NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
404684 |
1x4a   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1x4a
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 985
_Distance_constraint_stats_list.Viol_count 1299
_Distance_constraint_stats_list.Viol_total 1491.683
_Distance_constraint_stats_list.Viol_max 0.779
_Distance_constraint_stats_list.Viol_rms 0.0280
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0038
_Distance_constraint_stats_list.Viol_average_violations_only 0.0574
_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 13 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 ILE 0.104 0.051 19 0 "[ . 1 . 2]"
1 15 ARG 0.714 0.115 7 0 "[ . 1 . 2]"
1 16 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 ASP 0.161 0.161 7 0 "[ . 1 . 2]"
1 23 CYS 1.698 0.255 5 0 "[ . 1 . 2]"
1 24 ARG 3.686 0.404 17 0 "[ . 1 . 2]"
1 25 ILE 0.179 0.015 20 0 "[ . 1 . 2]"
1 26 TYR 0.309 0.135 1 0 "[ . 1 . 2]"
1 27 VAL 0.157 0.010 20 0 "[ . 1 . 2]"
1 28 GLY 0.137 0.028 9 0 "[ . 1 . 2]"
1 29 ASN 2.619 0.477 8 0 "[ . 1 . 2]"
1 30 LEU 3.159 0.151 9 0 "[ . 1 . 2]"
1 31 PRO 0.306 0.020 20 0 "[ . 1 . 2]"
1 32 PRO 0.064 0.009 20 0 "[ . 1 . 2]"
1 33 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 ILE 2.029 0.116 6 0 "[ . 1 . 2]"
1 35 ARG 4.034 0.171 2 0 "[ . 1 . 2]"
1 36 THR 0.640 0.162 18 0 "[ . 1 . 2]"
1 37 LYS 1.968 0.315 2 0 "[ . 1 . 2]"
1 38 ASP 0.227 0.077 5 0 "[ . 1 . 2]"
1 39 ILE 0.449 0.039 12 0 "[ . 1 . 2]"
1 40 GLU 7.784 0.423 9 0 "[ . 1 . 2]"
1 41 ASP 4.781 0.423 9 0 "[ . 1 . 2]"
1 42 VAL 0.997 0.334 15 0 "[ . 1 . 2]"
1 43 PHE 0.487 0.050 16 0 "[ . 1 . 2]"
1 44 TYR 4.701 0.374 16 0 "[ . 1 . 2]"
1 45 LYS 6.821 0.779 18 3 "[* - 1 . + 2]"
1 46 TYR 2.787 0.371 14 0 "[ . 1 . 2]"
1 47 GLY 2.688 0.371 14 0 "[ . 1 . 2]"
1 48 ALA 1.981 0.163 7 0 "[ . 1 . 2]"
1 49 ILE 4.360 0.374 16 0 "[ . 1 . 2]"
1 50 ARG 0.242 0.032 12 0 "[ . 1 . 2]"
1 51 ASP 0.038 0.008 12 0 "[ . 1 . 2]"
1 52 ILE 1.365 0.090 1 0 "[ . 1 . 2]"
1 53 ASP 0.532 0.274 5 0 "[ . 1 . 2]"
1 54 LEU 1.898 0.162 18 0 "[ . 1 . 2]"
1 55 LYS 4.850 0.589 3 1 "[ + . 1 . 2]"
1 56 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 GLY 0.202 0.119 13 0 "[ . 1 . 2]"
1 61 PRO 0.550 0.160 3 0 "[ . 1 . 2]"
1 62 PRO 0.479 0.160 3 0 "[ . 1 . 2]"
1 63 PHE 1.669 0.589 3 1 "[ + . 1 . 2]"
1 64 ALA 0.164 0.026 3 0 "[ . 1 . 2]"
1 65 PHE 4.922 0.453 11 0 "[ . 1 . 2]"
1 66 VAL 4.109 0.453 11 0 "[ . 1 . 2]"
1 67 GLU 0.553 0.105 5 0 "[ . 1 . 2]"
1 68 PHE 0.866 0.255 5 0 "[ . 1 . 2]"
1 69 GLU 0.097 0.026 15 0 "[ . 1 . 2]"
1 70 ASP 0.038 0.020 7 0 "[ . 1 . 2]"
1 71 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 ARG 0.989 0.060 7 0 "[ . 1 . 2]"
1 73 ASP 0.011 0.004 8 0 "[ . 1 . 2]"
1 74 ALA 0.028 0.008 4 0 "[ . 1 . 2]"
1 75 GLU 0.984 0.142 5 0 "[ . 1 . 2]"
1 76 ASP 0.101 0.013 16 0 "[ . 1 . 2]"
1 77 ALA 0.561 0.201 12 0 "[ . 1 . 2]"
1 78 VAL 1.117 0.103 3 0 "[ . 1 . 2]"
1 79 TYR 0.670 0.058 5 0 "[ . 1 . 2]"
1 80 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 ARG 1.090 0.334 15 0 "[ . 1 . 2]"
1 82 ASP 0.164 0.027 16 0 "[ . 1 . 2]"
1 83 GLY 0.015 0.006 20 0 "[ . 1 . 2]"
1 84 TYR 0.148 0.027 16 0 "[ . 1 . 2]"
1 85 ASP 0.563 0.130 12 0 "[ . 1 . 2]"
1 86 TYR 0.424 0.130 12 0 "[ . 1 . 2]"
1 87 ASP 0.652 0.203 9 0 "[ . 1 . 2]"
1 88 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 TYR 0.267 0.033 20 0 "[ . 1 . 2]"
1 90 ARG 0.876 0.297 17 0 "[ . 1 . 2]"
1 91 LEU 0.414 0.090 6 0 "[ . 1 . 2]"
1 92 ARG 0.082 0.023 9 0 "[ . 1 . 2]"
1 93 VAL 0.294 0.024 17 0 "[ . 1 . 2]"
1 94 GLU 6.729 0.400 12 0 "[ . 1 . 2]"
1 95 PHE 13.008 0.410 12 0 "[ . 1 . 2]"
1 96 PRO 6.965 0.410 12 0 "[ . 1 . 2]"
1 97 ARG 1.717 0.236 13 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 85 ASP HA 1 86 TYR H . . 3.230 2.279 2.253 2.319 . 0 0 "[ . 1 . 2]" 1
2 1 54 LEU HA 1 55 LYS H . . 3.380 2.185 2.177 2.201 . 0 0 "[ . 1 . 2]" 1
3 1 52 ILE HA 1 53 ASP H . . 3.260 2.199 2.176 2.278 . 0 0 "[ . 1 . 2]" 1
4 1 50 ARG H 1 51 ASP H . . 3.870 2.256 1.999 2.596 . 0 0 "[ . 1 . 2]" 1
5 1 82 ASP HA 1 93 VAL H . . 3.890 2.007 1.941 2.266 . 0 0 "[ . 1 . 2]" 1
6 1 93 VAL H 1 93 VAL MG2 . . 3.680 2.236 2.026 2.629 . 0 0 "[ . 1 . 2]" 1
7 1 92 ARG HA 1 93 VAL H . . 3.210 2.260 2.228 2.273 . 0 0 "[ . 1 . 2]" 1
8 1 67 GLU HA 1 68 PHE H . . 3.510 2.234 2.201 2.307 . 0 0 "[ . 1 . 2]" 1
9 1 26 TYR HA 1 27 VAL H . . 3.310 2.211 2.195 2.240 . 0 0 "[ . 1 . 2]" 1
10 1 53 ASP HA 1 54 LEU H . . 3.100 2.261 2.252 2.286 . 0 0 "[ . 1 . 2]" 1
11 1 13 VAL HA 1 14 ILE H . . 3.490 2.412 2.184 3.176 . 0 0 "[ . 1 . 2]" 1
12 1 14 ILE H 1 14 ILE HB . . 4.090 3.029 2.411 3.909 . 0 0 "[ . 1 . 2]" 1
13 1 91 LEU HA 1 92 ARG H . . 3.300 2.405 2.310 2.513 . 0 0 "[ . 1 . 2]" 1
14 1 34 ILE HG13 1 35 ARG H . . 3.470 1.933 1.926 1.939 . 0 0 "[ . 1 . 2]" 1
15 1 89 TYR H 1 89 TYR QD . . 3.620 2.691 1.946 3.624 0.004 4 0 "[ . 1 . 2]" 1
16 1 89 TYR H 1 89 TYR HB2 . . 3.570 2.172 1.939 2.313 . 0 0 "[ . 1 . 2]" 1
17 1 89 TYR H 1 89 TYR HB3 . . 3.610 3.382 3.196 3.537 . 0 0 "[ . 1 . 2]" 1
18 1 83 GLY H 1 84 TYR H . . 3.740 2.085 1.903 2.326 . 0 0 "[ . 1 . 2]" 1
19 1 84 TYR H 1 84 TYR HB2 . . 3.440 2.542 2.164 2.794 . 0 0 "[ . 1 . 2]" 1
20 1 84 TYR H 1 84 TYR HB3 . . 3.480 2.257 2.155 2.486 . 0 0 "[ . 1 . 2]" 1
21 1 90 ARG H 1 90 ARG HB2 . . 3.500 2.629 2.049 3.585 0.085 15 0 "[ . 1 . 2]" 1
22 1 90 ARG H 1 90 ARG HB3 . . 3.490 3.070 2.359 3.505 0.015 20 0 "[ . 1 . 2]" 1
23 1 52 ILE H 1 52 ILE HB . . 3.540 2.662 2.600 2.709 . 0 0 "[ . 1 . 2]" 1
24 1 23 CYS H 1 24 ARG H . . 3.630 2.440 1.906 3.591 . 0 0 "[ . 1 . 2]" 1
25 1 43 PHE H 1 44 TYR H . . 3.290 2.557 2.374 2.710 . 0 0 "[ . 1 . 2]" 1
26 1 40 GLU H 1 40 GLU HB2 . . 3.100 3.034 2.990 3.120 0.020 6 0 "[ . 1 . 2]" 1
27 1 40 GLU H 1 52 ILE MD . . 3.420 3.369 3.215 3.428 0.008 13 0 "[ . 1 . 2]" 1
28 1 39 ILE H 1 40 GLU H . . 3.630 2.487 2.415 2.564 . 0 0 "[ . 1 . 2]" 1
29 1 40 GLU H 1 40 GLU HB3 . . 3.260 2.091 2.048 2.115 . 0 0 "[ . 1 . 2]" 1
30 1 72 ARG H 1 72 ARG HG3 . . 3.320 2.211 2.108 2.381 . 0 0 "[ . 1 . 2]" 1
31 1 72 ARG H 1 73 ASP H . . 3.560 3.045 2.824 3.239 . 0 0 "[ . 1 . 2]" 1
32 1 71 PRO HB2 1 72 ARG H . . 3.200 3.072 2.936 3.200 . 0 0 "[ . 1 . 2]" 1
33 1 72 ARG H 1 72 ARG HB2 . . 3.180 2.540 2.397 2.641 . 0 0 "[ . 1 . 2]" 1
34 1 94 GLU H 1 94 GLU HG3 . . 3.940 3.341 2.518 4.071 0.131 1 0 "[ . 1 . 2]" 1
35 1 33 ASP H 1 34 ILE H . . 3.690 3.102 2.758 3.184 . 0 0 "[ . 1 . 2]" 1
36 1 34 ILE H 1 34 ILE HB . . 3.260 2.662 2.488 2.701 . 0 0 "[ . 1 . 2]" 1
37 1 34 ILE H 1 34 ILE MG . . 3.290 2.097 1.955 2.274 . 0 0 "[ . 1 . 2]" 1
38 1 95 PHE H 1 95 PHE QD . . 3.780 3.060 2.543 3.402 . 0 0 "[ . 1 . 2]" 1
39 1 94 GLU HA 1 95 PHE H . . 3.280 2.403 2.318 2.651 . 0 0 "[ . 1 . 2]" 1
40 1 95 PHE H 1 95 PHE HB3 . . 3.460 3.401 3.312 3.452 . 0 0 "[ . 1 . 2]" 1
41 1 69 GLU HB2 1 70 ASP H . . 3.620 2.894 2.661 3.307 . 0 0 "[ . 1 . 2]" 1
42 1 94 GLU HB3 1 95 PHE H . . 3.720 3.974 3.623 4.120 0.400 12 0 "[ . 1 . 2]" 1
43 1 47 GLY HA2 1 48 ALA H . . 3.460 3.205 3.032 3.378 . 0 0 "[ . 1 . 2]" 1
44 1 47 GLY HA3 1 48 ALA H . . 3.410 2.223 2.200 2.290 . 0 0 "[ . 1 . 2]" 1
45 1 74 ALA H 1 75 GLU H . . 3.840 2.847 2.694 2.930 . 0 0 "[ . 1 . 2]" 1
46 1 73 ASP H 1 74 ALA H . . 3.530 2.615 2.319 2.862 . 0 0 "[ . 1 . 2]" 1
47 1 77 ALA MB 1 78 VAL H . . 3.710 2.343 2.190 2.495 . 0 0 "[ . 1 . 2]" 1
48 1 41 ASP H 1 42 VAL H . . 3.790 2.813 2.582 3.017 . 0 0 "[ . 1 . 2]" 1
49 1 38 ASP H 1 39 ILE H . . 3.630 2.827 2.740 2.922 . 0 0 "[ . 1 . 2]" 1
50 1 39 ILE H 1 39 ILE HG12 . . 3.510 3.511 3.457 3.526 0.016 13 0 "[ . 1 . 2]" 1
51 1 82 ASP HA 1 83 GLY H . . 3.520 2.304 2.254 2.343 . 0 0 "[ . 1 . 2]" 1
52 1 46 TYR H 1 47 GLY H . . 3.560 2.421 2.314 2.804 . 0 0 "[ . 1 . 2]" 1
53 1 46 TYR H 1 46 TYR HB3 . . 3.650 3.415 3.352 3.463 . 0 0 "[ . 1 . 2]" 1
54 1 69 GLU H 1 70 ASP H . . 3.970 2.508 2.350 2.755 . 0 0 "[ . 1 . 2]" 1
55 1 69 GLU H 1 69 GLU HB2 . . 3.710 2.277 2.194 2.408 . 0 0 "[ . 1 . 2]" 1
56 1 69 GLU H 1 69 GLU HB3 . . 3.780 3.519 3.478 3.551 . 0 0 "[ . 1 . 2]" 1
57 1 75 GLU H 1 75 GLU HB2 . . 3.230 2.458 2.275 2.564 . 0 0 "[ . 1 . 2]" 1
58 1 43 PHE H 1 43 PHE HB3 . . 3.760 3.408 3.381 3.429 . 0 0 "[ . 1 . 2]" 1
59 1 78 VAL HB 1 79 TYR H . . 3.750 3.771 3.747 3.808 0.058 5 0 "[ . 1 . 2]" 1
60 1 45 LYS H 1 45 LYS HB2 . . 3.570 3.412 2.715 3.542 . 0 0 "[ . 1 . 2]" 1
61 1 45 LYS H 1 45 LYS HB3 . . 3.530 2.368 2.105 3.527 . 0 0 "[ . 1 . 2]" 1
62 1 22 ASP HA 1 23 CYS H . . 3.550 2.371 2.252 2.806 . 0 0 "[ . 1 . 2]" 1
63 1 53 ASP HB2 1 65 PHE H . . 3.670 3.313 2.700 3.944 0.274 5 0 "[ . 1 . 2]" 1
64 1 64 ALA HA 1 65 PHE H . . 3.260 2.450 2.400 2.516 . 0 0 "[ . 1 . 2]" 1
65 1 62 PRO HA 1 63 PHE H . . 3.190 2.164 2.152 2.199 . 0 0 "[ . 1 . 2]" 1
66 1 80 GLY H 1 81 ARG H . . 3.820 2.678 2.356 3.108 . 0 0 "[ . 1 . 2]" 1
67 1 79 TYR H 1 80 GLY H . . 3.850 2.536 2.308 2.724 . 0 0 "[ . 1 . 2]" 1
68 1 50 ARG H 1 68 PHE HA . . 3.870 3.021 2.678 3.410 . 0 0 "[ . 1 . 2]" 1
69 1 49 ILE MD 1 50 ARG H . . 5.080 5.019 4.793 5.091 0.011 4 0 "[ . 1 . 2]" 1
70 1 48 ALA H 1 49 ILE H . . 4.490 4.470 4.393 4.491 0.001 13 0 "[ . 1 . 2]" 1
71 1 47 GLY H 1 48 ALA H . . 4.510 3.934 3.781 4.283 . 0 0 "[ . 1 . 2]" 1
72 1 46 TYR HB3 1 47 GLY H . . 4.030 3.124 2.842 4.401 0.371 14 0 "[ . 1 . 2]" 1
73 1 46 TYR HB2 1 47 GLY H . . 4.610 2.462 2.146 4.033 . 0 0 "[ . 1 . 2]" 1
74 1 45 LYS H 1 47 GLY H . . 4.600 4.545 4.395 4.606 0.006 12 0 "[ . 1 . 2]" 1
75 1 45 LYS HG3 1 46 TYR H . . 4.430 2.964 2.459 4.488 0.058 17 0 "[ . 1 . 2]" 1
76 1 45 LYS HB3 1 46 TYR H . . 4.750 4.106 3.966 4.347 . 0 0 "[ . 1 . 2]" 1
77 1 46 TYR H 1 46 TYR QD . . 3.480 2.739 2.319 3.138 . 0 0 "[ . 1 . 2]" 1
78 1 44 TYR QD 1 45 LYS H . . 4.620 4.067 2.614 4.502 . 0 0 "[ . 1 . 2]" 1
79 1 45 LYS H 1 46 TYR H . . 3.630 2.640 2.478 2.866 . 0 0 "[ . 1 . 2]" 1
80 1 44 TYR H 1 45 LYS H . . 4.010 2.794 2.633 2.992 . 0 0 "[ . 1 . 2]" 1
81 1 44 TYR H 1 49 ILE MD . . 4.270 2.885 2.591 3.162 . 0 0 "[ . 1 . 2]" 1
82 1 43 PHE HB2 1 44 TYR H . . 4.750 2.860 2.377 3.235 . 0 0 "[ . 1 . 2]" 1
83 1 43 PHE HB3 1 44 TYR H . . 4.210 3.604 3.196 3.953 . 0 0 "[ . 1 . 2]" 1
84 1 42 VAL MG2 1 43 PHE H . . 4.280 3.940 3.821 4.058 . 0 0 "[ . 1 . 2]" 1
85 1 42 VAL HB 1 43 PHE H . . 4.350 2.426 2.240 2.629 . 0 0 "[ . 1 . 2]" 1
86 1 43 PHE H 1 43 PHE QD . . 3.450 2.274 2.053 2.505 . 0 0 "[ . 1 . 2]" 1
87 1 42 VAL H 1 42 VAL MG1 . . 4.410 3.633 3.562 3.705 . 0 0 "[ . 1 . 2]" 1
88 1 41 ASP QB 1 42 VAL H . . 3.970 2.729 2.389 3.126 . 0 0 "[ . 1 . 2]" 1
89 1 40 GLU QG 1 41 ASP H . . 3.980 2.224 2.071 2.643 . 0 0 "[ . 1 . 2]" 1
