NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
452873 |
2yqe   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2yqe
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 1577
_Distance_constraint_stats_list.Viol_count 452
_Distance_constraint_stats_list.Viol_total 976.459
_Distance_constraint_stats_list.Viol_max 1.056
_Distance_constraint_stats_list.Viol_rms 0.0291
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0015
_Distance_constraint_stats_list.Viol_average_violations_only 0.1080
_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 THR 0.015 0.015 17 0 "[ . 1 . 2]"
1 9 ARG 0.002 0.001 16 0 "[ . 1 . 2]"
1 10 VAL 0.010 0.004 17 0 "[ . 1 . 2]"
1 11 LYS 0.355 0.137 20 0 "[ . 1 . 2]"
1 12 LEU 0.068 0.022 17 0 "[ . 1 . 2]"
1 13 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 TYR 0.019 0.007 17 0 "[ . 1 . 2]"
1 15 LEU 0.001 0.001 18 0 "[ . 1 . 2]"
1 16 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 GLN 0.332 0.187 18 0 "[ . 1 . 2]"
1 18 ILE 0.049 0.023 6 0 "[ . 1 . 2]"
1 19 ALA 0.040 0.023 6 0 "[ . 1 . 2]"
1 20 LYS 0.064 0.019 14 0 "[ . 1 . 2]"
1 21 PHE 0.006 0.003 11 0 "[ . 1 . 2]"
1 22 TRP 0.068 0.030 19 0 "[ . 1 . 2]"
1 23 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 SER 0.001 0.001 9 0 "[ . 1 . 2]"
1 28 SER 0.003 0.003 6 0 "[ . 1 . 2]"
1 29 LEU 8.439 1.056 18 7 "[*- *.* * 1 .* + 2]"
1 30 LYS 0.009 0.005 3 0 "[ . 1 . 2]"
1 31 ILE 8.497 1.056 18 7 "[*- *.* * 1 .* + 2]"
1 32 PRO 0.014 0.011 19 0 "[ . 1 . 2]"
1 33 ASN 0.017 0.009 9 0 "[ . 1 . 2]"
1 34 VAL 8.862 0.494 5 0 "[ . 1 . 2]"
1 35 GLU 8.854 0.494 5 0 "[ . 1 . 2]"
1 36 ARG 0.019 0.018 19 0 "[ . 1 . 2]"
1 37 LYS 0.165 0.034 10 0 "[ . 1 . 2]"
1 38 ILE 0.048 0.025 8 0 "[ . 1 . 2]"
1 39 LEU 0.080 0.025 6 0 "[ . 1 . 2]"
1 40 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 LEU 0.159 0.092 10 0 "[ . 1 . 2]"
1 42 TYR 0.431 0.137 20 0 "[ . 1 . 2]"
1 43 SER 0.019 0.015 5 0 "[ . 1 . 2]"
1 44 LEU 0.059 0.015 17 0 "[ . 1 . 2]"
1 45 SER 0.013 0.004 5 0 "[ . 1 . 2]"
1 46 LYS 0.222 0.076 4 0 "[ . 1 . 2]"
1 47 ILE 0.023 0.005 17 0 "[ . 1 . 2]"
1 48 VAL 0.027 0.012 14 0 "[ . 1 . 2]"
1 49 ILE 0.001 0.001 5 0 "[ . 1 . 2]"
1 50 GLU 7.628 0.551 17 8 "[ * .** 1 * - +**2]"
1 51 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 GLY 7.626 0.551 17 8 "[ * .** 1 * - +**2]"
1 53 GLY 8.802 0.603 14 5 "[ * *. * - +. 2]"
1 54 TYR 0.031 0.010 9 0 "[ . 1 . 2]"
1 55 GLU 0.017 0.010 9 0 "[ . 1 . 2]"
1 56 ALA 0.041 0.016 9 0 "[ . 1 . 2]"
1 57 ILE 8.865 0.603 14 5 "[ * *. * - +. 2]"
1 58 CYS 0.021 0.012 14 0 "[ . 1 . 2]"
1 59 LYS 0.074 0.047 9 0 "[ . 1 . 2]"
1 60 ASP 0.001 0.001 17 0 "[ . 1 . 2]"
1 61 ARG 0.035 0.034 20 0 "[ . 1 . 2]"
1 62 ARG 0.031 0.007 9 0 "[ . 1 . 2]"
1 63 TRP 0.106 0.031 13 0 "[ . 1 . 2]"
1 64 ALA 0.005 0.003 17 0 "[ . 1 . 2]"
1 65 ARG 0.005 0.005 19 0 "[ . 1 . 2]"
1 66 VAL 0.011 0.005 19 0 "[ . 1 . 2]"
1 67 ALA 0.007 0.003 20 0 "[ . 1 . 2]"
1 68 GLN 0.045 0.026 11 0 "[ . 1 . 2]"
1 69 ARG 0.066 0.017 13 0 "[ . 1 . 2]"
1 70 LEU 0.033 0.015 17 0 "[ . 1 . 2]"
1 71 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 TYR 0.027 0.014 17 0 "[ . 1 . 2]"
1 73 PRO 0.018 0.004 2 0 "[ . 1 . 2]"
1 74 PRO 0.010 0.004 2 0 "[ . 1 . 2]"
1 76 LYS 11.836 1.026 5 14 "[ **+ ** 1******-**2]"
1 77 ASN 0.001 0.001 12 0 "[ . 1 . 2]"
1 78 ILE 11.844 1.026 5 14 "[ **+ ** 1******-**2]"
1 79 GLY 0.017 0.005 13 0 "[ . 1 . 2]"
1 80 SER 0.003 0.001 12 0 "[ . 1 . 2]"
1 81 LEU 0.012 0.005 11 0 "[ . 1 . 2]"
1 82 LEU 0.349 0.039 19 0 "[ . 1 . 2]"
1 83 ARG 0.642 0.127 14 0 "[ . 1 . 2]"
1 84 SER 0.012 0.004 14 0 "[ . 1 . 2]"
1 85 HIS 0.053 0.012 19 0 "[ . 1 . 2]"
1 86 TYR 0.019 0.009 17 0 "[ . 1 . 2]"
1 87 GLU 0.119 0.065 19 0 "[ . 1 . 2]"
1 88 ARG 0.064 0.028 17 0 "[ . 1 . 2]"
1 89 ILE 0.029 0.012 19 0 "[ . 1 . 2]"
1 90 ILE 0.043 0.012 19 0 "[ . 1 . 2]"
1 91 TYR 0.168 0.065 19 0 "[ . 1 . 2]"
1 92 PRO 0.056 0.030 19 0 "[ . 1 . 2]"
1 93 TYR 0.008 0.003 11 0 "[ . 1 . 2]"
1 94 GLU 0.038 0.010 3 0 "[ . 1 . 2]"
1 95 MET 0.070 0.022 10 0 "[ . 1 . 2]"
1 96 PHE 0.019 0.015 7 0 "[ . 1 . 2]"
1 97 GLN 0.162 0.059 14 0 "[ . 1 . 2]"
1 98 SER 0.036 0.020 6 0 "[ . 1 . 2]"
1 99 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 100 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 53 GLY H 1 57 ILE H . . 4.500 4.940 4.780 5.103 0.603 14 5 "[ * *. * - +. 2]" 1
2 1 34 VAL H 1 35 GLU H . . 4.000 4.439 4.345 4.494 0.494 5 0 "[ . 1 . 2]" 1
3 1 76 LYS H 1 78 ILE H . . 4.500 5.092 4.500 5.526 1.026 5 14 "[ **+ ** 1******-**2]" 1
4 1 29 LEU HG 1 31 ILE H . . 4.000 4.422 3.999 5.056 1.056 18 7 "[*- *.* * 1 .* + 2]" 1
5 1 50 GLU HA 1 52 GLY H . . 4.000 4.379 3.989 4.551 0.551 17 8 "[ * .** 1 * - +**2]" 1
6 1 35 GLU H 1 35 GLU HA . . 2.500 2.280 2.274 2.301 . 0 0 "[ . 1 . 2]" 1
7 1 30 LYS HA 1 31 ILE H . . 2.500 2.189 2.142 2.299 . 0 0 "[ . 1 . 2]" 1
8 1 98 SER H 1 98 SER HB3 . . 4.040 2.802 2.340 3.848 . 0 0 "[ . 1 . 2]" 1
9 1 97 GLN H 1 98 SER H . . 3.740 3.115 2.601 3.736 . 0 0 "[ . 1 . 2]" 1
10 1 98 SER H 1 99 GLY H . . 4.270 3.322 2.150 4.262 . 0 0 "[ . 1 . 2]" 1
11 1 96 PHE HB3 1 97 GLN H . . 4.160 2.379 2.202 2.566 . 0 0 "[ . 1 . 2]" 1
12 1 96 PHE HB2 1 97 GLN H . . 4.160 3.754 3.560 3.926 . 0 0 "[ . 1 . 2]" 1
13 1 95 MET QG 1 96 PHE H . . 3.770 2.128 1.884 3.785 0.015 7 0 "[ . 1 . 2]" 1
14 1 95 MET HB3 1 96 PHE H . . 4.300 3.784 3.366 3.983 . 0 0 "[ . 1 . 2]" 1
15 1 96 PHE H 1 96 PHE HB3 . . 3.300 2.497 2.268 2.792 . 0 0 "[ . 1 . 2]" 1
16 1 96 PHE H 1 96 PHE HB2 . . 3.300 2.594 2.310 2.843 . 0 0 "[ . 1 . 2]" 1
17 1 92 PRO HA 1 96 PHE H . . 4.420 3.651 3.060 4.175 . 0 0 "[ . 1 . 2]" 1
18 1 96 PHE H 1 97 GLN H . . 3.620 2.726 2.541 2.986 . 0 0 "[ . 1 . 2]" 1
19 1 95 MET H 1 96 PHE H . . 3.470 2.805 2.668 2.941 . 0 0 "[ . 1 . 2]" 1
20 1 95 MET H 1 95 MET QG . . 3.300 2.482 2.209 2.815 . 0 0 "[ . 1 . 2]" 1
21 1 94 GLU HB2 1 95 MET H . . 3.500 2.416 2.203 2.571 . 0 0 "[ . 1 . 2]" 1
22 1 95 MET H 1 95 MET HB3 . . 3.770 2.403 2.196 3.590 . 0 0 "[ . 1 . 2]" 1
23 1 94 GLU HB3 1 95 MET H . . 3.880 2.952 2.786 3.245 . 0 0 "[ . 1 . 2]" 1
24 1 94 GLU HG3 1 95 MET H . . 4.910 4.641 4.454 4.849 . 0 0 "[ . 1 . 2]" 1
25 1 94 GLU HG2 1 95 MET H . . 4.910 4.613 4.468 4.813 . 0 0 "[ . 1 . 2]" 1
26 1 93 TYR H 1 95 MET H . . 4.860 4.547 4.095 4.827 . 0 0 "[ . 1 . 2]" 1
27 1 94 GLU H 1 94 GLU HB2 . . 3.540 2.235 2.194 2.286 . 0 0 "[ . 1 . 2]" 1
28 1 94 GLU H 1 94 GLU HB3 . . 3.860 3.524 3.498 3.553 . 0 0 "[ . 1 . 2]" 1
29 1 94 GLU H 1 94 GLU HG3 . . 3.800 3.576 2.849 3.810 0.010 3 0 "[ . 1 . 2]" 1
30 1 91 TYR HA 1 94 GLU H . . 4.210 4.035 3.923 4.176 . 0 0 "[ . 1 . 2]" 1
31 1 93 TYR H 1 94 GLU H . . 3.440 2.682 2.565 2.840 . 0 0 "[ . 1 . 2]" 1
32 1 18 ILE QG 1 93 TYR H . . 5.180 4.679 4.463 4.943 . 0 0 "[ . 1 . 2]" 1
33 1 90 ILE MG 1 93 TYR H . . 5.450 4.642 4.483 4.853 . 0 0 "[ . 1 . 2]" 1
34 1 93 TYR H 1 93 TYR HB3 . . 3.540 2.291 2.188 2.412 . 0 0 "[ . 1 . 2]" 1
35 1 92 PRO HD2 1 93 TYR H . . 4.540 2.666 2.646 2.750 . 0 0 "[ . 1 . 2]" 1
36 1 90 ILE HA 1 93 TYR H . . 4.470 3.560 3.436 3.745 . 0 0 "[ . 1 . 2]" 1
37 1 92 PRO HD3 1 93 TYR H . . 4.540 3.842 3.835 3.872 . 0 0 "[ . 1 . 2]" 1
38 1 90 ILE MG 1 91 TYR H . . 4.230 4.123 3.869 4.200 . 0 0 "[ . 1 . 2]" 1
39 1 90 ILE HB 1 91 TYR H . . 3.830 3.536 3.252 3.690 . 0 0 "[ . 1 . 2]" 1
40 1 91 TYR H 1 91 TYR HB2 . . 3.610 3.058 3.029 3.100 . 0 0 "[ . 1 . 2]" 1
41 1 91 TYR H 1 91 TYR HB3 . . 3.610 2.152 2.148 2.157 . 0 0 "[ . 1 . 2]" 1
42 1 86 TYR QD 1 91 TYR H . . 4.850 4.507 4.138 4.812 . 0 0 "[ . 1 . 2]" 1
43 1 18 ILE MD 1 90 ILE H . . 5.160 4.395 4.198 4.652 . 0 0 "[ . 1 . 2]" 1
44 1 89 ILE HG13 1 90 ILE H . . 5.500 4.214 4.037 4.340 . 0 0 "[ . 1 . 2]" 1
45 1 89 ILE MD 1 90 ILE H . . 5.500 4.359 4.128 4.478 . 0 0 "[ . 1 . 2]" 1
46 1 89 ILE MG 1 90 ILE H . . 3.940 3.370 3.123 3.558 . 0 0 "[ . 1 . 2]" 1
47 1 90 ILE H 1 90 ILE HB . . 3.570 2.646 2.545 2.694 . 0 0 "[ . 1 . 2]" 1
48 1 90 ILE H 1 90 ILE HG13 . . 4.140 1.999 1.899 2.108 . 0 0 "[ . 1 . 2]" 1
49 1 90 ILE H 1 90 ILE HG12 . . 4.140 3.182 3.054 3.342 . 0 0 "[ . 1 . 2]" 1
50 1 89 ILE HB 1 90 ILE H . . 3.710 2.512 2.200 2.704 . 0 0 "[ . 1 . 2]" 1
51 1 89 ILE H 1 90 ILE H . . 3.510 2.152 2.047 2.380 . 0 0 "[ . 1 . 2]" 1
52 1 90 ILE H 1 91 TYR H . . 3.560 2.597 2.543 2.663 . 0 0 "[ . 1 . 2]" 1
53 1 89 ILE H 1 89 ILE HG13 . . 3.880 2.701 2.531 2.882 . 0 0 "[ . 1 . 2]" 1
54 1 89 ILE H 1 89 ILE MG . . 4.080 3.818 3.782 3.860 . 0 0 "[ . 1 . 2]" 1
55 1 89 ILE H 1 90 ILE HB . . 4.920 4.472 4.215 4.712 . 0 0 "[ . 1 . 2]" 1
56 1 89 ILE H 1 90 ILE MD . . 5.400 4.930 4.767 5.084 . 0 0 "[ . 1 . 2]" 1
57 1 89 ILE H 1 89 ILE HB . . 3.280 2.573 2.495 2.662 . 0 0 "[ . 1 . 2]" 1
58 1 89 ILE H 1 91 TYR H . . 4.680 3.276 3.017 3.415 . 0 0 "[ . 1 . 2]" 1
59 1 88 ARG H 1 88 ARG HG2 . . 4.780 4.301 3.204 4.788 0.008 17 0 "[ . 1 . 2]" 1
60 1 87 GLU HB2 1 88 ARG H . . 4.220 3.404 3.340 3.485 . 0 0 "[ . 1 . 2]" 1
61 1 88 ARG H 1 88 ARG QD . . 4.660 4.420 3.971 4.663 0.003 10 0 "[ . 1 . 2]" 1
62 1 88 ARG H 1 89 ILE H . . 3.520 2.342 2.036 2.537 . 0 0 "[ . 1 . 2]" 1
63 1 87 GLU H 1 88 ARG H . . 3.760 2.539 2.292 2.680 . 0 0 "[ . 1 . 2]" 1
64 1 87 GLU H 1 87 GLU HB2 . . 3.830 2.313 2.170 2.494 . 0 0 "[ . 1 . 2]" 1
65 1 87 GLU H 1 87 GLU HG2 . . 4.010 3.240 2.507 3.854 . 0 0 "[ . 1 . 2]" 1
66 1 86 TYR HB2 1 87 GLU H . . 4.100 3.713 3.445 4.087 . 0 0 "[ . 1 . 2]" 1
67 1 86 TYR HB3 1 87 GLU H . . 3.850 2.307 1.939 2.889 . 0 0 "[ . 1 . 2]" 1
68 1 86 TYR QD 1 87 GLU H . . 4.290 2.895 2.486 3.610 . 0 0 "[ . 1 . 2]" 1
69 1 86 TYR H 1 87 GLU H . . 3.790 2.752 2.344 3.090 . 0 0 "[ . 1 . 2]" 1
70 1 44 LEU MD2 1 86 TYR H . . 4.160 3.867 3.598 4.078 . 0 0 "[ . 1 . 2]" 1
71 1 83 ARG HA 1 86 TYR H . . 4.460 3.841 3.645 4.006 . 0 0 "[ . 1 . 2]" 1
72 1 85 HIS HB3 1 86 TYR H . . 4.230 3.400 3.009 3.659 . 0 0 "[ . 1 . 2]" 1
73 1 85 HIS HB2 1 86 TYR H . . 4.020 2.905 2.607 3.173 . 0 0 "[ . 1 . 2]" 1
74 1 86 TYR H 1 86 TYR HB2 . . 3.500 2.570 2.440 2.768 . 0 0 "[ . 1 . 2]" 1
75 1 86 TYR H 1 86 TYR HB3 . . 3.530 2.522 2.386 2.645 . 0 0 "[ . 1 . 2]" 1
76 1 86 TYR H 1 86 TYR QD . . 4.480 4.188 4.122 4.216 . 0 0 "[ . 1 . 2]" 1
77 1 85 HIS H 1 86 TYR H . . 3.620 2.902 2.657 3.046 . 0 0 "[ . 1 . 2]" 1
78 1 81 LEU MD2 1 85 HIS H . . 4.590 3.489 3.131 3.786 . 0 0 "[ . 1 . 2]" 1
79 1 85 HIS H 1 85 HIS HB3 . . 3.860 3.558 3.519 3.588 . 0 0 "[ . 1 . 2]" 1
80 1 85 HIS H 1 85 HIS HB2 . . 3.510 2.295 2.223 2.359 . 0 0 "[ . 1 . 2]" 1
81 1 82 LEU HA 1 85 HIS H . . 3.940 3.732 3.338 3.895 . 0 0 "[ . 1 . 2]" 1
82 1 85 HIS H 1 85 HIS HD2 . . 4.570 4.289 4.133 4.455 . 0 0 "[ . 1 . 2]" 1
83 1 83 ARG HB3 1 84 SER H . . 4.060 2.555 2.270 2.866 . 0 0 "[ . 1 . 2]" 1
84 1 83 ARG HB2 1 84 SER H . . 3.640 3.575 3.452 3.644 0.004 14 0 "[ . 1 . 2]" 1
85 1 81 LEU HA 1 84 SER H . . 4.130 3.856 3.770 4.055 . 0 0 "[ . 1 . 2]" 1
86 1 83 ARG H 1 84 SER H . . 3.630 2.997 2.904 3.107 . 0 0 "[ . 1 . 2]" 1
87 1 84 SER H 1 85 HIS H . . 3.630 2.955 2.660 3.080 . 0 0 "[ . 1 . 2]" 1
88 1 83 ARG H 1 83 ARG HB3 . . 3.520 3.006 2.904 3.088 . 0 0 "[ . 1 . 2]" 1
89 1 82 LEU MD2 1 83 ARG H . . 4.800 4.503 4.438 4.563 . 0 0 "[ . 1 . 2]" 1
90 1 82 LEU MD1 1 83 ARG H . . 4.350 3.855 3.580 3.983 . 0 0 "[ . 1 . 2]" 1
91 1 83 ARG H 1 83 ARG HB2 . . 3.440 2.191 2.144 2.243 . 0 0 "[ . 1 . 2]" 1
92 1 82 LEU HB2 1 83 ARG H . . 4.070 1.999 1.988 2.022 . 0 0 "[ . 1 . 2]" 1
93 1 80 SER QB 1 83 ARG H . . 5.500 5.355 5.237 5.446 . 0 0 "[ . 1 . 2]" 1
94 1 83 ARG H 1 84 SER QB . . 5.500 4.856 4.683 5.099 . 0 0 "[ . 1 . 2]" 1
95 1 82 LEU H 1 83 ARG H . . 3.700 3.032 2.983 3.094 . 0 0 "[ . 1 . 2]" 1
96 1 81 LEU MD2 1 82 LEU H . . 4.190 3.029 2.722 3.276 . 0 0 "[ . 1 . 2]" 1
97 1 82 LEU H 1 82 LEU MD1 . . 4.070 3.422 3.219 3.550 . 0 0 "[ . 1 . 2]" 1
98 1 82 LEU H 1 82 LEU HB2 . . 3.950 2.687 2.611 2.757 . 0 0 "[ . 1 . 2]" 1
99 1 82 LEU H 1 82 LEU HG . . 3.380 1.913 1.897 2.011 . 0 0 "[ . 1 . 2]" 1
100 1 82 LEU H 1 82 LEU HB3 . . 3.650 3.574 3.565 3.582 . 0 0 "[ . 1 . 2]" 1
101 1 81 LEU H 1 81 LEU MD2 . . 4.330 4.250 4.126 4.319 . 0 0 "[ . 1 . 2]" 1
102 1 81 LEU H 1 82 LEU HG . . 4.600 4.384 4.246 4.535 . 0 0 "[ . 1 . 2]" 1
103 1 80 SER QB 1 81 LEU H . . 3.690 2.293 2.089 2.544 . 0 0 "[ . 1 . 2]" 1
104 1 80 SER H 1 81 LEU H . . 3.410 2.848 2.733 3.013 . 0 0 "[ . 1 . 2]" 1
105 1 81 LEU H 1 82 LEU H . . 3.520 2.973 2.857 3.111 . 0 0 "[ . 1 . 2]" 1
106 1 80 SER H 1 80 SER QB . . 3.100 2.266 2.137 2.536 . 0 0 "[ . 1 . 2]" 1
107 1 79 GLY H 1 80 SER H . . 4.080 3.129 3.048 3.206 . 0 0 "[ . 1 . 2]" 1
108 1 67 ALA MB 1 72 TYR H . . 4.850 4.664 4.480 4.840 . 0 0 "[ . 1 . 2]" 1
109 1 72 TYR H 1 72 TYR HB2 . . 3.290 2.244 2.196 2.350 . 0 0 "[ . 1 . 2]" 1
110 1 72 TYR H 1 72 TYR HB3 . . 3.710 3.511 3.486 3.559 . 0 0 "[ . 1 . 2]" 1
111 1 70 LEU HA 1 72 TYR H . . 5.500 4.931 4.514 5.213 . 0 0 "[ . 1 . 2]" 1
112 1 68 GLN HA 1 72 TYR H . . 3.540 2.514 2.269 3.155 . 0 0 "[ . 1 . 2]" 1
113 1 70 LEU H 1 72 TYR H . . 4.120 3.665 3.337 3.968 . 0 0 "[ . 1 . 2]" 1
114 1 71 HIS H 1 72 TYR H . . 3.420 2.701 2.522 2.886 . 0 0 "[ . 1 . 2]" 1
115 1 69 ARG HA 1 71 HIS H . . 4.670 3.469 3.344 3.529 . 0 0 "[ . 1 . 2]" 1
116 1 71 HIS H 1 72 TYR HB2 . . 4.890 4.555 4.416 4.759 . 0 0 "[ . 1 . 2]" 1
117 1 70 LEU H 1 70 LEU MD1 . . 4.340 3.977 3.868 4.240 . 0 0 "[ . 1 . 2]" 1
118 1 70 LEU H 1 70 LEU HB3 . . 3.690 2.677 2.620 2.716 . 0 0 "[ . 1 . 2]" 1
119 1 68 GLN HA 1 70 LEU H . . 4.070 3.958 3.752 4.072 0.002 15 0 "[ . 1 . 2]" 1
120 1 70 LEU H 1 71 HIS H . . 3.390 2.749 2.586 2.862 . 0 0 "[ . 1 . 2]" 1
121 1 69 ARG H 1 70 LEU H . . 3.610 2.659 2.436 2.794 . 0 0 "[ . 1 . 2]" 1
122 1 66 VAL HA 1 69 ARG H . . 4.150 3.735 3.631 3.895 . 0 0 "[ . 1 . 2]" 1
123 1 69 ARG H 1 72 TYR HB2 . . 5.500 5.018 4.671 5.514 0.014 17 0 "[ . 1 . 2]" 1
124 1 68 GLN HB2 1 69 ARG H . . 4.160 3.606 2.779 4.133 . 0 0 "[ . 1 . 2]" 1
125 1 69 ARG H 1 69 ARG QB . . 3.270 2.284 2.182 2.542 . 0 0 "[ . 1 . 2]" 1
126 1 68 GLN H 1 68 GLN HB3 . . 3.690 2.982 2.407 3.589 . 0 0 "[ . 1 . 2]" 1
127 1 68 GLN H 1 68 GLN HG3 . . 4.750 3.951 2.177 4.530 . 0 0 "[ . 1 . 2]" 1
128 1 68 GLN H 1 72 TYR HB2 . . 5.200 4.102 3.835 4.593 . 0 0 "[ . 1 . 2]" 1
129 1 68 GLN H 1 69 ARG H . . 3.540 2.704 2.624 2.783 . 0 0 "[ . 1 . 2]" 1
130 1 66 VAL MG1 1 67 ALA H . . 3.860 3.536 3.318 3.733 . 0 0 "[ . 1 . 2]" 1
131 1 66 VAL HB 1 67 ALA H . . 3.460 2.721 2.485 3.024 . 0 0 "[ . 1 . 2]" 1
132 1 66 VAL H 1 67 ALA H . . 3.560 2.802 2.668 2.967 . 0 0 "[ . 1 . 2]" 1
133 1 67 ALA H 1 68 GLN H . . 3.550 2.668 2.509 2.802 . 0 0 "[ . 1 . 2]" 1
134 1 66 VAL H 1 67 ALA MB . . 5.350 4.439 4.293 4.569 . 0 0 "[ . 1 . 2]" 1
135 1 65 ARG HB3 1 66 VAL H . . 4.320 3.045 2.477 3.732 . 0 0 "[ . 1 . 2]" 1
136 1 66 VAL H 1 66 VAL HB . . 3.340 2.585 2.485 2.659 . 0 0 "[ . 1 . 2]" 1
137 1 65 ARG H 1 66 VAL H . . 3.370 2.699 2.561 2.857 . 0 0 "[ . 1 . 2]" 1
138 1 65 ARG H 1 65 ARG HG3 . . 4.670 3.961 3.345 4.511 . 0 0 "[ . 1 . 2]" 1
139 1 65 ARG H 1 65 ARG HB3 . . 3.610 3.281 2.605 3.594 . 0 0 "[ . 1 . 2]" 1
140 1 65 ARG H 1 66 VAL HB . . 4.970 4.850 4.711 4.975 0.005 19 0 "[ . 1 . 2]" 1
141 1 63 TRP HA 1 65 ARG H . . 5.220 4.649 4.287 4.950 . 0 0 "[ . 1 . 2]" 1
142 1 63 TRP H 1 65 ARG H . . 5.010 4.621 4.192 4.884 . 0 0 "[ . 1 . 2]" 1
143 1 64 ALA H 1 65 ARG H . . 4.450 2.897 2.793 3.100 . 0 0 "[ . 1 . 2]" 1
144 1 57 ILE MD 1 63 TRP H . . 3.950 3.209 2.894 3.606 . 0 0 "[ . 1 . 2]" 1
145 1 63 TRP H 1 63 TRP HB2 . . 3.430 2.453 2.228 2.591 . 0 0 "[ . 1 . 2]" 1
146 1 61 ARG HA 1 63 TRP H . . 4.140 3.084 2.900 3.292 . 0 0 "[ . 1 . 2]" 1
147 1 63 TRP H 1 63 TRP HB3 . . 3.840 3.600 3.522 3.629 . 0 0 "[ . 1 . 2]" 1
148 1 63 TRP H 1 63 TRP HD1 . . 3.590 3.379 3.217 3.506 . 0 0 "[ . 1 . 2]" 1
149 1 63 TRP H 1 64 ALA H . . 4.510 2.957 2.643 3.137 . 0 0 "[ . 1 . 2]" 1
150 1 62 ARG H 1 62 ARG HB2 . . 3.610 2.384 2.222 2.598 . 0 0 "[ . 1 . 2]" 1
151 1 62 ARG H 1 62 ARG HG3 . . 4.170 3.268 2.488 3.712 . 0 0 "[ . 1 . 2]" 1
152 1 62 ARG H 1 62 ARG HG2 . . 4.170 2.877 2.116 4.079 . 0 0 "[ . 1 . 2]" 1
153 1 62 ARG H 1 62 ARG HB3 . . 4.040 3.578 3.516 3.625 . 0 0 "[ . 1 . 2]" 1
154 1 62 ARG H 1 62 ARG QD . . 4.570 4.024 3.268 4.440 . 0 0 "[ . 1 . 2]" 1
155 1 61 ARG HA 1 62 ARG H . . 3.340 2.745 2.621 2.934 . 0 0 "[ . 1 . 2]" 1
156 1 61 ARG H 1 62 ARG H . . 3.610 3.036 2.874 3.129 . 0 0 "[ . 1 . 2]" 1
157 1 61 ARG H 1 61 ARG HG3 . . 4.190 3.186 2.509 4.174 . 0 0 "[ . 1 . 2]" 1
158 1 59 LYS QB 1 61 ARG H . . 4.760 4.432 4.229 4.610 . 0 0 "[ . 1 . 2]" 1
159 1 60 ASP HB3 1 61 ARG H . . 4.450 4.226 3.834 4.436 . 0 0 "[ . 1 . 2]" 1
160 1 60 ASP HB2 1 61 ARG H . . 4.450 4.090 3.901 4.418 . 0 0 "[ . 1 . 2]" 1
161 1 61 ARG H 1 61 ARG QD . . 4.660 4.104 2.250 4.661 0.001 16 0 "[ . 1 . 2]" 1
162 1 60 ASP H 1 61 ARG H . . 3.310 2.723 2.473 2.887 . 0 0 "[ . 1 . 2]" 1
163 1 59 LYS QB 1 60 ASP H . . 3.560 2.641 2.436 2.908 . 0 0 "[ . 1 . 2]" 1
164 1 60 ASP H 1 60 ASP HB3 . . 3.690 3.399 2.811 3.650 . 0 0 "[ . 1 . 2]" 1
165 1 57 ILE HA 1 60 ASP H . . 4.470 3.496 3.353 3.621 . 0 0 "[ . 1 . 2]" 1
166 1 58 CYS HA 1 60 ASP H . . 5.270 4.397 4.065 4.595 . 0 0 "[ . 1 . 2]" 1
167 1 60 ASP H 1 61 ARG HA . . 5.500 4.675 4.482 4.780 . 0 0 "[ . 1 . 2]" 1
168 1 59 LYS H 1 60 ASP H . . 3.690 2.605 2.401 2.710 . 0 0 "[ . 1 . 2]" 1
169 1 58 CYS HB2 1 59 LYS H . . 3.920 2.747 2.541 3.005 . 0 0 "[ . 1 . 2]" 1
170 1 58 CYS HB3 1 59 LYS H . . 3.920 3.494 3.215 3.686 . 0 0 "[ . 1 . 2]" 1
