAL QG . . 3.550 2.796 2.467 3.073 . 0 0 "[ . 1 . 2]" 1
363 1 38 VAL MG2 1 39 ALA H . . 5.500 3.825 3.773 3.906 . 0 0 "[ . 1 . 2]" 1
364 1 38 VAL MG2 1 45 LEU HB2 . . 5.180 2.707 2.349 3.133 . 0 0 "[ . 1 . 2]" 1
365 1 38 VAL MG2 1 45 LEU HB3 . . 4.970 2.801 2.351 3.182 . 0 0 "[ . 1 . 2]" 1
366 1 38 VAL MG2 1 46 GLU H . . 4.330 2.702 2.357 3.360 . 0 0 "[ . 1 . 2]" 1
367 1 38 VAL MG2 1 46 GLU HA . . 3.840 2.415 2.136 2.558 . 0 0 "[ . 1 . 2]" 1
368 1 38 VAL MG2 1 46 GLU HB2 . . 4.030 2.310 1.980 2.676 . 0 0 "[ . 1 . 2]" 1
369 1 38 VAL MG2 1 46 GLU HB3 . . 4.730 3.696 3.412 4.030 . 0 0 "[ . 1 . 2]" 1
370 1 38 VAL MG2 1 46 GLU QG . . 4.180 3.246 3.038 3.549 . 0 0 "[ . 1 . 2]" 1
371 1 38 VAL MG2 1 73 TYR QE . . 3.730 2.487 1.960 3.344 . 0 0 "[ . 1 . 2]" 1
372 1 39 ALA H 1 39 ALA MB . . 3.340 2.166 2.115 2.185 . 0 0 "[ . 1 . 2]" 1
373 1 39 ALA H 1 40 GLU H . . 4.260 2.891 2.816 2.938 . 0 0 "[ . 1 . 2]" 1
374 1 39 ALA H 1 77 VAL QG . . 4.950 3.075 2.665 3.795 . 0 0 "[ . 1 . 2]" 1
375 1 39 ALA H 1 80 ILE MG . . 5.500 3.808 3.437 4.147 . 0 0 "[ . 1 . 2]" 1
376 1 39 ALA HA 1 81 ARG HD2 . . 3.910 3.679 3.163 3.919 0.009 10 0 "[ . 1 . 2]" 1
377 1 39 ALA HA 1 81 ARG HD3 . . 3.670 2.776 2.135 3.389 . 0 0 "[ . 1 . 2]" 1
378 1 39 ALA HA 1 81 ARG HG2 . . 3.400 3.315 2.872 3.423 0.023 17 0 "[ . 1 . 2]" 1
379 1 39 ALA MB 1 40 GLU H . . 3.620 2.829 2.626 2.936 . 0 0 "[ . 1 . 2]" 1
380 1 39 ALA MB 1 77 VAL HA . . 3.330 3.133 2.497 3.346 0.016 11 0 "[ . 1 . 2]" 1
381 1 39 ALA MB 1 77 VAL QG . . 4.330 2.434 1.888 3.708 . 0 0 "[ . 1 . 2]" 1
382 1 39 ALA MB 1 80 ILE MD . . 2.920 1.681 1.632 1.786 . 0 0 "[ . 1 . 2]" 1
383 1 39 ALA MB 1 80 ILE MG . . 2.840 2.164 1.766 2.440 . 0 0 "[ . 1 . 2]" 1
384 1 39 ALA MB 1 81 ARG H . . 4.010 3.125 2.725 3.314 . 0 0 "[ . 1 . 2]" 1
385 1 39 ALA MB 1 81 ARG HA . . 3.460 2.081 1.945 2.307 . 0 0 "[ . 1 . 2]" 1
386 1 39 ALA MB 1 81 ARG HG2 . . 4.870 1.841 1.766 2.033 . 0 0 "[ . 1 . 2]" 1
387 1 40 GLU HA 1 40 GLU QG . . 3.710 2.560 2.046 3.290 . 0 0 "[ . 1 . 2]" 1
388 1 40 GLU QB 1 40 GLU QG . . 2.500 2.070 2.035 2.118 . 0 0 "[ . 1 . 2]" 1
389 1 41 GLY H 1 42 GLY H . . 3.910 2.620 2.370 2.823 . 0 0 "[ . 1 . 2]" 1
390 1 41 GLY H 1 45 LEU MD1 . . 4.020 3.371 3.064 3.699 . 0 0 "[ . 1 . 2]" 1
391 1 41 GLY HA2 1 45 LEU MD2 . . 4.120 3.848 3.595 4.041 . 0 0 "[ . 1 . 2]" 1
392 1 41 GLY HA2 1 45 LEU HG . . 4.350 3.921 3.753 4.050 . 0 0 "[ . 1 . 2]" 1
393 1 41 GLY HA3 1 45 LEU HB2 . . 4.220 4.227 4.183 4.252 0.032 16 0 "[ . 1 . 2]" 1
394 1 41 GLY HA3 1 45 LEU MD1 . . 3.870 3.093 2.670 3.326 . 0 0 "[ . 1 . 2]" 1
395 1 41 GLY HA3 1 45 LEU MD2 . . 3.990 2.537 2.248 2.738 . 0 0 "[ . 1 . 2]" 1
396 1 42 GLY H 1 43 PRO HD3 . . 5.100 4.775 4.745 4.798 . 0 0 "[ . 1 . 2]" 1
397 1 42 GLY HA2 1 43 PRO HD2 . . 3.340 3.604 3.554 3.665 0.325 20 0 "[ . 1 . 2]" 1
398 1 42 GLY HA2 1 43 PRO HD3 . . 3.070 2.824 2.760 2.903 . 0 0 "[ . 1 . 2]" 1
399 1 42 GLY HA3 1 43 PRO HD2 . . 3.550 2.198 2.195 2.206 . 0 0 "[ . 1 . 2]" 1
400 1 42 GLY HA3 1 43 PRO HD3 . . 3.390 2.235 2.171 2.290 . 0 0 "[ . 1 . 2]" 1
401 1 43 PRO HA 1 46 GLU H . . 4.900 3.029 2.842 3.219 . 0 0 "[ . 1 . 2]" 1
402 1 43 PRO HA 1 46 GLU HB3 . . 3.270 2.756 2.623 2.896 . 0 0 "[ . 1 . 2]" 1
403 1 43 PRO HA 1 46 GLU QG . . 4.740 4.668 4.469 4.779 0.039 4 0 "[ . 1 . 2]" 1
404 1 43 PRO HB2 1 47 LYS HG3 . . 3.570 3.637 3.470 3.968 0.398 7 0 "[ . 1 . 2]" 1
405 1 43 PRO HG2 1 44 GLU H . . 4.280 2.929 2.580 3.124 . 0 0 "[ . 1 . 2]" 1
406 1 44 GLU H 1 44 GLU QB . . 3.820 2.094 1.998 2.467 . 0 0 "[ . 1 . 2]" 1
407 1 44 GLU H 1 44 GLU HG2 . . 5.240 3.968 2.134 4.579 . 0 0 "[ . 1 . 2]" 1
408 1 44 GLU H 1 44 GLU HG3 . . 4.500 3.747 2.536 4.312 . 0 0 "[ . 1 . 2]" 1
409 1 44 GLU H 1 45 LEU H . . 4.120 2.784 2.699 2.897 . 0 0 "[ . 1 . 2]" 1
410 1 44 GLU HA 1 44 GLU QB . . 2.740 2.523 2.411 2.566 . 0 0 "[ . 1 . 2]" 1
411 1 44 GLU HA 1 44 GLU HG2 . . 3.560 2.789 2.202 3.547 . 0 0 "[ . 1 . 2]" 1
412 1 44 GLU HA 1 46 GLU H . . 5.500 4.665 3.956 5.092 . 0 0 "[ . 1 . 2]" 1
413 1 44 GLU HA 1 47 LYS H . . 3.930 3.538 3.153 3.765 . 0 0 "[ . 1 . 2]" 1
414 1 44 GLU HA 1 47 LYS QD . . 3.870 3.667 3.065 3.944 0.074 13 0 "[ . 1 . 2]" 1
415 1 44 GLU QB 1 44 GLU HG3 . . 2.740 2.381 2.198 2.569 . 0 0 "[ . 1 . 2]" 1
416 1 44 GLU QB 1 45 LEU H . . 3.860 2.914 2.821 2.984 . 0 0 "[ . 1 . 2]" 1
417 1 44 GLU QB 1 45 LEU MD2 . . 4.140 2.249 2.125 2.329 . 0 0 "[ . 1 . 2]" 1
418 1 44 GLU HG2 1 45 LEU MD2 . . 4.640 4.187 2.899 4.804 0.164 12 0 "[ . 1 . 2]" 1
419 1 45 LEU H 1 45 LEU HB2 . . 3.370 2.343 2.324 2.355 . 0 0 "[ . 1 . 2]" 1
420 1 45 LEU H 1 45 LEU HB3 . . 3.630 3.536 3.528 3.547 . 0 0 "[ . 1 . 2]" 1
421 1 45 LEU H 1 45 LEU MD2 . . 4.000 1.935 1.888 1.980 . 0 0 "[ . 1 . 2]" 1
422 1 45 LEU H 1 45 LEU HG . . 3.250 3.273 3.255 3.295 0.045 12 0 "[ . 1 . 2]" 1