90 1 38 ASP HA 1 41 ASP H . . 4.050 3.780 3.459 3.928 . 0 0 "[ . 1 . 2]" 1
91 1 37 LYS HB3 1 40 GLU H . . 4.910 4.889 4.840 4.933 0.023 15 0 "[ . 1 . 2]" 1
92 1 38 ASP H 1 40 GLU H . . 4.850 3.941 3.715 4.197 . 0 0 "[ . 1 . 2]" 1
93 1 40 GLU H 1 41 ASP H . . 3.640 2.788 2.607 2.922 . 0 0 "[ . 1 . 2]" 1
94 1 39 ILE H 1 39 ILE MD . . 3.890 3.289 3.053 3.545 . 0 0 "[ . 1 . 2]" 1
95 1 38 ASP HB2 1 39 ILE H . . 4.000 2.592 2.382 2.730 . 0 0 "[ . 1 . 2]" 1
96 1 38 ASP HB3 1 39 ILE H . . 4.080 3.597 3.383 3.803 . 0 0 "[ . 1 . 2]" 1
97 1 36 THR HA 1 39 ILE H . . 3.930 3.547 3.346 3.698 . 0 0 "[ . 1 . 2]" 1
98 1 35 ARG HB3 1 38 ASP H . . 3.820 2.851 2.443 3.312 . 0 0 "[ . 1 . 2]" 1
99 1 38 ASP H 1 38 ASP HB3 . . 4.090 3.551 3.506 3.563 . 0 0 "[ . 1 . 2]" 1
100 1 37 LYS H 1 38 ASP H . . 4.660 2.634 2.373 2.890 . 0 0 "[ . 1 . 2]" 1
101 1 34 ILE HB 1 35 ARG H . . 3.960 4.043 4.021 4.076 0.116 6 0 "[ . 1 . 2]" 1
102 1 35 ARG H 1 38 ASP HB3 . . 4.560 3.958 3.667 4.194 . 0 0 "[ . 1 . 2]" 1
103 1 35 ARG H 1 38 ASP H . . 4.160 3.998 3.834 4.157 . 0 0 "[ . 1 . 2]" 1
104 1 34 ILE H 1 34 ILE HG12 . . 4.800 4.717 4.661 4.754 . 0 0 "[ . 1 . 2]" 1
105 1 34 ILE H 1 35 ARG H . . 4.890 4.585 4.567 4.618 . 0 0 "[ . 1 . 2]" 1
106 1 30 LEU H 1 30 LEU MD1 . . 4.420 3.666 3.169 4.139 . 0 0 "[ . 1 . 2]" 1
107 1 30 LEU H 1 91 LEU MD2 . . 3.890 3.890 3.776 3.980 0.090 6 0 "[ . 1 . 2]" 1
108 1 30 LEU H 1 30 LEU HB2 . . 4.010 2.351 2.218 2.529 . 0 0 "[ . 1 . 2]" 1
109 1 30 LEU H 1 30 LEU HB3 . . 3.630 3.568 3.485 3.644 0.014 5 0 "[ . 1 . 2]" 1
110 1 30 LEU H 1 30 LEU HG . . 3.710 3.116 2.683 3.539 . 0 0 "[ . 1 . 2]" 1
111 1 29 ASN H 1 30 LEU H . . 3.910 2.880 2.622 3.337 . 0 0 "[ . 1 . 2]" 1
112 1 27 VAL MG1 1 28 GLY H . . 3.820 2.707 2.368 3.194 . 0 0 "[ . 1 . 2]" 1
113 1 28 GLY H 1 93 VAL MG2 . . 3.880 3.809 3.623 3.890 0.010 16 0 "[ . 1 . 2]" 1
114 1 28 GLY H 1 92 ARG QB . . 3.940 3.133 2.920 3.454 . 0 0 "[ . 1 . 2]" 1
115 1 27 VAL HA 1 28 GLY H . . 3.350 2.204 2.182 2.254 . 0 0 "[ . 1 . 2]" 1
116 1 27 VAL H 1 27 VAL MG1 . . 4.110 3.807 3.764 3.846 . 0 0 "[ . 1 . 2]" 1
117 1 27 VAL H 1 64 ALA H . . 4.580 3.074 2.880 3.308 . 0 0 "[ . 1 . 2]" 1
118 1 26 TYR H 1 26 TYR HB2 . . 4.070 2.911 2.726 3.088 . 0 0 "[ . 1 . 2]" 1
119 1 25 ILE H 1 25 ILE HG13 . . 3.850 2.522 2.309 2.809 . 0 0 "[ . 1 . 2]" 1
120 1 25 ILE H 1 25 ILE HB . . 4.170 3.710 3.607 3.816 . 0 0 "[ . 1 . 2]" 1
121 1 25 ILE H 1 67 GLU HA . . 4.130 3.472 3.211 3.806 . 0 0 "[ . 1 . 2]" 1
122 1 24 ARG H 1 24 ARG HG2 . . 4.140 2.431 1.955 4.060 . 0 0 "[ . 1 . 2]" 1
123 1 24 ARG H 1 24 ARG HG3 . . 3.920 3.274 2.185 3.800 . 0 0 "[ . 1 . 2]" 1
124 1 24 ARG H 1 24 ARG HB3 . . 3.690 3.007 2.553 3.751 0.061 18 0 "[ . 1 . 2]" 1
125 1 22 ASP HB3 1 24 ARG H . . 4.860 4.050 3.132 5.021 0.161 7 0 "[ . 1 . 2]" 1
126 1 23 CYS HB2 1 24 ARG H . . 4.280 3.621 2.297 4.278 . 0 0 "[ . 1 . 2]" 1
127 1 23 CYS HB3 1 24 ARG H . . 5.220 4.238 3.648 4.572 . 0 0 "[ . 1 . 2]" 1
128 1 22 ASP HA 1 24 ARG H . . 3.910 3.519 3.220 3.904 . 0 0 "[ . 1 . 2]" 1
129 1 24 ARG H 1 67 GLU HA . . 4.810 4.640 4.174 4.816 0.006 20 0 "[ . 1 . 2]" 1
130 1 24 ARG H 1 25 ILE H . . 4.620 4.445 4.265 4.582 . 0 0 "[ . 1 . 2]" 1
131 1 65 PHE H 1 65 PHE HB3 . . 3.600 3.569 3.454 3.642 0.042 6 0 "[ . 1 . 2]" 1
132 1 54 LEU HA 1 65 PHE H . . 4.370 3.651 3.530 4.046 . 0 0 "[ . 1 . 2]" 1
133 1 65 PHE H 1 65 PHE QD . . 4.210 2.575 2.052 3.248 . 0 0 "[ . 1 . 2]" 1
134 1 53 ASP H 1 65 PHE H . . 3.870 2.673 2.447 2.859 . 0 0 "[ . 1 . 2]" 1
135 1 14 ILE H 1 14 ILE MG . . 4.380 2.417 1.923 3.426 . 0 0 "[ . 1 . 2]" 1
136 1 14 ILE H 1 14 ILE QG . . 4.390 3.239 1.902 3.955 . 0 0 "[ . 1 . 2]" 1
137 1 52 ILE H 1 52 ILE MG . . 3.990 3.825 3.790 3.865 . 0 0 "[ . 1 . 2]" 1
138 1 52 ILE H 1 52 ILE MD . . 3.990 3.805 3.526 3.998 0.008 13 0 "[ . 1 . 2]" 1
139 1 51 ASP HB3 1 52 ILE H . . 4.330 3.617 3.234 4.054 . 0 0 "[ . 1 . 2]" 1
140 1 51 ASP H 1 52 ILE H . . 5.200 4.262 4.150 4.331 . 0 0 "[ . 1 . 2]" 1
141 1 52 ILE MG 1 54 LEU H . . 3.870 3.767 3.370 3.881 0.011 17 0 "[ . 1 . 2]" 1
142 1 54 LEU H 1 54 LEU HG . . 4.520 4.269 4.163 4.572 0.052 20 0 "[ . 1 . 2]" 1
143 1 54 LEU H 1 55 LYS H . . 4.320 4.385 4.348 4.441 0.121 13 0 "[ . 1 . 2]" 1
144 1 55 LYS H 1 55 LYS HB2 . . 4.000 2.277 2.117 2.612 . 0 0 "[ . 1 . 2]" 1
145 1 55 LYS H 1 55 LYS HG2 . . 4.140 3.416 2.761 4.159 0.019 14 0 "[ . 1 . 2]" 1
146 1 27 VAL MG2 1 64 ALA H . . 4.770 4.605 4.296 4.776 0.006 20 0 "[ . 1 . 2]" 1
147 1 63 PHE HB3 1 64 ALA H . . 3.920 3.927 3.911 3.946 0.026 3 0 "[ . 1 . 2]" 1
148 1 65 PHE HB2 1 66 VAL H . . 4.110 4.294 3.956 4.563 0.453 11 0 "[ . 1 . 2]" 1
149 1 25 ILE H 1 66 VAL H . . 4.180 3.083 2.454 3.738 . 0 0 "[ . 1 . 2]" 1
150 1 66 VAL MG2 1 67 GLU H . . 5.500 4.156 4.056 4.251 . 0 0 "[ . 1 . 2]" 1
151 1 67 GLU H 1 67 GLU HB2 . . 3.820 2.756 2.501 2.997 . 0 0 "[ . 1 . 2]" 1
152 1 67 GLU H 1 67 GLU QG . . 4.590 4.040 4.001 4.082 . 0 0 "[ . 1 . 2]" 1
153 1 51 ASP H 1 67 GLU H . . 4.280 2.895 2.685 3.063 . 0 0 "[ . 1 . 2]" 1
154 1 24 ARG HA 1 68 PHE H . . 4.030 3.403 3.032 3.721 . 0 0 "[ . 1 . 2]" 1
155 1 68 PHE H 1 68 PHE QD . . 3.990 2.979 2.507 3.500 . 0 0 "[ . 1 . 2]" 1
156 1 50 ARG QB 1 69 GLU H . . 4.790 4.132 3.823 4.397 . 0 0 "[ . 1 . 2]" 1
157 1 68 PHE HB2 1 69 GLU H . . 4.970 4.063 3.864 4.284 . 0 0 "[ . 1 . 2]" 1
158 1 68 PHE HB3 1 69 GLU H . . 3.850 2.760 2.488 3.099 . 0 0 "[ . 1 . 2]" 1
159 1 78 VAL MG1 1 95 PHE H . . 4.670 4.132 3.572 4.411 . 0 0 "[ . 1 . 2]" 1
160 1 71 PRO HD2 1 72 ARG H . . 4.020 2.310 2.268 2.369 . 0 0 "[ . 1 . 2]" 1
161 1 73 ASP HB3 1 74 ALA H . . 4.470 3.154 2.359 3.954 . 0 0 "[ . 1 . 2]" 1
162 1 73 ASP HB2 1 74 ALA H . . 3.800 2.664 2.138 3.699 . 0 0 "[ . 1 . 2]" 1
163 1 68 PHE HB3 1 74 ALA H . . 4.830 3.219 2.936 3.602 . 0 0 "[ . 1 . 2]" 1
164 1 71 PRO HA 1 74 ALA H . . 4.710 3.188 2.824 3.444 . 0 0 "[ . 1 . 2]" 1
165 1 75 GLU H 1 75 GLU HG3 . . 3.650 2.605 2.137 3.369 . 0 0 "[ . 1 . 2]" 1
166 1 75 GLU H 1 76 ASP H . . 3.530 2.602 2.353 2.841 . 0 0 "[ . 1 . 2]" 1
167 1 73 ASP H 1 75 GLU H . . 4.450 3.904 3.739 4.193 . 0 0 "[ . 1 . 2]" 1
168 1 76 ASP H 1 77 ALA H . . 3.120 2.821 2.611 2.934 . 0 0 "[ . 1 . 2]" 1
169 1 77 ALA H 1 78 VAL MG1 . . 4.730 4.216 3.916 4.366 . 0 0 "[ . 1 . 2]" 1
170 1 73 ASP HA 1 77 ALA H . . 4.610 3.846 3.694 4.194 . 0 0 "[ . 1 . 2]" 1
171 1 77 ALA H 1 78 VAL H . . 3.620 2.741 2.553 2.861 . 0 0 "[ . 1 . 2]" 1
172 1 25 ILE MG 1 78 VAL H . . 4.170 3.374 2.683 3.774 . 0 0 "[ . 1 . 2]" 1
173 1 78 VAL H 1 78 VAL MG2 . . 4.160 3.546 3.502 3.584 . 0 0 "[ . 1 . 2]" 1
174 1 78 VAL MG1 1 79 TYR H . . 4.380 2.065 1.922 2.167 . 0 0 "[ . 1 . 2]" 1
175 1 78 VAL MG2 1 79 TYR H . . 4.200 4.190 4.096 4.248 0.048 8 0 "[ . 1 . 2]" 1
176 1 79 TYR HB2 1 80 GLY H . . 4.170 3.037 2.281 3.413 . 0 0 "[ . 1 . 2]" 1
177 1 81 ARG H 1 93 VAL MG2 . . 4.540 4.470 4.308 4.563 0.023 17 0 "[ . 1 . 2]" 1
178 1 81 ARG H 1 81 ARG HG3 . . 5.190 3.498 3.372 3.633 . 0 0 "[ . 1 . 2]" 1
179 1 81 ARG H 1 81 ARG HG2 . . 3.740 2.107 1.904 2.380 . 0 0 "[ . 1 . 2]" 1
180 1 81 ARG H 1 81 ARG QD . . 3.830 3.497 2.360 3.698 . 0 0 "[ . 1 . 2]" 1
181 1 81 ARG H 1 81 ARG HB3 . . 3.760 3.570 3.533 3.577 . 0 0 "[ . 1 . 2]" 1
182 1 82 ASP H 1 93 VAL MG2 . . 4.940 3.237 2.022 3.502 . 0 0 "[ . 1 . 2]" 1
183 1 83 GLY H 1 93 VAL H . . 4.780 2.950 2.743 3.220 . 0 0 "[ . 1 . 2]" 1
184 1 84 TYR H 1 91 LEU MD1 . . 4.390 4.326 3.866 4.407 0.017 8 0 "[ . 1 . 2]" 1
185 1 82 ASP HA 1 84 TYR H . . 4.050 3.934 3.673 4.077 0.027 16 0 "[ . 1 . 2]" 1
186 1 84 TYR H 1 85 ASP H . . 4.640 4.603 4.576 4.651 0.011 19 0 "[ . 1 . 2]" 1
187 1 88 GLY H 1 89 TYR H . . 3.520 2.762 2.444 3.041 . 0 0 "[ . 1 . 2]" 1
188 1 89 TYR HB2 1 90 ARG H . . 4.810 4.393 3.999 4.531 . 0 0 "[ . 1 . 2]" 1
189 1 91 LEU H 1 91 LEU HB2 . . 3.800 2.612 2.455 2.754 . 0 0 "[ . 1 . 2]" 1
190 1 91 LEU H 1 91 LEU HG . . 3.640 2.395 1.950 2.682 . 0 0 "[ . 1 . 2]" 1
191 1 28 GLY H 1 92 ARG H . . 4.270 2.766 2.264 3.680 . 0 0 "[ . 1 . 2]" 1
192 1 92 ARG QB 1 93 VAL H . . 3.990 3.873 3.695 3.998 0.008 4 0 "[ . 1 . 2]" 1
193 1 92 ARG QG 1 93 VAL H . . 4.390 3.721 3.007 4.386 . 0 0 "[ . 1 . 2]" 1
194 1 82 ASP HB3 1 93 VAL H . . 5.500 4.735 4.493 4.956 . 0 0 "[ . 1 . 2]" 1
195 1 82 ASP HB2 1 93 VAL H . . 4.200 3.559 3.105 3.774 . 0 0 "[ . 1 . 2]" 1
196 1 94 GLU H 1 94 GLU HG2 . . 4.110 2.729 2.322 3.512 . 0 0 "[ . 1 . 2]" 1
197 1 26 TYR HB3 1 94 GLU H . . 4.720 3.505 3.177 3.957 . 0 0 "[ . 1 . 2]" 1
198 1 27 VAL HA 1 94 GLU H . . 4.270 3.641 3.300 3.891 . 0 0 "[ . 1 . 2]" 1
199 1 94 GLU H 1 95 PHE H . . 4.290 4.324 4.279 4.371 0.081 9 0 "[ . 1 . 2]" 1
200 1 26 TYR H 1 94 GLU H . . 3.720 3.281 2.817 3.724 0.004 6 0 "[ . 1 . 2]" 1
201 1 35 ARG H 1 35 ARG QG . . 3.460 3.246 3.049 3.458 . 0 0 "[ . 1 . 2]" 1
202 1 73 ASP HA 1 75 GLU H . . 4.090 3.886 3.745 4.025 . 0 0 "[ . 1 . 2]" 1
203 1 77 ALA MB 1 79 TYR H . . 4.730 4.130 4.076 4.200 . 0 0 "[ . 1 . 2]" 1
204 1 51 ASP H 1 67 GLU HB3 . . 5.500 2.631 2.183 2.854 . 0 0 "[ . 1 . 2]" 1
205 1 51 ASP HA 1 52 ILE H . . 2.990 2.449 2.360 2.507 . 0 0 "[ . 1 . 2]" 1
206 1 26 TYR HA 1 66 VAL H . . 5.350 3.514 3.160 3.821 . 0 0 "[ . 1 . 2]" 1
207 1 55 LYS H 1 63 PHE H . . 4.900 3.895 3.729 4.071 . 0 0 "[ . 1 . 2]" 1
208 1 23 CYS H 1 74 ALA MB . . 5.500 4.170 2.176 5.318 . 0 0 "[ . 1 . 2]" 1
209 1 26 TYR H 1 95 PHE HA . . 4.660 3.000 2.537 3.339 . 0 0 "[ . 1 . 2]" 1
210 1 26 TYR QD 1 27 VAL H . . 4.500 3.645 3.516 3.802 . 0 0 "[ . 1 . 2]" 1
211 1 26 TYR HB2 1 27 VAL H . . 4.540 4.224 4.099 4.332 . 0 0 "[ . 1 . 2]" 1
212 1 43 PHE QD 1 44 TYR H . . 4.490 4.387 4.177 4.493 0.003 3 0 "[ . 1 . 2]" 1
213 1 40 GLU QG 1 44 TYR H . . 5.500 3.688 3.280 4.100 . 0 0 "[ . 1 . 2]" 1
214 1 75 GLU H 1 75 GLU HG2 . . 3.760 3.067 2.540 3.762 0.002 3 0 "[ . 1 . 2]" 1
215 1 44 TYR H 1 44 TYR QD . . 3.840 3.852 3.819 3.893 0.053 18 0 "[ . 1 . 2]" 1
216 1 41 ASP HA 1 44 TYR QD . . 3.610 3.448 2.724 3.607 . 0 0 "[ . 1 . 2]" 1
217 1 79 TYR HA 1 79 TYR QD . . 3.290 2.468 1.984 3.090 . 0 0 "[ . 1 . 2]" 1
218 1 26 TYR HA 1 26 TYR QD . . 3.530 3.077 2.868 3.307 . 0 0 "[ . 1 . 2]" 1
219 1 26 TYR QD 1 94 GLU HG3 . . 3.570 2.905 2.150 3.705 0.135 1 0 "[ . 1 . 2]" 1
220 1 26 TYR QD 1 65 PHE QE . . 3.690 2.747 2.525 2.960 . 0 0 "[ . 1 . 2]" 1
221 1 43 PHE HA 1 46 TYR QD . . 3.570 2.474 2.198 2.707 . 0 0 "[ . 1 . 2]" 1
222 1 46 TYR QD 1 76 ASP HB3 . . 3.380 3.206 2.757 3.387 0.007 13 0 "[ . 1 . 2]" 1
223 1 84 TYR QD 1 91 LEU MD1 . . 3.330 1.980 1.812 2.139 . 0 0 "[ . 1 . 2]" 1
224 1 84 TYR HA 1 84 TYR QD . . 3.630 2.435 2.040 2.764 . 0 0 "[ . 1 . 2]" 1