171 1 59 LYS H 1 59 LYS QB . . 3.080 2.234 2.159 2.338 . 0 0 "[ . 1 . 2]" 1
172 1 57 ILE HB 1 58 CYS H . . 3.970 3.921 3.814 3.974 0.004 5 0 "[ . 1 . 2]" 1
173 1 58 CYS H 1 59 LYS QB . . 4.710 4.374 4.286 4.514 . 0 0 "[ . 1 . 2]" 1
174 1 58 CYS H 1 58 CYS HB3 . . 3.800 3.551 3.540 3.586 . 0 0 "[ . 1 . 2]" 1
175 1 58 CYS H 1 58 CYS HB2 . . 3.800 2.297 2.264 2.414 . 0 0 "[ . 1 . 2]" 1
176 1 56 ALA HA 1 58 CYS H . . 4.660 4.245 4.097 4.369 . 0 0 "[ . 1 . 2]" 1
177 1 58 CYS H 1 59 LYS H . . 3.540 2.597 2.519 2.755 . 0 0 "[ . 1 . 2]" 1
178 1 57 ILE H 1 57 ILE MD . . 4.120 3.908 3.828 3.993 . 0 0 "[ . 1 . 2]" 1
179 1 57 ILE H 1 57 ILE HG12 . . 3.800 3.417 3.329 3.502 . 0 0 "[ . 1 . 2]" 1
180 1 57 ILE H 1 57 ILE HB . . 3.620 3.602 3.592 3.613 . 0 0 "[ . 1 . 2]" 1
181 1 57 ILE H 1 57 ILE HG13 . . 3.360 2.477 2.355 2.619 . 0 0 "[ . 1 . 2]" 1
182 1 56 ALA H 1 57 ILE HG13 . . 4.410 4.191 3.993 4.416 0.006 9 0 "[ . 1 . 2]" 1
183 1 55 GLU HB3 1 56 ALA H . . 3.650 3.545 3.358 3.655 0.005 19 0 "[ . 1 . 2]" 1
184 1 56 ALA H 1 57 ILE H . . 3.510 2.954 2.798 3.135 . 0 0 "[ . 1 . 2]" 1
185 1 55 GLU H 1 56 ALA H . . 3.510 2.682 2.569 2.788 . 0 0 "[ . 1 . 2]" 1
186 1 55 GLU H 1 56 ALA MB . . 4.660 4.344 4.258 4.450 . 0 0 "[ . 1 . 2]" 1
187 1 55 GLU H 1 55 GLU HB3 . . 3.650 3.565 3.512 3.589 . 0 0 "[ . 1 . 2]" 1
188 1 54 TYR HB3 1 55 GLU H . . 4.250 2.686 2.397 2.850 . 0 0 "[ . 1 . 2]" 1
189 1 54 TYR HB2 1 55 GLU H . . 4.250 4.011 3.823 4.113 . 0 0 "[ . 1 . 2]" 1
190 1 54 TYR H 1 54 TYR QD . . 4.190 3.951 3.917 4.050 . 0 0 "[ . 1 . 2]" 1
191 1 54 TYR H 1 55 GLU H . . 3.790 2.391 2.303 2.576 . 0 0 "[ . 1 . 2]" 1
192 1 49 ILE MG 1 53 GLY H . . 4.660 3.870 3.401 4.325 . 0 0 "[ . 1 . 2]" 1
193 1 53 GLY H 1 54 TYR H . . 4.620 4.511 4.465 4.560 . 0 0 "[ . 1 . 2]" 1
194 1 52 GLY H 1 53 GLY H . . 3.230 1.857 1.797 1.974 . 0 0 "[ . 1 . 2]" 1
195 1 51 GLU H 1 51 GLU HG3 . . 3.960 2.922 2.219 3.900 . 0 0 "[ . 1 . 2]" 1
196 1 50 GLU HB2 1 51 GLU H . . 4.020 2.721 2.321 3.984 . 0 0 "[ . 1 . 2]" 1
197 1 51 GLU H 1 51 GLU HG2 . . 3.960 3.114 1.935 3.853 . 0 0 "[ . 1 . 2]" 1
198 1 48 VAL HA 1 51 GLU H . . 4.480 3.757 3.378 4.042 . 0 0 "[ . 1 . 2]" 1
199 1 47 ILE HA 1 51 GLU H . . 4.520 3.872 3.444 4.124 . 0 0 "[ . 1 . 2]" 1
200 1 51 GLU H 1 52 GLY H . . 3.650 2.931 2.576 3.146 . 0 0 "[ . 1 . 2]" 1
201 1 50 GLU H 1 51 GLU H . . 3.670 2.814 2.589 2.966 . 0 0 "[ . 1 . 2]" 1
202 1 51 GLU H 1 53 GLY H . . 4.640 4.295 3.821 4.509 . 0 0 "[ . 1 . 2]" 1
203 1 49 ILE MG 1 50 GLU H . . 3.870 3.344 3.048 3.600 . 0 0 "[ . 1 . 2]" 1
204 1 49 ILE HB 1 50 GLU H . . 3.430 2.518 2.244 2.897 . 0 0 "[ . 1 . 2]" 1
205 1 50 GLU H 1 50 GLU HB3 . . 3.690 3.342 2.199 3.573 . 0 0 "[ . 1 . 2]" 1
206 1 49 ILE H 1 49 ILE MD . . 3.630 3.400 3.325 3.486 . 0 0 "[ . 1 . 2]" 1
207 1 49 ILE H 1 49 ILE HG12 . . 3.720 3.457 3.325 3.683 . 0 0 "[ . 1 . 2]" 1
208 1 49 ILE H 1 49 ILE HB . . 3.210 2.562 2.470 2.639 . 0 0 "[ . 1 . 2]" 1
209 1 48 VAL HB 1 49 ILE H . . 3.720 2.334 2.137 2.685 . 0 0 "[ . 1 . 2]" 1
210 1 48 VAL H 1 49 ILE H . . 3.670 2.942 2.485 3.213 . 0 0 "[ . 1 . 2]" 1
211 1 49 ILE H 1 50 GLU H . . 3.590 2.817 2.555 3.045 . 0 0 "[ . 1 . 2]" 1
212 1 47 ILE H 1 47 ILE HG13 . . 3.750 2.008 1.905 2.317 . 0 0 "[ . 1 . 2]" 1
213 1 47 ILE H 1 47 ILE HG12 . . 3.750 3.421 3.242 3.705 . 0 0 "[ . 1 . 2]" 1
214 1 47 ILE H 1 47 ILE HB . . 3.160 2.591 2.431 2.654 . 0 0 "[ . 1 . 2]" 1
215 1 43 SER HA 1 47 ILE H . . 4.570 3.754 3.336 4.016 . 0 0 "[ . 1 . 2]" 1
216 1 44 LEU HA 1 47 ILE H . . 4.370 3.978 3.665 4.342 . 0 0 "[ . 1 . 2]" 1
217 1 47 ILE H 1 48 VAL H . . 3.610 2.905 2.640 3.223 . 0 0 "[ . 1 . 2]" 1
218 1 47 ILE MG 1 48 VAL H . . 3.760 3.254 2.797 3.633 . 0 0 "[ . 1 . 2]" 1
219 1 48 VAL H 1 48 VAL HB . . 3.190 2.509 2.374 2.689 . 0 0 "[ . 1 . 2]" 1
220 1 46 LYS H 1 46 LYS HG3 . . 4.100 3.685 3.330 4.086 . 0 0 "[ . 1 . 2]" 1
221 1 46 LYS H 1 46 LYS HG2 . . 4.100 2.860 2.005 3.999 . 0 0 "[ . 1 . 2]" 1
222 1 46 LYS H 1 46 LYS HB3 . . 3.720 3.554 3.474 3.594 . 0 0 "[ . 1 . 2]" 1
223 1 46 LYS H 1 46 LYS HB2 . . 3.720 2.313 2.160 2.598 . 0 0 "[ . 1 . 2]" 1
224 1 44 LEU HG 1 46 LYS H . . 5.500 5.285 5.113 5.504 0.004 9 0 "[ . 1 . 2]" 1
225 1 46 LYS H 1 47 ILE HB . . 5.500 5.127 4.887 5.284 . 0 0 "[ . 1 . 2]" 1
226 1 45 SER HB2 1 46 LYS H . . 4.290 3.452 2.211 3.868 . 0 0 "[ . 1 . 2]" 1
227 1 45 SER HB3 1 46 LYS H . . 4.290 2.681 2.019 3.674 . 0 0 "[ . 1 . 2]" 1
228 1 45 SER H 1 46 LYS H . . 3.630 2.927 2.720 3.097 . 0 0 "[ . 1 . 2]" 1
229 1 44 LEU H 1 46 LYS H . . 4.870 4.559 4.149 4.877 0.007 9 0 "[ . 1 . 2]" 1
230 1 46 LYS H 1 47 ILE H . . 3.560 3.005 2.844 3.186 . 0 0 "[ . 1 . 2]" 1
231 1 45 SER H 1 90 ILE MG . . 5.220 4.912 4.531 5.224 0.004 5 0 "[ . 1 . 2]" 1
232 1 44 LEU HB2 1 45 SER H . . 4.030 3.734 3.638 3.910 . 0 0 "[ . 1 . 2]" 1
233 1 44 LEU HG 1 45 SER H . . 4.500 2.884 2.629 3.183 . 0 0 "[ . 1 . 2]" 1
234 1 44 LEU HB3 1 45 SER H . . 3.730 2.274 2.141 2.524 . 0 0 "[ . 1 . 2]" 1
235 1 42 TYR HA 1 45 SER H . . 4.530 4.196 3.833 4.439 . 0 0 "[ . 1 . 2]" 1
236 1 45 SER H 1 45 SER HB2 . . 3.620 2.669 2.245 3.568 . 0 0 "[ . 1 . 2]" 1
237 1 45 SER H 1 45 SER HB3 . . 3.620 2.730 2.234 3.597 . 0 0 "[ . 1 . 2]" 1
238 1 44 LEU H 1 45 SER H . . 3.630 3.177 2.940 3.317 . 0 0 "[ . 1 . 2]" 1
239 1 45 SER H 1 47 ILE H . . 4.840 4.509 4.248 4.837 . 0 0 "[ . 1 . 2]" 1
240 1 39 LEU MD2 1 44 LEU H . . 5.030 4.314 3.894 4.789 . 0 0 "[ . 1 . 2]" 1
241 1 44 LEU H 1 44 LEU MD1 . . 4.910 4.158 4.063 4.218 . 0 0 "[ . 1 . 2]" 1
242 1 44 LEU H 1 44 LEU HB2 . . 3.420 2.629 2.589 2.677 . 0 0 "[ . 1 . 2]" 1
243 1 44 LEU H 1 44 LEU HB3 . . 3.390 2.446 2.363 2.509 . 0 0 "[ . 1 . 2]" 1
244 1 43 SER HB3 1 44 LEU H . . 4.240 2.934 2.165 3.955 . 0 0 "[ . 1 . 2]" 1
245 1 44 LEU H 1 47 ILE H . . 4.920 4.836 4.726 4.914 . 0 0 "[ . 1 . 2]" 1
246 1 42 TYR H 1 43 SER H . . 3.500 2.861 2.595 3.124 . 0 0 "[ . 1 . 2]" 1
247 1 43 SER H 1 44 LEU H . . 3.500 2.880 2.653 3.037 . 0 0 "[ . 1 . 2]" 1
248 1 42 TYR QB 1 43 SER H . . 3.360 2.428 2.126 2.679 . 0 0 "[ . 1 . 2]" 1
249 1 41 LEU H 1 41 LEU HB3 . . 3.140 2.523 2.300 3.019 . 0 0 "[ . 1 . 2]" 1
250 1 40 ASP H 1 41 LEU H . . 4.910 3.894 3.541 4.365 . 0 0 "[ . 1 . 2]" 1
251 1 39 LEU HG 1 40 ASP H . . 4.560 3.287 2.687 3.736 . 0 0 "[ . 1 . 2]" 1
252 1 39 LEU H 1 39 LEU HB3 . . 3.460 2.656 2.586 2.697 . 0 0 "[ . 1 . 2]" 1
253 1 38 ILE HG13 1 39 LEU H . . 3.970 2.215 2.015 2.422 . 0 0 "[ . 1 . 2]" 1
254 1 39 LEU H 1 39 LEU HB2 . . 3.460 2.530 2.376 2.630 . 0 0 "[ . 1 . 2]" 1
255 1 33 ASN HA 1 39 LEU H . . 3.800 3.470 3.090 3.793 . 0 0 "[ . 1 . 2]" 1
256 1 38 ILE H 1 39 LEU H . . 4.890 4.620 4.599 4.641 . 0 0 "[ . 1 . 2]" 1
257 1 34 VAL H 1 39 LEU H . . 4.670 3.778 3.449 4.121 . 0 0 "[ . 1 . 2]" 1
258 1 37 LYS QG 1 38 ILE H . . 3.760 2.601 1.888 3.752 . 0 0 "[ . 1 . 2]" 1
259 1 37 LYS HB2 1 38 ILE H . . 4.090 3.743 2.462 4.100 0.010 15 0 "[ . 1 . 2]" 1
260 1 37 LYS H 1 38 ILE H . . 4.600 4.330 4.278 4.393 . 0 0 "[ . 1 . 2]" 1
261 1 36 ARG QG 1 37 LYS H . . 3.890 3.808 3.683 3.908 0.018 19 0 "[ . 1 . 2]" 1
262 1 37 LYS H 1 37 LYS QG . . 4.310 3.821 2.387 4.330 0.020 15 0 "[ . 1 . 2]" 1
263 1 37 LYS H 1 37 LYS HB3 . . 3.930 3.291 3.003 3.832 . 0 0 "[ . 1 . 2]" 1
264 1 37 LYS H 1 37 LYS HB2 . . 3.930 3.352 2.810 3.964 0.034 10 0 "[ . 1 . 2]" 1
265 1 33 ASN HB3 1 37 LYS H . . 3.770 3.682 3.559 3.779 0.009 9 0 "[ . 1 . 2]" 1
266 1 33 ASN HB2 1 37 LYS H . . 5.130 5.040 4.870 5.131 0.001 6 0 "[ . 1 . 2]" 1
267 1 33 ASN HA 1 37 LYS H . . 4.560 4.346 4.181 4.499 . 0 0 "[ . 1 . 2]" 1
268 1 36 ARG H 1 37 LYS H . . 3.560 2.901 2.815 3.023 . 0 0 "[ . 1 . 2]" 1
269 1 34 VAL H 1 37 LYS H . . 3.640 3.435 3.169 3.635 . 0 0 "[ . 1 . 2]" 1
270 1 36 ARG H 1 36 ARG QG . . 3.680 3.337 2.912 3.517 . 0 0 "[ . 1 . 2]" 1
271 1 34 VAL HA 1 36 ARG H . . 4.840 3.930 3.729 4.066 . 0 0 "[ . 1 . 2]" 1
272 1 35 GLU H 1 36 ARG H . . 4.600 2.873 2.716 3.070 . 0 0 "[ . 1 . 2]" 1
273 1 34 VAL H 1 34 VAL HB . . 3.780 2.596 2.467 2.751 . 0 0 "[ . 1 . 2]" 1
274 1 33 ASN HB2 1 34 VAL H . . 4.370 4.248 4.088 4.370 0.000 5 0 "[ . 1 . 2]" 1
275 1 32 PRO HB3 1 33 ASN H . . 3.830 3.624 3.372 3.812 . 0 0 "[ . 1 . 2]" 1
276 1 32 PRO HB2 1 33 ASN H . . 3.830 2.921 2.449 3.242 . 0 0 "[ . 1 . 2]" 1
277 1 33 ASN H 1 33 ASN HB2 . . 3.470 2.644 2.523 2.724 . 0 0 "[ . 1 . 2]" 1
278 1 32 PRO HA 1 33 ASN H . . 2.950 2.295 2.199 2.468 . 0 0 "[ . 1 . 2]" 1
279 1 33 ASN H 1 34 VAL H . . 4.630 4.308 4.119 4.420 . 0 0 "[ . 1 . 2]" 1
280 1 30 LYS HB2 1 31 ILE H . . 4.800 4.065 2.701 4.533 . 0 0 "[ . 1 . 2]" 1
281 1 30 LYS HB3 1 31 ILE H . . 4.800 3.693 2.783 4.326 . 0 0 "[ . 1 . 2]" 1
282 1 31 ILE H 1 31 ILE HB . . 3.380 2.551 2.470 2.681 . 0 0 "[ . 1 . 2]" 1
283 1 29 LEU HG 1 30 LYS H . . 4.010 3.219 2.296 3.782 . 0 0 "[ . 1 . 2]" 1
284 1 29 LEU H 1 30 LYS H . . 4.800 4.428 4.222 4.577 . 0 0 "[ . 1 . 2]" 1
285 1 29 LEU H 1 29 LEU HB2 . . 3.560 2.846 2.521 3.032 . 0 0 "[ . 1 . 2]" 1
286 1 19 ALA MB 1 29 LEU H . . 4.970 4.098 3.679 4.622 . 0 0 "[ . 1 . 2]" 1
287 1 29 LEU H 1 29 LEU HB3 . . 3.500 2.368 2.263 2.529 . 0 0 "[ . 1 . 2]" 1
288 1 22 TRP HB3 1 29 LEU H . . 4.820 4.118 3.648 4.646 . 0 0 "[ . 1 . 2]" 1
289 1 22 TRP HB2 1 29 LEU H . . 4.820 4.200 3.729 4.703 . 0 0 "[ . 1 . 2]" 1
290 1 28 SER H 1 29 LEU H . . 5.190 4.610 4.532 4.649 . 0 0 "[ . 1 . 2]" 1
291 1 28 SER H 1 28 SER HB2 . . 4.010 2.908 2.238 3.618 . 0 0 "[ . 1 . 2]" 1
292 1 25 GLN HB2 1 27 SER H . . 4.230 3.179 2.849 3.842 . 0 0 "[ . 1 . 2]" 1
293 1 25 GLN HB3 1 27 SER H . . 5.320 3.828 3.309 4.872 . 0 0 "[ . 1 . 2]" 1
294 1 25 GLN HB2 1 26 GLY H . . 4.220 2.701 2.498 3.163 . 0 0 "[ . 1 . 2]" 1
295 1 25 GLN HB3 1 26 GLY H . . 4.430 3.661 3.465 3.998 . 0 0 "[ . 1 . 2]" 1
296 1 22 TRP HA 1 26 GLY H . . 4.660 4.336 4.185 4.530 . 0 0 "[ . 1 . 2]" 1
297 1 26 GLY H 1 27 SER H . . 3.220 2.498 1.802 2.941 . 0 0 "[ . 1 . 2]" 1
298 1 24 ILE HB 1 25 GLN H . . 3.530 2.439 2.318 2.564 . 0 0 "[ . 1 . 2]" 1
299 1 25 GLN H 1 25 GLN HB3 . . 3.780 3.593 3.580 3.605 . 0 0 "[ . 1 . 2]" 1
300 1 25 GLN H 1 26 GLY H . . 3.590 2.834 2.714 2.988 . 0 0 "[ . 1 . 2]" 1
301 1 24 ILE H 1 25 GLN H . . 3.570 2.627 2.514 2.746 . 0 0 "[ . 1 . 2]" 1
302 1 23 GLU H 1 25 GLN H . . 4.670 4.569 4.379 4.667 . 0 0 "[ . 1 . 2]" 1
303 1 24 ILE HB 1 25 GLN HE21 . . 4.580 2.884 2.468 3.828 . 0 0 "[ . 1 . 2]" 1
304 1 24 ILE H 1 24 ILE MD . . 3.620 3.544 3.340 3.616 . 0 0 "[ . 1 . 2]" 1
305 1 24 ILE H 1 24 ILE HG13 . . 3.750 2.334 2.158 2.431 . 0 0 "[ . 1 . 2]" 1
306 1 23 GLU H 1 24 ILE H . . 3.460 2.918 2.836 3.014 . 0 0 "[ . 1 . 2]" 1
307 1 23 GLU H 1 23 GLU QB . . 3.100 2.347 2.245 2.494 . 0 0 "[ . 1 . 2]" 1
308 1 22 TRP HB3 1 23 GLU H . . 4.370 3.071 2.849 3.229 . 0 0 "[ . 1 . 2]" 1
309 1 22 TRP H 1 23 GLU H . . 3.540 2.771 2.635 2.935 . 0 0 "[ . 1 . 2]" 1
310 1 21 PHE H 1 24 ILE MD . . 4.760 4.518 4.123 4.726 . 0 0 "[ . 1 . 2]" 1
311 1 21 PHE H 1 21 PHE HB2 . . 3.320 3.007 2.887 3.099 . 0 0 "[ . 1 . 2]" 1
312 1 18 ILE HA 1 21 PHE H . . 3.820 3.725 3.543 3.818 . 0 0 "[ . 1 . 2]" 1
313 1 21 PHE H 1 93 TYR QE . . 5.500 5.248 4.645 5.455 . 0 0 "[ . 1 . 2]" 1
314 1 20 LYS H 1 21 PHE H . . 3.330 2.765 2.526 2.940 . 0 0 "[ . 1 . 2]" 1
315 1 22 TRP HE1 1 89 ILE MG . . 3.350 2.098 1.728 2.518 . 0 0 "[ . 1 . 2]" 1
316 1 18 ILE HB 1 22 TRP HE1 . . 5.490 5.241 5.023 5.492 0.002 15 0 "[ . 1 . 2]" 1
317 1 22 TRP HE1 1 89 ILE HG12 . . 4.740 4.601 4.240 4.742 0.002 15 0 "[ . 1 . 2]" 1
318 1 20 LYS H 1 20 LYS QB . . 3.090 2.219 2.120 2.266 . 0 0 "[ . 1 . 2]" 1
319 1 47 ILE HB 1 48 VAL H . . 3.420 2.415 2.003 2.930 . 0 0 "[ . 1 . 2]" 1
320 1 18 ILE HB 1 19 ALA H . . 4.020 3.953 3.814 4.043 0.023 6 0 "[ . 1 . 2]" 1
321 1 19 ALA H 1 20 LYS QB . . 4.450 4.348 4.212 4.466 0.016 6 0 "[ . 1 . 2]" 1
322 1 15 LEU HA 1 19 ALA H . . 4.390 3.848 3.324 4.187 . 0 0 "[ . 1 . 2]" 1
323 1 16 ASP HA 1 19 ALA H . . 4.310 3.832 3.307 4.096 . 0 0 "[ . 1 . 2]" 1
324 1 18 ILE H 1 19 ALA H . . 3.490 2.747 2.415 2.911 . 0 0 "[ . 1 . 2]" 1
325 1 18 ILE H 1 18 ILE HB . . 3.420 2.497 2.371 2.622 . 0 0 "[ . 1 . 2]" 1
326 1 18 ILE H 1 19 ALA MB . . 4.600 4.390 4.126 4.530 . 0 0 "[ . 1 . 2]" 1
327 1 17 GLN QB 1 18 ILE H . . 3.540 2.319 2.083 3.379 . 0 0 "[ . 1 . 2]" 1
328 1 17 GLN HG2 1 18 ILE H . . 5.370 4.340 1.984 4.829 . 0 0 "[ . 1 . 2]" 1
329 1 17 GLN HG3 1 18 ILE H . . 5.370 4.340 2.388 4.735 . 0 0 "[ . 1 . 2]" 1
330 1 17 GLN H 1 18 ILE H . . 3.240 2.788 2.486 2.944 . 0 0 "[ . 1 . 2]" 1
331 1 17 GLN H 1 17 GLN QB . . 3.240 2.252 2.164 2.376 . 0 0 "[ . 1 . 2]" 1
332 1 14 TYR HA 1 17 GLN H . . 4.340 3.787 3.606 3.959 . 0 0 "[ . 1 . 2]" 1
333 1 15 LEU H 1 15 LEU HB2 . . 3.770 2.484 2.313 2.658 . 0 0 "[ . 1 . 2]" 1
334 1 15 LEU H 1 15 LEU HG . . 3.340 2.301 1.937 2.726 . 0 0 "[ . 1 . 2]" 1
335 1 15 LEU H 1 16 ASP H . . 3.620 2.701 2.390 2.997 . 0 0 "[ . 1 . 2]" 1
336 1 13 ASN HB3 1 14 TYR H . . 4.210 2.395 1.995 2.897 . 0 0 "[ . 1 . 2]" 1
337 1 14 TYR H 1 14 TYR HB2 . . 3.880 2.403 2.296 2.656 . 0 0 "[ . 1 . 2]" 1
338 1 14 TYR H 1 15 LEU H . . 4.140 2.775 2.403 3.078 . 0 0 "[ . 1 . 2]" 1
339 1 13 ASN H 1 14 TYR H . . 4.340 3.028 2.653 3.269 . 0 0 "[ . 1 . 2]" 1
340 1 12 LEU MD1 1 13 ASN H . . 5.020 4.211 3.895 4.561 . 0 0 "[ . 1 . 2]" 1
341 1 12 LEU MD2 1 13 ASN H . . 5.500 4.665 4.589 4.729 . 0 0 "[ . 1 . 2]" 1
342 1 12 LEU HB3 1 13 ASN H . . 4.360 3.539 3.284 3.906 . 0 0 "[ . 1 . 2]" 1
343 1 12 LEU HB2 1 13 ASN H . . 4.360 2.434 2.116 2.749 . 0 0 "[ . 1 . 2]" 1
344 1 13 ASN H 1 13 ASN HB2 . . 3.680 2.432 2.261 2.707 . 0 0 "[ . 1 . 2]" 1
345 1 10 VAL HA 1 13 ASN H . . 4.800 3.011 2.721 3.216 . 0 0 "[ . 1 . 2]" 1
346 1 12 LEU H 1 13 ASN H . . 3.770 2.524 2.260 2.760 . 0 0 "[ . 1 . 2]" 1
347 1 10 VAL HA 1 13 ASN HD21 . . 4.740 4.227 3.385 4.696 . 0 0 "[ . 1 . 2]" 1
348 1 12 LEU H 1 12 LEU HB3 . . 3.700 3.607 3.549 3.653 . 0 0 "[ . 1 . 2]" 1
349 1 12 LEU H 1 12 LEU HB2 . . 3.700 2.496 2.269 2.631 . 0 0 "[ . 1 . 2]" 1
350 1 12 LEU H 1 12 LEU HG . . 3.320 2.350 2.091 2.869 . 0 0 "[ . 1 . 2]" 1
351 1 11 LYS H 1 11 LYS HB2 . . 3.960 2.345 2.162 2.525 . 0 0 "[ . 1 . 2]" 1
352 1 11 LYS H 1 11 LYS QD . . 4.570 3.356 1.888 4.565 . 0 0 "[ . 1 . 2]" 1
353 1 11 LYS H 1 12 LEU H . . 3.960 2.905 2.823 2.962 . 0 0 "[ . 1 . 2]" 1
354 1 9 ARG QG 1 10 VAL H . . 4.670 3.801 3.015 4.202 . 0 0 "[ . 1 . 2]" 1
355 1 10 VAL H 1 10 VAL HB . . 3.500 2.519 2.487 2.589 . 0 0 "[ . 1 . 2]" 1
356 1 10 VAL H 1 11 LYS H . . 4.480 2.493 2.303 2.854 . 0 0 "[ . 1 . 2]" 1
357 1 63 TRP HE1 1 83 ARG HD2 . . 4.250 2.211 1.895 4.281 0.031 13 0 "[ . 1 . 2]" 1
358 1 58 CYS H 1 63 TRP HE1 . . 4.960 4.911 4.795 4.972 0.012 14 0 "[ . 1 . 2]" 1
359 1 41 LEU HG 1 42 TYR H . . 4.150 2.386 1.961 2.802 . 0 0 "[ . 1 . 2]" 1
360 1 41 LEU HB2 1 42 TYR H . . 4.170 3.959 3.693 4.122 . 0 0 "[ . 1 . 2]" 1
361 1 41 LEU HB3 1 42 TYR H . . 4.130 4.046 3.869 4.163 0.033 19 0 "[ . 1 . 2]" 1
362 1 42 TYR H 1 42 TYR QB . . 3.130 2.164 2.131 2.252 . 0 0 "[ . 1 . 2]" 1
363 1 42 TYR H 1 42 TYR QD . . 4.160 4.057 3.949 4.198 0.038 11 0 "[ . 1 . 2]" 1
364 1 41 LEU H 1 42 TYR H . . 3.880 2.636 2.135 2.879 . 0 0 "[ . 1 . 2]" 1
365 1 99 GLY H 1 100 ALA H . . 3.670 3.081 2.240 3.614 . 0 0 "[ . 1 . 2]" 1
366 1 97 GLN HB3 1 98 SER H . . 4.570 4.074 3.211 4.452 . 0 0 "[ . 1 . 2]" 1
367 1 97 GLN HB2 1 98 SER H . . 4.570 3.912 2.483 4.590 0.020 6 0 "[ . 1 . 2]" 1
368 1 84 SER H 1 86 TYR H . . 4.830 3.995 3.783 4.350 . 0 0 "[ . 1 . 2]" 1
369 1 78 ILE H 1 79 GLY H . . 4.300 2.518 2.254 2.945 . 0 0 "[ . 1 . 2]" 1
370 1 78 ILE H 1 78 ILE MG . . 4.030 3.775 3.761 3.812 . 0 0 "[ . 1 . 2]" 1
371 1 78 ILE H 1 78 ILE HG13 . . 3.940 2.352 1.915 2.578 . 0 0 "[ . 1 . 2]" 1
372 1 78 ILE H 1 78 ILE HG12 . . 3.940 3.658 3.265 3.827 . 0 0 "[ . 1 . 2]" 1
373 1 54 TYR H 1 54 TYR HB3 . . 3.480 2.276 2.254 2.313 . 0 0 "[ . 1 . 2]" 1
374 1 54 TYR H 1 54 TYR HB2 . . 3.480 2.980 2.884 3.018 . 0 0 "[ . 1 . 2]" 1
375 1 22 TRP H 1 22 TRP HB2 . . 3.710 2.280 2.231 2.361 . 0 0 "[ . 1 . 2]" 1
376 1 17 GLN HA 1 20 LYS H . . 4.220 3.616 3.317 3.983 . 0 0 "[ . 1 . 2]" 1
377 1 15 LEU H 1 17 GLN H . . 4.110 3.870 3.627 4.067 . 0 0 "[ . 1 . 2]" 1
378 1 86 TYR HA 1 91 TYR H . . 4.830 4.458 4.074 4.745 . 0 0 "[ . 1 . 2]" 1
379 1 82 LEU HG 1 83 ARG H . . 4.970 3.945 3.833 4.048 . 0 0 "[ . 1 . 2]" 1
380 1 66 VAL HA 1 70 LEU H . . 5.320 5.108 4.413 5.320 0.000 7 0 "[ . 1 . 2]" 1
381 1 62 ARG H 1 63 TRP HD1 . . 5.230 4.814 4.567 5.061 . 0 0 "[ . 1 . 2]" 1
382 1 40 ASP HB2 1 41 LEU H . . 4.810 4.624 4.406 4.662 . 0 0 "[ . 1 . 2]" 1
383 1 29 LEU HB3 1 30 LYS H . . 4.950 4.287 3.832 4.508 . 0 0 "[ . 1 . 2]" 1
384 1 15 LEU H 1 16 ASP HB2 . . 5.500 4.740 4.395 5.012 . 0 0 "[ . 1 . 2]" 1
385 1 56 ALA MB 1 58 CYS H . . 4.800 4.115 4.029 4.261 . 0 0 "[ . 1 . 2]" 1
386 1 22 TRP H 1 29 LEU HB2 . . 4.850 4.663 4.449 4.824 . 0 0 "[ . 1 . 2]" 1
387 1 18 ILE H 1 20 LYS H . . 5.140 4.447 4.129 4.680 . 0 0 "[ . 1 . 2]" 1
388 1 48 VAL H 1 50 GLU H . . 5.500 4.257 3.943 4.635 . 0 0 "[ . 1 . 2]" 1
389 1 33 ASN HA 1 34 VAL H . . 3.070 2.147 2.140 2.171 . 0 0 "[ . 1 . 2]" 1
390 1 46 LYS HB2 1 47 ILE H . . 3.890 2.512 2.199 2.721 . 0 0 "[ . 1 . 2]" 1
391 1 47 ILE H 1 48 VAL HB . . 5.500 4.972 4.752 5.284 . 0 0 "[ . 1 . 2]" 1
392 1 72 TYR H 1 73 PRO HD2 . . 4.850 4.789 4.756 4.826 . 0 0 "[ . 1 . 2]" 1
393 1 80 SER H 1 82 LEU H . . 4.710 4.383 4.265 4.480 . 0 0 "[ . 1 . 2]" 1
394 1 93 TYR H 1 94 GLU HB2 . . 4.950 4.662 4.533 4.839 . 0 0 "[ . 1 . 2]" 1