423 1 45 LEU H 1 46 GLU H . . 2.730 2.574 2.413 2.735 0.005 17 0 "[ . 1 . 2]" 1
424 1 45 LEU H 1 46 GLU HB3 . . 4.620 4.650 4.631 4.671 0.051 7 0 "[ . 1 . 2]" 1
425 1 45 LEU HA 1 45 LEU MD1 . . 3.670 2.776 2.717 2.847 . 0 0 "[ . 1 . 2]" 1
426 1 45 LEU HA 1 45 LEU MD2 . . 3.410 1.975 1.956 2.001 . 0 0 "[ . 1 . 2]" 1
427 1 45 LEU HA 1 48 VAL H . . 4.500 3.190 2.919 3.489 . 0 0 "[ . 1 . 2]" 1
428 1 45 LEU HA 1 48 VAL HB . . 3.020 2.441 2.193 2.589 . 0 0 "[ . 1 . 2]" 1
429 1 45 LEU HA 1 48 VAL MG1 . . 3.890 3.819 3.643 3.907 0.017 8 0 "[ . 1 . 2]" 1
430 1 45 LEU HA 1 48 VAL MG2 . . 3.820 3.260 3.080 3.561 . 0 0 "[ . 1 . 2]" 1
431 1 45 LEU HA 1 49 ALA H . . 4.220 3.600 3.371 3.804 . 0 0 "[ . 1 . 2]" 1
432 1 45 LEU HB2 1 45 LEU MD1 . . 3.580 3.044 3.025 3.061 . 0 0 "[ . 1 . 2]" 1
433 1 45 LEU HB2 1 46 GLU H . . 3.620 2.608 2.319 3.090 . 0 0 "[ . 1 . 2]" 1
434 1 45 LEU HB2 1 46 GLU HB2 . . 4.390 4.431 4.388 4.486 0.096 4 0 "[ . 1 . 2]" 1
435 1 45 LEU HB3 1 46 GLU H . . 5.500 3.551 3.239 3.990 . 0 0 "[ . 1 . 2]" 1
436 1 45 LEU MD1 1 48 VAL HB . . 4.240 4.038 3.730 4.253 0.013 7 0 "[ . 1 . 2]" 1
437 1 45 LEU MD2 1 48 VAL HB . . 4.330 3.648 3.358 3.782 . 0 0 "[ . 1 . 2]" 1
438 1 45 LEU MD2 1 48 VAL MG2 . . 3.680 3.377 3.155 3.678 . 0 0 "[ . 1 . 2]" 1
439 1 46 GLU H 1 46 GLU HB2 . . 3.850 2.468 2.392 2.656 . 0 0 "[ . 1 . 2]" 1
440 1 46 GLU H 1 46 GLU HB3 . . 3.630 2.504 2.379 2.575 . 0 0 "[ . 1 . 2]" 1
441 1 46 GLU H 1 46 GLU QG . . 4.370 3.954 3.921 3.999 . 0 0 "[ . 1 . 2]" 1
442 1 46 GLU H 1 47 LYS H . . 3.510 2.764 2.379 2.952 . 0 0 "[ . 1 . 2]" 1
443 1 46 GLU H 1 47 LYS HG3 . . 5.500 4.600 3.915 5.465 . 0 0 "[ . 1 . 2]" 1
444 1 46 GLU H 1 48 VAL H . . 5.080 4.366 3.834 4.788 . 0 0 "[ . 1 . 2]" 1
445 1 46 GLU H 1 49 ALA H . . 4.970 4.555 4.362 4.660 . 0 0 "[ . 1 . 2]" 1
446 1 46 GLU HA 1 46 GLU QG . . 3.260 2.417 2.332 2.526 . 0 0 "[ . 1 . 2]" 1
447 1 46 GLU HA 1 49 ALA MB . . 3.490 2.394 2.154 2.622 . 0 0 "[ . 1 . 2]" 1
448 1 46 GLU HB2 1 46 GLU QG . . 2.400 2.228 2.179 2.380 . 0 0 "[ . 1 . 2]" 1
449 1 46 GLU HB3 1 47 LYS H . . 3.800 2.909 2.425 3.162 . 0 0 "[ . 1 . 2]" 1
450 1 46 GLU HB3 1 47 LYS HA . . 5.200 4.404 4.232 4.515 . 0 0 "[ . 1 . 2]" 1
451 1 46 GLU HB3 1 47 LYS QE . . 3.780 3.704 3.187 3.824 0.044 11 0 "[ . 1 . 2]" 1
452 1 46 GLU QG 1 47 LYS H . . 4.720 4.120 3.515 4.355 . 0 0 "[ . 1 . 2]" 1
453 1 46 GLU QG 1 49 ALA MB . . 4.080 3.635 3.349 3.902 . 0 0 "[ . 1 . 2]" 1
454 1 46 GLU QG 1 50 MET ME . . 3.500 2.999 1.908 3.501 0.001 17 0 "[ . 1 . 2]" 1
455 1 46 GLU QG 1 50 MET HG3 . . 4.510 4.052 3.006 4.523 0.013 20 0 "[ . 1 . 2]" 1
456 1 47 LYS H 1 47 LYS QB . . 3.280 2.546 2.341 2.705 . 0 0 "[ . 1 . 2]" 1
457 1 47 LYS H 1 47 LYS QD . . 4.830 3.758 2.151 4.179 . 0 0 "[ . 1 . 2]" 1
458 1 47 LYS H 1 47 LYS HG2 . . 4.250 2.654 1.943 3.606 . 0 0 "[ . 1 . 2]" 1
459 1 47 LYS H 1 48 VAL H . . 3.800 2.521 2.211 2.823 . 0 0 "[ . 1 . 2]" 1
460 1 47 LYS H 1 48 VAL MG2 . . 4.350 4.094 3.800 4.280 . 0 0 "[ . 1 . 2]" 1
461 1 47 LYS H 1 49 ALA H . . 4.440 3.784 3.445 4.066 . 0 0 "[ . 1 . 2]" 1
462 1 47 LYS H 1 49 ALA MB . . 5.500 4.328 4.125 4.553 . 0 0 "[ . 1 . 2]" 1
463 1 47 LYS HA 1 47 LYS QD . . 4.120 3.394 1.953 4.043 . 0 0 "[ . 1 . 2]" 1
464 1 47 LYS HA 1 47 LYS HG2 . . 3.750 2.733 2.528 3.597 . 0 0 "[ . 1 . 2]" 1
465 1 47 LYS HA 1 47 LYS HG3 . . 3.750 3.467 2.832 3.776 0.026 13 0 "[ . 1 . 2]" 1
466 1 47 LYS HA 1 50 MET H . . 3.780 3.572 3.440 3.726 . 0 0 "[ . 1 . 2]" 1
467 1 47 LYS HA 1 50 MET HB2 . . 3.090 3.017 2.762 3.103 0.013 13 0 "[ . 1 . 2]" 1
468 1 47 LYS QB 1 47 LYS QD . . 3.230 2.093 1.937 2.525 . 0 0 "[ . 1 . 2]" 1
469 1 47 LYS QB 1 47 LYS QE . . 3.520 3.356 2.871 3.551 0.031 20 0 "[ . 1 . 2]" 1
470 1 47 LYS QB 1 48 VAL H . . 3.800 2.556 2.215 3.032 . 0 0 "[ . 1 . 2]" 1
471 1 47 LYS QB 1 48 VAL MG2 . . 4.150 3.004 2.917 3.118 . 0 0 "[ . 1 . 2]" 1
472 1 47 LYS QD 1 47 LYS HG2 . . 2.750 2.378 2.180 2.562 . 0 0 "[ . 1 . 2]" 1
473 1 47 LYS QE 1 47 LYS HG2 . . 3.850 2.494 1.974 3.205 . 0 0 "[ . 1 . 2]" 1
474 1 48 VAL H 1 48 VAL HB . . 3.380 2.321 2.203 2.425 . 0 0 "[ . 1 . 2]" 1
475 1 48 VAL H 1 48 VAL MG1 . . 3.980 3.683 3.640 3.716 . 0 0 "[ . 1 . 2]" 1
476 1 48 VAL H 1 48 VAL MG2 . . 3.280 2.182 1.950 2.497 . 0 0 "[ . 1 . 2]" 1
477 1 48 VAL H 1 49 ALA H . . 3.840 2.638 2.322 2.903 . 0 0 "[ . 1 . 2]" 1
478 1 48 VAL H 1 49 ALA MB . . 4.480 4.149 3.909 4.365 . 0 0 "[ . 1 . 2]" 1
479 1 48 VAL HA 1 48 VAL MG1 . . 3.290 2.489 2.426 2.519 . 0 0 "[ . 1 . 2]" 1
480 1 48 VAL HA 1 48 VAL MG2 . . 3.080 2.363 2.272 2.421 . 0 0 "[ . 1 . 2]" 1
481 1 48 VAL HA 1 51 GLU QB . . 3.620 2.582 2.354 2.877 . 0 0 "[ . 1 . 2]" 1
482 1 48 VAL HA 1 51 GLU QG . . 4.090 3.826 3.227 4.108 0.018 20 0 "[ . 1 . 2]" 1
483 1 48 VAL HA 1 52 ASP H . . 5.500 4.075 3.705 4.486 . 0 0 "[ . 1 . 2]" 1
