NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
436749 |
2k1m   |
15679 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2k1m
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 1131
_Distance_constraint_stats_list.Viol_count 1473
_Distance_constraint_stats_list.Viol_total 895.726
_Distance_constraint_stats_list.Viol_max 0.261
_Distance_constraint_stats_list.Viol_rms 0.0129
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0020
_Distance_constraint_stats_list.Viol_average_violations_only 0.0304
_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 5 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 PRO 0.028 0.008 6 0 "[ . 1 . 2]"
1 8 VAL 0.004 0.003 11 0 "[ . 1 . 2]"
1 9 SER 0.023 0.008 6 0 "[ . 1 . 2]"
1 10 ALA 0.539 0.030 12 0 "[ . 1 . 2]"
1 11 PHE 1.041 0.032 12 0 "[ . 1 . 2]"
1 12 SER 0.003 0.002 5 0 "[ . 1 . 2]"
1 13 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 LYS 0.145 0.038 8 0 "[ . 1 . 2]"
1 15 PRO 2.382 0.066 6 0 "[ . 1 . 2]"
1 16 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 SER 0.207 0.039 1 0 "[ . 1 . 2]"
1 18 VAL 0.352 0.026 19 0 "[ . 1 . 2]"
1 19 GLU 1.997 0.104 12 0 "[ . 1 . 2]"
1 20 VAL 1.767 0.122 12 0 "[ . 1 . 2]"
1 21 ALA 3.526 0.122 12 0 "[ . 1 . 2]"
1 22 ALA 0.437 0.082 20 0 "[ . 1 . 2]"
1 23 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 PRO 3.350 0.188 18 0 "[ . 1 . 2]"
1 26 ALA 0.022 0.012 19 0 "[ . 1 . 2]"
1 27 VAL 1.584 0.136 15 0 "[ . 1 . 2]"
1 28 PHE 5.188 0.136 15 0 "[ . 1 . 2]"
1 29 GLU 0.134 0.023 6 0 "[ . 1 . 2]"
1 30 ALA 0.915 0.080 4 0 "[ . 1 . 2]"
1 31 GLU 1.521 0.066 6 0 "[ . 1 . 2]"
1 32 THR 0.629 0.041 19 0 "[ . 1 . 2]"
1 33 GLU 0.003 0.002 5 0 "[ . 1 . 2]"
1 34 ARG 0.317 0.037 12 0 "[ . 1 . 2]"
1 35 ALA 0.007 0.003 3 0 "[ . 1 . 2]"
1 36 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 VAL 0.171 0.025 5 0 "[ . 1 . 2]"
1 38 LYS 0.143 0.025 5 0 "[ . 1 . 2]"
1 39 VAL 0.642 0.041 19 0 "[ . 1 . 2]"
1 40 ARG 0.077 0.012 19 0 "[ . 1 . 2]"
1 41 TRP 4.814 0.206 19 0 "[ . 1 . 2]"
1 42 GLN 0.038 0.021 13 0 "[ . 1 . 2]"
1 43 ARG 1.519 0.082 16 0 "[ . 1 . 2]"
1 46 SER 0.004 0.004 19 0 "[ . 1 . 2]"
1 47 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 ILE 1.197 0.034 1 0 "[ . 1 . 2]"
1 49 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 ALA 0.029 0.008 4 0 "[ . 1 . 2]"
1 51 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 LYS 0.543 0.045 16 0 "[ . 1 . 2]"
1 54 TYR 6.354 0.261 8 0 "[ . 1 . 2]"
1 55 GLY 0.385 0.074 13 0 "[ . 1 . 2]"
1 56 LEU 0.263 0.018 15 0 "[ . 1 . 2]"
1 57 ALA 0.085 0.010 2 0 "[ . 1 . 2]"
1 58 THR 0.062 0.010 2 0 "[ . 1 . 2]"
1 59 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 THR 0.262 0.026 2 0 "[ . 1 . 2]"
1 62 ARG 0.236 0.028 15 0 "[ . 1 . 2]"
1 63 HIS 0.509 0.036 2 0 "[ . 1 . 2]"
1 64 THR 1.561 0.102 1 0 "[ . 1 . 2]"
1 65 LEU 0.733 0.041 18 0 "[ . 1 . 2]"
1 66 THR 0.441 0.074 13 0 "[ . 1 . 2]"
1 67 VAL 5.806 0.261 8 0 "[ . 1 . 2]"
1 68 ARG 0.086 0.025 4 0 "[ . 1 . 2]"
1 69 GLU 0.041 0.011 20 0 "[ . 1 . 2]"
1 70 VAL 10.747 0.197 7 0 "[ . 1 . 2]"
1 71 GLY 6.085 0.197 7 0 "[ . 1 . 2]"
1 72 PRO 0.709 0.060 17 0 "[ . 1 . 2]"
1 73 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 ASP 0.057 0.024 20 0 "[ . 1 . 2]"
1 75 GLN 0.994 0.122 19 0 "[ . 1 . 2]"
1 76 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 SER 0.253 0.032 10 0 "[ . 1 . 2]"
1 78 TYR 4.295 0.087 9 0 "[ . 1 . 2]"
1 79 ALA 0.035 0.016 19 0 "[ . 1 . 2]"
1 80 VAL 1.469 0.059 8 0 "[ . 1 . 2]"
1 81 ILE 0.385 0.103 15 0 "[ . 1 . 2]"
1 82 ALA 0.432 0.030 12 0 "[ . 1 . 2]"
1 83 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 SER 0.067 0.022 14 0 "[ . 1 . 2]"
1 86 LYS 0.369 0.103 15 0 "[ . 1 . 2]"
1 87 VAL 0.548 0.046 2 0 "[ . 1 . 2]"
1 88 LYS 0.035 0.016 19 0 "[ . 1 . 2]"
1 89 PHE 1.620 0.074 12 0 "[ . 1 . 2]"
1 90 ASP 0.437 0.032 10 0 "[ . 1 . 2]"
1 91 LEU 1.250 0.087 9 0 "[ . 1 . 2]"
1 92 LYS 0.004 0.004 1 0 "[ . 1 . 2]"
1 93 VAL 5.597 0.128 15 0 "[ . 1 . 2]"
1 94 ILE 1.608 0.128 15 0 "[ . 1 . 2]"
1 95 GLU 0.012 0.009 16 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 5 LYS HA 1 5 LYS HD2 . . 5.400 4.032 2.761 4.894 . 0 0 "[ . 1 . 2]" 1
2 1 5 LYS HA 1 5 LYS QD . . 4.630 3.473 2.384 4.056 . 0 0 "[ . 1 . 2]" 1
3 1 5 LYS HA 1 5 LYS HD3 . . 5.400 4.022 2.407 4.685 . 0 0 "[ . 1 . 2]" 1
4 1 5 LYS HA 1 5 LYS HE2 . . 5.500 4.641 2.480 5.492 . 0 0 "[ . 1 . 2]" 1
5 1 5 LYS HA 1 5 LYS HE3 . . 5.500 4.353 2.496 5.374 . 0 0 "[ . 1 . 2]" 1
6 1 5 LYS HA 1 5 LYS HG2 . . 4.190 2.860 2.038 3.579 . 0 0 "[ . 1 . 2]" 1
7 1 5 LYS HA 1 5 LYS QG . . 3.610 2.246 2.015 2.536 . 0 0 "[ . 1 . 2]" 1
8 1 5 LYS HA 1 5 LYS HG3 . . 4.190 2.723 2.112 3.681 . 0 0 "[ . 1 . 2]" 1
9 1 5 LYS QB 1 6 LYS H . . 3.770 3.125 2.498 3.694 . 0 0 "[ . 1 . 2]" 1
10 1 5 LYS QE 1 5 LYS QG . . 3.310 2.109 1.986 2.321 . 0 0 "[ . 1 . 2]" 1
11 1 7 PRO HA 1 8 VAL MG1 . . 5.500 5.142 3.974 5.503 0.003 11 0 "[ . 1 . 2]" 1
12 1 7 PRO HA 1 8 VAL MG2 . . 5.500 3.784 3.618 4.226 . 0 0 "[ . 1 . 2]" 1
13 1 7 PRO HA 1 9 SER H . . 5.500 5.499 5.492 5.508 0.008 6 0 "[ . 1 . 2]" 1
14 1 10 ALA HA 1 11 PHE QD . . 4.990 4.789 4.676 4.890 . 0 0 "[ . 1 . 2]" 1
15 1 10 ALA HA 1 32 THR MG . . 4.970 4.901 4.465 4.980 0.010 13 0 "[ . 1 . 2]" 1
16 1 10 ALA HA 1 33 GLU HB2 . . 5.200 2.238 2.034 2.316 . 0 0 "[ . 1 . 2]" 1
17 1 10 ALA HA 1 33 GLU QB . . 4.540 1.926 1.889 2.042 . 0 0 "[ . 1 . 2]" 1
18 1 10 ALA HA 1 33 GLU HB3 . . 5.200 2.118 2.002 2.306 . 0 0 "[ . 1 . 2]" 1
19 1 10 ALA HA 1 33 GLU HG2 . . 5.420 4.600 4.159 4.774 . 0 0 "[ . 1 . 2]" 1
20 1 10 ALA HA 1 33 GLU HG3 . . 5.420 3.917 3.715 4.607 . 0 0 "[ . 1 . 2]" 1
21 1 10 ALA HA 1 82 ALA MB . . 5.500 5.513 5.502 5.530 0.030 12 0 "[ . 1 . 2]" 1
22 1 10 ALA MB 1 11 PHE QD . . 2.910 2.914 2.855 2.932 0.022 16 0 "[ . 1 . 2]" 1
23 1 10 ALA MB 1 32 THR HB . . 5.500 4.500 4.330 4.790 . 0 0 "[ . 1 . 2]" 1
24 1 10 ALA MB 1 34 ARG H . . 4.860 4.548 4.139 4.793 . 0 0 "[ . 1 . 2]" 1
25 1 10 ALA MB 1 82 ALA MB . . 3.470 3.402 3.304 3.481 0.011 4 0 "[ . 1 . 2]" 1
26 1 10 ALA MB 1 85 SER QB . . 3.180 1.749 1.715 1.816 . 0 0 "[ . 1 . 2]" 1
27 1 11 PHE H 1 32 THR HA . . 4.630 4.623 4.570 4.655 0.025 2 0 "[ . 1 . 2]" 1
28 1 11 PHE HA 1 11 PHE QD . . 3.150 3.009 2.992 3.023 . 0 0 "[ . 1 . 2]" 1
29 1 11 PHE HA 1 11 PHE QE . . 5.030 4.472 4.458 4.488 . 0 0 "[ . 1 . 2]" 1
30 1 11 PHE HA 1 32 THR HB . . 4.550 4.318 4.193 4.529 . 0 0 "[ . 1 . 2]" 1
31 1 11 PHE HB2 1 14 LYS HA . . 5.040 4.797 4.739 4.889 . 0 0 "[ . 1 . 2]" 1
32 1 11 PHE HB2 1 32 THR HA . . 5.150 4.857 4.812 4.899 . 0 0 "[ . 1 . 2]" 1
33 1 11 PHE HB3 1 14 LYS HA . . 4.880 3.303 3.235 3.397 . 0 0 "[ . 1 . 2]" 1
34 1 11 PHE HB3 1 30 ALA MB . . 5.350 5.255 5.144 5.356 0.006 6 0 "[ . 1 . 2]" 1
35 1 11 PHE HB3 1 32 THR HA . . 4.920 4.450 4.381 4.539 . 0 0 "[ . 1 . 2]" 1
36 1 11 PHE QD 1 14 LYS HA . . 3.630 2.747 2.596 2.938 . 0 0 "[ . 1 . 2]" 1
37 1 11 PHE QD 1 15 PRO HD2 . . 4.300 3.654 3.504 3.725 . 0 0 "[ . 1 . 2]" 1
38 1 11 PHE QD 1 15 PRO HD3 . . 4.610 2.889 2.630 2.962 . 0 0 "[ . 1 . 2]" 1
39 1 11 PHE QD 1 15 PRO HG2 . . 5.500 5.478 5.206 5.529 0.029 2 0 "[ . 1 . 2]" 1
40 1 11 PHE QD 1 15 PRO HG3 . . 5.050 4.711 4.342 4.816 . 0 0 "[ . 1 . 2]" 1
41 1 11 PHE QD 1 30 ALA HA . . 4.970 4.178 3.957 4.527 . 0 0 "[ . 1 . 2]" 1
42 1 11 PHE QD 1 30 ALA MB . . 3.330 3.213 3.082 3.334 0.004 15 0 "[ . 1 . 2]" 1
43 1 11 PHE QD 1 31 GLU HA . . 5.330 5.333 5.274 5.362 0.032 12 0 "[ . 1 . 2]" 1
44 1 11 PHE QD 1 32 THR H . . 5.500 5.443 5.382 5.495 . 0 0 "[ . 1 . 2]" 1
45 1 11 PHE QD 1 32 THR MG . . 3.860 3.638 3.477 3.757 . 0 0 "[ . 1 . 2]" 1
46 1 11 PHE QD 1 39 VAL QG . . 5.440 4.389 4.320 4.448 . 0 0 "[ . 1 . 2]" 1
47 1 11 PHE QD 1 80 VAL MG1 . . 4.580 4.586 4.533 4.608 0.028 14 0 "[ . 1 . 2]" 1
48 1 11 PHE QD 1 81 ILE HA . . 5.500 5.469 5.330 5.521 0.021 16 0 "[ . 1 . 2]" 1
49 1 11 PHE QD 1 82 ALA H . . 5.080 4.634 4.525 4.741 . 0 0 "[ . 1 . 2]" 1
50 1 11 PHE QD 1 82 ALA MB . . 3.730 3.375 3.306 3.461 . 0 0 "[ . 1 . 2]" 1
51 1 11 PHE QD 1 85 SER HA . . 4.990 4.681 4.560 4.927 . 0 0 "[ . 1 . 2]" 1
52 1 11 PHE QD 1 85 SER QB . . 3.120 2.052 1.977 2.188 . 0 0 "[ . 1 . 2]" 1
53 1 11 PHE QD 1 87 VAL HB . . 5.240 4.477 4.109 5.093 . 0 0 "[ . 1 . 2]" 1
54 1 11 PHE QD 1 87 VAL QG . . 3.040 2.802 2.510 3.065 0.025 8 0 "[ . 1 . 2]" 1
55 1 11 PHE QE 1 14 LYS HA . . 5.110 4.298 4.065 4.612 . 0 0 "[ . 1 . 2]" 1
56 1 11 PHE QE 1 15 PRO HD2 . . 4.750 3.989 3.799 4.279 . 0 0 "[ . 1 . 2]" 1
57 1 11 PHE QE 1 15 PRO HD3 . . 4.890 2.994 2.783 3.283 . 0 0 "[ . 1 . 2]" 1
58 1 11 PHE QE 1 15 PRO HG3 . . 4.090 3.597 3.227 3.769 . 0 0 "[ . 1 . 2]" 1
59 1 11 PHE QE 1 30 ALA MB . . 3.510 2.264 2.040 2.567 . 0 0 "[ . 1 . 2]" 1
60 1 11 PHE QE 1 32 THR HA . . 4.940 4.674 4.591 4.735 . 0 0 "[ . 1 . 2]" 1
61 1 11 PHE QE 1 32 THR MG . . 3.590 3.424 3.271 3.541 . 0 0 "[ . 1 . 2]" 1
62 1 11 PHE QE 1 39 VAL MG1 . . 3.970 3.165 3.007 3.264 . 0 0 "[ . 1 . 2]" 1
63 1 11 PHE QE 1 39 VAL QG . . 3.320 3.044 2.922 3.120 . 0 0 "[ . 1 . 2]" 1
64 1 11 PHE QE 1 39 VAL MG2 . . 3.970 3.958 3.806 3.989 0.019 4 0 "[ . 1 . 2]" 1
65 1 11 PHE QE 1 80 VAL MG1 . . 3.480 3.203 3.120 3.269 . 0 0 "[ . 1 . 2]" 1
66 1 11 PHE QE 1 80 VAL MG2 . . 3.130 2.984 2.756 3.137 0.007 10 0 "[ . 1 . 2]" 1
67 1 11 PHE QE 1 81 ILE HA . . 3.720 3.351 3.224 3.446 . 0 0 "[ . 1 . 2]" 1
68 1 11 PHE QE 1 82 ALA HA . . 4.360 4.265 4.174 4.366 0.006 20 0 "[ . 1 . 2]" 1
69 1 11 PHE QE 1 82 ALA MB . . 3.070 2.206 2.038 2.349 . 0 0 "[ . 1 . 2]" 1
70 1 11 PHE QE 1 85 SER HA . . 5.500 4.849 4.515 5.164 . 0 0 "[ . 1 . 2]" 1
71 1 11 PHE QE 1 85 SER QB . . 3.350 2.727 2.290 3.215 . 0 0 "[ . 1 . 2]" 1
72 1 11 PHE QE 1 86 LYS HA . . 3.840 3.558 2.765 3.810 . 0 0 "[ . 1 . 2]" 1
73 1 11 PHE QE 1 87 VAL QG . . 3.240 2.720 2.538 2.935 . 0 0 "[ . 1 . 2]" 1
74 1 12 SER H 1 13 LYS H . . 3.270 2.823 2.653 2.914 . 0 0 "[ . 1 . 2]" 1
75 1 12 SER H 1 32 THR HA . . 3.230 2.652 2.557 2.769 . 0 0 "[ . 1 . 2]" 1
76 1 12 SER H 1 33 GLU QB . . 4.770 3.017 2.833 3.226 . 0 0 "[ . 1 . 2]" 1
77 1 12 SER H 1 33 GLU QG . . 4.730 3.671 3.380 4.057 . 0 0 "[ . 1 . 2]" 1
78 1 12 SER HA 1 13 LYS HB2 . . 5.500 5.027 4.952 5.168 . 0 0 "[ . 1 . 2]" 1
79 1 12 SER HA 1 33 GLU HA . . 4.960 3.972 3.778 4.347 . 0 0 "[ . 1 . 2]" 1
80 1 12 SER QB 1 31 GLU QB . . 4.520 2.588 2.252 3.191 . 0 0 "[ . 1 . 2]" 1
81 1 12 SER QB 1 33 GLU HA . . 3.660 2.569 2.199 3.023 . 0 0 "[ . 1 . 2]" 1
82 1 12 SER QB 1 33 GLU QB . . 4.610 3.863 3.642 4.175 . 0 0 "[ . 1 . 2]" 1
83 1 12 SER QB 1 33 GLU QG . . 3.820 3.178 2.684 3.781 . 0 0 "[ . 1 . 2]" 1
84 1 12 SER HB2 1 13 LYS HB2 . . 5.500 4.885 3.665 5.172 . 0 0 "[ . 1 . 2]" 1
85 1 12 SER HB2 1 33 GLU HA . . 4.500 2.746 2.219 4.116 . 0 0 "[ . 1 . 2]" 1
86 1 12 SER HB2 1 33 GLU HG2 . . 5.500 3.595 3.035 4.651 . 0 0 "[ . 1 . 2]" 1
87 1 12 SER HB2 1 33 GLU HG3 . . 5.500 4.165 2.773 5.081 . 0 0 "[ . 1 . 2]" 1
88 1 12 SER HB3 1 13 LYS HB2 . . 5.500 3.818 3.149 5.141 . 0 0 "[ . 1 . 2]" 1
89 1 12 SER HB3 1 33 GLU HA . . 4.500 3.596 2.357 4.391 . 0 0 "[ . 1 . 2]" 1
90 1 12 SER HB3 1 33 GLU HG2 . . 5.500 4.763 3.124 5.502 0.002 5 0 "[ . 1 . 2]" 1
91 1 12 SER HB3 1 33 GLU HG3 . . 5.500 5.189 3.801 5.501 0.001 12 0 "[ . 1 . 2]" 1
92 1 13 LYS H 1 31 GLU H . . 3.890 3.051 2.809 3.179 . 0 0 "[ . 1 . 2]" 1
93 1 13 LYS H 1 32 THR HA . . 4.720 4.116 4.041 4.244 . 0 0 "[ . 1 . 2]" 1
94 1 13 LYS HA 1 13 LYS HD2 . . 4.820 3.616 2.027 4.587 . 0 0 "[ . 1 . 2]" 1
95 1 13 LYS HA 1 13 LYS QD . . 4.150 3.186 2.008 4.012 . 0 0 "[ . 1 . 2]" 1
96 1 13 LYS HA 1 13 LYS HD3 . . 4.820 3.827 2.504 4.644 . 0 0 "[ . 1 . 2]" 1
97 1 13 LYS HA 1 13 LYS HG2 . . 4.140 2.951 2.115 3.654 . 0 0 "[ . 1 . 2]" 1
98 1 13 LYS HA 1 13 LYS QG . . 3.530 2.228 2.059 2.606 . 0 0 "[ . 1 . 2]" 1