395 1 100 ALA H 1 100 ALA MB . . 3.450 2.265 2.035 2.512 . 0 0 "[ . 1 . 2]" 1
396 1 98 SER H 1 98 SER HB2 . . 4.040 2.736 2.204 3.815 . 0 0 "[ . 1 . 2]" 1
397 1 96 PHE QD 1 97 GLN HA . . 4.340 3.335 2.660 4.340 . 0 0 "[ . 1 . 2]" 1
398 1 96 PHE HA 1 97 GLN HA . . 5.350 4.675 4.551 4.879 . 0 0 "[ . 1 . 2]" 1
399 1 97 GLN HA 1 98 SER HA . . 5.500 4.574 4.370 4.834 . 0 0 "[ . 1 . 2]" 1
400 1 97 GLN H 1 97 GLN HB2 . . 3.830 2.397 2.223 3.589 . 0 0 "[ . 1 . 2]" 1
401 1 97 GLN H 1 97 GLN HB3 . . 3.830 3.451 2.481 3.664 . 0 0 "[ . 1 . 2]" 1
402 1 97 GLN H 1 97 GLN QG . . 3.800 2.866 2.305 3.859 0.059 14 0 "[ . 1 . 2]" 1
403 1 97 GLN HA 1 97 GLN QG . . 3.830 2.582 2.146 3.335 . 0 0 "[ . 1 . 2]" 1
404 1 96 PHE HA 1 96 PHE QD . . 3.500 2.880 2.394 3.138 . 0 0 "[ . 1 . 2]" 1
405 1 21 PHE QE 1 96 PHE HB3 . . 4.460 3.871 3.475 4.257 . 0 0 "[ . 1 . 2]" 1
406 1 21 PHE QE 1 96 PHE HB2 . . 4.460 3.389 2.984 3.772 . 0 0 "[ . 1 . 2]" 1
407 1 95 MET HA 1 98 SER HB3 . . 4.100 3.474 2.629 4.065 . 0 0 "[ . 1 . 2]" 1
408 1 94 GLU HA 1 97 GLN H . . 4.310 3.625 3.366 4.126 . 0 0 "[ . 1 . 2]" 1
409 1 93 TYR QD 1 94 GLU HA . . 4.260 3.899 3.477 4.173 . 0 0 "[ . 1 . 2]" 1
410 1 90 ILE MG 1 94 GLU HG2 . . 3.680 2.308 1.891 3.354 . 0 0 "[ . 1 . 2]" 1
411 1 93 TYR QD 1 94 GLU HG2 . . 4.490 2.919 2.520 4.003 . 0 0 "[ . 1 . 2]" 1
412 1 94 GLU H 1 94 GLU HG2 . . 3.800 3.033 2.715 3.679 . 0 0 "[ . 1 . 2]" 1
413 1 90 ILE MG 1 94 GLU HG3 . . 3.680 2.086 1.837 2.415 . 0 0 "[ . 1 . 2]" 1
414 1 93 TYR HA 1 96 PHE H . . 4.470 3.962 3.719 4.262 . 0 0 "[ . 1 . 2]" 1
415 1 18 ILE MD 1 93 TYR HB3 . . 4.230 2.532 2.252 2.888 . 0 0 "[ . 1 . 2]" 1
416 1 90 ILE HA 1 93 TYR HB3 . . 4.460 2.330 2.259 2.461 . 0 0 "[ . 1 . 2]" 1
417 1 18 ILE MD 1 93 TYR HB2 . . 4.230 2.471 2.139 2.802 . 0 0 "[ . 1 . 2]" 1
418 1 90 ILE HA 1 93 TYR HB2 . . 4.460 3.815 3.603 4.111 . 0 0 "[ . 1 . 2]" 1
419 1 93 TYR H 1 93 TYR HB2 . . 3.540 2.806 2.669 3.000 . 0 0 "[ . 1 . 2]" 1
420 1 92 PRO HA 1 95 MET H . . 4.170 3.817 3.684 4.039 . 0 0 "[ . 1 . 2]" 1
421 1 21 PHE QE 1 92 PRO HB2 . . 4.500 2.388 1.998 2.807 . 0 0 "[ . 1 . 2]" 1
422 1 21 PHE HZ 1 92 PRO HB2 . . 4.290 2.344 2.003 2.657 . 0 0 "[ . 1 . 2]" 1
423 1 22 TRP HZ2 1 92 PRO HB3 . . 4.970 4.760 4.338 4.971 0.001 6 0 "[ . 1 . 2]" 1
424 1 21 PHE QE 1 92 PRO HB3 . . 4.500 3.999 3.650 4.365 . 0 0 "[ . 1 . 2]" 1
425 1 91 TYR H 1 92 PRO HD2 . . 4.190 1.892 1.876 1.909 . 0 0 "[ . 1 . 2]" 1
426 1 91 TYR H 1 92 PRO HD3 . . 4.190 3.022 2.996 3.057 . 0 0 "[ . 1 . 2]" 1
427 1 90 ILE HA 1 90 ILE HG13 . . 3.710 3.186 3.010 3.278 . 0 0 "[ . 1 . 2]" 1
428 1 90 ILE HA 1 90 ILE HG12 . . 3.710 2.615 2.528 2.736 . 0 0 "[ . 1 . 2]" 1
429 1 90 ILE HA 1 90 ILE MG . . 3.080 2.221 2.145 2.344 . 0 0 "[ . 1 . 2]" 1
430 1 45 SER HA 1 90 ILE MG . . 4.250 4.096 3.850 4.252 0.002 20 0 "[ . 1 . 2]" 1
431 1 14 TYR QE 1 90 ILE MG . . 3.990 3.915 3.710 3.997 0.007 17 0 "[ . 1 . 2]" 1
432 1 86 TYR QD 1 90 ILE MG . . 3.800 3.126 2.923 3.350 . 0 0 "[ . 1 . 2]" 1
433 1 90 ILE H 1 90 ILE MG . . 4.020 3.776 3.764 3.783 . 0 0 "[ . 1 . 2]" 1
434 1 90 ILE MG 1 94 GLU H . . 4.050 3.498 3.275 3.784 . 0 0 "[ . 1 . 2]" 1
435 1 45 SER H 1 90 ILE MD . . 3.910 3.578 3.216 3.785 . 0 0 "[ . 1 . 2]" 1
436 1 90 ILE H 1 90 ILE MD . . 4.100 3.588 3.460 3.688 . 0 0 "[ . 1 . 2]" 1
437 1 86 TYR QD 1 90 ILE MD . . 3.510 2.076 1.869 2.414 . 0 0 "[ . 1 . 2]" 1
438 1 14 TYR QE 1 90 ILE MD . . 4.040 3.686 3.463 4.007 . 0 0 "[ . 1 . 2]" 1
439 1 45 SER HA 1 90 ILE MD . . 4.060 3.692 3.022 4.053 . 0 0 "[ . 1 . 2]" 1
440 1 45 SER HB3 1 90 ILE MD . . 4.400 3.823 2.552 4.398 . 0 0 "[ . 1 . 2]" 1
441 1 90 ILE HA 1 90 ILE MD . . 4.730 3.856 3.810 3.927 . 0 0 "[ . 1 . 2]" 1
442 1 41 LEU HA 1 90 ILE MD . . 3.960 3.603 3.395 3.963 0.003 15 0 "[ . 1 . 2]" 1
443 1 86 TYR HA 1 90 ILE MD . . 3.550 2.177 1.966 2.374 . 0 0 "[ . 1 . 2]" 1
444 1 86 TYR HB2 1 90 ILE MD . . 4.440 2.635 2.064 3.068 . 0 0 "[ . 1 . 2]" 1
445 1 44 LEU HB3 1 90 ILE MD . . 3.790 3.696 3.459 3.791 0.001 4 0 "[ . 1 . 2]" 1
446 1 22 TRP HE1 1 89 ILE HA . . 4.290 4.030 3.606 4.292 0.002 3 0 "[ . 1 . 2]" 1
447 1 89 ILE HB 1 90 ILE HG12 . . 4.570 3.938 3.764 4.318 . 0 0 "[ . 1 . 2]" 1
448 1 89 ILE HB 1 90 ILE MD . . 4.620 4.405 4.186 4.632 0.012 19 0 "[ . 1 . 2]" 1
449 1 89 ILE H 1 89 ILE MD . . 3.800 3.712 3.545 3.808 0.008 15 0 "[ . 1 . 2]" 1
450 1 32 PRO HD3 1 89 ILE MD . . 3.280 2.797 2.517 3.178 . 0 0 "[ . 1 . 2]" 1
451 1 85 HIS HB3 1 89 ILE MD . . 4.340 3.519 2.570 4.342 0.002 9 0 "[ . 1 . 2]" 1
452 1 88 ARG HB2 1 88 ARG QD . . 3.860 2.661 2.117 3.502 . 0 0 "[ . 1 . 2]" 1
453 1 88 ARG HB3 1 88 ARG QD . . 3.860 2.712 2.091 3.438 . 0 0 "[ . 1 . 2]" 1
454 1 88 ARG HA 1 88 ARG HG2 . . 3.870 3.080 2.185 3.865 . 0 0 "[ . 1 . 2]" 1
455 1 88 ARG HA 1 88 ARG HG3 . . 3.870 2.877 2.325 3.655 . 0 0 "[ . 1 . 2]" 1
456 1 88 ARG HA 1 88 ARG QD . . 4.130 3.092 2.110 4.130 0.000 16 0 "[ . 1 . 2]" 1
457 1 87 GLU HA 1 87 GLU HG3 . . 4.080 3.367 2.500 3.715 . 0 0 "[ . 1 . 2]" 1
458 1 87 GLU HA 1 91 TYR HB3 . . 3.820 3.142 2.651 3.268 . 0 0 "[ . 1 . 2]" 1
459 1 87 GLU HA 1 88 ARG HA . . 4.750 4.635 4.562 4.685 . 0 0 "[ . 1 . 2]" 1
460 1 86 TYR QD 1 87 GLU HA . . 3.800 2.569 2.358 3.000 . 0 0 "[ . 1 . 2]" 1
461 1 87 GLU HA 1 91 TYR H . . 4.090 3.513 3.352 3.689 . 0 0 "[ . 1 . 2]" 1
462 1 87 GLU H 1 87 GLU HB3 . . 3.830 3.543 3.478 3.600 . 0 0 "[ . 1 . 2]" 1
463 1 87 GLU HB3 1 88 ARG H . . 4.220 4.017 3.880 4.184 . 0 0 "[ . 1 . 2]" 1
464 1 87 GLU HA 1 87 GLU HG2 . . 4.080 2.496 2.177 3.700 . 0 0 "[ . 1 . 2]" 1
465 1 87 GLU H 1 87 GLU HG3 . . 4.010 3.190 2.237 4.007 . 0 0 "[ . 1 . 2]" 1
466 1 44 LEU MD2 1 86 TYR HA . . 3.680 3.608 3.443 3.689 0.009 17 0 "[ . 1 . 2]" 1
467 1 86 TYR HA 1 90 ILE HB . . 3.610 2.156 1.998 2.379 . 0 0 "[ . 1 . 2]" 1
468 1 86 TYR HA 1 90 ILE MG . . 3.910 3.618 3.496 3.839 . 0 0 "[ . 1 . 2]" 1
469 1 86 TYR HA 1 86 TYR QD . . 3.970 3.194 3.121 3.247 . 0 0 "[ . 1 . 2]" 1
470 1 86 TYR HA 1 90 ILE H . . 3.870 2.619 2.359 2.830 . 0 0 "[ . 1 . 2]" 1
471 1 44 LEU MD2 1 86 TYR HB2 . . 3.850 2.561 2.237 2.814 . 0 0 "[ . 1 . 2]" 1
472 1 32 PRO QG 1 85 HIS HB3 . . 4.610 3.653 3.374 4.369 . 0 0 "[ . 1 . 2]" 1
473 1 39 LEU MD2 1 85 HIS HB3 . . 5.140 4.394 3.980 4.603 . 0 0 "[ . 1 . 2]" 1
474 1 39 LEU MD1 1 85 HIS HD2 . . 3.770 2.085 1.866 2.352 . 0 0 "[ . 1 . 2]" 1
475 1 81 LEU MD2 1 85 HIS HD2 . . 3.260 2.003 1.840 2.159 . 0 0 "[ . 1 . 2]" 1
476 1 32 PRO QG 1 85 HIS HD2 . . 4.190 3.030 2.664 3.571 . 0 0 "[ . 1 . 2]" 1
477 1 82 LEU HA 1 85 HIS HD2 . . 3.940 3.834 3.576 3.942 0.002 13 0 "[ . 1 . 2]" 1
478 1 84 SER H 1 84 SER QB . . 3.180 2.316 2.161 2.540 . 0 0 "[ . 1 . 2]" 1
479 1 84 SER QB 1 85 HIS H . . 3.510 2.117 1.906 3.050 . 0 0 "[ . 1 . 2]" 1
480 1 83 ARG HA 1 83 ARG HG2 . . 3.920 2.896 2.513 3.048 . 0 0 "[ . 1 . 2]" 1
481 1 83 ARG HA 1 83 ARG HG3 . . 3.920 2.381 2.290 2.641 . 0 0 "[ . 1 . 2]" 1
482 1 83 ARG HA 1 83 ARG HD3 . . 4.520 4.350 4.150 4.647 0.127 14 0 "[ . 1 . 2]" 1
483 1 83 ARG HA 1 86 TYR HB2 . . 4.160 3.664 3.256 3.933 . 0 0 "[ . 1 . 2]" 1
484 1 83 ARG HA 1 86 TYR HB3 . . 3.830 2.911 2.626 3.103 . 0 0 "[ . 1 . 2]" 1
485 1 63 TRP HZ2 1 83 ARG HA . . 4.410 3.508 2.788 4.289 . 0 0 "[ . 1 . 2]" 1
486 1 83 ARG HB3 1 83 ARG HD2 . . 3.980 3.510 2.175 3.848 . 0 0 "[ . 1 . 2]" 1
487 1 83 ARG HB2 1 83 ARG HD2 . . 3.930 3.168 2.581 3.514 . 0 0 "[ . 1 . 2]" 1
488 1 63 TRP HD1 1 83 ARG HD2 . . 4.490 3.583 2.689 4.508 0.018 13 0 "[ . 1 . 2]" 1
489 1 63 TRP HE1 1 83 ARG HD3 . . 4.250 2.986 2.124 3.872 . 0 0 "[ . 1 . 2]" 1
490 1 63 TRP HD1 1 83 ARG HD3 . . 4.490 3.724 2.944 4.494 0.004 19 0 "[ . 1 . 2]" 1
491 1 83 ARG HB2 1 83 ARG HD3 . . 3.930 2.549 2.198 3.872 . 0 0 "[ . 1 . 2]" 1
492 1 83 ARG HB3 1 83 ARG HD3 . . 3.980 2.762 2.275 3.514 . 0 0 "[ . 1 . 2]" 1
493 1 82 LEU HA 1 85 HIS HB2 . . 4.070 2.805 2.707 2.863 . 0 0 "[ . 1 . 2]" 1
494 1 82 LEU HA 1 85 HIS HB3 . . 4.330 4.328 4.296 4.342 0.012 19 0 "[ . 1 . 2]" 1
495 1 82 LEU HB2 1 83 ARG HB2 . . 3.870 3.884 3.872 3.909 0.039 19 0 "[ . 1 . 2]" 1
496 1 82 LEU HB3 1 83 ARG H . . 4.370 3.274 3.211 3.313 . 0 0 "[ . 1 . 2]" 1
497 1 78 ILE MG 1 82 LEU MD1 . . 3.500 2.113 1.911 2.352 . 0 0 "[ . 1 . 2]" 1
498 1 66 VAL HB 1 82 LEU MD1 . . 4.220 3.792 3.430 4.224 0.004 14 0 "[ . 1 . 2]" 1
499 1 79 GLY HA3 1 82 LEU MD1 . . 4.340 3.792 3.539 4.029 . 0 0 "[ . 1 . 2]" 1
500 1 67 ALA H 1 82 LEU MD1 . . 4.180 3.595 3.263 3.946 . 0 0 "[ . 1 . 2]" 1
501 1 82 LEU H 1 82 LEU MD2 . . 3.850 3.084 2.710 3.345 . 0 0 "[ . 1 . 2]" 1
502 1 72 TYR QD 1 82 LEU MD2 . . 4.320 3.722 3.326 4.245 . 0 0 "[ . 1 . 2]" 1
503 1 82 LEU HA 1 82 LEU MD2 . . 2.880 2.253 2.095 2.595 . 0 0 "[ . 1 . 2]" 1
504 1 80 SER QB 1 81 LEU HA . . 3.980 3.824 3.751 3.948 . 0 0 "[ . 1 . 2]" 1
505 1 78 ILE MG 1 81 LEU HB2 . . 4.500 4.163 3.652 4.437 . 0 0 "[ . 1 . 2]" 1
506 1 78 ILE HA 1 81 LEU HB2 . . 3.790 3.092 2.914 3.287 . 0 0 "[ . 1 . 2]" 1
507 1 81 LEU HB2 1 82 LEU H . . 3.870 3.609 3.505 3.724 . 0 0 "[ . 1 . 2]" 1
508 1 78 ILE HA 1 81 LEU HB3 . . 3.790 2.964 2.672 3.304 . 0 0 "[ . 1 . 2]" 1
509 1 81 LEU H 1 81 LEU HB3 . . 3.530 2.786 2.617 2.898 . 0 0 "[ . 1 . 2]" 1
510 1 81 LEU HB3 1 82 LEU H . . 3.870 2.328 2.214 2.442 . 0 0 "[ . 1 . 2]" 1
511 1 78 ILE HA 1 81 LEU HG . . 5.480 5.389 5.179 5.484 0.004 13 0 "[ . 1 . 2]" 1
512 1 81 LEU HG 1 85 HIS HD2 . . 4.510 4.357 4.097 4.511 0.001 6 0 "[ . 1 . 2]" 1
513 1 81 LEU H 1 81 LEU HG . . 4.410 4.295 4.216 4.411 0.001 9 0 "[ . 1 . 2]" 1
514 1 81 LEU HA 1 81 LEU HG . . 4.230 2.430 2.374 2.503 . 0 0 "[ . 1 . 2]" 1
515 1 78 ILE HA 1 81 LEU MD1 . . 4.100 3.482 3.190 3.663 . 0 0 "[ . 1 . 2]" 1
516 1 81 LEU HA 1 81 LEU MD1 . . 3.770 3.694 3.660 3.775 0.005 11 0 "[ . 1 . 2]" 1
517 1 81 LEU MD1 1 85 HIS HD2 . . 4.590 4.157 3.831 4.378 . 0 0 "[ . 1 . 2]" 1
518 1 81 LEU H 1 81 LEU MD1 . . 4.390 4.098 4.030 4.191 . 0 0 "[ . 1 . 2]" 1
519 1 34 VAL MG1 1 81 LEU MD1 . . 3.440 2.487 1.947 3.107 . 0 0 "[ . 1 . 2]" 1
520 1 34 VAL MG1 1 81 LEU MD2 . . 3.740 3.200 2.652 3.624 . 0 0 "[ . 1 . 2]" 1
521 1 81 LEU HA 1 81 LEU MD2 . . 3.220 3.055 2.903 3.213 . 0 0 "[ . 1 . 2]" 1
522 1 80 SER HA 1 83 ARG HB3 . . 4.010 3.318 3.182 3.505 . 0 0 "[ . 1 . 2]" 1
523 1 80 SER HA 1 83 ARG HB2 . . 3.700 3.359 3.217 3.493 . 0 0 "[ . 1 . 2]" 1
524 1 80 SER HA 1 83 ARG H . . 4.040 3.855 3.743 3.978 . 0 0 "[ . 1 . 2]" 1
525 1 63 TRP HB3 1 79 GLY HA3 . . 4.140 3.020 2.419 3.506 . 0 0 "[ . 1 . 2]" 1
526 1 79 GLY HA2 1 82 LEU MD1 . . 4.130 2.246 2.024 2.555 . 0 0 "[ . 1 . 2]" 1
527 1 79 GLY HA2 1 82 LEU HB2 . . 4.390 3.352 3.122 3.450 . 0 0 "[ . 1 . 2]" 1
528 1 63 TRP HB3 1 79 GLY HA2 . . 4.240 2.832 2.309 3.262 . 0 0 "[ . 1 . 2]" 1
529 1 63 TRP HE3 1 79 GLY HA2 . . 4.930 4.353 3.894 4.935 0.005 13 0 "[ . 1 . 2]" 1
530 1 78 ILE H 1 78 ILE HB . . 3.480 2.508 2.452 2.625 . 0 0 "[ . 1 . 2]" 1
531 1 78 ILE HB 1 78 ILE MD . . 3.500 2.322 2.196 2.399 . 0 0 "[ . 1 . 2]" 1
532 1 78 ILE HA 1 78 ILE HG12 . . 3.800 2.588 2.442 2.714 . 0 0 "[ . 1 . 2]" 1
533 1 78 ILE HA 1 78 ILE HG13 . . 3.800 2.918 2.776 3.059 . 0 0 "[ . 1 . 2]" 1
534 1 78 ILE MG 1 82 LEU H . . 4.220 3.304 3.094 3.523 . 0 0 "[ . 1 . 2]" 1
535 1 72 TYR QD 1 78 ILE MG . . 3.680 3.118 2.782 3.334 . 0 0 "[ . 1 . 2]" 1
536 1 78 ILE HA 1 78 ILE MG . . 3.330 2.400 2.255 2.476 . 0 0 "[ . 1 . 2]" 1
537 1 72 TYR HB3 1 78 ILE MG . . 3.740 3.251 2.943 3.624 . 0 0 "[ . 1 . 2]" 1
538 1 72 TYR HB2 1 78 ILE MG . . 4.100 3.847 3.545 4.103 0.003 14 0 "[ . 1 . 2]" 1
539 1 78 ILE MG 1 82 LEU HB3 . . 4.690 4.534 4.238 4.686 . 0 0 "[ . 1 . 2]" 1
540 1 78 ILE MG 1 82 LEU HG . . 3.280 2.120 1.922 2.379 . 0 0 "[ . 1 . 2]" 1
541 1 78 ILE HA 1 81 LEU H . . 3.900 3.430 3.300 3.640 . 0 0 "[ . 1 . 2]" 1
542 1 72 TYR QD 1 78 ILE MD . . 3.620 3.004 2.521 3.321 . 0 0 "[ . 1 . 2]" 1
543 1 72 TYR H 1 78 ILE MD . . 5.420 4.877 4.544 5.023 . 0 0 "[ . 1 . 2]" 1
544 1 73 PRO HD2 1 78 ILE MD . . 3.240 2.073 1.939 2.322 . 0 0 "[ . 1 . 2]" 1
545 1 72 TYR HB3 1 78 ILE MD . . 3.310 1.961 1.803 2.072 . 0 0 "[ . 1 . 2]" 1
546 1 72 TYR QD 1 73 PRO HD3 . . 3.820 2.514 2.353 2.745 . 0 0 "[ . 1 . 2]" 1
547 1 72 TYR HA 1 73 PRO HD3 . . 3.120 2.302 2.266 2.338 . 0 0 "[ . 1 . 2]" 1
548 1 72 TYR HB3 1 73 PRO HD3 . . 3.820 3.643 3.490 3.823 0.003 3 0 "[ . 1 . 2]" 1
549 1 73 PRO HD3 1 78 ILE MD . . 4.020 3.518 3.332 3.721 . 0 0 "[ . 1 . 2]" 1
550 1 72 TYR HB3 1 73 PRO HD2 . . 3.580 2.234 2.049 2.452 . 0 0 "[ . 1 . 2]" 1
551 1 73 PRO HB2 1 74 PRO QD . . 3.710 3.605 3.364 3.714 0.004 2 0 "[ . 1 . 2]" 1
552 1 73 PRO HB3 1 74 PRO QD . . 3.710 3.621 3.443 3.704 . 0 0 "[ . 1 . 2]" 1
553 1 70 LEU HA 1 71 HIS HD2 . . 4.220 3.182 2.415 4.109 . 0 0 "[ . 1 . 2]" 1
554 1 47 ILE MD 1 70 LEU HA . . 4.410 4.160 2.954 4.413 0.003 14 0 "[ . 1 . 2]" 1
555 1 70 LEU HA 1 70 LEU MD1 . . 4.020 2.186 1.961 3.280 . 0 0 "[ . 1 . 2]" 1
556 1 70 LEU H 1 70 LEU HB2 . . 3.690 2.471 2.376 2.563 . 0 0 "[ . 1 . 2]" 1
557 1 70 LEU HB2 1 72 TYR QD . . 4.120 3.782 3.215 4.059 . 0 0 "[ . 1 . 2]" 1
558 1 70 LEU HB3 1 72 TYR QE . . 4.050 3.000 2.782 3.180 . 0 0 "[ . 1 . 2]" 1
559 1 70 LEU H 1 70 LEU HG . . 4.900 4.563 4.540 4.598 . 0 0 "[ . 1 . 2]" 1
560 1 70 LEU HG 1 72 TYR QD . . 5.310 4.686 3.777 4.959 . 0 0 "[ . 1 . 2]" 1
561 1 44 LEU H 1 70 LEU MD1 . . 4.330 3.987 3.595 4.345 0.015 17 0 "[ . 1 . 2]" 1
562 1 44 LEU H 1 70 LEU MD2 . . 4.330 3.864 2.728 4.328 . 0 0 "[ . 1 . 2]" 1
563 1 70 LEU H 1 70 LEU MD2 . . 4.340 4.252 3.857 4.338 . 0 0 "[ . 1 . 2]" 1
564 1 70 LEU HA 1 70 LEU MD2 . . 4.020 3.652 1.867 3.869 . 0 0 "[ . 1 . 2]" 1
565 1 40 ASP HB2 1 70 LEU MD2 . . 4.510 3.228 2.268 4.026 . 0 0 "[ . 1 . 2]" 1
566 1 40 ASP HB3 1 70 LEU MD2 . . 4.510 2.519 1.951 3.136 . 0 0 "[ . 1 . 2]" 1
567 1 69 ARG HA 1 69 ARG HD2 . . 4.450 3.655 2.198 4.359 . 0 0 "[ . 1 . 2]" 1
568 1 69 ARG HA 1 69 ARG HD3 . . 4.450 3.035 2.260 4.001 . 0 0 "[ . 1 . 2]" 1
569 1 47 ILE MG 1 69 ARG QB . . 3.740 3.321 2.774 3.577 . 0 0 "[ . 1 . 2]" 1
570 1 47 ILE MD 1 69 ARG QB . . 3.920 2.612 2.179 3.048 . 0 0 "[ . 1 . 2]" 1
571 1 69 ARG H 1 69 ARG HG2 . . 3.970 2.741 2.031 3.978 0.008 14 0 "[ . 1 . 2]" 1
572 1 69 ARG HA 1 69 ARG HG2 . . 4.020 2.598 2.236 3.617 . 0 0 "[ . 1 . 2]" 1
573 1 69 ARG H 1 69 ARG HG3 . . 3.970 3.507 2.775 3.849 . 0 0 "[ . 1 . 2]" 1
574 1 69 ARG HA 1 69 ARG HG3 . . 4.020 3.597 2.380 3.810 . 0 0 "[ . 1 . 2]" 1
575 1 9 ARG QD 1 12 LEU MD1 . . 4.270 3.989 3.120 4.271 0.001 16 0 "[ . 1 . 2]" 1
576 1 68 GLN HA 1 72 TYR HB2 . . 4.080 2.779 2.571 3.529 . 0 0 "[ . 1 . 2]" 1
577 1 68 GLN HA 1 72 TYR QD . . 5.250 4.331 4.044 4.866 . 0 0 "[ . 1 . 2]" 1
578 1 68 GLN HA 1 71 HIS H . . 4.170 3.876 3.671 4.083 . 0 0 "[ . 1 . 2]" 1
579 1 68 GLN H 1 68 GLN HB2 . . 3.690 2.403 2.208 2.648 . 0 0 "[ . 1 . 2]" 1
580 1 68 GLN HB3 1 69 ARG H . . 4.160 3.223 2.723 3.991 . 0 0 "[ . 1 . 2]" 1
581 1 68 GLN HA 1 68 GLN HG2 . . 3.910 2.946 2.333 3.877 . 0 0 "[ . 1 . 2]" 1
582 1 68 GLN H 1 68 GLN HG2 . . 4.750 3.946 2.003 4.624 . 0 0 "[ . 1 . 2]" 1
583 1 68 GLN HA 1 68 GLN HG3 . . 3.910 2.909 2.250 3.837 . 0 0 "[ . 1 . 2]" 1
584 1 66 VAL HB 1 67 ALA HA . . 4.690 4.315 4.248 4.438 . 0 0 "[ . 1 . 2]" 1
585 1 67 ALA HA 1 72 TYR HB2 . . 4.970 3.938 3.618 4.369 . 0 0 "[ . 1 . 2]" 1
586 1 67 ALA HA 1 82 LEU MD1 . . 3.100 2.576 2.241 2.905 . 0 0 "[ . 1 . 2]" 1
587 1 67 ALA MB 1 68 GLN H . . 3.340 2.378 2.164 2.570 . 0 0 "[ . 1 . 2]" 1
588 1 67 ALA H 1 67 ALA MB . . 3.000 2.147 2.035 2.265 . 0 0 "[ . 1 . 2]" 1
589 1 67 ALA MB 1 72 TYR QD . . 3.470 2.578 2.191 2.982 . 0 0 "[ . 1 . 2]" 1
590 1 64 ALA HA 1 67 ALA MB . . 3.500 3.125 2.794 3.415 . 0 0 "[ . 1 . 2]" 1
591 1 67 ALA MB 1 79 GLY HA3 . . 4.230 4.170 3.889 4.232 0.002 13 0 "[ . 1 . 2]" 1
592 1 67 ALA MB 1 79 GLY HA2 . . 3.710 3.198 2.829 3.331 . 0 0 "[ . 1 . 2]" 1
593 1 63 TRP HB3 1 67 ALA MB . . 4.500 4.316 3.949 4.494 . 0 0 "[ . 1 . 2]" 1
594 1 67 ALA MB 1 72 TYR HB3 . . 3.870 3.470 3.050 3.746 . 0 0 "[ . 1 . 2]" 1
595 1 67 ALA MB 1 72 TYR HB2 . . 3.310 3.017 2.726 3.183 . 0 0 "[ . 1 . 2]" 1
596 1 67 ALA MB 1 82 LEU HG . . 4.040 3.781 3.494 4.010 . 0 0 "[ . 1 . 2]" 1
597 1 67 ALA MB 1 82 LEU MD1 . . 2.940 1.878 1.727 2.044 . 0 0 "[ . 1 . 2]" 1
598 1 67 ALA MB 1 78 ILE MG . . 3.140 2.239 1.939 3.006 . 0 0 "[ . 1 . 2]" 1
599 1 66 VAL HA 1 66 VAL MG1 . . 3.150 2.380 2.315 2.504 . 0 0 "[ . 1 . 2]" 1
600 1 66 VAL HA 1 69 ARG QB . . 3.640 2.834 2.559 3.260 . 0 0 "[ . 1 . 2]" 1
601 1 63 TRP HE3 1 66 VAL HB . . 4.000 2.882 2.484 3.170 . 0 0 "[ . 1 . 2]" 1
602 1 10 VAL MG1 1 13 ASN HD21 . . 4.100 3.119 2.627 3.442 . 0 0 "[ . 1 . 2]" 1
603 1 63 TRP HE3 1 66 VAL MG1 . . 3.720 3.152 2.982 3.504 . 0 0 "[ . 1 . 2]" 1
604 1 66 VAL H 1 66 VAL MG1 . . 3.870 3.766 3.758 3.775 . 0 0 "[ . 1 . 2]" 1
605 1 66 VAL MG1 1 67 ALA HA . . 3.900 3.561 3.224 3.740 . 0 0 "[ . 1 . 2]" 1
606 1 66 VAL MG2 1 67 ALA H . . 4.000 3.880 3.795 3.990 . 0 0 "[ . 1 . 2]" 1
607 1 65 ARG H 1 66 VAL MG2 . . 4.360 4.084 3.881 4.279 . 0 0 "[ . 1 . 2]" 1
608 1 66 VAL H 1 66 VAL MG2 . . 3.130 2.014 1.893 2.217 . 0 0 "[ . 1 . 2]" 1
609 1 63 TRP HA 1 66 VAL MG2 . . 3.430 2.762 2.324 3.071 . 0 0 "[ . 1 . 2]" 1
610 1 66 VAL HA 1 66 VAL MG2 . . 3.100 2.397 2.241 2.457 . 0 0 "[ . 1 . 2]" 1
611 1 57 ILE MG 1 66 VAL MG2 . . 3.510 3.236 2.883 3.512 0.002 6 0 "[ . 1 . 2]" 1
612 1 57 ILE MD 1 66 VAL MG2 . . 3.230 3.015 2.705 3.230 . 0 0 "[ . 1 . 2]" 1
613 1 65 ARG HB2 1 66 VAL H . . 4.320 2.924 2.227 3.800 . 0 0 "[ . 1 . 2]" 1
614 1 65 ARG H 1 65 ARG HB2 . . 3.610 2.327 2.201 2.587 . 0 0 "[ . 1 . 2]" 1
