Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
518907 | 2lhj RC | 17855 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lhj
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 974
_Distance_constraint_stats_list.Viol_count 541
_Distance_constraint_stats_list.Viol_total 122.239
_Distance_constraint_stats_list.Viol_max 0.186
_Distance_constraint_stats_list.Viol_rms 0.0076
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0013
_Distance_constraint_stats_list.Viol_average_violations_only 0.0226
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 ALA 0.006 0.004 5 0 "[ . 1]"
1 3 GLY 0.032 0.017 5 0 "[ . 1]"
1 4 ALA 0.019 0.019 9 0 "[ . 1]"
1 5 SER 0.019 0.019 9 0 "[ . 1]"
1 6 ASP 0.003 0.003 8 0 "[ . 1]"
1 7 ARG 0.008 0.006 5 0 "[ . 1]"
1 8 THR 0.000 0.000 . 0 "[ . 1]"
1 9 GLY 0.000 0.000 . 0 "[ . 1]"
1 10 VAL 0.038 0.017 5 0 "[ . 1]"
1 11 ARG 0.031 0.010 5 0 "[ . 1]"
1 12 ARG 0.023 0.006 2 0 "[ . 1]"
1 15 LYS 0.066 0.028 5 0 "[ . 1]"
1 16 ALA 0.000 0.000 . 0 "[ . 1]"
1 17 LYS 0.000 0.000 . 0 "[ . 1]"
1 18 LYS 0.036 0.018 8 0 "[ . 1]"
1 19 ASP 0.000 0.000 . 0 "[ . 1]"
1 20 PRO 0.031 0.008 5 0 "[ . 1]"
1 21 ASN 0.000 0.000 . 0 "[ . 1]"
1 22 ALA 0.009 0.009 6 0 "[ . 1]"
1 23 PRO 0.000 0.000 . 0 "[ . 1]"
1 24 LYS 0.012 0.009 6 0 "[ . 1]"
1 25 ARG 0.115 0.023 2 0 "[ . 1]"
1 26 ALA 0.332 0.033 10 0 "[ . 1]"
1 27 LEU 2.362 0.096 2 0 "[ . 1]"
1 28 SER 0.456 0.045 7 0 "[ . 1]"
1 29 SER 0.000 0.000 . 0 "[ . 1]"
1 30 TYR 0.000 0.000 . 0 "[ . 1]"
1 31 MET 0.852 0.135 4 0 "[ . 1]"
1 32 PHE 0.112 0.073 4 0 "[ . 1]"
1 33 PHE 0.000 0.000 . 0 "[ . 1]"
1 34 ALA 0.997 0.062 10 0 "[ . 1]"
1 35 LYS 0.543 0.054 2 0 "[ . 1]"
1 36 GLU 0.503 0.054 5 0 "[ . 1]"
1 37 LYS 0.714 0.096 2 0 "[ . 1]"
1 38 ARG 2.034 0.092 5 0 "[ . 1]"
1 39 VAL 0.522 0.034 3 0 "[ . 1]"
1 40 GLU 0.474 0.114 5 0 "[ . 1]"
1 41 ILE 0.546 0.067 2 0 "[ . 1]"
1 42 ILE 0.455 0.048 7 0 "[ . 1]"
1 43 ALA 0.003 0.003 6 0 "[ . 1]"
1 44 GLU 0.001 0.001 9 0 "[ . 1]"
1 45 ASN 0.266 0.069 8 0 "[ . 1]"
1 46 PRO 0.000 0.000 . 0 "[ . 1]"
1 47 GLU 0.013 0.013 6 0 "[ . 1]"
1 48 ILE 0.286 0.069 8 0 "[ . 1]"
1 49 ALA 0.141 0.026 6 0 "[ . 1]"
1 50 LYS 0.000 0.000 . 0 "[ . 1]"
1 51 ASP 0.096 0.025 10 0 "[ . 1]"
1 52 VAL 0.000 0.000 . 0 "[ . 1]"
1 53 ALA 0.000 0.000 . 0 "[ . 1]"
1 54 ALA 0.037 0.037 10 0 "[ . 1]"
1 55 ILE 0.171 0.103 10 0 "[ . 1]"
1 56 GLY 0.037 0.037 10 0 "[ . 1]"
1 57 LYS 0.169 0.058 4 0 "[ . 1]"
1 58 MET 0.144 0.103 10 0 "[ . 1]"
1 59 ILE 0.077 0.032 3 0 "[ . 1]"
1 60 GLY 0.002 0.002 2 0 "[ . 1]"
1 61 ALA 0.046 0.017 7 0 "[ . 1]"
1 62 ALA 0.187 0.038 10 0 "[ . 1]"
1 63 TRP 0.092 0.038 10 0 "[ . 1]"
1 64 ASN 0.156 0.126 3 0 "[ . 1]"
1 65 ALA 0.137 0.033 10 0 "[ . 1]"
1 66 LEU 1.921 0.186 9 0 "[ . 1]"
1 67 SER 0.005 0.005 2 0 "[ . 1]"
1 68 ASP 0.005 0.005 2 0 "[ . 1]"
1 69 GLU 0.019 0.010 2 0 "[ . 1]"
1 70 GLU 0.167 0.026 7 0 "[ . 1]"
1 71 LYS 0.003 0.003 8 0 "[ . 1]"
1 72 LYS 0.160 0.026 7 0 "[ . 1]"
1 75 GLU 0.000 0.000 . 0 "[ . 1]"
1 76 ARG 0.033 0.014 5 0 "[ . 1]"
1 77 MET 0.986 0.113 7 0 "[ . 1]"
1 78 SER 0.000 0.000 . 0 "[ . 1]"
1 79 ASP 0.000 0.000 . 0 "[ . 1]"
1 80 GLU 0.716 0.106 8 0 "[ . 1]"
1 82 ARG 0.282 0.035 2 0 "[ . 1]"
1 83 VAL 0.468 0.186 9 0 "[ . 1]"
1 84 ARG 0.521 0.101 9 0 "[ . 1]"
1 85 TYR 0.639 0.106 8 0 "[ . 1]"
1 86 GLU 0.762 0.047 9 0 "[ . 1]"
1 87 ARG 0.086 0.015 8 0 "[ . 1]"
1 88 GLU 0.020 0.007 1 0 "[ . 1]"
1 89 LYS 0.323 0.034 9 0 "[ . 1]"
1 90 ALA 0.817 0.047 9 0 "[ . 1]"
1 91 GLU 0.031 0.011 7 0 "[ . 1]"
1 92 TYR 0.209 0.034 3 0 "[ . 1]"
1 93 ALA 0.225 0.027 2 0 "[ . 1]"
1 94 GLN 0.925 0.063 2 0 "[ . 1]"
1 95 ARG 0.000 0.000 . 0 "[ . 1]"
1 96 LYS 0.002 0.002 1 0 "[ . 1]"
1 97 VAL 0.034 0.012 6 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 ALA H 1 10 VAL QG . . 5.440 4.703 4.192 5.232 . 0 0 "[ . 1]" 1