99 1 13 LYS HA 1 13 LYS HG3 . . 4.140 2.673 2.080 3.460 . 0 0 "[ . 1 . 2]" 1
100 1 13 LYS HA 1 31 GLU QB . . 5.340 3.850 3.731 4.075 . 0 0 "[ . 1 . 2]" 1
101 1 13 LYS HB2 1 31 GLU HA . . 5.390 4.947 4.606 5.240 . 0 0 "[ . 1 . 2]" 1
102 1 13 LYS HB2 1 31 GLU QB . . 3.740 2.074 1.912 2.243 . 0 0 "[ . 1 . 2]" 1
103 1 13 LYS HB2 1 31 GLU HG2 . . 4.530 4.327 4.075 4.526 . 0 0 "[ . 1 . 2]" 1
104 1 13 LYS HB3 1 14 LYS H . . 4.190 4.144 4.059 4.188 . 0 0 "[ . 1 . 2]" 1
105 1 13 LYS HB3 1 14 LYS HA . . 5.500 4.889 4.829 4.965 . 0 0 "[ . 1 . 2]" 1
106 1 13 LYS HB3 1 30 ALA HA . . 4.850 3.617 3.170 3.822 . 0 0 "[ . 1 . 2]" 1
107 1 13 LYS HB3 1 31 GLU HA . . 5.500 4.401 4.149 4.833 . 0 0 "[ . 1 . 2]" 1
108 1 14 LYS HA 1 14 LYS HD2 . . 5.210 4.626 3.376 4.903 . 0 0 "[ . 1 . 2]" 1
109 1 14 LYS HA 1 14 LYS QD . . 4.570 4.035 3.090 4.290 . 0 0 "[ . 1 . 2]" 1
110 1 14 LYS HA 1 14 LYS HD3 . . 5.210 4.485 3.485 4.942 . 0 0 "[ . 1 . 2]" 1
111 1 14 LYS HA 1 14 LYS HG2 . . 4.220 3.032 2.265 3.312 . 0 0 "[ . 1 . 2]" 1
112 1 14 LYS HA 1 14 LYS QG . . 3.710 2.453 2.012 2.600 . 0 0 "[ . 1 . 2]" 1
113 1 14 LYS HA 1 14 LYS HG3 . . 4.220 2.667 2.030 3.552 . 0 0 "[ . 1 . 2]" 1
114 1 14 LYS HA 1 15 PRO HB2 . . 5.500 5.493 5.464 5.512 0.012 2 0 "[ . 1 . 2]" 1
115 1 14 LYS HA 1 15 PRO HD2 . . 3.580 2.156 2.062 2.210 . 0 0 "[ . 1 . 2]" 1
116 1 14 LYS HA 1 15 PRO HD3 . . 3.510 2.256 2.253 2.274 . 0 0 "[ . 1 . 2]" 1
117 1 14 LYS HA 1 15 PRO HG2 . . 4.710 4.317 4.243 4.360 . 0 0 "[ . 1 . 2]" 1
118 1 14 LYS HA 1 15 PRO HG3 . . 5.080 4.352 4.324 4.374 . 0 0 "[ . 1 . 2]" 1
119 1 14 LYS HA 1 30 ALA HA . . 4.660 4.023 3.921 4.350 . 0 0 "[ . 1 . 2]" 1
120 1 14 LYS HA 1 30 ALA MB . . 4.030 3.849 3.717 3.981 . 0 0 "[ . 1 . 2]" 1
121 1 14 LYS HA 1 87 VAL HB . . 5.500 4.955 4.527 5.418 . 0 0 "[ . 1 . 2]" 1
122 1 14 LYS HA 1 87 VAL MG1 . . 4.730 3.602 3.185 3.947 . 0 0 "[ . 1 . 2]" 1
123 1 14 LYS HA 1 87 VAL QG . . 4.080 3.243 2.899 3.467 . 0 0 "[ . 1 . 2]" 1
124 1 14 LYS HA 1 87 VAL MG2 . . 4.730 3.759 3.143 4.093 . 0 0 "[ . 1 . 2]" 1
125 1 14 LYS QB 1 15 PRO HD2 . . 4.360 3.331 3.116 3.562 . 0 0 "[ . 1 . 2]" 1
126 1 14 LYS QB 1 15 PRO HD3 . . 4.560 4.180 4.103 4.316 . 0 0 "[ . 1 . 2]" 1
127 1 14 LYS QD 1 15 PRO HD2 . . 3.980 3.780 2.033 3.959 . 0 0 "[ . 1 . 2]" 1
128 1 14 LYS QD 1 87 VAL HA . . 5.340 4.933 4.005 5.349 0.009 14 0 "[ . 1 . 2]" 1
129 1 14 LYS HD2 1 15 PRO HD2 . . 4.670 4.289 2.809 4.685 0.015 19 0 "[ . 1 . 2]" 1
130 1 14 LYS HD3 1 15 PRO HD2 . . 4.670 4.276 2.086 4.627 . 0 0 "[ . 1 . 2]" 1
131 1 14 LYS QG 1 15 PRO HD2 . . 4.710 1.945 1.916 2.026 . 0 0 "[ . 1 . 2]" 1
132 1 14 LYS QG 1 15 PRO HD3 . . 4.850 3.349 3.162 3.453 . 0 0 "[ . 1 . 2]" 1
133 1 14 LYS QG 1 87 VAL QG . . 3.620 1.959 1.781 2.448 . 0 0 "[ . 1 . 2]" 1
134 1 14 LYS QG 1 89 PHE QD . . 4.760 4.359 4.099 4.798 0.038 8 0 "[ . 1 . 2]" 1
135 1 14 LYS HG2 1 87 VAL MG1 . . 6.050 3.518 2.185 4.204 . 0 0 "[ . 1 . 2]" 1
136 1 14 LYS HG2 1 87 VAL MG2 . . 6.050 3.680 1.917 5.135 . 0 0 "[ . 1 . 2]" 1
137 1 14 LYS HG3 1 87 VAL MG1 . . 6.050 2.458 1.886 3.681 . 0 0 "[ . 1 . 2]" 1
138 1 14 LYS HG3 1 87 VAL MG2 . . 6.050 2.669 1.883 3.662 . 0 0 "[ . 1 . 2]" 1
139 1 15 PRO HA 1 28 PHE QD . . 5.500 5.510 5.426 5.540 0.040 6 0 "[ . 1 . 2]" 1
140 1 15 PRO HA 1 30 ALA MB . . 5.250 3.597 3.453 3.732 . 0 0 "[ . 1 . 2]" 1
141 1 15 PRO HA 1 80 VAL MG1 . . 5.500 5.529 5.504 5.559 0.059 8 0 "[ . 1 . 2]" 1
142 1 15 PRO HA 1 89 PHE QD . . 5.500 5.300 5.222 5.390 . 0 0 "[ . 1 . 2]" 1
143 1 15 PRO HB2 1 16 ARG HA . . 5.500 5.049 4.788 5.097 . 0 0 "[ . 1 . 2]" 1
144 1 15 PRO HB2 1 28 PHE HA . . 5.160 4.813 4.606 5.096 . 0 0 "[ . 1 . 2]" 1
145 1 15 PRO HB2 1 28 PHE HB3 . . 4.040 2.826 2.648 3.007 . 0 0 "[ . 1 . 2]" 1
146 1 15 PRO HB2 1 28 PHE QD . . 4.290 4.112 4.013 4.287 . 0 0 "[ . 1 . 2]" 1
147 1 15 PRO HB2 1 41 TRP HH2 . . 4.850 4.419 4.168 4.590 . 0 0 "[ . 1 . 2]" 1
148 1 15 PRO HB2 1 41 TRP HZ3 . . 5.480 4.045 3.822 4.377 . 0 0 "[ . 1 . 2]" 1
149 1 15 PRO HB2 1 80 VAL MG1 . . 4.820 3.898 3.783 3.953 . 0 0 "[ . 1 . 2]" 1
150 1 15 PRO HB2 1 89 PHE HB2 . . 5.500 4.643 4.287 4.940 . 0 0 "[ . 1 . 2]" 1
151 1 15 PRO HB2 1 89 PHE QB . . 4.770 3.754 3.408 4.048 . 0 0 "[ . 1 . 2]" 1
152 1 15 PRO HB2 1 89 PHE HB3 . . 5.500 3.966 3.577 4.299 . 0 0 "[ . 1 . 2]" 1
153 1 15 PRO HB2 1 89 PHE QD . . 3.790 3.257 3.112 3.389 . 0 0 "[ . 1 . 2]" 1
154 1 15 PRO HB3 1 28 PHE QD . . 5.190 5.075 4.977 5.199 0.009 17 0 "[ . 1 . 2]" 1
155 1 15 PRO HB3 1 30 ALA HA . . 4.840 3.182 3.085 3.361 . 0 0 "[ . 1 . 2]" 1
156 1 15 PRO HB3 1 30 ALA MB . . 4.520 2.026 1.965 2.223 . 0 0 "[ . 1 . 2]" 1
157 1 15 PRO HB3 1 41 TRP HH2 . . 4.390 3.353 3.200 3.492 . 0 0 "[ . 1 . 2]" 1
158 1 15 PRO HB3 1 41 TRP HZ3 . . 4.870 3.992 3.845 4.197 . 0 0 "[ . 1 . 2]" 1
159 1 15 PRO HB3 1 89 PHE QD . . 5.040 4.450 4.273 4.617 . 0 0 "[ . 1 . 2]" 1
160 1 15 PRO HD2 1 30 ALA HA . . 4.930 4.547 4.469 4.936 0.006 7 0 "[ . 1 . 2]" 1
161 1 15 PRO HD2 1 30 ALA MB . . 3.880 3.539 3.447 3.830 . 0 0 "[ . 1 . 2]" 1
162 1 15 PRO HD2 1 31 GLU H . . 5.500 5.534 5.300 5.566 0.066 6 0 "[ . 1 . 2]" 1
163 1 15 PRO HD2 1 80 VAL MG1 . . 4.060 3.605 3.504 3.846 . 0 0 "[ . 1 . 2]" 1
164 1 15 PRO HD2 1 80 VAL MG2 . . 5.440 5.165 4.979 5.402 . 0 0 "[ . 1 . 2]" 1
165 1 15 PRO HD2 1 87 VAL MG1 . . 4.190 2.793 1.936 3.667 . 0 0 "[ . 1 . 2]" 1
166 1 15 PRO HD2 1 87 VAL QG . . 3.580 2.318 1.907 2.504 . 0 0 "[ . 1 . 2]" 1
167 1 15 PRO HD2 1 87 VAL MG2 . . 4.190 2.876 2.154 3.697 . 0 0 "[ . 1 . 2]" 1
168 1 15 PRO HD2 1 89 PHE QD . . 4.560 4.031 3.993 4.155 . 0 0 "[ . 1 . 2]" 1
169 1 15 PRO HD3 1 30 ALA HA . . 4.300 2.914 2.812 3.350 . 0 0 "[ . 1 . 2]" 1
170 1 15 PRO HD3 1 30 ALA MB . . 3.710 2.061 1.964 2.366 . 0 0 "[ . 1 . 2]" 1
171 1 15 PRO HD3 1 41 TRP HH2 . . 5.500 5.354 5.053 5.475 . 0 0 "[ . 1 . 2]" 1
172 1 15 PRO HD3 1 80 VAL MG1 . . 4.100 3.651 3.581 3.853 . 0 0 "[ . 1 . 2]" 1
173 1 15 PRO HD3 1 80 VAL MG2 . . 5.430 4.587 4.383 4.850 . 0 0 "[ . 1 . 2]" 1
174 1 15 PRO HD3 1 87 VAL MG1 . . 4.930 3.782 3.092 4.775 . 0 0 "[ . 1 . 2]" 1
175 1 15 PRO HD3 1 87 VAL QG . . 4.280 3.160 2.704 3.719 . 0 0 "[ . 1 . 2]" 1
176 1 15 PRO HD3 1 87 VAL MG2 . . 4.930 3.830 2.728 4.476 . 0 0 "[ . 1 . 2]" 1
177 1 15 PRO HD3 1 89 PHE QD . . 5.020 4.892 4.781 5.028 0.008 17 0 "[ . 1 . 2]" 1
178 1 15 PRO HG2 1 28 PHE HB3 . . 5.500 5.078 4.899 5.283 . 0 0 "[ . 1 . 2]" 1
179 1 15 PRO HG2 1 87 VAL MG1 . . 5.020 3.624 2.055 5.066 0.046 2 0 "[ . 1 . 2]" 1
180 1 15 PRO HG2 1 87 VAL QG . . 3.900 2.954 2.050 3.327 . 0 0 "[ . 1 . 2]" 1
181 1 15 PRO HG2 1 87 VAL MG2 . . 5.020 3.763 2.894 5.051 0.031 7 0 "[ . 1 . 2]" 1
182 1 15 PRO HG2 1 89 PHE QD . . 3.390 2.038 1.988 2.117 . 0 0 "[ . 1 . 2]" 1
183 1 15 PRO HG3 1 28 PHE HB2 . . 5.500 5.219 5.049 5.417 . 0 0 "[ . 1 . 2]" 1
184 1 15 PRO HG3 1 28 PHE HB3 . . 5.500 4.977 4.861 5.244 . 0 0 "[ . 1 . 2]" 1
185 1 15 PRO HG3 1 30 ALA HA . . 4.810 4.236 4.106 4.622 . 0 0 "[ . 1 . 2]" 1
186 1 15 PRO HG3 1 30 ALA MB . . 3.790 2.349 2.093 2.712 . 0 0 "[ . 1 . 2]" 1
187 1 15 PRO HG3 1 41 TRP HH2 . . 4.330 4.238 3.942 4.346 0.016 7 0 "[ . 1 . 2]" 1
188 1 15 PRO HG3 1 41 TRP HZ3 . . 4.490 4.318 4.076 4.515 0.025 2 0 "[ . 1 . 2]" 1
189 1 15 PRO HG3 1 80 VAL MG1 . . 3.650 2.001 1.971 2.067 . 0 0 "[ . 1 . 2]" 1
190 1 15 PRO HG3 1 80 VAL MG2 . . 4.800 3.487 3.392 3.626 . 0 0 "[ . 1 . 2]" 1
191 1 15 PRO HG3 1 87 VAL QG . . 5.330 3.219 2.784 3.808 . 0 0 "[ . 1 . 2]" 1
192 1 16 ARG HA 1 16 ARG HD2 . . 5.440 4.526 3.528 5.403 . 0 0 "[ . 1 . 2]" 1
193 1 16 ARG HA 1 16 ARG QD . . 4.660 3.948 3.120 4.265 . 0 0 "[ . 1 . 2]" 1
194 1 16 ARG HA 1 16 ARG HD3 . . 5.440 4.419 3.270 5.037 . 0 0 "[ . 1 . 2]" 1
195 1 16 ARG HA 1 16 ARG QG . . 3.710 2.580 2.032 3.349 . 0 0 "[ . 1 . 2]" 1
196 1 16 ARG HA 1 17 SER HA . . 4.690 4.307 4.296 4.317 . 0 0 "[ . 1 . 2]" 1
197 1 16 ARG QB 1 16 ARG QD . . 3.280 2.106 1.972 2.284 . 0 0 "[ . 1 . 2]" 1
198 1 16 ARG QB 1 16 ARG QG . . 2.340 2.063 2.023 2.087 . 0 0 "[ . 1 . 2]" 1
199 1 17 SER HA 1 28 PHE QD . . 4.120 3.954 3.637 4.132 0.012 19 0 "[ . 1 . 2]" 1
200 1 17 SER HA 1 28 PHE QE . . 4.380 4.305 4.082 4.419 0.039 1 0 "[ . 1 . 2]" 1
201 1 17 SER HA 1 89 PHE HB2 . . 4.560 2.630 2.376 2.932 . 0 0 "[ . 1 . 2]" 1
202 1 17 SER HA 1 89 PHE QB . . 3.960 2.599 2.353 2.894 . 0 0 "[ . 1 . 2]" 1
203 1 17 SER HA 1 89 PHE HB3 . . 4.560 4.065 3.811 4.447 . 0 0 "[ . 1 . 2]" 1
204 1 17 SER HA 1 89 PHE QD . . 3.430 2.982 2.858 3.215 . 0 0 "[ . 1 . 2]" 1
205 1 17 SER HA 1 90 ASP QB . . 4.980 4.754 4.316 4.989 0.009 1 0 "[ . 1 . 2]" 1
206 1 17 SER QB 1 28 PHE QE . . 5.340 5.261 5.031 5.355 0.015 19 0 "[ . 1 . 2]" 1
207 1 17 SER QB 1 89 PHE QD . . 5.200 4.006 3.628 4.530 . 0 0 "[ . 1 . 2]" 1
208 1 17 SER QB 1 90 ASP QB . . 3.800 2.848 2.451 3.528 . 0 0 "[ . 1 . 2]" 1
209 1 18 VAL H 1 28 PHE QD . . 5.500 4.077 3.692 4.328 . 0 0 "[ . 1 . 2]" 1
210 1 18 VAL H 1 90 ASP H . . 5.210 5.198 5.024 5.230 0.020 17 0 "[ . 1 . 2]" 1
211 1 18 VAL HA 1 19 GLU HA . . 4.810 4.417 4.380 4.522 . 0 0 "[ . 1 . 2]" 1
212 1 18 VAL HB 1 28 PHE QE . . 4.970 3.903 2.269 4.917 . 0 0 "[ . 1 . 2]" 1
213 1 18 VAL QG 1 19 GLU HA . . 4.620 3.669 3.402 4.010 . 0 0 "[ . 1 . 2]" 1
214 1 18 VAL QG 1 28 PHE QD . . 3.340 2.366 1.921 2.721 . 0 0 "[ . 1 . 2]" 1
215 1 18 VAL QG 1 28 PHE QE . . 3.120 2.341 1.883 3.127 0.007 13 0 "[ . 1 . 2]" 1
216 1 18 VAL QG 1 89 PHE QD . . 4.370 4.109 3.776 4.376 0.006 19 0 "[ . 1 . 2]" 1
217 1 18 VAL MG1 1 19 GLU HA . . 5.500 4.487 3.702 5.502 0.002 4 0 "[ . 1 . 2]" 1
218 1 18 VAL MG2 1 19 GLU HA . . 5.500 4.418 3.561 5.526 0.026 19 0 "[ . 1 . 2]" 1
219 1 19 GLU H 1 19 GLU QG . . 3.350 2.067 1.933 2.918 . 0 0 "[ . 1 . 2]" 1
220 1 19 GLU HA 1 19 GLU HG2 . . 4.170 3.618 3.349 3.758 . 0 0 "[ . 1 . 2]" 1
221 1 19 GLU HA 1 19 GLU QG . . 3.630 3.296 2.486 3.376 . 0 0 "[ . 1 . 2]" 1
222 1 19 GLU HA 1 19 GLU HG3 . . 4.170 3.856 2.563 4.178 0.008 20 0 "[ . 1 . 2]" 1
223 1 19 GLU HA 1 20 VAL HA . . 4.880 4.416 4.400 4.442 . 0 0 "[ . 1 . 2]" 1
224 1 19 GLU HA 1 20 VAL MG1 . . 5.500 3.963 3.724 4.057 . 0 0 "[ . 1 . 2]" 1
225 1 19 GLU HA 1 20 VAL MG2 . . 4.430 3.614 3.517 3.776 . 0 0 "[ . 1 . 2]" 1
226 1 19 GLU HA 1 91 LEU HA . . 5.490 4.675 4.309 4.864 . 0 0 "[ . 1 . 2]" 1
227 1 19 GLU HA 1 91 LEU QD . . 4.580 3.461 2.557 4.415 . 0 0 "[ . 1 . 2]" 1
228 1 19 GLU HA 1 92 LYS HA . . 5.270 4.641 4.145 5.055 . 0 0 "[ . 1 . 2]" 1
229 1 19 GLU HA 1 92 LYS QB . . 3.770 2.763 2.266 3.289 . 0 0 "[ . 1 . 2]" 1
230 1 19 GLU HA 1 92 LYS HD2 . . 5.500 4.964 4.250 5.504 0.004 1 0 "[ . 1 . 2]" 1
231 1 19 GLU HA 1 92 LYS HD3 . . 5.500 4.838 4.152 5.500 0.000 1 0 "[ . 1 . 2]" 1
232 1 19 GLU HA 1 92 LYS QG . . 5.250 4.765 4.344 5.239 . 0 0 "[ . 1 . 2]" 1
233 1 19 GLU HA 1 93 VAL HA . . 4.670 4.015 3.755 4.187 . 0 0 "[ . 1 . 2]" 1
234 1 19 GLU HA 1 93 VAL MG1 . . 5.500 5.580 5.559 5.604 0.104 12 0 "[ . 1 . 2]" 1
235 1 19 GLU HA 1 93 VAL MG2 . . 5.500 5.116 4.899 5.528 0.028 19 0 "[ . 1 . 2]" 1
236 1 19 GLU HA 1 94 ILE MD . . 4.940 4.339 3.992 4.587 . 0 0 "[ . 1 . 2]" 1
237 1 19 GLU HA 1 94 ILE HG12 . . 5.290 4.942 4.414 5.171 . 0 0 "[ . 1 . 2]" 1
238 1 19 GLU QB 1 94 ILE MD . . 3.990 2.634 2.100 3.433 . 0 0 "[ . 1 . 2]" 1
239 1 19 GLU QB 1 94 ILE HG12 . . 4.560 2.822 2.165 3.043 . 0 0 "[ . 1 . 2]" 1
240 1 19 GLU QB 1 94 ILE HG13 . . 4.720 2.681 2.351 2.925 . 0 0 "[ . 1 . 2]" 1
241 1 19 GLU QB 1 94 ILE MG . . 4.570 4.521 4.035 4.590 0.020 17 0 "[ . 1 . 2]" 1
242 1 19 GLU QG 1 20 VAL H . . 4.860 4.258 3.908 4.361 . 0 0 "[ . 1 . 2]" 1
243 1 19 GLU QG 1 94 ILE HG12 . . 4.620 3.985 2.238 4.622 0.002 13 0 "[ . 1 . 2]" 1
244 1 19 GLU QG 1 94 ILE HG13 . . 4.530 4.019 2.714 4.529 . 0 0 "[ . 1 . 2]" 1
245 1 20 VAL H 1 20 VAL HB . . 3.950 3.844 3.773 3.937 . 0 0 "[ . 1 . 2]" 1