615 1 65 ARG HA 1 65 ARG HD3 . . 3.720 2.604 1.990 3.648 . 0 0 "[ . 1 . 2]" 1
616 1 65 ARG HA 1 65 ARG HD2 . . 3.720 3.077 2.033 3.717 . 0 0 "[ . 1 . 2]" 1
617 1 64 ALA HA 1 79 GLY HA3 . . 4.180 4.068 3.568 4.181 0.001 19 0 "[ . 1 . 2]" 1
618 1 64 ALA HA 1 79 GLY HA2 . . 4.590 4.344 3.980 4.593 0.003 17 0 "[ . 1 . 2]" 1
619 1 64 ALA HA 1 67 ALA H . . 4.040 3.831 3.656 4.039 . 0 0 "[ . 1 . 2]" 1
620 1 64 ALA MB 1 65 ARG H . . 3.560 2.401 2.134 2.678 . 0 0 "[ . 1 . 2]" 1
621 1 64 ALA MB 1 65 ARG HA . . 4.130 3.712 3.643 3.822 . 0 0 "[ . 1 . 2]" 1
622 1 57 ILE MD 1 63 TRP HA . . 3.640 3.334 2.992 3.634 . 0 0 "[ . 1 . 2]" 1
623 1 63 TRP HA 1 66 VAL HB . . 3.590 2.491 2.310 2.841 . 0 0 "[ . 1 . 2]" 1
624 1 63 TRP HA 1 66 VAL H . . 3.920 3.581 3.395 3.884 . 0 0 "[ . 1 . 2]" 1
625 1 43 SER HA 1 46 LYS H . . 4.350 3.671 3.464 4.013 . 0 0 "[ . 1 . 2]" 1
626 1 63 TRP HA 1 67 ALA H . . 4.810 4.080 3.880 4.260 . 0 0 "[ . 1 . 2]" 1
627 1 63 TRP HB2 1 79 GLY HA2 . . 4.840 4.363 3.910 4.767 . 0 0 "[ . 1 . 2]" 1
628 1 63 TRP HB3 1 63 TRP HE3 . . 3.930 3.036 2.961 3.107 . 0 0 "[ . 1 . 2]" 1
629 1 57 ILE MD 1 62 ARG HB3 . . 4.470 4.395 3.978 4.476 0.006 14 0 "[ . 1 . 2]" 1
630 1 62 ARG HB3 1 62 ARG QD . . 3.730 2.366 2.127 3.004 . 0 0 "[ . 1 . 2]" 1
631 1 60 ASP HB3 1 62 ARG HG2 . . 4.570 2.589 1.998 3.658 . 0 0 "[ . 1 . 2]" 1
632 1 60 ASP HB3 1 62 ARG HG3 . . 4.570 2.970 2.026 4.046 . 0 0 "[ . 1 . 2]" 1
633 1 60 ASP HB2 1 62 ARG HG3 . . 4.570 3.083 2.331 4.379 . 0 0 "[ . 1 . 2]" 1
634 1 61 ARG HB2 1 61 ARG QD . . 3.410 2.693 2.194 3.444 0.034 20 0 "[ . 1 . 2]" 1
635 1 61 ARG HB3 1 61 ARG QD . . 3.410 2.542 2.182 3.392 . 0 0 "[ . 1 . 2]" 1
636 1 61 ARG HA 1 61 ARG QD . . 4.230 3.515 2.011 4.229 . 0 0 "[ . 1 . 2]" 1
637 1 61 ARG H 1 61 ARG HG2 . . 4.190 3.221 2.604 4.174 . 0 0 "[ . 1 . 2]" 1
638 1 60 ASP HB3 1 62 ARG QD . . 4.110 3.198 2.305 3.955 . 0 0 "[ . 1 . 2]" 1
639 1 60 ASP HB2 1 62 ARG HG2 . . 4.570 3.203 2.063 4.402 . 0 0 "[ . 1 . 2]" 1
640 1 60 ASP HB2 1 62 ARG QD . . 4.110 3.645 2.466 4.111 0.001 17 0 "[ . 1 . 2]" 1
641 1 60 ASP H 1 60 ASP HB2 . . 3.690 2.310 2.204 2.551 . 0 0 "[ . 1 . 2]" 1
642 1 59 LYS HA 1 59 LYS HG3 . . 3.690 2.707 2.268 3.737 0.047 9 0 "[ . 1 . 2]" 1
643 1 59 LYS H 1 59 LYS HG2 . . 4.780 4.244 2.486 4.646 . 0 0 "[ . 1 . 2]" 1
644 1 59 LYS H 1 59 LYS HG3 . . 4.780 4.048 2.590 4.594 . 0 0 "[ . 1 . 2]" 1
645 1 59 LYS HA 1 59 LYS HG2 . . 3.690 2.959 2.197 3.653 . 0 0 "[ . 1 . 2]" 1
646 1 56 ALA HA 1 59 LYS QD . . 4.880 3.854 2.516 4.896 0.016 9 0 "[ . 1 . 2]" 1
647 1 59 LYS HA 1 59 LYS QD . . 5.070 3.784 2.280 4.249 . 0 0 "[ . 1 . 2]" 1
648 1 58 CYS HA 1 63 TRP HE1 . . 3.370 2.817 2.610 2.979 . 0 0 "[ . 1 . 2]" 1
649 1 58 CYS HA 1 61 ARG H . . 4.270 3.812 3.537 3.999 . 0 0 "[ . 1 . 2]" 1
650 1 58 CYS HA 1 63 TRP HD1 . . 3.840 3.368 3.197 3.585 . 0 0 "[ . 1 . 2]" 1
651 1 57 ILE HA 1 62 ARG H . . 3.900 3.489 3.290 3.761 . 0 0 "[ . 1 . 2]" 1
652 1 57 ILE HA 1 60 ASP HB3 . . 4.830 4.220 3.093 4.743 . 0 0 "[ . 1 . 2]" 1
653 1 57 ILE HA 1 62 ARG HB3 . . 5.080 4.019 3.719 4.285 . 0 0 "[ . 1 . 2]" 1
654 1 57 ILE HA 1 62 ARG HB2 . . 3.440 2.647 2.205 3.281 . 0 0 "[ . 1 . 2]" 1
655 1 57 ILE HB 1 57 ILE MD . . 3.330 2.210 2.084 2.274 . 0 0 "[ . 1 . 2]" 1
656 1 54 TYR HA 1 57 ILE HB . . 5.350 5.110 4.789 5.353 0.003 20 0 "[ . 1 . 2]" 1
657 1 57 ILE HA 1 57 ILE HG13 . . 3.920 3.590 3.579 3.613 . 0 0 "[ . 1 . 2]" 1
658 1 48 VAL HA 1 57 ILE HG12 . . 3.910 3.326 2.887 3.706 . 0 0 "[ . 1 . 2]" 1
659 1 53 GLY H 1 57 ILE MG . . 3.890 3.669 3.499 3.883 . 0 0 "[ . 1 . 2]" 1
660 1 51 GLU H 1 57 ILE MG . . 4.090 3.954 3.773 4.089 . 0 0 "[ . 1 . 2]" 1
661 1 57 ILE H 1 57 ILE MG . . 3.690 1.918 1.859 2.144 . 0 0 "[ . 1 . 2]" 1
662 1 52 GLY H 1 57 ILE MG . . 4.270 3.193 2.998 3.777 . 0 0 "[ . 1 . 2]" 1
663 1 54 TYR HA 1 57 ILE MG . . 3.720 3.596 3.402 3.721 0.001 1 0 "[ . 1 . 2]" 1
664 1 57 ILE HA 1 57 ILE MG . . 3.460 2.419 2.331 2.479 . 0 0 "[ . 1 . 2]" 1
665 1 51 GLU HB2 1 57 ILE MG . . 3.490 2.013 1.840 2.212 . 0 0 "[ . 1 . 2]" 1
666 1 57 ILE MD 1 63 TRP HE1 . . 4.010 3.014 2.851 3.266 . 0 0 "[ . 1 . 2]" 1
667 1 57 ILE MD 1 62 ARG H . . 3.670 3.522 3.118 3.674 0.004 17 0 "[ . 1 . 2]" 1
668 1 57 ILE MD 1 58 CYS H . . 3.780 2.633 2.411 2.799 . 0 0 "[ . 1 . 2]" 1
669 1 57 ILE MD 1 58 CYS HA . . 4.260 2.345 2.169 2.502 . 0 0 "[ . 1 . 2]" 1
670 1 57 ILE HA 1 57 ILE MD . . 3.630 3.556 3.501 3.619 . 0 0 "[ . 1 . 2]" 1
671 1 56 ALA HA 1 59 LYS QB . . 3.260 2.898 2.743 3.025 . 0 0 "[ . 1 . 2]" 1
672 1 56 ALA H 1 56 ALA MB . . 2.860 2.201 2.102 2.235 . 0 0 "[ . 1 . 2]" 1
673 1 56 ALA MB 1 57 ILE H . . 3.350 1.988 1.885 2.176 . 0 0 "[ . 1 . 2]" 1
674 1 52 GLY HA2 1 56 ALA MB . . 4.110 3.995 3.753 4.111 0.001 13 0 "[ . 1 . 2]" 1
675 1 56 ALA MB 1 57 ILE HA . . 4.390 3.691 3.587 3.746 . 0 0 "[ . 1 . 2]" 1
676 1 56 ALA MB 1 59 LYS QB . . 4.220 4.153 4.023 4.229 0.009 19 0 "[ . 1 . 2]" 1
677 1 55 GLU HA 1 58 CYS H . . 4.120 3.786 3.574 3.913 . 0 0 "[ . 1 . 2]" 1
678 1 54 TYR QD 1 55 GLU HA . . 4.020 2.596 2.417 2.828 . 0 0 "[ . 1 . 2]" 1
679 1 55 GLU HA 1 58 CYS HB2 . . 4.290 2.498 2.280 2.710 . 0 0 "[ . 1 . 2]" 1
680 1 55 GLU HA 1 58 CYS HB3 . . 4.290 3.925 3.700 4.150 . 0 0 "[ . 1 . 2]" 1
681 1 55 GLU HA 1 55 GLU HG2 . . 3.760 2.590 2.263 3.552 . 0 0 "[ . 1 . 2]" 1
682 1 55 GLU HB2 1 56 ALA H . . 3.650 2.733 2.504 2.987 . 0 0 "[ . 1 . 2]" 1
683 1 55 GLU H 1 55 GLU HB2 . . 3.650 2.359 2.215 2.489 . 0 0 "[ . 1 . 2]" 1
684 1 55 GLU H 1 55 GLU HG2 . . 3.840 3.409 2.451 3.841 0.001 13 0 "[ . 1 . 2]" 1
685 1 55 GLU H 1 55 GLU HG3 . . 3.840 2.773 2.286 3.608 . 0 0 "[ . 1 . 2]" 1
686 1 55 GLU HA 1 55 GLU HG3 . . 3.760 3.061 2.370 3.726 . 0 0 "[ . 1 . 2]" 1
687 1 54 TYR QD 1 55 GLU HG3 . . 4.050 2.878 2.185 4.060 0.010 9 0 "[ . 1 . 2]" 1
688 1 54 TYR HA 1 63 TRP HZ2 . . 4.750 4.602 4.329 4.751 0.001 17 0 "[ . 1 . 2]" 1
689 1 48 VAL MG2 1 54 TYR HA . . 4.010 3.893 3.666 4.014 0.004 5 0 "[ . 1 . 2]" 1
690 1 54 TYR HA 1 57 ILE H . . 4.660 3.974 3.844 4.159 . 0 0 "[ . 1 . 2]" 1
691 1 54 TYR HA 1 58 CYS H . . 5.000 3.958 3.824 4.135 . 0 0 "[ . 1 . 2]" 1
692 1 48 VAL MG1 1 54 TYR HB2 . . 4.360 2.560 2.041 2.834 . 0 0 "[ . 1 . 2]" 1
693 1 48 VAL MG1 1 53 GLY HA3 . . 4.370 4.256 4.171 4.373 0.003 17 0 "[ . 1 . 2]" 1
694 1 52 GLY HA3 1 56 ALA MB . . 4.110 2.885 2.614 3.052 . 0 0 "[ . 1 . 2]" 1
695 1 51 GLU HG3 1 66 VAL MG2 . . 4.610 3.257 1.964 4.229 . 0 0 "[ . 1 . 2]" 1
696 1 47 ILE MG 1 51 GLU HG3 . . 4.030 2.585 2.061 3.231 . 0 0 "[ . 1 . 2]" 1
697 1 50 GLU H 1 50 GLU HB2 . . 3.690 2.457 2.185 3.552 . 0 0 "[ . 1 . 2]" 1
698 1 50 GLU HB3 1 51 GLU H . . 4.020 3.165 2.950 3.767 . 0 0 "[ . 1 . 2]" 1
699 1 50 GLU HB3 1 52 GLY H . . 5.500 5.374 5.168 5.513 0.013 9 0 "[ . 1 . 2]" 1
700 1 50 GLU H 1 50 GLU HG3 . . 3.930 3.502 2.452 3.881 . 0 0 "[ . 1 . 2]" 1
701 1 50 GLU HA 1 50 GLU HG3 . . 3.960 3.461 2.704 3.701 . 0 0 "[ . 1 . 2]" 1
702 1 50 GLU H 1 50 GLU HG2 . . 3.930 2.994 2.500 3.805 . 0 0 "[ . 1 . 2]" 1
703 1 50 GLU HA 1 50 GLU HG2 . . 3.960 2.744 2.220 3.892 . 0 0 "[ . 1 . 2]" 1
704 1 49 ILE HA 1 53 GLY H . . 3.670 2.566 2.170 2.966 . 0 0 "[ . 1 . 2]" 1
705 1 49 ILE HA 1 49 ILE HG12 . . 3.580 2.629 2.559 2.671 . 0 0 "[ . 1 . 2]" 1
706 1 49 ILE HA 1 49 ILE HG13 . . 3.580 2.855 2.790 2.918 . 0 0 "[ . 1 . 2]" 1
707 1 49 ILE HA 1 49 ILE MG . . 2.970 2.380 2.309 2.462 . 0 0 "[ . 1 . 2]" 1
708 1 48 VAL MG1 1 49 ILE HA . . 4.100 3.233 2.934 3.525 . 0 0 "[ . 1 . 2]" 1
709 1 49 ILE H 1 49 ILE HG13 . . 3.720 2.053 1.925 2.277 . 0 0 "[ . 1 . 2]" 1
710 1 49 ILE MD 1 50 GLU H . . 4.620 4.377 4.148 4.621 0.001 5 0 "[ . 1 . 2]" 1
711 1 49 ILE HB 1 49 ILE MD . . 3.200 2.281 2.217 2.388 . 0 0 "[ . 1 . 2]" 1
712 1 48 VAL HA 1 57 ILE MG . . 3.190 2.573 2.287 2.840 . 0 0 "[ . 1 . 2]" 1
713 1 48 VAL HA 1 48 VAL MG2 . . 3.160 2.259 2.117 2.396 . 0 0 "[ . 1 . 2]" 1
714 1 47 ILE MG 1 48 VAL HA . . 3.980 3.412 3.071 3.667 . 0 0 "[ . 1 . 2]" 1
715 1 48 VAL MG2 1 57 ILE MD . . 4.370 2.977 2.663 3.224 . 0 0 "[ . 1 . 2]" 1
716 1 48 VAL MG2 1 57 ILE MG . . 3.720 3.554 3.340 3.723 0.003 14 0 "[ . 1 . 2]" 1
717 1 44 LEU HG 1 48 VAL MG2 . . 3.910 2.904 2.648 3.211 . 0 0 "[ . 1 . 2]" 1
718 1 47 ILE HB 1 48 VAL MG2 . . 4.360 3.364 3.132 3.606 . 0 0 "[ . 1 . 2]" 1
719 1 48 VAL MG2 1 63 TRP HH2 . . 3.470 2.666 2.164 3.061 . 0 0 "[ . 1 . 2]" 1
720 1 48 VAL MG2 1 49 ILE H . . 4.130 3.798 3.676 3.973 . 0 0 "[ . 1 . 2]" 1
721 1 48 VAL H 1 48 VAL MG2 . . 3.150 2.297 2.050 2.550 . 0 0 "[ . 1 . 2]" 1
722 1 48 VAL MG1 1 54 TYR H . . 3.560 3.390 3.177 3.543 . 0 0 "[ . 1 . 2]" 1
723 1 48 VAL MG1 1 53 GLY H . . 4.040 3.645 3.381 3.898 . 0 0 "[ . 1 . 2]" 1
724 1 48 VAL H 1 48 VAL MG1 . . 3.850 3.760 3.726 3.782 . 0 0 "[ . 1 . 2]" 1
725 1 48 VAL MG1 1 49 ILE H . . 3.890 3.020 2.627 3.492 . 0 0 "[ . 1 . 2]" 1
726 1 48 VAL MG1 1 54 TYR QD . . 3.910 3.203 2.848 3.473 . 0 0 "[ . 1 . 2]" 1
727 1 48 VAL MG1 1 53 GLY HA2 . . 4.370 3.324 3.142 3.516 . 0 0 "[ . 1 . 2]" 1
728 1 48 VAL MG1 1 54 TYR HA . . 3.120 2.122 1.887 2.299 . 0 0 "[ . 1 . 2]" 1
729 1 48 VAL HA 1 48 VAL MG1 . . 3.260 2.439 2.348 2.513 . 0 0 "[ . 1 . 2]" 1
730 1 48 VAL MG1 1 54 TYR HB3 . . 4.360 3.767 3.383 3.996 . 0 0 "[ . 1 . 2]" 1
731 1 48 VAL MG1 1 57 ILE MG . . 3.030 2.668 2.336 3.042 0.012 14 0 "[ . 1 . 2]" 1
732 1 47 ILE HA 1 50 GLU H . . 3.810 3.682 3.299 3.811 0.001 6 0 "[ . 1 . 2]" 1
733 1 47 ILE HA 1 47 ILE HG13 . . 3.770 2.854 2.682 3.012 . 0 0 "[ . 1 . 2]" 1
734 1 47 ILE HA 1 47 ILE MG . . 3.220 2.380 2.299 2.447 . 0 0 "[ . 1 . 2]" 1
735 1 47 ILE HA 1 47 ILE MD . . 3.930 3.866 3.794 3.900 . 0 0 "[ . 1 . 2]" 1
736 1 44 LEU HA 1 47 ILE HB . . 3.980 3.184 2.810 3.397 . 0 0 "[ . 1 . 2]" 1
737 1 47 ILE HB 1 47 ILE MD . . 3.710 2.283 2.165 2.403 . 0 0 "[ . 1 . 2]" 1
738 1 47 ILE HA 1 47 ILE HG12 . . 3.770 2.650 2.458 2.801 . 0 0 "[ . 1 . 2]" 1
739 1 47 ILE MG 1 51 GLU HG2 . . 4.030 3.144 2.192 3.981 . 0 0 "[ . 1 . 2]" 1
740 1 47 ILE MG 1 51 GLU H . . 4.570 3.674 3.347 4.191 . 0 0 "[ . 1 . 2]" 1
741 1 47 ILE MG 1 50 GLU H . . 5.400 4.740 4.391 5.040 . 0 0 "[ . 1 . 2]" 1
742 1 47 ILE MG 1 69 ARG H . . 5.500 5.331 4.746 5.503 0.003 5 0 "[ . 1 . 2]" 1
743 1 47 ILE H 1 47 ILE MG . . 3.890 3.768 3.745 3.786 . 0 0 "[ . 1 . 2]" 1
744 1 47 ILE H 1 47 ILE MD . . 3.810 3.363 3.120 3.610 . 0 0 "[ . 1 . 2]" 1
745 1 47 ILE MD 1 69 ARG H . . 5.130 4.821 4.496 5.128 . 0 0 "[ . 1 . 2]" 1
746 1 47 ILE MD 1 48 VAL H . . 4.540 4.285 3.889 4.531 . 0 0 "[ . 1 . 2]" 1
747 1 47 ILE MD 1 70 LEU H . . 4.550 4.167 3.660 4.549 . 0 0 "[ . 1 . 2]" 1
748 1 44 LEU HA 1 47 ILE MD . . 3.650 2.626 2.173 3.063 . 0 0 "[ . 1 . 2]" 1
749 1 47 ILE MD 1 66 VAL HA . . 4.200 3.677 3.061 4.125 . 0 0 "[ . 1 . 2]" 1
750 1 46 LYS HA 1 49 ILE H . . 4.190 3.816 3.214 4.134 . 0 0 "[ . 1 . 2]" 1
751 1 46 LYS HA 1 49 ILE HB . . 3.640 3.088 2.735 3.540 . 0 0 "[ . 1 . 2]" 1
752 1 46 LYS HA 1 49 ILE MD . . 3.500 2.774 2.221 3.455 . 0 0 "[ . 1 . 2]" 1
753 1 46 LYS HB3 1 47 ILE H . . 3.890 3.037 2.648 3.334 . 0 0 "[ . 1 . 2]" 1
754 1 46 LYS HA 1 46 LYS HG2 . . 3.770 2.813 2.479 3.613 . 0 0 "[ . 1 . 2]" 1
755 1 46 LYS HA 1 46 LYS HG3 . . 3.770 3.414 2.328 3.799 0.029 7 0 "[ . 1 . 2]" 1
756 1 45 SER HA 1 48 VAL MG2 . . 4.540 2.891 2.288 3.485 . 0 0 "[ . 1 . 2]" 1
757 1 45 SER HA 1 48 VAL HB . . 4.180 2.820 2.515 3.377 . 0 0 "[ . 1 . 2]" 1
758 1 45 SER HB2 1 90 ILE MD . . 4.400 3.038 2.099 4.083 . 0 0 "[ . 1 . 2]" 1
759 1 30 LYS H 1 30 LYS HG2 . . 4.670 4.006 1.909 4.671 0.001 11 0 "[ . 1 . 2]" 1
760 1 44 LEU MD1 1 45 SER H . . 4.430 4.130 3.952 4.292 . 0 0 "[ . 1 . 2]" 1
761 1 44 LEU MD1 1 63 TRP HZ3 . . 3.580 2.147 1.914 2.500 . 0 0 "[ . 1 . 2]" 1
762 1 44 LEU HA 1 44 LEU MD1 . . 3.070 2.336 2.106 2.554 . 0 0 "[ . 1 . 2]" 1
763 1 44 LEU MD1 1 86 TYR HB2 . . 4.100 3.938 3.725 4.108 0.008 19 0 "[ . 1 . 2]" 1
764 1 44 LEU H 1 44 LEU MD2 . . 4.290 4.192 4.139 4.241 . 0 0 "[ . 1 . 2]" 1
765 1 44 LEU MD2 1 45 SER H . . 4.570 3.463 3.214 3.749 . 0 0 "[ . 1 . 2]" 1
766 1 44 LEU MD2 1 86 TYR QD . . 3.800 2.568 2.002 2.969 . 0 0 "[ . 1 . 2]" 1
767 1 44 LEU HA 1 44 LEU MD2 . . 4.260 3.980 3.948 4.011 . 0 0 "[ . 1 . 2]" 1
768 1 44 LEU MD2 1 82 LEU HA . . 4.010 3.459 3.042 3.900 . 0 0 "[ . 1 . 2]" 1
769 1 44 LEU MD2 1 86 TYR HB3 . . 4.380 4.062 3.645 4.374 . 0 0 "[ . 1 . 2]" 1
770 1 44 LEU MD2 1 85 HIS HB2 . . 4.500 3.961 3.606 4.310 . 0 0 "[ . 1 . 2]" 1
771 1 44 LEU MD2 1 85 HIS HB3 . . 4.560 4.028 3.714 4.461 . 0 0 "[ . 1 . 2]" 1
772 1 41 LEU HA 1 44 LEU H . . 4.230 3.817 3.246 4.083 . 0 0 "[ . 1 . 2]" 1
773 1 41 LEU HA 1 44 LEU HB3 . . 3.650 2.583 2.335 2.842 . 0 0 "[ . 1 . 2]" 1
774 1 41 LEU H 1 41 LEU HB2 . . 3.950 3.584 3.556 3.621 . 0 0 "[ . 1 . 2]" 1
775 1 41 LEU H 1 41 LEU MD1 . . 4.030 3.925 3.772 4.122 0.092 10 0 "[ . 1 . 2]" 1
776 1 15 LEU H 1 15 LEU MD2 . . 3.890 3.532 3.261 3.824 . 0 0 "[ . 1 . 2]" 1
777 1 15 LEU MD2 1 16 ASP H . . 4.960 4.619 4.490 4.831 . 0 0 "[ . 1 . 2]" 1
778 1 41 LEU H 1 41 LEU MD2 . . 4.030 1.860 1.802 2.010 . 0 0 "[ . 1 . 2]" 1
779 1 14 TYR QD 1 15 LEU MD2 . . 3.960 3.084 2.554 3.629 . 0 0 "[ . 1 . 2]" 1
780 1 14 TYR QE 1 15 LEU MD2 . . 5.170 4.339 3.897 4.894 . 0 0 "[ . 1 . 2]" 1
781 1 15 LEU HA 1 15 LEU MD2 . . 2.890 2.177 2.002 2.381 . 0 0 "[ . 1 . 2]" 1
782 1 15 LEU MD2 1 42 TYR QB . . 4.420 3.941 3.375 4.406 . 0 0 "[ . 1 . 2]" 1
783 1 40 ASP HB3 1 70 LEU MD1 . . 4.510 2.647 1.980 3.173 . 0 0 "[ . 1 . 2]" 1
784 1 40 ASP H 1 40 ASP HB3 . . 3.660 2.680 2.597 2.737 . 0 0 "[ . 1 . 2]" 1
785 1 40 ASP H 1 40 ASP HB2 . . 3.660 2.543 2.374 2.813 . 0 0 "[ . 1 . 2]" 1
786 1 40 ASP HB2 1 70 LEU MD1 . . 4.510 3.377 2.296 3.996 . 0 0 "[ . 1 . 2]" 1
787 1 39 LEU HA 1 40 ASP H . . 3.120 2.168 2.138 2.283 . 0 0 "[ . 1 . 2]" 1
788 1 29 LEU HA 1 29 LEU HG . . 3.940 3.153 2.898 3.283 . 0 0 "[ . 1 . 2]" 1
789 1 39 LEU HA 1 39 LEU HG . . 4.130 2.469 2.389 2.547 . 0 0 "[ . 1 . 2]" 1
790 1 39 LEU H 1 39 LEU MD1 . . 4.320 4.266 4.182 4.330 0.010 17 0 "[ . 1 . 2]" 1
791 1 39 LEU MD1 1 82 LEU HA . . 3.970 3.722 3.330 3.972 0.002 19 0 "[ . 1 . 2]" 1
792 1 39 LEU MD1 1 85 HIS HB2 . . 3.940 3.471 3.243 3.873 . 0 0 "[ . 1 . 2]" 1
793 1 34 VAL HB 1 39 LEU MD1 . . 4.070 3.241 2.709 3.796 . 0 0 "[ . 1 . 2]" 1
794 1 39 LEU MD2 1 40 ASP H . . 3.230 2.326 1.893 2.591 . 0 0 "[ . 1 . 2]" 1
795 1 39 LEU H 1 39 LEU MD2 . . 4.180 4.144 4.066 4.205 0.025 6 0 "[ . 1 . 2]" 1
796 1 39 LEU MD2 1 72 TYR QE . . 4.420 4.266 3.823 4.419 . 0 0 "[ . 1 . 2]" 1
797 1 39 LEU MD2 1 85 HIS HD2 . . 4.460 4.175 3.714 4.459 . 0 0 "[ . 1 . 2]" 1
798 1 39 LEU HA 1 39 LEU MD2 . . 3.020 2.888 2.707 3.026 0.006 5 0 "[ . 1 . 2]" 1
799 1 39 LEU MD2 1 40 ASP HB2 . . 4.560 4.229 3.961 4.456 . 0 0 "[ . 1 . 2]" 1
800 1 39 LEU MD2 1 40 ASP HB3 . . 4.560 3.659 3.350 3.908 . 0 0 "[ . 1 . 2]" 1
801 1 38 ILE HB 1 39 LEU H . . 4.180 3.984 3.843 4.138 . 0 0 "[ . 1 . 2]" 1
802 1 38 ILE H 1 38 ILE HB . . 3.040 2.594 2.387 2.751 . 0 0 "[ . 1 . 2]" 1
803 1 31 ILE MG 1 38 ILE HB . . 4.560 4.373 4.015 4.550 . 0 0 "[ . 1 . 2]" 1
804 1 38 ILE HA 1 38 ILE HG12 . . 3.940 3.389 3.179 3.780 . 0 0 "[ . 1 . 2]" 1
805 1 38 ILE HG12 1 39 LEU H . . 3.970 3.006 2.451 3.931 . 0 0 "[ . 1 . 2]" 1
806 1 38 ILE H 1 38 ILE HG12 . . 4.710 4.506 4.370 4.685 . 0 0 "[ . 1 . 2]" 1
807 1 38 ILE HA 1 38 ILE HG13 . . 3.940 2.455 2.315 2.747 . 0 0 "[ . 1 . 2]" 1
808 1 38 ILE H 1 38 ILE HG13 . . 4.710 4.434 4.372 4.490 . 0 0 "[ . 1 . 2]" 1
809 1 38 ILE HA 1 38 ILE MG . . 3.370 3.195 3.183 3.201 . 0 0 "[ . 1 . 2]" 1
810 1 38 ILE MG 1 39 LEU H . . 3.970 3.813 3.523 3.955 . 0 0 "[ . 1 . 2]" 1
811 1 38 ILE H 1 38 ILE MG . . 3.300 2.065 1.867 2.326 . 0 0 "[ . 1 . 2]" 1
812 1 38 ILE HA 1 38 ILE MD . . 3.740 3.471 2.323 3.741 0.001 10 0 "[ . 1 . 2]" 1
813 1 38 ILE MD 1 39 LEU H . . 4.230 3.704 2.714 4.022 . 0 0 "[ . 1 . 2]" 1
814 1 38 ILE H 1 38 ILE MD . . 4.380 4.315 3.942 4.388 0.008 13 0 "[ . 1 . 2]" 1
815 1 38 ILE HB 1 38 ILE MD . . 3.400 2.217 2.147 2.357 . 0 0 "[ . 1 . 2]" 1
816 1 37 LYS HB3 1 38 ILE H . . 4.090 3.521 2.296 3.886 . 0 0 "[ . 1 . 2]" 1
817 1 37 LYS HA 1 37 LYS QG . . 3.540 2.577 2.176 3.342 . 0 0 "[ . 1 . 2]" 1
818 1 36 ARG HA 1 36 ARG QG . . 3.370 3.340 3.314 3.344 . 0 0 "[ . 1 . 2]" 1
819 1 34 VAL HA 1 35 GLU HA . . 4.590 4.389 4.377 4.419 . 0 0 "[ . 1 . 2]" 1
820 1 35 GLU HA 1 36 ARG H . . 3.530 2.661 2.614 2.756 . 0 0 "[ . 1 . 2]" 1
821 1 35 GLU HA 1 36 ARG QG . . 3.920 3.459 3.034 3.653 . 0 0 "[ . 1 . 2]" 1
822 1 35 GLU HB2 1 72 TYR QD . . 4.740 3.824 3.442 4.202 . 0 0 "[ . 1 . 2]" 1
823 1 34 VAL MG1 1 35 GLU HB3 . . 4.190 4.000 3.726 4.259 0.069 11 0 "[ . 1 . 2]" 1
824 1 35 GLU HB3 1 72 TYR QD . . 4.740 4.262 3.821 4.698 . 0 0 "[ . 1 . 2]" 1
825 1 35 GLU HG2 1 78 ILE MD . . 3.820 3.427 2.952 3.821 0.001 9 0 "[ . 1 . 2]" 1
826 1 35 GLU HG2 1 72 TYR QD . . 3.900 3.308 2.042 3.861 . 0 0 "[ . 1 . 2]" 1
827 1 34 VAL MG1 1 35 GLU HG3 . . 3.960 3.413 2.769 3.608 . 0 0 "[ . 1 . 2]" 1
828 1 35 GLU HG3 1 78 ILE MD . . 3.820 3.381 2.916 3.821 0.001 6 0 "[ . 1 . 2]" 1
829 1 35 GLU HA 1 35 GLU HG3 . . 4.190 3.548 2.346 3.724 . 0 0 "[ . 1 . 2]" 1
830 1 34 VAL HA 1 34 VAL MG1 . . 3.290 2.445 2.364 2.539 . 0 0 "[ . 1 . 2]" 1
831 1 34 VAL HA 1 34 VAL MG2 . . 3.200 2.290 2.143 2.416 . 0 0 "[ . 1 . 2]" 1
832 1 34 VAL H 1 34 VAL MG2 . . 3.750 2.864 2.587 3.084 . 0 0 "[ . 1 . 2]" 1
833 1 34 VAL MG2 1 85 HIS HD2 . . 3.380 3.017 2.720 3.379 . 0 0 "[ . 1 . 2]" 1