2 1 2 ALA H 1 12 ARG HB2 . . 4.230 4.060 3.513 4.234 0.004 5 0 "[ . 1]" 1
3 1 2 ALA H 1 12 ARG QB . . 3.500 3.090 2.510 3.328 . 0 0 "[ . 1]" 1
4 1 2 ALA H 1 12 ARG HB3 . . 4.230 3.212 2.570 3.502 . 0 0 "[ . 1]" 1
5 1 2 ALA H 1 12 ARG QG . . 5.340 4.607 3.929 5.217 . 0 0 "[ . 1]" 1
6 1 2 ALA HA 1 10 VAL HB . . 3.760 3.010 2.040 3.760 0.000 2 0 "[ . 1]" 1
7 1 2 ALA HA 1 10 VAL QG . . 5.290 2.588 1.961 3.105 . 0 0 "[ . 1]" 1
8 1 2 ALA HA 1 12 ARG QB . . 3.770 3.628 3.142 3.771 0.001 8 0 "[ . 1]" 1
9 1 2 ALA MB 1 3 GLY H . . 3.780 2.406 2.084 3.308 . 0 0 "[ . 1]" 1
10 1 2 ALA MB 1 10 VAL HB . . 3.830 3.411 2.876 3.830 . 0 0 "[ . 1]" 1
11 1 2 ALA MB 1 10 VAL QG . . 4.130 3.136 2.383 3.525 . 0 0 "[ . 1]" 1
12 1 2 ALA MB 1 12 ARG HA . . 4.140 3.734 3.433 3.995 . 0 0 "[ . 1]" 1
13 1 2 ALA MB 1 12 ARG QB . . 2.940 2.007 1.874 2.179 . 0 0 "[ . 1]" 1
14 1 3 GLY H 1 10 VAL H . . 4.750 4.538 4.076 4.767 0.017 5 0 "[ . 1]" 1
15 1 3 GLY H 1 10 VAL MG1 . . 5.500 3.530 2.311 4.130 . 0 0 "[ . 1]" 1
16 1 3 GLY H 1 10 VAL QG . . 4.760 2.943 1.840 3.439 . 0 0 "[ . 1]" 1
17 1 3 GLY H 1 10 VAL MG2 . . 5.500 3.321 1.874 4.202 . 0 0 "[ . 1]" 1
18 1 3 GLY QA 1 10 VAL HB . . 4.740 4.368 4.122 4.605 . 0 0 "[ . 1]" 1
19 1 3 GLY HA2 1 10 VAL HB . . 5.500 4.672 4.326 5.227 . 0 0 "[ . 1]" 1
20 1 3 GLY HA3 1 10 VAL HB . . 5.500 5.337 4.812 5.502 0.002 8 0 "[ . 1]" 1
21 1 4 ALA H 1 4 ALA MB . . 3.630 2.348 2.043 2.890 . 0 0 "[ . 1]" 1
22 1 4 ALA HA 1 10 VAL MG1 . . 5.500 4.703 3.959 5.437 . 0 0 "[ . 1]" 1
23 1 4 ALA HA 1 10 VAL QG . . 4.360 3.542 1.907 4.131 . 0 0 "[ . 1]" 1
24 1 4 ALA HA 1 10 VAL MG2 . . 5.500 3.849 1.910 5.494 . 0 0 "[ . 1]" 1
25 1 4 ALA MB 1 5 SER H . . 3.480 2.788 2.212 3.499 0.019 9 0 "[ . 1]" 1
26 1 4 ALA MB 1 10 VAL HB . . 3.720 3.399 3.124 3.720 . 0 0 "[ . 1]" 1
27 1 4 ALA MB 1 10 VAL MG1 . . 4.400 2.856 1.932 4.400 . 0 0 "[ . 1]" 1
28 1 4 ALA MB 1 10 VAL QG . . 2.930 2.142 1.825 2.923 . 0 0 "[ . 1]" 1
29 1 4 ALA MB 1 10 VAL MG2 . . 4.400 2.454 1.865 4.037 . 0 0 "[ . 1]" 1
30 1 6 ASP H 1 7 ARG QD . . 5.340 5.157 5.005 5.335 . 0 0 "[ . 1]" 1
31 1 6 ASP HA 1 10 VAL QG . . 5.440 5.207 4.869 5.435 . 0 0 "[ . 1]" 1
32 1 6 ASP QB 1 7 ARG QB . . 4.310 4.007 3.774 4.221 . 0 0 "[ . 1]" 1
33 1 6 ASP QB 1 7 ARG QD . . 4.610 3.821 3.395 4.282 . 0 0 "[ . 1]" 1
34 1 6 ASP QB 1 7 ARG QG . . 3.670 2.707 2.490 2.885 . 0 0 "[ . 1]" 1
35 1 6 ASP QB 1 10 VAL QG . . 3.780 3.426 3.095 3.783 0.003 8 0 "[ . 1]" 1
36 1 7 ARG H 1 7 ARG QD . . 4.620 3.620 3.328 3.918 . 0 0 "[ . 1]" 1
37 1 7 ARG H 1 7 ARG QG . . 3.630 2.549 2.052 3.002 . 0 0 "[ . 1]" 1
38 1 7 ARG H 1 10 VAL MG1 . . 5.500 4.601 2.751 5.412 . 0 0 "[ . 1]" 1
39 1 7 ARG H 1 10 VAL QG . . 4.040 2.760 2.388 3.109 . 0 0 "[ . 1]" 1
40 1 7 ARG H 1 10 VAL MG2 . . 5.500 3.183 2.394 5.439 . 0 0 "[ . 1]" 1
41 1 7 ARG HA 1 7 ARG QG . . 3.450 2.537 2.478 2.576 . 0 0 "[ . 1]" 1
42 1 7 ARG HA 1 10 VAL QG . . 4.810 4.416 4.037 4.800 . 0 0 "[ . 1]" 1
43 1 7 ARG QB 1 7 ARG QD . . 2.610 2.084 2.038 2.141 . 0 0 "[ . 1]" 1
44 1 7 ARG QB 1 7 ARG QG . . 2.180 2.070 2.061 2.083 . 0 0 "[ . 1]" 1
45 1 7 ARG QB 1 8 THR H . . 3.780 2.173 1.953 2.450 . 0 0 "[ . 1]" 1
46 1 7 ARG QB 1 9 GLY H . . 4.170 2.559 2.500 2.688 . 0 0 "[ . 1]" 1
47 1 7 ARG QB 1 10 VAL HA . . 4.020 3.356 2.992 3.880 . 0 0 "[ . 1]" 1
48 1 7 ARG QB 1 10 VAL QG . . 3.180 2.202 1.868 2.847 . 0 0 "[ . 1]" 1
49 1 7 ARG HB2 1 7 ARG HD2 . . 4.040 2.605 2.171 3.503 . 0 0 "[ . 1]" 1
50 1 7 ARG HB2 1 7 ARG HD3 . . 4.040 2.605 2.115 2.907 . 0 0 "[ . 1]" 1
51 1 7 ARG HB3 1 7 ARG HD2 . . 4.040 3.465 3.211 3.882 . 0 0 "[ . 1]" 1
52 1 7 ARG HB3 1 7 ARG HD3 . . 4.040 2.795 2.458 2.932 . 0 0 "[ . 1]" 1
53 1 7 ARG QD 1 10 VAL H . . 4.680 4.539 4.176 4.682 0.002 8 0 "[ . 1]" 1