225 1 43 PHE QD 1 68 PHE HZ . . 3.340 2.038 1.995 2.664 . 0 0 "[ . 1 . 2]" 1
226 1 39 ILE MG 1 43 PHE QD . . 3.290 2.664 2.372 2.942 . 0 0 "[ . 1 . 2]" 1
227 1 43 PHE HA 1 43 PHE QD . . 4.040 3.009 2.738 3.125 . 0 0 "[ . 1 . 2]" 1
228 1 42 VAL MG2 1 86 TYR QD . . 3.340 2.952 2.535 3.343 0.003 13 0 "[ . 1 . 2]" 1
229 1 86 TYR QD 1 91 LEU MD1 . . 3.530 2.906 2.358 3.487 . 0 0 "[ . 1 . 2]" 1
230 1 43 PHE QE 1 93 VAL MG2 . . 3.220 3.143 2.955 3.229 0.009 17 0 "[ . 1 . 2]" 1
231 1 27 VAL MG1 1 43 PHE QE . . 3.050 2.868 2.635 3.057 0.007 2 0 "[ . 1 . 2]" 1
232 1 43 PHE QE 1 81 ARG HG3 . . 3.490 2.785 2.254 3.219 . 0 0 "[ . 1 . 2]" 1
233 1 27 VAL MG2 1 43 PHE HZ . . 3.830 2.146 1.961 2.699 . 0 0 "[ . 1 . 2]" 1
234 1 27 VAL HA 1 93 VAL HA . . 3.510 2.384 2.290 2.497 . 0 0 "[ . 1 . 2]" 1
235 1 93 VAL HA 1 94 GLU H . . 3.070 2.200 2.184 2.238 . 0 0 "[ . 1 . 2]" 1
236 1 93 VAL HA 1 93 VAL MG1 . . 3.070 2.284 2.143 2.378 . 0 0 "[ . 1 . 2]" 1
237 1 65 PHE HA 1 66 VAL H . . 3.250 2.251 2.193 2.390 . 0 0 "[ . 1 . 2]" 1
238 1 26 TYR HA 1 65 PHE HA . . 3.910 2.348 2.171 2.524 . 0 0 "[ . 1 . 2]" 1
239 1 65 PHE HA 1 65 PHE QD . . 3.880 3.127 2.967 3.246 . 0 0 "[ . 1 . 2]" 1
240 1 24 ARG HA 1 25 ILE H . . 3.450 2.244 2.225 2.297 . 0 0 "[ . 1 . 2]" 1
241 1 30 LEU MD1 1 63 PHE HA . . 3.670 2.608 2.088 3.110 . 0 0 "[ . 1 . 2]" 1
242 1 46 TYR QE 1 81 ARG HG2 . . 3.870 2.594 2.238 3.185 . 0 0 "[ . 1 . 2]" 1
243 1 24 ARG HA 1 67 GLU HA . . 3.460 2.235 2.013 2.455 . 0 0 "[ . 1 . 2]" 1
244 1 32 PRO QD 1 89 TYR QE . . 3.530 2.843 2.503 3.195 . 0 0 "[ . 1 . 2]" 1
245 1 31 PRO HB3 1 89 TYR QE . . 3.820 3.328 2.608 3.558 . 0 0 "[ . 1 . 2]" 1
246 1 26 TYR QE 1 28 GLY HA2 . . 3.850 3.747 3.490 3.862 0.012 16 0 "[ . 1 . 2]" 1
247 1 26 TYR QE 1 63 PHE QD . . 3.620 2.363 2.029 2.702 . 0 0 "[ . 1 . 2]" 1
248 1 55 LYS H 1 64 ALA HA . . 3.970 2.931 2.738 3.112 . 0 0 "[ . 1 . 2]" 1
249 1 54 LEU HA 1 64 ALA HA . . 3.690 2.283 2.122 2.788 . 0 0 "[ . 1 . 2]" 1
250 1 34 ILE MD 1 35 ARG H . . 3.540 2.682 2.593 2.848 . 0 0 "[ . 1 . 2]" 1
251 1 34 ILE MD 1 86 TYR QD . . 3.600 3.108 2.535 3.338 . 0 0 "[ . 1 . 2]" 1
252 1 34 ILE MD 1 86 TYR QE . . 3.610 2.408 2.088 2.682 . 0 0 "[ . 1 . 2]" 1
253 1 31 PRO HD3 1 34 ILE MD . . 3.710 2.842 2.645 2.975 . 0 0 "[ . 1 . 2]" 1
254 1 31 PRO HD2 1 34 ILE MD . . 2.940 2.213 2.018 2.334 . 0 0 "[ . 1 . 2]" 1
255 1 34 ILE MD 1 38 ASP HB2 . . 3.240 2.974 2.677 3.144 . 0 0 "[ . 1 . 2]" 1
256 1 34 ILE HB 1 34 ILE MD . . 3.050 2.277 2.266 2.294 . 0 0 "[ . 1 . 2]" 1
257 1 25 ILE HA 1 25 ILE MD . . 4.190 4.094 4.013 4.137 . 0 0 "[ . 1 . 2]" 1
258 1 25 ILE MD 1 68 PHE QE . . 2.900 1.987 1.816 2.293 . 0 0 "[ . 1 . 2]" 1
259 1 25 ILE HB 1 25 ILE MD . . 3.120 2.143 2.003 2.251 . 0 0 "[ . 1 . 2]" 1
260 1 25 ILE MD 1 66 VAL HB . . 3.290 2.668 2.288 2.940 . 0 0 "[ . 1 . 2]" 1
261 1 25 ILE MD 1 27 VAL MG2 . . 3.420 2.881 2.455 3.324 . 0 0 "[ . 1 . 2]" 1
262 1 25 ILE MD 1 25 ILE MG . . 2.660 2.265 2.047 2.500 . 0 0 "[ . 1 . 2]" 1
263 1 49 ILE MD 1 52 ILE MD . . 2.400 2.126 1.943 2.282 . 0 0 "[ . 1 . 2]" 1
264 1 49 ILE MD 1 66 VAL MG1 . . 3.420 2.431 2.099 2.943 . 0 0 "[ . 1 . 2]" 1
265 1 44 TYR HA 1 49 ILE MD . . 3.440 3.321 2.838 3.446 0.006 5 0 "[ . 1 . 2]" 1
266 1 40 GLU HA 1 49 ILE MD . . 2.990 1.950 1.832 2.119 . 0 0 "[ . 1 . 2]" 1
267 1 43 PHE HB2 1 49 ILE MD . . 3.550 2.282 1.958 2.598 . 0 0 "[ . 1 . 2]" 1
268 1 49 ILE HB 1 49 ILE MD . . 3.170 2.157 2.081 2.253 . 0 0 "[ . 1 . 2]" 1
269 1 52 ILE HA 1 52 ILE MD . . 3.830 3.861 3.835 3.883 0.053 19 0 "[ . 1 . 2]" 1
270 1 40 GLU HB2 1 52 ILE MD . . 3.120 1.854 1.776 1.973 . 0 0 "[ . 1 . 2]" 1
271 1 40 GLU HB3 1 52 ILE MD . . 3.030 3.023 2.847 3.120 0.090 1 0 "[ . 1 . 2]" 1
272 1 52 ILE MD 1 66 VAL MG2 . . 3.970 3.306 2.855 3.572 . 0 0 "[ . 1 . 2]" 1
273 1 70 ASP H 1 70 ASP HB2 . . 3.630 2.518 2.297 2.738 . 0 0 "[ . 1 . 2]" 1
274 1 70 ASP H 1 70 ASP HB3 . . 3.740 3.559 3.106 3.760 0.020 7 0 "[ . 1 . 2]" 1
275 1 60 GLY HA3 1 61 PRO HD2 . . 3.160 2.272 2.203 2.604 . 0 0 "[ . 1 . 2]" 1
276 1 54 LEU H 1 54 LEU HB2 . . 3.480 3.082 2.541 3.235 . 0 0 "[ . 1 . 2]" 1
277 1 54 LEU HB2 1 54 LEU QD . . 3.230 2.085 1.933 2.546 . 0 0 "[ . 1 . 2]" 1
278 1 54 LEU HB3 1 54 LEU QD . . 3.080 2.016 1.955 2.073 . 0 0 "[ . 1 . 2]" 1
279 1 54 LEU H 1 54 LEU HB3 . . 3.670 2.422 2.363 2.590 . 0 0 "[ . 1 . 2]" 1
280 1 24 ARG HB3 1 24 ARG QD . . 3.260 2.374 1.971 3.259 . 0 0 "[ . 1 . 2]" 1
281 1 24 ARG HB2 1 24 ARG QD . . 3.480 2.723 2.087 3.370 . 0 0 "[ . 1 . 2]" 1
282 1 72 ARG HA 1 72 ARG QD . . 3.770 3.785 3.779 3.793 0.023 7 0 "[ . 1 . 2]" 1
283 1 72 ARG HB3 1 72 ARG QD . . 2.790 2.296 2.182 2.311 . 0 0 "[ . 1 . 2]" 1
284 1 72 ARG QD 1 72 ARG HG3 . . 2.440 2.448 2.434 2.500 0.060 7 0 "[ . 1 . 2]" 1
285 1 57 ARG QD 1 57 ARG HG3 . . 2.630 2.310 2.185 2.569 . 0 0 "[ . 1 . 2]" 1
286 1 35 ARG HD2 1 35 ARG QG . . 2.680 2.376 2.201 2.567 . 0 0 "[ . 1 . 2]" 1
287 1 50 ARG QD 1 69 GLU HA . . 3.560 3.451 3.084 3.567 0.007 18 0 "[ . 1 . 2]" 1
288 1 97 ARG HB2 1 97 ARG QD . . 2.960 2.525 2.046 3.196 0.236 13 0 "[ . 1 . 2]" 1
289 1 97 ARG QD 1 97 ARG QG . . 2.430 2.108 2.056 2.137 . 0 0 "[ . 1 . 2]" 1
290 1 50 ARG QD 1 67 GLU QG . . 3.610 3.216 2.080 3.611 0.001 16 0 "[ . 1 . 2]" 1
291 1 81 ARG HA 1 81 ARG QD . . 3.330 2.048 1.922 2.322 . 0 0 "[ . 1 . 2]" 1
292 1 42 VAL MG1 1 81 ARG QD . . 3.960 2.472 1.912 3.016 . 0 0 "[ . 1 . 2]" 1
293 1 50 ARG QB 1 50 ARG QD . . 2.490 1.997 1.943 2.130 . 0 0 "[ . 1 . 2]" 1
294 1 53 ASP H 1 53 ASP HB2 . . 3.720 2.346 2.103 2.671 . 0 0 "[ . 1 . 2]" 1
295 1 53 ASP H 1 53 ASP HB3 . . 3.790 3.237 2.776 3.671 . 0 0 "[ . 1 . 2]" 1
296 1 53 ASP HB3 1 65 PHE H . . 3.960 3.217 2.585 3.954 . 0 0 "[ . 1 . 2]" 1
297 1 55 LYS HE3 1 55 LYS HG2 . . 3.700 3.256 2.252 3.731 0.031 9 0 "[ . 1 . 2]" 1
298 1 55 LYS HE2 1 55 LYS HG3 . . 3.650 2.837 2.317 3.788 0.138 14 0 "[ . 1 . 2]" 1
299 1 37 LYS QE 1 37 LYS QG . . 3.420 2.096 1.963 2.203 . 0 0 "[ . 1 . 2]" 1
300 1 91 LEU HB2 1 91 LEU MD1 . . 3.130 2.253 2.119 2.381 . 0 0 "[ . 1 . 2]" 1
301 1 91 LEU HB3 1 91 LEU MD2 . . 3.070 2.310 2.162 2.496 . 0 0 "[ . 1 . 2]" 1
302 1 30 LEU HB3 1 30 LEU MD2 . . 3.670 2.244 2.172 2.327 . 0 0 "[ . 1 . 2]" 1
303 1 34 ILE MD 1 38 ASP HB3 . . 3.790 3.208 2.891 3.501 . 0 0 "[ . 1 . 2]" 1
304 1 43 PHE HB3 1 68 PHE HZ . . 3.600 2.033 1.995 2.212 . 0 0 "[ . 1 . 2]" 1
305 1 43 PHE H 1 43 PHE HB2 . . 3.610 2.106 2.050 2.169 . 0 0 "[ . 1 . 2]" 1
306 1 82 ASP H 1 82 ASP HB2 . . 3.590 2.681 2.463 3.137 . 0 0 "[ . 1 . 2]" 1
307 1 82 ASP H 1 82 ASP HB3 . . 3.430 2.350 2.202 3.207 . 0 0 "[ . 1 . 2]" 1
308 1 85 ASP H 1 85 ASP HB2 . . 3.390 3.089 2.348 3.450 0.060 18 0 "[ . 1 . 2]" 1
309 1 85 ASP H 1 85 ASP HB3 . . 3.430 2.784 2.202 3.405 . 0 0 "[ . 1 . 2]" 1
310 1 52 ILE HB 1 52 ILE MD . . 2.860 2.095 2.007 2.265 . 0 0 "[ . 1 . 2]" 1
311 1 26 TYR H 1 26 TYR HB3 . . 3.740 2.194 2.058 2.311 . 0 0 "[ . 1 . 2]" 1
312 1 38 ASP HA 1 41 ASP QB . . 3.280 3.091 2.813 3.249 . 0 0 "[ . 1 . 2]" 1
313 1 41 ASP H 1 41 ASP QB . . 3.400 2.259 2.148 2.671 . 0 0 "[ . 1 . 2]" 1
314 1 76 ASP H 1 76 ASP HB2 . . 3.470 2.303 2.154 2.427 . 0 0 "[ . 1 . 2]" 1
315 1 76 ASP HB2 1 77 ALA H . . 3.320 2.920 2.737 3.213 . 0 0 "[ . 1 . 2]" 1
316 1 49 ILE H 1 49 ILE HB . . 3.210 2.461 2.385 2.580 . 0 0 "[ . 1 . 2]" 1
317 1 25 ILE HB 1 26 TYR H . . 3.520 2.891 2.560 3.320 . 0 0 "[ . 1 . 2]" 1
318 1 73 ASP H 1 73 ASP HB2 . . 3.540 2.327 2.058 3.542 0.002 9 0 "[ . 1 . 2]" 1
319 1 73 ASP H 1 73 ASP HB3 . . 3.620 3.343 2.505 3.578 . 0 0 "[ . 1 . 2]" 1
320 1 87 ASP H 1 87 ASP HB3 . . 3.820 3.797 3.678 4.023 0.203 9 0 "[ . 1 . 2]" 1
321 1 33 ASP H 1 33 ASP HB2 . . 4.040 2.508 2.144 3.653 . 0 0 "[ . 1 . 2]" 1
322 1 86 TYR HB3 1 91 LEU MD2 . . 3.530 2.755 2.225 3.068 . 0 0 "[ . 1 . 2]" 1
323 1 84 TYR QD 1 86 TYR HB2 . . 3.840 2.689 2.243 3.144 . 0 0 "[ . 1 . 2]" 1
324 1 86 TYR HB2 1 91 LEU MD1 . . 3.780 2.030 1.921 2.246 . 0 0 "[ . 1 . 2]" 1
325 1 29 ASN HB2 1 29 ASN HD22 . . 3.680 3.703 3.447 4.157 0.477 8 0 "[ . 1 . 2]" 1
326 1 95 PHE H 1 95 PHE HB2 . . 3.770 2.096 1.962 2.226 . 0 0 "[ . 1 . 2]" 1
327 1 29 ASN HB3 1 29 ASN HD22 . . 4.010 3.726 3.449 4.140 0.130 7 0 "[ . 1 . 2]" 1
328 1 46 TYR H 1 46 TYR HB2 . . 3.690 2.106 2.032 2.173 . 0 0 "[ . 1 . 2]" 1
329 1 79 TYR H 1 79 TYR HB2 . . 3.600 1.989 1.884 2.207 . 0 0 "[ . 1 . 2]" 1
330 1 79 TYR H 1 79 TYR HB3 . . 3.490 3.313 3.195 3.435 . 0 0 "[ . 1 . 2]" 1
331 1 44 TYR H 1 44 TYR HB2 . . 3.370 2.132 1.975 2.696 . 0 0 "[ . 1 . 2]" 1
332 1 44 TYR H 1 44 TYR HB3 . . 3.300 2.592 2.008 2.813 . 0 0 "[ . 1 . 2]" 1
333 1 39 ILE HB 1 40 GLU H . . 3.910 3.046 2.749 3.303 . 0 0 "[ . 1 . 2]" 1
334 1 39 ILE HB 1 39 ILE MD . . 3.360 2.195 2.055 2.372 . 0 0 "[ . 1 . 2]" 1
335 1 75 GLU HB3 1 75 GLU HG2 . . 2.930 2.695 2.309 2.918 . 0 0 "[ . 1 . 2]" 1
336 1 75 GLU HB3 1 75 GLU HG3 . . 2.980 2.967 2.852 3.045 0.065 12 0 "[ . 1 . 2]" 1
337 1 40 GLU H 1 40 GLU QG . . 3.560 3.635 3.582 3.655 0.095 18 0 "[ . 1 . 2]" 1
338 1 40 GLU QG 1 49 ILE MD . . 3.230 2.112 1.905 2.460 . 0 0 "[ . 1 . 2]" 1
339 1 39 ILE H 1 39 ILE HB . . 3.560 2.414 2.331 2.489 . 0 0 "[ . 1 . 2]" 1
340 1 67 GLU HA 1 67 GLU QG . . 3.790 2.240 2.131 2.370 . 0 0 "[ . 1 . 2]" 1
341 1 69 GLU HA 1 69 GLU HG2 . . 3.670 2.675 2.490 2.764 . 0 0 "[ . 1 . 2]" 1
342 1 48 ALA MB 1 69 GLU HG2 . . 3.430 3.401 3.311 3.440 0.010 18 0 "[ . 1 . 2]" 1
343 1 69 GLU HA 1 69 GLU HG3 . . 3.690 3.668 3.624 3.716 0.026 15 0 "[ . 1 . 2]" 1
344 1 50 ARG QB 1 67 GLU QG . . 3.230 2.465 2.097 3.025 . 0 0 "[ . 1 . 2]" 1
345 1 36 THR HA 1 39 ILE MD . . 3.380 2.473 2.016 3.171 . 0 0 "[ . 1 . 2]" 1
346 1 36 THR HA 1 52 ILE MG . . 3.350 3.040 2.852 3.358 0.008 14 0 "[ . 1 . 2]" 1
347 1 78 VAL HA 1 93 VAL MG1 . . 3.020 1.949 1.770 2.289 . 0 0 "[ . 1 . 2]" 1
348 1 78 VAL HA 1 78 VAL MG1 . . 3.180 3.169 3.161 3.183 0.003 9 0 "[ . 1 . 2]" 1
349 1 93 VAL H 1 93 VAL HB . . 3.820 2.593 2.391 2.707 . 0 0 "[ . 1 . 2]" 1
350 1 82 ASP HB2 1 93 VAL HB . . 3.420 2.506 2.166 2.819 . 0 0 "[ . 1 . 2]" 1
351 1 82 ASP HA 1 93 VAL HB . . 3.630 2.155 1.993 2.339 . 0 0 "[ . 1 . 2]" 1
352 1 27 VAL H 1 27 VAL HB . . 3.700 2.545 2.451 2.639 . 0 0 "[ . 1 . 2]" 1
353 1 25 ILE HG12 1 66 VAL HB . . 3.360 2.863 2.439 3.177 . 0 0 "[ . 1 . 2]" 1
354 1 71 PRO HA 1 74 ALA MB . . 3.690 2.146 1.946 2.391 . 0 0 "[ . 1 . 2]" 1
355 1 42 VAL HA 1 42 VAL MG2 . . 3.060 2.199 2.059 2.273 . 0 0 "[ . 1 . 2]" 1
356 1 42 VAL HA 1 42 VAL MG1 . . 3.390 2.573 2.438 2.667 . 0 0 "[ . 1 . 2]" 1
357 1 24 ARG H 1 24 ARG HB2 . . 3.750 3.350 2.328 3.759 0.009 16 0 "[ . 1 . 2]" 1