484 1 48 VAL HB 1 49 ALA H . . 3.600 2.768 2.566 2.989 . 0 0 "[ . 1 . 2]" 1
485 1 48 VAL HB 1 49 ALA MB . . 4.620 4.183 4.077 4.288 . 0 0 "[ . 1 . 2]" 1
486 1 48 VAL MG1 1 49 ALA H . . 4.060 3.494 3.187 3.819 . 0 0 "[ . 1 . 2]" 1
487 1 48 VAL MG2 1 49 ALA H . . 4.870 3.995 3.914 4.087 . 0 0 "[ . 1 . 2]" 1
488 1 48 VAL MG2 1 51 GLU QB . . 4.900 4.051 3.647 4.383 . 0 0 "[ . 1 . 2]" 1
489 1 49 ALA H 1 49 ALA MB . . 3.180 2.032 1.939 2.159 . 0 0 "[ . 1 . 2]" 1
490 1 49 ALA HA 1 52 ASP H . . 4.540 3.097 2.772 3.374 . 0 0 "[ . 1 . 2]" 1
491 1 49 ALA HA 1 52 ASP HB2 . . 3.950 2.630 2.261 3.407 . 0 0 "[ . 1 . 2]" 1
492 1 49 ALA HA 1 52 ASP HB3 . . 4.760 3.110 2.436 3.884 . 0 0 "[ . 1 . 2]" 1
493 1 49 ALA HA 1 53 TYR H . . 4.720 3.751 3.338 4.125 . 0 0 "[ . 1 . 2]" 1
494 1 49 ALA HA 1 53 TYR QD . . 4.310 3.872 3.301 4.226 . 0 0 "[ . 1 . 2]" 1
495 1 49 ALA MB 1 50 MET H . . 4.260 2.512 2.297 2.713 . 0 0 "[ . 1 . 2]" 1
496 1 49 ALA MB 1 50 MET HG3 . . 4.610 3.913 3.501 4.252 . 0 0 "[ . 1 . 2]" 1
497 1 49 ALA MB 1 53 TYR H . . 5.110 4.401 4.114 4.699 . 0 0 "[ . 1 . 2]" 1
498 1 49 ALA MB 1 53 TYR QD . . 4.080 2.977 2.507 3.464 . 0 0 "[ . 1 . 2]" 1
499 1 49 ALA MB 1 53 TYR QE . . 4.060 2.430 1.969 3.038 . 0 0 "[ . 1 . 2]" 1
500 1 49 ALA MB 1 62 LEU QD . . 3.670 2.201 1.849 2.739 . 0 0 "[ . 1 . 2]" 1
501 1 50 MET H 1 50 MET HB2 . . 3.730 2.142 2.019 2.365 . 0 0 "[ . 1 . 2]" 1
502 1 50 MET H 1 50 MET HB3 . . 3.600 3.426 3.331 3.519 . 0 0 "[ . 1 . 2]" 1
503 1 50 MET H 1 50 MET ME . . 4.690 4.360 3.692 4.669 . 0 0 "[ . 1 . 2]" 1
504 1 50 MET H 1 50 MET HG2 . . 4.230 3.743 2.734 4.237 0.007 20 0 "[ . 1 . 2]" 1
505 1 50 MET H 1 50 MET HG3 . . 4.120 2.926 2.629 3.199 . 0 0 "[ . 1 . 2]" 1
506 1 50 MET H 1 51 GLU H . . 4.270 2.756 2.619 2.873 . 0 0 "[ . 1 . 2]" 1
507 1 50 MET H 1 52 ASP H . . 4.900 4.365 4.039 4.645 . 0 0 "[ . 1 . 2]" 1
508 1 50 MET HA 1 50 MET ME . . 4.970 4.129 3.744 4.444 . 0 0 "[ . 1 . 2]" 1
509 1 50 MET HA 1 50 MET HG2 . . 3.920 2.569 2.160 3.079 . 0 0 "[ . 1 . 2]" 1
510 1 50 MET HA 1 50 MET HG3 . . 3.940 2.678 2.072 3.526 . 0 0 "[ . 1 . 2]" 1
511 1 50 MET HA 1 62 LEU QD . . 4.150 2.138 1.901 2.797 . 0 0 "[ . 1 . 2]" 1
512 1 50 MET ME 1 62 LEU HB3 . . 3.960 2.880 2.171 3.599 . 0 0 "[ . 1 . 2]" 1
513 1 50 MET ME 1 62 LEU QD . . 3.880 2.808 2.157 3.449 . 0 0 "[ . 1 . 2]" 1
514 1 50 MET ME 1 63 HIS HA . . 5.500 3.031 1.973 3.829 . 0 0 "[ . 1 . 2]" 1
515 1 50 MET ME 1 65 LYS QD . . 3.840 3.735 3.381 3.864 0.024 13 0 "[ . 1 . 2]" 1
516 1 50 MET ME 1 65 LYS QE . . 4.420 3.652 2.252 4.429 0.009 4 0 "[ . 1 . 2]" 1
517 1 50 MET HG2 1 62 LEU HB3 . . 4.260 3.147 2.001 4.162 . 0 0 "[ . 1 . 2]" 1
518 1 50 MET HG2 1 62 LEU QD . . 5.150 3.219 1.921 4.157 . 0 0 "[ . 1 . 2]" 1
519 1 51 GLU H 1 51 GLU QB . . 3.410 2.277 2.196 2.352 . 0 0 "[ . 1 . 2]" 1
520 1 51 GLU H 1 51 GLU QG . . 3.940 3.565 2.805 3.978 0.038 8 0 "[ . 1 . 2]" 1
521 1 51 GLU H 1 52 ASP H . . 4.410 2.249 2.106 2.439 . 0 0 "[ . 1 . 2]" 1
522 1 51 GLU H 1 53 TYR H . . 4.580 3.679 3.371 3.935 . 0 0 "[ . 1 . 2]" 1
523 1 51 GLU H 1 54 LYS H . . 4.720 4.684 4.479 4.757 0.037 3 0 "[ . 1 . 2]" 1
524 1 51 GLU HA 1 51 GLU QG . . 3.230 2.582 2.022 2.929 . 0 0 "[ . 1 . 2]" 1
525 1 51 GLU HA 1 53 TYR H . . 4.340 4.223 3.704 4.363 0.023 15 0 "[ . 1 . 2]" 1
526 1 51 GLU HA 1 54 LYS H . . 5.200 3.313 3.158 3.491 . 0 0 "[ . 1 . 2]" 1
527 1 51 GLU HA 1 54 LYS QB . . 3.810 2.154 1.981 2.663 . 0 0 "[ . 1 . 2]" 1
528 1 51 GLU HA 1 54 LYS QE . . 4.420 3.784 2.796 4.331 . 0 0 "[ . 1 . 2]" 1
529 1 51 GLU QB 1 51 GLU QG . . 2.400 2.069 2.048 2.116 . 0 0 "[ . 1 . 2]" 1
530 1 51 GLU QB 1 52 ASP H . . 3.850 2.636 2.358 3.021 . 0 0 "[ . 1 . 2]" 1
531 1 51 GLU QG 1 54 LYS QB . . 3.820 3.668 3.448 3.828 0.008 2 0 "[ . 1 . 2]" 1
532 1 52 ASP H 1 52 ASP HB2 . . 3.880 2.136 2.007 2.361 . 0 0 "[ . 1 . 2]" 1
533 1 52 ASP H 1 52 ASP HB3 . . 4.040 2.999 2.555 3.529 . 0 0 "[ . 1 . 2]" 1
534 1 52 ASP H 1 53 TYR H . . 4.110 2.701 2.428 2.959 . 0 0 "[ . 1 . 2]" 1
535 1 52 ASP HB2 1 53 TYR H . . 3.970 3.389 2.512 3.817 . 0 0 "[ . 1 . 2]" 1
536 1 52 ASP HB3 1 53 TYR H . . 4.610 2.810 2.478 3.375 . 0 0 "[ . 1 . 2]" 1
537 1 53 TYR H 1 53 TYR HB3 . . 3.950 3.601 3.521 3.706 . 0 0 "[ . 1 . 2]" 1
538 1 53 TYR H 1 53 TYR QD . . 4.950 3.066 2.826 3.235 . 0 0 "[ . 1 . 2]" 1
539 1 53 TYR H 1 54 LYS H . . 3.900 2.672 2.457 2.794 . 0 0 "[ . 1 . 2]" 1
540 1 53 TYR HA 1 53 TYR QD . . 3.930 2.390 2.108 2.688 . 0 0 "[ . 1 . 2]" 1
541 1 53 TYR HB2 1 62 LEU QD . . 4.330 2.381 1.892 2.946 . 0 0 "[ . 1 . 2]" 1
542 1 53 TYR QD 1 62 LEU QD . . 5.060 1.795 1.731 1.861 . 0 0 "[ . 1 . 2]" 1
543 1 53 TYR QD 1 62 LEU HG . . 5.500 4.059 3.573 4.496 . 0 0 "[ . 1 . 2]" 1
544 1 53 TYR QE 1 62 LEU QD . . 4.710 3.015 2.349 3.346 . 0 0 "[ . 1 . 2]" 1