246 1 20 VAL H 1 20 VAL MG1 . . 3.620 3.262 3.141 3.328 . 0 0 "[ . 1 . 2]" 1
247 1 20 VAL H 1 21 ALA H . . 4.250 4.325 4.280 4.372 0.122 12 0 "[ . 1 . 2]" 1
248 1 20 VAL H 1 91 LEU QD . . 4.070 3.499 2.842 4.088 0.018 5 0 "[ . 1 . 2]" 1
249 1 20 VAL HA 1 20 VAL MG1 . . 3.060 2.168 2.125 2.277 . 0 0 "[ . 1 . 2]" 1
250 1 20 VAL HA 1 20 VAL MG2 . . 3.610 3.186 3.178 3.195 . 0 0 "[ . 1 . 2]" 1
251 1 20 VAL HA 1 94 ILE MD . . 4.100 2.818 2.013 3.156 . 0 0 "[ . 1 . 2]" 1
252 1 20 VAL HB 1 21 ALA MB . . 4.980 4.423 4.316 4.490 . 0 0 "[ . 1 . 2]" 1
253 1 20 VAL HB 1 24 SER QB . . 3.980 2.287 2.012 2.682 . 0 0 "[ . 1 . 2]" 1
254 1 20 VAL HB 1 70 VAL MG1 . . 4.390 3.269 3.150 3.453 . 0 0 "[ . 1 . 2]" 1
255 1 20 VAL HB 1 91 LEU QD . . 5.240 4.718 4.359 5.138 . 0 0 "[ . 1 . 2]" 1
256 1 20 VAL MG1 1 21 ALA H . . 4.320 3.697 3.610 3.850 . 0 0 "[ . 1 . 2]" 1
257 1 20 VAL MG1 1 24 SER QB . . 4.560 3.331 3.102 3.672 . 0 0 "[ . 1 . 2]" 1
258 1 20 VAL MG1 1 25 PRO HA . . 5.500 4.521 4.324 4.866 . 0 0 "[ . 1 . 2]" 1
259 1 20 VAL MG1 1 26 ALA HA . . 3.520 2.270 2.153 2.388 . 0 0 "[ . 1 . 2]" 1
260 1 20 VAL MG2 1 21 ALA HA . . 4.700 4.529 4.319 4.642 . 0 0 "[ . 1 . 2]" 1
261 1 20 VAL MG2 1 25 PRO HA . . 4.980 4.927 4.749 5.026 0.046 3 0 "[ . 1 . 2]" 1
262 1 20 VAL MG2 1 26 ALA H . . 5.470 4.221 4.054 4.367 . 0 0 "[ . 1 . 2]" 1
263 1 20 VAL MG2 1 26 ALA HA . . 3.920 3.847 3.718 3.932 0.012 19 0 "[ . 1 . 2]" 1
264 1 20 VAL MG2 1 26 ALA MB . . 3.060 1.836 1.770 1.894 . 0 0 "[ . 1 . 2]" 1
265 1 20 VAL MG2 1 70 VAL HB . . 3.800 3.524 3.369 3.712 . 0 0 "[ . 1 . 2]" 1
266 1 20 VAL MG2 1 70 VAL MG1 . . 3.010 2.012 1.907 2.154 . 0 0 "[ . 1 . 2]" 1
267 1 20 VAL MG2 1 70 VAL MG2 . . 3.280 1.888 1.794 2.118 . 0 0 "[ . 1 . 2]" 1
268 1 20 VAL MG2 1 91 LEU QD . . 3.540 2.327 1.891 2.632 . 0 0 "[ . 1 . 2]" 1
269 1 20 VAL MG2 1 93 VAL HA . . 4.240 3.135 3.057 3.250 . 0 0 "[ . 1 . 2]" 1
270 1 21 ALA H 1 94 ILE MD . . 3.500 3.099 2.686 3.507 0.007 6 0 "[ . 1 . 2]" 1
271 1 21 ALA HA 1 70 VAL MG2 . . 5.500 5.567 5.550 5.588 0.088 7 0 "[ . 1 . 2]" 1
272 1 21 ALA HA 1 93 VAL HA . . 5.150 4.071 4.041 4.109 . 0 0 "[ . 1 . 2]" 1
273 1 21 ALA HA 1 93 VAL QG . . 4.380 2.939 2.435 3.149 . 0 0 "[ . 1 . 2]" 1
274 1 21 ALA HA 1 94 ILE HA . . 4.430 4.048 3.931 4.327 . 0 0 "[ . 1 . 2]" 1
275 1 21 ALA HA 1 94 ILE HB . . 3.400 2.148 1.993 2.498 . 0 0 "[ . 1 . 2]" 1
276 1 21 ALA HA 1 94 ILE MD . . 4.100 3.837 3.696 4.080 . 0 0 "[ . 1 . 2]" 1
277 1 21 ALA HA 1 94 ILE HG12 . . 4.980 4.675 4.521 4.986 0.006 2 0 "[ . 1 . 2]" 1
278 1 21 ALA HA 1 94 ILE HG13 . . 4.030 3.495 3.341 3.810 . 0 0 "[ . 1 . 2]" 1
279 1 21 ALA HA 1 94 ILE MG . . 4.030 3.693 3.540 3.980 . 0 0 "[ . 1 . 2]" 1
280 1 21 ALA MB 1 93 VAL HA . . 5.340 5.373 5.358 5.395 0.055 6 0 "[ . 1 . 2]" 1
281 1 21 ALA MB 1 94 ILE HB . . 4.060 2.138 1.990 2.490 . 0 0 "[ . 1 . 2]" 1
282 1 22 ALA H 1 22 ALA MB . . 2.970 2.230 2.182 2.239 . 0 0 "[ . 1 . 2]" 1
283 1 22 ALA HA 1 23 GLY H . . 3.170 2.147 2.145 2.149 . 0 0 "[ . 1 . 2]" 1
284 1 22 ALA HA 1 93 VAL QG . . 3.520 2.968 2.682 3.197 . 0 0 "[ . 1 . 2]" 1
285 1 22 ALA MB 1 23 GLY H . . 3.760 3.274 3.207 3.310 . 0 0 "[ . 1 . 2]" 1
286 1 22 ALA MB 1 24 SER H . . 4.790 4.342 4.271 4.432 . 0 0 "[ . 1 . 2]" 1
287 1 22 ALA MB 1 71 GLY HA3 . . 4.380 3.720 3.602 3.859 . 0 0 "[ . 1 . 2]" 1
288 1 22 ALA MB 1 72 PRO HD2 . . 4.620 3.166 2.817 3.357 . 0 0 "[ . 1 . 2]" 1
289 1 22 ALA MB 1 72 PRO QD . . 3.890 1.896 1.868 1.937 . 0 0 "[ . 1 . 2]" 1
290 1 22 ALA MB 1 72 PRO HD3 . . 4.620 1.912 1.878 1.954 . 0 0 "[ . 1 . 2]" 1
291 1 22 ALA MB 1 72 PRO QG . . 5.200 2.973 2.688 3.156 . 0 0 "[ . 1 . 2]" 1
292 1 22 ALA MB 1 93 VAL QG . . 3.120 3.013 2.618 3.202 0.082 20 0 "[ . 1 . 2]" 1
293 1 23 GLY H 1 24 SER H . . 3.510 3.001 2.966 3.040 . 0 0 "[ . 1 . 2]" 1
294 1 24 SER H 1 24 SER QB . . 3.500 2.245 2.056 2.688 . 0 0 "[ . 1 . 2]" 1
295 1 24 SER HA 1 25 PRO HD2 . . 3.510 2.245 2.173 2.330 . 0 0 "[ . 1 . 2]" 1
296 1 24 SER HA 1 25 PRO HD3 . . 3.510 2.258 2.250 2.274 . 0 0 "[ . 1 . 2]" 1
297 1 24 SER HA 1 25 PRO HG2 . . 5.440 4.387 4.330 4.456 . 0 0 "[ . 1 . 2]" 1
298 1 24 SER HA 1 25 PRO QG . . 4.670 3.909 3.869 3.958 . 0 0 "[ . 1 . 2]" 1
299 1 24 SER HA 1 25 PRO HG3 . . 5.440 4.388 4.356 4.430 . 0 0 "[ . 1 . 2]" 1
300 1 24 SER QB 1 25 PRO QG . . 5.180 4.315 3.656 4.705 . 0 0 "[ . 1 . 2]" 1
301 1 25 PRO HA 1 68 ARG HA . . 3.750 2.010 1.965 2.116 . 0 0 "[ . 1 . 2]" 1
302 1 25 PRO HA 1 70 VAL MG1 . . 4.040 3.069 3.018 3.113 . 0 0 "[ . 1 . 2]" 1
303 1 25 PRO HA 1 70 VAL MG2 . . 5.340 5.494 5.455 5.528 0.188 18 0 "[ . 1 . 2]" 1
304 1 25 PRO QB 1 68 ARG HA . . 3.790 3.324 3.209 3.412 . 0 0 "[ . 1 . 2]" 1
305 1 25 PRO QB 1 68 ARG QG . . 5.170 2.386 2.015 2.718 . 0 0 "[ . 1 . 2]" 1
306 1 25 PRO HB2 1 68 ARG HA . . 4.360 4.315 4.149 4.385 0.025 4 0 "[ . 1 . 2]" 1
307 1 25 PRO HB3 1 68 ARG HA . . 4.360 3.458 3.340 3.562 . 0 0 "[ . 1 . 2]" 1
308 1 26 ALA H 1 26 ALA MB . . 3.430 2.573 2.484 2.636 . 0 0 "[ . 1 . 2]" 1
309 1 26 ALA H 1 27 VAL H . . 4.800 4.259 4.207 4.338 . 0 0 "[ . 1 . 2]" 1
310 1 26 ALA H 1 27 VAL QG . . 5.440 4.593 3.606 4.957 . 0 0 "[ . 1 . 2]" 1
311 1 26 ALA H 1 66 THR HA . . 5.300 4.872 4.673 5.158 . 0 0 "[ . 1 . 2]" 1
312 1 26 ALA H 1 67 VAL H . . 3.990 3.292 3.039 3.677 . 0 0 "[ . 1 . 2]" 1
313 1 26 ALA HA 1 27 VAL QG . . 4.260 3.551 3.434 3.652 . 0 0 "[ . 1 . 2]" 1
314 1 26 ALA HA 1 70 VAL MG1 . . 4.540 4.110 3.943 4.225 . 0 0 "[ . 1 . 2]" 1
315 1 26 ALA MB 1 27 VAL H . . 3.760 3.159 3.136 3.179 . 0 0 "[ . 1 . 2]" 1
316 1 26 ALA MB 1 70 VAL HB . . 3.370 3.216 2.953 3.373 0.003 20 0 "[ . 1 . 2]" 1
317 1 27 VAL H 1 27 VAL QG . . 3.580 2.169 1.976 2.652 . 0 0 "[ . 1 . 2]" 1
318 1 27 VAL H 1 28 PHE H . . 4.780 4.431 4.416 4.448 . 0 0 "[ . 1 . 2]" 1
319 1 27 VAL H 1 28 PHE HA . . 4.960 4.884 4.842 4.935 . 0 0 "[ . 1 . 2]" 1
320 1 27 VAL H 1 66 THR HA . . 5.500 4.719 4.551 4.955 . 0 0 "[ . 1 . 2]" 1
321 1 27 VAL HA 1 27 VAL MG1 . . 3.430 3.004 2.195 3.202 . 0 0 "[ . 1 . 2]" 1
322 1 27 VAL HA 1 27 VAL QG . . 2.980 2.274 2.036 2.343 . 0 0 "[ . 1 . 2]" 1
323 1 27 VAL HA 1 27 VAL MG2 . . 3.430 2.399 2.337 2.466 . 0 0 "[ . 1 . 2]" 1
324 1 27 VAL HA 1 28 PHE HB2 . . 5.010 4.850 4.819 4.884 . 0 0 "[ . 1 . 2]" 1
325 1 27 VAL HA 1 28 PHE QD . . 3.950 3.370 3.299 3.430 . 0 0 "[ . 1 . 2]" 1
326 1 27 VAL HA 1 28 PHE QE . . 4.100 4.031 3.978 4.107 0.007 4 0 "[ . 1 . 2]" 1
327 1 27 VAL HA 1 64 THR MG . . 4.560 4.430 4.265 4.574 0.014 3 0 "[ . 1 . 2]" 1
328 1 27 VAL HA 1 65 LEU HB3 . . 5.500 4.707 4.629 4.768 . 0 0 "[ . 1 . 2]" 1
329 1 27 VAL HA 1 66 THR HA . . 3.380 2.302 2.110 2.518 . 0 0 "[ . 1 . 2]" 1
330 1 27 VAL HA 1 66 THR MG . . 4.500 3.754 3.408 3.968 . 0 0 "[ . 1 . 2]" 1
331 1 27 VAL HB 1 28 PHE QD . . 5.500 5.572 5.534 5.636 0.136 15 0 "[ . 1 . 2]" 1
332 1 27 VAL HB 1 64 THR MG . . 4.540 4.076 3.659 4.404 . 0 0 "[ . 1 . 2]" 1
333 1 27 VAL HB 1 66 THR HA . . 5.010 3.060 2.279 4.604 . 0 0 "[ . 1 . 2]" 1
334 1 27 VAL HB 1 66 THR MG . . 4.950 3.159 2.047 4.881 . 0 0 "[ . 1 . 2]" 1
335 1 27 VAL QG 1 28 PHE H . . 4.010 2.249 2.010 2.431 . 0 0 "[ . 1 . 2]" 1
336 1 27 VAL QG 1 28 PHE QD . . 4.320 3.908 3.782 4.013 . 0 0 "[ . 1 . 2]" 1
337 1 27 VAL QG 1 41 TRP HH2 . . 5.440 5.289 5.168 5.448 0.008 4 0 "[ . 1 . 2]" 1
338 1 27 VAL QG 1 64 THR HA . . 4.740 3.555 3.408 3.774 . 0 0 "[ . 1 . 2]" 1
339 1 27 VAL QG 1 64 THR HB . . 3.990 3.101 2.871 3.249 . 0 0 "[ . 1 . 2]" 1
340 1 27 VAL QG 1 64 THR MG . . 2.800 1.820 1.752 1.940 . 0 0 "[ . 1 . 2]" 1
341 1 27 VAL QG 1 66 THR H . . 3.710 3.610 3.164 3.728 0.018 5 0 "[ . 1 . 2]" 1
342 1 27 VAL QG 1 66 THR HA . . 3.870 2.583 1.774 2.898 . 0 0 "[ . 1 . 2]" 1
343 1 27 VAL MG1 1 64 THR HB . . 5.500 4.908 3.053 5.509 0.009 11 0 "[ . 1 . 2]" 1
344 1 27 VAL MG1 1 66 THR HA . . 4.420 3.898 1.982 4.377 . 0 0 "[ . 1 . 2]" 1
345 1 27 VAL MG2 1 64 THR HB . . 5.500 3.523 2.888 5.363 . 0 0 "[ . 1 . 2]" 1
346 1 27 VAL MG2 1 66 THR HA . . 4.420 2.653 2.000 2.944 . 0 0 "[ . 1 . 2]" 1
347 1 28 PHE H 1 28 PHE QE . . 4.230 4.214 4.142 4.265 0.035 8 0 "[ . 1 . 2]" 1
348 1 28 PHE H 1 29 GLU H . . 5.070 4.361 4.304 4.494 . 0 0 "[ . 1 . 2]" 1
349 1 28 PHE H 1 29 GLU HA . . 5.500 4.868 4.828 4.960 . 0 0 "[ . 1 . 2]" 1
350 1 28 PHE H 1 65 LEU H . . 4.250 2.902 2.800 3.019 . 0 0 "[ . 1 . 2]" 1
351 1 28 PHE H 1 65 LEU HG . . 4.800 4.597 4.361 4.691 . 0 0 "[ . 1 . 2]" 1
352 1 28 PHE HA 1 29 GLU H . . 3.060 2.164 2.142 2.269 . 0 0 "[ . 1 . 2]" 1
353 1 28 PHE HA 1 41 TRP HH2 . . 5.500 5.144 4.931 5.368 . 0 0 "[ . 1 . 2]" 1
354 1 28 PHE HA 1 41 TRP HZ3 . . 5.500 5.163 4.949 5.367 . 0 0 "[ . 1 . 2]" 1
355 1 28 PHE HA 1 64 THR MG . . 5.070 4.244 4.035 4.405 . 0 0 "[ . 1 . 2]" 1
356 1 28 PHE HA 1 65 LEU HB3 . . 5.500 5.293 5.196 5.389 . 0 0 "[ . 1 . 2]" 1
357 1 28 PHE HB2 1 41 TRP HE3 . . 5.500 4.440 4.265 4.674 . 0 0 "[ . 1 . 2]" 1
358 1 28 PHE HB2 1 65 LEU HB2 . . 4.790 4.308 4.205 4.471 . 0 0 "[ . 1 . 2]" 1
359 1 28 PHE HB2 1 65 LEU HB3 . . 5.030 2.838 2.728 2.983 . 0 0 "[ . 1 . 2]" 1
360 1 28 PHE HB2 1 65 LEU HG . . 5.500 5.218 5.027 5.364 . 0 0 "[ . 1 . 2]" 1
361 1 28 PHE HB3 1 29 GLU H . . 4.190 3.309 2.875 3.453 . 0 0 "[ . 1 . 2]" 1
362 1 28 PHE QD 1 29 GLU H . . 4.780 4.618 4.394 4.698 . 0 0 "[ . 1 . 2]" 1
363 1 28 PHE QD 1 41 TRP HZ3 . . 3.510 3.347 3.095 3.534 0.024 16 0 "[ . 1 . 2]" 1
364 1 28 PHE QD 1 64 THR HA . . 5.500 5.562 5.517 5.602 0.102 1 0 "[ . 1 . 2]" 1
365 1 28 PHE QD 1 65 LEU HB2 . . 4.110 3.949 3.748 4.028 . 0 0 "[ . 1 . 2]" 1
366 1 28 PHE QD 1 65 LEU HB3 . . 3.860 2.238 2.047 2.315 . 0 0 "[ . 1 . 2]" 1
367 1 28 PHE QD 1 65 LEU MD1 . . 4.490 4.354 4.210 4.434 . 0 0 "[ . 1 . 2]" 1
368 1 28 PHE QD 1 65 LEU MD2 . . 3.110 2.179 1.967 2.380 . 0 0 "[ . 1 . 2]" 1
369 1 28 PHE QD 1 65 LEU HG . . 3.470 3.339 2.999 3.442 . 0 0 "[ . 1 . 2]" 1
370 1 28 PHE QD 1 66 THR HA . . 5.330 4.438 4.298 4.674 . 0 0 "[ . 1 . 2]" 1
371 1 28 PHE QD 1 67 VAL QG . . 3.600 3.251 3.033 3.464 . 0 0 "[ . 1 . 2]" 1
372 1 28 PHE QD 1 89 PHE QB . . 4.780 4.616 4.512 4.717 . 0 0 "[ . 1 . 2]" 1
373 1 28 PHE QD 1 89 PHE QD . . 3.430 3.419 3.290 3.465 0.035 9 0 "[ . 1 . 2]" 1
374 1 28 PHE QD 1 91 LEU HA . . 5.500 5.473 5.182 5.583 0.083 20 0 "[ . 1 . 2]" 1
375 1 28 PHE QD 1 91 LEU HB2 . . 5.500 5.222 4.945 5.531 0.031 11 0 "[ . 1 . 2]" 1
376 1 28 PHE QE 1 41 TRP HZ3 . . 5.380 5.054 4.851 5.250 . 0 0 "[ . 1 . 2]" 1
377 1 28 PHE QE 1 65 LEU MD2 . . 3.780 2.392 2.065 2.742 . 0 0 "[ . 1 . 2]" 1
378 1 28 PHE QE 1 65 LEU HG . . 3.850 3.809 3.327 3.881 0.031 11 0 "[ . 1 . 2]" 1
379 1 28 PHE QE 1 66 THR HA . . 5.500 4.824 4.614 5.159 . 0 0 "[ . 1 . 2]" 1
380 1 28 PHE QE 1 67 VAL HB . . 4.730 3.728 3.088 4.766 0.036 6 0 "[ . 1 . 2]" 1
381 1 28 PHE QE 1 78 TYR QD . . 4.510 4.215 3.960 4.419 . 0 0 "[ . 1 . 2]" 1
382 1 28 PHE QE 1 78 TYR QE . . 3.520 3.495 3.289 3.576 0.056 15 0 "[ . 1 . 2]" 1
383 1 28 PHE QE 1 89 PHE QD . . 3.420 3.449 3.379 3.480 0.060 12 0 "[ . 1 . 2]" 1
384 1 28 PHE QE 1 91 LEU HA . . 4.050 3.632 3.338 3.791 . 0 0 "[ . 1 . 2]" 1
385 1 28 PHE QE 1 91 LEU HB2 . . 4.290 3.314 2.903 3.686 . 0 0 "[ . 1 . 2]" 1
386 1 28 PHE QE 1 91 LEU HB3 . . 5.260 4.849 4.588 5.255 . 0 0 "[ . 1 . 2]" 1
387 1 28 PHE QE 1 91 LEU QD . . 3.100 2.105 1.895 2.661 . 0 0 "[ . 1 . 2]" 1
388 1 28 PHE QE 1 91 LEU HG . . 5.150 4.071 3.249 5.103 . 0 0 "[ . 1 . 2]" 1
389 1 29 GLU H 1 29 GLU QB . . 3.510 2.355 2.227 2.684 . 0 0 "[ . 1 . 2]" 1
390 1 29 GLU H 1 30 ALA H . . 4.730 4.357 4.257 4.395 . 0 0 "[ . 1 . 2]" 1
391 1 29 GLU HA 1 29 GLU HG2 . . 4.230 2.734 2.039 3.442 . 0 0 "[ . 1 . 2]" 1
392 1 29 GLU HA 1 29 GLU QG . . 3.700 2.246 2.012 2.524 . 0 0 "[ . 1 . 2]" 1
393 1 29 GLU HA 1 29 GLU HG3 . . 4.230 2.659 2.031 3.262 . 0 0 "[ . 1 . 2]" 1
394 1 29 GLU HA 1 30 ALA MB . . 4.590 3.992 3.947 4.025 . 0 0 "[ . 1 . 2]" 1