358 1 24 ARG HB3 1 24 ARG HG3 . . 2.930 2.991 2.870 3.057 0.127 12 0 "[ . 1 . 2]" 1
359 1 30 LEU MD1 1 62 PRO HB2 . . 3.860 3.638 3.314 3.864 0.004 6 0 "[ . 1 . 2]" 1
360 1 39 ILE HA 1 39 ILE MG . . 2.990 2.384 2.280 2.520 . 0 0 "[ . 1 . 2]" 1
361 1 62 PRO HB3 1 63 PHE H . . 4.010 3.956 3.814 4.031 0.021 13 0 "[ . 1 . 2]" 1
362 1 54 LEU QD 1 62 PRO HB3 . . 3.840 3.451 3.162 3.659 . 0 0 "[ . 1 . 2]" 1
363 1 32 PRO HA 1 62 PRO HD3 . . 3.970 3.935 3.239 3.979 0.009 20 0 "[ . 1 . 2]" 1
364 1 32 PRO HA 1 62 PRO QG . . 3.050 2.536 2.395 2.920 . 0 0 "[ . 1 . 2]" 1
365 1 81 ARG HB3 1 93 VAL MG2 . . 3.500 2.050 1.791 2.502 . 0 0 "[ . 1 . 2]" 1
366 1 42 VAL H 1 42 VAL HB . . 3.060 2.211 2.097 2.415 . 0 0 "[ . 1 . 2]" 1
367 1 42 VAL HB 1 43 PHE QD . . 3.360 3.014 2.841 3.364 0.004 12 0 "[ . 1 . 2]" 1
368 1 32 PRO HB2 1 33 ASP H . . 3.560 3.514 3.443 3.556 . 0 0 "[ . 1 . 2]" 1
369 1 92 ARG H 1 92 ARG QB . . 3.490 2.502 2.353 2.602 . 0 0 "[ . 1 . 2]" 1
370 1 50 ARG H 1 50 ARG QB . . 3.390 2.232 2.157 2.292 . 0 0 "[ . 1 . 2]" 1
371 1 50 ARG QB 1 51 ASP H . . 3.680 2.741 2.395 2.984 . 0 0 "[ . 1 . 2]" 1
372 1 61 PRO HB2 1 62 PRO HD3 . . 3.680 3.338 3.076 3.840 0.160 3 0 "[ . 1 . 2]" 1
373 1 61 PRO HB3 1 62 PRO HD3 . . 3.530 3.309 3.124 3.684 0.154 3 0 "[ . 1 . 2]" 1
374 1 55 LYS HB2 1 55 LYS HG2 . . 2.850 2.798 2.522 2.914 0.064 16 0 "[ . 1 . 2]" 1
375 1 55 LYS H 1 55 LYS HB3 . . 3.770 3.523 3.408 3.697 . 0 0 "[ . 1 . 2]" 1
376 1 55 LYS HB3 1 55 LYS HG2 . . 2.940 2.734 2.333 2.931 . 0 0 "[ . 1 . 2]" 1
377 1 78 VAL H 1 78 VAL HB . . 3.030 2.079 2.055 2.121 . 0 0 "[ . 1 . 2]" 1
378 1 97 ARG HB3 1 97 ARG QD . . 3.550 2.510 1.980 3.252 . 0 0 "[ . 1 . 2]" 1
379 1 97 ARG HB3 1 97 ARG QG . . 2.400 2.395 2.185 2.570 0.170 7 0 "[ . 1 . 2]" 1
380 1 13 VAL HA 1 13 VAL MG1 . . 3.540 2.639 2.179 3.217 . 0 0 "[ . 1 . 2]" 1
381 1 48 ALA MB 1 69 GLU HB2 . . 3.810 3.733 3.391 3.814 0.004 9 0 "[ . 1 . 2]" 1
382 1 75 GLU H 1 75 GLU HB3 . . 3.590 3.579 3.532 3.614 0.024 17 0 "[ . 1 . 2]" 1
383 1 72 ARG HB2 1 72 ARG HG3 . . 2.600 2.380 2.378 2.385 . 0 0 "[ . 1 . 2]" 1
384 1 75 GLU HB3 1 76 ASP H . . 3.800 3.399 3.023 3.720 . 0 0 "[ . 1 . 2]" 1
385 1 40 GLU HB2 1 41 ASP H . . 3.650 3.889 3.802 4.073 0.423 9 0 "[ . 1 . 2]" 1
386 1 75 GLU HB2 1 76 ASP H . . 3.930 2.308 2.033 2.665 . 0 0 "[ . 1 . 2]" 1
387 1 72 ARG HB3 1 72 ARG HG2 . . 2.620 2.646 2.640 2.649 0.029 20 0 "[ . 1 . 2]" 1
388 1 72 ARG H 1 72 ARG HB3 . . 3.820 3.569 3.547 3.580 . 0 0 "[ . 1 . 2]" 1
389 1 52 ILE HA 1 52 ILE MG . . 3.190 2.416 2.317 2.515 . 0 0 "[ . 1 . 2]" 1
390 1 49 ILE HA 1 50 ARG H . . 3.190 2.288 2.219 2.388 . 0 0 "[ . 1 . 2]" 1
391 1 49 ILE HA 1 49 ILE HG13 . . 3.850 2.635 2.459 2.834 . 0 0 "[ . 1 . 2]" 1
392 1 49 ILE HA 1 49 ILE HG12 . . 3.720 2.741 2.582 3.076 . 0 0 "[ . 1 . 2]" 1
393 1 23 CYS HB2 1 67 GLU QG . . 3.850 3.198 2.277 3.839 . 0 0 "[ . 1 . 2]" 1
394 1 90 ARG HB2 1 90 ARG QD . . 3.790 2.782 2.020 3.276 . 0 0 "[ . 1 . 2]" 1
395 1 34 ILE HG12 1 34 ILE MG . . 3.000 2.233 2.147 2.329 . 0 0 "[ . 1 . 2]" 1
396 1 66 VAL HA 1 67 GLU H . . 3.120 2.211 2.185 2.251 . 0 0 "[ . 1 . 2]" 1
397 1 52 ILE HA 1 66 VAL HA . . 2.840 2.529 2.365 2.756 . 0 0 "[ . 1 . 2]" 1
398 1 14 ILE HA 1 14 ILE MG . . 3.590 2.773 2.115 3.215 . 0 0 "[ . 1 . 2]" 1
399 1 40 GLU HA 1 40 GLU QG . . 3.120 2.805 2.778 2.903 . 0 0 "[ . 1 . 2]" 1
400 1 40 GLU HA 1 52 ILE MD . . 3.240 2.533 2.149 2.947 . 0 0 "[ . 1 . 2]" 1
401 1 39 ILE H 1 39 ILE HG13 . . 3.620 2.102 1.951 2.244 . 0 0 "[ . 1 . 2]" 1
402 1 46 TYR HA 1 46 TYR QD . . 3.430 2.913 2.602 3.132 . 0 0 "[ . 1 . 2]" 1
403 1 49 ILE MG 1 52 ILE HG13 . . 3.570 1.946 1.852 2.083 . 0 0 "[ . 1 . 2]" 1
404 1 55 LYS HA 1 55 LYS HD3 . . 4.010 3.446 3.004 3.990 . 0 0 "[ . 1 . 2]" 1
405 1 49 ILE MG 1 52 ILE HG12 . . 4.090 2.482 2.248 2.832 . 0 0 "[ . 1 . 2]" 1
406 1 75 GLU HA 1 75 GLU HG2 . . 3.650 2.464 2.226 2.932 . 0 0 "[ . 1 . 2]" 1
407 1 75 GLU HA 1 75 GLU HG3 . . 3.510 3.341 2.635 3.652 0.142 5 0 "[ . 1 . 2]" 1
408 1 75 GLU HA 1 95 PHE HZ . . 3.540 2.351 2.153 2.880 . 0 0 "[ . 1 . 2]" 1
409 1 75 GLU HA 1 95 PHE QE . . 3.720 3.258 2.355 3.495 . 0 0 "[ . 1 . 2]" 1
410 1 75 GLU HA 1 78 VAL MG1 . . 4.030 2.240 1.988 2.416 . 0 0 "[ . 1 . 2]" 1
411 1 34 ILE HA 1 35 ARG H . . 3.070 2.388 2.380 2.408 . 0 0 "[ . 1 . 2]" 1
412 1 34 ILE HA 1 34 ILE HG13 . . 3.400 2.783 2.710 2.819 . 0 0 "[ . 1 . 2]" 1
413 1 34 ILE HA 1 34 ILE MD . . 3.050 1.963 1.950 1.968 . 0 0 "[ . 1 . 2]" 1
414 1 31 PRO HA 1 32 PRO QG . . 4.020 4.002 3.964 4.027 0.007 19 0 "[ . 1 . 2]" 1
415 1 34 ILE MG 1 62 PRO QG . . 3.430 2.550 2.230 2.722 . 0 0 "[ . 1 . 2]" 1
416 1 30 LEU MD1 1 62 PRO QG . . 3.980 3.917 3.517 3.997 0.017 3 0 "[ . 1 . 2]" 1
417 1 31 PRO HG2 1 34 ILE MD . . 3.920 1.951 1.914 2.035 . 0 0 "[ . 1 . 2]" 1
418 1 15 ARG HA 1 15 ARG QG . . 3.220 2.748 2.206 3.335 0.115 7 0 "[ . 1 . 2]" 1
419 1 14 ILE QG 1 15 ARG QG . . 2.400 2.246 1.972 2.379 . 0 0 "[ . 1 . 2]" 1
420 1 72 ARG H 1 72 ARG HG2 . . 3.820 2.942 2.760 3.182 . 0 0 "[ . 1 . 2]" 1
421 1 72 ARG HA 1 72 ARG HG3 . . 3.870 3.216 3.124 3.285 . 0 0 "[ . 1 . 2]" 1
422 1 50 ARG H 1 50 ARG QG . . 3.880 3.884 3.835 3.912 0.032 12 0 "[ . 1 . 2]" 1
423 1 50 ARG HA 1 50 ARG QG . . 3.370 2.491 2.181 2.568 . 0 0 "[ . 1 . 2]" 1
424 1 30 LEU HG 1 91 LEU MD2 . . 3.770 2.492 2.116 2.948 . 0 0 "[ . 1 . 2]" 1
425 1 72 ARG HA 1 72 ARG HB3 . . 2.990 2.579 2.540 2.631 . 0 0 "[ . 1 . 2]" 1
426 1 72 ARG HA 1 72 ARG HG2 . . 3.210 2.304 2.242 2.354 . 0 0 "[ . 1 . 2]" 1
427 1 69 GLU HA 1 69 GLU HB3 . . 2.930 2.619 2.538 2.677 . 0 0 "[ . 1 . 2]" 1
428 1 50 ARG QB 1 69 GLU HA . . 3.650 3.245 2.984 3.505 . 0 0 "[ . 1 . 2]" 1
429 1 72 ARG HA 1 72 ARG HB2 . . 3.060 3.056 3.046 3.061 0.001 9 0 "[ . 1 . 2]" 1
430 1 91 LEU HB2 1 91 LEU HG . . 3.010 2.501 2.393 2.622 . 0 0 "[ . 1 . 2]" 1
431 1 84 TYR HA 1 85 ASP H . . 2.960 2.398 2.246 2.531 . 0 0 "[ . 1 . 2]" 1
432 1 37 LYS HA 1 40 GLU HB2 . . 3.350 3.361 3.283 3.523 0.173 12 0 "[ . 1 . 2]" 1
433 1 37 LYS HA 1 40 GLU HB3 . . 3.630 2.003 1.969 2.041 . 0 0 "[ . 1 . 2]" 1
434 1 35 ARG HB3 1 35 ARG QG . . 2.400 2.511 2.251 2.571 0.171 2 0 "[ . 1 . 2]" 1
435 1 25 ILE HG13 1 66 VAL HB . . 3.570 2.181 1.999 2.342 . 0 0 "[ . 1 . 2]" 1
436 1 30 LEU HB3 1 30 LEU MD1 . . 3.430 2.552 2.450 2.644 . 0 0 "[ . 1 . 2]" 1
437 1 30 LEU HB2 1 30 LEU MD1 . . 3.430 2.188 2.034 2.277 . 0 0 "[ . 1 . 2]" 1
438 1 27 VAL MG1 1 30 LEU MD1 . . 3.160 2.142 1.826 2.363 . 0 0 "[ . 1 . 2]" 1
439 1 89 TYR HA 1 90 ARG H . . 3.050 2.231 2.188 2.338 . 0 0 "[ . 1 . 2]" 1
440 1 91 LEU HB3 1 91 LEU MD1 . . 3.650 2.450 2.360 2.563 . 0 0 "[ . 1 . 2]" 1
441 1 73 ASP HA 1 76 ASP HB2 . . 3.570 2.254 2.048 2.554 . 0 0 "[ . 1 . 2]" 1
442 1 93 VAL MG1 1 94 GLU H . . 3.550 2.645 2.372 2.952 . 0 0 "[ . 1 . 2]" 1
443 1 43 PHE HZ 1 93 VAL MG1 . . 3.380 2.111 1.917 2.766 . 0 0 "[ . 1 . 2]" 1
444 1 27 VAL MG2 1 93 VAL MG1 . . 3.230 2.123 1.932 2.722 . 0 0 "[ . 1 . 2]" 1
445 1 25 ILE MD 1 93 VAL MG1 . . 2.840 2.118 1.916 2.279 . 0 0 "[ . 1 . 2]" 1
446 1 37 LYS HA 1 37 LYS QG . . 3.880 2.042 1.980 2.121 . 0 0 "[ . 1 . 2]" 1
447 1 37 LYS HB3 1 37 LYS QG . . 2.550 2.254 2.179 2.571 0.021 2 0 "[ . 1 . 2]" 1
448 1 97 ARG HA 1 97 ARG HB2 . . 3.050 2.780 2.500 3.062 0.012 2 0 "[ . 1 . 2]" 1
449 1 97 ARG HA 1 97 ARG QG . . 3.300 2.314 1.971 3.344 0.044 17 0 "[ . 1 . 2]" 1
450 1 64 ALA H 1 64 ALA MB . . 3.650 2.734 2.598 2.777 . 0 0 "[ . 1 . 2]" 1
451 1 55 LYS H 1 64 ALA MB . . 3.870 3.267 2.927 3.515 . 0 0 "[ . 1 . 2]" 1
452 1 64 ALA MB 1 65 PHE H . . 3.530 2.544 2.411 2.631 . 0 0 "[ . 1 . 2]" 1
453 1 54 LEU HB2 1 64 ALA MB . . 3.770 2.111 1.825 2.933 . 0 0 "[ . 1 . 2]" 1
454 1 64 ALA MB 1 66 VAL MG2 . . 3.950 3.479 3.105 3.699 . 0 0 "[ . 1 . 2]" 1
455 1 45 LYS HD2 1 45 LYS HG2 . . 2.910 2.694 2.583 2.975 0.065 1 0 "[ . 1 . 2]" 1
456 1 30 LEU HA 1 30 LEU MD2 . . 3.390 2.275 2.094 2.377 . 0 0 "[ . 1 . 2]" 1
457 1 30 LEU HB2 1 30 LEU MD2 . . 3.050 3.181 3.160 3.201 0.151 9 0 "[ . 1 . 2]" 1
458 1 30 LEU MD2 1 91 LEU MD2 . . 2.790 1.783 1.676 1.985 . 0 0 "[ . 1 . 2]" 1
459 1 30 LEU MD2 1 34 ILE MD . . 2.920 2.472 2.274 2.745 . 0 0 "[ . 1 . 2]" 1
460 1 54 LEU QD 1 55 LYS H . . 3.410 2.929 1.953 3.314 . 0 0 "[ . 1 . 2]" 1
461 1 54 LEU HA 1 54 LEU QD . . 3.240 2.621 1.938 2.881 . 0 0 "[ . 1 . 2]" 1
462 1 54 LEU QD 1 62 PRO HB2 . . 3.770 2.677 2.413 3.130 . 0 0 "[ . 1 . 2]" 1
463 1 54 LEU QD 1 64 ALA MB . . 2.800 1.878 1.778 2.186 . 0 0 "[ . 1 . 2]" 1
464 1 86 TYR QD 1 91 LEU MD2 . . 3.830 3.657 3.379 3.838 0.008 5 0 "[ . 1 . 2]" 1
465 1 91 LEU H 1 91 LEU MD2 . . 3.770 3.403 2.973 3.774 0.004 15 0 "[ . 1 . 2]" 1
466 1 91 LEU HA 1 91 LEU MD2 . . 3.270 2.269 1.980 2.488 . 0 0 "[ . 1 . 2]" 1
467 1 91 LEU HB2 1 91 LEU MD2 . . 3.440 3.207 3.182 3.220 . 0 0 "[ . 1 . 2]" 1
468 1 91 LEU MD2 1 92 ARG H . . 3.890 3.690 3.456 3.859 . 0 0 "[ . 1 . 2]" 1
469 1 31 PRO HD3 1 91 LEU MD2 . . 3.950 2.098 1.937 2.314 . 0 0 "[ . 1 . 2]" 1
470 1 42 VAL H 1 42 VAL MG2 . . 3.060 2.503 2.192 2.768 . 0 0 "[ . 1 . 2]" 1
471 1 42 VAL MG2 1 86 TYR QE . . 3.510 2.659 2.047 3.390 . 0 0 "[ . 1 . 2]" 1
472 1 39 ILE HA 1 42 VAL MG2 . . 3.870 2.500 2.174 2.990 . 0 0 "[ . 1 . 2]" 1
473 1 45 LYS HB3 1 45 LYS HG2 . . 3.030 2.402 2.273 2.864 . 0 0 "[ . 1 . 2]" 1
474 1 36 THR HA 1 36 THR MG . . 3.390 2.288 2.187 2.436 . 0 0 "[ . 1 . 2]" 1
475 1 36 THR MG 1 54 LEU HB2 . . 3.750 3.105 2.135 3.603 . 0 0 "[ . 1 . 2]" 1
476 1 36 THR MG 1 52 ILE HB . . 3.250 2.042 1.899 2.234 . 0 0 "[ . 1 . 2]" 1
477 1 36 THR MG 1 54 LEU HB3 . . 3.500 3.294 2.735 3.662 0.162 18 0 "[ . 1 . 2]" 1
478 1 36 THR MG 1 52 ILE MD . . 2.990 2.208 1.956 2.728 . 0 0 "[ . 1 . 2]" 1
479 1 36 THR MG 1 52 ILE MG . . 2.790 1.704 1.631 1.774 . 0 0 "[ . 1 . 2]" 1
480 1 45 LYS H 1 45 LYS HG2 . . 3.920 2.996 1.957 3.674 . 0 0 "[ . 1 . 2]" 1
481 1 25 ILE MG 1 78 VAL MG1 . . 2.910 2.908 2.798 2.925 0.015 20 0 "[ . 1 . 2]" 1
482 1 54 LEU HA 1 64 ALA MB . . 3.360 1.884 1.805 1.971 . 0 0 "[ . 1 . 2]" 1
483 1 93 VAL HA 1 93 VAL MG2 . . 3.490 2.488 2.350 2.578 . 0 0 "[ . 1 . 2]" 1
484 1 27 VAL HA 1 93 VAL MG2 . . 3.790 3.078 2.700 3.368 . 0 0 "[ . 1 . 2]" 1
485 1 82 ASP HA 1 93 VAL MG2 . . 3.320 2.328 1.969 2.908 . 0 0 "[ . 1 . 2]" 1
486 1 91 LEU HB2 1 93 VAL MG2 . . 3.700 3.284 3.105 3.534 . 0 0 "[ . 1 . 2]" 1
487 1 81 ARG HB2 1 93 VAL MG2 . . 3.660 2.408 1.981 2.836 . 0 0 "[ . 1 . 2]" 1
488 1 91 LEU HB3 1 93 VAL MG2 . . 3.540 3.344 3.123 3.540 0.000 15 0 "[ . 1 . 2]" 1
489 1 43 PHE HZ 1 93 VAL MG2 . . 3.220 2.101 1.894 2.388 . 0 0 "[ . 1 . 2]" 1