545 1 54 LYS H 1 54 LYS QB . . 3.560 2.175 1.999 2.292 . 0 0 "[ . 1 . 2]" 1
546 1 54 LYS H 1 55 ASP H . . 4.420 2.866 2.580 3.042 . 0 0 "[ . 1 . 2]" 1
547 1 54 LYS HA 1 56 ASN H . . 5.000 4.673 4.328 4.978 . 0 0 "[ . 1 . 2]" 1
548 1 54 LYS QB 1 54 LYS QE . . 3.620 3.007 2.339 3.621 0.001 2 0 "[ . 1 . 2]" 1
549 1 54 LYS QB 1 55 ASP H . . 5.500 2.812 2.354 3.689 . 0 0 "[ . 1 . 2]" 1
550 1 55 ASP H 1 56 ASN H . . 3.710 3.516 1.930 3.763 0.053 2 0 "[ . 1 . 2]" 1
551 1 55 ASP HB3 1 56 ASN H . . 5.040 4.243 3.506 4.660 . 0 0 "[ . 1 . 2]" 1
552 1 56 ASN H 1 56 ASN HB2 . . 3.810 2.799 2.230 3.516 . 0 0 "[ . 1 . 2]" 1
553 1 56 ASN H 1 56 ASN HB3 . . 3.610 3.229 2.943 3.616 0.006 6 0 "[ . 1 . 2]" 1
554 1 56 ASN H 1 56 ASN HD21 . . 4.440 3.980 2.231 4.559 0.119 10 0 "[ . 1 . 2]" 1
555 1 56 ASN HA 1 57 PRO HD2 . . 3.240 2.338 2.327 2.362 . 0 0 "[ . 1 . 2]" 1
556 1 56 ASN HA 1 57 PRO HD3 . . 3.040 2.009 1.995 2.016 . 0 0 "[ . 1 . 2]" 1
557 1 56 ASN HA 1 57 PRO QG . . 4.200 3.866 3.866 3.867 . 0 0 "[ . 1 . 2]" 1
558 1 56 ASN HA 1 58 ALA H . . 5.500 3.679 3.464 4.489 . 0 0 "[ . 1 . 2]" 1
559 1 57 PRO HA 1 60 THR MG . . 3.210 2.267 1.880 3.224 0.014 7 0 "[ . 1 . 2]" 1
560 1 57 PRO HD2 1 58 ALA H . . 4.140 2.496 2.255 2.709 . 0 0 "[ . 1 . 2]" 1
561 1 57 PRO HD3 1 58 ALA H . . 4.700 3.753 3.659 3.872 . 0 0 "[ . 1 . 2]" 1
562 1 57 PRO QG 1 58 ALA H . . 3.700 3.240 2.286 3.699 . 0 0 "[ . 1 . 2]" 1
563 1 57 PRO QG 1 58 ALA MB . . 3.960 3.791 3.265 4.001 0.041 10 0 "[ . 1 . 2]" 1
564 1 57 PRO QG 1 60 THR MG . . 4.970 4.617 4.389 4.989 0.019 13 0 "[ . 1 . 2]" 1
565 1 58 ALA H 1 58 ALA MB . . 3.300 2.106 1.973 2.246 . 0 0 "[ . 1 . 2]" 1
566 1 58 ALA H 1 59 PHE H . . 3.570 2.227 2.089 2.767 . 0 0 "[ . 1 . 2]" 1
567 1 58 ALA H 1 60 THR H . . 5.120 3.945 3.571 4.364 . 0 0 "[ . 1 . 2]" 1
568 1 58 ALA MB 1 59 PHE H . . 4.280 2.781 2.519 3.161 . 0 0 "[ . 1 . 2]" 1
569 1 58 ALA MB 1 61 PHE QD . . 4.810 4.824 4.587 4.956 0.146 10 0 "[ . 1 . 2]" 1
570 1 58 ALA MB 1 61 PHE QE . . 4.930 4.645 4.548 4.828 . 0 0 "[ . 1 . 2]" 1
571 1 59 PHE H 1 59 PHE HB2 . . 4.070 1.986 1.946 2.100 . 0 0 "[ . 1 . 2]" 1
572 1 59 PHE H 1 60 THR H . . 3.660 2.957 2.640 3.182 . 0 0 "[ . 1 . 2]" 1
573 1 59 PHE H 1 60 THR HA . . 5.500 4.714 4.502 4.825 . 0 0 "[ . 1 . 2]" 1
574 1 59 PHE H 1 61 PHE QD . . 4.440 4.552 4.457 4.651 0.211 20 0 "[ . 1 . 2]" 1
575 1 59 PHE H 1 61 PHE QE . . 4.530 4.507 4.399 4.604 0.074 7 0 "[ . 1 . 2]" 1
576 1 59 PHE HA 1 59 PHE QD . . 4.490 2.905 2.710 3.044 . 0 0 "[ . 1 . 2]" 1
577 1 59 PHE HA 1 59 PHE QE . . 4.410 4.486 4.420 4.535 0.125 6 0 "[ . 1 . 2]" 1
578 1 59 PHE HA 1 61 PHE QD . . 3.950 1.970 1.944 1.997 . 0 0 "[ . 1 . 2]" 1
579 1 59 PHE HB2 1 61 PHE QE . . 3.930 3.984 3.924 4.071 0.141 8 0 "[ . 1 . 2]" 1
580 1 59 PHE HB2 1 62 LEU QD . . 4.280 4.026 3.407 4.341 0.061 17 0 "[ . 1 . 2]" 1
581 1 59 PHE HB3 1 60 THR H . . 5.150 4.235 4.132 4.326 . 0 0 "[ . 1 . 2]" 1
582 1 59 PHE HB3 1 61 PHE QD . . 4.500 4.422 4.219 4.539 0.039 12 0 "[ . 1 . 2]" 1
583 1 59 PHE HB3 1 61 PHE QE . . 3.920 3.696 3.509 3.825 . 0 0 "[ . 1 . 2]" 1
584 1 59 PHE HB3 1 62 LEU QD . . 3.820 2.692 2.210 3.044 . 0 0 "[ . 1 . 2]" 1
585 1 59 PHE QD 1 61 PHE H . . 5.200 5.006 4.762 5.115 . 0 0 "[ . 1 . 2]" 1
586 1 59 PHE QD 1 62 LEU QD . . 4.470 1.870 1.746 2.174 . 0 0 "[ . 1 . 2]" 1
587 1 59 PHE QD 1 62 LEU HG . . 4.170 3.137 1.994 4.215 0.045 20 0 "[ . 1 . 2]" 1
588 1 59 PHE QE 1 62 LEU QD . . 3.640 2.632 2.166 3.144 . 0 0 "[ . 1 . 2]" 1
589 1 60 THR H 1 60 THR HB . . 3.910 3.311 2.478 3.524 . 0 0 "[ . 1 . 2]" 1
590 1 60 THR H 1 60 THR MG . . 4.050 1.935 1.877 2.121 . 0 0 "[ . 1 . 2]" 1
591 1 60 THR HA 1 60 THR MG . . 3.610 2.679 2.505 3.242 . 0 0 "[ . 1 . 2]" 1
592 1 60 THR HA 1 62 LEU H . . 4.160 3.722 3.250 4.164 0.004 6 0 "[ . 1 . 2]" 1
593 1 60 THR HA 1 63 HIS HD2 . . 3.610 2.588 2.002 3.542 . 0 0 "[ . 1 . 2]" 1
594 1 60 THR HB 1 63 HIS HD2 . . 4.950 4.115 3.099 4.955 0.005 20 0 "[ . 1 . 2]" 1
595 1 60 THR MG 1 61 PHE H . . 5.500 3.729 2.546 4.063 . 0 0 "[ . 1 . 2]" 1
596 1 60 THR MG 1 61 PHE QD . . 4.880 4.620 3.742 4.884 0.004 6 0 "[ . 1 . 2]" 1
597 1 61 PHE H 1 61 PHE HB2 . . 3.990 3.463 3.451 3.477 . 0 0 "[ . 1 . 2]" 1
598 1 61 PHE H 1 61 PHE HB3 . . 4.070 2.327 2.264 2.376 . 0 0 "[ . 1 . 2]" 1
599 1 61 PHE H 1 62 LEU H . . 4.160 2.593 2.477 2.723 . 0 0 "[ . 1 . 2]" 1
600 1 61 PHE HA 1 64 ASP HB2 . . 4.900 2.716 2.055 3.426 . 0 0 "[ . 1 . 2]" 1
601 1 61 PHE HA 1 64 ASP HB3 . . 3.690 3.406 2.167 3.697 0.007 14 0 "[ . 1 . 2]" 1
602 1 61 PHE HB2 1 69 GLU QB . . 3.820 2.245 1.783 3.059 . 0 0 "[ . 1 . 2]" 1
603 1 61 PHE HB2 1 70 PHE HB2 . . 3.810 3.110 2.184 3.670 . 0 0 "[ . 1 . 2]" 1
604 1 61 PHE HB3 1 69 GLU QB . . 4.910 2.346 1.967 2.958 . 0 0 "[ . 1 . 2]" 1
605 1 61 PHE HB3 1 70 PHE H . . 4.540 4.234 3.491 4.552 0.012 8 0 "[ . 1 . 2]" 1