834 1 34 VAL MG1 1 35 GLU H . . 4.240 2.210 1.947 2.411 . 0 0 "[ . 1 . 2]" 1
835 1 34 VAL H 1 34 VAL MG1 . . 4.300 3.811 3.721 3.890 . 0 0 "[ . 1 . 2]" 1
836 1 34 VAL MG1 1 72 TYR QD . . 4.250 3.898 3.584 4.255 0.005 19 0 "[ . 1 . 2]" 1
837 1 34 VAL MG1 1 35 GLU HA . . 4.490 3.589 3.437 3.750 . 0 0 "[ . 1 . 2]" 1
838 1 34 VAL MG1 1 35 GLU HB2 . . 4.190 2.768 2.254 3.403 . 0 0 "[ . 1 . 2]" 1
839 1 34 VAL MG1 1 35 GLU HG2 . . 3.960 2.159 1.851 3.689 . 0 0 "[ . 1 . 2]" 1
840 1 33 ASN HB3 1 36 ARG HA . . 4.480 4.170 3.895 4.417 . 0 0 "[ . 1 . 2]" 1
841 1 33 ASN H 1 33 ASN HB3 . . 3.860 3.724 3.668 3.810 . 0 0 "[ . 1 . 2]" 1
842 1 33 ASN HB3 1 34 VAL H . . 3.870 3.551 3.303 3.800 . 0 0 "[ . 1 . 2]" 1
843 1 32 PRO HB2 1 39 LEU MD1 . . 4.770 3.351 2.648 3.662 . 0 0 "[ . 1 . 2]" 1
844 1 32 PRO HB3 1 39 LEU MD1 . . 4.770 4.404 3.814 4.738 . 0 0 "[ . 1 . 2]" 1
845 1 32 PRO QG 1 33 ASN H . . 4.570 4.355 4.051 4.535 . 0 0 "[ . 1 . 2]" 1
846 1 32 PRO QG 1 89 ILE MD . . 3.440 3.133 2.610 3.436 . 0 0 "[ . 1 . 2]" 1
847 1 32 PRO QG 1 39 LEU MD1 . . 3.510 2.036 1.761 2.392 . 0 0 "[ . 1 . 2]" 1
848 1 31 ILE MG 1 32 PRO HD3 . . 3.640 3.395 3.266 3.523 . 0 0 "[ . 1 . 2]" 1
849 1 32 PRO HD2 1 89 ILE MD . . 3.890 3.653 3.360 3.892 0.002 15 0 "[ . 1 . 2]" 1
850 1 32 PRO HD2 1 39 LEU MD1 . . 3.900 3.677 3.393 3.911 0.011 19 0 "[ . 1 . 2]" 1
851 1 31 ILE HA 1 32 PRO HD2 . . 3.280 2.024 1.979 2.121 . 0 0 "[ . 1 . 2]" 1
852 1 30 LYS HA 1 31 ILE HB . . 4.830 4.613 4.549 4.681 . 0 0 "[ . 1 . 2]" 1
853 1 31 ILE HA 1 31 ILE HG13 . . 3.920 2.884 2.287 3.778 . 0 0 "[ . 1 . 2]" 1
854 1 31 ILE HA 1 31 ILE HG12 . . 3.920 3.055 2.622 3.580 . 0 0 "[ . 1 . 2]" 1
855 1 30 LYS H 1 30 LYS HB2 . . 3.860 2.876 2.474 3.821 . 0 0 "[ . 1 . 2]" 1
856 1 30 LYS H 1 30 LYS HB3 . . 3.860 3.214 2.528 3.840 . 0 0 "[ . 1 . 2]" 1
857 1 30 LYS HA 1 30 LYS HG2 . . 3.910 2.969 2.292 3.883 . 0 0 "[ . 1 . 2]" 1
858 1 30 LYS HA 1 30 LYS HG3 . . 3.910 2.912 2.201 3.890 . 0 0 "[ . 1 . 2]" 1
859 1 30 LYS HA 1 30 LYS QD . . 4.280 3.838 2.453 4.285 0.005 3 0 "[ . 1 . 2]" 1
860 1 29 LEU HA 1 30 LYS H . . 3.030 2.169 2.138 2.310 . 0 0 "[ . 1 . 2]" 1
861 1 29 LEU HA 1 29 LEU MD1 . . 3.130 2.250 1.977 2.533 . 0 0 "[ . 1 . 2]" 1
862 1 29 LEU HB2 1 29 LEU MD2 . . 3.480 2.475 2.356 2.604 . 0 0 "[ . 1 . 2]" 1
863 1 22 TRP HE1 1 29 LEU MD1 . . 4.390 2.997 2.457 3.611 . 0 0 "[ . 1 . 2]" 1
864 1 29 LEU H 1 29 LEU MD1 . . 4.370 4.274 4.055 4.374 0.004 4 0 "[ . 1 . 2]" 1
865 1 29 LEU MD1 1 30 LYS H . . 3.370 2.688 2.099 3.200 . 0 0 "[ . 1 . 2]" 1
866 1 22 TRP HD1 1 29 LEU MD1 . . 3.670 2.199 1.938 2.596 . 0 0 "[ . 1 . 2]" 1
867 1 19 ALA HA 1 29 LEU MD1 . . 3.890 3.408 2.350 3.882 . 0 0 "[ . 1 . 2]" 1
868 1 29 LEU H 1 29 LEU MD2 . . 4.480 4.203 4.127 4.288 . 0 0 "[ . 1 . 2]" 1
869 1 19 ALA H 1 29 LEU MD2 . . 4.170 3.053 2.732 3.419 . 0 0 "[ . 1 . 2]" 1
870 1 22 TRP HD1 1 29 LEU MD2 . . 4.250 3.408 2.336 4.175 . 0 0 "[ . 1 . 2]" 1
871 1 19 ALA MB 1 29 LEU MD1 . . 4.370 3.850 3.123 4.336 . 0 0 "[ . 1 . 2]" 1
872 1 23 GLU QB 1 28 SER HA . . 4.370 3.947 3.541 4.361 . 0 0 "[ . 1 . 2]" 1
873 1 22 TRP HB3 1 28 SER HA . . 4.800 3.708 3.340 4.220 . 0 0 "[ . 1 . 2]" 1
874 1 22 TRP HB2 1 28 SER HA . . 4.800 4.478 4.051 4.803 0.003 6 0 "[ . 1 . 2]" 1
875 1 28 SER HA 1 29 LEU HA . . 4.500 4.341 4.311 4.381 . 0 0 "[ . 1 . 2]" 1
876 1 23 GLU HA 1 28 SER HA . . 4.110 3.084 2.560 3.794 . 0 0 "[ . 1 . 2]" 1
877 1 28 SER HA 1 29 LEU H . . 3.050 2.419 2.281 2.568 . 0 0 "[ . 1 . 2]" 1
878 1 28 SER HB2 1 29 LEU H . . 3.910 3.243 2.207 3.900 . 0 0 "[ . 1 . 2]" 1
879 1 28 SER H 1 28 SER HB3 . . 4.010 2.919 2.410 3.607 . 0 0 "[ . 1 . 2]" 1
880 1 28 SER HB3 1 29 LEU H . . 3.910 3.246 2.160 3.904 . 0 0 "[ . 1 . 2]" 1
881 1 25 GLN H 1 25 GLN HB2 . . 3.720 2.518 2.416 2.596 . 0 0 "[ . 1 . 2]" 1
882 1 25 GLN H 1 25 GLN HG2 . . 3.960 2.262 2.067 2.508 . 0 0 "[ . 1 . 2]" 1
883 1 25 GLN HA 1 25 GLN HG2 . . 4.190 3.202 3.073 3.332 . 0 0 "[ . 1 . 2]" 1
884 1 25 GLN H 1 25 GLN HG3 . . 3.960 3.731 3.571 3.899 . 0 0 "[ . 1 . 2]" 1
885 1 22 TRP HA 1 25 GLN HG3 . . 4.190 3.482 2.875 3.944 . 0 0 "[ . 1 . 2]" 1
886 1 25 GLN HA 1 25 GLN HG3 . . 4.190 3.654 3.553 3.740 . 0 0 "[ . 1 . 2]" 1
887 1 24 ILE HA 1 26 GLY H . . 4.390 4.183 3.708 4.379 . 0 0 "[ . 1 . 2]" 1
888 1 23 GLU HA 1 24 ILE HA . . 4.850 4.742 4.696 4.799 . 0 0 "[ . 1 . 2]" 1
889 1 24 ILE HA 1 24 ILE HG12 . . 3.450 2.568 2.502 2.699 . 0 0 "[ . 1 . 2]" 1
890 1 24 ILE HA 1 24 ILE HG13 . . 3.450 2.845 2.683 2.935 . 0 0 "[ . 1 . 2]" 1
891 1 24 ILE HA 1 24 ILE MG . . 2.990 2.409 2.349 2.495 . 0 0 "[ . 1 . 2]" 1
892 1 24 ILE H 1 24 ILE HB . . 3.150 2.444 2.410 2.508 . 0 0 "[ . 1 . 2]" 1
893 1 24 ILE HB 1 24 ILE MD . . 3.320 2.317 2.229 2.431 . 0 0 "[ . 1 . 2]" 1
894 1 24 ILE H 1 24 ILE HG12 . . 3.750 3.665 3.501 3.744 . 0 0 "[ . 1 . 2]" 1
895 1 24 ILE H 1 24 ILE MG . . 3.800 3.752 3.738 3.765 . 0 0 "[ . 1 . 2]" 1
896 1 24 ILE MG 1 25 GLN H . . 3.850 3.196 3.070 3.351 . 0 0 "[ . 1 . 2]" 1
897 1 24 ILE MG 1 25 GLN HE22 . . 4.420 3.141 2.562 3.973 . 0 0 "[ . 1 . 2]" 1
898 1 24 ILE MG 1 25 GLN HE21 . . 4.200 2.802 2.378 3.578 . 0 0 "[ . 1 . 2]" 1
899 1 24 ILE MG 1 25 GLN HA . . 3.840 3.336 3.106 3.482 . 0 0 "[ . 1 . 2]" 1
900 1 78 ILE H 1 78 ILE MD . . 4.090 3.612 3.325 3.886 . 0 0 "[ . 1 . 2]" 1
901 1 24 ILE MD 1 25 GLN H . . 4.500 4.378 4.221 4.485 . 0 0 "[ . 1 . 2]" 1
902 1 23 GLU HA 1 26 GLY H . . 4.110 3.820 3.618 3.983 . 0 0 "[ . 1 . 2]" 1
903 1 23 GLU HA 1 23 GLU HG2 . . 3.960 3.844 3.747 3.946 . 0 0 "[ . 1 . 2]" 1
904 1 23 GLU H 1 23 GLU HG2 . . 3.870 2.568 2.176 2.770 . 0 0 "[ . 1 . 2]" 1
905 1 23 GLU H 1 23 GLU HG3 . . 3.870 3.516 3.197 3.867 . 0 0 "[ . 1 . 2]" 1
906 1 23 GLU HA 1 23 GLU HG3 . . 3.960 3.656 3.581 3.751 . 0 0 "[ . 1 . 2]" 1
907 1 22 TRP HA 1 25 GLN HG2 . . 4.190 2.739 2.516 2.919 . 0 0 "[ . 1 . 2]" 1
908 1 22 TRP HA 1 25 GLN HB2 . . 3.690 2.773 2.616 2.875 . 0 0 "[ . 1 . 2]" 1
909 1 22 TRP HA 1 25 GLN HB3 . . 4.450 4.336 4.188 4.427 . 0 0 "[ . 1 . 2]" 1
910 1 22 TRP HA 1 25 GLN H . . 3.890 3.211 3.087 3.426 . 0 0 "[ . 1 . 2]" 1
911 1 22 TRP HA 1 22 TRP HE3 . . 3.230 2.393 2.217 2.552 . 0 0 "[ . 1 . 2]" 1
912 1 22 TRP HB2 1 29 LEU HB2 . . 4.380 2.784 2.348 3.122 . 0 0 "[ . 1 . 2]" 1
913 1 22 TRP HB2 1 23 GLU H . . 4.370 2.418 2.286 2.584 . 0 0 "[ . 1 . 2]" 1
914 1 22 TRP H 1 22 TRP HB3 . . 3.710 3.547 3.524 3.571 . 0 0 "[ . 1 . 2]" 1
915 1 22 TRP HB3 1 29 LEU HB2 . . 4.380 3.576 2.976 4.181 . 0 0 "[ . 1 . 2]" 1
916 1 21 PHE HA 1 24 ILE MD . . 3.550 2.621 2.294 2.987 . 0 0 "[ . 1 . 2]" 1
917 1 21 PHE HA 1 24 ILE HB . . 3.860 3.350 2.905 3.630 . 0 0 "[ . 1 . 2]" 1
918 1 21 PHE HA 1 21 PHE QD . . 4.030 2.667 2.432 2.960 . 0 0 "[ . 1 . 2]" 1
919 1 21 PHE HA 1 24 ILE H . . 4.230 3.941 3.681 4.133 . 0 0 "[ . 1 . 2]" 1
920 1 21 PHE HB3 1 93 TYR QD . . 4.120 3.091 2.689 3.276 . 0 0 "[ . 1 . 2]" 1
921 1 21 PHE H 1 21 PHE HB3 . . 3.540 2.224 2.185 2.281 . 0 0 "[ . 1 . 2]" 1
922 1 21 PHE HB2 1 93 TYR QD . . 3.840 3.731 3.343 3.843 0.003 11 0 "[ . 1 . 2]" 1
923 1 18 ILE QG 1 22 TRP HD1 . . 3.010 2.103 1.966 2.247 . 0 0 "[ . 1 . 2]" 1
924 1 22 TRP HD1 1 29 LEU HB2 . . 4.250 2.951 2.417 3.684 . 0 0 "[ . 1 . 2]" 1
925 1 19 ALA HA 1 22 TRP HD1 . . 4.070 2.932 2.563 3.467 . 0 0 "[ . 1 . 2]" 1
926 1 22 TRP H 1 22 TRP HD1 . . 3.850 3.300 3.054 3.493 . 0 0 "[ . 1 . 2]" 1
927 1 22 TRP HZ2 1 89 ILE MG . . 4.430 2.684 2.182 3.426 . 0 0 "[ . 1 . 2]" 1
928 1 22 TRP HZ2 1 89 ILE HG12 . . 4.170 3.930 3.384 4.170 . 0 0 "[ . 1 . 2]" 1
929 1 22 TRP HZ2 1 92 PRO HG2 . . 4.040 2.238 1.989 2.405 . 0 0 "[ . 1 . 2]" 1
930 1 22 TRP HZ2 1 92 PRO HG3 . . 4.040 2.714 2.497 2.904 . 0 0 "[ . 1 . 2]" 1
931 1 22 TRP HZ2 1 92 PRO HB2 . . 4.970 4.163 3.590 4.429 . 0 0 "[ . 1 . 2]" 1
932 1 22 TRP HZ2 1 92 PRO HD2 . . 4.550 3.448 3.133 3.787 . 0 0 "[ . 1 . 2]" 1
933 1 22 TRP HZ2 1 89 ILE HA . . 3.460 2.364 2.094 2.637 . 0 0 "[ . 1 . 2]" 1
934 1 22 TRP HH2 1 92 PRO HB3 . . 4.230 4.073 3.840 4.232 0.002 4 0 "[ . 1 . 2]" 1
935 1 22 TRP HH2 1 92 PRO HG2 . . 4.070 3.220 2.973 3.546 . 0 0 "[ . 1 . 2]" 1
936 1 22 TRP HH2 1 92 PRO HG3 . . 4.070 2.307 1.999 2.710 . 0 0 "[ . 1 . 2]" 1
937 1 22 TRP HH2 1 92 PRO HB2 . . 4.230 3.990 3.627 4.190 . 0 0 "[ . 1 . 2]" 1
938 1 22 TRP HZ3 1 25 GLN HB2 . . 4.540 4.059 3.708 4.444 . 0 0 "[ . 1 . 2]" 1
939 1 22 TRP HZ3 1 25 GLN HB3 . . 4.490 4.078 3.682 4.484 . 0 0 "[ . 1 . 2]" 1
940 1 22 TRP HA 1 22 TRP HZ3 . . 4.660 4.536 4.391 4.677 0.017 19 0 "[ . 1 . 2]" 1
941 1 22 TRP HE3 1 25 GLN HB2 . . 3.860 2.667 2.370 2.948 . 0 0 "[ . 1 . 2]" 1
942 1 22 TRP HE3 1 25 GLN HB3 . . 4.200 3.741 3.514 3.928 . 0 0 "[ . 1 . 2]" 1
943 1 90 ILE MG 1 93 TYR QD . . 3.690 2.317 1.977 2.921 . 0 0 "[ . 1 . 2]" 1
944 1 18 ILE HB 1 93 TYR QD . . 4.530 3.501 3.216 4.088 . 0 0 "[ . 1 . 2]" 1
945 1 93 TYR QD 1 94 GLU HG3 . . 4.490 4.048 2.869 4.471 . 0 0 "[ . 1 . 2]" 1
946 1 93 TYR HA 1 93 TYR QD . . 3.410 2.635 2.413 2.876 . 0 0 "[ . 1 . 2]" 1
947 1 90 ILE HA 1 93 TYR QD . . 4.440 2.743 2.176 3.261 . 0 0 "[ . 1 . 2]" 1
948 1 21 PHE QD 1 93 TYR QD . . 4.340 3.101 2.276 3.971 . 0 0 "[ . 1 . 2]" 1
949 1 21 PHE H 1 93 TYR QD . . 5.500 4.794 4.607 5.045 . 0 0 "[ . 1 . 2]" 1
950 1 22 TRP H 1 93 TYR QD . . 5.500 5.344 4.974 5.501 0.001 14 0 "[ . 1 . 2]" 1
951 1 93 TYR QD 1 94 GLU H . . 4.230 3.493 3.264 3.731 . 0 0 "[ . 1 . 2]" 1
952 1 14 TYR QE 1 93 TYR QD . . 4.500 4.185 3.730 4.431 . 0 0 "[ . 1 . 2]" 1
953 1 20 LYS HA 1 23 GLU H . . 4.300 4.109 3.936 4.258 . 0 0 "[ . 1 . 2]" 1
954 1 19 ALA HA 1 29 LEU MD2 . . 3.440 2.605 1.994 3.128 . 0 0 "[ . 1 . 2]" 1
955 1 19 ALA HA 1 29 LEU HB2 . . 3.570 2.512 2.134 2.987 . 0 0 "[ . 1 . 2]" 1
956 1 19 ALA HA 1 29 LEU HB3 . . 3.790 3.401 3.065 3.704 . 0 0 "[ . 1 . 2]" 1
957 1 19 ALA HA 1 22 TRP H . . 4.320 3.203 3.044 3.532 . 0 0 "[ . 1 . 2]" 1
958 1 19 ALA MB 1 29 LEU MD2 . . 3.060 2.016 1.774 2.344 . 0 0 "[ . 1 . 2]" 1
959 1 19 ALA MB 1 29 LEU HB2 . . 3.730 3.133 2.506 3.693 . 0 0 "[ . 1 . 2]" 1
960 1 19 ALA MB 1 29 LEU HB3 . . 3.420 2.848 2.367 3.373 . 0 0 "[ . 1 . 2]" 1
961 1 19 ALA MB 1 20 LYS HA . . 3.980 3.717 3.613 3.824 . 0 0 "[ . 1 . 2]" 1
962 1 16 ASP HA 1 19 ALA MB . . 3.260 2.682 2.230 3.013 . 0 0 "[ . 1 . 2]" 1
963 1 19 ALA MB 1 21 PHE H . . 4.860 4.240 4.068 4.392 . 0 0 "[ . 1 . 2]" 1
964 1 19 ALA MB 1 22 TRP H . . 5.300 4.444 4.271 4.754 . 0 0 "[ . 1 . 2]" 1
965 1 19 ALA H 1 19 ALA MB . . 2.780 2.165 2.041 2.244 . 0 0 "[ . 1 . 2]" 1
966 1 19 ALA MB 1 20 LYS H . . 3.150 2.446 2.165 2.691 . 0 0 "[ . 1 . 2]" 1
967 1 18 ILE HA 1 18 ILE QG . . 3.020 2.281 2.160 2.361 . 0 0 "[ . 1 . 2]" 1
968 1 18 ILE HA 1 18 ILE MD . . 3.750 3.623 3.512 3.723 . 0 0 "[ . 1 . 2]" 1
969 1 18 ILE HA 1 21 PHE HB3 . . 3.550 3.000 2.775 3.269 . 0 0 "[ . 1 . 2]" 1
970 1 18 ILE HA 1 93 TYR QD . . 4.020 2.250 2.006 2.671 . 0 0 "[ . 1 . 2]" 1
971 1 18 ILE HB 1 18 ILE MD . . 3.470 2.195 2.105 2.323 . 0 0 "[ . 1 . 2]" 1
972 1 15 LEU HA 1 18 ILE HB . . 4.670 4.263 4.015 4.510 . 0 0 "[ . 1 . 2]" 1
973 1 18 ILE QG 1 21 PHE HB3 . . 4.490 3.784 3.665 4.075 . 0 0 "[ . 1 . 2]" 1
974 1 18 ILE QG 1 93 TYR QD . . 4.000 2.761 2.144 3.143 . 0 0 "[ . 1 . 2]" 1
975 1 18 ILE H 1 18 ILE QG . . 4.150 3.975 3.942 3.993 . 0 0 "[ . 1 . 2]" 1
976 1 18 ILE QG 1 22 TRP HE1 . . 4.100 2.505 2.286 2.712 . 0 0 "[ . 1 . 2]" 1
977 1 18 ILE HA 1 18 ILE MG . . 3.650 3.197 3.188 3.203 . 0 0 "[ . 1 . 2]" 1
978 1 15 LEU HA 1 18 ILE MG . . 2.950 2.040 1.837 2.331 . 0 0 "[ . 1 . 2]" 1
979 1 18 ILE MG 1 93 TYR QD . . 5.160 4.432 4.196 4.770 . 0 0 "[ . 1 . 2]" 1
980 1 18 ILE MG 1 93 TYR QE . . 5.500 4.257 3.855 4.644 . 0 0 "[ . 1 . 2]" 1
981 1 14 TYR QE 1 18 ILE MG . . 4.020 3.884 3.655 4.020 0.000 4 0 "[ . 1 . 2]" 1
982 1 14 TYR QD 1 18 ILE MG . . 4.200 3.631 3.338 3.914 . 0 0 "[ . 1 . 2]" 1
983 1 18 ILE MG 1 22 TRP HD1 . . 3.570 3.370 2.893 3.574 0.004 19 0 "[ . 1 . 2]" 1
984 1 18 ILE MG 1 19 ALA H . . 3.090 2.071 1.830 2.343 . 0 0 "[ . 1 . 2]" 1
985 1 18 ILE H 1 18 ILE MG . . 3.030 2.155 1.986 2.392 . 0 0 "[ . 1 . 2]" 1
986 1 18 ILE H 1 18 ILE MD . . 4.350 4.310 4.197 4.361 0.011 15 0 "[ . 1 . 2]" 1
987 1 17 GLN HA 1 17 GLN HG3 . . 3.790 3.366 2.378 3.738 . 0 0 "[ . 1 . 2]" 1
988 1 17 GLN H 1 17 GLN HG2 . . 3.890 3.174 2.506 3.871 . 0 0 "[ . 1 . 2]" 1
989 1 17 GLN H 1 17 GLN HG3 . . 3.890 3.390 2.660 3.861 . 0 0 "[ . 1 . 2]" 1
990 1 17 GLN HA 1 17 GLN HG2 . . 3.790 2.675 2.164 3.803 0.013 15 0 "[ . 1 . 2]" 1
991 1 13 ASN HA 1 16 ASP HB2 . . 3.880 2.808 2.311 3.175 . 0 0 "[ . 1 . 2]" 1
992 1 16 ASP HB2 1 19 ALA MB . . 5.500 5.140 4.760 5.469 . 0 0 "[ . 1 . 2]" 1
993 1 16 ASP H 1 16 ASP HB2 . . 3.150 2.515 2.302 2.694 . 0 0 "[ . 1 . 2]" 1
994 1 16 ASP HB2 1 17 GLN H . . 3.540 2.851 2.446 3.191 . 0 0 "[ . 1 . 2]" 1
995 1 16 ASP H 1 16 ASP HB3 . . 3.900 3.588 3.554 3.619 . 0 0 "[ . 1 . 2]" 1
996 1 16 ASP HB3 1 17 GLN H . . 4.210 3.796 3.498 4.018 . 0 0 "[ . 1 . 2]" 1
997 1 15 LEU HA 1 18 ILE H . . 4.250 3.761 3.479 3.988 . 0 0 "[ . 1 . 2]" 1
998 1 15 LEU HB2 1 16 ASP H . . 3.880 2.313 1.974 2.777 . 0 0 "[ . 1 . 2]" 1
999 1 15 LEU HB3 1 16 ASP H . . 3.880 3.382 2.999 3.769 . 0 0 "[ . 1 . 2]" 1
1000 1 15 LEU H 1 15 LEU HB3 . . 3.770 3.592 3.569 3.616 . 0 0 "[ . 1 . 2]" 1
1001 1 12 LEU HA 1 15 LEU MD1 . . 3.550 2.255 1.953 2.746 . 0 0 "[ . 1 . 2]" 1
1002 1 15 LEU H 1 15 LEU MD1 . . 4.010 3.487 3.352 3.677 . 0 0 "[ . 1 . 2]" 1
1003 1 15 LEU MD1 1 16 ASP H . . 4.450 4.113 3.675 4.433 . 0 0 "[ . 1 . 2]" 1
1004 1 14 TYR HA 1 17 GLN QB . . 3.550 2.824 2.414 3.544 . 0 0 "[ . 1 . 2]" 1
1005 1 14 TYR HB2 1 15 LEU H . . 4.180 3.834 3.642 4.087 . 0 0 "[ . 1 . 2]" 1
1006 1 14 TYR H 1 14 TYR HB3 . . 3.880 2.692 2.478 2.870 . 0 0 "[ . 1 . 2]" 1
1007 1 14 TYR HB3 1 15 LEU H . . 4.180 2.653 2.368 2.986 . 0 0 "[ . 1 . 2]" 1
1008 1 14 TYR QD 1 41 LEU MD1 . . 4.460 2.447 2.036 3.055 . 0 0 "[ . 1 . 2]" 1
1009 1 14 TYR QD 1 41 LEU HG . . 3.680 2.464 2.005 2.821 . 0 0 "[ . 1 . 2]" 1
1010 1 14 TYR QD 1 41 LEU MD2 . . 4.460 3.594 2.887 4.170 . 0 0 "[ . 1 . 2]" 1
1011 1 14 TYR QD 1 41 LEU HB2 . . 4.600 4.416 3.936 4.603 0.003 11 0 "[ . 1 . 2]" 1
1012 1 14 TYR QD 1 15 LEU HG . . 3.960 3.636 3.087 3.959 . 0 0 "[ . 1 . 2]" 1
1013 1 14 TYR QD 1 15 LEU HA . . 3.930 3.710 3.471 3.916 . 0 0 "[ . 1 . 2]" 1
1014 1 14 TYR HA 1 14 TYR QD . . 3.440 2.680 2.444 2.836 . 0 0 "[ . 1 . 2]" 1
1015 1 14 TYR H 1 14 TYR QD . . 4.360 4.136 4.024 4.211 . 0 0 "[ . 1 . 2]" 1
1016 1 14 TYR QD 1 15 LEU H . . 3.980 3.857 3.658 3.981 0.001 18 0 "[ . 1 . 2]" 1
1017 1 14 TYR QE 1 18 ILE MD . . 3.590 3.307 2.950 3.585 . 0 0 "[ . 1 . 2]" 1
1018 1 14 TYR QE 1 41 LEU MD1 . . 4.090 1.964 1.871 2.155 . 0 0 "[ . 1 . 2]" 1
1019 1 14 TYR QE 1 41 LEU HG . . 3.690 2.461 2.086 2.928 . 0 0 "[ . 1 . 2]" 1
1020 1 14 TYR QE 1 41 LEU MD2 . . 4.090 3.898 3.648 4.079 . 0 0 "[ . 1 . 2]" 1
1021 1 14 TYR QE 1 41 LEU HB2 . . 3.690 2.680 1.995 3.129 . 0 0 "[ . 1 . 2]" 1
1022 1 14 TYR QE 1 41 LEU HB3 . . 4.540 4.111 3.660 4.486 . 0 0 "[ . 1 . 2]" 1
1023 1 14 TYR QE 1 42 TYR HA . . 4.050 3.242 2.979 3.765 . 0 0 "[ . 1 . 2]" 1
1024 1 14 TYR QE 1 45 SER HB2 . . 4.160 3.517 2.866 3.801 . 0 0 "[ . 1 . 2]" 1
1025 1 14 TYR QE 1 45 SER HB3 . . 4.160 3.428 2.793 3.757 . 0 0 "[ . 1 . 2]" 1
1026 1 14 TYR QE 1 93 TYR QE . . 3.550 2.434 1.994 3.161 . 0 0 "[ . 1 . 2]" 1
1027 1 13 ASN HA 1 16 ASP H . . 4.680 3.629 2.990 3.986 . 0 0 "[ . 1 . 2]" 1
1028 1 13 ASN HA 1 17 GLN H . . 5.220 4.044 3.735 4.557 . 0 0 "[ . 1 . 2]" 1
1029 1 10 VAL HA 1 13 ASN HB3 . . 3.830 3.113 2.449 3.776 . 0 0 "[ . 1 . 2]" 1
1030 1 13 ASN HB2 1 14 TYR H . . 4.210 3.733 3.459 3.985 . 0 0 "[ . 1 . 2]" 1
1031 1 13 ASN H 1 13 ASN HB3 . . 3.680 2.689 2.422 2.900 . 0 0 "[ . 1 . 2]" 1
1032 1 12 LEU HA 1 12 LEU MD2 . . 2.980 2.144 1.993 2.394 . 0 0 "[ . 1 . 2]" 1
1033 1 12 LEU H 1 12 LEU MD1 . . 4.190 3.479 3.320 3.678 . 0 0 "[ . 1 . 2]" 1
1034 1 12 LEU H 1 12 LEU MD2 . . 4.150 3.585 3.372 3.989 . 0 0 "[ . 1 . 2]" 1
1035 1 11 LYS HA 1 11 LYS HG3 . . 3.990 2.414 2.169 3.073 . 0 0 "[ . 1 . 2]" 1
1036 1 11 LYS HA 1 11 LYS HG2 . . 3.990 3.202 2.289 3.787 . 0 0 "[ . 1 . 2]" 1
1037 1 11 LYS HB2 1 12 LEU H . . 4.200 3.385 2.950 4.089 . 0 0 "[ . 1 . 2]" 1
1038 1 11 LYS HB3 1 12 LEU H . . 4.200 3.317 2.790 3.721 . 0 0 "[ . 1 . 2]" 1
1039 1 11 LYS H 1 11 LYS HB3 . . 3.960 3.271 2.565 3.606 . 0 0 "[ . 1 . 2]" 1
1040 1 11 LYS HA 1 11 LYS QD . . 4.460 3.526 2.397 4.196 . 0 0 "[ . 1 . 2]" 1
1041 1 10 VAL HA 1 13 ASN HB2 . . 3.830 2.989 2.222 3.686 . 0 0 "[ . 1 . 2]" 1
1042 1 10 VAL HB 1 11 LYS H . . 4.110 2.578 2.080 2.772 . 0 0 "[ . 1 . 2]" 1
1043 1 10 VAL H 1 10 VAL MG2 . . 3.410 2.276 2.115 2.464 . 0 0 "[ . 1 . 2]" 1
1044 1 10 VAL MG2 1 11 LYS H . . 4.370 3.798 3.620 3.861 . 0 0 "[ . 1 . 2]" 1
1045 1 10 VAL MG2 1 42 TYR QE . . 5.070 4.553 4.106 5.072 0.002 11 0 "[ . 1 . 2]" 1
1046 1 10 VAL HA 1 10 VAL MG2 . . 3.180 2.352 2.269 2.469 . 0 0 "[ . 1 . 2]" 1
1047 1 10 VAL HA 1 10 VAL MG1 . . 3.240 2.432 2.385 2.457 . 0 0 "[ . 1 . 2]" 1
1048 1 10 VAL MG1 1 11 LYS H . . 4.110 3.476 3.024 3.699 . 0 0 "[ . 1 . 2]" 1
1049 1 10 VAL MG1 1 12 LEU H . . 4.340 4.315 4.269 4.344 0.004 17 0 "[ . 1 . 2]" 1
1050 1 9 ARG HA 1 12 LEU MD1 . . 3.580 2.949 2.231 3.393 . 0 0 "[ . 1 . 2]" 1
1051 1 9 ARG HB3 1 10 VAL H . . 4.530 2.638 1.921 3.244 . 0 0 "[ . 1 . 2]" 1
1052 1 9 ARG HB2 1 10 VAL H . . 4.530 2.933 2.238 3.774 . 0 0 "[ . 1 . 2]" 1
1053 1 9 ARG HB3 1 9 ARG QD . . 3.920 2.888 2.174 3.486 . 0 0 "[ . 1 . 2]" 1