490 1 78 VAL MG1 1 94 GLU HA . . 4.030 3.838 3.502 4.038 0.008 18 0 "[ . 1 . 2]" 1
491 1 78 VAL H 1 78 VAL MG1 . . 3.150 2.706 2.642 2.794 . 0 0 "[ . 1 . 2]" 1
492 1 68 PHE QD 1 74 ALA HA . . 3.690 2.530 2.321 3.281 . 0 0 "[ . 1 . 2]" 1
493 1 55 LYS HA 1 55 LYS HG3 . . 3.600 3.115 2.150 3.718 0.118 3 0 "[ . 1 . 2]" 1
494 1 29 ASN HA 1 61 PRO HG3 . . 4.050 3.432 3.000 3.936 . 0 0 "[ . 1 . 2]" 1
495 1 27 VAL HA 1 27 VAL MG1 . . 3.350 2.333 2.203 2.462 . 0 0 "[ . 1 . 2]" 1
496 1 27 VAL H 1 27 VAL MG2 . . 3.910 2.529 2.366 2.694 . 0 0 "[ . 1 . 2]" 1
497 1 27 VAL MG2 1 43 PHE QE . . 3.210 2.388 1.988 2.680 . 0 0 "[ . 1 . 2]" 1
498 1 27 VAL HA 1 27 VAL MG2 . . 3.380 2.437 2.313 2.533 . 0 0 "[ . 1 . 2]" 1
499 1 25 ILE HG13 1 27 VAL MG2 . . 3.350 3.282 3.047 3.360 0.010 11 0 "[ . 1 . 2]" 1
500 1 27 VAL MG2 1 93 VAL MG2 . . 2.620 2.524 2.254 2.628 0.008 16 0 "[ . 1 . 2]" 1
501 1 27 VAL MG2 1 66 VAL MG2 . . 3.020 2.158 1.929 2.365 . 0 0 "[ . 1 . 2]" 1
502 1 42 VAL MG1 1 84 TYR QD . . 3.740 3.498 2.955 3.737 . 0 0 "[ . 1 . 2]" 1
503 1 48 ALA HA 1 49 ILE H . . 2.870 2.416 2.291 2.527 . 0 0 "[ . 1 . 2]" 1
504 1 66 VAL MG1 1 67 GLU H . . 3.530 2.427 2.200 2.659 . 0 0 "[ . 1 . 2]" 1
505 1 66 VAL HA 1 66 VAL MG1 . . 3.220 2.333 2.187 2.424 . 0 0 "[ . 1 . 2]" 1
506 1 52 ILE HG13 1 66 VAL MG1 . . 3.710 3.087 2.693 3.400 . 0 0 "[ . 1 . 2]" 1
507 1 52 ILE MD 1 66 VAL MG1 . . 3.430 2.954 2.338 3.362 . 0 0 "[ . 1 . 2]" 1
508 1 52 ILE HG12 1 66 VAL MG1 . . 2.940 2.280 1.850 2.636 . 0 0 "[ . 1 . 2]" 1
509 1 49 ILE MG 1 66 VAL MG1 . . 3.100 2.025 1.783 2.394 . 0 0 "[ . 1 . 2]" 1
510 1 42 VAL MG1 1 43 PHE H . . 3.950 2.600 2.364 3.045 . 0 0 "[ . 1 . 2]" 1
511 1 42 VAL MG1 1 43 PHE QE . . 3.790 3.267 2.862 3.803 0.013 12 0 "[ . 1 . 2]" 1
512 1 78 VAL MG2 1 94 GLU HA . . 3.460 2.309 2.099 2.471 . 0 0 "[ . 1 . 2]" 1
513 1 78 VAL HA 1 78 VAL MG2 . . 3.340 2.135 2.023 2.231 . 0 0 "[ . 1 . 2]" 1
514 1 66 VAL H 1 66 VAL MG2 . . 3.940 2.548 2.117 2.773 . 0 0 "[ . 1 . 2]" 1
515 1 66 VAL HA 1 66 VAL MG2 . . 3.400 2.379 2.291 2.498 . 0 0 "[ . 1 . 2]" 1
516 1 52 ILE MG 1 66 VAL MG2 . . 2.760 2.304 2.062 2.634 . 0 0 "[ . 1 . 2]" 1
517 1 78 VAL MG2 1 93 VAL MG1 . . 3.610 1.761 1.671 1.877 . 0 0 "[ . 1 . 2]" 1
518 1 30 LEU HA 1 91 LEU MD2 . . 3.550 1.971 1.878 2.083 . 0 0 "[ . 1 . 2]" 1
519 1 34 ILE MG 1 62 PRO HB2 . . 3.490 2.931 2.713 3.009 . 0 0 "[ . 1 . 2]" 1
520 1 30 LEU HB2 1 34 ILE MG . . 3.610 3.226 2.928 3.530 . 0 0 "[ . 1 . 2]" 1
521 1 30 LEU MD1 1 34 ILE MG . . 2.950 2.929 2.812 2.962 0.012 17 0 "[ . 1 . 2]" 1
522 1 70 ASP HA 1 71 PRO HD2 . . 3.160 2.757 2.663 2.849 . 0 0 "[ . 1 . 2]" 1
523 1 70 ASP HA 1 71 PRO HD3 . . 3.140 2.053 2.008 2.104 . 0 0 "[ . 1 . 2]" 1
524 1 77 ALA H 1 77 ALA MB . . 2.980 1.991 1.950 2.057 . 0 0 "[ . 1 . 2]" 1
525 1 43 PHE QD 1 77 ALA MB . . 2.940 2.113 1.768 2.418 . 0 0 "[ . 1 . 2]" 1
526 1 43 PHE QE 1 77 ALA MB . . 2.940 2.469 1.997 2.945 0.005 9 0 "[ . 1 . 2]" 1
527 1 74 ALA HA 1 77 ALA MB . . 3.280 2.774 2.560 3.085 . 0 0 "[ . 1 . 2]" 1
528 1 46 TYR QD 1 77 ALA MB . . 3.510 3.190 2.848 3.522 0.012 16 0 "[ . 1 . 2]" 1
529 1 25 ILE MD 1 77 ALA MB . . 3.200 2.538 2.097 3.097 . 0 0 "[ . 1 . 2]" 1
530 1 34 ILE HG13 1 34 ILE MG . . 3.260 2.594 2.541 2.634 . 0 0 "[ . 1 . 2]" 1
531 1 95 PHE HA 1 96 PRO HD2 . . 3.400 2.633 2.579 2.649 . 0 0 "[ . 1 . 2]" 1
532 1 95 PHE HA 1 96 PRO HD3 . . 3.470 1.964 1.945 1.971 . 0 0 "[ . 1 . 2]" 1
533 1 48 ALA MB 1 49 ILE H . . 3.420 2.715 2.446 2.950 . 0 0 "[ . 1 . 2]" 1
534 1 48 ALA H 1 48 ALA MB . . 3.000 2.455 2.385 2.672 . 0 0 "[ . 1 . 2]" 1
535 1 48 ALA MB 1 69 GLU HG3 . . 3.210 2.877 2.049 3.210 . 0 0 "[ . 1 . 2]" 1
536 1 31 PRO HA 1 32 PRO QD . . 2.830 2.033 1.990 2.061 . 0 0 "[ . 1 . 2]" 1
537 1 31 PRO HB3 1 32 PRO QD . . 2.810 2.709 2.667 2.779 . 0 0 "[ . 1 . 2]" 1
538 1 39 ILE MG 1 43 PHE QE . . 3.620 2.582 2.282 2.872 . 0 0 "[ . 1 . 2]" 1
539 1 39 ILE HG13 1 39 ILE MG . . 3.740 3.217 3.179 3.239 . 0 0 "[ . 1 . 2]" 1
540 1 39 ILE MD 1 39 ILE MG . . 2.840 2.164 1.945 2.436 . 0 0 "[ . 1 . 2]" 1
541 1 39 ILE MG 1 66 VAL MG2 . . 3.290 2.486 2.098 2.834 . 0 0 "[ . 1 . 2]" 1
542 1 25 ILE H 1 25 ILE MG . . 3.570 2.978 2.608 3.201 . 0 0 "[ . 1 . 2]" 1
543 1 25 ILE MG 1 95 PHE QE . . 3.570 2.003 1.767 2.350 . 0 0 "[ . 1 . 2]" 1
544 1 25 ILE HA 1 25 ILE MG . . 3.300 2.268 2.072 2.384 . 0 0 "[ . 1 . 2]" 1
545 1 25 ILE HG12 1 25 ILE MG . . 3.070 2.242 2.101 2.393 . 0 0 "[ . 1 . 2]" 1
546 1 74 ALA H 1 74 ALA MB . . 3.280 2.015 1.937 2.141 . 0 0 "[ . 1 . 2]" 1
547 1 68 PHE HB2 1 74 ALA MB . . 3.950 2.013 1.811 2.215 . 0 0 "[ . 1 . 2]" 1
548 1 74 ALA MB 1 75 GLU H . . 3.500 2.812 2.636 2.975 . 0 0 "[ . 1 . 2]" 1
549 1 68 PHE QD 1 74 ALA MB . . 3.150 2.533 2.086 3.030 . 0 0 "[ . 1 . 2]" 1
550 1 74 ALA MB 1 95 PHE HZ . . 3.670 3.471 2.780 3.678 0.008 4 0 "[ . 1 . 2]" 1
551 1 23 CYS HA 1 74 ALA MB . . 3.610 2.326 1.877 3.094 . 0 0 "[ . 1 . 2]" 1
552 1 25 ILE MG 1 74 ALA MB . . 3.350 2.684 2.375 3.157 . 0 0 "[ . 1 . 2]" 1
553 1 49 ILE HG13 1 49 ILE MG . . 3.650 3.192 3.080 3.228 . 0 0 "[ . 1 . 2]" 1
554 1 49 ILE MG 1 50 ARG H . . 3.660 2.161 1.993 2.441 . 0 0 "[ . 1 . 2]" 1
555 1 49 ILE MG 1 51 ASP H . . 3.590 2.065 1.830 2.358 . 0 0 "[ . 1 . 2]" 1
556 1 49 ILE HA 1 49 ILE MG . . 3.500 2.427 2.325 2.524 . 0 0 "[ . 1 . 2]" 1
557 1 49 ILE MG 1 52 ILE MD . . 2.840 2.261 1.952 2.597 . 0 0 "[ . 1 . 2]" 1
558 1 49 ILE MD 1 49 ILE MG . . 2.790 2.279 2.060 2.657 . 0 0 "[ . 1 . 2]" 1
559 1 49 ILE HG12 1 49 ILE MG . . 3.370 2.295 2.115 2.389 . 0 0 "[ . 1 . 2]" 1
560 1 60 GLY HA2 1 61 PRO HD2 . . 3.450 3.396 2.920 3.569 0.119 13 0 "[ . 1 . 2]" 1
561 1 60 GLY HA3 1 61 PRO HD3 . . 3.510 2.458 2.273 2.953 . 0 0 "[ . 1 . 2]" 1
562 1 60 GLY HA2 1 61 PRO HD3 . . 3.270 2.582 2.133 2.779 . 0 0 "[ . 1 . 2]" 1
563 1 16 GLY HA2 1 17 PRO QD . . 2.740 2.084 1.884 2.709 . 0 0 "[ . 1 . 2]" 1
564 1 16 GLY HA3 1 17 PRO QD . . 2.960 2.482 1.982 2.777 . 0 0 "[ . 1 . 2]" 1
565 1 30 LEU HA 1 31 PRO HD3 . . 3.370 2.047 2.033 2.067 . 0 0 "[ . 1 . 2]" 1
566 1 30 LEU MD2 1 31 PRO HD2 . . 3.470 2.154 1.974 2.484 . 0 0 "[ . 1 . 2]" 1
567 1 52 ILE MG 1 53 ASP H . . 3.760 2.768 2.331 3.153 . 0 0 "[ . 1 . 2]" 1
568 1 52 ILE MD 1 52 ILE MG . . 2.400 2.278 1.935 2.410 0.010 17 0 "[ . 1 . 2]" 1
569 1 30 LEU MD2 1 31 PRO HD3 . . 3.590 2.244 1.977 2.546 . 0 0 "[ . 1 . 2]" 1
570 1 31 PRO HD2 1 34 ILE HB . . 3.670 2.038 1.991 2.197 . 0 0 "[ . 1 . 2]" 1
571 1 30 LEU HA 1 31 PRO HD2 . . 3.600 2.808 2.785 2.839 . 0 0 "[ . 1 . 2]" 1
572 1 49 ILE MG 1 50 ARG QB . . 5.250 3.659 3.580 3.820 . 0 0 "[ . 1 . 2]" 1
573 1 50 ARG QB 1 69 GLU HG2 . . 3.780 2.926 2.641 3.222 . 0 0 "[ . 1 . 2]" 1
574 1 50 ARG QB 1 51 ASP HB2 . . 4.470 4.010 3.705 4.346 . 0 0 "[ . 1 . 2]" 1
575 1 49 ILE HA 1 50 ARG QB . . 4.660 4.045 4.019 4.069 . 0 0 "[ . 1 . 2]" 1
576 1 50 ARG QB 1 68 PHE HA . . 3.920 3.793 3.502 3.928 0.008 20 0 "[ . 1 . 2]" 1
577 1 49 ILE HA 1 49 ILE MD . . 4.230 3.833 3.780 3.885 . 0 0 "[ . 1 . 2]" 1
578 1 49 ILE HA 1 51 ASP H . . 4.400 4.056 3.892 4.310 . 0 0 "[ . 1 . 2]" 1
579 1 49 ILE HB 1 66 VAL MG1 . . 4.780 4.006 3.716 4.403 . 0 0 "[ . 1 . 2]" 1
580 1 40 GLU QG 1 49 ILE MG . . 4.780 4.365 4.036 4.779 . 0 0 "[ . 1 . 2]" 1
581 1 49 ILE MG 1 50 ARG HA . . 4.010 3.885 3.602 3.998 . 0 0 "[ . 1 . 2]" 1
582 1 49 ILE MG 1 51 ASP HA . . 3.810 3.102 3.002 3.366 . 0 0 "[ . 1 . 2]" 1
583 1 49 ILE H 1 49 ILE MG . . 4.090 3.737 3.676 3.808 . 0 0 "[ . 1 . 2]" 1
584 1 49 ILE MG 1 67 GLU H . . 4.440 2.702 2.477 3.045 . 0 0 "[ . 1 . 2]" 1
585 1 44 TYR QD 1 49 ILE MD . . 4.170 3.004 2.473 4.176 0.006 9 0 "[ . 1 . 2]" 1
586 1 43 PHE QD 1 49 ILE MD . . 4.410 3.718 3.142 3.958 . 0 0 "[ . 1 . 2]" 1
587 1 43 PHE H 1 49 ILE MD . . 4.610 3.530 3.231 3.801 . 0 0 "[ . 1 . 2]" 1
588 1 49 ILE H 1 49 ILE MD . . 4.260 3.570 2.789 3.935 . 0 0 "[ . 1 . 2]" 1
589 1 48 ALA HA 1 49 ILE HG12 . . 5.430 5.255 5.055 5.428 . 0 0 "[ . 1 . 2]" 1
590 1 48 ALA HA 1 49 ILE MD . . 4.830 4.284 3.643 4.605 . 0 0 "[ . 1 . 2]" 1
591 1 48 ALA MB 1 49 ILE HB . . 5.080 4.766 4.658 4.944 . 0 0 "[ . 1 . 2]" 1
592 1 47 GLY HA3 1 48 ALA MB . . 4.100 4.005 3.946 4.118 0.018 16 0 "[ . 1 . 2]" 1
593 1 47 GLY HA2 1 48 ALA MB . . 3.960 4.056 3.986 4.123 0.163 7 0 "[ . 1 . 2]" 1
594 1 45 LYS HA 1 46 TYR HA . . 4.540 4.606 4.574 4.680 0.140 17 0 "[ . 1 . 2]" 1
595 1 95 PHE HB2 1 96 PRO HD2 . . 3.740 4.086 4.017 4.150 0.410 12 0 "[ . 1 . 2]" 1
596 1 46 TYR HB3 1 68 PHE QE . . 3.980 3.621 3.152 3.936 . 0 0 "[ . 1 . 2]" 1
597 1 45 LYS HB2 1 45 LYS HE2 . . 4.520 3.245 2.316 5.085 0.565 1 1 "[+ . 1 . 2]" 1
598 1 45 LYS HB3 1 45 LYS HE3 . . 4.460 4.002 2.115 5.239 0.779 18 2 "[ - 1 . + 2]" 1
599 1 45 LYS H 1 45 LYS HG3 . . 4.140 2.954 2.403 3.681 . 0 0 "[ . 1 . 2]" 1
600 1 39 ILE HA 1 39 ILE HG12 . . 3.940 2.681 2.504 2.840 . 0 0 "[ . 1 . 2]" 1
601 1 45 LYS HE3 1 45 LYS HG3 . . 3.930 3.343 2.159 4.040 0.110 20 0 "[ . 1 . 2]" 1
602 1 45 LYS HE2 1 45 LYS HG3 . . 3.900 3.524 2.435 4.270 0.370 15 0 "[ . 1 . 2]" 1
603 1 44 TYR HB2 1 49 ILE MD . . 4.500 2.841 2.373 3.040 . 0 0 "[ . 1 . 2]" 1
604 1 40 GLU QG 1 44 TYR HB2 . . 4.390 2.579 2.272 3.020 . 0 0 "[ . 1 . 2]" 1
605 1 41 ASP HA 1 44 TYR HB2 . . 3.810 2.243 1.990 3.398 . 0 0 "[ . 1 . 2]" 1
606 1 44 TYR HB2 1 45 LYS H . . 4.210 3.919 3.629 4.250 0.040 9 0 "[ . 1 . 2]" 1
607 1 44 TYR HB3 1 49 ILE MD . . 4.120 4.233 3.383 4.494 0.374 16 0 "[ . 1 . 2]" 1
608 1 44 TYR HB3 1 45 LYS H . . 3.900 3.028 2.578 3.211 . 0 0 "[ . 1 . 2]" 1
609 1 43 PHE HB3 1 49 ILE MD . . 3.840 3.167 2.783 3.515 . 0 0 "[ . 1 . 2]" 1
610 1 42 VAL HB 1 43 PHE QE . . 4.480 4.466 4.338 4.504 0.024 15 0 "[ . 1 . 2]" 1
611 1 41 ASP QB 1 42 VAL MG2 . . 4.500 3.552 3.278 3.749 . 0 0 "[ . 1 . 2]" 1
612 1 40 GLU HB3 1 41 ASP H . . 4.150 2.637 2.540 2.865 . 0 0 "[ . 1 . 2]" 1
613 1 37 LYS HA 1 40 GLU QG . . 3.800 3.636 3.449 3.761 . 0 0 "[ . 1 . 2]" 1
614 1 39 ILE HA 1 39 ILE MD . . 3.870 3.874 3.814 3.909 0.039 12 0 "[ . 1 . 2]" 1
615 1 39 ILE HA 1 42 VAL HB . . 4.020 2.494 2.110 2.851 . 0 0 "[ . 1 . 2]" 1
616 1 39 ILE HA 1 43 PHE QD . . 4.110 3.881 3.373 4.133 0.023 18 0 "[ . 1 . 2]" 1
617 1 39 ILE HA 1 42 VAL H . . 4.080 3.612 3.369 3.840 . 0 0 "[ . 1 . 2]" 1
618 1 36 THR HA 1 39 ILE HB . . 3.590 2.764 2.533 2.979 . 0 0 "[ . 1 . 2]" 1
619 1 38 ASP HB2 1 39 ILE HB . . 5.090 4.762 4.529 4.917 . 0 0 "[ . 1 . 2]" 1
620 1 55 LYS HD3 1 63 PHE QE . . 4.050 3.605 2.360 4.639 0.589 3 1 "[ + . 1 . 2]" 1
621 1 39 ILE MG 1 66 VAL MG1 . . 4.580 3.790 3.373 4.264 . 0 0 "[ . 1 . 2]" 1