606 1 61 PHE HZ 1 62 LEU QD . . 4.710 2.962 2.440 3.671 . 0 0 "[ . 1 . 2]" 1
607 1 62 LEU H 1 62 LEU HB2 . . 3.820 2.106 1.979 2.363 . 0 0 "[ . 1 . 2]" 1
608 1 62 LEU H 1 62 LEU HB3 . . 3.980 3.355 3.043 3.531 . 0 0 "[ . 1 . 2]" 1
609 1 62 LEU H 1 62 LEU QD . . 3.920 3.018 2.417 3.402 . 0 0 "[ . 1 . 2]" 1
610 1 62 LEU H 1 63 HIS H . . 3.860 3.102 2.637 3.281 . 0 0 "[ . 1 . 2]" 1
611 1 62 LEU H 1 63 HIS HD2 . . 5.500 4.445 3.951 4.819 . 0 0 "[ . 1 . 2]" 1
612 1 62 LEU HA 1 62 LEU QD . . 3.280 2.009 1.871 2.285 . 0 0 "[ . 1 . 2]" 1
613 1 62 LEU HA 1 70 PHE QD . . 3.450 2.817 2.275 3.359 . 0 0 "[ . 1 . 2]" 1
614 1 62 LEU HA 1 70 PHE QE . . 4.610 4.204 3.422 4.637 0.027 13 0 "[ . 1 . 2]" 1
615 1 62 LEU HB2 1 63 HIS H . . 4.380 2.756 2.410 3.181 . 0 0 "[ . 1 . 2]" 1
616 1 62 LEU HB2 1 63 HIS HD2 . . 4.110 4.120 3.939 4.184 0.074 2 0 "[ . 1 . 2]" 1
617 1 62 LEU QD 1 70 PHE QD . . 3.730 3.327 2.671 3.628 . 0 0 "[ . 1 . 2]" 1
618 1 62 LEU QD 1 70 PHE QE . . 4.110 3.957 3.348 4.099 . 0 0 "[ . 1 . 2]" 1
619 1 62 LEU QD 1 73 TYR QD . . 4.710 4.248 3.712 4.562 . 0 0 "[ . 1 . 2]" 1
620 1 62 LEU QD 1 73 TYR QE . . 4.330 4.105 3.586 4.289 . 0 0 "[ . 1 . 2]" 1
621 1 63 HIS H 1 63 HIS HB2 . . 4.080 2.988 2.836 3.587 . 0 0 "[ . 1 . 2]" 1
622 1 63 HIS H 1 63 HIS HB3 . . 3.700 3.403 2.857 3.516 . 0 0 "[ . 1 . 2]" 1
623 1 63 HIS H 1 63 HIS HD2 . . 4.350 2.646 2.244 3.208 . 0 0 "[ . 1 . 2]" 1
624 1 63 HIS H 1 63 HIS HE1 . . 4.560 4.619 4.579 4.714 0.154 2 0 "[ . 1 . 2]" 1
625 1 63 HIS H 1 64 ASP HB2 . . 4.850 4.571 3.921 4.861 0.011 16 0 "[ . 1 . 2]" 1
626 1 63 HIS HA 1 63 HIS HD2 . . 4.840 4.606 4.439 4.728 . 0 0 "[ . 1 . 2]" 1
627 1 64 ASP H 1 64 ASP HB2 . . 4.150 2.408 2.010 3.266 . 0 0 "[ . 1 . 2]" 1
628 1 64 ASP H 1 64 ASP HB3 . . 4.140 3.401 2.950 3.555 . 0 0 "[ . 1 . 2]" 1
629 1 64 ASP HA 1 65 LYS H . . 3.170 2.314 2.253 2.469 . 0 0 "[ . 1 . 2]" 1
630 1 64 ASP HA 1 65 LYS QB . . 4.410 4.373 4.150 4.482 0.072 13 0 "[ . 1 . 2]" 1
631 1 64 ASP HB2 1 67 SER HB2 . . 4.090 3.438 2.452 4.595 0.505 8 1 "[ . + 1 . 2]" 1
632 1 64 ASP HB2 1 67 SER HB3 . . 4.930 4.104 2.639 4.843 . 0 0 "[ . 1 . 2]" 1
633 1 64 ASP HB3 1 67 SER HB2 . . 4.440 2.405 1.986 3.747 . 0 0 "[ . 1 . 2]" 1
634 1 65 LYS H 1 65 LYS QB . . 3.630 2.374 2.043 2.751 . 0 0 "[ . 1 . 2]" 1
635 1 65 LYS H 1 65 LYS QE . . 4.980 4.692 4.242 5.000 0.020 6 0 "[ . 1 . 2]" 1
636 1 65 LYS H 1 65 LYS HG2 . . 4.260 3.573 2.128 4.324 0.064 20 0 "[ . 1 . 2]" 1
637 1 65 LYS H 1 65 LYS HG3 . . 4.330 3.295 2.112 4.281 . 0 0 "[ . 1 . 2]" 1
638 1 65 LYS H 1 66 ASN H . . 4.050 2.877 2.557 3.295 . 0 0 "[ . 1 . 2]" 1
639 1 65 LYS H 1 67 SER H . . 5.130 4.999 4.400 5.146 0.016 13 0 "[ . 1 . 2]" 1
640 1 65 LYS HA 1 65 LYS HG3 . . 4.150 2.897 2.042 3.752 . 0 0 "[ . 1 . 2]" 1
641 1 65 LYS HA 1 70 PHE QD . . 3.980 2.806 2.277 3.269 . 0 0 "[ . 1 . 2]" 1
642 1 65 LYS QB 1 66 ASN H . . 4.920 3.106 1.941 4.011 . 0 0 "[ . 1 . 2]" 1
643 1 65 LYS QB 1 70 PHE QD . . 4.750 3.729 3.116 4.510 . 0 0 "[ . 1 . 2]" 1
644 1 65 LYS QB 1 70 PHE QE . . 4.050 3.119 2.379 3.713 . 0 0 "[ . 1 . 2]" 1
645 1 65 LYS QD 1 70 PHE QE . . 4.220 3.233 1.998 4.210 . 0 0 "[ . 1 . 2]" 1
646 1 65 LYS QE 1 65 LYS HG3 . . 3.910 2.594 1.966 3.331 . 0 0 "[ . 1 . 2]" 1
647 1 65 LYS QE 1 70 PHE QE . . 4.190 3.667 2.289 4.207 0.017 14 0 "[ . 1 . 2]" 1
648 1 65 LYS HG2 1 70 PHE QE . . 4.440 3.350 2.112 4.424 . 0 0 "[ . 1 . 2]" 1
649 1 66 ASN H 1 66 ASN HB2 . . 4.030 3.043 2.143 4.075 0.045 20 0 "[ . 1 . 2]" 1
650 1 66 ASN H 1 66 ASN HB3 . . 3.600 3.412 2.703 3.873 0.273 8 0 "[ . 1 . 2]" 1
651 1 66 ASN H 1 66 ASN HD21 . . 4.280 3.723 2.184 4.294 0.014 14 0 "[ . 1 . 2]" 1
652 1 66 ASN H 1 67 SER HB2 . . 5.500 4.446 3.195 6.259 0.759 2 1 "[ + . 1 . 2]" 1
653 1 66 ASN HB2 1 67 SER H . . 4.840 4.472 4.163 4.675 . 0 0 "[ . 1 . 2]" 1
654 1 66 ASN HB3 1 67 SER H . . 5.280 4.450 4.234 4.731 . 0 0 "[ . 1 . 2]" 1
655 1 67 SER H 1 67 SER HB2 . . 3.490 3.019 2.436 3.736 0.246 8 0 "[ . 1 . 2]" 1
656 1 67 SER H 1 70 PHE H . . 4.030 3.841 3.402 4.039 0.009 17 0 "[ . 1 . 2]" 1
657 1 67 SER H 1 70 PHE HB3 . . 4.590 2.923 2.224 3.268 . 0 0 "[ . 1 . 2]" 1
658 1 67 SER HA 1 67 SER HB2 . . 2.610 2.504 2.325 2.766 0.156 13 0 "[ . 1 . 2]" 1
659 1 67 SER HA 1 68 ARG H . . 3.640 3.371 2.244 3.645 0.005 8 0 "[ . 1 . 2]" 1
660 1 67 SER HB2 1 69 GLU H . . 4.830 4.162 2.773 4.494 . 0 0 "[ . 1 . 2]" 1
661 1 67 SER HB3 1 68 ARG H . . 4.870 2.613 1.913 4.128 . 0 0 "[ . 1 . 2]" 1
662 1 67 SER HB3 1 69 GLU H . . 5.280 3.064 2.481 4.528 . 0 0 "[ . 1 . 2]" 1
663 1 67 SER HB3 1 70 PHE H . . 5.160 3.159 2.122 5.057 . 0 0 "[ . 1 . 2]" 1
664 1 68 ARG H 1 68 ARG QD . . 5.350 3.413 1.905 4.803 . 0 0 "[ . 1 . 2]" 1
665 1 68 ARG H 1 69 GLU H . . 4.630 2.041 1.795 2.873 . 0 0 "[ . 1 . 2]" 1