395 1 29 GLU HA 1 41 TRP HH2 . . 4.400 3.956 3.811 4.188 . 0 0 "[ . 1 . 2]" 1
396 1 29 GLU HA 1 63 HIS H . . 5.500 4.968 4.613 5.414 . 0 0 "[ . 1 . 2]" 1
397 1 29 GLU HA 1 64 THR HA . . 3.320 2.558 2.379 2.659 . 0 0 "[ . 1 . 2]" 1
398 1 29 GLU HA 1 64 THR HB . . 5.300 4.799 4.427 5.130 . 0 0 "[ . 1 . 2]" 1
399 1 29 GLU HA 1 64 THR MG . . 3.480 2.390 1.915 2.832 . 0 0 "[ . 1 . 2]" 1
400 1 29 GLU QB 1 30 ALA H . . 4.240 3.578 3.358 3.855 . 0 0 "[ . 1 . 2]" 1
401 1 29 GLU QB 1 64 THR HA . . 4.700 4.563 4.161 4.719 0.019 17 0 "[ . 1 . 2]" 1
402 1 29 GLU QB 1 64 THR MG . . 3.960 3.156 2.322 3.686 . 0 0 "[ . 1 . 2]" 1
403 1 29 GLU HB2 1 64 THR HA . . 5.500 5.175 4.341 5.523 0.023 6 0 "[ . 1 . 2]" 1
404 1 29 GLU HB2 1 64 THR MG . . 4.630 3.551 2.345 4.202 . 0 0 "[ . 1 . 2]" 1
405 1 29 GLU HB3 1 64 THR HA . . 5.500 5.193 4.509 5.515 0.015 17 0 "[ . 1 . 2]" 1
406 1 29 GLU HB3 1 64 THR MG . . 4.630 3.826 2.963 4.327 . 0 0 "[ . 1 . 2]" 1
407 1 29 GLU QG 1 64 THR HA . . 4.760 3.692 3.474 3.990 . 0 0 "[ . 1 . 2]" 1
408 1 29 GLU QG 1 64 THR MG . . 3.710 2.044 1.822 2.466 . 0 0 "[ . 1 . 2]" 1
409 1 29 GLU HG2 1 64 THR HA . . 5.430 4.423 3.574 5.405 . 0 0 "[ . 1 . 2]" 1
410 1 29 GLU HG2 1 64 THR MG . . 4.260 2.649 2.037 3.830 . 0 0 "[ . 1 . 2]" 1
411 1 29 GLU HG3 1 64 THR HA . . 5.430 4.184 3.545 4.826 . 0 0 "[ . 1 . 2]" 1
412 1 29 GLU HG3 1 64 THR MG . . 4.260 2.190 2.008 2.589 . 0 0 "[ . 1 . 2]" 1
413 1 30 ALA H 1 41 TRP HZ3 . . 5.500 5.545 5.520 5.580 0.080 4 0 "[ . 1 . 2]" 1
414 1 30 ALA H 1 63 HIS H . . 4.330 3.391 3.117 3.777 . 0 0 "[ . 1 . 2]" 1
415 1 30 ALA HA 1 41 TRP HH2 . . 4.920 4.626 4.438 4.770 . 0 0 "[ . 1 . 2]" 1
416 1 30 ALA MB 1 31 GLU H . . 3.790 3.212 2.448 3.278 . 0 0 "[ . 1 . 2]" 1
417 1 30 ALA MB 1 31 GLU HA . . 4.890 4.179 3.935 4.234 . 0 0 "[ . 1 . 2]" 1
418 1 30 ALA MB 1 39 VAL MG1 . . 4.400 3.165 2.907 3.391 . 0 0 "[ . 1 . 2]" 1
419 1 30 ALA MB 1 39 VAL QG . . 3.840 3.044 2.812 3.257 . 0 0 "[ . 1 . 2]" 1
420 1 30 ALA MB 1 39 VAL MG2 . . 4.400 3.955 3.738 4.211 . 0 0 "[ . 1 . 2]" 1
421 1 30 ALA MB 1 41 TRP HH2 . . 3.540 2.269 2.014 2.520 . 0 0 "[ . 1 . 2]" 1
422 1 30 ALA MB 1 41 TRP HZ3 . . 4.360 3.815 3.605 4.104 . 0 0 "[ . 1 . 2]" 1
423 1 30 ALA MB 1 63 HIS HA . . 5.500 5.175 4.922 5.336 . 0 0 "[ . 1 . 2]" 1
424 1 30 ALA MB 1 63 HIS HB2 . . 4.430 3.007 2.865 3.277 . 0 0 "[ . 1 . 2]" 1
425 1 30 ALA MB 1 63 HIS QB . . 3.620 2.906 2.782 3.142 . 0 0 "[ . 1 . 2]" 1
426 1 30 ALA MB 1 63 HIS HB3 . . 4.430 3.863 3.673 4.144 . 0 0 "[ . 1 . 2]" 1
427 1 30 ALA MB 1 80 VAL MG1 . . 3.550 3.280 3.209 3.536 . 0 0 "[ . 1 . 2]" 1
428 1 30 ALA MB 1 80 VAL MG2 . . 3.480 3.065 2.947 3.245 . 0 0 "[ . 1 . 2]" 1
429 1 31 GLU HA 1 31 GLU HG2 . . 3.720 2.870 2.680 3.074 . 0 0 "[ . 1 . 2]" 1
430 1 31 GLU HA 1 31 GLU HG3 . . 4.090 2.501 2.337 2.689 . 0 0 "[ . 1 . 2]" 1
431 1 31 GLU HA 1 61 THR HB . . 4.810 4.547 4.292 4.748 . 0 0 "[ . 1 . 2]" 1
432 1 31 GLU HA 1 62 ARG HA . . 3.310 2.182 1.981 2.324 . 0 0 "[ . 1 . 2]" 1
433 1 31 GLU HA 1 62 ARG QB . . 4.970 3.906 3.252 4.200 . 0 0 "[ . 1 . 2]" 1
434 1 31 GLU HA 1 62 ARG HG2 . . 5.500 4.397 3.684 5.507 0.007 13 0 "[ . 1 . 2]" 1
435 1 31 GLU HA 1 62 ARG HG3 . . 5.500 4.623 2.572 5.523 0.023 4 0 "[ . 1 . 2]" 1
436 1 31 GLU QB 1 62 ARG HA . . 3.960 3.481 3.137 3.677 . 0 0 "[ . 1 . 2]" 1
437 1 31 GLU QB 1 63 HIS H . . 5.340 4.507 4.086 4.892 . 0 0 "[ . 1 . 2]" 1
438 1 31 GLU HB2 1 61 THR HB . . 5.500 5.510 5.497 5.526 0.026 2 0 "[ . 1 . 2]" 1
439 1 31 GLU HB2 1 62 ARG HA . . 4.630 3.865 3.219 4.638 0.008 6 0 "[ . 1 . 2]" 1
440 1 31 GLU HB3 1 61 THR HB . . 5.500 4.874 3.740 5.504 0.004 10 0 "[ . 1 . 2]" 1
441 1 31 GLU HB3 1 62 ARG HA . . 4.630 4.329 3.406 4.658 0.028 15 0 "[ . 1 . 2]" 1
442 1 31 GLU HG2 1 61 THR HB . . 4.290 3.338 2.763 4.300 0.010 18 0 "[ . 1 . 2]" 1
443 1 31 GLU HG2 1 62 ARG HA . . 4.380 3.419 2.192 4.147 . 0 0 "[ . 1 . 2]" 1
444 1 31 GLU HG3 1 62 ARG HA . . 3.660 2.580 2.081 2.888 . 0 0 "[ . 1 . 2]" 1
445 1 31 GLU HG3 1 62 ARG QB . . 3.360 3.108 2.119 3.372 0.012 2 0 "[ . 1 . 2]" 1
446 1 32 THR H 1 33 GLU H . . 5.160 4.575 4.563 4.585 . 0 0 "[ . 1 . 2]" 1
447 1 32 THR H 1 62 ARG H . . 5.500 4.883 4.613 5.096 . 0 0 "[ . 1 . 2]" 1
448 1 32 THR H 1 62 ARG HA . . 4.590 3.427 3.207 3.668 . 0 0 "[ . 1 . 2]" 1
449 1 32 THR H 1 62 ARG QB . . 5.340 5.188 4.516 5.344 0.004 11 0 "[ . 1 . 2]" 1
450 1 32 THR HA 1 32 THR MG . . 3.150 2.188 1.957 2.257 . 0 0 "[ . 1 . 2]" 1
451 1 32 THR HA 1 33 GLU HA . . 5.310 4.335 4.332 4.337 . 0 0 "[ . 1 . 2]" 1
452 1 32 THR HA 1 34 ARG H . . 3.850 3.857 3.810 3.887 0.037 12 0 "[ . 1 . 2]" 1
453 1 32 THR HA 1 39 VAL MG1 . . 5.500 5.498 5.393 5.541 0.041 19 0 "[ . 1 . 2]" 1
454 1 32 THR HA 1 39 VAL MG2 . . 5.500 4.379 4.262 4.474 . 0 0 "[ . 1 . 2]" 1
455 1 32 THR HA 1 82 ALA MB . . 5.390 3.972 3.842 4.093 . 0 0 "[ . 1 . 2]" 1
456 1 32 THR HB 1 33 GLU HA . . 5.460 4.511 4.455 4.537 . 0 0 "[ . 1 . 2]" 1
457 1 32 THR HB 1 34 ARG H . . 4.450 2.068 1.970 2.132 . 0 0 "[ . 1 . 2]" 1
458 1 32 THR HB 1 34 ARG HB2 . . 5.000 4.606 3.379 5.002 0.002 12 0 "[ . 1 . 2]" 1
459 1 32 THR HB 1 34 ARG HB3 . . 5.000 4.020 3.478 4.985 . 0 0 "[ . 1 . 2]" 1
460 1 32 THR HB 1 37 VAL QG . . 4.210 2.717 1.966 3.331 . 0 0 "[ . 1 . 2]" 1
461 1 32 THR HB 1 39 VAL QG . . 5.170 3.962 3.820 4.126 . 0 0 "[ . 1 . 2]" 1
462 1 32 THR HB 1 82 ALA MB . . 5.090 3.793 3.650 4.041 . 0 0 "[ . 1 . 2]" 1
463 1 32 THR MG 1 39 VAL HA . . 4.500 4.032 3.769 4.223 . 0 0 "[ . 1 . 2]" 1
464 1 32 THR MG 1 39 VAL HB . . 4.580 4.279 4.118 4.586 0.006 18 0 "[ . 1 . 2]" 1
465 1 32 THR MG 1 39 VAL MG1 . . 3.440 3.165 3.010 3.367 . 0 0 "[ . 1 . 2]" 1
466 1 32 THR MG 1 39 VAL MG2 . . 3.440 1.856 1.756 1.995 . 0 0 "[ . 1 . 2]" 1
467 1 32 THR MG 1 82 ALA MB . . 2.990 1.799 1.773 1.842 . 0 0 "[ . 1 . 2]" 1
468 1 32 THR MG 1 85 SER QB . . 5.340 4.457 4.148 4.819 . 0 0 "[ . 1 . 2]" 1
469 1 33 GLU H 1 33 GLU QB . . 3.190 2.220 2.170 2.268 . 0 0 "[ . 1 . 2]" 1
470 1 33 GLU H 1 34 ARG H . . 4.120 2.480 2.360 2.511 . 0 0 "[ . 1 . 2]" 1
471 1 33 GLU HA 1 33 GLU HG2 . . 3.830 2.163 2.045 3.082 . 0 0 "[ . 1 . 2]" 1
472 1 33 GLU HA 1 33 GLU HG3 . . 3.830 3.157 2.097 3.407 . 0 0 "[ . 1 . 2]" 1
473 1 33 GLU HA 1 34 ARG HA . . 5.380 4.458 4.441 4.506 . 0 0 "[ . 1 . 2]" 1
474 1 33 GLU HA 1 34 ARG QB . . 5.340 4.840 4.671 5.333 . 0 0 "[ . 1 . 2]" 1
475 1 33 GLU QB 1 34 ARG H . . 3.670 3.410 3.224 3.448 . 0 0 "[ . 1 . 2]" 1
476 1 34 ARG H 1 34 ARG QB . . 3.670 2.660 2.468 2.780 . 0 0 "[ . 1 . 2]" 1
477 1 34 ARG H 1 35 ALA MB . . 5.400 5.235 5.095 5.403 0.003 3 0 "[ . 1 . 2]" 1
478 1 34 ARG H 1 37 VAL QG . . 4.250 3.375 2.865 3.932 . 0 0 "[ . 1 . 2]" 1
479 1 34 ARG H 1 61 THR HA . . 5.500 5.288 4.518 5.498 . 0 0 "[ . 1 . 2]" 1
480 1 34 ARG H 1 61 THR HB . . 5.500 5.183 4.816 5.502 0.002 20 0 "[ . 1 . 2]" 1
481 1 34 ARG H 1 82 ALA MB . . 5.500 5.286 5.080 5.456 . 0 0 "[ . 1 . 2]" 1
482 1 34 ARG HA 1 34 ARG HD2 . . 5.320 4.100 2.170 4.568 . 0 0 "[ . 1 . 2]" 1
483 1 34 ARG HA 1 34 ARG QD . . 4.550 3.576 2.157 4.118 . 0 0 "[ . 1 . 2]" 1
484 1 34 ARG HA 1 34 ARG HD3 . . 5.320 4.219 2.607 4.985 . 0 0 "[ . 1 . 2]" 1
485 1 34 ARG HA 1 34 ARG HG2 . . 3.830 3.044 2.079 3.806 . 0 0 "[ . 1 . 2]" 1
486 1 34 ARG HA 1 34 ARG QG . . 3.320 2.385 2.059 2.962 . 0 0 "[ . 1 . 2]" 1
487 1 34 ARG HA 1 34 ARG HG3 . . 3.830 2.818 2.109 3.743 . 0 0 "[ . 1 . 2]" 1
488 1 34 ARG HA 1 35 ALA MB . . 4.670 3.906 3.866 3.956 . 0 0 "[ . 1 . 2]" 1
489 1 34 ARG HA 1 37 VAL QG . . 4.880 4.318 3.853 4.732 . 0 0 "[ . 1 . 2]" 1
490 1 34 ARG HA 1 61 THR MG . . 4.080 3.341 2.817 3.828 . 0 0 "[ . 1 . 2]" 1
491 1 34 ARG QB 1 34 ARG QD . . 3.190 2.091 1.942 2.304 . 0 0 "[ . 1 . 2]" 1
492 1 34 ARG QD 1 37 VAL QG . . 4.250 3.214 1.929 4.128 . 0 0 "[ . 1 . 2]" 1
493 1 34 ARG HD2 1 37 VAL MG1 . . 5.500 4.269 2.175 5.501 0.001 14 0 "[ . 1 . 2]" 1
494 1 34 ARG HD2 1 37 VAL MG2 . . 5.500 4.610 2.926 5.501 0.001 5 0 "[ . 1 . 2]" 1
495 1 34 ARG HD3 1 37 VAL MG1 . . 5.500 3.967 2.182 5.498 . 0 0 "[ . 1 . 2]" 1
496 1 34 ARG HD3 1 37 VAL MG2 . . 5.500 4.380 3.022 5.501 0.001 12 0 "[ . 1 . 2]" 1
497 1 34 ARG QG 1 37 VAL QG . . 3.580 3.083 2.403 3.586 0.006 20 0 "[ . 1 . 2]" 1
498 1 34 ARG HG2 1 37 VAL MG1 . . 4.860 3.703 2.472 4.865 0.005 20 0 "[ . 1 . 2]" 1
499 1 34 ARG HG2 1 37 VAL MG2 . . 4.860 3.957 3.270 4.864 0.004 20 0 "[ . 1 . 2]" 1
500 1 34 ARG HG3 1 37 VAL MG1 . . 4.860 4.369 2.996 4.859 . 0 0 "[ . 1 . 2]" 1
501 1 34 ARG HG3 1 37 VAL MG2 . . 4.860 4.574 3.198 4.862 0.002 17 0 "[ . 1 . 2]" 1
502 1 35 ALA HA 1 37 VAL H . . 4.270 3.412 3.188 3.753 . 0 0 "[ . 1 . 2]" 1
503 1 35 ALA MB 1 61 THR HA . . 4.610 3.969 3.465 4.601 . 0 0 "[ . 1 . 2]" 1
504 1 36 GLY H 1 37 VAL H . . 4.520 2.808 2.454 3.259 . 0 0 "[ . 1 . 2]" 1
505 1 37 VAL H 1 37 VAL QG . . 3.320 1.965 1.834 2.068 . 0 0 "[ . 1 . 2]" 1
506 1 37 VAL HA 1 37 VAL MG1 . . 3.200 2.561 2.165 3.201 0.001 16 0 "[ . 1 . 2]" 1
507 1 37 VAL HA 1 37 VAL MG2 . . 3.200 2.886 2.174 3.200 0.000 1 0 "[ . 1 . 2]" 1
508 1 37 VAL HB 1 38 LYS H . . 3.940 3.242 2.624 3.965 0.025 5 0 "[ . 1 . 2]" 1
509 1 37 VAL QG 1 38 LYS H . . 4.000 2.962 1.896 3.588 . 0 0 "[ . 1 . 2]" 1
510 1 38 LYS H 1 39 VAL H . . 5.160 4.377 4.074 4.600 . 0 0 "[ . 1 . 2]" 1
511 1 38 LYS HA 1 38 LYS HD2 . . 5.500 4.489 4.140 5.267 . 0 0 "[ . 1 . 2]" 1
512 1 38 LYS HA 1 38 LYS HD3 . . 5.500 4.482 4.312 4.940 . 0 0 "[ . 1 . 2]" 1
513 1 38 LYS HA 1 39 VAL H . . 2.880 2.178 2.140 2.337 . 0 0 "[ . 1 . 2]" 1
514 1 38 LYS QB 1 39 VAL H . . 4.100 3.492 2.548 3.955 . 0 0 "[ . 1 . 2]" 1
515 1 39 VAL H 1 40 ARG H . . 5.500 4.330 4.124 4.480 . 0 0 "[ . 1 . 2]" 1
516 1 39 VAL HA 1 39 VAL MG1 . . 3.470 2.350 2.282 2.398 . 0 0 "[ . 1 . 2]" 1
517 1 39 VAL HA 1 39 VAL QG . . 2.980 2.106 2.044 2.159 . 0 0 "[ . 1 . 2]" 1
518 1 39 VAL HA 1 39 VAL MG2 . . 3.470 2.379 2.303 2.459 . 0 0 "[ . 1 . 2]" 1
519 1 39 VAL HA 1 80 VAL MG2 . . 4.760 4.246 4.025 4.408 . 0 0 "[ . 1 . 2]" 1
520 1 39 VAL HA 1 82 ALA HA . . 3.820 2.268 2.038 2.567 . 0 0 "[ . 1 . 2]" 1
521 1 39 VAL HA 1 82 ALA MB . . 3.770 2.814 2.640 3.020 . 0 0 "[ . 1 . 2]" 1
522 1 39 VAL HA 1 83 GLY H . . 4.710 3.938 3.648 4.181 . 0 0 "[ . 1 . 2]" 1
523 1 39 VAL HB 1 63 HIS HB2 . . 5.450 3.445 3.074 3.733 . 0 0 "[ . 1 . 2]" 1
524 1 39 VAL HB 1 63 HIS QB . . 4.790 3.039 2.835 3.345 . 0 0 "[ . 1 . 2]" 1
525 1 39 VAL HB 1 63 HIS HB3 . . 5.450 3.392 3.085 3.776 . 0 0 "[ . 1 . 2]" 1
526 1 39 VAL HB 1 80 VAL MG2 . . 4.250 4.172 3.961 4.271 0.021 13 0 "[ . 1 . 2]" 1
527 1 39 VAL HB 1 82 ALA HA . . 5.500 5.058 4.728 5.433 . 0 0 "[ . 1 . 2]" 1
528 1 39 VAL HB 1 82 ALA MB . . 4.670 4.123 3.950 4.263 . 0 0 "[ . 1 . 2]" 1
529 1 39 VAL QG 1 40 ARG H . . 3.790 2.799 2.567 3.029 . 0 0 "[ . 1 . 2]" 1
530 1 39 VAL QG 1 41 TRP HA . . 5.440 4.254 4.120 4.372 . 0 0 "[ . 1 . 2]" 1
531 1 39 VAL QG 1 41 TRP HH2 . . 5.130 4.551 4.300 4.671 . 0 0 "[ . 1 . 2]" 1
532 1 39 VAL QG 1 41 TRP HZ2 . . 3.950 3.114 2.932 3.405 . 0 0 "[ . 1 . 2]" 1
533 1 39 VAL QG 1 41 TRP HZ3 . . 5.440 5.387 5.135 5.476 0.036 19 0 "[ . 1 . 2]" 1
534 1 39 VAL QG 1 63 HIS QB . . 3.530 2.611 2.368 2.772 . 0 0 "[ . 1 . 2]" 1
535 1 39 VAL QG 1 82 ALA MB . . 2.980 1.809 1.731 1.932 . 0 0 "[ . 1 . 2]" 1
536 1 39 VAL MG1 1 63 HIS HA . . 5.500 5.499 5.392 5.519 0.019 13 0 "[ . 1 . 2]" 1
537 1 39 VAL MG1 1 63 HIS HB2 . . 4.730 3.204 3.034 3.421 . 0 0 "[ . 1 . 2]" 1
538 1 39 VAL MG1 1 63 HIS HB3 . . 4.730 3.476 3.381 3.610 . 0 0 "[ . 1 . 2]" 1
539 1 39 VAL MG1 1 82 ALA HA . . 4.640 3.353 3.052 3.631 . 0 0 "[ . 1 . 2]" 1
540 1 39 VAL MG1 1 82 ALA MB . . 3.430 2.235 2.004 2.394 . 0 0 "[ . 1 . 2]" 1
541 1 39 VAL MG2 1 63 HIS HA . . 5.500 4.948 4.693 5.143 . 0 0 "[ . 1 . 2]" 1