622 1 39 ILE H 1 39 ILE MG . . 4.420 3.713 3.692 3.730 . 0 0 "[ . 1 . 2]" 1
623 1 39 ILE MG 1 40 GLU H . . 4.560 3.812 3.650 3.953 . 0 0 "[ . 1 . 2]" 1
624 1 39 ILE MG 1 40 GLU HA . . 4.360 3.738 3.500 3.940 . 0 0 "[ . 1 . 2]" 1
625 1 38 ASP HB3 1 39 ILE HG13 . . 4.150 3.918 3.646 4.136 . 0 0 "[ . 1 . 2]" 1
626 1 38 ASP H 1 38 ASP HB2 . . 4.100 2.478 2.267 2.657 . 0 0 "[ . 1 . 2]" 1
627 1 35 ARG H 1 38 ASP HB2 . . 4.150 2.511 2.297 2.651 . 0 0 "[ . 1 . 2]" 1
628 1 63 PHE HB2 1 64 ALA H . . 3.880 2.769 2.702 2.851 . 0 0 "[ . 1 . 2]" 1
629 1 38 ASP HB2 1 39 ILE HG13 . . 3.780 2.913 2.699 3.079 . 0 0 "[ . 1 . 2]" 1
630 1 37 LYS HA 1 40 GLU H . . 3.820 3.019 2.939 3.215 . 0 0 "[ . 1 . 2]" 1
631 1 37 LYS HA 1 40 GLU HA . . 4.820 4.841 4.813 4.881 0.061 6 0 "[ . 1 . 2]" 1
632 1 37 LYS HB2 1 38 ASP H . . 4.490 3.324 2.516 3.621 . 0 0 "[ . 1 . 2]" 1
633 1 37 LYS HB3 1 38 ASP H . . 4.200 2.599 2.406 3.145 . 0 0 "[ . 1 . 2]" 1
634 1 37 LYS QG 1 38 ASP H . . 4.160 4.166 4.127 4.237 0.077 5 0 "[ . 1 . 2]" 1
635 1 37 LYS QG 1 40 GLU QG . . 4.270 3.436 3.165 4.295 0.025 5 0 "[ . 1 . 2]" 1
636 1 36 THR HA 1 52 ILE MD . . 4.100 3.818 3.493 4.087 . 0 0 "[ . 1 . 2]" 1
637 1 36 THR HA 1 39 ILE HG13 . . 4.370 3.897 3.577 4.174 . 0 0 "[ . 1 . 2]" 1
638 1 36 THR HB 1 52 ILE MG . . 4.160 4.116 3.896 4.183 0.023 14 0 "[ . 1 . 2]" 1
639 1 36 THR MG 1 54 LEU H . . 4.640 3.827 3.232 4.226 . 0 0 "[ . 1 . 2]" 1
640 1 34 ILE HA 1 34 ILE HG12 . . 4.250 3.678 3.630 3.703 . 0 0 "[ . 1 . 2]" 1
641 1 34 ILE HA 1 38 ASP HB2 . . 4.400 4.274 4.108 4.391 . 0 0 "[ . 1 . 2]" 1
642 1 30 LEU MD1 1 34 ILE HB . . 5.180 4.727 4.585 4.903 . 0 0 "[ . 1 . 2]" 1
643 1 34 ILE HG12 1 35 ARG H . . 4.180 3.644 3.635 3.654 . 0 0 "[ . 1 . 2]" 1
644 1 31 PRO HD2 1 34 ILE MG . . 4.380 2.887 2.786 3.023 . 0 0 "[ . 1 . 2]" 1
645 1 34 ILE MG 1 35 ARG H . . 4.240 3.472 3.256 3.558 . 0 0 "[ . 1 . 2]" 1
646 1 33 ASP H 1 34 ILE MG . . 5.060 4.370 4.289 4.469 . 0 0 "[ . 1 . 2]" 1
647 1 34 ILE MD 1 86 TYR HB3 . . 4.200 4.187 4.075 4.213 0.013 9 0 "[ . 1 . 2]" 1
648 1 33 ASP H 1 33 ASP HB3 . . 3.960 2.933 2.556 3.615 . 0 0 "[ . 1 . 2]" 1
649 1 32 PRO QG 1 33 ASP H . . 3.890 3.019 2.938 3.068 . 0 0 "[ . 1 . 2]" 1
650 1 32 PRO QD 1 33 ASP H . . 4.530 2.258 2.241 2.270 . 0 0 "[ . 1 . 2]" 1
651 1 30 LEU HA 1 31 PRO HG3 . . 4.380 4.303 4.291 4.320 . 0 0 "[ . 1 . 2]" 1
652 1 30 LEU MD1 1 31 PRO HD2 . . 4.720 3.999 3.794 4.187 . 0 0 "[ . 1 . 2]" 1
653 1 30 LEU MD1 1 64 ALA H . . 4.080 3.150 2.913 3.498 . 0 0 "[ . 1 . 2]" 1
654 1 30 LEU MD2 1 34 ILE HG13 . . 3.820 3.557 3.278 3.800 . 0 0 "[ . 1 . 2]" 1
655 1 29 ASN HB2 1 92 ARG H . . 4.200 2.673 2.186 3.440 . 0 0 "[ . 1 . 2]" 1
656 1 29 ASN HB3 1 91 LEU HA . . 4.400 2.507 1.997 3.238 . 0 0 "[ . 1 . 2]" 1
657 1 29 ASN HB3 1 92 ARG H . . 4.320 3.580 2.563 4.197 . 0 0 "[ . 1 . 2]" 1
658 1 27 VAL HB 1 66 VAL MG2 . . 5.140 3.602 3.367 3.816 . 0 0 "[ . 1 . 2]" 1
659 1 27 VAL HB 1 64 ALA H . . 4.280 3.491 3.230 3.686 . 0 0 "[ . 1 . 2]" 1
660 1 27 VAL HB 1 43 PHE QE . . 4.540 4.469 4.216 4.550 0.010 8 0 "[ . 1 . 2]" 1
661 1 27 VAL MG1 1 64 ALA H . . 5.210 4.494 4.209 4.782 . 0 0 "[ . 1 . 2]" 1
662 1 27 VAL MG1 1 30 LEU HG . . 3.690 2.360 1.976 2.591 . 0 0 "[ . 1 . 2]" 1
663 1 27 VAL MG1 1 66 VAL MG2 . . 4.110 4.062 3.872 4.120 0.010 20 0 "[ . 1 . 2]" 1
664 1 27 VAL MG2 1 66 VAL HB . . 3.770 3.525 3.183 3.771 0.001 10 0 "[ . 1 . 2]" 1
665 1 27 VAL MG2 1 93 VAL HA . . 4.270 3.273 3.035 3.513 . 0 0 "[ . 1 . 2]" 1
666 1 27 VAL MG2 1 28 GLY H . . 4.180 4.155 4.087 4.189 0.009 10 0 "[ . 1 . 2]" 1
667 1 26 TYR H 1 27 VAL MG2 . . 5.150 4.278 3.978 4.525 . 0 0 "[ . 1 . 2]" 1
668 1 26 TYR HB3 1 94 GLU HG3 . . 4.190 3.436 2.530 4.251 0.061 17 0 "[ . 1 . 2]" 1
669 1 25 ILE HG13 1 68 PHE QE . . 4.330 3.922 3.105 4.325 . 0 0 "[ . 1 . 2]" 1
670 1 25 ILE HG12 1 68 PHE QE . . 4.140 2.973 1.995 3.365 . 0 0 "[ . 1 . 2]" 1
671 1 25 ILE HG13 1 66 VAL H . . 4.480 2.732 2.436 3.046 . 0 0 "[ . 1 . 2]" 1
672 1 25 ILE HG12 1 66 VAL H . . 4.310 3.965 3.510 4.312 0.002 7 0 "[ . 1 . 2]" 1
673 1 25 ILE H 1 25 ILE HG12 . . 3.910 2.378 2.001 2.638 . 0 0 "[ . 1 . 2]" 1
674 1 25 ILE MG 1 95 PHE HA . . 4.410 3.606 2.950 4.284 . 0 0 "[ . 1 . 2]" 1
675 1 25 ILE MG 1 68 PHE QE . . 3.670 3.632 3.194 3.677 0.007 20 0 "[ . 1 . 2]" 1
676 1 25 ILE MG 1 95 PHE QD . . 3.930 2.700 2.288 3.240 . 0 0 "[ . 1 . 2]" 1
677 1 25 ILE MD 1 78 VAL HA . . 4.960 3.212 2.691 3.514 . 0 0 "[ . 1 . 2]" 1
678 1 25 ILE MD 1 78 VAL H . . 3.930 3.185 2.884 3.662 . 0 0 "[ . 1 . 2]" 1
679 1 25 ILE MD 1 43 PHE QD . . 4.000 2.864 2.558 3.313 . 0 0 "[ . 1 . 2]" 1
680 1 25 ILE MD 1 68 PHE QD . . 3.600 3.190 2.744 3.559 . 0 0 "[ . 1 . 2]" 1
681 1 25 ILE H 1 25 ILE MD . . 4.090 3.870 3.676 4.068 . 0 0 "[ . 1 . 2]" 1
682 1 25 ILE MD 1 66 VAL H . . 5.500 4.186 3.921 4.476 . 0 0 "[ . 1 . 2]" 1
683 1 25 ILE MD 1 66 VAL MG1 . . 4.320 3.184 2.923 3.423 . 0 0 "[ . 1 . 2]" 1
684 1 24 ARG HA 1 24 ARG HG3 . . 3.750 3.697 2.557 4.154 0.404 17 0 "[ . 1 . 2]" 1
685 1 24 ARG HA 1 67 GLU QG . . 5.150 3.287 2.840 3.741 . 0 0 "[ . 1 . 2]" 1
686 1 24 ARG HB2 1 25 ILE H . . 4.850 3.630 3.081 4.453 . 0 0 "[ . 1 . 2]" 1
687 1 24 ARG HB3 1 25 ILE H . . 4.430 4.115 3.412 4.432 0.002 6 0 "[ . 1 . 2]" 1
688 1 37 LYS HA 1 37 LYS HD3 . . 4.280 3.753 3.047 4.279 . 0 0 "[ . 1 . 2]" 1
689 1 23 CYS HB3 1 74 ALA MB . . 4.570 3.306 2.340 3.905 . 0 0 "[ . 1 . 2]" 1
690 1 23 CYS HB3 1 67 GLU QG . . 3.750 3.637 3.224 3.855 0.105 5 0 "[ . 1 . 2]" 1
691 1 23 CYS HB3 1 68 PHE HB2 . . 4.300 3.368 2.390 4.369 0.069 13 0 "[ . 1 . 2]" 1
692 1 23 CYS HB3 1 68 PHE H . . 3.990 3.353 2.709 4.245 0.255 5 0 "[ . 1 . 2]" 1
693 1 23 CYS HB2 1 74 ALA MB . . 4.560 4.200 3.589 4.564 0.004 9 0 "[ . 1 . 2]" 1
694 1 23 CYS H 1 23 CYS HB2 . . 3.900 3.024 2.373 4.073 0.173 5 0 "[ . 1 . 2]" 1
695 1 23 CYS HB2 1 68 PHE H . . 4.480 3.831 2.655 4.474 . 0 0 "[ . 1 . 2]" 1
696 1 22 ASP HB3 1 23 CYS H . . 4.800 3.587 2.019 4.454 . 0 0 "[ . 1 . 2]" 1
697 1 40 GLU QG 1 41 ASP QB . . 4.390 3.379 3.160 3.891 . 0 0 "[ . 1 . 2]" 1
698 1 75 GLU HA 1 78 VAL HB . . 3.780 3.393 3.242 3.626 . 0 0 "[ . 1 . 2]" 1
699 1 14 ILE HA 1 14 ILE QG . . 4.000 2.739 2.240 3.324 . 0 0 "[ . 1 . 2]" 1
700 1 50 ARG QG 1 51 ASP H . . 4.240 3.612 3.261 3.978 . 0 0 "[ . 1 . 2]" 1
701 1 50 ARG QG 1 67 GLU QG . . 3.950 3.327 2.825 3.761 . 0 0 "[ . 1 . 2]" 1
702 1 14 ILE MG 1 15 ARG HA . . 5.500 4.830 3.850 5.551 0.051 19 0 "[ . 1 . 2]" 1
703 1 14 ILE HA 1 14 ILE MD . . 4.500 3.861 3.535 4.131 . 0 0 "[ . 1 . 2]" 1
704 1 13 VAL H 1 13 VAL HB . . 3.930 3.226 2.295 3.918 . 0 0 "[ . 1 . 2]" 1
705 1 50 ARG QG 1 51 ASP HB2 . . 4.170 2.861 2.438 3.566 . 0 0 "[ . 1 . 2]" 1
706 1 51 ASP HB2 1 67 GLU HB3 . . 4.430 4.084 3.613 4.311 . 0 0 "[ . 1 . 2]" 1
707 1 51 ASP H 1 51 ASP HB2 . . 4.080 3.392 3.168 3.618 . 0 0 "[ . 1 . 2]" 1
708 1 51 ASP HB2 1 52 ILE H . . 4.320 4.068 3.911 4.232 . 0 0 "[ . 1 . 2]" 1
709 1 50 ARG QG 1 51 ASP HB3 . . 4.230 3.534 3.196 4.157 . 0 0 "[ . 1 . 2]" 1
710 1 51 ASP HB3 1 67 GLU HB3 . . 3.780 3.255 2.853 3.761 . 0 0 "[ . 1 . 2]" 1
711 1 51 ASP H 1 51 ASP HB3 . . 4.000 3.206 3.062 3.525 . 0 0 "[ . 1 . 2]" 1
712 1 51 ASP HB3 1 67 GLU H . . 4.320 4.299 4.210 4.328 0.008 12 0 "[ . 1 . 2]" 1
713 1 52 ILE HG12 1 66 VAL MG2 . . 4.470 2.502 2.123 2.751 . 0 0 "[ . 1 . 2]" 1
714 1 52 ILE HA 1 52 ILE HG12 . . 3.960 2.742 2.625 2.854 . 0 0 "[ . 1 . 2]" 1
715 1 52 ILE HG12 1 67 GLU H . . 4.630 3.859 3.556 4.093 . 0 0 "[ . 1 . 2]" 1
716 1 52 ILE H 1 52 ILE HG13 . . 4.450 3.050 2.933 3.226 . 0 0 "[ . 1 . 2]" 1
717 1 52 ILE HA 1 52 ILE HG13 . . 3.840 2.713 2.626 2.924 . 0 0 "[ . 1 . 2]" 1
718 1 52 ILE MG 1 66 VAL MG1 . . 4.680 3.621 3.246 3.964 . 0 0 "[ . 1 . 2]" 1
719 1 52 ILE MG 1 54 LEU HB2 . . 4.300 3.142 2.873 3.357 . 0 0 "[ . 1 . 2]" 1
720 1 36 THR HB 1 52 ILE MD . . 4.200 4.150 3.984 4.209 0.009 18 0 "[ . 1 . 2]" 1
721 1 54 LEU HB3 1 55 LYS H . . 4.580 4.424 4.282 4.470 . 0 0 "[ . 1 . 2]" 1
722 1 54 LEU HA 1 54 LEU HG . . 4.210 2.963 2.879 3.061 . 0 0 "[ . 1 . 2]" 1
723 1 36 THR HA 1 54 LEU QD . . 4.370 3.842 3.614 4.140 . 0 0 "[ . 1 . 2]" 1
724 1 54 LEU H 1 54 LEU QD . . 4.170 3.770 3.668 3.830 . 0 0 "[ . 1 . 2]" 1
725 1 54 LEU QD 1 63 PHE H . . 4.450 3.398 3.112 3.572 . 0 0 "[ . 1 . 2]" 1
726 1 54 LEU QD 1 64 ALA HA . . 3.970 3.591 3.226 3.820 . 0 0 "[ . 1 . 2]" 1
727 1 55 LYS HA 1 55 LYS HD2 . . 3.820 3.550 2.481 3.975 0.155 2 0 "[ . 1 . 2]" 1
728 1 55 LYS HB2 1 55 LYS HD3 . . 4.280 3.440 2.163 4.131 . 0 0 "[ . 1 . 2]" 1
729 1 55 LYS HB2 1 63 PHE QE . . 4.280 2.755 2.515 3.139 . 0 0 "[ . 1 . 2]" 1
730 1 55 LYS HB3 1 63 PHE QE . . 4.140 3.165 2.865 3.479 . 0 0 "[ . 1 . 2]" 1
731 1 55 LYS HB3 1 55 LYS HD3 . . 4.270 3.098 2.713 3.749 . 0 0 "[ . 1 . 2]" 1
732 1 55 LYS HG2 1 63 PHE QE . . 3.970 3.305 1.997 3.978 0.008 3 0 "[ . 1 . 2]" 1
733 1 55 LYS H 1 55 LYS HG3 . . 4.040 3.371 3.056 4.014 . 0 0 "[ . 1 . 2]" 1
734 1 55 LYS HG3 1 63 PHE QE . . 3.970 2.667 1.995 3.952 . 0 0 "[ . 1 . 2]" 1
735 1 56 ASN QB 1 57 ARG QB . . 4.420 3.886 3.208 4.158 . 0 0 "[ . 1 . 2]" 1
736 1 54 LEU HG 1 56 ASN QB . . 4.590 2.913 2.049 4.465 . 0 0 "[ . 1 . 2]" 1
737 1 54 LEU QD 1 56 ASN QB . . 4.220 2.258 1.776 3.009 . 0 0 "[ . 1 . 2]" 1
738 1 34 ILE MG 1 62 PRO HB3 . . 3.860 3.811 3.637 3.864 0.004 4 0 "[ . 1 . 2]" 1
739 1 35 ARG HB2 1 35 ARG HD2 . . 4.290 3.250 2.447 3.901 . 0 0 "[ . 1 . 2]" 1
740 1 35 ARG HB2 1 38 ASP H . . 4.420 2.501 2.247 2.740 . 0 0 "[ . 1 . 2]" 1
741 1 35 ARG H 1 35 ARG HB2 . . 4.200 2.579 2.507 2.667 . 0 0 "[ . 1 . 2]" 1
742 1 62 PRO HB2 1 63 PHE H . . 3.940 3.631 3.427 3.736 . 0 0 "[ . 1 . 2]" 1
743 1 27 VAL MG2 1 65 PHE HA . . 5.110 3.862 3.485 4.092 . 0 0 "[ . 1 . 2]" 1
744 1 27 VAL H 1 65 PHE HA . . 4.150 3.204 3.020 3.403 . 0 0 "[ . 1 . 2]" 1
745 1 65 PHE H 1 65 PHE HB2 . . 3.900 2.351 2.233 2.455 . 0 0 "[ . 1 . 2]" 1
746 1 52 ILE MG 1 66 VAL HA . . 3.830 3.225 2.970 3.484 . 0 0 "[ . 1 . 2]" 1
747 1 66 VAL HB 1 68 PHE QE . . 4.450 3.791 2.832 4.184 . 0 0 "[ . 1 . 2]" 1
748 1 66 VAL H 1 66 VAL HB . . 3.830 2.563 2.392 2.817 . 0 0 "[ . 1 . 2]" 1
749 1 25 ILE H 1 66 VAL HB . . 4.490 3.653 3.342 3.949 . 0 0 "[ . 1 . 2]" 1
750 1 26 TYR HA 1 66 VAL MG2 . . 4.670 4.491 4.293 4.668 . 0 0 "[ . 1 . 2]" 1
751 1 65 PHE HA 1 66 VAL MG2 . . 4.340 3.519 3.194 3.812 . 0 0 "[ . 1 . 2]" 1
752 1 43 PHE QE 1 66 VAL MG2 . . 3.980 3.515 2.989 3.950 . 0 0 "[ . 1 . 2]" 1
753 1 43 PHE QD 1 66 VAL MG2 . . 4.910 3.548 3.047 3.926 . 0 0 "[ . 1 . 2]" 1
754 1 53 ASP H 1 66 VAL MG2 . . 4.220 4.199 4.057 4.228 0.008 16 0 "[ . 1 . 2]" 1