54 1 7 ARG QD 1 10 VAL HA . . 3.620 3.030 2.678 3.398 . 0 0 "[ . 1]" 1
55 1 7 ARG QD 1 10 VAL QG . . 4.330 2.383 1.907 3.121 . 0 0 "[ . 1]" 1
56 1 7 ARG QD 1 11 ARG H . . 5.150 4.357 3.495 5.156 0.006 5 0 "[ . 1]" 1
57 1 7 ARG HD2 1 10 VAL HA . . 4.270 3.600 2.961 4.270 0.000 1 0 "[ . 1]" 1
58 1 7 ARG HD3 1 10 VAL HA . . 4.270 3.552 2.706 4.111 . 0 0 "[ . 1]" 1
59 1 7 ARG QG 1 8 THR H . . 4.370 3.850 3.733 4.040 . 0 0 "[ . 1]" 1
60 1 7 ARG QG 1 10 VAL QG . . 3.770 3.325 2.508 3.768 . 0 0 "[ . 1]" 1
61 1 8 THR HA 1 8 THR HB . . 2.550 2.487 2.437 2.534 . 0 0 "[ . 1]" 1
62 1 8 THR HA 1 8 THR MG . . 3.460 2.737 2.166 3.205 . 0 0 "[ . 1]" 1
63 1 9 GLY H 1 10 VAL H . . 4.020 2.982 2.073 3.474 . 0 0 "[ . 1]" 1
64 1 10 VAL H 1 10 VAL HB . . 3.750 2.788 2.545 3.624 . 0 0 "[ . 1]" 1
65 1 10 VAL H 1 10 VAL MG1 . . 4.570 3.525 2.438 3.792 . 0 0 "[ . 1]" 1
66 1 10 VAL H 1 10 VAL QG . . 3.880 2.080 1.864 2.223 . 0 0 "[ . 1]" 1
67 1 10 VAL H 1 10 VAL MG2 . . 4.570 2.106 1.903 2.239 . 0 0 "[ . 1]" 1
68 1 10 VAL H 1 11 ARG H . . 5.410 4.422 3.479 4.602 . 0 0 "[ . 1]" 1
69 1 10 VAL HA 1 10 VAL MG1 . . 3.470 2.298 2.161 2.368 . 0 0 "[ . 1]" 1
70 1 10 VAL HA 1 10 VAL MG2 . . 3.470 2.540 2.288 3.198 . 0 0 "[ . 1]" 1
71 1 10 VAL QG 1 12 ARG QB . . 5.280 4.294 3.945 4.928 . 0 0 "[ . 1]" 1
72 1 11 ARG H 1 11 ARG QG . . 4.200 3.705 2.886 4.136 . 0 0 "[ . 1]" 1
73 1 11 ARG HA 1 11 ARG HD2 . . 3.790 3.469 3.137 3.795 0.005 5 0 "[ . 1]" 1
74 1 11 ARG HA 1 11 ARG HD3 . . 3.790 2.316 2.000 3.716 . 0 0 "[ . 1]" 1
75 1 11 ARG HA 1 11 ARG QG . . 3.620 2.540 2.125 2.781 . 0 0 "[ . 1]" 1
76 1 11 ARG HA 1 12 ARG QD . . 4.030 3.130 2.601 3.747 . 0 0 "[ . 1]" 1
77 1 11 ARG QB 1 11 ARG QD . . 2.750 2.440 2.098 2.751 0.001 9 0 "[ . 1]" 1
78 1 11 ARG QB 1 12 ARG QD . . 4.700 4.452 3.973 4.702 0.002 9 0 "[ . 1]" 1
79 1 11 ARG QD 1 12 ARG H . . 5.010 2.810 2.247 3.115 . 0 0 "[ . 1]" 1
80 1 11 ARG QD 1 12 ARG QD . . 3.870 3.551 3.110 3.870 . 0 0 "[ . 1]" 1
81 1 11 ARG QD 1 15 LYS QB . . 4.860 3.471 2.064 4.504 . 0 0 "[ . 1]" 1
82 1 11 ARG QD 1 15 LYS QD . . 2.820 2.652 1.992 2.830 0.010 5 0 "[ . 1]" 1
83 1 12 ARG H 1 12 ARG QG . . 4.900 2.455 2.119 2.771 . 0 0 "[ . 1]" 1
84 1 12 ARG HA 1 12 ARG HD2 . . 5.140 3.836 3.563 4.111 . 0 0 "[ . 1]" 1
85 1 12 ARG HA 1 12 ARG QD . . 4.350 3.577 3.471 3.669 . 0 0 "[ . 1]" 1
86 1 12 ARG HA 1 12 ARG HD3 . . 5.140 4.459 3.927 4.930 . 0 0 "[ . 1]" 1
87 1 12 ARG HA 1 12 ARG QG . . 3.600 3.422 3.369 3.438 . 0 0 "[ . 1]" 1
88 1 12 ARG QB 1 12 ARG QD . . 3.280 2.197 2.057 2.325 . 0 0 "[ . 1]" 1
89 1 12 ARG QD 1 15 LYS HA . . 4.280 3.826 2.533 4.286 0.006 2 0 "[ . 1]" 1
90 1 12 ARG QD 1 15 LYS QB . . 4.490 3.887 2.670 4.442 . 0 0 "[ . 1]" 1
91 1 12 ARG QD 1 15 LYS QD . . 2.890 2.482 1.968 2.890 . 0 0 "[ . 1]" 1
92 1 15 LYS H 1 15 LYS QB . . 3.250 2.265 2.135 2.449 . 0 0 "[ . 1]" 1
93 1 15 LYS H 1 15 LYS QD . . 3.790 3.693 3.555 3.794 0.004 2 0 "[ . 1]" 1
94 1 15 LYS H 1 15 LYS QE . . 5.340 5.080 4.729 5.368 0.028 5 0 "[ . 1]" 1
95 1 15 LYS HA 1 15 LYS QB . . 2.620 2.441 2.394 2.470 . 0 0 "[ . 1]" 1
96 1 15 LYS HA 1 15 LYS QD . . 3.360 2.055 1.987 2.176 . 0 0 "[ . 1]" 1
97 1 15 LYS HA 1 15 LYS QE . . 4.140 3.592 3.112 4.140 . 0 0 "[ . 1]" 1
98 1 15 LYS HA 1 15 LYS QG . . 3.490 2.713 2.665 2.809 . 0 0 "[ . 1]" 1
99 1 15 LYS QB 1 15 LYS QD . . 3.060 2.435 2.218 2.695 . 0 0 "[ . 1]" 1
100 1 15 LYS QD 1 15 LYS QG . . 2.180 2.043 2.011 2.070 . 0 0 "[ . 1]" 1
101 1 15 LYS QD 1 16 ALA H . . 4.120 3.243 2.481 3.748 . 0 0 "[ . 1]" 1
102 1 15 LYS QE 1 15 LYS QG . . 3.150 2.168 1.994 2.407 . 0 0 "[ . 1]" 1
103 1 15 LYS QG 1 16 ALA H . . 4.960 3.491 2.114 4.726 . 0 0 "[ . 1]" 1
104 1 17 LYS HA 1 17 LYS QD . . 3.690 2.900 2.030 3.687 . 0 0 "[ . 1]" 1