666 1 68 ARG HA 1 68 ARG QG . . 3.350 3.374 3.247 3.434 0.084 1 0 "[ . 1 . 2]" 1
667 1 68 ARG HA 1 71 LEU H . . 3.990 3.756 3.328 4.045 0.055 11 0 "[ . 1 . 2]" 1
668 1 68 ARG HA 1 71 LEU QD . . 3.460 2.221 1.862 2.851 . 0 0 "[ . 1 . 2]" 1
669 1 68 ARG QB 1 68 ARG QD . . 2.740 2.127 1.971 2.453 . 0 0 "[ . 1 . 2]" 1
670 1 68 ARG QB 1 68 ARG QG . . 2.400 2.074 2.061 2.125 . 0 0 "[ . 1 . 2]" 1
671 1 68 ARG QB 1 69 GLU H . . 4.090 3.590 3.477 3.776 . 0 0 "[ . 1 . 2]" 1
672 1 68 ARG QD 1 69 GLU QB . . 4.100 3.996 3.286 4.091 . 0 0 "[ . 1 . 2]" 1
673 1 68 ARG QG 1 69 GLU HA . . 3.990 3.488 3.016 4.008 0.018 17 0 "[ . 1 . 2]" 1
674 1 68 ARG QG 1 69 GLU QB . . 3.080 2.931 2.646 3.203 0.123 20 0 "[ . 1 . 2]" 1
675 1 68 ARG QG 1 69 GLU HG3 . . 3.830 3.569 3.062 3.843 0.013 1 0 "[ . 1 . 2]" 1
676 1 69 GLU H 1 70 PHE H . . 3.980 2.316 2.164 2.689 . 0 0 "[ . 1 . 2]" 1
677 1 69 GLU HA 1 69 GLU HG2 . . 3.620 2.998 2.478 3.509 . 0 0 "[ . 1 . 2]" 1
678 1 69 GLU HA 1 72 TYR H . . 4.490 3.497 3.220 3.886 . 0 0 "[ . 1 . 2]" 1
679 1 69 GLU HA 1 72 TYR HB2 . . 3.950 3.700 3.147 4.234 0.284 10 0 "[ . 1 . 2]" 1
680 1 69 GLU HA 1 72 TYR HB3 . . 4.180 2.949 2.523 3.349 . 0 0 "[ . 1 . 2]" 1
681 1 69 GLU HA 1 73 TYR H . . 4.090 4.147 4.070 4.190 0.100 20 0 "[ . 1 . 2]" 1
682 1 69 GLU QB 1 70 PHE H . . 4.710 2.867 2.319 3.704 . 0 0 "[ . 1 . 2]" 1
683 1 70 PHE H 1 70 PHE HB2 . . 3.780 2.428 2.256 2.682 . 0 0 "[ . 1 . 2]" 1
684 1 70 PHE H 1 70 PHE HB3 . . 3.750 2.311 2.198 2.457 . 0 0 "[ . 1 . 2]" 1
685 1 70 PHE H 1 70 PHE QD . . 5.170 4.068 4.023 4.107 . 0 0 "[ . 1 . 2]" 1
686 1 70 PHE H 1 71 LEU H . . 3.460 2.602 2.207 2.895 . 0 0 "[ . 1 . 2]" 1
687 1 70 PHE H 1 71 LEU HA . . 5.500 5.137 4.809 5.396 . 0 0 "[ . 1 . 2]" 1
688 1 70 PHE H 1 71 LEU QD . . 4.880 3.696 2.587 4.570 . 0 0 "[ . 1 . 2]" 1
689 1 70 PHE HA 1 70 PHE QD . . 4.080 2.915 2.512 3.151 . 0 0 "[ . 1 . 2]" 1
690 1 70 PHE HA 1 73 TYR H . . 4.000 3.520 3.327 3.734 . 0 0 "[ . 1 . 2]" 1
691 1 70 PHE HA 1 73 TYR HB2 . . 3.800 3.435 3.030 3.763 . 0 0 "[ . 1 . 2]" 1
692 1 70 PHE HA 1 73 TYR HB3 . . 3.350 2.425 2.237 2.694 . 0 0 "[ . 1 . 2]" 1
693 1 70 PHE HA 1 73 TYR QD . . 4.080 3.010 2.424 3.454 . 0 0 "[ . 1 . 2]" 1
694 1 70 PHE HB2 1 71 LEU H . . 4.670 4.040 3.777 4.208 . 0 0 "[ . 1 . 2]" 1
695 1 70 PHE HB3 1 71 LEU H . . 4.000 2.846 2.436 3.122 . 0 0 "[ . 1 . 2]" 1
696 1 70 PHE HB3 1 71 LEU QD . . 4.710 2.968 1.889 4.004 . 0 0 "[ . 1 . 2]" 1
697 1 70 PHE QD 1 71 LEU H . . 5.030 3.699 3.298 4.359 . 0 0 "[ . 1 . 2]" 1
698 1 70 PHE QD 1 71 LEU HA . . 5.040 3.374 3.035 4.204 . 0 0 "[ . 1 . 2]" 1
699 1 70 PHE QD 1 71 LEU QD . . 3.800 2.474 1.803 3.356 . 0 0 "[ . 1 . 2]" 1
700 1 70 PHE QD 1 71 LEU HG . . 4.420 3.777 3.159 4.484 0.064 15 0 "[ . 1 . 2]" 1
701 1 70 PHE QD 1 73 TYR QD . . 4.510 3.567 3.075 3.921 . 0 0 "[ . 1 . 2]" 1
702 1 70 PHE QD 1 73 TYR QE . . 5.500 4.409 3.714 4.845 . 0 0 "[ . 1 . 2]" 1
703 1 70 PHE QE 1 73 TYR QD . . 4.480 4.054 3.635 4.462 . 0 0 "[ . 1 . 2]" 1
704 1 70 PHE QE 1 73 TYR QE . . 3.970 3.653 3.003 3.988 0.018 7 0 "[ . 1 . 2]" 1
705 1 71 LEU H 1 71 LEU HB2 . . 3.480 2.431 2.257 2.668 . 0 0 "[ . 1 . 2]" 1
706 1 71 LEU H 1 71 LEU HB3 . . 3.850 3.543 3.515 3.590 . 0 0 "[ . 1 . 2]" 1
707 1 71 LEU H 1 71 LEU QD . . 4.010 2.462 1.681 3.287 . 0 0 "[ . 1 . 2]" 1
708 1 71 LEU H 1 71 LEU HG . . 3.480 3.106 2.386 3.730 0.250 9 0 "[ . 1 . 2]" 1
709 1 71 LEU H 1 72 TYR H . . 2.840 2.624 2.428 2.844 0.004 13 0 "[ . 1 . 2]" 1
710 1 71 LEU HA 1 71 LEU QD . . 3.150 2.251 1.906 2.732 . 0 0 "[ . 1 . 2]" 1
711 1 71 LEU HA 1 73 TYR H . . 4.730 4.233 3.869 4.665 . 0 0 "[ . 1 . 2]" 1
712 1 71 LEU HB2 1 72 TYR H . . 4.140 2.459 2.195 2.747 . 0 0 "[ . 1 . 2]" 1
713 1 71 LEU HB3 1 71 LEU QD . . 3.200 2.214 1.990 2.566 . 0 0 "[ . 1 . 2]" 1
714 1 71 LEU HB3 1 72 TYR H . . 4.660 3.507 3.190 3.920 . 0 0 "[ . 1 . 2]" 1
715 1 72 TYR H 1 72 TYR HB2 . . 3.600 2.274 2.101 2.525 . 0 0 "[ . 1 . 2]" 1
716 1 72 TYR H 1 72 TYR HB3 . . 3.650 2.381 2.135 2.566 . 0 0 "[ . 1 . 2]" 1
717 1 72 TYR H 1 72 TYR QD . . 4.860 4.039 3.965 4.071 . 0 0 "[ . 1 . 2]" 1
718 1 72 TYR H 1 73 TYR H . . 2.670 2.743 2.655 2.823 0.153 5 0 "[ . 1 . 2]" 1
719 1 72 TYR HA 1 72 TYR QD . . 3.330 2.684 2.292 2.945 . 0 0 "[ . 1 . 2]" 1
720 1 72 TYR HA 1 75 ARG H . . 3.710 3.198 2.708 3.600 . 0 0 "[ . 1 . 2]" 1
721 1 72 TYR HA 1 75 ARG QB . . 3.170 2.376 1.934 3.146 . 0 0 "[ . 1 . 2]" 1
722 1 72 TYR HB2 1 73 TYR H . . 4.630 3.883 3.693 4.067 . 0 0 "[ . 1 . 2]" 1
723 1 72 TYR HB3 1 73 TYR H . . 3.790 2.640 2.321 2.915 . 0 0 "[ . 1 . 2]" 1
724 1 72 TYR QD 1 73 TYR H . . 4.780 3.775 3.087 4.163 . 0 0 "[ . 1 . 2]" 1
725 1 72 TYR QD 1 73 TYR HA . . 4.450 3.661 3.280 4.229 . 0 0 "[ . 1 . 2]" 1
726 1 73 TYR H 1 73 TYR HB2 . . 3.510 2.743 2.536 2.957 . 0 0 "[ . 1 . 2]" 1