542 1 39 VAL MG2 1 63 HIS HB2 . . 4.730 3.028 2.598 3.354 . 0 0 "[ . 1 . 2]" 1
543 1 39 VAL MG2 1 63 HIS HB3 . . 4.730 3.883 3.383 4.185 . 0 0 "[ . 1 . 2]" 1
544 1 39 VAL MG2 1 82 ALA HA . . 4.640 3.171 2.858 3.516 . 0 0 "[ . 1 . 2]" 1
545 1 39 VAL MG2 1 82 ALA MB . . 3.430 1.919 1.805 2.082 . 0 0 "[ . 1 . 2]" 1
546 1 40 ARG H 1 40 ARG QB . . 3.340 2.445 2.239 2.657 . 0 0 "[ . 1 . 2]" 1
547 1 40 ARG H 1 41 TRP H . . 4.900 4.562 4.527 4.592 . 0 0 "[ . 1 . 2]" 1
548 1 40 ARG H 1 81 ILE H . . 4.330 3.761 3.499 3.897 . 0 0 "[ . 1 . 2]" 1
549 1 40 ARG HA 1 40 ARG HD2 . . 5.440 4.823 4.173 5.399 . 0 0 "[ . 1 . 2]" 1
550 1 40 ARG HA 1 40 ARG HD3 . . 4.830 4.128 3.814 4.488 . 0 0 "[ . 1 . 2]" 1
551 1 40 ARG HA 1 40 ARG HG2 . . 4.200 3.439 2.429 4.209 0.009 16 0 "[ . 1 . 2]" 1
552 1 40 ARG HA 1 40 ARG QG . . 3.610 2.978 2.376 3.411 . 0 0 "[ . 1 . 2]" 1
553 1 40 ARG HA 1 40 ARG HG3 . . 4.200 3.494 3.211 3.605 . 0 0 "[ . 1 . 2]" 1
554 1 40 ARG QB 1 40 ARG HD2 . . 3.650 2.745 1.974 3.351 . 0 0 "[ . 1 . 2]" 1
555 1 40 ARG QB 1 41 TRP H . . 4.090 3.231 2.802 3.688 . 0 0 "[ . 1 . 2]" 1
556 1 40 ARG QB 1 81 ILE HB . . 4.850 3.532 2.519 4.347 . 0 0 "[ . 1 . 2]" 1
557 1 40 ARG HD2 1 81 ILE HB . . 3.930 2.685 2.229 3.323 . 0 0 "[ . 1 . 2]" 1
558 1 40 ARG HD2 1 81 ILE MD . . 4.430 2.506 1.909 3.280 . 0 0 "[ . 1 . 2]" 1
559 1 40 ARG HD2 1 81 ILE MG . . 4.570 4.132 3.652 4.566 . 0 0 "[ . 1 . 2]" 1
560 1 40 ARG HD3 1 41 TRP H . . 3.990 3.647 3.116 3.994 0.004 2 0 "[ . 1 . 2]" 1
561 1 40 ARG HD3 1 42 GLN H . . 4.830 4.363 3.759 4.824 . 0 0 "[ . 1 . 2]" 1
562 1 40 ARG HD3 1 42 GLN QB . . 5.090 3.231 2.599 4.096 . 0 0 "[ . 1 . 2]" 1
563 1 40 ARG HD3 1 81 ILE HB . . 5.350 3.918 3.410 4.242 . 0 0 "[ . 1 . 2]" 1
564 1 40 ARG HD3 1 81 ILE MD . . 4.770 3.565 2.445 4.159 . 0 0 "[ . 1 . 2]" 1
565 1 40 ARG HD3 1 81 ILE MG . . 5.500 5.274 4.865 5.512 0.012 19 0 "[ . 1 . 2]" 1
566 1 40 ARG QG 1 81 ILE QG . . 5.180 4.329 3.161 5.189 0.009 2 0 "[ . 1 . 2]" 1
567 1 41 TRP H 1 41 TRP HD1 . . 3.790 2.476 2.322 2.652 . 0 0 "[ . 1 . 2]" 1
568 1 41 TRP H 1 81 ILE H . . 5.500 4.993 4.875 5.064 . 0 0 "[ . 1 . 2]" 1
569 1 41 TRP HA 1 41 TRP HE3 . . 4.050 3.877 3.744 3.964 . 0 0 "[ . 1 . 2]" 1
570 1 41 TRP HA 1 48 ILE MD . . 4.330 4.135 3.955 4.257 . 0 0 "[ . 1 . 2]" 1
571 1 41 TRP HA 1 78 TYR QD . . 5.500 5.423 5.293 5.521 0.021 16 0 "[ . 1 . 2]" 1
572 1 41 TRP HA 1 80 VAL HA . . 3.450 2.365 2.311 2.433 . 0 0 "[ . 1 . 2]" 1
573 1 41 TRP HA 1 80 VAL HB . . 4.910 3.212 3.093 3.341 . 0 0 "[ . 1 . 2]" 1
574 1 41 TRP HA 1 80 VAL MG2 . . 4.220 2.795 2.484 3.186 . 0 0 "[ . 1 . 2]" 1
575 1 41 TRP HB2 1 41 TRP HE3 . . 4.050 3.894 3.862 3.942 . 0 0 "[ . 1 . 2]" 1
576 1 41 TRP HB2 1 48 ILE HB . . 4.240 2.185 1.992 2.386 . 0 0 "[ . 1 . 2]" 1
577 1 41 TRP HB2 1 48 ILE MD . . 3.960 3.357 3.153 3.600 . 0 0 "[ . 1 . 2]" 1
578 1 41 TRP HB2 1 48 ILE HG12 . . 5.500 5.105 4.932 5.256 . 0 0 "[ . 1 . 2]" 1
579 1 41 TRP HB2 1 48 ILE HG13 . . 5.500 4.512 4.100 4.862 . 0 0 "[ . 1 . 2]" 1
580 1 41 TRP HB2 1 48 ILE MG . . 4.400 2.813 2.424 3.154 . 0 0 "[ . 1 . 2]" 1
581 1 41 TRP HB2 1 56 LEU QD . . 4.450 2.730 2.288 3.120 . 0 0 "[ . 1 . 2]" 1
582 1 41 TRP HB2 1 56 LEU HG . . 5.500 4.473 4.169 4.740 . 0 0 "[ . 1 . 2]" 1
583 1 41 TRP HB2 1 65 LEU MD1 . . 5.000 2.614 2.408 2.943 . 0 0 "[ . 1 . 2]" 1
584 1 41 TRP HB2 1 78 TYR QE . . 5.500 5.527 5.508 5.546 0.046 9 0 "[ . 1 . 2]" 1
585 1 41 TRP HB2 1 80 VAL HA . . 5.430 5.357 5.291 5.435 0.005 2 0 "[ . 1 . 2]" 1
586 1 41 TRP HB3 1 41 TRP HE3 . . 3.460 2.408 2.401 2.420 . 0 0 "[ . 1 . 2]" 1
587 1 41 TRP HB3 1 41 TRP HZ3 . . 4.950 4.829 4.823 4.838 . 0 0 "[ . 1 . 2]" 1
588 1 41 TRP HB3 1 48 ILE HB . . 4.620 2.687 2.552 2.827 . 0 0 "[ . 1 . 2]" 1
589 1 41 TRP HB3 1 48 ILE MD . . 3.940 2.479 2.339 2.648 . 0 0 "[ . 1 . 2]" 1
590 1 41 TRP HB3 1 48 ILE MG . . 5.130 3.356 3.113 3.695 . 0 0 "[ . 1 . 2]" 1
591 1 41 TRP HB3 1 56 LEU QD . . 5.180 3.752 3.375 4.016 . 0 0 "[ . 1 . 2]" 1
592 1 41 TRP HB3 1 65 LEU MD1 . . 5.100 2.599 2.360 2.893 . 0 0 "[ . 1 . 2]" 1
593 1 41 TRP HB3 1 78 TYR QD . . 4.760 4.284 4.219 4.363 . 0 0 "[ . 1 . 2]" 1
594 1 41 TRP HB3 1 80 VAL HA . . 5.110 4.444 4.335 4.567 . 0 0 "[ . 1 . 2]" 1
595 1 41 TRP HE3 1 48 ILE MG . . 5.120 4.530 4.229 4.851 . 0 0 "[ . 1 . 2]" 1
596 1 41 TRP HE3 1 65 LEU HB2 . . 4.990 3.228 3.081 3.362 . 0 0 "[ . 1 . 2]" 1
597 1 41 TRP HE3 1 65 LEU HB3 . . 4.630 3.338 3.204 3.472 . 0 0 "[ . 1 . 2]" 1
598 1 41 TRP HE3 1 65 LEU MD1 . . 3.640 3.072 2.882 3.399 . 0 0 "[ . 1 . 2]" 1
599 1 41 TRP HE3 1 65 LEU MD2 . . 3.570 2.074 1.943 2.267 . 0 0 "[ . 1 . 2]" 1
600 1 41 TRP HE3 1 65 LEU HG . . 4.990 4.562 4.438 4.787 . 0 0 "[ . 1 . 2]" 1
601 1 41 TRP HE3 1 80 VAL HA . . 5.080 4.912 4.651 5.092 0.012 11 0 "[ . 1 . 2]" 1
602 1 41 TRP HE3 1 80 VAL MG2 . . 4.340 3.694 3.464 3.928 . 0 0 "[ . 1 . 2]" 1
603 1 41 TRP HH2 1 63 HIS HB2 . . 4.620 4.606 4.413 4.640 0.020 3 0 "[ . 1 . 2]" 1
604 1 41 TRP HH2 1 63 HIS QB . . 4.010 4.020 3.940 4.046 0.036 2 0 "[ . 1 . 2]" 1
605 1 41 TRP HH2 1 63 HIS HB3 . . 4.620 4.435 4.268 4.614 . 0 0 "[ . 1 . 2]" 1
606 1 41 TRP HH2 1 64 THR HA . . 3.850 3.570 3.347 3.822 . 0 0 "[ . 1 . 2]" 1
607 1 41 TRP HH2 1 64 THR MG . . 4.980 4.698 4.475 4.912 . 0 0 "[ . 1 . 2]" 1
608 1 41 TRP HH2 1 65 LEU HA . . 5.500 5.278 5.039 5.412 . 0 0 "[ . 1 . 2]" 1
609 1 41 TRP HH2 1 65 LEU HB2 . . 4.580 3.721 3.548 3.872 . 0 0 "[ . 1 . 2]" 1
610 1 41 TRP HH2 1 65 LEU HB3 . . 4.710 3.466 3.369 3.580 . 0 0 "[ . 1 . 2]" 1
611 1 41 TRP HH2 1 65 LEU MD1 . . 5.330 5.161 4.957 5.327 . 0 0 "[ . 1 . 2]" 1
612 1 41 TRP HH2 1 65 LEU MD2 . . 4.620 4.379 4.276 4.517 . 0 0 "[ . 1 . 2]" 1
613 1 41 TRP HH2 1 80 VAL MG1 . . 4.660 4.603 4.486 4.673 0.013 6 0 "[ . 1 . 2]" 1
614 1 41 TRP HH2 1 80 VAL MG2 . . 3.980 3.972 3.875 4.012 0.032 19 0 "[ . 1 . 2]" 1
615 1 41 TRP HZ2 1 63 HIS HA . . 5.160 4.278 4.052 4.523 . 0 0 "[ . 1 . 2]" 1
616 1 41 TRP HZ2 1 63 HIS HB2 . . 3.520 2.633 2.430 2.884 . 0 0 "[ . 1 . 2]" 1
617 1 41 TRP HZ2 1 63 HIS QB . . 2.950 2.035 1.955 2.143 . 0 0 "[ . 1 . 2]" 1
618 1 41 TRP HZ2 1 63 HIS HB3 . . 3.520 2.124 2.000 2.281 . 0 0 "[ . 1 . 2]" 1
619 1 41 TRP HZ2 1 64 THR HA . . 4.530 3.882 3.584 4.181 . 0 0 "[ . 1 . 2]" 1
620 1 41 TRP HZ2 1 80 VAL MG2 . . 3.930 3.669 3.478 3.883 . 0 0 "[ . 1 . 2]" 1
621 1 41 TRP HZ3 1 56 LEU QD . . 5.440 5.273 4.954 5.458 0.018 15 0 "[ . 1 . 2]" 1
622 1 41 TRP HZ3 1 64 THR HA . . 5.500 5.400 5.247 5.523 0.023 4 0 "[ . 1 . 2]" 1
623 1 41 TRP HZ3 1 65 LEU HA . . 5.500 5.448 5.334 5.521 0.021 5 0 "[ . 1 . 2]" 1
624 1 41 TRP HZ3 1 65 LEU HB2 . . 4.620 3.434 3.344 3.521 . 0 0 "[ . 1 . 2]" 1
625 1 41 TRP HZ3 1 65 LEU HB3 . . 4.690 2.657 2.527 2.803 . 0 0 "[ . 1 . 2]" 1
626 1 41 TRP HZ3 1 65 LEU MD1 . . 4.660 4.403 4.284 4.594 . 0 0 "[ . 1 . 2]" 1
627 1 41 TRP HZ3 1 65 LEU MD2 . . 3.180 2.649 2.427 2.792 . 0 0 "[ . 1 . 2]" 1
628 1 41 TRP HZ3 1 65 LEU HG . . 5.270 5.018 4.877 5.144 . 0 0 "[ . 1 . 2]" 1
629 1 41 TRP HZ3 1 67 VAL QG . . 5.440 5.546 5.473 5.646 0.206 19 0 "[ . 1 . 2]" 1
630 1 41 TRP HZ3 1 78 TYR HB3 . . 5.500 5.300 5.118 5.445 . 0 0 "[ . 1 . 2]" 1
631 1 41 TRP HZ3 1 78 TYR QD . . 4.940 4.450 4.241 4.622 . 0 0 "[ . 1 . 2]" 1
632 1 41 TRP HZ3 1 78 TYR QE . . 5.490 5.082 4.800 5.395 . 0 0 "[ . 1 . 2]" 1
633 1 41 TRP HZ3 1 80 VAL HB . . 4.320 4.117 3.879 4.293 . 0 0 "[ . 1 . 2]" 1
634 1 41 TRP HZ3 1 80 VAL MG1 . . 4.300 4.081 3.892 4.305 0.005 3 0 "[ . 1 . 2]" 1
635 1 41 TRP HZ3 1 80 VAL MG2 . . 4.300 4.020 3.842 4.195 . 0 0 "[ . 1 . 2]" 1
636 1 41 TRP HZ3 1 89 PHE QD . . 5.150 5.039 4.881 5.150 0.000 9 0 "[ . 1 . 2]" 1
637 1 42 GLN H 1 42 GLN QE . . 5.010 4.868 4.029 5.031 0.021 13 0 "[ . 1 . 2]" 1
638 1 42 GLN H 1 48 ILE H . . 4.980 4.200 3.993 4.429 . 0 0 "[ . 1 . 2]" 1
639 1 42 GLN H 1 79 ALA H . . 3.900 3.644 3.455 3.807 . 0 0 "[ . 1 . 2]" 1
640 1 42 GLN H 1 80 VAL HB . . 4.470 3.884 3.769 4.021 . 0 0 "[ . 1 . 2]" 1
641 1 42 GLN H 1 81 ILE H . . 5.460 4.820 4.502 5.228 . 0 0 "[ . 1 . 2]" 1
642 1 42 GLN HA 1 42 GLN HG2 . . 4.040 2.984 2.144 3.573 . 0 0 "[ . 1 . 2]" 1
643 1 42 GLN HA 1 42 GLN QG . . 3.480 2.443 2.122 2.567 . 0 0 "[ . 1 . 2]" 1
644 1 42 GLN HA 1 42 GLN HG3 . . 4.040 2.878 2.414 3.517 . 0 0 "[ . 1 . 2]" 1
645 1 42 GLN HA 1 47 ASP HA . . 3.570 2.292 1.995 2.775 . 0 0 "[ . 1 . 2]" 1
646 1 42 GLN HA 1 47 ASP HB2 . . 5.500 4.263 3.548 5.225 . 0 0 "[ . 1 . 2]" 1
647 1 42 GLN HA 1 47 ASP QB . . 4.770 3.871 3.405 4.654 . 0 0 "[ . 1 . 2]" 1
648 1 42 GLN HA 1 47 ASP HB3 . . 5.500 4.596 3.898 5.223 . 0 0 "[ . 1 . 2]" 1
649 1 42 GLN HA 1 48 ILE HG13 . . 4.010 2.036 1.994 2.291 . 0 0 "[ . 1 . 2]" 1
650 1 42 GLN HA 1 48 ILE MG . . 5.270 4.446 4.243 4.696 . 0 0 "[ . 1 . 2]" 1
651 1 42 GLN HB2 1 43 ARG H . . 4.240 3.968 3.881 4.216 . 0 0 "[ . 1 . 2]" 1
652 1 42 GLN HB3 1 43 ARG H . . 4.240 3.771 2.796 4.074 . 0 0 "[ . 1 . 2]" 1
653 1 42 GLN QG 1 47 ASP HA . . 3.600 2.039 1.986 2.217 . 0 0 "[ . 1 . 2]" 1
654 1 42 GLN QG 1 47 ASP QB . . 4.680 3.324 2.338 3.981 . 0 0 "[ . 1 . 2]" 1
655 1 43 ARG H 1 46 SER H . . 4.400 3.772 2.918 4.404 0.004 19 0 "[ . 1 . 2]" 1
656 1 43 ARG HA 1 43 ARG HD2 . . 4.650 3.685 3.138 4.112 . 0 0 "[ . 1 . 2]" 1
657 1 43 ARG HA 1 43 ARG QD . . 3.990 3.442 3.038 3.634 . 0 0 "[ . 1 . 2]" 1
658 1 43 ARG HA 1 43 ARG HD3 . . 4.650 4.201 3.664 4.422 . 0 0 "[ . 1 . 2]" 1
659 1 43 ARG HA 1 43 ARG HG2 . . 3.790 2.056 2.025 2.124 . 0 0 "[ . 1 . 2]" 1
660 1 43 ARG HA 1 43 ARG HG3 . . 4.030 3.279 3.118 3.465 . 0 0 "[ . 1 . 2]" 1
661 1 43 ARG HA 1 48 ILE MD . . 4.560 2.796 2.586 3.049 . 0 0 "[ . 1 . 2]" 1
662 1 43 ARG HA 1 78 TYR HA . . 3.580 2.851 2.685 3.006 . 0 0 "[ . 1 . 2]" 1
663 1 43 ARG HA 1 78 TYR HB3 . . 5.320 5.081 4.944 5.207 . 0 0 "[ . 1 . 2]" 1
664 1 43 ARG HA 1 78 TYR QD . . 4.050 3.967 3.766 4.072 0.022 19 0 "[ . 1 . 2]" 1
665 1 43 ARG HA 1 78 TYR QE . . 4.780 4.360 4.190 4.497 . 0 0 "[ . 1 . 2]" 1
666 1 43 ARG QB 1 43 ARG QD . . 3.210 2.310 1.976 2.452 . 0 0 "[ . 1 . 2]" 1
667 1 43 ARG QB 1 48 ILE MD . . 3.680 2.123 1.971 2.315 . 0 0 "[ . 1 . 2]" 1
668 1 43 ARG QB 1 48 ILE HG12 . . 5.340 2.489 2.219 2.973 . 0 0 "[ . 1 . 2]" 1
669 1 43 ARG QB 1 48 ILE HG13 . . 4.580 2.603 2.443 2.761 . 0 0 "[ . 1 . 2]" 1
670 1 43 ARG QB 1 48 ILE MG . . 5.340 4.213 4.021 4.599 . 0 0 "[ . 1 . 2]" 1
671 1 43 ARG QB 1 54 TYR QE . . 4.630 4.046 3.781 4.228 . 0 0 "[ . 1 . 2]" 1
672 1 43 ARG QB 1 78 TYR HA . . 5.260 4.830 4.718 4.938 . 0 0 "[ . 1 . 2]" 1
673 1 43 ARG QB 1 78 TYR QD . . 5.130 4.816 4.672 4.924 . 0 0 "[ . 1 . 2]" 1
674 1 43 ARG QB 1 78 TYR QE . . 4.550 4.133 3.993 4.315 . 0 0 "[ . 1 . 2]" 1
675 1 43 ARG HB2 1 48 ILE MD . . 4.370 2.142 1.983 2.343 . 0 0 "[ . 1 . 2]" 1
676 1 43 ARG HB3 1 48 ILE MD . . 4.370 3.500 3.438 3.603 . 0 0 "[ . 1 . 2]" 1
677 1 43 ARG QD 1 54 TYR QE . . 4.790 4.535 4.223 4.834 0.044 16 0 "[ . 1 . 2]" 1
678 1 43 ARG QD 1 78 TYR HA . . 4.770 4.461 3.873 4.785 0.015 6 0 "[ . 1 . 2]" 1
679 1 43 ARG QD 1 78 TYR QE . . 3.590 2.576 2.104 2.888 . 0 0 "[ . 1 . 2]" 1
680 1 43 ARG HD2 1 48 ILE MD . . 4.700 4.366 4.144 4.585 . 0 0 "[ . 1 . 2]" 1
681 1 43 ARG HD2 1 78 TYR HA . . 5.500 4.855 4.195 5.395 . 0 0 "[ . 1 . 2]" 1
682 1 43 ARG HD3 1 48 ILE MD . . 4.700 4.209 4.057 4.390 . 0 0 "[ . 1 . 2]" 1
683 1 43 ARG HD3 1 78 TYR HA . . 5.500 5.279 4.214 5.522 0.022 13 0 "[ . 1 . 2]" 1
684 1 43 ARG HG2 1 48 ILE MD . . 4.730 2.571 2.309 2.924 . 0 0 "[ . 1 . 2]" 1
685 1 43 ARG HG2 1 78 TYR HA . . 4.880 3.296 3.172 3.412 . 0 0 "[ . 1 . 2]" 1
686 1 43 ARG HG2 1 78 TYR QE . . 3.280 3.079 2.933 3.167 . 0 0 "[ . 1 . 2]" 1
687 1 43 ARG HG3 1 48 ILE MD . . 4.770 2.188 2.029 2.399 . 0 0 "[ . 1 . 2]" 1
688 1 43 ARG HG3 1 54 TYR QE . . 3.320 3.358 3.328 3.402 0.082 16 0 "[ . 1 . 2]" 1
689 1 43 ARG HG3 1 78 TYR HA . . 4.920 4.940 4.870 4.997 0.077 16 0 "[ . 1 . 2]" 1