105 1 17 LYS HA 1 17 LYS QE . . 3.950 3.032 2.006 3.935 . 0 0 "[ . 1]" 1
106 1 17 LYS HA 1 17 LYS QG . . 2.840 2.435 2.185 2.789 . 0 0 "[ . 1]" 1
107 1 17 LYS QB 1 17 LYS QG . . 2.330 2.018 2.009 2.021 . 0 0 "[ . 1]" 1
108 1 17 LYS QB 1 18 LYS H . . 4.000 3.265 2.809 3.852 . 0 0 "[ . 1]" 1
109 1 17 LYS QE 1 17 LYS QG . . 3.290 2.160 1.979 2.512 . 0 0 "[ . 1]" 1
110 1 18 LYS H 1 18 LYS HA . . 2.900 2.846 2.759 2.918 0.018 8 0 "[ . 1]" 1
111 1 18 LYS HA 1 18 LYS QG . . 3.700 2.588 2.096 3.328 . 0 0 "[ . 1]" 1
112 1 18 LYS QB 1 18 LYS QG . . 2.180 2.054 2.016 2.082 . 0 0 "[ . 1]" 1
113 1 19 ASP HA 1 20 PRO HD2 . . 3.320 2.421 2.419 2.424 . 0 0 "[ . 1]" 1
114 1 19 ASP HA 1 20 PRO HD3 . . 3.320 2.306 2.305 2.307 . 0 0 "[ . 1]" 1
115 1 19 ASP QB 1 20 PRO QD . . 3.340 2.014 1.971 2.132 . 0 0 "[ . 1]" 1
116 1 20 PRO HA 1 22 ALA H . . 5.500 4.557 4.211 4.959 . 0 0 "[ . 1]" 1
117 1 20 PRO HA 1 47 GLU QB . . 3.920 3.242 2.971 3.693 . 0 0 "[ . 1]" 1
118 1 20 PRO HA 1 47 GLU QG . . 4.380 3.559 3.202 4.136 . 0 0 "[ . 1]" 1
119 1 20 PRO HA 1 48 ILE MG . . 4.440 4.290 3.731 4.448 0.008 3 0 "[ . 1]" 1
120 1 20 PRO QB 1 21 ASN H . . 4.060 3.104 2.991 3.585 . 0 0 "[ . 1]" 1
121 1 20 PRO QB 1 45 ASN HB3 . . 4.840 4.167 3.763 4.685 . 0 0 "[ . 1]" 1
122 1 20 PRO QB 1 45 ASN QD . . 3.680 2.111 1.864 2.765 . 0 0 "[ . 1]" 1
123 1 20 PRO QB 1 47 GLU QB . . 2.580 2.366 1.977 2.581 0.001 7 0 "[ . 1]" 1
124 1 20 PRO QB 1 48 ILE H . . 3.890 3.801 3.656 3.895 0.005 8 0 "[ . 1]" 1
125 1 20 PRO QB 1 48 ILE MD . . 3.980 3.369 3.170 3.518 . 0 0 "[ . 1]" 1
126 1 20 PRO QB 1 48 ILE MG . . 3.550 2.371 2.070 2.520 . 0 0 "[ . 1]" 1
127 1 20 PRO QD 1 45 ASN QD . . 4.960 4.547 4.098 4.755 . 0 0 "[ . 1]" 1
128 1 20 PRO QG 1 48 ILE MG . . 3.050 2.796 2.483 3.058 0.008 5 0 "[ . 1]" 1
129 1 21 ASN H 1 21 ASN QB . . 3.690 3.035 2.311 3.361 . 0 0 "[ . 1]" 1
130 1 21 ASN H 1 22 ALA H . . 4.450 2.936 2.729 4.243 . 0 0 "[ . 1]" 1
131 1 21 ASN H 1 45 ASN QD . . 5.260 4.369 4.000 4.900 . 0 0 "[ . 1]" 1
132 1 21 ASN HA 1 22 ALA MB . . 4.770 4.481 4.101 4.626 . 0 0 "[ . 1]" 1
133 1 21 ASN QD 1 22 ALA H . . 4.750 4.570 4.227 4.731 . 0 0 "[ . 1]" 1
134 1 22 ALA H 1 22 ALA MB . . 3.380 2.210 2.069 2.488 . 0 0 "[ . 1]" 1
135 1 22 ALA H 1 24 LYS QD . . 4.940 4.386 3.865 4.921 . 0 0 "[ . 1]" 1
136 1 22 ALA H 1 24 LYS QE . . 4.710 3.463 2.956 4.091 . 0 0 "[ . 1]" 1
137 1 22 ALA HA 1 23 PRO QG . . 4.430 4.069 4.068 4.072 . 0 0 "[ . 1]" 1
138 1 22 ALA MB 1 24 LYS QE . . 3.840 3.500 3.055 3.849 0.009 6 0 "[ . 1]" 1
139 1 23 PRO HA 1 24 LYS H . . 3.280 2.202 2.150 2.337 . 0 0 "[ . 1]" 1
140 1 23 PRO HA 1 24 LYS QD . . 3.890 3.384 3.021 3.889 . 0 0 "[ . 1]" 1
141 1 24 LYS H 1 24 LYS QD . . 3.340 2.823 2.535 3.343 0.003 1 0 "[ . 1]" 1
142 1 24 LYS H 1 24 LYS QG . . 4.630 3.715 2.540 3.947 . 0 0 "[ . 1]" 1
143 1 24 LYS H 1 25 ARG QB . . 5.340 3.804 3.514 4.418 . 0 0 "[ . 1]" 1
144 1 24 LYS HA 1 24 LYS QB . . 2.560 2.458 2.291 2.502 . 0 0 "[ . 1]" 1
145 1 24 LYS HA 1 24 LYS QD . . 3.720 2.740 2.241 3.139 . 0 0 "[ . 1]" 1
146 1 24 LYS HA 1 24 LYS QE . . 4.960 4.189 3.699 4.709 . 0 0 "[ . 1]" 1
147 1 24 LYS HA 1 24 LYS QG . . 3.230 2.365 2.189 3.139 . 0 0 "[ . 1]" 1
148 1 24 LYS HA 1 25 ARG H . . 3.160 2.987 2.965 3.033 . 0 0 "[ . 1]" 1
149 1 24 LYS QB 1 25 ARG H . . 3.900 3.726 3.681 3.769 . 0 0 "[ . 1]" 1
150 1 24 LYS HB2 1 25 ARG H . . 4.660 4.071 4.032 4.098 . 0 0 "[ . 1]" 1
151 1 24 LYS HB3 1 25 ARG H . . 4.660 4.322 4.231 4.527 . 0 0 "[ . 1]" 1
152 1 24 LYS QD 1 24 LYS QG . . 2.360 2.075 2.025 2.091 . 0 0 "[ . 1]" 1
153 1 24 LYS QG 1 25 ARG H . . 5.340 4.827 4.550 4.931 . 0 0 "[ . 1]" 1
154 1 25 ARG H 1 25 ARG QB . . 3.160 2.287 2.127 2.524 . 0 0 "[ . 1]" 1
155 1 25 ARG H 1 25 ARG QD . . 5.340 4.586 4.401 4.882 . 0 0 "[ . 1]" 1