727 1 73 TYR H 1 73 TYR HB3 . . 3.460 1.991 1.919 2.160 . 0 0 "[ . 1 . 2]" 1
728 1 73 TYR H 1 73 TYR QD . . 5.480 3.871 3.661 4.054 . 0 0 "[ . 1 . 2]" 1
729 1 73 TYR HA 1 73 TYR QD . . 4.000 2.825 2.421 3.156 . 0 0 "[ . 1 . 2]" 1
730 1 73 TYR HA 1 73 TYR QE . . 5.500 5.008 4.816 5.118 . 0 0 "[ . 1 . 2]" 1
731 1 73 TYR HA 1 76 LYS H . . 4.480 3.865 3.328 4.466 . 0 0 "[ . 1 . 2]" 1
732 1 73 TYR HB3 1 74 ARG H . . 4.290 2.697 2.299 3.262 . 0 0 "[ . 1 . 2]" 1
733 1 73 TYR QD 1 74 ARG H . . 4.030 3.049 1.940 3.939 . 0 0 "[ . 1 . 2]" 1
734 1 73 TYR QD 1 74 ARG QG . . 3.710 2.894 2.332 3.474 . 0 0 "[ . 1 . 2]" 1
735 1 73 TYR QE 1 74 ARG H . . 5.500 4.823 4.001 5.455 . 0 0 "[ . 1 . 2]" 1
736 1 73 TYR QE 1 74 ARG QG . . 4.200 2.930 2.100 3.779 . 0 0 "[ . 1 . 2]" 1
737 1 74 ARG H 1 74 ARG QB . . 3.530 2.119 2.008 2.318 . 0 0 "[ . 1 . 2]" 1
738 1 74 ARG H 1 74 ARG QG . . 4.170 3.081 2.587 3.511 . 0 0 "[ . 1 . 2]" 1
739 1 74 ARG H 1 75 ARG H . . 2.780 2.486 2.178 2.811 0.031 3 0 "[ . 1 . 2]" 1
740 1 74 ARG HA 1 74 ARG HD2 . . 4.060 3.474 2.220 4.546 0.486 7 0 "[ . 1 . 2]" 1
741 1 74 ARG HA 1 74 ARG QG . . 3.870 2.153 1.962 2.468 . 0 0 "[ . 1 . 2]" 1
742 1 74 ARG HA 1 77 VAL H . . 5.200 3.368 2.923 3.859 . 0 0 "[ . 1 . 2]" 1
743 1 74 ARG HA 1 77 VAL HB . . 4.050 2.438 1.962 4.278 0.228 20 0 "[ . 1 . 2]" 1
744 1 74 ARG HA 1 77 VAL QG . . 4.280 2.227 1.750 2.694 . 0 0 "[ . 1 . 2]" 1
745 1 74 ARG QB 1 75 ARG H . . 4.110 2.981 2.745 3.251 . 0 0 "[ . 1 . 2]" 1
746 1 75 ARG H 1 75 ARG QB . . 3.290 2.356 2.001 2.703 . 0 0 "[ . 1 . 2]" 1
747 1 75 ARG H 1 75 ARG HG2 . . 4.270 2.657 1.939 4.466 0.196 11 0 "[ . 1 . 2]" 1
748 1 75 ARG H 1 75 ARG HG3 . . 3.880 3.305 2.120 4.312 0.432 4 0 "[ . 1 . 2]" 1
749 1 75 ARG H 1 76 LYS H . . 3.220 2.748 2.273 3.145 . 0 0 "[ . 1 . 2]" 1
750 1 75 ARG HA 1 75 ARG HD2 . . 4.030 3.349 1.984 4.661 0.631 7 1 "[ . + 1 . 2]" 1
751 1 75 ARG HA 1 75 ARG HG2 . . 2.970 2.800 2.273 3.562 0.592 4 2 "[ +. 1 . -2]" 1
752 1 75 ARG HA 1 78 ALA H . . 4.640 3.890 3.539 4.264 . 0 0 "[ . 1 . 2]" 1
753 1 75 ARG QB 1 75 ARG HD2 . . 3.200 2.483 2.066 3.306 0.106 19 0 "[ . 1 . 2]" 1
754 1 75 ARG QB 1 75 ARG HD3 . . 3.240 2.799 2.119 3.388 0.148 18 0 "[ . 1 . 2]" 1
755 1 75 ARG QB 1 75 ARG HG2 . . 2.400 2.451 2.199 2.556 0.156 18 0 "[ . 1 . 2]" 1
756 1 75 ARG QB 1 76 LYS H . . 3.780 2.423 1.906 3.026 . 0 0 "[ . 1 . 2]" 1
757 1 75 ARG HG2 1 76 LYS H . . 4.220 4.340 4.222 4.719 0.499 7 0 "[ . 1 . 2]" 1
758 1 76 LYS H 1 76 LYS HB2 . . 3.360 2.101 2.025 2.209 . 0 0 "[ . 1 . 2]" 1
759 1 76 LYS H 1 76 LYS HB3 . . 3.600 3.335 3.185 3.452 . 0 0 "[ . 1 . 2]" 1
760 1 76 LYS HA 1 76 LYS HB2 . . 3.030 2.920 2.863 2.982 . 0 0 "[ . 1 . 2]" 1
761 1 76 LYS HA 1 76 LYS HD2 . . 3.530 2.732 1.976 3.331 . 0 0 "[ . 1 . 2]" 1
762 1 76 LYS HA 1 76 LYS HD3 . . 3.590 2.519 1.982 3.543 . 0 0 "[ . 1 . 2]" 1
763 1 76 LYS HA 1 76 LYS HE2 . . 4.730 4.485 3.984 4.898 0.168 6 0 "[ . 1 . 2]" 1
764 1 76 LYS HA 1 79 GLU H . . 4.570 2.901 2.646 3.258 . 0 0 "[ . 1 . 2]" 1
765 1 76 LYS HA 1 79 GLU HB2 . . 3.580 3.077 2.589 3.555 . 0 0 "[ . 1 . 2]" 1
766 1 76 LYS HA 1 79 GLU HB3 . . 3.200 2.682 2.194 3.522 0.322 19 0 "[ . 1 . 2]" 1
767 1 76 LYS HA 1 79 GLU QG . . 4.640 4.141 3.782 4.342 . 0 0 "[ . 1 . 2]" 1
768 1 76 LYS HB2 1 77 VAL H . . 4.160 3.265 3.092 3.485 . 0 0 "[ . 1 . 2]" 1
769 1 76 LYS HB3 1 77 VAL H . . 3.590 3.418 3.012 3.831 0.241 17 0 "[ . 1 . 2]" 1
770 1 76 LYS HD2 1 79 GLU QG . . 3.570 3.086 2.757 3.635 0.065 16 0 "[ . 1 . 2]" 1
771 1 77 VAL H 1 77 VAL HB . . 3.460 2.336 2.023 3.504 0.044 20 0 "[ . 1 . 2]" 1
772 1 77 VAL H 1 77 VAL QG . . 3.470 2.417 1.802 2.711 . 0 0 "[ . 1 . 2]" 1
773 1 77 VAL H 1 78 ALA H . . 3.980 2.848 2.735 3.004 . 0 0 "[ . 1 . 2]" 1
774 1 77 VAL H 1 78 ALA MB . . 5.500 4.387 4.246 4.539 . 0 0 "[ . 1 . 2]" 1
775 1 77 VAL HA 1 77 VAL QG . . 3.200 2.137 2.022 2.381 . 0 0 "[ . 1 . 2]" 1
776 1 77 VAL HA 1 80 ILE HB . . 4.360 4.415 4.355 4.470 0.110 10 0 "[ . 1 . 2]" 1
777 1 77 VAL HA 1 80 ILE MD . . 3.960 3.959 3.736 4.049 0.089 16 0 "[ . 1 . 2]" 1
778 1 77 VAL HA 1 81 ARG H . . 4.430 3.597 3.431 3.938 . 0 0 "[ . 1 . 2]" 1
779 1 77 VAL HB 1 78 ALA H . . 3.740 3.123 2.740 3.878 0.138 20 0 "[ . 1 . 2]" 1
780 1 77 VAL QG 1 78 ALA H . . 4.250 2.793 1.819 3.191 . 0 0 "[ . 1 . 2]" 1
781 1 77 VAL QG 1 78 ALA HA . . 3.470 3.068 2.884 3.252 . 0 0 "[ . 1 . 2]" 1
782 1 77 VAL QG 1 78 ALA MB . . 3.950 3.360 2.842 3.587 . 0 0 "[ . 1 . 2]" 1
783 1 77 VAL QG 1 81 ARG H . . 4.240 3.787 3.581 4.195 . 0 0 "[ . 1 . 2]" 1
784 1 77 VAL QG 1 81 ARG HD2 . . 5.010 4.410 3.995 4.886 . 0 0 "[ . 1 . 2]" 1
785 1 77 VAL QG 1 81 ARG HD3 . . 4.050 3.529 3.122 3.965 . 0 0 "[ . 1 . 2]" 1
786 1 77 VAL QG 1 81 ARG HG2 . . 4.350 2.593 2.079 3.564 . 0 0 "[ . 1 . 2]" 1