1054 1 9 ARG HB2 1 9 ARG QD . . 3.920 2.826 2.218 3.483 . 0 0 "[ . 1 . 2]" 1
1055 1 57 ILE MD 1 63 TRP HD1 . . 3.980 3.796 3.614 3.982 0.002 17 0 "[ . 1 . 2]" 1
1056 1 63 TRP HB2 1 63 TRP HD1 . . 3.730 2.549 2.546 2.554 . 0 0 "[ . 1 . 2]" 1
1057 1 61 ARG HA 1 63 TRP HD1 . . 4.210 3.280 3.014 3.566 . 0 0 "[ . 1 . 2]" 1
1058 1 57 ILE MD 1 63 TRP HZ2 . . 4.550 2.640 2.435 2.881 . 0 0 "[ . 1 . 2]" 1
1059 1 48 VAL MG2 1 63 TRP HZ2 . . 4.730 4.355 3.975 4.705 . 0 0 "[ . 1 . 2]" 1
1060 1 54 TYR QE 1 63 TRP HZ2 . . 3.720 2.251 1.999 2.462 . 0 0 "[ . 1 . 2]" 1
1061 1 54 TYR QD 1 63 TRP HZ2 . . 3.220 2.854 2.577 3.076 . 0 0 "[ . 1 . 2]" 1
1062 1 44 LEU MD1 1 86 TYR QD . . 3.810 3.683 3.225 3.811 0.001 15 0 "[ . 1 . 2]" 1
1063 1 96 PHE QD 1 97 GLN QG . . 4.170 2.601 1.831 4.174 0.004 19 0 "[ . 1 . 2]" 1
1064 1 81 LEU MD2 1 85 HIS HE1 . . 4.400 4.108 3.854 4.309 . 0 0 "[ . 1 . 2]" 1
1065 1 32 PRO QG 1 85 HIS HE1 . . 4.060 2.998 2.450 3.520 . 0 0 "[ . 1 . 2]" 1
1066 1 32 PRO HB3 1 85 HIS HE1 . . 4.230 2.655 2.412 2.987 . 0 0 "[ . 1 . 2]" 1
1067 1 32 PRO HB2 1 85 HIS HE1 . . 4.230 3.503 3.131 4.144 . 0 0 "[ . 1 . 2]" 1
1068 1 42 TYR HA 1 42 TYR QD . . 3.230 2.685 2.064 2.939 . 0 0 "[ . 1 . 2]" 1
1069 1 14 TYR QD 1 42 TYR HA . . 3.930 2.889 2.520 3.321 . 0 0 "[ . 1 . 2]" 1
1070 1 14 TYR QD 1 42 TYR QB . . 4.230 2.872 2.408 3.595 . 0 0 "[ . 1 . 2]" 1
1071 1 11 LYS HG3 1 42 TYR QB . . 4.570 3.235 2.580 4.510 . 0 0 "[ . 1 . 2]" 1
1072 1 11 LYS HG2 1 42 TYR QB . . 4.570 3.713 2.528 4.412 . 0 0 "[ . 1 . 2]" 1
1073 1 41 LEU HG 1 42 TYR QB . . 4.790 3.442 3.324 3.635 . 0 0 "[ . 1 . 2]" 1
1074 1 42 TYR QD 1 43 SER H . . 3.850 2.829 2.415 3.844 . 0 0 "[ . 1 . 2]" 1
1075 1 11 LYS HA 1 42 TYR QD . . 4.000 3.083 2.755 3.615 . 0 0 "[ . 1 . 2]" 1
1076 1 11 LYS QD 1 42 TYR QD . . 3.880 3.438 1.779 3.881 0.001 16 0 "[ . 1 . 2]" 1
1077 1 11 LYS HG3 1 42 TYR QD . . 4.180 2.539 1.996 4.239 0.059 20 0 "[ . 1 . 2]" 1
1078 1 11 LYS HG2 1 42 TYR QD . . 4.180 3.402 2.007 4.263 0.083 20 0 "[ . 1 . 2]" 1
1079 1 10 VAL MG1 1 42 TYR QD . . 4.370 3.813 3.406 4.347 . 0 0 "[ . 1 . 2]" 1
1080 1 10 VAL MG1 1 42 TYR QE . . 3.630 2.581 1.965 3.185 . 0 0 "[ . 1 . 2]" 1
1081 1 11 LYS QD 1 42 TYR QE . . 4.360 3.637 2.565 4.345 . 0 0 "[ . 1 . 2]" 1
1082 1 96 PHE QD 1 97 GLN H . . 4.310 3.120 2.451 3.568 . 0 0 "[ . 1 . 2]" 1
1083 1 88 ARG HB3 1 89 ILE H . . 3.950 2.656 2.247 3.366 . 0 0 "[ . 1 . 2]" 1
1084 1 95 MET H 1 95 MET HB2 . . 3.770 3.512 2.573 3.587 . 0 0 "[ . 1 . 2]" 1
1085 1 95 MET HB2 1 96 PHE H . . 4.300 3.806 2.197 4.124 . 0 0 "[ . 1 . 2]" 1
1086 1 92 PRO HA 1 95 MET ME . . 3.770 2.728 1.983 3.791 0.021 10 0 "[ . 1 . 2]" 1
1087 1 91 TYR QE 1 95 MET ME . . 3.930 3.062 1.941 3.602 . 0 0 "[ . 1 . 2]" 1
1088 1 91 TYR QD 1 95 MET ME . . 4.610 4.266 3.248 4.632 0.022 10 0 "[ . 1 . 2]" 1
1089 1 22 TRP HZ2 1 92 PRO HD3 . . 4.550 4.258 4.049 4.580 0.030 19 0 "[ . 1 . 2]" 1
1090 1 87 GLU HA 1 91 TYR HB2 . . 3.820 1.997 1.948 2.045 . 0 0 "[ . 1 . 2]" 1
1091 1 91 TYR HA 1 91 TYR QD . . 3.290 2.562 2.529 2.599 . 0 0 "[ . 1 . 2]" 1
1092 1 91 TYR HA 1 94 GLU HB2 . . 3.600 3.412 3.098 3.537 . 0 0 "[ . 1 . 2]" 1
1093 1 91 TYR HA 1 94 GLU HB3 . . 5.120 4.962 4.609 5.129 0.009 19 0 "[ . 1 . 2]" 1
1094 1 91 TYR H 1 91 TYR QD . . 4.250 4.031 4.015 4.052 . 0 0 "[ . 1 . 2]" 1
1095 1 91 TYR QD 1 95 MET H . . 4.930 4.074 3.817 4.368 . 0 0 "[ . 1 . 2]" 1
1096 1 87 GLU HA 1 91 TYR QD . . 4.240 4.185 3.983 4.234 . 0 0 "[ . 1 . 2]" 1
1097 1 91 TYR HA 1 91 TYR QE . . 4.970 4.843 4.829 4.852 . 0 0 "[ . 1 . 2]" 1
1098 1 88 ARG HB2 1 89 ILE H . . 3.950 3.434 2.542 3.924 . 0 0 "[ . 1 . 2]" 1
1099 1 88 ARG H 1 88 ARG HG3 . . 4.780 4.322 3.084 4.664 . 0 0 "[ . 1 . 2]" 1
1100 1 82 LEU HA 1 82 LEU HG . . 4.180 3.176 3.032 3.329 . 0 0 "[ . 1 . 2]" 1
1101 1 81 LEU H 1 81 LEU HB2 . . 3.530 2.278 2.223 2.400 . 0 0 "[ . 1 . 2]" 1
1102 1 72 TYR HB2 1 78 ILE MD . . 4.030 3.228 2.824 3.416 . 0 0 "[ . 1 . 2]" 1
1103 1 72 TYR HB2 1 73 PRO HD2 . . 4.020 3.750 3.619 3.910 . 0 0 "[ . 1 . 2]" 1
1104 1 72 TYR HB2 1 73 PRO HD3 . . 4.940 4.781 4.698 4.879 . 0 0 "[ . 1 . 2]" 1
1105 1 72 TYR H 1 72 TYR QD . . 3.750 3.645 3.489 3.751 0.001 18 0 "[ . 1 . 2]" 1
1106 1 67 ALA HA 1 72 TYR QD . . 3.240 2.399 2.006 2.695 . 0 0 "[ . 1 . 2]" 1
1107 1 72 TYR QD 1 73 PRO HD2 . . 3.680 2.024 1.998 2.099 . 0 0 "[ . 1 . 2]" 1
1108 1 35 GLU HG3 1 72 TYR QD . . 3.900 2.602 2.051 3.540 . 0 0 "[ . 1 . 2]" 1
1109 1 70 LEU HB3 1 72 TYR QD . . 4.120 2.693 2.041 2.961 . 0 0 "[ . 1 . 2]" 1
1110 1 72 TYR QD 1 82 LEU MD1 . . 4.070 3.336 3.118 3.619 . 0 0 "[ . 1 . 2]" 1
1111 1 67 ALA HA 1 72 TYR QE . . 3.890 3.595 2.880 3.886 . 0 0 "[ . 1 . 2]" 1
1112 1 35 GLU HG2 1 72 TYR QE . . 4.320 3.216 2.530 3.876 . 0 0 "[ . 1 . 2]" 1
1113 1 35 GLU HG3 1 72 TYR QE . . 4.320 3.423 2.718 4.302 . 0 0 "[ . 1 . 2]" 1
1114 1 34 VAL HB 1 72 TYR QE . . 4.030 3.727 3.212 4.016 . 0 0 "[ . 1 . 2]" 1
1115 1 70 LEU HB2 1 72 TYR QE . . 4.050 3.693 3.357 3.942 . 0 0 "[ . 1 . 2]" 1
1116 1 72 TYR QE 1 82 LEU MD2 . . 3.200 2.576 2.076 3.024 . 0 0 "[ . 1 . 2]" 1
1117 1 34 VAL MG1 1 72 TYR QE . . 3.550 2.725 1.996 3.538 . 0 0 "[ . 1 . 2]" 1
1118 1 70 LEU H 1 71 HIS HA . . 4.980 4.861 4.753 4.932 . 0 0 "[ . 1 . 2]" 1
1119 1 47 ILE MG 1 66 VAL HA . . 3.250 2.801 2.259 3.113 . 0 0 "[ . 1 . 2]" 1
1120 1 48 VAL MG1 1 63 TRP HH2 . . 4.200 3.458 2.983 3.813 . 0 0 "[ . 1 . 2]" 1
1121 1 44 LEU MD1 1 63 TRP HH2 . . 4.310 3.723 3.061 4.053 . 0 0 "[ . 1 . 2]" 1
1122 1 63 TRP HH2 1 83 ARG HA . . 4.500 3.467 3.089 4.458 . 0 0 "[ . 1 . 2]" 1
1123 1 63 TRP HH2 1 86 TYR HB2 . . 4.500 3.934 3.580 4.416 . 0 0 "[ . 1 . 2]" 1
1124 1 63 TRP HH2 1 86 TYR HB3 . . 4.390 3.908 3.330 4.275 . 0 0 "[ . 1 . 2]" 1
1125 1 48 VAL MG2 1 63 TRP HZ3 . . 3.900 2.587 2.139 2.864 . 0 0 "[ . 1 . 2]" 1
1126 1 63 TRP HZ3 1 66 VAL MG1 . . 4.060 3.119 2.831 3.458 . 0 0 "[ . 1 . 2]" 1
1127 1 63 TRP HE3 1 82 LEU HB3 . . 4.560 4.219 3.802 4.568 0.008 13 0 "[ . 1 . 2]" 1
1128 1 63 TRP HA 1 63 TRP HE3 . . 4.080 2.147 2.017 2.336 . 0 0 "[ . 1 . 2]" 1
1129 1 51 GLU HB3 1 57 ILE MG . . 3.490 1.993 1.878 2.252 . 0 0 "[ . 1 . 2]" 1
1130 1 57 ILE MD 1 62 ARG HB2 . . 3.440 3.215 2.984 3.447 0.007 9 0 "[ . 1 . 2]" 1
1131 1 54 TYR QD 1 55 GLU HG2 . . 4.050 2.984 2.106 4.045 . 0 0 "[ . 1 . 2]" 1
1132 1 54 TYR HA 1 54 TYR QD . . 3.500 3.219 3.132 3.299 . 0 0 "[ . 1 . 2]" 1
1133 1 54 TYR QD 1 55 GLU H . . 3.760 2.622 2.269 2.930 . 0 0 "[ . 1 . 2]" 1
1134 1 54 TYR QD 1 63 TRP HH2 . . 3.690 2.850 2.488 3.258 . 0 0 "[ . 1 . 2]" 1
1135 1 54 TYR QE 1 55 GLU H . . 5.500 4.844 4.514 5.126 . 0 0 "[ . 1 . 2]" 1
1136 1 54 TYR QE 1 87 GLU H . . 5.500 4.606 4.151 5.502 0.002 13 0 "[ . 1 . 2]" 1
1137 1 54 TYR QE 1 87 GLU HG2 . . 3.730 3.339 2.865 3.732 0.002 16 0 "[ . 1 . 2]" 1
1138 1 54 TYR QE 1 87 GLU HG3 . . 3.730 3.225 2.564 3.735 0.005 19 0 "[ . 1 . 2]" 1
1139 1 49 ILE H 1 49 ILE MG . . 3.870 3.766 3.756 3.775 . 0 0 "[ . 1 . 2]" 1
1140 1 49 ILE HA 1 49 ILE MD . . 4.040 3.863 3.832 3.881 . 0 0 "[ . 1 . 2]" 1
1141 1 43 SER H 1 43 SER HB2 . . 3.890 2.523 2.238 3.589 . 0 0 "[ . 1 . 2]" 1
1142 1 43 SER H 1 43 SER HB3 . . 3.890 3.155 2.608 3.592 . 0 0 "[ . 1 . 2]" 1
1143 1 43 SER HB2 1 44 LEU H . . 4.240 2.941 2.188 3.651 . 0 0 "[ . 1 . 2]" 1
1144 1 41 LEU H 1 41 LEU HG . . 3.960 3.070 2.245 3.541 . 0 0 "[ . 1 . 2]" 1
1145 1 41 LEU HA 1 41 LEU HG . . 3.720 3.689 3.639 3.723 0.003 16 0 "[ . 1 . 2]" 1
1146 1 39 LEU HA 1 40 ASP HB2 . . 5.060 4.358 4.230 4.432 . 0 0 "[ . 1 . 2]" 1
1147 1 31 ILE H 1 31 ILE MD . . 3.870 3.088 1.883 3.792 . 0 0 "[ . 1 . 2]" 1
1148 1 31 ILE HA 1 31 ILE MD . . 3.870 3.254 1.997 3.883 0.013 12 0 "[ . 1 . 2]" 1
1149 1 31 ILE MD 1 32 PRO HD2 . . 5.090 4.310 2.679 4.987 . 0 0 "[ . 1 . 2]" 1
1150 1 31 ILE H 1 31 ILE MG . . 4.090 3.807 3.757 3.870 . 0 0 "[ . 1 . 2]" 1
1151 1 31 ILE MG 1 39 LEU H . . 3.610 2.598 2.405 2.796 . 0 0 "[ . 1 . 2]" 1
1152 1 31 ILE MG 1 38 ILE HA . . 4.020 3.650 3.425 3.852 . 0 0 "[ . 1 . 2]" 1
1153 1 31 ILE HA 1 31 ILE MG . . 3.190 2.359 2.274 2.427 . 0 0 "[ . 1 . 2]" 1
1154 1 31 ILE MG 1 32 PRO HD2 . . 3.310 1.998 1.895 2.176 . 0 0 "[ . 1 . 2]" 1
1155 1 20 LYS HA 1 20 LYS HG2 . . 3.890 3.127 2.446 3.854 . 0 0 "[ . 1 . 2]" 1
1156 1 20 LYS H 1 20 LYS HG2 . . 4.600 4.419 2.902 4.615 0.015 18 0 "[ . 1 . 2]" 1
1157 1 20 LYS H 1 20 LYS HG3 . . 4.600 4.370 3.903 4.583 . 0 0 "[ . 1 . 2]" 1
1158 1 20 LYS HA 1 20 LYS HG3 . . 3.890 2.743 2.355 3.570 . 0 0 "[ . 1 . 2]" 1
1159 1 20 LYS HG2 1 24 ILE MD . . 4.240 2.979 2.468 4.088 . 0 0 "[ . 1 . 2]" 1
1160 1 20 LYS HG3 1 24 ILE MD . . 4.240 3.529 2.420 4.203 . 0 0 "[ . 1 . 2]" 1
1161 1 20 LYS QB 1 21 PHE H . . 3.440 2.881 2.590 3.442 0.002 6 0 "[ . 1 . 2]" 1
1162 1 20 LYS QB 1 20 LYS QE . . 3.950 2.871 1.960 3.812 . 0 0 "[ . 1 . 2]" 1
1163 1 20 LYS H 1 20 LYS QD . . 4.520 4.378 3.511 4.520 . 1 0 "[ . 1 . 2]" 1
1164 1 20 LYS HA 1 20 LYS QD . . 4.330 3.784 2.225 4.334 0.004 6 0 "[ . 1 . 2]" 1
1165 1 29 LEU HA 1 29 LEU MD2 . . 4.050 3.954 3.895 4.009 . 0 0 "[ . 1 . 2]" 1
1166 1 18 ILE MD 1 22 TRP HE1 . . 3.790 2.653 2.461 2.957 . 0 0 "[ . 1 . 2]" 1
1167 1 18 ILE MD 1 22 TRP HD1 . . 3.840 3.566 3.342 3.759 . 0 0 "[ . 1 . 2]" 1
1168 1 18 ILE MD 1 93 TYR QD . . 3.380 2.770 2.270 3.199 . 0 0 "[ . 1 . 2]" 1
1169 1 18 ILE MD 1 90 ILE HA . . 3.180 2.898 2.708 3.177 . 0 0 "[ . 1 . 2]" 1
1170 1 18 ILE MD 1 93 TYR QE . . 4.360 3.658 3.305 4.119 . 0 0 "[ . 1 . 2]" 1
1171 1 18 ILE QG 1 93 TYR QE . . 4.740 3.942 3.570 4.226 . 0 0 "[ . 1 . 2]" 1
1172 1 90 ILE MG 1 93 TYR QE . . 4.890 3.557 3.125 4.064 . 0 0 "[ . 1 . 2]" 1
1173 1 18 ILE HB 1 93 TYR QE . . 4.290 3.275 2.937 3.724 . 0 0 "[ . 1 . 2]" 1
1174 1 93 TYR QE 1 97 GLN QG . . 4.160 3.115 2.391 4.123 . 0 0 "[ . 1 . 2]" 1
1175 1 17 GLN QB 1 93 TYR QE . . 3.880 2.619 2.044 3.803 . 0 0 "[ . 1 . 2]" 1
1176 1 93 TYR QE 1 94 GLU HG3 . . 5.500 5.070 4.028 5.501 0.001 10 0 "[ . 1 . 2]" 1
1177 1 93 TYR QE 1 94 GLU HG2 . . 5.500 3.812 3.488 4.252 . 0 0 "[ . 1 . 2]" 1
1178 1 93 TYR HA 1 93 TYR QE . . 4.890 4.751 4.677 4.885 . 0 0 "[ . 1 . 2]" 1
1179 1 21 PHE HB3 1 93 TYR QE . . 4.870 4.408 3.558 4.712 . 0 0 "[ . 1 . 2]" 1
1180 1 21 PHE HB2 1 93 TYR QE . . 4.880 4.745 3.851 4.879 . 0 0 "[ . 1 . 2]" 1
1181 1 18 ILE HA 1 93 TYR QE . . 4.310 2.562 2.101 2.942 . 0 0 "[ . 1 . 2]" 1
1182 1 17 GLN HA 1 93 TYR QE . . 4.700 4.540 4.159 4.703 0.003 15 0 "[ . 1 . 2]" 1
1183 1 21 PHE HZ 1 92 PRO HB3 . . 4.290 3.668 3.220 4.034 . 0 0 "[ . 1 . 2]" 1
1184 1 43 SER HA 1 46 LYS HB3 . . 4.080 3.870 3.661 4.095 0.015 5 0 "[ . 1 . 2]" 1
1185 1 43 SER HA 1 46 LYS HB2 . . 4.080 2.431 2.215 2.797 . 0 0 "[ . 1 . 2]" 1
1186 1 42 TYR QD 1 43 SER HA . . 4.480 3.692 3.338 4.363 . 0 0 "[ . 1 . 2]" 1
1187 1 34 VAL HB 1 39 LEU MD2 . . 4.850 4.754 4.511 4.853 0.003 6 0 "[ . 1 . 2]" 1
1188 1 89 ILE HA 1 89 ILE HG13 . . 3.960 2.845 2.760 2.941 . 0 0 "[ . 1 . 2]" 1
1189 1 89 ILE H 1 89 ILE HG12 . . 4.140 4.005 3.860 4.138 . 0 0 "[ . 1 . 2]" 1
1190 1 44 LEU HG 1 86 TYR QD . . 3.800 2.972 2.579 3.317 . 0 0 "[ . 1 . 2]" 1
1191 1 42 TYR QE 1 46 LYS HE3 . . 4.720 3.105 1.987 4.725 0.005 9 0 "[ . 1 . 2]" 1
1192 1 46 LYS HA 1 46 LYS HD3 . . 4.020 2.724 2.000 4.096 0.076 4 0 "[ . 1 . 2]" 1
1193 1 46 LYS HA 1 46 LYS HD2 . . 4.020 3.192 2.098 4.029 0.009 7 0 "[ . 1 . 2]" 1
1194 1 42 TYR QE 1 46 LYS HD3 . . 4.700 3.877 1.999 4.753 0.053 5 0 "[ . 1 . 2]" 1
1195 1 42 TYR QE 1 46 LYS HD2 . . 4.700 3.843 1.998 4.681 . 0 0 "[ . 1 . 2]" 1
1196 1 91 TYR HA 1 93 TYR H . . 5.500 4.656 4.298 5.026 . 0 0 "[ . 1 . 2]" 1
1197 1 86 TYR HB3 1 90 ILE MD . . 4.760 3.832 3.489 4.098 . 0 0 "[ . 1 . 2]" 1
1198 1 86 TYR HA 1 89 ILE HB . . 4.670 4.245 3.582 4.649 . 0 0 "[ . 1 . 2]" 1
1199 1 84 SER HA 1 87 GLU H . . 4.150 3.533 3.125 3.895 . 0 0 "[ . 1 . 2]" 1
1200 1 82 LEU HA 1 86 TYR H . . 4.710 4.143 3.937 4.399 . 0 0 "[ . 1 . 2]" 1
1201 1 78 ILE MG 1 79 GLY H . . 4.810 3.270 3.084 3.472 . 0 0 "[ . 1 . 2]" 1
1202 1 76 LYS HA 1 76 LYS QD . . 4.220 3.040 2.055 4.040 . 0 0 "[ . 1 . 2]" 1
1203 1 69 ARG QB 1 70 LEU H . . 4.600 2.793 2.614 2.929 . 0 0 "[ . 1 . 2]" 1
1204 1 51 GLU HG2 1 66 VAL MG2 . . 4.610 3.901 3.084 4.493 . 0 0 "[ . 1 . 2]" 1
1205 1 47 ILE MG 1 66 VAL MG2 . . 3.310 2.350 1.953 2.773 . 0 0 "[ . 1 . 2]" 1
1206 1 42 TYR QE 1 46 LYS HE2 . . 4.720 3.263 2.035 4.722 0.002 4 0 "[ . 1 . 2]" 1
1207 1 39 LEU HA 1 39 LEU MD1 . . 4.310 3.753 3.683 3.817 . 0 0 "[ . 1 . 2]" 1
1208 1 28 SER HA 1 29 LEU HB2 . . 4.820 4.568 4.411 4.725 . 0 0 "[ . 1 . 2]" 1
1209 1 18 ILE HA 1 22 TRP HD1 . . 4.490 4.309 4.129 4.488 . 0 0 "[ . 1 . 2]" 1
1210 1 18 ILE MG 1 22 TRP HE1 . . 4.780 4.422 4.139 4.695 . 0 0 "[ . 1 . 2]" 1
1211 1 16 ASP HB3 1 17 GLN HA . . 4.660 4.465 4.215 4.631 . 0 0 "[ . 1 . 2]" 1
1212 1 15 LEU HG 1 16 ASP H . . 4.530 4.233 3.959 4.447 . 0 0 "[ . 1 . 2]" 1
1213 1 81 LEU HA 1 84 SER QB . . 3.970 2.965 2.813 3.571 . 0 0 "[ . 1 . 2]" 1
1214 1 63 TRP HE3 1 66 VAL MG2 . . 3.850 3.479 3.023 3.817 . 0 0 "[ . 1 . 2]" 1
1215 1 32 PRO HD2 1 39 LEU HB2 . . 4.980 4.519 4.092 4.777 . 0 0 "[ . 1 . 2]" 1
1216 1 8 THR HB 1 12 LEU MD1 . . 5.370 4.103 2.335 5.078 . 0 0 "[ . 1 . 2]" 1
1217 1 8 THR HB 1 12 LEU MD2 . . 5.500 4.360 3.119 5.334 . 0 0 "[ . 1 . 2]" 1
1218 1 8 THR HB 1 12 LEU HG . . 5.090 4.328 2.008 5.046 . 0 0 "[ . 1 . 2]" 1
1219 1 8 THR MG 1 12 LEU MD1 . . 3.710 2.783 1.974 3.699 . 0 0 "[ . 1 . 2]" 1
1220 1 8 THR MG 1 12 LEU MD2 . . 4.190 2.788 2.049 4.104 . 0 0 "[ . 1 . 2]" 1
1221 1 8 THR MG 1 12 LEU HG . . 3.670 2.709 1.984 3.628 . 0 0 "[ . 1 . 2]" 1
1222 1 9 ARG HA 1 9 ARG QD . . 3.840 2.243 1.962 2.846 . 0 0 "[ . 1 . 2]" 1
1223 1 10 VAL MG2 1 13 ASN HB2 . . 5.500 4.365 3.709 4.879 . 0 0 "[ . 1 . 2]" 1
1224 1 10 VAL MG2 1 13 ASN HB3 . . 5.500 4.347 3.794 4.885 . 0 0 "[ . 1 . 2]" 1
1225 1 11 LYS HA 1 42 TYR QB . . 4.240 3.076 2.716 3.442 . 0 0 "[ . 1 . 2]" 1
1226 1 11 LYS HB2 1 42 TYR QB . . 5.460 4.949 4.412 5.362 . 0 0 "[ . 1 . 2]" 1
1227 1 11 LYS HB3 1 42 TYR QB . . 5.460 4.451 3.751 5.422 . 0 0 "[ . 1 . 2]" 1
1228 1 8 THR HA 1 11 LYS QD . . 4.810 3.219 2.188 4.773 . 0 0 "[ . 1 . 2]" 1
1229 1 11 LYS HE2 1 42 TYR QD . . 4.630 3.455 2.063 4.630 . 17 0 "[ . 1 . 2]" 1
1230 1 11 LYS HE3 1 42 TYR QD . . 4.630 3.264 2.030 4.519 . 0 0 "[ . 1 . 2]" 1
1231 1 12 LEU HG 1 13 ASN H . . 4.950 4.222 4.039 4.599 . 0 0 "[ . 1 . 2]" 1
1232 1 13 ASN HA 1 16 ASP HB3 . . 4.890 4.447 3.943 4.854 . 0 0 "[ . 1 . 2]" 1
1233 1 14 TYR QD 1 42 TYR H . . 4.690 3.733 3.232 4.450 . 0 0 "[ . 1 . 2]" 1
1234 1 14 TYR QD 1 15 LEU MD1 . . 5.260 4.898 4.421 5.198 . 0 0 "[ . 1 . 2]" 1
1235 1 18 ILE HB 1 22 TRP HD1 . . 5.060 4.931 4.755 5.061 0.001 6 0 "[ . 1 . 2]" 1
1236 1 20 LYS HA 1 20 LYS QE . . 4.920 4.379 3.461 4.882 . 0 0 "[ . 1 . 2]" 1
1237 1 22 TRP HA 1 25 GLN HE21 . . 4.780 4.613 4.294 4.777 . 0 0 "[ . 1 . 2]" 1
1238 1 22 TRP HA 1 24 ILE H . . 4.680 3.951 3.663 4.375 . 0 0 "[ . 1 . 2]" 1
1239 1 24 ILE HA 1 25 GLN HA . . 5.310 4.861 4.821 4.910 . 0 0 "[ . 1 . 2]" 1
1240 1 24 ILE H 1 25 GLN HA . . 5.500 5.218 5.119 5.316 . 0 0 "[ . 1 . 2]" 1
1241 1 25 GLN HA 1 27 SER H . . 5.500 4.988 4.480 5.482 . 0 0 "[ . 1 . 2]" 1
1242 1 27 SER HB2 1 28 SER H . . 4.700 4.151 3.723 4.485 . 0 0 "[ . 1 . 2]" 1
1243 1 27 SER HB3 1 28 SER H . . 4.700 3.526 2.336 4.420 . 0 0 "[ . 1 . 2]" 1
1244 1 18 ILE H 1 29 LEU MD2 . . 5.330 4.659 4.245 4.995 . 0 0 "[ . 1 . 2]" 1
1245 1 29 LEU MD2 1 30 LYS H . . 5.500 4.614 3.880 5.048 . 0 0 "[ . 1 . 2]" 1
1246 1 30 LYS H 1 30 LYS HG3 . . 4.670 3.867 2.659 4.652 . 0 0 "[ . 1 . 2]" 1
1247 1 31 ILE MG 1 39 LEU MD1 . . 4.090 3.894 3.719 4.026 . 0 0 "[ . 1 . 2]" 1
1248 1 30 LYS HA 1 31 ILE MD . . 4.840 4.031 2.751 4.843 0.003 12 0 "[ . 1 . 2]" 1
1249 1 32 PRO HA 1 33 ASN HB2 . . 5.010 4.751 4.639 4.822 . 0 0 "[ . 1 . 2]" 1
1250 1 33 ASN HB3 1 38 ILE HA . . 4.600 4.279 3.971 4.491 . 0 0 "[ . 1 . 2]" 1
1251 1 34 VAL MG2 1 35 GLU H . . 4.750 3.841 3.568 3.973 . 0 0 "[ . 1 . 2]" 1
1252 1 35 GLU HA 1 35 GLU HG2 . . 4.190 3.145 2.885 3.501 . 0 0 "[ . 1 . 2]" 1
1253 1 33 ASN HA 1 38 ILE HA . . 3.190 2.993 2.744 3.170 . 0 0 "[ . 1 . 2]" 1
1254 1 38 ILE HA 1 39 LEU H . . 2.950 2.229 2.187 2.293 . 0 0 "[ . 1 . 2]" 1
1255 1 32 PRO HD2 1 39 LEU HB3 . . 4.980 3.507 3.119 3.781 . 0 0 "[ . 1 . 2]" 1
1256 1 39 LEU HA 1 40 ASP HB3 . . 5.060 4.813 4.696 4.878 . 0 0 "[ . 1 . 2]" 1
1257 1 40 ASP HB3 1 41 LEU H . . 4.810 4.383 4.124 4.451 . 0 0 "[ . 1 . 2]" 1
1258 1 42 TYR HA 1 42 TYR QE . . 5.070 4.803 4.327 4.912 . 0 0 "[ . 1 . 2]" 1
1259 1 47 ILE HA 1 49 ILE H . . 5.040 4.804 4.283 5.030 . 0 0 "[ . 1 . 2]" 1
1260 1 48 VAL MG1 1 57 ILE MD . . 4.630 3.132 2.753 3.731 . 0 0 "[ . 1 . 2]" 1
1261 1 49 ILE HA 1 51 GLU H . . 5.090 4.756 4.191 4.997 . 0 0 "[ . 1 . 2]" 1
1262 1 50 GLU HB2 1 52 GLY H . . 5.500 5.188 5.011 5.511 0.011 12 0 "[ . 1 . 2]" 1
1263 1 51 GLU HA 1 57 ILE MG . . 4.720 4.074 3.888 4.220 . 0 0 "[ . 1 . 2]" 1
1264 1 54 TYR HA 1 57 ILE MD . . 4.650 3.313 2.955 3.694 . 0 0 "[ . 1 . 2]" 1
1265 1 57 ILE HA 1 60 ASP HB2 . . 4.830 3.248 2.781 4.217 . 0 0 "[ . 1 . 2]" 1
1266 1 48 VAL MG1 1 57 ILE HG12 . . 4.970 2.148 1.945 2.650 . 0 0 "[ . 1 . 2]" 1
1267 1 59 LYS HA 1 61 ARG H . . 4.830 3.618 3.529 3.714 . 0 0 "[ . 1 . 2]" 1
1268 1 57 ILE MG 1 62 ARG HB2 . . 4.830 3.290 3.084 3.414 . 0 0 "[ . 1 . 2]" 1
1269 1 65 ARG H 1 65 ARG HG2 . . 4.670 3.426 2.059 4.631 . 0 0 "[ . 1 . 2]" 1
1270 1 66 VAL HB 1 67 ALA MB . . 4.530 3.927 3.806 4.070 . 0 0 "[ . 1 . 2]" 1
1271 1 67 ALA MB 1 79 GLY H . . 4.670 3.708 3.562 3.882 . 0 0 "[ . 1 . 2]" 1