755 1 52 ILE HG13 1 66 VAL MG2 . . 4.200 3.936 3.610 4.197 . 0 0 "[ . 1 . 2]" 1
756 1 66 VAL MG1 1 67 GLU HB2 . . 4.860 4.816 4.612 4.895 0.035 2 0 "[ . 1 . 2]" 1
757 1 25 ILE HG13 1 66 VAL MG1 . . 3.860 3.725 3.406 3.862 0.002 6 0 "[ . 1 . 2]" 1
758 1 43 PHE HB2 1 66 VAL MG1 . . 5.500 3.407 3.018 3.652 . 0 0 "[ . 1 . 2]" 1
759 1 43 PHE HB3 1 66 VAL MG1 . . 4.080 3.546 3.050 3.885 . 0 0 "[ . 1 . 2]" 1
760 1 51 ASP H 1 66 VAL MG1 . . 4.230 3.987 3.724 4.224 . 0 0 "[ . 1 . 2]" 1
761 1 66 VAL H 1 66 VAL MG1 . . 4.180 3.805 3.734 3.921 . 0 0 "[ . 1 . 2]" 1
762 1 67 GLU H 1 67 GLU HB3 . . 3.870 2.666 2.573 2.765 . 0 0 "[ . 1 . 2]" 1
763 1 51 ASP HB3 1 67 GLU HB2 . . 3.970 3.698 3.305 3.924 . 0 0 "[ . 1 . 2]" 1
764 1 69 GLU H 1 69 GLU HG3 . . 3.910 3.653 3.086 3.904 . 0 0 "[ . 1 . 2]" 1
765 1 67 GLU QG 1 68 PHE H . . 3.840 2.762 2.146 3.384 . 0 0 "[ . 1 . 2]" 1
766 1 68 PHE HB3 1 70 ASP H . . 3.730 2.537 2.088 2.856 . 0 0 "[ . 1 . 2]" 1
767 1 68 PHE H 1 68 PHE HB3 . . 3.690 3.365 3.292 3.541 . 0 0 "[ . 1 . 2]" 1
768 1 68 PHE H 1 68 PHE HB2 . . 3.840 2.078 1.948 2.297 . 0 0 "[ . 1 . 2]" 1
769 1 69 GLU HB3 1 70 ASP H . . 4.980 3.669 3.336 4.036 . 0 0 "[ . 1 . 2]" 1
770 1 69 GLU H 1 69 GLU HG2 . . 3.710 2.618 2.407 2.888 . 0 0 "[ . 1 . 2]" 1
771 1 70 ASP HA 1 71 PRO HG3 . . 4.390 4.323 4.283 4.367 . 0 0 "[ . 1 . 2]" 1
772 1 70 ASP HB2 1 73 ASP H . . 4.170 3.284 2.706 3.960 . 0 0 "[ . 1 . 2]" 1
773 1 70 ASP HB3 1 73 ASP H . . 4.420 3.060 2.428 3.780 . 0 0 "[ . 1 . 2]" 1
774 1 70 ASP HB3 1 71 PRO HD2 . . 4.720 2.345 2.049 2.976 . 0 0 "[ . 1 . 2]" 1
775 1 71 PRO HD3 1 72 ARG H . . 4.450 3.717 3.684 3.759 . 0 0 "[ . 1 . 2]" 1
776 1 72 ARG HB2 1 72 ARG QD . . 3.890 2.661 2.585 3.087 . 0 0 "[ . 1 . 2]" 1
777 1 72 ARG HB3 1 73 ASP H . . 4.280 3.419 3.117 3.758 . 0 0 "[ . 1 . 2]" 1
778 1 72 ARG HB2 1 73 ASP H . . 4.180 2.440 2.088 2.856 . 0 0 "[ . 1 . 2]" 1
779 1 72 ARG H 1 72 ARG QD . . 4.660 4.082 4.020 4.263 . 0 0 "[ . 1 . 2]" 1
780 1 73 ASP HA 1 76 ASP H . . 3.920 3.221 2.867 3.545 . 0 0 "[ . 1 . 2]" 1
781 1 25 ILE MG 1 74 ALA HA . . 4.280 3.300 2.760 3.612 . 0 0 "[ . 1 . 2]" 1
782 1 25 ILE MD 1 74 ALA HA . . 4.260 3.649 3.235 4.168 . 0 0 "[ . 1 . 2]" 1
783 1 74 ALA HA 1 77 ALA H . . 4.050 3.860 3.617 4.048 . 0 0 "[ . 1 . 2]" 1
784 1 25 ILE HG12 1 74 ALA MB . . 4.220 3.799 3.326 4.131 . 0 0 "[ . 1 . 2]" 1
785 1 68 PHE HB3 1 74 ALA MB . . 3.840 2.678 2.207 3.229 . 0 0 "[ . 1 . 2]" 1
786 1 68 PHE H 1 74 ALA MB . . 4.010 3.345 3.120 3.688 . 0 0 "[ . 1 . 2]" 1
787 1 75 GLU HB3 1 95 PHE HZ . . 4.150 3.809 3.579 4.151 0.001 19 0 "[ . 1 . 2]" 1
788 1 75 GLU HB2 1 95 PHE HZ . . 4.470 4.476 4.436 4.508 0.038 5 0 "[ . 1 . 2]" 1
789 1 75 GLU HG2 1 95 PHE HZ . . 3.940 2.056 1.979 2.355 . 0 0 "[ . 1 . 2]" 1
790 1 75 GLU HG3 1 95 PHE HZ . . 3.980 3.397 2.246 3.806 . 0 0 "[ . 1 . 2]" 1
791 1 75 GLU HG2 1 95 PHE QE . . 4.190 3.198 2.640 3.408 . 0 0 "[ . 1 . 2]" 1
792 1 75 GLU HG3 1 76 ASP H . . 4.660 4.224 3.967 4.659 . 0 0 "[ . 1 . 2]" 1
793 1 76 ASP HA 1 79 TYR QD . . 4.050 3.489 2.314 4.063 0.013 16 0 "[ . 1 . 2]" 1
794 1 76 ASP HA 1 79 TYR H . . 4.830 3.637 3.350 3.905 . 0 0 "[ . 1 . 2]" 1
795 1 73 ASP HA 1 76 ASP HB3 . . 4.020 3.853 3.658 4.024 0.004 8 0 "[ . 1 . 2]" 1
796 1 46 TYR QD 1 77 ALA HA . . 4.260 3.606 2.925 3.960 . 0 0 "[ . 1 . 2]" 1
797 1 46 TYR HB3 1 77 ALA MB . . 3.830 3.547 2.796 4.031 0.201 12 0 "[ . 1 . 2]" 1
798 1 74 ALA MB 1 77 ALA MB . . 4.420 4.074 3.917 4.290 . 0 0 "[ . 1 . 2]" 1
799 1 25 ILE MG 1 77 ALA MB . . 4.150 3.742 3.241 4.060 . 0 0 "[ . 1 . 2]" 1
800 1 78 VAL HA 1 93 VAL HB . . 3.930 3.033 2.643 3.748 . 0 0 "[ . 1 . 2]" 1
801 1 78 VAL MG1 1 95 PHE HZ . . 4.180 2.606 2.346 3.705 . 0 0 "[ . 1 . 2]" 1
802 1 78 VAL MG1 1 95 PHE QE . . 3.920 2.355 1.964 2.718 . 0 0 "[ . 1 . 2]" 1
803 1 78 VAL MG2 1 95 PHE H . . 4.430 3.118 2.684 3.559 . 0 0 "[ . 1 . 2]" 1
804 1 78 VAL MG2 1 93 VAL HB . . 3.670 2.871 2.094 3.674 0.004 9 0 "[ . 1 . 2]" 1
805 1 79 TYR HB3 1 80 GLY H . . 4.040 3.550 2.767 3.825 . 0 0 "[ . 1 . 2]" 1
806 1 43 PHE QE 1 81 ARG HB3 . . 3.770 3.552 3.248 3.820 0.050 16 0 "[ . 1 . 2]" 1
807 1 82 ASP HB3 1 93 VAL HB . . 3.780 3.758 3.364 3.804 0.024 17 0 "[ . 1 . 2]" 1
808 1 84 TYR HB2 1 91 LEU MD1 . . 4.360 4.060 3.673 4.363 0.003 4 0 "[ . 1 . 2]" 1
809 1 84 TYR HB3 1 91 LEU MD1 . . 3.920 2.761 2.379 2.993 . 0 0 "[ . 1 . 2]" 1
810 1 85 ASP HB3 1 86 TYR H . . 4.600 4.376 3.772 4.604 0.004 8 0 "[ . 1 . 2]" 1
811 1 86 TYR H 1 86 TYR HB3 . . 3.880 2.380 2.317 2.633 . 0 0 "[ . 1 . 2]" 1
812 1 86 TYR H 1 86 TYR HB2 . . 3.980 2.691 2.457 2.994 . 0 0 "[ . 1 . 2]" 1
813 1 87 ASP HA 1 89 TYR H . . 4.470 4.408 4.206 4.503 0.033 20 0 "[ . 1 . 2]" 1
814 1 86 TYR QD 1 87 ASP HB2 . . 4.050 2.871 1.997 3.565 . 0 0 "[ . 1 . 2]" 1
815 1 87 ASP H 1 87 ASP HB2 . . 4.020 3.081 3.001 3.214 . 0 0 "[ . 1 . 2]" 1
816 1 86 TYR QD 1 87 ASP HB3 . . 4.010 3.189 2.610 3.755 . 0 0 "[ . 1 . 2]" 1
817 1 89 TYR HA 1 89 TYR QD . . 3.940 2.655 2.004 3.082 . 0 0 "[ . 1 . 2]" 1
818 1 89 TYR HB3 1 90 ARG H . . 4.350 3.543 2.879 3.907 . 0 0 "[ . 1 . 2]" 1
819 1 90 ARG H 1 90 ARG HG3 . . 4.530 3.491 2.119 4.498 . 0 0 "[ . 1 . 2]" 1
820 1 90 ARG H 1 90 ARG HG2 . . 4.220 3.388 1.964 4.517 0.297 17 0 "[ . 1 . 2]" 1
821 1 91 LEU HB2 1 92 ARG H . . 4.170 3.640 3.460 3.863 . 0 0 "[ . 1 . 2]" 1
822 1 91 LEU HB3 1 92 ARG H . . 4.200 2.666 2.415 2.886 . 0 0 "[ . 1 . 2]" 1
823 1 91 LEU H 1 91 LEU HB3 . . 4.170 3.657 3.533 3.779 . 0 0 "[ . 1 . 2]" 1
824 1 30 LEU MD2 1 91 LEU MD1 . . 3.820 2.135 1.901 3.079 . 0 0 "[ . 1 . 2]" 1
825 1 91 LEU H 1 91 LEU MD1 . . 4.760 3.698 3.153 3.938 . 0 0 "[ . 1 . 2]" 1
826 1 86 TYR H 1 91 LEU MD2 . . 4.210 3.772 3.313 4.004 . 0 0 "[ . 1 . 2]" 1
827 1 31 PRO HD2 1 91 LEU MD2 . . 4.230 3.198 3.096 3.388 . 0 0 "[ . 1 . 2]" 1
828 1 86 TYR HB2 1 91 LEU MD2 . . 4.260 3.440 2.690 4.112 . 0 0 "[ . 1 . 2]" 1
829 1 82 ASP HA 1 92 ARG HA . . 4.690 3.732 3.518 3.966 . 0 0 "[ . 1 . 2]" 1
830 1 25 ILE MD 1 93 VAL HA . . 5.040 4.684 4.236 4.985 . 0 0 "[ . 1 . 2]" 1
831 1 28 GLY H 1 93 VAL HA . . 4.290 3.365 2.998 3.752 . 0 0 "[ . 1 . 2]" 1
832 1 43 PHE HZ 1 93 VAL HB . . 5.040 4.195 3.817 4.619 . 0 0 "[ . 1 . 2]" 1
833 1 82 ASP H 1 93 VAL HB . . 4.380 2.800 2.334 3.077 . 0 0 "[ . 1 . 2]" 1
834 1 83 GLY H 1 93 VAL HB . . 4.340 4.257 4.039 4.346 0.006 20 0 "[ . 1 . 2]" 1
835 1 81 ARG HB2 1 93 VAL MG1 . . 4.400 2.767 2.115 3.163 . 0 0 "[ . 1 . 2]" 1
836 1 78 VAL HB 1 93 VAL MG1 . . 4.040 3.264 2.801 3.559 . 0 0 "[ . 1 . 2]" 1
837 1 82 ASP HA 1 93 VAL MG1 . . 4.230 3.853 3.693 4.035 . 0 0 "[ . 1 . 2]" 1
838 1 27 VAL HA 1 93 VAL MG1 . . 3.900 3.245 2.826 3.495 . 0 0 "[ . 1 . 2]" 1
839 1 83 GLY H 1 93 VAL MG2 . . 4.090 3.061 2.542 3.630 . 0 0 "[ . 1 . 2]" 1
840 1 92 ARG H 1 93 VAL MG2 . . 3.820 3.677 3.473 3.840 0.020 20 0 "[ . 1 . 2]" 1
841 1 78 VAL HA 1 93 VAL MG2 . . 3.920 3.810 3.641 3.940 0.020 6 0 "[ . 1 . 2]" 1
842 1 25 ILE MD 1 93 VAL MG2 . . 4.790 3.772 3.551 3.923 . 0 0 "[ . 1 . 2]" 1
843 1 92 ARG HA 1 93 VAL MG2 . . 4.480 3.617 3.461 3.801 . 0 0 "[ . 1 . 2]" 1
844 1 94 GLU HB2 1 95 PHE H . . 4.190 2.718 2.164 2.947 . 0 0 "[ . 1 . 2]" 1
845 1 94 GLU HA 1 94 GLU HG3 . . 4.050 3.782 3.552 4.105 0.055 1 0 "[ . 1 . 2]" 1
846 1 95 PHE HA 1 96 PRO HG2 . . 5.340 4.584 4.545 4.595 . 0 0 "[ . 1 . 2]" 1
847 1 95 PHE HA 1 95 PHE QD . . 3.990 2.271 1.980 2.745 . 0 0 "[ . 1 . 2]" 1
848 1 65 PHE QE 1 96 PRO HB2 . . 4.140 3.581 2.968 3.858 . 0 0 "[ . 1 . 2]" 1
849 1 65 PHE QE 1 96 PRO HG2 . . 4.310 4.223 3.561 4.320 0.010 17 0 "[ . 1 . 2]" 1
850 1 65 PHE QE 1 96 PRO HG3 . . 3.910 2.890 1.998 3.467 . 0 0 "[ . 1 . 2]" 1
851 1 65 PHE QD 1 96 PRO HG3 . . 4.580 3.075 2.502 3.513 . 0 0 "[ . 1 . 2]" 1
852 1 95 PHE HB2 1 96 PRO HD3 . . 4.790 4.596 4.566 4.624 . 0 0 "[ . 1 . 2]" 1
853 1 95 PHE HB3 1 96 PRO HD3 . . 4.310 3.550 3.475 3.674 . 0 0 "[ . 1 . 2]" 1
854 1 40 GLU QG 1 44 TYR QD . . 4.200 2.580 1.966 3.800 . 0 0 "[ . 1 . 2]" 1
855 1 44 TYR QD 1 45 LYS HA . . 4.020 3.642 2.547 4.015 . 0 0 "[ . 1 . 2]" 1
856 1 78 VAL MG2 1 79 TYR QD . . 4.560 4.317 3.670 4.579 0.019 13 0 "[ . 1 . 2]" 1
857 1 79 TYR H 1 79 TYR QD . . 4.130 2.766 2.489 3.228 . 0 0 "[ . 1 . 2]" 1
858 1 26 TYR QD 1 94 GLU HG2 . . 3.810 2.498 2.152 3.053 . 0 0 "[ . 1 . 2]" 1
859 1 26 TYR QD 1 94 GLU H . . 4.240 3.229 2.831 3.615 . 0 0 "[ . 1 . 2]" 1
860 1 26 TYR H 1 26 TYR QD . . 4.340 3.921 3.745 4.030 . 0 0 "[ . 1 . 2]" 1
861 1 26 TYR QD 1 28 GLY H . . 4.630 4.093 3.648 4.397 . 0 0 "[ . 1 . 2]" 1
862 1 26 TYR QD 1 65 PHE QD . . 4.620 3.421 3.170 3.718 . 0 0 "[ . 1 . 2]" 1
863 1 46 TYR QD 1 76 ASP HB2 . . 3.900 3.831 3.469 3.910 0.010 7 0 "[ . 1 . 2]" 1
864 1 43 PHE HB3 1 46 TYR QD . . 4.220 4.110 3.799 4.232 0.012 18 0 "[ . 1 . 2]" 1
865 1 84 TYR QD 1 91 LEU HB2 . . 4.310 3.609 3.385 3.948 . 0 0 "[ . 1 . 2]" 1
866 1 84 TYR QD 1 86 TYR HB3 . . 4.310 4.126 3.851 4.308 . 0 0 "[ . 1 . 2]" 1
867 1 84 TYR QD 1 85 ASP H . . 4.420 2.680 2.211 3.342 . 0 0 "[ . 1 . 2]" 1
868 1 84 TYR H 1 84 TYR QD . . 4.170 4.085 4.016 4.136 . 0 0 "[ . 1 . 2]" 1
869 1 63 PHE HA 1 63 PHE QD . . 4.130 3.705 3.651 3.743 . 0 0 "[ . 1 . 2]" 1
870 1 63 PHE QD 1 64 ALA H . . 4.290 3.964 3.759 4.211 . 0 0 "[ . 1 . 2]" 1
871 1 63 PHE H 1 63 PHE QD . . 4.050 2.115 1.980 2.312 . 0 0 "[ . 1 . 2]" 1
872 1 26 TYR QD 1 63 PHE QD . . 3.980 3.840 3.595 3.981 0.001 20 0 "[ . 1 . 2]" 1
873 1 31 PRO HG3 1 86 TYR QD . . 4.250 2.321 1.997 2.612 . 0 0 "[ . 1 . 2]" 1
874 1 31 PRO HD3 1 86 TYR QD . . 4.160 3.768 3.407 4.135 . 0 0 "[ . 1 . 2]" 1
875 1 86 TYR HA 1 86 TYR QD . . 4.120 3.080 2.754 3.220 . 0 0 "[ . 1 . 2]" 1
876 1 25 ILE MD 1 43 PHE QE . . 3.920 2.053 1.815 2.573 . 0 0 "[ . 1 . 2]" 1
877 1 75 GLU H 1 95 PHE HZ . . 4.220 4.049 3.616 4.223 0.003 8 0 "[ . 1 . 2]" 1
878 1 46 TYR QE 1 81 ARG HG3 . . 3.900 3.717 3.443 3.911 0.011 13 0 "[ . 1 . 2]" 1
879 1 46 TYR QE 1 76 ASP HB3 . . 3.880 3.076 2.522 3.806 . 0 0 "[ . 1 . 2]" 1
880 1 46 TYR QE 1 77 ALA HA . . 4.680 3.219 2.643 3.567 . 0 0 "[ . 1 . 2]" 1
881 1 42 VAL MG1 1 84 TYR QE . . 4.040 3.245 2.289 3.758 . 0 0 "[ . 1 . 2]" 1
882 1 31 PRO HA 1 89 TYR QE . . 3.840 3.813 3.404 3.848 0.008 20 0 "[ . 1 . 2]" 1
883 1 26 TYR QE 1 63 PHE HB3 . . 3.840 3.324 3.103 3.518 . 0 0 "[ . 1 . 2]" 1
884 1 26 TYR QE 1 63 PHE HB2 . . 4.230 2.195 1.994 2.615 . 0 0 "[ . 1 . 2]" 1
885 1 81 ARG QD 1 84 TYR HB2 . . 4.330 2.989 1.950 4.212 . 0 0 "[ . 1 . 2]" 1
886 1 55 LYS HE3 1 55 LYS HG3 . . 3.780 2.625 2.327 3.261 . 0 0 "[ . 1 . 2]" 1
887 1 55 LYS HE3 1 63 PHE QE . . 4.000 2.556 2.044 3.987 . 0 0 "[ . 1 . 2]" 1