787 1 77 VAL QG 1 81 ARG HG3 . . 3.410 2.347 2.015 2.683 . 0 0 "[ . 1 . 2]" 1
788 1 78 ALA H 1 78 ALA MB . . 3.210 2.063 1.937 2.206 . 0 0 "[ . 1 . 2]" 1
789 1 78 ALA H 1 79 GLU H . . 4.160 2.557 2.262 2.811 . 0 0 "[ . 1 . 2]" 1
790 1 78 ALA H 1 80 ILE H . . 4.760 4.424 3.888 4.760 . 0 0 "[ . 1 . 2]" 1
791 1 78 ALA HA 1 81 ARG H . . 3.610 3.513 3.184 3.636 0.026 2 0 "[ . 1 . 2]" 1
792 1 78 ALA HA 1 81 ARG QB . . 3.140 2.115 1.986 2.249 . 0 0 "[ . 1 . 2]" 1
793 1 78 ALA HA 1 81 ARG HG3 . . 3.400 2.740 1.998 3.085 . 0 0 "[ . 1 . 2]" 1
794 1 78 ALA HA 1 82 LYS H . . 4.340 4.068 3.834 4.330 . 0 0 "[ . 1 . 2]" 1
795 1 78 ALA MB 1 79 GLU H . . 4.030 2.786 2.436 2.971 . 0 0 "[ . 1 . 2]" 1
796 1 79 GLU H 1 79 GLU HB2 . . 3.550 2.604 2.231 2.784 . 0 0 "[ . 1 . 2]" 1
797 1 79 GLU H 1 79 GLU HB3 . . 3.680 2.390 2.237 2.792 . 0 0 "[ . 1 . 2]" 1
798 1 79 GLU H 1 79 GLU QG . . 4.470 3.919 3.852 4.021 . 0 0 "[ . 1 . 2]" 1
799 1 79 GLU H 1 80 ILE H . . 3.390 2.744 2.538 3.044 . 0 0 "[ . 1 . 2]" 1
800 1 79 GLU HA 1 79 GLU QG . . 3.250 2.849 2.236 3.136 . 0 0 "[ . 1 . 2]" 1
801 1 79 GLU HA 1 82 LYS H . . 4.780 3.977 3.654 4.147 . 0 0 "[ . 1 . 2]" 1
802 1 79 GLU HA 1 82 LYS QB . . 3.830 3.607 3.083 3.781 . 0 0 "[ . 1 . 2]" 1
803 1 79 GLU HB2 1 80 ILE H . . 4.600 3.819 3.432 4.103 . 0 0 "[ . 1 . 2]" 1
804 1 79 GLU HB3 1 79 GLU QG . . 2.590 2.262 2.190 2.513 . 0 0 "[ . 1 . 2]" 1
805 1 79 GLU HB3 1 80 ILE H . . 4.110 2.451 2.164 2.810 . 0 0 "[ . 1 . 2]" 1
806 1 80 ILE H 1 80 ILE HB . . 3.120 2.606 2.435 2.815 . 0 0 "[ . 1 . 2]" 1
807 1 80 ILE H 1 80 ILE HG12 . . 4.750 4.401 4.337 4.451 . 0 0 "[ . 1 . 2]" 1
808 1 80 ILE H 1 80 ILE MG . . 4.160 1.940 1.868 2.068 . 0 0 "[ . 1 . 2]" 1
809 1 80 ILE HA 1 80 ILE MD . . 3.760 3.362 3.256 3.457 . 0 0 "[ . 1 . 2]" 1
810 1 80 ILE HA 1 80 ILE HG12 . . 3.220 2.433 2.321 2.510 . 0 0 "[ . 1 . 2]" 1
811 1 80 ILE HA 1 80 ILE HG13 . . 3.700 3.569 3.407 3.662 . 0 0 "[ . 1 . 2]" 1
812 1 80 ILE HA 1 80 ILE MG . . 3.100 3.204 3.188 3.214 0.114 6 0 "[ . 1 . 2]" 1
813 1 80 ILE HB 1 80 ILE MD . . 3.350 3.165 3.120 3.184 . 0 0 "[ . 1 . 2]" 1
814 1 80 ILE MD 1 80 ILE MG . . 2.400 1.838 1.783 1.864 . 0 0 "[ . 1 . 2]" 1
815 1 80 ILE MD 1 81 ARG H . . 4.090 2.938 2.737 3.207 . 0 0 "[ . 1 . 2]" 1
816 1 80 ILE MD 1 81 ARG QB . . 4.480 4.169 3.981 4.444 . 0 0 "[ . 1 . 2]" 1
817 1 80 ILE HG12 1 80 ILE MG . . 3.300 3.210 3.168 3.229 . 0 0 "[ . 1 . 2]" 1
818 1 80 ILE HG12 1 81 ARG H . . 4.520 4.577 4.517 4.658 0.138 9 0 "[ . 1 . 2]" 1
819 1 80 ILE HG13 1 80 ILE MG . . 3.460 2.577 2.482 2.723 . 0 0 "[ . 1 . 2]" 1
820 1 80 ILE MG 1 81 ARG H . . 3.890 1.956 1.895 2.109 . 0 0 "[ . 1 . 2]" 1
821 1 80 ILE MG 1 81 ARG HG2 . . 3.930 3.089 2.844 3.352 . 0 0 "[ . 1 . 2]" 1
822 1 80 ILE MG 1 81 ARG HG3 . . 4.330 4.159 3.778 4.346 0.016 14 0 "[ . 1 . 2]" 1
823 1 81 ARG H 1 81 ARG QB . . 3.060 2.201 2.136 2.378 . 0 0 "[ . 1 . 2]" 1
824 1 81 ARG H 1 81 ARG HD2 . . 4.650 4.577 4.412 4.668 0.018 20 0 "[ . 1 . 2]" 1
825 1 81 ARG H 1 81 ARG HG2 . . 4.120 2.795 2.498 2.943 . 0 0 "[ . 1 . 2]" 1
826 1 81 ARG H 1 81 ARG HG3 . . 4.170 3.521 3.024 3.679 . 0 0 "[ . 1 . 2]" 1
827 1 81 ARG H 1 82 LYS H . . 3.910 3.089 2.951 3.211 . 0 0 "[ . 1 . 2]" 1
828 1 81 ARG HA 1 81 ARG HD2 . . 3.930 2.549 2.237 2.977 . 0 0 "[ . 1 . 2]" 1
829 1 81 ARG HA 1 81 ARG HD3 . . 3.880 3.605 3.180 3.830 . 0 0 "[ . 1 . 2]" 1
830 1 81 ARG QB 1 81 ARG HD2 . . 3.360 2.522 2.244 2.703 . 0 0 "[ . 1 . 2]" 1
831 1 81 ARG QB 1 81 ARG HG3 . . 2.450 2.188 2.179 2.197 . 0 0 "[ . 1 . 2]" 1
832 1 81 ARG QB 1 82 LYS H . . 3.740 2.360 2.172 2.488 . 0 0 "[ . 1 . 2]" 1
833 1 82 LYS H 1 82 LYS QB . . 3.390 2.058 1.990 2.122 . 0 0 "[ . 1 . 2]" 1
834 1 82 LYS H 1 82 LYS QG . . 4.070 3.523 2.835 4.021 . 0 0 "[ . 1 . 2]" 1
835 1 82 LYS HA 1 82 LYS QD . . 3.870 3.051 2.033 3.781 . 0 0 "[ . 1 . 2]" 1
836 1 82 LYS HA 1 82 LYS QG . . 3.680 2.452 1.983 3.440 . 0 0 "[ . 1 . 2]" 1
837 1 82 LYS QB 1 83 SER H . . 3.590 2.809 1.937 3.472 . 0 0 "[ . 1 . 2]" 1
838 1 82 LYS QD 1 82 LYS QG . . 2.490 2.103 2.059 2.134 . 0 0 "[ . 1 . 2]" 1
839 1 82 LYS QD 1 83 SER H . . 4.990 3.637 2.309 4.923 . 0 0 "[ . 1 . 2]" 1
840 1 82 LYS QG 1 83 SER H . . 5.500 3.501 1.940 4.447 . 0 0 "[ . 1 . 2]" 1
841 1 83 SER H 1 83 SER QB . . 3.700 2.836 2.253 3.138 . 0 0 "[ . 1 . 2]" 1
842 1 83 SER H 1 84 GLY QA . . 4.360 4.121 3.621 4.396 0.036 10 0 "[ . 1 . 2]" 1
843 1 83 SER QB 1 84 GLY H . . 4.840 3.360 1.932 4.117 . 0 0 "[ . 1 . 2]" 1
844 1 84 GLY H 1 85 PRO QD . . 4.970 3.121 2.127 4.333 . 0 0 "[ . 1 . 2]" 1
845 1 84 GLY QA 1 85 PRO QD . . 2.990 1.998 1.845 2.241 . 0 0 "[ . 1 . 2]" 1
846 1 84 GLY QA 1 85 PRO QG . . 4.630 3.841 3.701 4.066 . 0 0 "[ . 1 . 2]" 1
847 1 85 PRO HA 1 86 SER QB . . 3.770 3.771 3.705 3.863 0.093 14 0 "[ . 1 . 2]" 1
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