156 1 25 ARG H 1 25 ARG QG . . 4.880 3.904 3.735 4.033 . 0 0 "[ . 1]" 1
157 1 25 ARG HA 1 25 ARG QG . . 3.430 2.515 2.037 3.120 . 0 0 "[ . 1]" 1
158 1 25 ARG HA 1 26 ALA H . . 3.430 2.276 2.141 2.507 . 0 0 "[ . 1]" 1
159 1 25 ARG QB 1 26 ALA H . . 3.990 3.358 2.620 3.908 . 0 0 "[ . 1]" 1
160 1 25 ARG QB 1 66 LEU MD1 . . 5.340 5.321 5.199 5.360 0.020 5 0 "[ . 1]" 1
161 1 25 ARG QD 1 25 ARG QG . . 2.370 2.032 1.986 2.084 . 0 0 "[ . 1]" 1
162 1 25 ARG QD 1 26 ALA H . . 3.900 2.117 1.927 2.601 . 0 0 "[ . 1]" 1
163 1 25 ARG QD 1 26 ALA HA . . 4.800 4.367 4.222 4.580 . 0 0 "[ . 1]" 1
164 1 25 ARG QD 1 26 ALA MB . . 3.430 3.375 3.065 3.453 0.023 2 0 "[ . 1]" 1
165 1 25 ARG QD 1 65 ALA MB . . 5.040 4.932 4.504 5.046 0.006 5 0 "[ . 1]" 1
166 1 25 ARG QD 1 66 LEU HA . . 4.780 2.907 2.581 3.352 . 0 0 "[ . 1]" 1
167 1 25 ARG QD 1 66 LEU MD1 . . 4.480 3.020 2.886 3.213 . 0 0 "[ . 1]" 1
168 1 25 ARG HD2 1 26 ALA H . . 4.760 2.896 1.952 4.064 . 0 0 "[ . 1]" 1
169 1 25 ARG HD2 1 66 LEU MD1 . . 5.310 3.593 3.074 4.219 . 0 0 "[ . 1]" 1
170 1 25 ARG HD3 1 26 ALA H . . 4.760 2.468 1.949 3.592 . 0 0 "[ . 1]" 1
171 1 25 ARG HD3 1 66 LEU MD1 . . 5.310 3.327 3.090 3.538 . 0 0 "[ . 1]" 1
172 1 26 ALA H 1 26 ALA MB . . 3.430 2.193 2.073 2.370 . 0 0 "[ . 1]" 1
173 1 26 ALA H 1 27 LEU H . . 4.800 4.587 4.549 4.642 . 0 0 "[ . 1]" 1
174 1 26 ALA H 1 65 ALA HA . . 4.640 4.294 3.708 4.645 0.005 7 0 "[ . 1]" 1
175 1 26 ALA H 1 66 LEU HA . . 5.270 3.076 2.821 3.325 . 0 0 "[ . 1]" 1
176 1 26 ALA H 1 66 LEU MD1 . . 4.070 3.668 3.404 3.999 . 0 0 "[ . 1]" 1
177 1 26 ALA H 1 66 LEU MD2 . . 4.140 3.730 3.507 3.956 . 0 0 "[ . 1]" 1
178 1 26 ALA H 1 67 SER H . . 5.500 5.090 4.673 5.440 . 0 0 "[ . 1]" 1
179 1 26 ALA HA 1 38 ARG QD . . 5.050 4.071 3.933 4.212 . 0 0 "[ . 1]" 1
180 1 26 ALA HA 1 65 ALA MB . . 3.790 3.453 3.218 3.713 . 0 0 "[ . 1]" 1
181 1 26 ALA HA 1 87 ARG HG2 . . 4.220 3.839 3.274 4.206 . 0 0 "[ . 1]" 1
182 1 26 ALA HA 1 87 ARG HG3 . . 3.910 3.069 2.599 3.511 . 0 0 "[ . 1]" 1
183 1 26 ALA MB 1 27 LEU H . . 3.730 2.517 2.427 2.659 . 0 0 "[ . 1]" 1
184 1 26 ALA MB 1 27 LEU MD1 . . 3.990 3.945 3.863 4.013 0.023 1 0 "[ . 1]" 1
185 1 26 ALA MB 1 65 ALA H . . 4.440 4.437 4.286 4.473 0.033 10 0 "[ . 1]" 1
186 1 26 ALA MB 1 65 ALA MB . . 3.650 1.881 1.838 1.984 . 0 0 "[ . 1]" 1
187 1 26 ALA MB 1 66 LEU H . . 3.980 3.678 3.580 3.754 . 0 0 "[ . 1]" 1
188 1 26 ALA MB 1 66 LEU HA . . 3.910 2.889 2.703 3.163 . 0 0 "[ . 1]" 1
189 1 26 ALA MB 1 66 LEU MD1 . . 5.500 2.653 2.420 2.919 . 0 0 "[ . 1]" 1
190 1 26 ALA MB 1 66 LEU MD2 . . 5.500 1.999 1.890 2.116 . 0 0 "[ . 1]" 1
191 1 26 ALA MB 1 66 LEU HG . . 4.700 4.383 4.296 4.492 . 0 0 "[ . 1]" 1
192 1 26 ALA MB 1 67 SER H . . 5.330 5.052 4.911 5.269 . 0 0 "[ . 1]" 1
193 1 26 ALA MB 1 77 MET HA . . 5.500 5.512 5.483 5.530 0.030 9 0 "[ . 1]" 1
194 1 26 ALA MB 1 80 GLU QB . . 4.960 4.118 3.912 4.361 . 0 0 "[ . 1]" 1
195 1 26 ALA MB 1 80 GLU QG . . 5.080 2.979 2.870 3.142 . 0 0 "[ . 1]" 1
196 1 26 ALA MB 1 87 ARG HB2 . . 4.060 3.390 3.067 3.593 . 0 0 "[ . 1]" 1
197 1 26 ALA MB 1 87 ARG HG3 . . 3.400 2.387 1.991 2.690 . 0 0 "[ . 1]" 1
198 1 27 LEU H 1 27 LEU MD2 . . 5.150 3.600 3.571 3.646 . 0 0 "[ . 1]" 1
199 1 27 LEU H 1 27 LEU HG . . 5.400 4.074 3.993 4.165 . 0 0 "[ . 1]" 1
200 1 27 LEU H 1 28 SER H . . 4.810 4.548 4.515 4.561 . 0 0 "[ . 1]" 1
201 1 27 LEU H 1 38 ARG QD . . 4.720 4.129 3.967 4.308 . 0 0 "[ . 1]" 1
202 1 27 LEU H 1 66 LEU MD1 . . 5.270 5.273 5.135 5.298 0.028 5 0 "[ . 1]" 1
203 1 27 LEU H 1 66 LEU MD2 . . 5.500 4.915 4.724 5.197 . 0 0 "[ . 1]" 1
204 1 27 LEU H 1 83 VAL QG . . 4.710 3.879 3.507 4.386 . 0 0 "[ . 1]" 1
205 1 27 LEU H 1 87 ARG HG3 . . 5.500 3.041 2.536 3.577 . 0 0 "[ . 1]" 1