1272 1 67 ALA MB 1 68 GLN HA . . 4.590 3.687 3.613 3.792 . 0 0 "[ . 1 . 2]" 1
1273 1 69 ARG H 1 69 ARG HD2 . . 5.260 4.816 2.051 5.272 0.012 17 0 "[ . 1 . 2]" 1
1274 1 69 ARG H 1 69 ARG HD3 . . 5.260 4.602 2.889 5.186 . 0 0 "[ . 1 . 2]" 1
1275 1 70 LEU HG 1 72 TYR QE . . 4.880 4.106 2.377 4.534 . 0 0 "[ . 1 . 2]" 1
1276 1 71 HIS HA 1 71 HIS HD2 . . 4.940 4.012 3.005 4.687 . 0 0 "[ . 1 . 2]" 1
1277 1 72 TYR QE 1 78 ILE MG . . 4.270 3.573 3.038 3.921 . 0 0 "[ . 1 . 2]" 1
1278 1 72 TYR H 1 73 PRO HD3 . . 5.090 5.050 4.995 5.091 0.001 8 0 "[ . 1 . 2]" 1
1279 1 67 ALA MB 1 73 PRO HD2 . . 5.500 5.266 4.984 5.503 0.003 20 0 "[ . 1 . 2]" 1
1280 1 76 LYS HB3 1 76 LYS QE . . 4.630 3.997 3.182 4.268 . 0 0 "[ . 1 . 2]" 1
1281 1 76 LYS HB2 1 76 LYS QE . . 4.630 3.968 2.263 4.522 . 0 0 "[ . 1 . 2]" 1
1282 1 72 TYR HB3 1 78 ILE HB . . 4.740 4.242 3.940 4.493 . 0 0 "[ . 1 . 2]" 1
1283 1 72 TYR HB3 1 78 ILE HG12 . . 5.010 4.482 4.017 4.752 . 0 0 "[ . 1 . 2]" 1
1284 1 72 TYR HB3 1 78 ILE HG13 . . 5.010 4.727 4.251 4.917 . 0 0 "[ . 1 . 2]" 1
1285 1 67 ALA HA 1 78 ILE MG . . 4.320 3.914 3.598 4.312 . 0 0 "[ . 1 . 2]" 1
1286 1 79 GLY HA2 1 82 LEU HB3 . . 5.310 4.828 4.710 4.927 . 0 0 "[ . 1 . 2]" 1
1287 1 78 ILE MG 1 81 LEU HB3 . . 4.500 3.108 2.780 3.392 . 0 0 "[ . 1 . 2]" 1
1288 1 81 LEU HG 1 82 LEU H . . 5.000 4.677 4.541 4.766 . 0 0 "[ . 1 . 2]" 1
1289 1 63 TRP HE3 1 82 LEU MD1 . . 4.870 3.085 2.616 3.884 . 0 0 "[ . 1 . 2]" 1
1290 1 83 ARG HA 1 83 ARG HD2 . . 4.520 4.448 4.238 4.528 0.008 18 0 "[ . 1 . 2]" 1
1291 1 39 LEU MD1 1 85 HIS HB3 . . 4.090 3.431 3.092 4.080 . 0 0 "[ . 1 . 2]" 1
1292 1 86 TYR HA 1 89 ILE H . . 4.520 3.711 3.452 3.851 . 0 0 "[ . 1 . 2]" 1
1293 1 89 ILE HB 1 90 ILE HG13 . . 4.570 3.022 2.736 3.211 . 0 0 "[ . 1 . 2]" 1
1294 1 86 TYR QD 1 90 ILE HB . . 4.640 2.942 2.535 3.141 . 0 0 "[ . 1 . 2]" 1
1295 1 91 TYR QD 1 92 PRO HA . . 4.910 3.778 3.584 3.938 . 0 0 "[ . 1 . 2]" 1
1296 1 90 ILE MG 1 94 GLU HB3 . . 4.630 4.213 4.029 4.458 . 0 0 "[ . 1 . 2]" 1
1297 1 90 ILE MG 1 94 GLU HB2 . . 4.230 3.400 3.282 3.575 . 0 0 "[ . 1 . 2]" 1
1298 1 95 MET HA 1 98 SER HB2 . . 4.100 3.039 2.237 3.952 . 0 0 "[ . 1 . 2]" 1
1299 1 39 LEU MD1 1 41 LEU HA . . 5.040 4.467 4.058 5.046 0.006 19 0 "[ . 1 . 2]" 1
1300 1 8 THR HA 1 11 LYS QB . . 4.120 2.865 1.860 3.449 . 0 0 "[ . 1 . 2]" 1
1301 1 8 THR HB 1 11 LYS QB . . 4.670 4.176 2.853 4.685 0.015 17 0 "[ . 1 . 2]" 1
1302 1 9 ARG QB 1 9 ARG QD . . 3.430 2.330 2.147 2.592 . 0 0 "[ . 1 . 2]" 1
1303 1 10 VAL MG1 1 13 ASN QB . . 4.540 2.551 2.297 3.179 . 0 0 "[ . 1 . 2]" 1
1304 1 10 VAL MG2 1 13 ASN QB . . 4.760 3.871 3.341 4.239 . 0 0 "[ . 1 . 2]" 1
1305 1 11 LYS H 1 11 LYS QG . . 4.410 3.357 2.470 4.051 . 0 0 "[ . 1 . 2]" 1
1306 1 11 LYS QB 1 11 LYS QE . . 4.210 3.179 1.966 3.751 . 0 0 "[ . 1 . 2]" 1
1307 1 11 LYS QB 1 12 LEU H . . 3.630 2.854 2.731 3.023 . 0 0 "[ . 1 . 2]" 1
1308 1 11 LYS QB 1 42 TYR QD . . 4.420 3.961 3.412 4.223 . 0 0 "[ . 1 . 2]" 1
1309 1 11 LYS QE 1 11 LYS QG . . 3.110 2.186 2.089 2.311 . 0 0 "[ . 1 . 2]" 1
1310 1 11 LYS QG 1 12 LEU H . . 4.590 4.332 3.717 4.612 0.022 17 0 "[ . 1 . 2]" 1
1311 1 11 LYS QG 1 42 TYR QB . . 3.940 2.870 2.488 3.392 . 0 0 "[ . 1 . 2]" 1
1312 1 11 LYS QG 1 42 TYR QD . . 3.650 2.314 1.852 3.787 0.137 20 0 "[ . 1 . 2]" 1
1313 1 11 LYS QE 1 42 TYR QE . . 4.440 3.165 2.094 4.430 . 0 0 "[ . 1 . 2]" 1
1314 1 12 LEU H 1 12 LEU QB . . 3.010 2.452 2.244 2.575 . 0 0 "[ . 1 . 2]" 1
1315 1 12 LEU QB 1 13 ASN H . . 3.600 2.392 2.095 2.694 . 0 0 "[ . 1 . 2]" 1
1316 1 13 ASN QB 1 15 LEU H . . 5.160 4.605 4.330 4.926 . 0 0 "[ . 1 . 2]" 1
1317 1 14 TYR QB 1 15 LEU H . . 3.630 2.606 2.340 2.916 . 0 0 "[ . 1 . 2]" 1
1318 1 14 TYR QB 1 41 LEU HG . . 5.340 4.331 3.820 4.670 . 0 0 "[ . 1 . 2]" 1
1319 1 14 TYR QB 1 42 TYR QD . . 3.590 2.309 1.953 3.057 . 0 0 "[ . 1 . 2]" 1
1320 1 14 TYR QB 1 42 TYR QE . . 4.380 3.725 3.047 4.371 . 0 0 "[ . 1 . 2]" 1
1321 1 14 TYR QD 1 41 LEU QD . . 3.670 2.394 2.020 2.921 . 0 0 "[ . 1 . 2]" 1
1322 1 14 TYR QE 1 41 LEU QD . . 3.560 1.958 1.867 2.142 . 0 0 "[ . 1 . 2]" 1
1323 1 15 LEU H 1 15 LEU QB . . 3.170 2.441 2.286 2.590 . 0 0 "[ . 1 . 2]" 1
1324 1 15 LEU QB 1 15 LEU MD1 . . 2.990 2.045 1.998 2.101 . 0 0 "[ . 1 . 2]" 1
1325 1 15 LEU QB 1 16 ASP HB2 . . 5.340 4.512 4.250 4.898 . 0 0 "[ . 1 . 2]" 1
1326 1 17 GLN H 1 17 GLN QG . . 3.240 2.736 2.461 3.154 . 0 0 "[ . 1 . 2]" 1
1327 1 17 GLN HA 1 17 GLN QG . . 3.130 2.510 2.127 3.317 0.187 18 0 "[ . 1 . 2]" 1
1328 1 17 GLN QG 1 18 ILE H . . 4.640 3.853 1.892 4.198 . 0 0 "[ . 1 . 2]" 1
1329 1 17 GLN QG 1 93 TYR QE . . 5.340 4.271 1.986 4.789 . 0 0 "[ . 1 . 2]" 1
1330 1 18 ILE QG 1 93 TYR QB . . 3.860 2.099 1.975 2.456 . 0 0 "[ . 1 . 2]" 1
1331 1 18 ILE MD 1 93 TYR QB . . 3.710 2.219 1.986 2.533 . 0 0 "[ . 1 . 2]" 1
1332 1 19 ALA HA 1 22 TRP QB . . 3.830 2.558 2.283 2.807 . 0 0 "[ . 1 . 2]" 1
1333 1 20 LYS H 1 20 LYS QG . . 4.010 3.899 2.828 4.029 0.019 14 0 "[ . 1 . 2]" 1
1334 1 20 LYS HA 1 23 GLU QG . . 4.240 2.117 1.979 2.392 . 0 0 "[ . 1 . 2]" 1
1335 1 20 LYS QG 1 21 PHE H . . 5.340 3.897 2.309 4.294 . 0 0 "[ . 1 . 2]" 1
1336 1 20 LYS QG 1 21 PHE HA . . 4.620 3.904 2.921 4.520 . 0 0 "[ . 1 . 2]" 1
1337 1 20 LYS QG 1 23 GLU QG . . 4.220 3.568 3.369 4.018 . 0 0 "[ . 1 . 2]" 1
1338 1 21 PHE HA 1 24 ILE QG . . 4.900 3.792 3.615 3.939 . 0 0 "[ . 1 . 2]" 1
1339 1 21 PHE QE 1 96 PHE QB . . 3.870 3.174 2.864 3.502 . 0 0 "[ . 1 . 2]" 1
1340 1 21 PHE HZ 1 25 GLN QG . . 4.510 3.198 2.900 3.696 . 0 0 "[ . 1 . 2]" 1
1341 1 21 PHE HZ 1 96 PHE QB . . 4.050 3.375 2.894 3.871 . 0 0 "[ . 1 . 2]" 1
1342 1 22 TRP HA 1 25 GLN QG . . 3.650 2.640 2.384 2.832 . 0 0 "[ . 1 . 2]" 1
1343 1 22 TRP QB 1 22 TRP HD1 . . 3.390 2.502 2.495 2.514 . 0 0 "[ . 1 . 2]" 1
1344 1 22 TRP QB 1 22 TRP HE3 . . 3.620 2.875 2.798 2.956 . 0 0 "[ . 1 . 2]" 1
1345 1 22 TRP QB 1 23 GLU H . . 3.730 2.333 2.220 2.486 . 0 0 "[ . 1 . 2]" 1
1346 1 22 TRP QB 1 28 SER HA . . 4.110 3.536 3.203 3.919 . 0 0 "[ . 1 . 2]" 1
1347 1 22 TRP QB 1 29 LEU H . . 4.210 3.700 3.304 4.081 . 0 0 "[ . 1 . 2]" 1
1348 1 22 TRP QB 1 29 LEU MD1 . . 4.360 3.480 2.837 3.730 . 0 0 "[ . 1 . 2]" 1
1349 1 22 TRP HE3 1 25 GLN QG . . 4.380 3.202 2.872 3.657 . 0 0 "[ . 1 . 2]" 1
1350 1 22 TRP HE3 1 27 SER QB . . 3.570 3.325 2.834 3.571 0.001 9 0 "[ . 1 . 2]" 1
1351 1 22 TRP HE1 1 93 TYR QB . . 4.440 3.159 2.548 3.503 . 0 0 "[ . 1 . 2]" 1
1352 1 22 TRP HZ3 1 25 GLN QG . . 4.410 3.577 3.161 4.088 . 0 0 "[ . 1 . 2]" 1
1353 1 22 TRP HZ3 1 27 SER QB . . 4.530 3.970 3.549 4.367 . 0 0 "[ . 1 . 2]" 1
1354 1 22 TRP HZ2 1 92 PRO QB . . 4.270 3.912 3.427 4.140 . 0 0 "[ . 1 . 2]" 1
1355 1 22 TRP HZ2 1 92 PRO QG . . 3.400 2.131 1.956 2.292 . 0 0 "[ . 1 . 2]" 1
1356 1 22 TRP HZ2 1 92 PRO QD . . 3.720 3.306 3.033 3.578 . 0 0 "[ . 1 . 2]" 1
1357 1 22 TRP HH2 1 92 PRO QB . . 3.720 3.586 3.339 3.723 0.003 4 0 "[ . 1 . 2]" 1
1358 1 22 TRP HH2 1 92 PRO QG . . 3.430 2.255 1.970 2.629 . 0 0 "[ . 1 . 2]" 1
1359 1 23 GLU H 1 23 GLU QG . . 3.370 2.504 2.142 2.701 . 0 0 "[ . 1 . 2]" 1
1360 1 23 GLU HA 1 23 GLU QG . . 3.410 3.331 3.313 3.340 . 0 0 "[ . 1 . 2]" 1
1361 1 23 GLU QG 1 24 ILE H . . 3.360 2.147 1.864 2.377 . 0 0 "[ . 1 . 2]" 1
1362 1 23 GLU QG 1 24 ILE HA . . 3.860 3.185 2.967 3.381 . 0 0 "[ . 1 . 2]" 1
1363 1 23 GLU QG 1 24 ILE HB . . 4.420 3.807 3.681 3.985 . 0 0 "[ . 1 . 2]" 1
1364 1 23 GLU QG 1 24 ILE MG . . 4.980 4.353 4.233 4.463 . 0 0 "[ . 1 . 2]" 1
1365 1 24 ILE H 1 24 ILE QG . . 3.100 2.309 2.139 2.401 . 0 0 "[ . 1 . 2]" 1
1366 1 24 ILE HA 1 24 ILE QG . . 3.010 2.388 2.345 2.450 . 0 0 "[ . 1 . 2]" 1
1367 1 24 ILE QG 1 25 GLN H . . 4.570 4.044 3.952 4.158 . 0 0 "[ . 1 . 2]" 1
1368 1 25 GLN H 1 25 GLN QG . . 3.350 2.244 2.054 2.480 . 0 0 "[ . 1 . 2]" 1
1369 1 25 GLN HA 1 25 GLN QG . . 3.620 3.007 2.939 3.079 . 0 0 "[ . 1 . 2]" 1
1370 1 25 GLN HA 1 26 GLY QA . . 5.340 4.221 4.199 4.236 . 0 0 "[ . 1 . 2]" 1
1371 1 27 SER H 1 27 SER QB . . 3.430 2.500 2.284 2.921 . 0 0 "[ . 1 . 2]" 1
1372 1 27 SER QB 1 28 SER H . . 4.140 3.286 2.315 3.895 . 0 0 "[ . 1 . 2]" 1
1373 1 30 LYS HA 1 30 LYS QG . . 3.400 2.503 2.163 3.343 . 0 0 "[ . 1 . 2]" 1
1374 1 30 LYS HA 1 31 ILE QG . . 4.570 3.859 3.421 4.464 . 0 0 "[ . 1 . 2]" 1
1375 1 30 LYS QB 1 31 ILE H . . 4.150 3.329 2.654 3.927 . 0 0 "[ . 1 . 2]" 1
1376 1 30 LYS QG 1 31 ILE H . . 4.310 3.508 2.259 4.296 . 0 0 "[ . 1 . 2]" 1
1377 1 31 ILE H 1 31 ILE QG . . 3.360 2.751 2.253 3.369 0.009 1 0 "[ . 1 . 2]" 1
1378 1 31 ILE MG 1 38 ILE QG . . 3.630 2.178 1.937 2.581 . 0 0 "[ . 1 . 2]" 1
1379 1 31 ILE QG 1 32 PRO HD3 . . 5.340 4.485 4.189 5.031 . 0 0 "[ . 1 . 2]" 1
1380 1 32 PRO QB 1 39 LEU MD1 . . 4.010 3.252 2.601 3.546 . 0 0 "[ . 1 . 2]" 1
1381 1 32 PRO QB 1 85 HIS HE1 . . 3.630 2.575 2.337 2.923 . 0 0 "[ . 1 . 2]" 1
1382 1 32 PRO HD2 1 39 LEU QB . . 4.130 3.390 3.028 3.581 . 0 0 "[ . 1 . 2]" 1
1383 1 32 PRO HD3 1 39 LEU QB . . 5.340 4.821 4.414 5.007 . 0 0 "[ . 1 . 2]" 1
1384 1 33 ASN QD 1 38 ILE HA . . 5.290 3.844 2.818 5.283 . 0 0 "[ . 1 . 2]" 1
1385 1 34 VAL MG1 1 35 GLU QG . . 3.380 2.093 1.839 2.694 . 0 0 "[ . 1 . 2]" 1
1386 1 35 GLU H 1 35 GLU QG . . 4.730 3.049 2.780 3.280 . 0 0 "[ . 1 . 2]" 1
1387 1 35 GLU HA 1 35 GLU QG . . 3.670 2.912 2.312 3.062 . 0 0 "[ . 1 . 2]" 1
1388 1 35 GLU QB 1 36 ARG H . . 4.400 3.896 3.868 3.905 . 0 0 "[ . 1 . 2]" 1
1389 1 35 GLU QB 1 72 TYR QD . . 4.060 3.561 3.205 3.922 . 0 0 "[ . 1 . 2]" 1
1390 1 35 GLU QB 1 72 TYR QE . . 3.850 2.795 2.185 3.731 . 0 0 "[ . 1 . 2]" 1
1391 1 35 GLU QG 1 72 TYR QD . . 3.420 2.453 2.007 3.069 . 0 0 "[ . 1 . 2]" 1
1392 1 35 GLU QG 1 73 PRO HD3 . . 4.630 2.530 2.192 2.874 . 0 0 "[ . 1 . 2]" 1
1393 1 36 ARG H 1 36 ARG QB . . 3.600 2.878 2.798 2.978 . 0 0 "[ . 1 . 2]" 1
1394 1 36 ARG HA 1 36 ARG QD . . 4.800 4.379 4.203 4.508 . 0 0 "[ . 1 . 2]" 1
1395 1 36 ARG QB 1 36 ARG QD . . 3.190 2.208 2.074 2.348 . 0 0 "[ . 1 . 2]" 1
1396 1 37 LYS H 1 37 LYS QB . . 3.300 2.911 2.739 3.239 . 0 0 "[ . 1 . 2]" 1
1397 1 37 LYS QB 1 38 ILE H . . 3.420 3.094 2.275 3.445 0.025 8 0 "[ . 1 . 2]" 1
1398 1 38 ILE H 1 38 ILE QG . . 4.140 3.979 3.941 4.069 . 0 0 "[ . 1 . 2]" 1
1399 1 38 ILE HA 1 38 ILE QG . . 3.380 2.399 2.275 2.685 . 0 0 "[ . 1 . 2]" 1
1400 1 39 LEU HA 1 40 ASP QB . . 4.400 4.050 3.980 4.092 . 0 0 "[ . 1 . 2]" 1
1401 1 39 LEU MD2 1 40 ASP QB . . 3.900 3.451 3.199 3.654 . 0 0 "[ . 1 . 2]" 1
1402 1 40 ASP H 1 70 LEU QD . . 4.270 2.827 2.259 3.413 . 0 0 "[ . 1 . 2]" 1
1403 1 40 ASP QB 1 43 SER H . . 4.340 3.502 2.976 4.090 . 0 0 "[ . 1 . 2]" 1
1404 1 40 ASP QB 1 43 SER QB . . 3.820 2.829 2.416 3.740 . 0 0 "[ . 1 . 2]" 1
1405 1 40 ASP QB 1 70 LEU QD . . 3.390 2.176 1.668 2.594 . 0 0 "[ . 1 . 2]" 1
1406 1 41 LEU QD 1 42 TYR H . . 3.930 2.678 2.121 3.137 . 0 0 "[ . 1 . 2]" 1
1407 1 41 LEU QD 1 42 TYR HA . . 4.730 3.909 3.743 4.018 . 0 0 "[ . 1 . 2]" 1
1408 1 41 LEU QD 1 42 TYR QB . . 4.590 3.501 3.107 3.710 . 0 0 "[ . 1 . 2]" 1
1409 1 41 LEU QD 1 43 SER H . . 5.430 4.883 4.510 5.146 . 0 0 "[ . 1 . 2]" 1
1410 1 42 TYR HA 1 45 SER QB . . 4.030 3.591 3.215 4.024 . 0 0 "[ . 1 . 2]" 1
1411 1 42 TYR QE 1 46 LYS QG . . 4.730 2.633 2.033 3.777 . 0 0 "[ . 1 . 2]" 1
1412 1 42 TYR QE 1 46 LYS QD . . 4.030 3.258 1.959 3.935 . 0 0 "[ . 1 . 2]" 1
1413 1 42 TYR QE 1 46 LYS QE . . 4.120 2.544 1.955 4.058 . 0 0 "[ . 1 . 2]" 1
1414 1 43 SER H 1 70 LEU QD . . 4.670 4.179 3.877 4.583 . 0 0 "[ . 1 . 2]" 1
1415 1 43 SER HA 1 46 LYS QB . . 3.470 2.406 2.198 2.752 . 0 0 "[ . 1 . 2]" 1
1416 1 43 SER QB 1 44 LEU H . . 3.720 2.424 2.144 3.237 . 0 0 "[ . 1 . 2]" 1
1417 1 43 SER QB 1 47 ILE MD . . 3.250 2.648 1.940 3.251 0.001 17 0 "[ . 1 . 2]" 1
1418 1 43 SER QB 1 70 LEU QD . . 2.970 2.289 1.807 2.658 . 0 0 "[ . 1 . 2]" 1
1419 1 44 LEU H 1 70 LEU QD . . 3.720 3.446 2.701 3.719 . 0 0 "[ . 1 . 2]" 1
1420 1 44 LEU HA 1 70 LEU QD . . 4.300 4.053 3.060 4.303 0.003 5 0 "[ . 1 . 2]" 1
1421 1 45 SER H 1 45 SER QB . . 3.120 2.282 2.169 2.542 . 0 0 "[ . 1 . 2]" 1
1422 1 45 SER QB 1 46 LYS H . . 3.530 2.437 2.007 3.352 . 0 0 "[ . 1 . 2]" 1
1423 1 45 SER QB 1 90 ILE MG . . 4.160 3.049 2.765 3.607 . 0 0 "[ . 1 . 2]" 1
1424 1 45 SER QB 1 90 ILE MD . . 3.650 2.755 2.085 3.648 . 0 0 "[ . 1 . 2]" 1
1425 1 46 LYS H 1 46 LYS QB . . 3.100 2.284 2.140 2.541 . 0 0 "[ . 1 . 2]" 1
1426 1 46 LYS HA 1 49 ILE QG . . 4.510 3.899 3.426 4.381 . 0 0 "[ . 1 . 2]" 1
1427 1 46 LYS QB 1 47 ILE H . . 3.410 2.393 2.165 2.598 . 0 0 "[ . 1 . 2]" 1
1428 1 46 LYS QB 1 47 ILE HA . . 4.730 3.755 3.647 3.834 . 0 0 "[ . 1 . 2]" 1
1429 1 46 LYS QG 1 47 ILE H . . 4.730 4.187 3.850 4.393 . 0 0 "[ . 1 . 2]" 1
1430 1 47 ILE H 1 47 ILE QG . . 3.240 1.995 1.894 2.295 . 0 0 "[ . 1 . 2]" 1
1431 1 47 ILE H 1 50 GLU QB . . 5.340 4.764 4.366 5.268 . 0 0 "[ . 1 . 2]" 1
1432 1 47 ILE HA 1 47 ILE QG . . 3.210 2.435 2.331 2.484 . 0 0 "[ . 1 . 2]" 1
1433 1 47 ILE HA 1 50 GLU QB . . 3.540 2.703 2.278 3.542 0.002 14 0 "[ . 1 . 2]" 1
1434 1 47 ILE HA 1 50 GLU QG . . 3.960 3.339 1.990 3.957 . 0 0 "[ . 1 . 2]" 1
1435 1 47 ILE MG 1 51 GLU QG . . 3.430 2.315 1.888 2.588 . 0 0 "[ . 1 . 2]" 1
1436 1 47 ILE MG 1 69 ARG QG . . 4.480 3.270 2.324 4.033 . 0 0 "[ . 1 . 2]" 1
1437 1 47 ILE MG 1 69 ARG QD . . 4.260 3.834 2.437 4.262 0.002 17 0 "[ . 1 . 2]" 1
1438 1 47 ILE QG 1 48 VAL H . . 4.360 3.985 3.871 4.164 . 0 0 "[ . 1 . 2]" 1
1439 1 47 ILE MD 1 69 ARG QD . . 4.470 4.021 2.879 4.475 0.005 17 0 "[ . 1 . 2]" 1
1440 1 48 VAL HA 1 51 GLU QB . . 3.990 2.850 2.387 3.206 . 0 0 "[ . 1 . 2]" 1
1441 1 48 VAL MG1 1 53 GLY QA . . 3.630 3.212 3.058 3.376 . 0 0 "[ . 1 . 2]" 1
1442 1 49 ILE H 1 49 ILE QG . . 3.210 2.038 1.913 2.257 . 0 0 "[ . 1 . 2]" 1
1443 1 49 ILE H 1 50 GLU QB . . 5.200 4.630 4.416 4.825 . 0 0 "[ . 1 . 2]" 1
1444 1 49 ILE HA 1 49 ILE QG . . 3.120 2.428 2.376 2.455 . 0 0 "[ . 1 . 2]" 1
1445 1 49 ILE HA 1 53 GLY QA . . 3.930 2.576 2.240 3.041 . 0 0 "[ . 1 . 2]" 1
1446 1 49 ILE QG 1 53 GLY H . . 5.010 4.613 4.301 4.967 . 0 0 "[ . 1 . 2]" 1
1447 1 50 GLU H 1 50 GLU QB . . 3.180 2.241 2.164 2.338 . 0 0 "[ . 1 . 2]" 1
1448 1 50 GLU H 1 50 GLU QG . . 3.270 2.712 2.418 3.268 . 0 0 "[ . 1 . 2]" 1
1449 1 50 GLU HA 1 50 GLU QG . . 3.420 2.567 2.170 3.311 . 0 0 "[ . 1 . 2]" 1
1450 1 50 GLU QB 1 51 GLU H . . 3.490 2.545 2.260 3.433 . 0 0 "[ . 1 . 2]" 1
1451 1 50 GLU QG 1 51 GLU H . . 4.760 3.864 1.858 4.266 . 0 0 "[ . 1 . 2]" 1
1452 1 51 GLU H 1 51 GLU QB . . 3.350 2.388 2.193 2.621 . 0 0 "[ . 1 . 2]" 1
1453 1 51 GLU H 1 51 GLU QG . . 3.400 2.396 1.926 2.815 . 0 0 "[ . 1 . 2]" 1
1454 1 51 GLU HA 1 51 GLU QG . . 3.570 2.492 2.142 3.049 . 0 0 "[ . 1 . 2]" 1
1455 1 51 GLU QB 1 57 ILE HA . . 4.590 4.084 3.793 4.275 . 0 0 "[ . 1 . 2]" 1
1456 1 51 GLU QB 1 57 ILE HG12 . . 5.340 4.147 3.983 4.318 . 0 0 "[ . 1 . 2]" 1
1457 1 51 GLU QG 1 57 ILE MG . . 4.090 2.941 2.076 3.351 . 0 0 "[ . 1 . 2]" 1
1458 1 51 GLU QG 1 66 VAL MG2 . . 3.960 3.067 1.946 3.859 . 0 0 "[ . 1 . 2]" 1
1459 1 52 GLY H 1 53 GLY QA . . 4.860 3.844 3.791 3.906 . 0 0 "[ . 1 . 2]" 1
1460 1 52 GLY QA 1 56 ALA MB . . 3.430 2.822 2.568 2.974 . 0 0 "[ . 1 . 2]" 1
1461 1 53 GLY QA 1 55 GLU H . . 4.870 3.614 3.448 3.955 . 0 0 "[ . 1 . 2]" 1
1462 1 54 TYR QB 1 55 GLU H . . 3.430 2.647 2.374 2.800 . 0 0 "[ . 1 . 2]" 1
1463 1 54 TYR QD 1 87 GLU QG . . 4.880 4.234 3.796 4.655 . 0 0 "[ . 1 . 2]" 1
1464 1 54 TYR QE 1 55 GLU QG . . 4.760 3.530 3.212 3.850 . 0 0 "[ . 1 . 2]" 1
1465 1 54 TYR QE 1 83 ARG QG . . 3.860 2.588 2.135 3.788 . 0 0 "[ . 1 . 2]" 1
1466 1 54 TYR QE 1 87 GLU QB . . 5.270 4.594 4.147 4.993 . 0 0 "[ . 1 . 2]" 1
1467 1 54 TYR QE 1 87 GLU QG . . 3.250 2.839 2.463 3.245 . 0 0 "[ . 1 . 2]" 1
1468 1 55 GLU H 1 55 GLU QB . . 3.080 2.327 2.193 2.445 . 0 0 "[ . 1 . 2]" 1
1469 1 55 GLU HA 1 58 CYS QB . . 3.550 2.471 2.260 2.677 . 0 0 "[ . 1 . 2]" 1
1470 1 55 GLU QB 1 56 ALA H . . 3.200 2.645 2.442 2.856 . 0 0 "[ . 1 . 2]" 1
1471 1 55 GLU QB 1 56 ALA MB . . 4.210 3.825 3.715 3.939 . 0 0 "[ . 1 . 2]" 1
1472 1 57 ILE HA 1 60 ASP QB . . 4.000 3.046 2.732 3.422 . 0 0 "[ . 1 . 2]" 1
1473 1 57 ILE HA 1 62 ARG QG . . 4.330 2.532 1.977 3.689 . 0 0 "[ . 1 . 2]" 1
1474 1 58 CYS H 1 58 CYS QB . . 3.240 2.270 2.240 2.379 . 0 0 "[ . 1 . 2]" 1
1475 1 58 CYS QB 1 59 LYS H . . 3.350 2.651 2.450 2.879 . 0 0 "[ . 1 . 2]" 1
1476 1 58 CYS QB 1 63 TRP HE1 . . 4.640 3.356 3.064 3.529 . 0 0 "[ . 1 . 2]" 1
1477 1 59 LYS H 1 59 LYS QG . . 4.090 3.627 2.439 4.047 . 0 0 "[ . 1 . 2]" 1
1478 1 59 LYS HA 1 59 LYS QG . . 3.170 2.406 2.152 2.651 . 0 0 "[ . 1 . 2]" 1
1479 1 59 LYS QG 1 60 ASP H . . 5.110 3.982 3.526 4.607 . 0 0 "[ . 1 . 2]" 1
1480 1 60 ASP H 1 60 ASP QB . . 3.170 2.262 2.182 2.431 . 0 0 "[ . 1 . 2]" 1
1481 1 60 ASP H 1 62 ARG QG . . 5.340 3.818 3.332 4.317 . 0 0 "[ . 1 . 2]" 1
1482 1 60 ASP QB 1 61 ARG H . . 3.890 3.686 3.580 3.779 . 0 0 "[ . 1 . 2]" 1
1483 1 60 ASP QB 1 62 ARG H . . 4.830 3.377 3.026 3.585 . 0 0 "[ . 1 . 2]" 1
1484 1 60 ASP QB 1 62 ARG QG . . 3.250 2.020 1.853 2.110 . 0 0 "[ . 1 . 2]" 1
1485 1 60 ASP QB 1 62 ARG QD . . 3.610 2.929 2.289 3.570 . 0 0 "[ . 1 . 2]" 1
1486 1 61 ARG H 1 61 ARG QG . . 3.490 2.657 2.454 2.879 . 0 0 "[ . 1 . 2]" 1
1487 1 63 TRP HD1 1 83 ARG QD . . 3.920 3.072 2.662 3.749 . 0 0 "[ . 1 . 2]" 1
1488 1 63 TRP HE1 1 83 ARG QG . . 4.410 2.718 2.022 3.224 . 0 0 "[ . 1 . 2]" 1
1489 1 63 TRP HE1 1 83 ARG QD . . 3.650 2.031 1.771 2.924 . 0 0 "[ . 1 . 2]" 1
1490 1 63 TRP HZ2 1 83 ARG QG . . 4.640 2.274 1.991 3.107 . 0 0 "[ . 1 . 2]" 1