888 1 55 LYS HE3 1 65 PHE QE . . 4.150 3.949 3.509 4.359 0.209 19 0 "[ . 1 . 2]" 1
889 1 55 LYS HE2 1 65 PHE QE . . 4.360 3.742 1.997 4.359 . 0 0 "[ . 1 . 2]" 1
890 1 55 LYS HE2 1 63 PHE QE . . 3.810 3.262 2.447 3.913 0.103 15 0 "[ . 1 . 2]" 1
891 1 46 TYR HB2 1 77 ALA MB . . 4.020 3.309 2.738 3.668 . 0 0 "[ . 1 . 2]" 1
892 1 31 PRO HB2 1 34 ILE MD . . 4.120 3.871 3.815 3.951 . 0 0 "[ . 1 . 2]" 1
893 1 31 PRO HB2 1 34 ILE H . . 4.090 4.008 3.566 4.101 0.011 3 0 "[ . 1 . 2]" 1
894 1 49 ILE H 1 49 ILE HG12 . . 4.300 4.192 3.871 4.301 0.001 7 0 "[ . 1 . 2]" 1
895 1 49 ILE HG12 1 50 ARG H . . 4.610 4.266 3.998 4.517 . 0 0 "[ . 1 . 2]" 1
896 1 84 TYR QD 1 91 LEU HG . . 4.140 3.378 2.568 4.144 0.004 9 0 "[ . 1 . 2]" 1
897 1 28 GLY HA2 1 30 LEU H . . 4.580 3.767 2.912 4.608 0.028 9 0 "[ . 1 . 2]" 1
898 1 30 LEU HA 1 30 LEU MD1 . . 4.750 3.849 3.830 3.876 . 0 0 "[ . 1 . 2]" 1
899 1 30 LEU HA 1 30 LEU HG . . 3.780 2.664 2.584 2.732 . 0 0 "[ . 1 . 2]" 1
900 1 32 PRO HB3 1 33 ASP H . . 4.670 4.340 4.300 4.363 . 0 0 "[ . 1 . 2]" 1
901 1 34 ILE HG12 1 38 ASP HB2 . . 5.130 4.976 4.701 5.130 0.000 15 0 "[ . 1 . 2]" 1
902 1 31 PRO HD2 1 34 ILE HG12 . . 4.640 2.492 2.316 2.628 . 0 0 "[ . 1 . 2]" 1
903 1 35 ARG H 1 35 ARG HB3 . . 4.080 3.694 3.606 3.776 . 0 0 "[ . 1 . 2]" 1
904 1 34 ILE HA 1 35 ARG QG . . 4.740 3.828 3.535 4.134 . 0 0 "[ . 1 . 2]" 1
905 1 36 THR HB 1 52 ILE HB . . 4.480 4.474 4.347 4.497 0.017 5 0 "[ . 1 . 2]" 1
906 1 37 LYS HA 1 37 LYS HD2 . . 3.970 3.501 3.098 4.285 0.315 2 0 "[ . 1 . 2]" 1
907 1 78 VAL MG2 1 82 ASP HB2 . . 4.900 3.177 2.337 3.846 . 0 0 "[ . 1 . 2]" 1
908 1 82 ASP HB2 1 93 VAL MG2 . . 4.280 3.898 3.696 4.226 . 0 0 "[ . 1 . 2]" 1
909 1 40 GLU QG 1 44 TYR HB3 . . 4.360 3.829 2.583 4.373 0.013 6 0 "[ . 1 . 2]" 1
910 1 42 VAL MG1 1 43 PHE QD . . 4.020 2.556 2.036 3.423 . 0 0 "[ . 1 . 2]" 1
911 1 43 PHE HB2 1 68 PHE HZ . . 3.930 3.731 3.386 3.933 0.003 15 0 "[ . 1 . 2]" 1
912 1 45 LYS HA 1 45 LYS HG2 . . 4.130 3.941 2.519 4.227 0.097 20 0 "[ . 1 . 2]" 1
913 1 45 LYS HG2 1 46 TYR H . . 4.470 3.911 2.731 4.440 . 0 0 "[ . 1 . 2]" 1
914 1 39 ILE HA 1 39 ILE HG13 . . 3.880 2.852 2.789 2.930 . 0 0 "[ . 1 . 2]" 1
915 1 46 TYR HB2 1 68 PHE QE . . 4.190 3.060 2.602 3.444 . 0 0 "[ . 1 . 2]" 1
916 1 54 LEU HG 1 55 LYS H . . 4.960 3.198 2.781 4.392 . 0 0 "[ . 1 . 2]" 1
917 1 57 ARG HA 1 57 ARG HG2 . . 4.120 2.855 2.028 3.809 . 0 0 "[ . 1 . 2]" 1
918 1 57 ARG HA 1 57 ARG HG3 . . 3.880 2.656 2.063 3.689 . 0 0 "[ . 1 . 2]" 1
919 1 31 PRO HB3 1 34 ILE MD . . 4.370 4.377 4.333 4.390 0.020 20 0 "[ . 1 . 2]" 1
920 1 31 PRO HB3 1 89 TYR QD . . 3.690 2.606 1.998 3.323 . 0 0 "[ . 1 . 2]" 1
921 1 31 PRO HB3 1 33 ASP H . . 4.700 3.985 3.950 4.045 . 0 0 "[ . 1 . 2]" 1
922 1 31 PRO HB2 1 32 PRO QD . . 3.560 2.264 2.172 2.413 . 0 0 "[ . 1 . 2]" 1
923 1 31 PRO HG3 1 89 TYR QD . . 3.660 3.536 3.053 3.670 0.010 5 0 "[ . 1 . 2]" 1
924 1 30 LEU HB2 1 62 PRO HB2 . . 4.260 3.485 3.280 3.872 . 0 0 "[ . 1 . 2]" 1
925 1 30 LEU HB3 1 62 PRO QG . . 4.100 3.004 2.803 3.127 . 0 0 "[ . 1 . 2]" 1
926 1 68 PHE HA 1 68 PHE QD . . 3.910 2.883 2.673 3.123 . 0 0 "[ . 1 . 2]" 1
927 1 71 PRO HG2 1 72 ARG H . . 4.070 2.607 2.488 2.728 . 0 0 "[ . 1 . 2]" 1
928 1 71 PRO HG3 1 72 ARG H . . 4.190 3.937 3.862 4.012 . 0 0 "[ . 1 . 2]" 1
929 1 72 ARG HA 1 75 GLU H . . 4.570 3.797 3.567 3.977 . 0 0 "[ . 1 . 2]" 1
930 1 76 ASP HB3 1 77 ALA H . . 3.740 3.582 3.351 3.741 0.001 9 0 "[ . 1 . 2]" 1
931 1 76 ASP H 1 76 ASP HB3 . . 3.750 3.522 3.452 3.565 . 0 0 "[ . 1 . 2]" 1
932 1 75 GLU HA 1 78 VAL MG2 . . 5.360 4.494 4.350 4.711 . 0 0 "[ . 1 . 2]" 1
933 1 78 VAL MG2 1 79 TYR HA . . 4.930 4.537 4.360 4.610 . 0 0 "[ . 1 . 2]" 1
934 1 78 VAL MG2 1 82 ASP HB3 . . 4.870 4.365 3.768 4.887 0.017 9 0 "[ . 1 . 2]" 1
935 1 78 VAL MG2 1 94 GLU HB2 . . 4.430 4.320 4.068 4.533 0.103 3 0 "[ . 1 . 2]" 1
936 1 85 ASP HB2 1 86 TYR H . . 4.530 4.360 3.664 4.660 0.130 12 0 "[ . 1 . 2]" 1
937 1 91 LEU HA 1 92 ARG QB . . 4.560 3.949 3.861 4.318 . 0 0 "[ . 1 . 2]" 1
938 1 28 GLY HA2 1 92 ARG QB . . 4.600 4.495 4.281 4.623 0.023 9 0 "[ . 1 . 2]" 1
939 1 29 ASN H 1 92 ARG QB . . 5.120 4.084 3.802 4.348 . 0 0 "[ . 1 . 2]" 1
940 1 91 LEU HA 1 91 LEU HG . . 4.180 3.197 2.943 3.373 . 0 0 "[ . 1 . 2]" 1
941 1 25 ILE HG13 1 25 ILE MG . . 3.720 3.197 3.150 3.225 . 0 0 "[ . 1 . 2]" 1
942 1 68 PHE HZ 1 77 ALA MB . . 3.770 2.428 2.176 2.804 . 0 0 "[ . 1 . 2]" 1
943 1 26 TYR QE 1 28 GLY HA3 . . 3.710 2.732 2.372 3.011 . 0 0 "[ . 1 . 2]" 1
944 1 26 TYR QE 1 63 PHE QE . . 4.330 4.280 4.050 4.332 0.002 11 0 "[ . 1 . 2]" 1
945 1 26 TYR QE 1 28 GLY H . . 4.310 3.935 3.529 4.266 . 0 0 "[ . 1 . 2]" 1
946 1 27 VAL MG2 1 43 PHE QD . . 4.530 4.001 3.840 4.114 . 0 0 "[ . 1 . 2]" 1
947 1 29 ASN HB2 1 91 LEU HA . . 4.100 2.791 1.999 3.680 . 0 0 "[ . 1 . 2]" 1
948 1 30 LEU HB3 1 31 PRO HD2 . . 5.270 2.003 1.981 2.056 . 0 0 "[ . 1 . 2]" 1
949 1 30 LEU HB3 1 62 PRO HB2 . . 4.860 4.084 3.851 4.271 . 0 0 "[ . 1 . 2]" 1
950 1 27 VAL HB 1 30 LEU MD1 . . 3.940 2.592 2.332 2.913 . 0 0 "[ . 1 . 2]" 1
951 1 30 LEU MD1 1 63 PHE H . . 5.150 4.574 4.250 5.040 . 0 0 "[ . 1 . 2]" 1
952 1 30 LEU MD2 1 86 TYR QD . . 4.360 4.219 3.814 4.368 0.008 16 0 "[ . 1 . 2]" 1
953 1 30 LEU H 1 30 LEU MD2 . . 4.280 4.159 3.935 4.300 0.020 6 0 "[ . 1 . 2]" 1
954 1 31 PRO HA 1 89 TYR QD . . 4.500 3.439 2.997 3.855 . 0 0 "[ . 1 . 2]" 1
955 1 61 PRO HB2 1 62 PRO HD2 . . 4.040 2.288 1.982 2.908 . 0 0 "[ . 1 . 2]" 1
956 1 29 ASN HA 1 61 PRO HB2 . . 3.990 3.111 2.748 3.693 . 0 0 "[ . 1 . 2]" 1
957 1 29 ASN H 1 61 PRO HB2 . . 4.610 3.296 2.820 3.805 . 0 0 "[ . 1 . 2]" 1
958 1 41 ASP HA 1 44 TYR HB3 . . 3.970 2.168 1.991 2.408 . 0 0 "[ . 1 . 2]" 1
959 1 44 TYR HA 1 44 TYR QD . . 3.800 3.112 2.761 3.404 . 0 0 "[ . 1 . 2]" 1
960 1 48 ALA HA 1 49 ILE HA . . 4.500 4.383 4.346 4.418 . 0 0 "[ . 1 . 2]" 1
961 1 49 ILE H 1 49 ILE HG13 . . 4.100 2.928 2.549 3.133 . 0 0 "[ . 1 . 2]" 1
962 1 48 ALA HA 1 49 ILE HG13 . . 4.620 3.575 3.399 3.734 . 0 0 "[ . 1 . 2]" 1
963 1 50 ARG QB 1 67 GLU HB3 . . 3.770 2.269 1.980 2.425 . 0 0 "[ . 1 . 2]" 1
964 1 50 ARG QB 1 67 GLU HB2 . . 4.000 3.882 3.573 3.998 . 0 0 "[ . 1 . 2]" 1
965 1 42 VAL MG2 1 84 TYR QE . . 3.380 2.963 2.358 3.384 0.004 10 0 "[ . 1 . 2]" 1
966 1 31 PRO HG2 1 86 TYR QE . . 4.040 3.186 2.687 3.715 . 0 0 "[ . 1 . 2]" 1
967 1 31 PRO HG3 1 86 TYR QE . . 3.940 3.224 2.809 3.730 . 0 0 "[ . 1 . 2]" 1
968 1 84 TYR QE 1 86 TYR HB2 . . 4.100 2.726 2.063 3.115 . 0 0 "[ . 1 . 2]" 1
969 1 84 TYR QE 1 91 LEU MD1 . . 3.480 3.300 2.859 3.487 0.007 7 0 "[ . 1 . 2]" 1
970 1 25 ILE MD 1 43 PHE HZ . . 4.460 2.877 2.475 3.294 . 0 0 "[ . 1 . 2]" 1
971 1 46 TYR QE 1 77 ALA MB . . 5.230 3.849 3.326 4.364 . 0 0 "[ . 1 . 2]" 1
972 1 43 PHE HA 1 46 TYR QE . . 4.260 3.809 3.333 4.230 . 0 0 "[ . 1 . 2]" 1
973 1 42 VAL MG1 1 81 ARG HG3 . . 4.430 3.352 2.735 4.348 . 0 0 "[ . 1 . 2]" 1
974 1 80 GLY HA3 1 81 ARG HG2 . . 4.500 4.237 4.008 4.497 . 0 0 "[ . 1 . 2]" 1
975 1 43 PHE QE 1 81 ARG HG2 . . 4.270 3.701 2.996 4.269 . 0 0 "[ . 1 . 2]" 1
976 1 42 VAL MG1 1 81 ARG HG2 . . 5.500 4.275 3.841 4.937 . 0 0 "[ . 1 . 2]" 1
977 1 42 VAL MG1 1 81 ARG HB2 . . 5.360 5.033 4.469 5.694 0.334 15 0 "[ . 1 . 2]" 1
978 1 43 PHE QE 1 81 ARG HB2 . . 3.810 2.878 2.468 3.402 . 0 0 "[ . 1 . 2]" 1
979 1 25 ILE MD 1 93 VAL HB . . 4.770 4.476 4.255 4.775 0.005 9 0 "[ . 1 . 2]" 1
980 1 25 ILE MD 1 66 VAL HA . . 5.500 5.284 4.963 5.502 0.002 9 0 "[ . 1 . 2]" 1
981 1 29 ASN HA 1 61 PRO HG2 . . 3.900 3.356 2.729 3.921 0.021 19 0 "[ . 1 . 2]" 1
982 1 75 GLU HA 1 78 VAL H . . 3.400 3.357 3.210 3.413 0.013 20 0 "[ . 1 . 2]" 1
983 1 43 PHE QD 1 68 PHE QE . . 4.490 2.489 2.036 3.347 . 0 0 "[ . 1 . 2]" 1
984 1 61 PRO HB3 1 62 PRO HD2 . . 3.900 2.877 2.750 3.178 . 0 0 "[ . 1 . 2]" 1
985 1 31 PRO HG2 1 86 TYR QD . . 3.840 3.544 3.253 3.802 . 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 20
_Distance_constraint_stats_list.Viol_count 383
_Distance_constraint_stats_list.Viol_total 1165.880
_Distance_constraint_stats_list.Viol_max 0.313
_Distance_constraint_stats_list.Viol_rms 0.0883
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1457
_Distance_constraint_stats_list.Viol_average_violations_only 0.1522
_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 25 ILE 4.503 0.248 19 0 "[ . 1 . 2]"
1 26 TYR 8.838 0.313 6 0 "[ . 1 . 2]"
1 27 VAL 7.946 0.305 14 0 "[ . 1 . 2]"
1 28 GLY 5.489 0.293 9 0 "[ . 1 . 2]"
1 51 ASP 7.421 0.299 3 0 "[ . 1 . 2]"
1 53 ASP 6.960 0.295 2 0 "[ . 1 . 2]"
1 55 LYS 9.360 0.302 13 0 "[ . 1 . 2]"
1 63 PHE 9.360 0.302 13 0 "[ . 1 . 2]"
1 64 ALA 7.946 0.305 14 0 "[ . 1 . 2]"
1 65 PHE 6.960 0.295 2 0 "[ . 1 . 2]"
1 66 VAL 4.503 0.248 19 0 "[ . 1 . 2]"
1 67 GLU 7.421 0.299 3 0 "[ . 1 . 2]"
1 86 TYR 7.778 0.261 9 0 "[ . 1 . 2]"
1 89 TYR 7.778 0.261 9 0 "[ . 1 . 2]"
1 92 ARG 5.489 0.293 9 0 "[ . 1 . 2]"
1 94 GLU 8.838 0.313 6 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 51 ASP O 1 67 GLU H . . 1.800 1.958 1.804 2.009 0.209 9 0 "[ . 1 . 2]" 2
2 1 51 ASP O 1 67 GLU N . . 2.700 2.913 2.761 2.999 0.299 3 0 "[ . 1 . 2]" 2
3 1 53 ASP H 1 65 PHE O . . 1.800 1.944 1.812 2.012 0.212 13 0 "[ . 1 . 2]" 2
4 1 53 ASP N 1 65 PHE O . . 2.700 2.904 2.738 2.995 0.295 2 0 "[ . 1 . 2]" 2
5 1 55 LYS H 1 63 PHE O . . 1.800 2.014 2.000 2.028 0.228 17 0 "[ . 1 . 2]" 2
6 1 55 LYS N 1 63 PHE O . . 2.700 2.954 2.914 3.002 0.302 13 0 "[ . 1 . 2]" 2
7 1 25 ILE O 1 66 VAL H . . 1.800 1.923 1.799 2.002 0.202 19 0 "[ . 1 . 2]" 2
8 1 25 ILE O 1 66 VAL N . . 2.700 2.802 2.703 2.948 0.248 19 0 "[ . 1 . 2]" 2
9 1 27 VAL H 1 64 ALA O . . 1.800 1.953 1.805 2.007 0.207 20 0 "[ . 1 . 2]" 2
10 1 27 VAL N 1 64 ALA O . . 2.700 2.945 2.803 3.005 0.305 14 0 "[ . 1 . 2]" 2
11 1 26 TYR O 1 94 GLU H . . 1.800 1.987 1.904 2.018 0.218 14 0 "[ . 1 . 2]" 2
12 1 26 TYR O 1 94 GLU N . . 2.700 2.955 2.904 3.013 0.313 6 0 "[ . 1 . 2]" 2
13 1 28 GLY O 1 92 ARG H . . 1.800 1.860 1.795 2.001 0.201 9 0 "[ . 1 . 2]" 2
14 1 28 GLY O 1 92 ARG N . . 2.700 2.813 2.700 2.993 0.293 9 0 "[ . 1 . 2]" 2
15 1 28 GLY H 1 92 ARG O . . 1.800 1.844 1.776 1.959 0.159 11 0 "[ . 1 . 2]" 2
16 1 28 GLY N 1 92 ARG O . . 2.700 2.753 2.687 2.857 0.157 5 0 "[ . 1 . 2]" 2
17 1 86 TYR O 1 89 TYR H . . 1.800 1.956 1.843 2.008 0.208 11 0 "[ . 1 . 2]" 2
18 1 86 TYR O 1 89 TYR N . . 2.700 2.801 2.702 2.961 0.261 9 0 "[ . 1 . 2]" 2
19 1 86 TYR H 1 89 TYR O . . 1.800 1.860 1.795 1.964 0.164 6 0 "[ . 1 . 2]" 2
20 1 86 TYR N 1 89 TYR O . . 2.700 2.771 2.698 2.908 0.208 13 0 "[ . 1 . 2]" 2
stop_
save_
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