206 1 27 LEU HA 1 27 LEU MD1 . . 3.630 2.105 2.056 2.159 . 0 0 "[ . 1]" 1
207 1 27 LEU HA 1 27 LEU MD2 . . 3.880 3.822 3.815 3.828 . 0 0 "[ . 1]" 1
208 1 27 LEU HA 1 27 LEU HG . . 4.110 2.664 2.637 2.684 . 0 0 "[ . 1]" 1
209 1 27 LEU HA 1 28 SER H . . 3.480 2.153 2.143 2.158 . 0 0 "[ . 1]" 1
210 1 27 LEU HA 1 35 LYS QB . . 3.330 2.438 2.259 2.566 . 0 0 "[ . 1]" 1
211 1 27 LEU HA 1 38 ARG HB2 . . 4.670 4.735 4.708 4.762 0.092 5 0 "[ . 1]" 1
212 1 27 LEU HB2 1 86 GLU HB2 . . 3.850 3.744 3.507 3.858 0.008 8 0 "[ . 1]" 1
213 1 27 LEU HB2 1 87 ARG H . . 5.470 3.887 3.700 4.166 . 0 0 "[ . 1]" 1
214 1 27 LEU HB3 1 27 LEU HG . . 2.470 2.362 2.353 2.375 . 0 0 "[ . 1]" 1
215 1 27 LEU HB3 1 36 GLU HA . . 4.420 4.432 4.407 4.455 0.035 3 0 "[ . 1]" 1
216 1 27 LEU MD1 1 35 LYS QB . . 4.370 2.913 2.765 3.083 . 0 0 "[ . 1]" 1
217 1 27 LEU MD1 1 36 GLU HA . . 4.810 3.498 3.444 3.590 . 0 0 "[ . 1]" 1
218 1 27 LEU MD1 1 37 LYS H . . 5.250 5.192 5.101 5.248 . 0 0 "[ . 1]" 1
219 1 27 LEU MD1 1 38 ARG H . . 3.780 3.682 3.622 3.727 . 0 0 "[ . 1]" 1
220 1 27 LEU MD1 1 38 ARG HA . . 4.620 4.643 4.628 4.669 0.049 1 0 "[ . 1]" 1
221 1 27 LEU MD1 1 38 ARG HB2 . . 4.560 2.850 2.803 2.898 . 0 0 "[ . 1]" 1
222 1 27 LEU MD1 1 38 ARG HB3 . . 3.640 2.057 2.031 2.081 . 0 0 "[ . 1]" 1
223 1 27 LEU MD1 1 38 ARG QD . . 3.990 1.963 1.877 2.094 . 0 0 "[ . 1]" 1
224 1 27 LEU MD1 1 87 ARG HB2 . . 3.910 3.337 3.087 3.546 . 0 0 "[ . 1]" 1
225 1 27 LEU MD1 1 87 ARG HG2 . . 3.890 3.298 2.855 3.555 . 0 0 "[ . 1]" 1
226 1 27 LEU MD1 1 90 ALA H . . 5.350 4.747 4.490 4.990 . 0 0 "[ . 1]" 1
227 1 27 LEU MD1 1 90 ALA MB . . 3.820 3.624 3.342 3.821 0.001 5 0 "[ . 1]" 1
228 1 27 LEU MD2 1 28 SER H . . 5.020 4.989 4.937 5.065 0.045 9 0 "[ . 1]" 1
229 1 27 LEU MD2 1 32 PHE HB2 . . 3.950 3.472 3.412 3.525 . 0 0 "[ . 1]" 1
230 1 27 LEU MD2 1 32 PHE QD . . 5.500 4.344 4.206 4.462 . 0 0 "[ . 1]" 1
231 1 27 LEU MD2 1 35 LYS H . . 5.500 5.366 5.267 5.434 . 0 0 "[ . 1]" 1
232 1 27 LEU MD2 1 36 GLU H . . 4.540 3.772 3.711 3.816 . 0 0 "[ . 1]" 1
233 1 27 LEU MD2 1 36 GLU HA . . 4.670 1.895 1.890 1.900 . 0 0 "[ . 1]" 1
234 1 27 LEU MD2 1 36 GLU QG . . 4.160 3.174 3.103 3.245 . 0 0 "[ . 1]" 1
235 1 27 LEU MD2 1 37 LYS HA . . 5.500 5.569 5.553 5.596 0.096 2 0 "[ . 1]" 1
236 1 27 LEU MD2 1 83 VAL HB . . 5.500 3.912 3.813 4.112 . 0 0 "[ . 1]" 1
237 1 27 LEU MD2 1 86 GLU HA . . 5.070 3.833 3.695 4.049 . 0 0 "[ . 1]" 1
238 1 27 LEU MD2 1 87 ARG HA . . 4.930 2.116 1.968 2.373 . 0 0 "[ . 1]" 1
239 1 27 LEU MD2 1 87 ARG HB2 . . 3.640 3.160 3.013 3.397 . 0 0 "[ . 1]" 1
240 1 27 LEU MD2 1 89 LYS QB . . 4.720 3.880 3.686 4.023 . 0 0 "[ . 1]" 1
241 1 27 LEU MD2 1 90 ALA H . . 4.820 4.467 4.179 4.777 . 0 0 "[ . 1]" 1
242 1 27 LEU MD2 1 90 ALA MB . . 5.250 4.256 4.016 4.456 . 0 0 "[ . 1]" 1
243 1 27 LEU HG 1 35 LYS HA . . 4.340 4.017 3.921 4.129 . 0 0 "[ . 1]" 1
244 1 27 LEU HG 1 35 LYS QB . . 3.150 2.068 1.973 2.181 . 0 0 "[ . 1]" 1
245 1 27 LEU HG 1 36 GLU H . . 4.940 3.694 3.602 3.744 . 0 0 "[ . 1]" 1
246 1 27 LEU HG 1 36 GLU HA . . 3.790 2.869 2.814 2.967 . 0 0 "[ . 1]" 1
247 1 27 LEU HG 1 36 GLU QG . . 4.980 5.017 5.003 5.034 0.054 5 0 "[ . 1]" 1
248 1 27 LEU HG 1 38 ARG HB2 . . 3.940 3.887 3.767 3.946 0.006 8 0 "[ . 1]" 1
249 1 27 LEU HG 1 38 ARG QD . . 4.170 3.940 3.771 4.067 . 0 0 "[ . 1]" 1
250 1 28 SER H 1 29 SER H . . 4.740 4.637 4.631 4.642 . 0 0 "[ . 1]" 1
251 1 28 SER H 1 31 MET HB2 . . 5.500 4.782 4.562 4.915 . 0 0 "[ . 1]" 1
252 1 28 SER H 1 31 MET HB3 . . 5.260 3.925 3.725 4.147 . 0 0 "[ . 1]" 1
253 1 28 SER H 1 35 LYS QE . . 5.340 3.781 2.942 4.839 . 0 0 "[ . 1]" 1
254 1 28 SER H 1 35 LYS QG . . 3.450 1.927 1.910 1.935 . 0 0 "[ . 1]" 1
255 1 28 SER H 1 38 ARG QD . . 5.340 5.267 5.122 5.369 0.029 1 0 "[ . 1]" 1