1491 1 63 TRP HZ2 1 83 ARG QD . . 4.500 3.529 2.856 4.480 . 0 0 "[ . 1 . 2]" 1
1492 1 65 ARG H 1 65 ARG QB . . 3.070 2.268 2.153 2.531 . 0 0 "[ . 1 . 2]" 1
1493 1 65 ARG H 1 65 ARG QD . . 4.880 3.668 2.139 4.390 . 0 0 "[ . 1 . 2]" 1
1494 1 65 ARG HA 1 65 ARG QG . . 3.600 2.618 2.314 3.031 . 0 0 "[ . 1 . 2]" 1
1495 1 65 ARG HA 1 65 ARG QD . . 3.190 2.237 1.976 2.709 . 0 0 "[ . 1 . 2]" 1
1496 1 65 ARG QB 1 65 ARG QD . . 3.140 2.323 2.081 2.678 . 0 0 "[ . 1 . 2]" 1
1497 1 65 ARG QB 1 66 VAL H . . 3.670 2.472 2.200 2.670 . 0 0 "[ . 1 . 2]" 1
1498 1 65 ARG QB 1 66 VAL MG2 . . 4.820 3.172 3.016 3.394 . 0 0 "[ . 1 . 2]" 1
1499 1 65 ARG QG 1 66 VAL H . . 4.900 4.104 3.684 4.540 . 0 0 "[ . 1 . 2]" 1
1500 1 65 ARG QD 1 68 GLN QB . . 4.590 3.602 3.196 4.560 . 0 0 "[ . 1 . 2]" 1
1501 1 67 ALA MB 1 68 GLN QB . . 4.480 3.873 3.557 4.299 . 0 0 "[ . 1 . 2]" 1
1502 1 68 GLN H 1 68 GLN QB . . 3.080 2.267 2.144 2.543 . 0 0 "[ . 1 . 2]" 1
1503 1 68 GLN H 1 68 GLN QG . . 4.000 3.415 1.984 4.026 0.026 11 0 "[ . 1 . 2]" 1
1504 1 68 GLN HA 1 68 GLN QG . . 3.380 2.473 2.199 2.891 . 0 0 "[ . 1 . 2]" 1
1505 1 68 GLN QB 1 69 ARG H . . 3.390 2.849 2.673 3.083 . 0 0 "[ . 1 . 2]" 1
1506 1 68 GLN QG 1 69 ARG H . . 4.490 4.126 3.478 4.507 0.017 13 0 "[ . 1 . 2]" 1
1507 1 69 ARG H 1 69 ARG QD . . 4.620 4.150 2.010 4.531 . 0 0 "[ . 1 . 2]" 1
1508 1 69 ARG HA 1 69 ARG QG . . 3.400 2.492 2.194 2.697 . 0 0 "[ . 1 . 2]" 1
1509 1 69 ARG HA 1 69 ARG QD . . 3.700 2.744 2.182 3.700 . 0 0 "[ . 1 . 2]" 1
1510 1 70 LEU H 1 70 LEU QB . . 3.120 2.279 2.234 2.324 . 0 0 "[ . 1 . 2]" 1
1511 1 70 LEU H 1 70 LEU QD . . 3.690 3.644 3.579 3.693 0.003 4 0 "[ . 1 . 2]" 1
1512 1 70 LEU HA 1 70 LEU QD . . 2.720 2.043 1.853 2.318 . 0 0 "[ . 1 . 2]" 1
1513 1 70 LEU QB 1 72 TYR QD . . 3.620 2.637 2.019 2.893 . 0 0 "[ . 1 . 2]" 1
1514 1 70 LEU QB 1 72 TYR QE . . 3.190 2.874 2.655 3.027 . 0 0 "[ . 1 . 2]" 1
1515 1 70 LEU QD 1 72 TYR QD . . 3.570 3.351 2.898 3.507 . 0 0 "[ . 1 . 2]" 1
1516 1 70 LEU QD 1 72 TYR QE . . 3.010 2.143 1.968 2.460 . 0 0 "[ . 1 . 2]" 1
1517 1 71 HIS QB 1 71 HIS HD2 . . 3.480 2.838 2.638 3.097 . 0 0 "[ . 1 . 2]" 1
1518 1 72 TYR HB3 1 78 ILE QG . . 4.410 4.082 3.759 4.242 . 0 0 "[ . 1 . 2]" 1
1519 1 73 PRO QB 1 78 ILE MD . . 4.540 3.530 3.264 3.916 . 0 0 "[ . 1 . 2]" 1
1520 1 73 PRO HD2 1 78 ILE QG . . 5.340 3.976 3.826 4.169 . 0 0 "[ . 1 . 2]" 1
1521 1 76 LYS HA 1 76 LYS QG . . 3.590 2.443 2.149 2.895 . 0 0 "[ . 1 . 2]" 1
1522 1 76 LYS QB 1 76 LYS QE . . 3.960 3.505 2.238 3.802 . 0 0 "[ . 1 . 2]" 1
1523 1 76 LYS QB 1 78 ILE QG . . 3.770 2.445 1.963 2.741 . 0 0 "[ . 1 . 2]" 1
1524 1 76 LYS QB 1 78 ILE MD . . 3.990 2.964 2.234 3.498 . 0 0 "[ . 1 . 2]" 1
1525 1 77 ASN QB 1 80 SER QB . . 4.070 3.345 2.777 4.071 0.001 12 0 "[ . 1 . 2]" 1
1526 1 77 ASN QD 1 80 SER QB . . 4.460 2.955 2.039 4.144 . 0 0 "[ . 1 . 2]" 1
1527 1 78 ILE H 1 78 ILE QG . . 3.350 2.325 1.904 2.532 . 0 0 "[ . 1 . 2]" 1
1528 1 78 ILE MG 1 81 LEU QB . . 3.930 3.025 2.705 3.276 . 0 0 "[ . 1 . 2]" 1
1529 1 80 SER HA 1 83 ARG QD . . 4.170 3.947 3.673 4.171 0.001 12 0 "[ . 1 . 2]" 1
1530 1 81 LEU H 1 81 LEU QB . . 3.080 2.178 2.150 2.220 . 0 0 "[ . 1 . 2]" 1
1531 1 83 ARG H 1 83 ARG QG . . 4.650 3.798 3.685 3.877 . 0 0 "[ . 1 . 2]" 1
1532 1 83 ARG H 1 83 ARG QD . . 4.730 4.313 4.184 4.748 0.018 14 0 "[ . 1 . 2]" 1
1533 1 83 ARG HA 1 83 ARG QG . . 3.420 2.263 2.218 2.304 . 0 0 "[ . 1 . 2]" 1
1534 1 83 ARG HB2 1 83 ARG QD . . 3.430 2.345 2.175 2.940 . 0 0 "[ . 1 . 2]" 1
1535 1 83 ARG HB3 1 83 ARG QD . . 3.480 2.572 2.153 2.909 . 0 0 "[ . 1 . 2]" 1
1536 1 83 ARG QG 1 84 SER H . . 4.580 4.037 3.812 4.319 . 0 0 "[ . 1 . 2]" 1
1537 1 83 ARG QD 1 84 SER H . . 5.010 4.885 4.642 5.012 0.002 18 0 "[ . 1 . 2]" 1
1538 1 84 SER HA 1 87 GLU QB . . 3.790 3.002 2.561 3.273 . 0 0 "[ . 1 . 2]" 1
1539 1 86 TYR HA 1 90 ILE QG . . 4.100 2.035 1.984 2.342 . 0 0 "[ . 1 . 2]" 1
1540 1 87 GLU H 1 87 GLU QB . . 3.280 2.284 2.149 2.450 . 0 0 "[ . 1 . 2]" 1
1541 1 87 GLU H 1 87 GLU QG . . 3.400 2.716 2.203 3.233 . 0 0 "[ . 1 . 2]" 1
1542 1 87 GLU HA 1 87 GLU QG . . 3.440 2.385 2.135 2.616 . 0 0 "[ . 1 . 2]" 1
1543 1 87 GLU HA 1 91 TYR QB . . 3.230 1.975 1.901 2.021 . 0 0 "[ . 1 . 2]" 1
1544 1 87 GLU QB 1 88 ARG H . . 3.590 3.226 3.210 3.258 . 0 0 "[ . 1 . 2]" 1
1545 1 87 GLU QG 1 88 ARG H . . 5.180 4.480 4.242 4.779 . 0 0 "[ . 1 . 2]" 1
1546 1 87 GLU QG 1 91 TYR QD . . 5.330 5.149 4.791 5.395 0.065 19 0 "[ . 1 . 2]" 1
1547 1 88 ARG H 1 88 ARG QB . . 3.150 2.304 2.183 2.425 . 0 0 "[ . 1 . 2]" 1
1548 1 88 ARG H 1 88 ARG QG . . 4.110 3.804 3.009 4.138 0.028 17 0 "[ . 1 . 2]" 1
1549 1 88 ARG HA 1 88 ARG QG . . 3.400 2.470 2.164 2.861 . 0 0 "[ . 1 . 2]" 1
1550 1 88 ARG QB 1 89 ILE H . . 3.410 2.464 2.229 2.806 . 0 0 "[ . 1 . 2]" 1
1551 1 88 ARG QG 1 89 ILE H . . 5.120 3.906 3.229 4.361 . 0 0 "[ . 1 . 2]" 1
1552 1 89 ILE H 1 90 ILE QG . . 5.340 3.632 3.428 4.039 . 0 0 "[ . 1 . 2]" 1
1553 1 89 ILE HB 1 90 ILE QG . . 3.810 2.926 2.674 3.129 . 0 0 "[ . 1 . 2]" 1
1554 1 90 ILE H 1 90 ILE QG . . 3.620 1.979 1.887 2.081 . 0 0 "[ . 1 . 2]" 1
1555 1 90 ILE H 1 92 PRO QD . . 4.480 3.793 3.642 3.956 . 0 0 "[ . 1 . 2]" 1
1556 1 90 ILE HA 1 90 ILE QG . . 3.240 2.500 2.404 2.572 . 0 0 "[ . 1 . 2]" 1
1557 1 90 ILE HA 1 93 TYR QB . . 3.910 2.310 2.239 2.443 . 0 0 "[ . 1 . 2]" 1
1558 1 90 ILE MG 1 93 TYR QB . . 4.940 3.317 3.014 3.924 . 0 0 "[ . 1 . 2]" 1
1559 1 91 TYR HA 1 94 GLU QG . . 4.440 4.280 3.814 4.447 0.007 17 0 "[ . 1 . 2]" 1
1560 1 91 TYR QB 1 92 PRO QD . . 3.850 1.871 1.854 1.878 . 0 0 "[ . 1 . 2]" 1
1561 1 91 TYR QD 1 92 PRO QG . . 4.420 3.679 3.556 3.857 . 0 0 "[ . 1 . 2]" 1
1562 1 91 TYR QD 1 92 PRO QD . . 4.740 2.122 1.985 2.304 . 0 0 "[ . 1 . 2]" 1
1563 1 91 TYR QD 1 95 MET QB . . 4.130 3.351 2.932 3.854 . 0 0 "[ . 1 . 2]" 1
1564 1 91 TYR QE 1 95 MET QB . . 3.690 3.222 2.905 3.591 . 0 0 "[ . 1 . 2]" 1
1565 1 92 PRO HA 1 95 MET QB . . 4.590 3.682 2.842 3.914 . 0 0 "[ . 1 . 2]" 1
1566 1 92 PRO QB 1 93 TYR H . . 3.930 3.097 2.833 3.351 . 0 0 "[ . 1 . 2]" 1
1567 1 92 PRO QD 1 93 TYR H . . 3.800 2.620 2.602 2.696 . 0 0 "[ . 1 . 2]" 1
1568 1 93 TYR HA 1 96 PHE QB . . 4.190 2.848 2.605 3.264 . 0 0 "[ . 1 . 2]" 1
1569 1 93 TYR QB 1 94 GLU H . . 3.830 2.728 2.574 2.990 . 0 0 "[ . 1 . 2]" 1
1570 1 93 TYR QD 1 94 GLU QG . . 3.630 2.774 2.494 3.261 . 0 0 "[ . 1 . 2]" 1
1571 1 93 TYR QE 1 94 GLU QG . . 4.790 3.692 3.335 3.923 . 0 0 "[ . 1 . 2]" 1
1572 1 94 GLU H 1 94 GLU QG . . 3.290 2.802 2.654 2.928 . 0 0 "[ . 1 . 2]" 1
1573 1 94 GLU HA 1 94 GLU QG . . 3.400 2.433 2.147 2.613 . 0 0 "[ . 1 . 2]" 1
1574 1 94 GLU HA 1 97 GLN QB . . 3.860 3.319 2.644 3.864 0.004 19 0 "[ . 1 . 2]" 1
1575 1 94 GLU QG 1 95 MET H . . 4.230 4.118 3.975 4.219 . 0 0 "[ . 1 . 2]" 1
1576 1 96 PHE QB 1 97 GLN H . . 3.490 2.354 2.182 2.534 . 0 0 "[ . 1 . 2]" 1
1577 1 97 GLN QB 1 98 SER H . . 3.980 3.521 2.417 3.933 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 92
_Distance_constraint_stats_list.Viol_count 1829
_Distance_constraint_stats_list.Viol_total 16617.346
_Distance_constraint_stats_list.Viol_max 0.828
_Distance_constraint_stats_list.Viol_rms 0.1749
_Distance_constraint_stats_list.Viol_average_all_restraints 0.4516
_Distance_constraint_stats_list.Viol_average_violations_only 0.4543
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 42 TYR 45.090 0.824 5 18 "[ * *+*****-*********]"
1 43 SER 21.951 0.546 17 2 "[ . - 1 . + 2]"
1 44 LEU 43.380 0.828 10 20 [*********+*******-**]
1 45 SER 38.436 0.778 10 18 "[*********+******* -2]"
1 46 LYS 78.235 0.824 5 19 "[** *+*****-*********]"
1 47 ILE 21.951 0.546 17 2 "[ . - 1 . + 2]"
1 48 VAL 43.380 0.828 10 20 [*********+*******-**]
1 49 ILE 38.436 0.778 10 18 "[*********+******* -2]"
1 50 GLU 33.146 0.734 15 12 "[** *.*- ** **+ * *2]"
1 54 TYR 32.937 0.604 20 12 "[ * *.* ***** -* * +]"
1 55 GLU 33.263 0.627 4 10 "[ +.****1**-*. * 2]"
1 56 ALA 43.119 0.795 9 20 [********+******-****]
1 58 CYS 32.937 0.604 20 12 "[ * *.* ***** -* * +]"
1 59 LYS 33.263 0.627 4 10 "[ +.****1**-*. * 2]"
1 60 ASP 43.119 0.795 9 20 [********+******-****]
1 62 ARG 29.819 0.733 12 8 "[* * *-*+ .* *2]"
1 63 TRP 36.489 0.677 3 19 "[**+**********-** ***]"
1 64 ALA 48.973 0.812 19 20 [*******-**********+*]
1 65 ARG 33.509 0.700 12 17 "[******* **+**** **-]"
1 66 VAL 29.819 0.733 12 8 "[* * *-*+ .* *2]"
1 67 ALA 36.489 0.677 3 19 "[**+**********-** ***]"
1 68 GLN 48.973 0.812 19 20 [*******-**********+*]
1 69 ARG 33.509 0.700 12 17 "[******* **+**** **-]"
1 78 ILE 37.579 0.726 5 19 "[****+*** ***-*******]"
1 79 GLY 49.178 0.815 9 20 [********+**********-]
1 80 SER 41.113 0.753 17 20 [****************+*-*]
1 81 LEU 40.457 0.753 19 20 [-*****************+*]
1 82 LEU 73.772 0.737 7 19 "[******+* ***-*******]"
1 83 ARG 86.768 0.815 9 20 [********+**********-]
1 84 SER 59.292 0.753 17 20 [****************+*-*]
1 85 HIS 58.812 0.753 19 20 [-*****************+*]
1 86 TYR 36.193 0.737 7 18 "[******+* **** **-***]"
1 87 GLU 37.590 0.802 19 16 "[******** *-* ** *+*]"
1 88 ARG 18.179 0.581 19 4 "[ . *1 *. +-]"
1 89 ILE 18.355 0.453 18 0 "[ . 1 . 2]"
1 91 TYR 49.105 0.799 17 20 [**********-*****+***]
1 92 PRO 25.258 0.649 3 6 "[ +*. 1 *.*- *2]"
1 93 TYR 37.749 0.650 19 16 "[ **** ***1-****** +*]"
1 95 MET 49.105 0.799 17 20 [**********-*****+***]
1 96 PHE 25.258 0.649 3 6 "[ +*. 1 *.*- *2]"
1 97 GLN 37.749 0.650 19 16 "[ **** ***1-****** +*]"
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 42 TYR O 1 46 LYS H . . 1.700 2.136 1.978 2.232 0.532 5 3 "[ + * 1- . 2]" 2
2 1 42 TYR C 1 46 LYS H . . 2.600 3.286 3.094 3.424 0.824 5 18 "[ * *+******-********]" 2
3 1 42 TYR O 1 46 LYS N . . 2.600 3.089 2.919 3.191 0.591 5 11 "[ * + * -** **.** *]" 2
4 1 42 TYR C 1 46 LYS N . . 3.600 4.244 4.060 4.375 0.775 5 17 "[ * *+****** **-*****]" 2
5 1 43 SER O 1 47 ILE H . . 1.700 1.818 1.791 1.947 0.247 17 0 "[ . 1 . 2]" 2
6 1 43 SER C 1 47 ILE H . . 2.600 3.026 2.959 3.146 0.546 17 2 "[ . - 1 . + 2]" 2
7 1 43 SER O 1 47 ILE N . . 2.600 2.768 2.629 2.899 0.299 17 0 "[ . 1 . 2]" 2
8 1 43 SER C 1 47 ILE N . . 3.600 3.986 3.842 4.112 0.512 17 2 "[ . - 1 . + 2]" 2
9 1 44 LEU O 1 48 VAL H . . 1.700 2.118 1.979 2.201 0.501 18 1 "[ . 1 . + 2]" 2
10 1 44 LEU C 1 48 VAL H . . 2.600 3.272 3.151 3.428 0.828 10 20 [********-+**********] 2
11 1 44 LEU O 1 48 VAL N . . 2.600 3.053 2.938 3.150 0.550 15 6 "[* . ** - +* 2]" 2
12 1 44 LEU C 1 48 VAL N . . 3.600 4.227 4.089 4.344 0.744 15 19 "[******** ****-+*****]" 2
13 1 45 SER O 1 49 ILE H . . 1.700 2.034 1.803 2.199 0.499 6 0 "[ . 1 . 2]" 2
14 1 45 SER C 1 49 ILE H . . 2.600 3.229 2.962 3.378 0.778 10 18 "[*-*******+******* *2]" 2
15 1 45 SER O 1 49 ILE N . . 2.600 2.976 2.757 3.116 0.516 10 2 "[ - + . 2]" 2
16 1 45 SER C 1 49 ILE N . . 3.600 4.183 3.936 4.331 0.731 10 15 "[* ***** +******* -2]" 2
17 1 46 LYS O 1 50 GLU H . . 1.700 1.987 1.798 2.169 0.469 13 0 "[ . 1 . 2]" 2
18 1 46 LYS C 1 50 GLU H . . 2.600 3.145 2.941 3.334 0.734 15 12 "[** *.*- ** **+ * *2]" 2
19 1 46 LYS O 1 50 GLU N . . 2.600 2.922 2.711 3.121 0.521 13 1 "[ . 1 + . 2]" 2
20 1 46 LYS C 1 50 GLU N . . 3.600 4.103 3.895 4.308 0.708 15 12 "[** *.*- ** **+ * *2]" 2
21 1 54 TYR O 1 58 CYS H . . 1.700 2.070 1.835 2.209 0.509 9 1 "[ . +1 . 2]" 2
22 1 54 TYR C 1 58 CYS H . . 2.600 3.117 2.997 3.204 0.604 20 12 "[ * *.* **-** ** * +]" 2
23 1 54 TYR O 1 58 CYS N . . 2.600 2.918 2.731 3.041 0.441 4 0 "[ . 1 . 2]" 2
24 1 54 TYR C 1 58 CYS N . . 3.600 4.042 3.914 4.135 0.535 20 4 "[ . *1 -. * +]" 2
25 1 55 GLU O 1 59 LYS H . . 1.700 2.108 1.978 2.204 0.504 17 3 "[ . 1 -*. + 2]" 2
26 1 55 GLU C 1 59 LYS H . . 2.600 3.101 2.987 3.227 0.627 4 9 "[ +.*-**1** *. * 2]" 2
27 1 55 GLU O 1 59 LYS N . . 2.600 2.945 2.732 3.128 0.528 4 2 "[ +. - 1 . 2]" 2
28 1 55 GLU C 1 59 LYS N . . 3.600 4.010 3.872 4.196 0.596 4 3 "[ +. * 1 -. 2]" 2
29 1 56 ALA O 1 60 ASP H . . 1.700 2.108 1.984 2.224 0.524 9 1 "[ . +1 . 2]" 2
30 1 56 ALA C 1 60 ASP H . . 2.600 3.282 3.177 3.395 0.795 9 20 [***-****+***********] 2
31 1 56 ALA O 1 60 ASP N . . 2.600 3.033 2.919 3.151 0.551 9 5 "[ .* +1 * .- *]" 2
32 1 56 ALA C 1 60 ASP N . . 3.600 4.233 4.124 4.350 0.750 9 20 [***-****+***********] 2
33 1 62 ARG O 1 66 VAL H . . 1.700 1.942 1.797 2.148 0.448 12 0 "[ . 1 . 2]" 2
34 1 62 ARG C 1 66 VAL H . . 2.600 3.087 2.920 3.333 0.733 12 8 "[- * ***+ .* *2]" 2
35 1 62 ARG O 1 66 VAL N . . 2.600 2.904 2.751 3.125 0.525 12 2 "[ . - + . 2]" 2
36 1 62 ARG C 1 66 VAL N . . 3.600 4.058 3.879 4.296 0.696 12 7 "[ * **-+ .* *2]" 2
37 1 63 TRP O 1 67 ALA H . . 1.700 2.084 1.920 2.200 0.500 14 1 "[ . 1 +. 2]" 2
38 1 63 TRP C 1 67 ALA H . . 2.600 3.188 3.065 3.277 0.677 3 19 "[**+*-*********** ***]" 2
39 1 63 TRP O 1 67 ALA N . . 2.600 2.952 2.814 3.123 0.523 14 1 "[ . 1 +. 2]" 2
40 1 63 TRP C 1 67 ALA N . . 3.600 4.100 3.986 4.195 0.595 16 12 "[*** . -*1****.+ * *]" 2
41 1 64 ALA O 1 68 GLN H . . 1.700 2.187 2.083 2.214 0.514 19 7 "[ . -*1 **. * +*]" 2
42 1 64 ALA C 1 68 GLN H . . 2.600 3.317 3.246 3.412 0.812 19 20 [**********-*******+*] 2
43 1 64 ALA O 1 68 GLN N . . 2.600 3.155 3.063 3.181 0.581 19 18 "[*********1 ***-***+*]" 2
44 1 64 ALA C 1 68 GLN N . . 3.600 4.290 4.218 4.366 0.766 19 20 [**********-*******+*] 2
45 1 65 ARG O 1 69 ARG H . . 1.700 2.029 1.902 2.143 0.443 15 0 "[ . 1 . 2]" 2
46 1 65 ARG C 1 69 ARG H . . 2.600 3.185 3.079 3.300 0.700 12 17 "[******* **+**** **-]" 2
47 1 65 ARG O 1 69 ARG N . . 2.600 2.881 2.742 3.010 0.410 12 0 "[ . 1 . 2]" 2
48 1 65 ARG C 1 69 ARG N . . 3.600 4.081 3.957 4.226 0.626 12 6 "[- * 1 + ** *2]" 2
49 1 78 ILE O 1 82 LEU H . . 1.700 2.013 1.874 2.124 0.424 5 0 "[ . 1 . 2]" 2
50 1 78 ILE C 1 82 LEU H . . 2.600 3.212 3.073 3.326 0.726 5 19 "[****+-** ***********]" 2
51 1 78 ILE O 1 82 LEU N . . 2.600 2.971 2.836 3.078 0.478 5 0 "[ . 1 . 2]" 2
52 1 78 ILE C 1 82 LEU N . . 3.600 4.183 4.047 4.292 0.692 5 18 "[****+ ** ***-*******]" 2
53 1 79 GLY O 1 83 ARG H . . 1.700 2.169 2.033 2.213 0.513 9 5 "[ .* +1 . * *-]" 2
54 1 79 GLY C 1 83 ARG H . . 2.600 3.366 3.203 3.415 0.815 9 20 [********+***-*******] 2
55 1 79 GLY O 1 83 ARG N . . 2.600 3.123 2.964 3.176 0.576 9 16 "[ **-***+** *******]" 2
56 1 79 GLY C 1 83 ARG N . . 3.600 4.302 4.132 4.359 0.759 9 20 [********+***-*******] 2
57 1 80 SER O 1 84 SER H . . 1.700 2.067 1.940 2.169 0.469 17 0 "[ . 1 . 2]" 2
58 1 80 SER C 1 84 SER H . . 2.600 3.256 3.156 3.353 0.753 17 20 [****************+**-] 2
59 1 80 SER O 1 84 SER N . . 2.600 3.012 2.910 3.105 0.505 17 2 "[ . 1 . + -2]" 2
60 1 80 SER C 1 84 SER N . . 3.600 4.220 4.132 4.312 0.712 17 20 [****************+**-] 2
61 1 81 LEU O 1 85 HIS H . . 1.700 2.053 1.951 2.148 0.448 19 0 "[ . 1 . 2]" 2
62 1 81 LEU C 1 85 HIS H . . 2.600 3.259 3.180 3.353 0.753 19 20 [-*****************+*] 2
63 1 81 LEU O 1 85 HIS N . . 2.600 3.009 2.885 3.115 0.515 19 1 "[ . 1 . +2]" 2
64 1 81 LEU C 1 85 HIS N . . 3.600 4.202 4.100 4.302 0.702 19 20 [-*****************+*] 2
65 1 82 LEU O 1 86 TYR H . . 1.700 2.004 1.878 2.157 0.457 7 0 "[ . 1 . 2]" 2
66 1 82 LEU C 1 86 TYR H . . 2.600 3.213 3.087 3.337 0.737 7 18 "[******+* **** **-***]" 2
67 1 82 LEU O 1 86 TYR N . . 2.600 2.937 2.821 3.057 0.457 19 0 "[ . 1 . 2]" 2
68 1 82 LEU C 1 86 TYR N . . 3.600 4.156 4.032 4.269 0.669 19 16 "[******** *** *- *+*]" 2
69 1 83 ARG O 1 87 GLU H . . 1.700 2.069 1.828 2.221 0.521 19 2 "[ . 1- . +2]" 2
70 1 83 ARG C 1 87 GLU H . . 2.600 3.183 2.993 3.402 0.802 19 16 "[*******- *** ** *+*]" 2
71 1 83 ARG O 1 87 GLU N . . 2.600 2.997 2.796 3.190 0.590 19 4 "[- . ** . +2]" 2
72 1 83 ARG C 1 87 GLU N . . 3.600 4.131 3.941 4.349 0.749 19 13 "[* **-** *** ** +*]" 2
73 1 84 SER O 1 88 ARG H . . 1.700 1.907 1.798 2.098 0.398 9 0 "[ . 1 . 2]" 2
74 1 84 SER C 1 88 ARG H . . 2.600 3.073 2.993 3.181 0.581 19 4 "[ . *1 *. +-]" 2
75 1 84 SER O 1 88 ARG N . . 2.600 2.609 2.570 2.672 0.072 19 0 "[ . 1 . 2]" 2
76 1 84 SER C 1 88 ARG N . . 3.600 3.817 3.785 3.878 0.278 19 0 "[ . 1 . 2]" 2
77 1 85 HIS O 1 89 ILE H . . 1.700 1.881 1.789 2.153 0.453 18 0 "[ . 1 . 2]" 2
78 1 85 HIS C 1 89 ILE H . . 2.600 2.895 2.743 3.031 0.431 12 0 "[ . 1 . 2]" 2
79 1 85 HIS O 1 89 ILE N . . 2.600 2.796 2.592 2.995 0.395 12 0 "[ . 1 . 2]" 2
80 1 85 HIS C 1 89 ILE N . . 3.600 3.846 3.653 3.998 0.398 12 0 "[ . 1 . 2]" 2
81 1 91 TYR O 1 95 MET H . . 1.700 2.190 2.114 2.243 0.543 3 8 "[ +** * *- * * 2]" 2
82 1 91 TYR C 1 95 MET H . . 2.600 3.340 3.245 3.399 0.799 17 20 [********-*******+***] 2
83 1 91 TYR O 1 95 MET N . . 2.600 3.142 3.032 3.222 0.622 3 17 "[**+**** ****** **-*]" 2
84 1 91 TYR C 1 95 MET N . . 3.600 4.283 4.183 4.347 0.747 3 20 [**+****-************] 2
85 1 92 PRO O 1 96 PHE H . . 1.700 1.981 1.801 2.211 0.511 3 3 "[ + . 1 . - *2]" 2
86 1 92 PRO C 1 96 PHE H . . 2.600 3.002 2.822 3.249 0.649 3 5 "[ +*. 1 *.*- 2]" 2
87 1 92 PRO O 1 96 PHE N . . 2.600 2.843 2.599 3.070 0.470 17 0 "[ . 1 . 2]" 2
88 1 92 PRO C 1 96 PHE N . . 3.600 3.937 3.723 4.158 0.558 3 2 "[ +-. 1 . 2]" 2
89 1 93 TYR O 1 97 GLN H . . 1.700 2.158 1.882 2.211 0.511 7 9 "[ * * +* 1- * * * *2]" 2
90 1 93 TYR C 1 97 GLN H . . 2.600 3.094 2.808 3.250 0.650 19 11 "[ ***. **1 ***. * +-]" 2
91 1 93 TYR O 1 97 GLN N . . 2.600 3.073 2.760 3.164 0.564 3 11 "[ +*. **1****.- **]" 2
92 1 93 TYR C 1 97 GLN N . . 3.600 4.062 3.759 4.223 0.623 19 6 "[ * . -*1 ** . +2]" 2
stop_
save_
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