690 1 43 ARG HG3 1 78 TYR QD . . 4.360 4.209 4.151 4.287 . 0 0 "[ . 1 . 2]" 1
691 1 43 ARG HG3 1 78 TYR QE . . 3.860 3.008 2.887 3.164 . 0 0 "[ . 1 . 2]" 1
692 1 47 ASP HA 1 48 ILE H . . 3.340 2.294 2.141 2.360 . 0 0 "[ . 1 . 2]" 1
693 1 48 ILE H 1 49 SER H . . 4.910 4.506 4.474 4.573 . 0 0 "[ . 1 . 2]" 1
694 1 48 ILE HA 1 48 ILE MD . . 4.040 3.867 3.844 3.881 . 0 0 "[ . 1 . 2]" 1
695 1 48 ILE HA 1 48 ILE HG12 . . 3.870 2.611 2.570 2.652 . 0 0 "[ . 1 . 2]" 1
696 1 48 ILE HA 1 48 ILE MG . . 3.510 2.286 2.223 2.333 . 0 0 "[ . 1 . 2]" 1
697 1 48 ILE HA 1 54 TYR QE . . 5.070 4.612 4.125 4.945 . 0 0 "[ . 1 . 2]" 1
698 1 48 ILE HA 1 56 LEU QD . . 5.170 4.565 4.122 4.773 . 0 0 "[ . 1 . 2]" 1
699 1 48 ILE HB 1 48 ILE MD . . 3.050 2.337 2.272 2.404 . 0 0 "[ . 1 . 2]" 1
700 1 48 ILE HB 1 54 TYR QD . . 5.330 5.280 5.035 5.350 0.020 14 0 "[ . 1 . 2]" 1
701 1 48 ILE HB 1 56 LEU MD1 . . 5.270 4.074 3.456 5.111 . 0 0 "[ . 1 . 2]" 1
702 1 48 ILE HB 1 56 LEU QD . . 4.510 3.630 3.405 3.996 . 0 0 "[ . 1 . 2]" 1
703 1 48 ILE HB 1 56 LEU MD2 . . 5.270 4.673 3.525 5.279 0.009 2 0 "[ . 1 . 2]" 1
704 1 48 ILE MD 1 48 ILE MG . . 2.990 2.004 1.918 2.093 . 0 0 "[ . 1 . 2]" 1
705 1 48 ILE MD 1 54 TYR HB3 . . 5.500 5.300 5.036 5.500 . 6 0 "[ . 1 . 2]" 1
706 1 48 ILE MD 1 54 TYR QD . . 3.740 3.764 3.749 3.774 0.034 1 0 "[ . 1 . 2]" 1
707 1 48 ILE MD 1 54 TYR QE . . 2.730 2.610 2.399 2.739 0.009 10 0 "[ . 1 . 2]" 1
708 1 48 ILE MD 1 56 LEU QD . . 4.600 4.257 3.899 4.468 . 0 0 "[ . 1 . 2]" 1
709 1 48 ILE MD 1 67 VAL MG1 . . 4.850 4.067 3.408 4.364 . 0 0 "[ . 1 . 2]" 1
710 1 48 ILE MD 1 67 VAL QG . . 4.250 3.450 3.081 4.003 . 0 0 "[ . 1 . 2]" 1
711 1 48 ILE MD 1 67 VAL MG2 . . 4.850 3.914 3.193 4.657 . 0 0 "[ . 1 . 2]" 1
712 1 48 ILE MD 1 78 TYR QD . . 4.200 3.004 2.872 3.185 . 0 0 "[ . 1 . 2]" 1
713 1 48 ILE MD 1 78 TYR QE . . 3.330 2.028 1.933 2.240 . 0 0 "[ . 1 . 2]" 1
714 1 48 ILE MD 1 80 VAL HA . . 5.500 5.517 5.507 5.530 0.030 17 0 "[ . 1 . 2]" 1
715 1 48 ILE HG12 1 48 ILE MG . . 3.430 2.383 2.345 2.407 . 0 0 "[ . 1 . 2]" 1
716 1 48 ILE HG12 1 56 LEU QD . . 5.440 5.299 4.742 5.457 0.017 1 0 "[ . 1 . 2]" 1
717 1 48 ILE HG12 1 67 VAL QG . . 5.440 4.797 4.433 5.278 . 0 0 "[ . 1 . 2]" 1
718 1 48 ILE MG 1 49 SER HA . . 4.430 3.342 3.237 3.470 . 0 0 "[ . 1 . 2]" 1
719 1 48 ILE MG 1 50 ALA H . . 5.310 4.744 4.511 4.952 . 0 0 "[ . 1 . 2]" 1
720 1 48 ILE MG 1 50 ALA HA . . 4.970 4.779 4.589 4.947 . 0 0 "[ . 1 . 2]" 1
721 1 48 ILE MG 1 50 ALA MB . . 5.500 5.304 5.123 5.471 . 0 0 "[ . 1 . 2]" 1
722 1 48 ILE MG 1 54 TYR HB2 . . 3.990 3.686 3.360 4.014 0.024 15 0 "[ . 1 . 2]" 1
723 1 48 ILE MG 1 54 TYR HB3 . . 3.940 3.000 2.813 3.222 . 0 0 "[ . 1 . 2]" 1
724 1 48 ILE MG 1 54 TYR QD . . 3.130 2.614 2.341 2.768 . 0 0 "[ . 1 . 2]" 1
725 1 48 ILE MG 1 54 TYR QE . . 3.300 2.914 2.588 3.163 . 0 0 "[ . 1 . 2]" 1
726 1 48 ILE MG 1 56 LEU HA . . 5.500 5.295 4.803 5.517 0.017 4 0 "[ . 1 . 2]" 1
727 1 48 ILE MG 1 56 LEU QD . . 3.320 2.258 1.861 2.520 . 0 0 "[ . 1 . 2]" 1
728 1 48 ILE MG 1 65 LEU HB3 . . 5.500 5.155 4.949 5.355 . 0 0 "[ . 1 . 2]" 1
729 1 48 ILE MG 1 65 LEU MD1 . . 3.710 1.847 1.764 2.009 . 0 0 "[ . 1 . 2]" 1
730 1 48 ILE MG 1 65 LEU HG . . 5.460 3.679 3.467 3.984 . 0 0 "[ . 1 . 2]" 1
731 1 48 ILE MG 1 78 TYR QE . . 4.430 3.673 3.469 3.780 . 0 0 "[ . 1 . 2]" 1
732 1 49 SER H 1 49 SER QB . . 2.880 2.815 2.799 2.843 . 0 0 "[ . 1 . 2]" 1
733 1 49 SER H 1 65 LEU MD1 . . 5.130 4.345 4.144 4.601 . 0 0 "[ . 1 . 2]" 1
734 1 49 SER HA 1 50 ALA HA . . 5.040 4.303 4.298 4.314 . 0 0 "[ . 1 . 2]" 1
735 1 49 SER HA 1 51 SER H . . 5.500 5.246 5.178 5.412 . 0 0 "[ . 1 . 2]" 1
736 1 49 SER HA 1 56 LEU QD . . 3.450 2.317 2.004 2.855 . 0 0 "[ . 1 . 2]" 1
737 1 49 SER QB 1 50 ALA H . . 3.700 2.851 2.567 3.204 . 0 0 "[ . 1 . 2]" 1
738 1 50 ALA H 1 50 ALA MB . . 3.040 2.076 2.025 2.235 . 0 0 "[ . 1 . 2]" 1
739 1 50 ALA H 1 51 SER H . . 4.330 4.211 4.174 4.314 . 0 0 "[ . 1 . 2]" 1
740 1 50 ALA HA 1 54 TYR HB2 . . 5.020 4.571 4.385 4.829 . 0 0 "[ . 1 . 2]" 1
741 1 50 ALA HA 1 54 TYR HB3 . . 4.510 3.985 3.700 4.278 . 0 0 "[ . 1 . 2]" 1
742 1 50 ALA HA 1 56 LEU QD . . 3.500 2.703 2.078 3.134 . 0 0 "[ . 1 . 2]" 1
743 1 50 ALA HA 1 56 LEU HG . . 4.670 4.327 2.947 4.678 0.008 4 0 "[ . 1 . 2]" 1
744 1 50 ALA MB 1 51 SER H . . 3.720 3.548 3.475 3.576 . 0 0 "[ . 1 . 2]" 1
745 1 50 ALA MB 1 56 LEU H . . 4.350 2.537 2.136 3.605 . 0 0 "[ . 1 . 2]" 1
746 1 50 ALA MB 1 56 LEU QD . . 3.220 2.923 2.643 3.227 0.007 6 0 "[ . 1 . 2]" 1
747 1 51 SER H 1 54 TYR H . . 4.540 4.029 3.946 4.201 . 0 0 "[ . 1 . 2]" 1
748 1 51 SER H 1 54 TYR HA . . 5.500 5.067 4.909 5.231 . 0 0 "[ . 1 . 2]" 1
749 1 51 SER H 1 54 TYR QD . . 5.190 4.892 4.731 5.104 . 0 0 "[ . 1 . 2]" 1
750 1 53 LYS H 1 54 TYR H . . 4.130 2.611 2.574 2.646 . 0 0 "[ . 1 . 2]" 1
751 1 53 LYS HA 1 53 LYS HD2 . . 4.910 4.429 4.068 4.616 . 0 0 "[ . 1 . 2]" 1
752 1 53 LYS HA 1 53 LYS QD . . 4.090 3.782 3.718 3.942 . 0 0 "[ . 1 . 2]" 1
753 1 53 LYS HA 1 53 LYS HD3 . . 4.910 4.142 3.988 4.669 . 0 0 "[ . 1 . 2]" 1
754 1 53 LYS HA 1 53 LYS HE2 . . 5.500 4.982 4.552 5.496 . 0 0 "[ . 1 . 2]" 1
755 1 53 LYS HA 1 53 LYS QE . . 4.740 4.490 4.345 4.693 . 0 0 "[ . 1 . 2]" 1
756 1 53 LYS HA 1 53 LYS HE3 . . 5.500 5.170 4.875 5.505 0.005 16 0 "[ . 1 . 2]" 1
757 1 53 LYS HB2 1 53 LYS HE2 . . 5.110 2.990 2.352 4.204 . 0 0 "[ . 1 . 2]" 1
758 1 53 LYS HB2 1 53 LYS QE . . 4.290 2.872 2.324 3.848 . 0 0 "[ . 1 . 2]" 1
759 1 53 LYS HB2 1 53 LYS HE3 . . 5.110 3.874 3.472 4.462 . 0 0 "[ . 1 . 2]" 1
760 1 53 LYS HB3 1 53 LYS HE2 . . 5.400 2.682 2.241 3.723 . 0 0 "[ . 1 . 2]" 1
761 1 53 LYS HB3 1 53 LYS QE . . 4.690 2.539 2.203 3.509 . 0 0 "[ . 1 . 2]" 1
762 1 53 LYS HB3 1 53 LYS HE3 . . 5.400 3.217 2.715 4.290 . 0 0 "[ . 1 . 2]" 1
763 1 53 LYS HB3 1 54 TYR HB2 . . 4.930 4.015 3.855 4.139 . 0 0 "[ . 1 . 2]" 1
764 1 53 LYS HB3 1 54 TYR QD . . 3.810 2.665 2.459 2.837 . 0 0 "[ . 1 . 2]" 1
765 1 53 LYS QD 1 54 TYR QD . . 5.340 4.714 2.629 5.075 . 0 0 "[ . 1 . 2]" 1
766 1 53 LYS QD 1 54 TYR QE . . 4.850 4.588 2.307 4.865 0.015 6 0 "[ . 1 . 2]" 1
767 1 53 LYS QE 1 53 LYS HG3 . . 3.530 3.125 2.415 3.307 . 0 0 "[ . 1 . 2]" 1
768 1 53 LYS QE 1 54 TYR QD . . 5.340 3.682 3.324 4.393 . 0 0 "[ . 1 . 2]" 1
769 1 53 LYS QE 1 54 TYR QE . . 3.770 3.115 2.574 3.605 . 0 0 "[ . 1 . 2]" 1
770 1 53 LYS HE2 1 53 LYS HG2 . . 4.130 3.032 2.587 3.526 . 0 0 "[ . 1 . 2]" 1
771 1 53 LYS HE2 1 54 TYR QE . . 4.620 4.019 3.350 4.636 0.016 16 0 "[ . 1 . 2]" 1
772 1 53 LYS HE3 1 53 LYS HG2 . . 4.130 2.530 2.094 4.118 . 0 0 "[ . 1 . 2]" 1
773 1 53 LYS HE3 1 54 TYR QE . . 4.620 3.380 2.622 4.590 . 0 0 "[ . 1 . 2]" 1
774 1 53 LYS HG2 1 54 TYR QD . . 4.260 3.748 3.521 4.305 0.045 16 0 "[ . 1 . 2]" 1
775 1 53 LYS HG2 1 54 TYR QE . . 4.590 3.759 3.637 4.593 0.003 16 0 "[ . 1 . 2]" 1
776 1 53 LYS HG3 1 54 TYR QE . . 5.320 5.335 5.281 5.359 0.039 17 0 "[ . 1 . 2]" 1
777 1 54 TYR H 1 54 TYR HB2 . . 3.360 2.793 2.769 2.803 . 0 0 "[ . 1 . 2]" 1
778 1 54 TYR H 1 54 TYR QD . . 4.310 3.821 3.683 3.950 . 0 0 "[ . 1 . 2]" 1
779 1 54 TYR HA 1 54 TYR QD . . 3.910 2.769 2.626 2.950 . 0 0 "[ . 1 . 2]" 1
780 1 54 TYR HA 1 54 TYR QE . . 4.720 4.442 4.385 4.493 . 0 0 "[ . 1 . 2]" 1
781 1 54 TYR HB2 1 56 LEU QD . . 5.190 4.626 3.588 5.040 . 0 0 "[ . 1 . 2]" 1
782 1 54 TYR HB3 1 56 LEU QD . . 4.320 3.556 2.455 4.051 . 0 0 "[ . 1 . 2]" 1
783 1 54 TYR QD 1 65 LEU MD1 . . 3.070 2.921 2.532 3.078 0.008 20 0 "[ . 1 . 2]" 1
784 1 54 TYR QD 1 65 LEU HG . . 4.110 3.593 3.372 3.948 . 0 0 "[ . 1 . 2]" 1
785 1 54 TYR QD 1 67 VAL HB . . 5.260 3.708 2.286 4.691 . 0 0 "[ . 1 . 2]" 1
786 1 54 TYR QD 1 67 VAL QG . . 3.380 2.328 1.852 3.200 . 0 0 "[ . 1 . 2]" 1
787 1 54 TYR QD 1 69 GLU HB2 . . 5.500 5.359 4.921 5.511 0.011 20 0 "[ . 1 . 2]" 1
788 1 54 TYR QD 1 69 GLU HB3 . . 5.500 5.084 4.612 5.459 . 0 0 "[ . 1 . 2]" 1
789 1 54 TYR QD 1 78 TYR QE . . 4.870 4.908 4.835 4.949 0.079 15 0 "[ . 1 . 2]" 1
790 1 54 TYR QE 1 65 LEU MD1 . . 4.010 3.915 3.524 4.013 0.003 12 0 "[ . 1 . 2]" 1
791 1 54 TYR QE 1 65 LEU HG . . 5.500 4.496 4.032 5.016 . 0 0 "[ . 1 . 2]" 1
792 1 54 TYR QE 1 67 VAL HB . . 3.710 3.561 2.883 3.971 0.261 8 0 "[ . 1 . 2]" 1
793 1 54 TYR QE 1 67 VAL MG1 . . 3.360 2.555 1.993 3.406 0.046 19 0 "[ . 1 . 2]" 1
794 1 54 TYR QE 1 67 VAL QG . . 2.580 2.108 1.740 2.600 0.020 11 0 "[ . 1 . 2]" 1
795 1 54 TYR QE 1 67 VAL MG2 . . 3.360 2.428 1.893 3.584 0.224 15 0 "[ . 1 . 2]" 1
796 1 55 GLY H 1 56 LEU H . . 4.580 4.077 3.874 4.347 . 0 0 "[ . 1 . 2]" 1
797 1 55 GLY H 1 66 THR H . . 4.370 3.876 3.604 4.166 . 0 0 "[ . 1 . 2]" 1
798 1 55 GLY H 1 67 VAL QG . . 4.870 3.675 2.189 4.461 . 0 0 "[ . 1 . 2]" 1
799 1 55 GLY QA 1 56 LEU QD . . 4.370 3.914 3.208 4.381 0.011 5 0 "[ . 1 . 2]" 1
800 1 55 GLY QA 1 66 THR HB . . 3.730 2.856 2.782 2.943 . 0 0 "[ . 1 . 2]" 1
801 1 55 GLY QA 1 66 THR MG . . 4.330 3.846 3.743 3.969 . 0 0 "[ . 1 . 2]" 1
802 1 55 GLY HA2 1 66 THR HB . . 4.530 4.545 4.501 4.604 0.074 13 0 "[ . 1 . 2]" 1
803 1 55 GLY HA3 1 66 THR HB . . 4.530 2.887 2.808 2.981 . 0 0 "[ . 1 . 2]" 1
804 1 56 LEU HA 1 56 LEU QD . . 3.290 2.459 1.862 2.922 . 0 0 "[ . 1 . 2]" 1
805 1 56 LEU HA 1 56 LEU HG . . 3.950 2.795 2.164 3.701 . 0 0 "[ . 1 . 2]" 1
806 1 56 LEU HA 1 65 LEU HA . . 3.800 2.628 2.330 2.863 . 0 0 "[ . 1 . 2]" 1
807 1 56 LEU HA 1 65 LEU MD1 . . 4.480 3.348 2.678 3.630 . 0 0 "[ . 1 . 2]" 1
808 1 56 LEU HB2 1 57 ALA HA . . 5.500 5.299 5.154 5.424 . 0 0 "[ . 1 . 2]" 1
809 1 56 LEU HB3 1 57 ALA HA . . 5.500 4.294 4.160 4.612 . 0 0 "[ . 1 . 2]" 1
810 1 56 LEU QD 1 57 ALA HA . . 5.440 4.684 4.415 4.958 . 0 0 "[ . 1 . 2]" 1
811 1 56 LEU QD 1 65 LEU HA . . 3.530 3.060 2.142 3.524 . 0 0 "[ . 1 . 2]" 1
812 1 56 LEU QD 1 65 LEU HB2 . . 4.480 2.880 2.468 3.183 . 0 0 "[ . 1 . 2]" 1
813 1 56 LEU QD 1 65 LEU HB3 . . 4.670 4.231 3.745 4.514 . 0 0 "[ . 1 . 2]" 1
814 1 56 LEU QD 1 65 LEU MD1 . . 3.060 1.975 1.620 2.326 . 0 0 "[ . 1 . 2]" 1
815 1 56 LEU QD 1 65 LEU MD2 . . 4.830 3.832 3.501 4.148 . 0 0 "[ . 1 . 2]" 1
816 1 56 LEU HG 1 65 LEU MD1 . . 4.040 2.646 1.879 3.881 . 0 0 "[ . 1 . 2]" 1
817 1 57 ALA H 1 58 THR HB . . 5.260 5.173 4.883 5.270 0.010 2 0 "[ . 1 . 2]" 1
818 1 57 ALA H 1 64 THR H . . 3.990 3.273 2.791 3.774 . 0 0 "[ . 1 . 2]" 1
819 1 57 ALA HA 1 58 THR H . . 3.020 2.180 2.142 2.288 . 0 0 "[ . 1 . 2]" 1
820 1 57 ALA HA 1 58 THR HB . . 4.990 4.798 4.534 4.878 . 0 0 "[ . 1 . 2]" 1
821 1 57 ALA HA 1 58 THR MG . . 5.120 3.682 3.291 3.777 . 0 0 "[ . 1 . 2]" 1
822 1 57 ALA HA 1 64 THR HB . . 5.500 5.384 5.052 5.510 0.010 12 0 "[ . 1 . 2]" 1
823 1 57 ALA MB 1 64 THR HA . . 5.500 4.746 4.192 5.207 . 0 0 "[ . 1 . 2]" 1
824 1 58 THR HA 1 58 THR MG . . 3.250 3.195 3.185 3.206 . 0 0 "[ . 1 . 2]" 1
825 1 58 THR HA 1 59 GLU HA . . 5.170 4.431 4.394 4.469 . 0 0 "[ . 1 . 2]" 1
826 1 58 THR HA 1 63 HIS HA . . 3.190 2.300 2.010 2.431 . 0 0 "[ . 1 . 2]" 1
827 1 58 THR HA 1 63 HIS QB . . 4.490 4.026 3.488 4.291 . 0 0 "[ . 1 . 2]" 1
828 1 58 THR HB 1 63 HIS HA . . 4.950 3.738 3.391 4.104 . 0 0 "[ . 1 . 2]" 1
829 1 58 THR HB 1 64 THR H . . 4.790 4.656 4.012 4.794 0.004 7 0 "[ . 1 . 2]" 1
830 1 58 THR MG 1 59 GLU HA . . 4.210 3.999 3.837 4.176 . 0 0 "[ . 1 . 2]" 1
831 1 59 GLU H 1 59 GLU QB . . 3.620 2.761 2.530 3.353 . 0 0 "[ . 1 . 2]" 1
832 1 59 GLU H 1 62 ARG H . . 4.420 3.383 3.076 4.098 . 0 0 "[ . 1 . 2]" 1
833 1 59 GLU HA 1 59 GLU QG . . 3.640 2.452 2.090 3.380 . 0 0 "[ . 1 . 2]" 1
834 1 59 GLU QB 1 59 GLU QG . . 2.360 2.050 2.013 2.086 . 0 0 "[ . 1 . 2]" 1
835 1 60 GLY HA3 1 61 THR H . . 3.360 2.173 2.136 2.181 . 0 0 "[ . 1 . 2]" 1
836 1 60 GLY HA3 1 62 ARG H . . 3.950 3.671 3.503 3.779 . 0 0 "[ . 1 . 2]" 1
837 1 61 THR H 1 62 ARG H . . 3.400 2.322 2.045 2.595 . 0 0 "[ . 1 . 2]" 1