256 1 28 SER HA 1 29 SER QB . . 4.640 4.363 4.192 4.542 . 0 0 "[ . 1]" 1
257 1 28 SER QB 1 29 SER H . . 3.920 2.812 2.359 3.281 . 0 0 "[ . 1]" 1
258 1 28 SER QB 1 31 MET HA . . 4.620 3.969 3.855 4.055 . 0 0 "[ . 1]" 1
259 1 28 SER QB 1 31 MET HB2 . . 3.670 2.176 1.970 2.399 . 0 0 "[ . 1]" 1
260 1 28 SER QB 1 32 PHE H . . 4.820 3.137 2.999 3.204 . 0 0 "[ . 1]" 1
261 1 28 SER QB 1 32 PHE HB3 . . 4.780 4.363 4.293 4.437 . 0 0 "[ . 1]" 1
262 1 28 SER QB 1 34 ALA MB . . 5.340 5.374 5.358 5.385 0.045 7 0 "[ . 1]" 1
263 1 28 SER QB 1 35 LYS QB . . 3.670 3.113 2.840 3.360 . 0 0 "[ . 1]" 1
264 1 28 SER QB 1 35 LYS QD . . 4.300 3.235 2.036 3.965 . 0 0 "[ . 1]" 1
265 1 30 TYR QB 1 31 MET H . . 4.130 2.745 2.689 2.798 . 0 0 "[ . 1]" 1
266 1 31 MET H 1 32 PHE H . . 3.690 2.544 2.524 2.561 . 0 0 "[ . 1]" 1
267 1 31 MET HA 1 32 PHE HA . . 5.340 4.936 4.933 4.938 . 0 0 "[ . 1]" 1
268 1 31 MET HA 1 34 ALA H . . 4.190 3.535 3.516 3.554 . 0 0 "[ . 1]" 1
269 1 31 MET HA 1 34 ALA MB . . 3.850 3.895 3.877 3.912 0.062 10 0 "[ . 1]" 1
270 1 31 MET HB2 1 31 MET ME . . 2.940 2.248 2.010 3.067 0.127 4 0 "[ . 1]" 1
271 1 31 MET HB2 1 32 PHE H . . 3.850 3.807 3.676 3.853 0.003 9 0 "[ . 1]" 1
272 1 31 MET HB3 1 31 MET QG . . 2.310 2.195 2.159 2.445 0.135 4 0 "[ . 1]" 1
273 1 31 MET HB3 1 34 ALA H . . 4.520 4.485 4.291 4.548 0.028 9 0 "[ . 1]" 1
274 1 31 MET HB3 1 34 ALA MB . . 5.140 4.158 3.938 4.208 . 0 0 "[ . 1]" 1
275 1 31 MET HB3 1 35 LYS QE . . 4.970 3.531 2.031 4.764 . 0 0 "[ . 1]" 1
276 1 31 MET ME 1 32 PHE H . . 5.080 5.008 4.724 5.153 0.073 4 0 "[ . 1]" 1
277 1 31 MET QG 1 34 ALA MB . . 4.320 3.025 2.718 4.172 . 0 0 "[ . 1]" 1
278 1 32 PHE H 1 32 PHE HB3 . . 3.960 2.274 2.261 2.287 . 0 0 "[ . 1]" 1
279 1 32 PHE HA 1 35 LYS HA . . 5.500 4.972 4.923 5.008 . 0 0 "[ . 1]" 1
280 1 32 PHE HA 1 35 LYS QB . . 3.870 2.190 2.036 2.392 . 0 0 "[ . 1]" 1
281 1 32 PHE HB2 1 36 GLU HA . . 5.500 5.062 5.026 5.094 . 0 0 "[ . 1]" 1
282 1 32 PHE HB2 1 83 VAL MG1 . . 5.180 3.148 2.816 3.475 . 0 0 "[ . 1]" 1
283 1 32 PHE HB2 1 83 VAL QG . . 4.200 3.116 2.793 3.425 . 0 0 "[ . 1]" 1
284 1 32 PHE HB2 1 83 VAL MG2 . . 5.180 5.007 4.649 5.193 0.013 5 0 "[ . 1]" 1
285 1 32 PHE HB3 1 83 VAL QG . . 3.370 2.429 1.961 2.684 . 0 0 "[ . 1]" 1
286 1 32 PHE QD 1 83 VAL QG . . 5.150 3.774 3.296 3.981 . 0 0 "[ . 1]" 1
287 1 33 PHE H 1 34 ALA H . . 4.060 2.914 2.890 2.928 . 0 0 "[ . 1]" 1
288 1 33 PHE HB2 1 34 ALA H . . 4.610 3.750 3.690 3.808 . 0 0 "[ . 1]" 1
289 1 33 PHE HB3 1 34 ALA MB . . 3.860 3.660 3.620 3.725 . 0 0 "[ . 1]" 1
290 1 33 PHE QE 1 34 ALA MB . . 4.700 4.394 3.975 4.698 . 0 0 "[ . 1]" 1
291 1 34 ALA H 1 34 ALA MB . . 3.380 2.146 2.111 2.179 . 0 0 "[ . 1]" 1
292 1 34 ALA H 1 35 LYS H . . 3.980 2.401 2.391 2.407 . 0 0 "[ . 1]" 1
293 1 34 ALA H 1 35 LYS QD . . 5.340 4.510 3.816 5.034 . 0 0 "[ . 1]" 1
294 1 34 ALA H 1 36 GLU QB . . 4.800 4.658 4.628 4.690 . 0 0 "[ . 1]" 1
295 1 34 ALA HA 1 35 LYS HA . . 4.850 4.825 4.818 4.830 . 0 0 "[ . 1]" 1
296 1 34 ALA HA 1 35 LYS QD . . 5.340 5.205 4.900 5.379 0.039 4 0 "[ . 1]" 1
297 1 34 ALA MB 1 35 LYS H . . 3.780 2.626 2.589 2.659 . 0 0 "[ . 1]" 1
298 1 34 ALA MB 1 35 LYS HA . . 4.440 3.775 3.742 3.796 . 0 0 "[ . 1]" 1
299 1 34 ALA MB 1 35 LYS QD . . 3.580 3.251 2.968 3.442 . 0 0 "[ . 1]" 1
300 1 34 ALA MB 1 35 LYS QE . . 4.920 4.416 2.894 4.936 0.016 5 0 "[ . 1]" 1
301 1 34 ALA MB 1 36 GLU H . . 5.070 4.212 4.207 4.223 . 0 0 "[ . 1]" 1
302 1 34 ALA MB 1 37 LYS QB . . 5.250 4.680 4.604 4.754 . 0 0 "[ . 1]" 1
303 1 35 LYS H 1 35 LYS QB . . 3.370 2.294 2.070 2.505 . 0 0 "[ . 1]" 1
304 1 35 LYS H 1 35 LYS QD . . 4.560 2.722 2.062 3.132 . 0 0 "[ . 1]" 1
305 1 35 LYS H 1 35 LYS HG2 . . 5.040 3.120 2.105 4.310 . 0 0 "[ . 1]" 1
306 1 35 LYS H 1 35 LYS QG . . 4.420 2.893 2.091 3.706 . 0 0 "[ . 1]" 1