838 1 61 THR HA 1 61 THR MG . . 2.880 2.012 1.955 2.141 . 0 0 "[ . 1 . 2]" 1
839 1 62 ARG H 1 62 ARG QB . . 3.580 2.689 2.314 3.085 . 0 0 "[ . 1 . 2]" 1
840 1 62 ARG H 1 63 HIS H . . 4.830 4.332 4.155 4.466 . 0 0 "[ . 1 . 2]" 1
841 1 62 ARG HA 1 62 ARG HD2 . . 5.220 4.394 3.777 5.023 . 0 0 "[ . 1 . 2]" 1
842 1 62 ARG HA 1 62 ARG QD . . 4.470 3.964 3.574 4.281 . 0 0 "[ . 1 . 2]" 1
843 1 62 ARG HA 1 62 ARG HD3 . . 5.220 4.585 3.766 4.934 . 0 0 "[ . 1 . 2]" 1
844 1 62 ARG HA 1 62 ARG HG2 . . 4.000 3.054 2.532 3.944 . 0 0 "[ . 1 . 2]" 1
845 1 62 ARG HA 1 62 ARG QG . . 3.480 2.608 2.127 3.338 . 0 0 "[ . 1 . 2]" 1
846 1 62 ARG HA 1 62 ARG HG3 . . 4.000 3.074 2.183 3.648 . 0 0 "[ . 1 . 2]" 1
847 1 62 ARG QB 1 62 ARG QD . . 3.080 2.083 1.947 2.424 . 0 0 "[ . 1 . 2]" 1
848 1 62 ARG HB2 1 62 ARG HD2 . . 4.060 2.789 2.124 3.717 . 0 0 "[ . 1 . 2]" 1
849 1 62 ARG HB2 1 62 ARG HD3 . . 4.060 2.961 1.999 4.043 . 0 0 "[ . 1 . 2]" 1
850 1 62 ARG HB3 1 62 ARG HD2 . . 4.060 3.105 2.054 3.956 . 0 0 "[ . 1 . 2]" 1
851 1 62 ARG HB3 1 62 ARG HD3 . . 4.060 3.131 2.428 3.578 . 0 0 "[ . 1 . 2]" 1
852 1 63 HIS HB2 1 80 VAL MG2 . . 5.500 4.758 4.523 4.987 . 0 0 "[ . 1 . 2]" 1
853 1 63 HIS HB3 1 80 VAL MG2 . . 5.500 4.899 4.728 5.160 . 0 0 "[ . 1 . 2]" 1
854 1 64 THR HA 1 64 THR MG . . 3.060 2.078 2.009 2.149 . 0 0 "[ . 1 . 2]" 1
855 1 64 THR MG 1 65 LEU HA . . 5.350 4.724 4.640 4.826 . 0 0 "[ . 1 . 2]" 1
856 1 64 THR MG 1 65 LEU HB2 . . 5.500 5.454 5.374 5.523 0.023 13 0 "[ . 1 . 2]" 1
857 1 65 LEU H 1 65 LEU HG . . 4.600 4.392 4.359 4.403 . 0 0 "[ . 1 . 2]" 1
858 1 65 LEU HA 1 65 LEU MD1 . . 3.510 2.652 2.521 2.797 . 0 0 "[ . 1 . 2]" 1
859 1 65 LEU HA 1 65 LEU MD2 . . 4.270 3.950 3.938 3.970 . 0 0 "[ . 1 . 2]" 1
860 1 65 LEU HA 1 67 VAL QG . . 5.440 4.658 4.186 5.168 . 0 0 "[ . 1 . 2]" 1
861 1 65 LEU HB2 1 67 VAL QG . . 5.440 4.839 4.440 5.335 . 0 0 "[ . 1 . 2]" 1
862 1 65 LEU HB2 1 78 TYR QE . . 5.500 5.458 5.316 5.527 0.027 20 0 "[ . 1 . 2]" 1
863 1 65 LEU HB3 1 78 TYR QD . . 5.500 5.494 5.412 5.541 0.041 18 0 "[ . 1 . 2]" 1
864 1 65 LEU MD1 1 78 TYR QD . . 4.880 4.825 4.654 4.893 0.013 2 0 "[ . 1 . 2]" 1
865 1 65 LEU MD1 1 78 TYR QE . . 3.720 3.677 3.579 3.728 0.008 17 0 "[ . 1 . 2]" 1
866 1 65 LEU MD2 1 78 TYR QD . . 4.530 3.077 2.938 3.197 . 0 0 "[ . 1 . 2]" 1
867 1 65 LEU MD2 1 78 TYR QE . . 3.540 1.943 1.893 2.023 . 0 0 "[ . 1 . 2]" 1
868 1 66 THR H 1 67 VAL QG . . 4.740 4.174 3.805 4.722 . 0 0 "[ . 1 . 2]" 1
869 1 66 THR HA 1 66 THR MG . . 3.280 2.294 2.217 2.353 . 0 0 "[ . 1 . 2]" 1
870 1 66 THR MG 1 68 ARG QB . . 5.340 4.453 4.109 4.830 . 0 0 "[ . 1 . 2]" 1
871 1 66 THR MG 1 68 ARG HD2 . . 5.500 3.771 2.027 5.180 . 0 0 "[ . 1 . 2]" 1
872 1 66 THR MG 1 68 ARG HD3 . . 5.500 4.144 2.744 5.131 . 0 0 "[ . 1 . 2]" 1
873 1 66 THR MG 1 68 ARG HG2 . . 4.280 3.525 2.917 4.231 . 0 0 "[ . 1 . 2]" 1
874 1 66 THR MG 1 68 ARG QG . . 3.720 2.749 2.463 3.047 . 0 0 "[ . 1 . 2]" 1
875 1 66 THR MG 1 68 ARG HG3 . . 4.280 2.921 2.602 3.588 . 0 0 "[ . 1 . 2]" 1
876 1 67 VAL H 1 67 VAL QG . . 3.490 2.379 1.993 2.698 . 0 0 "[ . 1 . 2]" 1
877 1 67 VAL HA 1 67 VAL MG1 . . 3.630 2.568 2.178 3.180 . 0 0 "[ . 1 . 2]" 1
878 1 67 VAL HA 1 67 VAL MG2 . . 3.630 2.577 2.436 3.200 . 0 0 "[ . 1 . 2]" 1
879 1 67 VAL QG 1 70 VAL H . . 3.470 2.272 2.039 2.884 . 0 0 "[ . 1 . 2]" 1
880 1 67 VAL QG 1 78 TYR QD . . 4.820 4.675 4.478 4.859 0.039 18 0 "[ . 1 . 2]" 1
881 1 67 VAL QG 1 78 TYR QE . . 3.490 3.139 2.861 3.433 . 0 0 "[ . 1 . 2]" 1
882 1 68 ARG HA 1 68 ARG HD2 . . 5.500 4.410 3.897 4.939 . 0 0 "[ . 1 . 2]" 1
883 1 68 ARG HA 1 68 ARG QD . . 4.780 3.886 3.612 4.256 . 0 0 "[ . 1 . 2]" 1
884 1 68 ARG HA 1 68 ARG HD3 . . 5.500 4.388 3.807 4.788 . 0 0 "[ . 1 . 2]" 1
885 1 68 ARG HA 1 68 ARG QG . . 3.600 2.472 2.329 2.542 . 0 0 "[ . 1 . 2]" 1
886 1 68 ARG HA 1 69 GLU HA . . 5.500 4.774 4.731 4.824 . 0 0 "[ . 1 . 2]" 1
887 1 68 ARG HA 1 70 VAL H . . 3.750 3.438 3.385 3.474 . 0 0 "[ . 1 . 2]" 1
888 1 68 ARG HA 1 70 VAL MG1 . . 4.070 2.656 2.548 2.771 . 0 0 "[ . 1 . 2]" 1
889 1 68 ARG QB 1 68 ARG QD . . 3.270 2.082 1.951 2.290 . 0 0 "[ . 1 . 2]" 1
890 1 68 ARG HB2 1 70 VAL MG1 . . 5.500 4.929 4.823 5.026 . 0 0 "[ . 1 . 2]" 1
891 1 68 ARG HB3 1 70 VAL MG1 . . 5.500 4.504 4.357 4.647 . 0 0 "[ . 1 . 2]" 1
892 1 68 ARG QG 1 69 GLU H . . 4.430 4.165 3.930 4.407 . 0 0 "[ . 1 . 2]" 1
893 1 69 GLU H 1 70 VAL H . . 4.110 2.587 2.548 2.643 . 0 0 "[ . 1 . 2]" 1
894 1 69 GLU HA 1 69 GLU HG2 . . 4.110 3.030 2.091 3.783 . 0 0 "[ . 1 . 2]" 1
895 1 69 GLU HA 1 69 GLU QG . . 3.500 2.468 2.069 3.040 . 0 0 "[ . 1 . 2]" 1
896 1 69 GLU HA 1 69 GLU HG3 . . 4.110 2.978 2.146 3.560 . 0 0 "[ . 1 . 2]" 1
897 1 69 GLU HA 1 70 VAL HA . . 5.500 4.916 4.901 4.936 . 0 0 "[ . 1 . 2]" 1
898 1 69 GLU HA 1 70 VAL MG1 . . 4.990 4.376 4.322 4.429 . 0 0 "[ . 1 . 2]" 1
899 1 70 VAL HA 1 70 VAL MG1 . . 3.380 3.194 3.192 3.197 . 0 0 "[ . 1 . 2]" 1
900 1 70 VAL HA 1 70 VAL MG2 . . 3.160 2.370 2.352 2.408 . 0 0 "[ . 1 . 2]" 1
901 1 70 VAL HA 1 74 ASP QB . . 5.190 2.853 2.526 3.140 . 0 0 "[ . 1 . 2]" 1
902 1 70 VAL HB 1 71 GLY HA2 . . 5.500 5.637 5.592 5.691 0.191 17 0 "[ . 1 . 2]" 1
903 1 70 VAL HB 1 74 ASP QB . . 5.050 4.051 3.795 4.297 . 0 0 "[ . 1 . 2]" 1
904 1 70 VAL MG1 1 71 GLY HA2 . . 3.830 3.997 3.972 4.027 0.197 7 0 "[ . 1 . 2]" 1
905 1 70 VAL MG1 1 74 ASP QB . . 5.000 4.663 4.359 4.921 . 0 0 "[ . 1 . 2]" 1
906 1 70 VAL MG2 1 71 GLY HA2 . . 3.810 3.321 3.151 3.487 . 0 0 "[ . 1 . 2]" 1
907 1 70 VAL MG2 1 71 GLY HA3 . . 4.770 4.090 4.014 4.172 . 0 0 "[ . 1 . 2]" 1
908 1 70 VAL MG2 1 74 ASP HA . . 5.500 5.089 4.496 5.524 0.024 20 0 "[ . 1 . 2]" 1
909 1 70 VAL MG2 1 74 ASP HB2 . . 4.150 2.624 1.968 3.211 . 0 0 "[ . 1 . 2]" 1
910 1 70 VAL MG2 1 74 ASP QB . . 3.580 2.443 1.917 2.910 . 0 0 "[ . 1 . 2]" 1
911 1 70 VAL MG2 1 74 ASP HB3 . . 4.150 3.214 2.092 3.985 . 0 0 "[ . 1 . 2]" 1
912 1 70 VAL MG2 1 75 GLN HA . . 5.200 4.926 4.330 5.252 0.052 17 0 "[ . 1 . 2]" 1
913 1 70 VAL MG2 1 91 LEU HG . . 4.340 3.241 2.906 3.804 . 0 0 "[ . 1 . 2]" 1
914 1 70 VAL MG2 1 93 VAL HA . . 4.510 4.260 4.117 4.461 . 0 0 "[ . 1 . 2]" 1
915 1 70 VAL MG2 1 93 VAL QG . . 3.610 2.926 2.645 3.621 0.011 14 0 "[ . 1 . 2]" 1
916 1 71 GLY H 1 74 ASP H . . 4.320 3.055 2.940 3.156 . 0 0 "[ . 1 . 2]" 1
917 1 71 GLY HA2 1 72 PRO QB . . 5.230 4.837 4.801 4.880 . 0 0 "[ . 1 . 2]" 1
918 1 71 GLY HA2 1 72 PRO HD2 . . 3.740 3.091 3.026 3.165 . 0 0 "[ . 1 . 2]" 1
919 1 71 GLY HA2 1 72 PRO HD3 . . 3.740 2.800 2.735 2.876 . 0 0 "[ . 1 . 2]" 1
920 1 71 GLY HA2 1 72 PRO HG2 . . 5.500 5.101 5.043 5.166 . 0 0 "[ . 1 . 2]" 1
921 1 71 GLY HA2 1 72 PRO QG . . 4.680 4.511 4.457 4.573 . 0 0 "[ . 1 . 2]" 1
922 1 71 GLY HA2 1 72 PRO HG3 . . 5.500 5.028 4.964 5.102 . 0 0 "[ . 1 . 2]" 1
923 1 71 GLY HA3 1 72 PRO HD2 . . 3.800 2.029 1.987 2.070 . 0 0 "[ . 1 . 2]" 1
924 1 71 GLY HA3 1 72 PRO HD3 . . 3.800 2.832 2.756 2.899 . 0 0 "[ . 1 . 2]" 1
925 1 71 GLY HA3 1 72 PRO HG2 . . 5.190 4.177 4.151 4.204 . 0 0 "[ . 1 . 2]" 1
926 1 71 GLY HA3 1 72 PRO QG . . 4.440 3.878 3.845 3.910 . 0 0 "[ . 1 . 2]" 1
927 1 71 GLY HA3 1 72 PRO HG3 . . 5.190 4.600 4.543 4.651 . 0 0 "[ . 1 . 2]" 1
928 1 72 PRO HA 1 93 VAL HA . . 5.500 5.535 5.505 5.560 0.060 17 0 "[ . 1 . 2]" 1
929 1 72 PRO HA 1 93 VAL HB . . 4.150 3.297 3.114 3.533 . 0 0 "[ . 1 . 2]" 1
930 1 72 PRO HA 1 93 VAL QG . . 3.770 2.234 1.998 2.366 . 0 0 "[ . 1 . 2]" 1
931 1 72 PRO QB 1 73 ALA HA . . 5.100 4.127 4.115 4.136 . 0 0 "[ . 1 . 2]" 1
932 1 72 PRO QB 1 93 VAL QG . . 4.180 3.153 2.730 3.478 . 0 0 "[ . 1 . 2]" 1
933 1 72 PRO QD 1 93 VAL QG . . 4.150 3.277 2.755 3.799 . 0 0 "[ . 1 . 2]" 1
934 1 72 PRO QG 1 73 ALA H . . 3.470 2.769 2.704 2.819 . 0 0 "[ . 1 . 2]" 1
935 1 72 PRO QG 1 73 ALA HA . . 5.350 4.325 4.318 4.339 . 0 0 "[ . 1 . 2]" 1
936 1 72 PRO QG 1 73 ALA MB . . 5.020 3.330 3.240 3.435 . 0 0 "[ . 1 . 2]" 1
937 1 72 PRO QG 1 93 VAL QG . . 4.690 4.122 3.752 4.464 . 0 0 "[ . 1 . 2]" 1
938 1 72 PRO HG2 1 73 ALA H . . 4.350 2.809 2.739 2.861 . 0 0 "[ . 1 . 2]" 1
939 1 72 PRO HG3 1 73 ALA H . . 4.350 4.209 4.156 4.249 . 0 0 "[ . 1 . 2]" 1
940 1 73 ALA H 1 74 ASP H . . 4.310 2.292 2.272 2.304 . 0 0 "[ . 1 . 2]" 1
941 1 73 ALA HA 1 74 ASP HA . . 5.260 4.620 4.561 4.758 . 0 0 "[ . 1 . 2]" 1
942 1 73 ALA MB 1 74 ASP HA . . 4.480 3.974 3.884 4.071 . 0 0 "[ . 1 . 2]" 1
943 1 74 ASP H 1 75 GLN H . . 3.300 2.318 1.999 2.525 . 0 0 "[ . 1 . 2]" 1
944 1 75 GLN H 1 91 LEU QD . . 5.440 4.133 3.557 5.010 . 0 0 "[ . 1 . 2]" 1
945 1 75 GLN HA 1 75 GLN HG2 . . 3.910 2.698 2.168 4.032 0.122 19 0 "[ . 1 . 2]" 1
946 1 75 GLN HA 1 75 GLN QG . . 3.410 2.480 2.145 3.340 . 0 0 "[ . 1 . 2]" 1
947 1 75 GLN HA 1 75 GLN HG3 . . 3.910 3.241 2.334 3.866 . 0 0 "[ . 1 . 2]" 1
948 1 75 GLN HA 1 91 LEU QD . . 3.710 2.728 2.125 3.722 0.012 6 0 "[ . 1 . 2]" 1
949 1 75 GLN HA 1 91 LEU HG . . 5.450 4.549 3.073 5.461 0.011 10 0 "[ . 1 . 2]" 1
950 1 75 GLN HA 1 93 VAL HA . . 5.500 5.503 5.280 5.599 0.099 20 0 "[ . 1 . 2]" 1
951 1 75 GLN HA 1 93 VAL QG . . 3.920 2.517 2.113 3.922 0.002 4 0 "[ . 1 . 2]" 1
952 1 75 GLN QB 1 75 GLN QG . . 2.350 2.040 2.017 2.080 . 0 0 "[ . 1 . 2]" 1
953 1 76 GLY H 1 91 LEU H . . 4.380 4.075 3.648 4.308 . 0 0 "[ . 1 . 2]" 1
954 1 77 SER HA 1 90 ASP HA . . 3.260 2.640 2.505 2.832 . 0 0 "[ . 1 . 2]" 1
955 1 77 SER HA 1 90 ASP QB . . 4.410 3.987 3.709 4.250 . 0 0 "[ . 1 . 2]" 1
956 1 77 SER QB 1 90 ASP HA . . 4.830 3.868 3.411 4.306 . 0 0 "[ . 1 . 2]" 1
957 1 77 SER QB 1 90 ASP QB . . 4.510 4.511 4.457 4.542 0.032 10 0 "[ . 1 . 2]" 1
958 1 78 TYR H 1 89 PHE H . . 4.400 3.612 3.346 3.900 . 0 0 "[ . 1 . 2]" 1
959 1 78 TYR HA 1 78 TYR QD . . 3.650 2.998 2.965 3.011 . 0 0 "[ . 1 . 2]" 1
960 1 78 TYR HA 1 78 TYR QE . . 4.560 4.449 4.437 4.458 . 0 0 "[ . 1 . 2]" 1
961 1 78 TYR HB2 1 89 PHE QD . . 3.940 2.951 2.841 3.052 . 0 0 "[ . 1 . 2]" 1
962 1 78 TYR HB3 1 89 PHE QD . . 4.520 3.376 3.315 3.464 . 0 0 "[ . 1 . 2]" 1
963 1 78 TYR QD 1 80 VAL MG1 . . 5.400 4.882 4.759 5.081 . 0 0 "[ . 1 . 2]" 1
964 1 78 TYR QD 1 89 PHE QD . . 4.100 4.084 3.989 4.134 0.034 15 0 "[ . 1 . 2]" 1
965 1 78 TYR QD 1 91 LEU H . . 4.250 3.706 3.427 4.110 . 0 0 "[ . 1 . 2]" 1
966 1 78 TYR QD 1 91 LEU HA . . 4.820 4.451 4.211 4.741 . 0 0 "[ . 1 . 2]" 1
967 1 78 TYR QD 1 91 LEU HB2 . . 3.560 2.215 1.985 2.735 . 0 0 "[ . 1 . 2]" 1
968 1 78 TYR QD 1 91 LEU HB3 . . 4.400 2.577 2.119 2.889 . 0 0 "[ . 1 . 2]" 1
969 1 78 TYR QD 1 91 LEU QD . . 4.370 3.231 2.589 3.829 . 0 0 "[ . 1 . 2]" 1
970 1 78 TYR QE 1 89 PHE QD . . 5.500 5.528 5.485 5.574 0.074 12 0 "[ . 1 . 2]" 1
971 1 78 TYR QE 1 91 LEU HB2 . . 3.370 3.201 2.911 3.393 0.023 6 0 "[ . 1 . 2]" 1
972 1 78 TYR QE 1 91 LEU HB3 . . 3.810 3.313 2.944 3.496 . 0 0 "[ . 1 . 2]" 1
973 1 78 TYR QE 1 91 LEU QD . . 3.820 2.598 1.853 3.596 . 0 0 "[ . 1 . 2]" 1
974 1 78 TYR QE 1 91 LEU HG . . 4.090 3.424 2.378 4.177 0.087 9 0 "[ . 1 . 2]" 1
975 1 79 ALA H 1 79 ALA MB . . 3.570 2.420 2.352 2.541 . 0 0 "[ . 1 . 2]" 1
976 1 79 ALA HA 1 80 VAL H . . 3.200 2.197 2.179 2.221 . 0 0 "[ . 1 . 2]" 1
977 1 79 ALA HA 1 88 LYS HB2 . . 4.790 3.273 2.912 4.118 . 0 0 "[ . 1 . 2]" 1
978 1 79 ALA HA 1 88 LYS QB . . 4.220 2.400 2.032 3.046 . 0 0 "[ . 1 . 2]" 1
979 1 79 ALA HA 1 88 LYS HB3 . . 4.790 2.532 2.072 4.462 . 0 0 "[ . 1 . 2]" 1
980 1 79 ALA HA 1 88 LYS QG . . 4.990 3.625 1.939 4.513 . 0 0 "[ . 1 . 2]" 1
981 1 79 ALA MB 1 80 VAL H . . 3.530 2.952 2.870 3.024 . 0 0 "[ . 1 . 2]" 1
982 1 79 ALA MB 1 88 LYS HA . . 4.070 3.957 3.782 4.086 0.016 19 0 "[ . 1 . 2]" 1
983 1 80 VAL HA 1 80 VAL MG2 . . 3.530 2.374 2.311 2.426 . 0 0 "[ . 1 . 2]" 1
984 1 80 VAL HA 1 81 ILE HB . . 5.330 4.716 4.608 4.803 . 0 0 "[ . 1 . 2]" 1
985 1 80 VAL HA 1 81 ILE MD . . 5.140 4.535 3.417 5.061 . 0 0 "[ . 1 . 2]" 1
986 1 80 VAL HA 1 81 ILE QG . . 4.970 3.648 3.403 4.010 . 0 0 "[ . 1 . 2]" 1
987 1 80 VAL HA 1 81 ILE MG . . 5.500 5.458 5.423 5.469 . 0 0 "[ . 1 . 2]" 1
988 1 80 VAL MG1 1 81 ILE HA . . 5.290 4.092 3.987 4.218 . 0 0 "[ . 1 . 2]" 1
989 1 80 VAL MG1 1 87 VAL MG1 . . 4.190 2.893 1.804 4.167 . 0 0 "[ . 1 . 2]" 1
990 1 80 VAL MG1 1 87 VAL QG . . 3.220 2.151 1.796 3.056 . 0 0 "[ . 1 . 2]" 1
991 1 80 VAL MG1 1 87 VAL MG2 . . 4.190 2.946 1.813 3.702 . 0 0 "[ . 1 . 2]" 1
992 1 80 VAL MG1 1 89 PHE QD . . 3.580 2.714 2.393 2.875 . 0 0 "[ . 1 . 2]" 1
993 1 80 VAL MG2 1 89 PHE QD . . 5.240 5.030 4.672 5.211 . 0 0 "[ . 1 . 2]" 1
994 1 81 ILE H 1 81 ILE QG . . 4.080 2.625 2.303 3.143 . 0 0 "[ . 1 . 2]" 1
995 1 81 ILE HA 1 81 ILE MD . . 3.970 3.836 3.662 3.888 . 0 0 "[ . 1 . 2]" 1
996 1 81 ILE HA 1 81 ILE HG12 . . 4.180 2.830 2.621 3.296 . 0 0 "[ . 1 . 2]" 1
997 1 81 ILE HA 1 81 ILE QG . . 3.670 2.469 2.339 2.543 . 0 0 "[ . 1 . 2]" 1
998 1 81 ILE HA 1 81 ILE HG13 . . 4.180 2.906 2.394 3.255 . 0 0 "[ . 1 . 2]" 1
999 1 81 ILE HA 1 81 ILE MG . . 3.430 2.291 2.216 2.375 . 0 0 "[ . 1 . 2]" 1
1000 1 81 ILE HA 1 82 ALA HA . . 5.500 4.451 4.419 4.498 . 0 0 "[ . 1 . 2]" 1
1001 1 81 ILE HA 1 82 ALA MB . . 4.960 3.863 3.817 3.902 . 0 0 "[ . 1 . 2]" 1
1002 1 81 ILE HA 1 86 LYS HA . . 3.430 2.272 2.134 2.418 . 0 0 "[ . 1 . 2]" 1
1003 1 81 ILE HA 1 86 LYS QB . . 4.450 3.730 2.540 4.222 . 0 0 "[ . 1 . 2]" 1
1004 1 81 ILE HA 1 86 LYS QD . . 5.340 5.058 4.098 5.353 0.013 16 0 "[ . 1 . 2]" 1
1005 1 81 ILE HA 1 86 LYS QG . . 4.920 3.557 3.275 4.448 . 0 0 "[ . 1 . 2]" 1
1006 1 81 ILE HB 1 81 ILE MD . . 3.400 2.279 2.072 2.407 . 0 0 "[ . 1 . 2]" 1
1007 1 81 ILE HB 1 82 ALA HA . . 5.200 4.510 4.357 4.660 . 0 0 "[ . 1 . 2]" 1
1008 1 81 ILE HB 1 86 LYS HA . . 5.410 4.698 4.493 4.936 . 0 0 "[ . 1 . 2]" 1
1009 1 81 ILE MD 1 81 ILE MG . . 2.890 2.273 1.926 2.891 0.001 17 0 "[ . 1 . 2]" 1
1010 1 81 ILE MD 1 86 LYS HA . . 4.710 4.332 4.057 4.768 0.058 15 0 "[ . 1 . 2]" 1
1011 1 81 ILE MD 1 86 LYS QB . . 4.160 3.373 2.806 4.090 . 0 0 "[ . 1 . 2]" 1
1012 1 81 ILE MD 1 86 LYS HD2 . . 5.160 3.535 1.969 5.072 . 0 0 "[ . 1 . 2]" 1
1013 1 81 ILE MD 1 86 LYS QD . . 4.510 3.016 1.939 4.247 . 0 0 "[ . 1 . 2]" 1
1014 1 81 ILE MD 1 86 LYS HD3 . . 5.160 3.702 2.714 4.725 . 0 0 "[ . 1 . 2]" 1
1015 1 81 ILE MD 1 86 LYS HE2 . . 5.210 3.134 1.955 4.619 . 0 0 "[ . 1 . 2]" 1
1016 1 81 ILE MD 1 86 LYS QE . . 4.410 2.588 1.824 4.305 . 0 0 "[ . 1 . 2]" 1
1017 1 81 ILE MD 1 86 LYS HE3 . . 5.210 3.015 1.959 5.143 . 0 0 "[ . 1 . 2]" 1
1018 1 81 ILE MD 1 86 LYS QG . . 3.530 3.047 1.953 3.532 0.002 15 0 "[ . 1 . 2]" 1
1019 1 81 ILE QG 1 82 ALA H . . 4.370 4.088 4.002 4.188 . 0 0 "[ . 1 . 2]" 1
1020 1 81 ILE QG 1 86 LYS HA . . 4.060 2.862 2.619 3.436 . 0 0 "[ . 1 . 2]" 1
1021 1 81 ILE QG 1 86 LYS QB . . 3.990 2.495 1.864 3.394 . 0 0 "[ . 1 . 2]" 1
1022 1 81 ILE QG 1 86 LYS QD . . 4.500 2.980 1.960 3.986 . 0 0 "[ . 1 . 2]" 1
1023 1 81 ILE QG 1 86 LYS QE . . 4.310 2.763 1.979 3.716 . 0 0 "[ . 1 . 2]" 1
1024 1 81 ILE QG 1 86 LYS QG . . 3.370 2.159 1.767 3.473 0.103 15 0 "[ . 1 . 2]" 1
1025 1 81 ILE HG12 1 81 ILE MG . . 3.550 2.307 2.142 2.421 . 0 0 "[ . 1 . 2]" 1
1026 1 81 ILE HG12 1 86 LYS HA . . 4.810 3.033 2.670 3.524 . 0 0 "[ . 1 . 2]" 1
1027 1 81 ILE HG12 1 86 LYS HE2 . . 5.500 3.358 1.999 4.452 . 0 0 "[ . 1 . 2]" 1
1028 1 81 ILE HG12 1 86 LYS HE3 . . 5.500 3.441 2.212 4.492 . 0 0 "[ . 1 . 2]" 1
1029 1 81 ILE HG13 1 81 ILE MG . . 3.550 3.120 2.900 3.203 . 0 0 "[ . 1 . 2]" 1
1030 1 81 ILE HG13 1 86 LYS HA . . 4.810 3.907 2.826 4.757 . 0 0 "[ . 1 . 2]" 1
1031 1 81 ILE HG13 1 86 LYS HE2 . . 5.500 4.304 2.757 5.505 0.005 10 0 "[ . 1 . 2]" 1
1032 1 81 ILE HG13 1 86 LYS HE3 . . 5.500 4.478 2.541 5.507 0.007 3 0 "[ . 1 . 2]" 1
1033 1 81 ILE MG 1 82 ALA HA . . 3.810 3.520 3.366 3.795 . 0 0 "[ . 1 . 2]" 1
1034 1 81 ILE MG 1 83 GLY QA . . 5.180 4.211 3.719 4.820 . 0 0 "[ . 1 . 2]" 1
1035 1 81 ILE MG 1 85 SER QB . . 5.340 4.557 4.355 4.797 . 0 0 "[ . 1 . 2]" 1
1036 1 81 ILE MG 1 86 LYS HA . . 4.180 2.550 2.337 2.943 . 0 0 "[ . 1 . 2]" 1
1037 1 81 ILE MG 1 86 LYS HB2 . . 4.700 3.059 2.274 4.378 . 0 0 "[ . 1 . 2]" 1
1038 1 81 ILE MG 1 86 LYS QB . . 4.050 2.693 1.968 3.359 . 0 0 "[ . 1 . 2]" 1
1039 1 81 ILE MG 1 86 LYS HB3 . . 4.700 3.689 1.983 4.287 . 0 0 "[ . 1 . 2]" 1
1040 1 81 ILE MG 1 86 LYS HD2 . . 5.500 4.076 2.398 5.501 0.001 17 0 "[ . 1 . 2]" 1
1041 1 81 ILE MG 1 86 LYS HD3 . . 5.500 4.487 2.584 5.499 . 0 0 "[ . 1 . 2]" 1
1042 1 81 ILE MG 1 86 LYS HE2 . . 5.500 4.343 2.480 5.486 . 0 0 "[ . 1 . 2]" 1
1043 1 81 ILE MG 1 86 LYS QE . . 4.740 3.620 2.335 4.663 . 0 0 "[ . 1 . 2]" 1
1044 1 81 ILE MG 1 86 LYS HE3 . . 5.500 3.997 2.605 5.046 . 0 0 "[ . 1 . 2]" 1
1045 1 81 ILE MG 1 86 LYS QG . . 4.420 2.891 1.777 3.590 . 0 0 "[ . 1 . 2]" 1
1046 1 81 ILE MG 1 87 VAL H . . 4.610 4.209 4.011 4.546 . 0 0 "[ . 1 . 2]" 1
1047 1 82 ALA H 1 87 VAL QG . . 4.590 4.540 4.327 4.606 0.016 14 0 "[ . 1 . 2]" 1
1048 1 82 ALA HA 1 83 GLY HA2 . . 5.160 4.412 4.383 4.461 . 0 0 "[ . 1 . 2]" 1
1049 1 82 ALA HA 1 83 GLY QA . . 4.530 3.909 3.893 3.956 . 0 0 "[ . 1 . 2]" 1
1050 1 82 ALA HA 1 83 GLY HA3 . . 5.160 4.366 4.321 4.477 . 0 0 "[ . 1 . 2]" 1
1051 1 82 ALA MB 1 85 SER QB . . 4.510 3.447 3.201 3.952 . 0 0 "[ . 1 . 2]" 1
1052 1 82 ALA MB 1 86 LYS HA . . 5.500 4.881 4.204 5.101 . 0 0 "[ . 1 . 2]" 1
1053 1 85 SER HA 1 86 LYS HA . . 5.240 4.411 4.393 4.438 . 0 0 "[ . 1 . 2]" 1
1054 1 85 SER HA 1 86 LYS QB . . 5.120 4.158 3.945 4.524 . 0 0 "[ . 1 . 2]" 1
1055 1 85 SER QB 1 86 LYS HA . . 5.170 4.481 4.223 4.606 . 0 0 "[ . 1 . 2]" 1
1056 1 85 SER QB 1 87 VAL QG . . 4.600 4.116 3.597 4.622 0.022 14 0 "[ . 1 . 2]" 1
1057 1 86 LYS H 1 86 LYS QG . . 4.570 3.517 2.030 4.187 . 0 0 "[ . 1 . 2]" 1
1058 1 86 LYS HA 1 86 LYS HD2 . . 5.500 4.442 3.757 5.390 . 0 0 "[ . 1 . 2]" 1
1059 1 86 LYS HA 1 86 LYS HD3 . . 5.500 4.668 4.167 4.971 . 0 0 "[ . 1 . 2]" 1
1060 1 86 LYS HA 1 86 LYS QE . . 4.530 4.345 3.799 4.566 0.036 10 0 "[ . 1 . 2]" 1
1061 1 86 LYS HA 1 86 LYS HG2 . . 4.150 3.084 2.418 4.035 . 0 0 "[ . 1 . 2]" 1
1062 1 86 LYS HA 1 86 LYS QG . . 3.590 2.558 2.326 3.334 . 0 0 "[ . 1 . 2]" 1
1063 1 86 LYS HA 1 86 LYS HG3 . . 4.150 2.954 2.581 3.648 . 0 0 "[ . 1 . 2]" 1
1064 1 86 LYS HA 1 87 VAL HA . . 5.500 4.404 4.394 4.428 . 0 0 "[ . 1 . 2]" 1
1065 1 86 LYS HA 1 87 VAL QG . . 4.900 3.468 3.189 3.680 . 0 0 "[ . 1 . 2]" 1
1066 1 86 LYS QB 1 86 LYS QD . . 3.340 2.137 2.005 2.316 . 0 0 "[ . 1 . 2]" 1
1067 1 86 LYS QB 1 86 LYS QE . . 3.380 2.730 1.936 3.391 0.011 11 0 "[ . 1 . 2]" 1
1068 1 86 LYS QB 1 87 VAL HA . . 5.340 4.452 4.064 4.701 . 0 0 "[ . 1 . 2]" 1
1069 1 86 LYS HB2 1 86 LYS HE2 . . 4.720 3.643 1.999 4.729 0.009 18 0 "[ . 1 . 2]" 1
1070 1 86 LYS HB2 1 86 LYS HE3 . . 4.720 3.600 2.000 4.651 . 0 0 "[ . 1 . 2]" 1
1071 1 86 LYS HB3 1 86 LYS HE2 . . 4.720 3.817 2.419 4.722 0.002 8 0 "[ . 1 . 2]" 1
1072 1 86 LYS HB3 1 86 LYS HE3 . . 4.720 3.835 2.032 4.729 0.009 19 0 "[ . 1 . 2]" 1
1073 1 86 LYS QE 1 86 LYS QG . . 3.230 2.189 1.947 2.676 . 0 0 "[ . 1 . 2]" 1
1074 1 86 LYS QG 1 87 VAL H . . 5.070 3.357 2.597 4.430 . 0 0 "[ . 1 . 2]" 1
1075 1 87 VAL HA 1 87 VAL MG1 . . 3.350 2.597 2.124 3.203 . 0 0 "[ . 1 . 2]" 1
1076 1 87 VAL HA 1 87 VAL MG2 . . 3.350 2.594 2.233 3.200 . 0 0 "[ . 1 . 2]" 1
1077 1 87 VAL QG 1 89 PHE QD . . 4.260 3.382 2.755 4.075 . 0 0 "[ . 1 . 2]" 1
1078 1 88 LYS HA 1 88 LYS HD2 . . 5.500 4.681 3.676 5.498 . 0 0 "[ . 1 . 2]" 1
1079 1 88 LYS HA 1 88 LYS HD3 . . 5.500 4.585 3.677 5.496 . 0 0 "[ . 1 . 2]" 1
1080 1 88 LYS HA 1 88 LYS HE2 . . 5.500 5.121 4.203 5.473 . 0 0 "[ . 1 . 2]" 1
1081 1 88 LYS HA 1 88 LYS HE3 . . 5.500 5.026 4.009 5.411 . 0 0 "[ . 1 . 2]" 1
1082 1 88 LYS HA 1 88 LYS QG . . 3.600 3.078 2.351 3.430 . 0 0 "[ . 1 . 2]" 1
1083 1 88 LYS QB 1 88 LYS QE . . 4.210 2.678 2.211 3.538 . 0 0 "[ . 1 . 2]" 1
1084 1 88 LYS HB2 1 88 LYS HE2 . . 5.500 3.673 2.409 5.157 . 0 0 "[ . 1 . 2]" 1
1085 1 88 LYS HB2 1 88 LYS HE3 . . 5.500 3.586 2.308 4.933 . 0 0 "[ . 1 . 2]" 1
1086 1 88 LYS HB3 1 88 LYS HE2 . . 5.500 3.726 2.597 4.854 . 0 0 "[ . 1 . 2]" 1
1087 1 88 LYS HB3 1 88 LYS HE3 . . 5.500 3.587 2.470 4.653 . 0 0 "[ . 1 . 2]" 1
1088 1 89 PHE HA 1 89 PHE QD . . 3.810 3.668 3.643 3.690 . 0 0 "[ . 1 . 2]" 1
1089 1 90 ASP H 1 91 LEU H . . 5.180 4.535 4.512 4.566 . 0 0 "[ . 1 . 2]" 1
1090 1 90 ASP HA 1 91 LEU H . . 3.150 2.221 2.182 2.328 . 0 0 "[ . 1 . 2]" 1
1091 1 90 ASP QB 1 92 LYS QD . . 5.180 4.022 3.070 5.062 . 0 0 "[ . 1 . 2]" 1
1092 1 90 ASP QB 1 92 LYS QG . . 4.620 3.841 3.247 4.515 . 0 0 "[ . 1 . 2]" 1
1093 1 91 LEU HA 1 91 LEU MD1 . . 4.110 2.942 2.108 3.331 . 0 0 "[ . 1 . 2]" 1
1094 1 91 LEU HA 1 91 LEU QD . . 3.260 2.259 1.912 3.073 . 0 0 "[ . 1 . 2]" 1
1095 1 91 LEU HA 1 91 LEU MD2 . . 4.110 2.936 1.929 3.981 . 0 0 "[ . 1 . 2]" 1
1096 1 91 LEU HA 1 91 LEU HG . . 3.820 3.358 2.801 3.688 . 0 0 "[ . 1 . 2]" 1
1097 1 91 LEU QD 1 93 VAL HA . . 5.090 3.780 2.873 4.542 . 0 0 "[ . 1 . 2]" 1
1098 1 92 LYS H 1 92 LYS QB . . 3.270 2.318 2.118 2.554 . 0 0 "[ . 1 . 2]" 1
1099 1 92 LYS H 1 92 LYS QG . . 3.840 2.930 2.141 3.701 . 0 0 "[ . 1 . 2]" 1
1100 1 92 LYS HA 1 92 LYS HD2 . . 5.430 4.293 3.614 4.915 . 0 0 "[ . 1 . 2]" 1
1101 1 92 LYS HA 1 92 LYS QD . . 4.630 3.880 3.462 4.140 . 0 0 "[ . 1 . 2]" 1
1102 1 92 LYS HA 1 92 LYS HD3 . . 5.430 4.486 4.285 4.712 . 0 0 "[ . 1 . 2]" 1
1103 1 92 LYS HA 1 92 LYS HE2 . . 5.500 5.063 4.229 5.445 . 0 0 "[ . 1 . 2]" 1
1104 1 92 LYS HA 1 92 LYS HE3 . . 5.500 5.086 4.445 5.426 . 0 0 "[ . 1 . 2]" 1
1105 1 92 LYS HA 1 92 LYS HG2 . . 4.250 2.973 2.337 3.504 . 0 0 "[ . 1 . 2]" 1
1106 1 92 LYS HA 1 92 LYS QG . . 3.650 2.325 2.016 2.575 . 0 0 "[ . 1 . 2]" 1
1107 1 92 LYS HA 1 92 LYS HG3 . . 4.250 2.522 2.036 3.128 . 0 0 "[ . 1 . 2]" 1
1108 1 93 VAL HA 1 93 VAL MG1 . . 3.570 2.338 2.125 3.198 . 0 0 "[ . 1 . 2]" 1
1109 1 93 VAL HA 1 93 VAL QG . . 3.130 2.085 2.019 2.273 . 0 0 "[ . 1 . 2]" 1
1110 1 93 VAL HA 1 93 VAL MG2 . . 3.570 2.473 2.263 2.540 . 0 0 "[ . 1 . 2]" 1
1111 1 93 VAL HA 1 94 ILE HA . . 5.150 4.372 4.359 4.379 . 0 0 "[ . 1 . 2]" 1
1112 1 93 VAL HA 1 94 ILE HG12 . . 5.500 4.705 4.644 4.828 . 0 0 "[ . 1 . 2]" 1
1113 1 93 VAL HB 1 94 ILE H . . 4.330 3.929 3.846 4.200 . 0 0 "[ . 1 . 2]" 1
1114 1 93 VAL QG 1 94 ILE HA . . 4.820 3.944 3.611 4.063 . 0 0 "[ . 1 . 2]" 1
1115 1 93 VAL MG1 1 94 ILE HA . . 5.500 4.116 4.037 4.343 . 0 0 "[ . 1 . 2]" 1
1116 1 93 VAL MG2 1 94 ILE HA . . 5.500 5.347 3.927 5.628 0.128 15 0 "[ . 1 . 2]" 1
1117 1 94 ILE H 1 94 ILE HG12 . . 3.710 3.497 3.311 3.652 . 0 0 "[ . 1 . 2]" 1
1118 1 94 ILE H 1 94 ILE MG . . 4.750 3.829 3.793 3.848 . 0 0 "[ . 1 . 2]" 1
1119 1 94 ILE HA 1 94 ILE MD . . 3.970 3.873 3.868 3.888 . 0 0 "[ . 1 . 2]" 1
1120 1 94 ILE HA 1 94 ILE HG12 . . 3.890 2.632 2.622 2.656 . 0 0 "[ . 1 . 2]" 1
1121 1 94 ILE HA 1 94 ILE HG13 . . 4.030 3.146 3.069 3.173 . 0 0 "[ . 1 . 2]" 1
1122 1 94 ILE HA 1 94 ILE MG . . 3.220 2.249 2.191 2.308 . 0 0 "[ . 1 . 2]" 1
1123 1 94 ILE HB 1 94 ILE MD . . 3.420 2.361 2.302 2.408 . 0 0 "[ . 1 . 2]" 1
1124 1 94 ILE MD 1 94 ILE MG . . 2.810 2.023 1.919 2.110 . 0 0 "[ . 1 . 2]" 1
1125 1 94 ILE HG12 1 95 GLU H . . 4.430 4.393 4.339 4.439 0.009 16 0 "[ . 1 . 2]" 1
1126 1 95 GLU H 1 95 GLU HB2 . . 4.190 2.729 2.269 3.692 . 0 0 "[ . 1 . 2]" 1
1127 1 95 GLU H 1 95 GLU QB . . 3.590 2.523 2.191 3.004 . 0 0 "[ . 1 . 2]" 1
1128 1 95 GLU H 1 95 GLU HB3 . . 4.190 3.188 2.723 3.784 . 0 0 "[ . 1 . 2]" 1
1129 1 95 GLU H 1 95 GLU HG2 . . 5.500 4.266 2.149 4.959 . 0 0 "[ . 1 . 2]" 1
1130 1 95 GLU H 1 95 GLU QG . . 4.630 3.682 2.028 4.143 . 0 0 "[ . 1 . 2]" 1
1131 1 95 GLU H 1 95 GLU HG3 . . 5.500 4.101 2.095 4.710 . 0 0 "[ . 1 . 2]" 1
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