307 1 35 LYS H 1 35 LYS HG3 . . 5.040 3.878 3.609 4.201 . 0 0 "[ . 1]" 1
308 1 35 LYS H 1 36 GLU H . . 3.780 2.679 2.668 2.690 . 0 0 "[ . 1]" 1
309 1 35 LYS H 1 37 LYS H . . 4.480 4.364 4.355 4.376 . 0 0 "[ . 1]" 1
310 1 35 LYS HA 1 35 LYS QD . . 3.620 2.243 1.982 2.809 . 0 0 "[ . 1]" 1
311 1 35 LYS HA 1 35 LYS QG . . 3.470 2.700 2.205 3.014 . 0 0 "[ . 1]" 1
312 1 35 LYS HA 1 36 GLU QB . . 5.340 5.096 5.093 5.101 . 0 0 "[ . 1]" 1
313 1 35 LYS HA 1 37 LYS QB . . 5.340 5.100 5.038 5.130 . 0 0 "[ . 1]" 1
314 1 35 LYS HA 1 38 ARG HA . . 4.770 4.808 4.791 4.824 0.054 2 0 "[ . 1]" 1
315 1 35 LYS HA 1 38 ARG HB2 . . 4.120 3.379 3.311 3.512 . 0 0 "[ . 1]" 1
316 1 35 LYS HA 1 38 ARG HB3 . . 4.990 4.778 4.746 4.814 . 0 0 "[ . 1]" 1
317 1 35 LYS QB 1 35 LYS QD . . 3.260 2.470 2.204 2.834 . 0 0 "[ . 1]" 1
318 1 35 LYS QB 1 36 GLU H . . 3.550 3.021 2.988 3.059 . 0 0 "[ . 1]" 1
319 1 35 LYS QB 1 36 GLU HA . . 4.310 3.937 3.891 3.969 . 0 0 "[ . 1]" 1
320 1 35 LYS QB 1 38 ARG QD . . 5.180 3.951 3.651 4.387 . 0 0 "[ . 1]" 1
321 1 36 GLU H 1 36 GLU QB . . 2.990 2.239 2.231 2.247 . 0 0 "[ . 1]" 1
322 1 36 GLU H 1 37 LYS H . . 3.570 2.683 2.679 2.689 . 0 0 "[ . 1]" 1
323 1 36 GLU H 1 38 ARG H . . 4.480 4.109 4.104 4.112 . 0 0 "[ . 1]" 1
324 1 36 GLU HA 1 36 GLU QG . . 2.980 2.489 2.384 2.544 . 0 0 "[ . 1]" 1
325 1 36 GLU HA 1 38 ARG H . . 4.130 3.563 3.521 3.580 . 0 0 "[ . 1]" 1
326 1 36 GLU QB 1 37 LYS H . . 3.370 2.965 2.944 2.986 . 0 0 "[ . 1]" 1
327 1 37 LYS H 1 37 LYS QD . . 5.040 3.468 3.204 4.230 . 0 0 "[ . 1]" 1
328 1 37 LYS H 1 37 LYS QE . . 5.220 4.346 3.188 4.931 . 0 0 "[ . 1]" 1
329 1 37 LYS H 1 38 ARG H . . 3.810 2.492 2.475 2.529 . 0 0 "[ . 1]" 1
330 1 37 LYS HA 1 37 LYS QD . . 4.460 4.272 4.230 4.438 . 0 0 "[ . 1]" 1
331 1 37 LYS HA 1 38 ARG HA . . 4.960 4.896 4.891 4.905 . 0 0 "[ . 1]" 1
332 1 37 LYS QB 1 37 LYS QD . . 2.670 2.065 1.987 2.283 . 0 0 "[ . 1]" 1
333 1 37 LYS QE 1 37 LYS QG . . 2.960 2.140 1.959 2.468 . 0 0 "[ . 1]" 1
334 1 37 LYS QE 1 38 ARG H . . 5.340 5.097 4.546 5.359 0.019 8 0 "[ . 1]" 1
335 1 37 LYS QG 1 38 ARG H . . 3.670 2.764 2.721 2.888 . 0 0 "[ . 1]" 1
336 1 37 LYS QG 1 38 ARG HA . . 4.090 3.327 3.238 3.359 . 0 0 "[ . 1]" 1
337 1 38 ARG H 1 38 ARG HB2 . . 3.630 2.410 2.385 2.479 . 0 0 "[ . 1]" 1
338 1 38 ARG H 1 38 ARG QG . . 4.930 3.954 3.944 3.972 . 0 0 "[ . 1]" 1
339 1 38 ARG H 1 39 VAL H . . 3.830 2.776 2.761 2.790 . 0 0 "[ . 1]" 1
340 1 38 ARG H 1 39 VAL MG2 . . 4.720 4.132 4.052 4.191 . 0 0 "[ . 1]" 1
341 1 38 ARG H 1 40 GLU H . . 5.260 4.263 4.184 4.309 . 0 0 "[ . 1]" 1
342 1 38 ARG HA 1 38 ARG QD . . 5.000 4.077 4.056 4.099 . 0 0 "[ . 1]" 1
343 1 38 ARG HA 1 38 ARG QG . . 3.710 2.449 2.410 2.504 . 0 0 "[ . 1]" 1
344 1 38 ARG HA 1 41 ILE MD . . 5.500 5.537 5.526 5.567 0.067 2 0 "[ . 1]" 1
345 1 38 ARG HA 1 41 ILE QG . . 4.990 4.005 3.972 4.083 . 0 0 "[ . 1]" 1
346 1 38 ARG HA 1 41 ILE MG . . 3.330 2.670 2.556 2.818 . 0 0 "[ . 1]" 1
347 1 38 ARG HB2 1 38 ARG QD . . 3.590 2.444 2.321 2.658 . 0 0 "[ . 1]" 1
348 1 38 ARG HB2 1 38 ARG QG . . 2.600 2.302 2.229 2.360 . 0 0 "[ . 1]" 1
349 1 38 ARG HB2 1 41 ILE MG . . 4.160 4.151 3.988 4.200 0.040 2 0 "[ . 1]" 1
350 1 38 ARG HB3 1 38 ARG QD . . 3.040 2.305 2.059 2.390 . 0 0 "[ . 1]" 1
351 1 38 ARG HB3 1 38 ARG QG . . 2.520 2.382 2.325 2.454 . 0 0 "[ . 1]" 1
352 1 38 ARG HB3 1 39 VAL HA . . 4.250 4.190 4.153 4.259 0.009 2 0 "[ . 1]" 1
353 1 38 ARG HB3 1 39 VAL MG2 . . 4.410 3.588 3.477 3.693 . 0 0 "[ . 1]" 1
354 1 38 ARG QD 1 39 VAL H . . 5.340 4.712 4.462 4.959 . 0 0 "[ . 1]" 1
355 1 38 ARG QD 1 39 VAL MG2 . . 5.340 4.578 4.335 4.866 . 0 0 "[ . 1]" 1
356 1 38 ARG QD 1 41 ILE MG . . 4.260 4.066 3.895 4.204 . 0 0 "[ . 1]" 1
357 1 38 ARG QD 1 90 ALA MB . . 3.900 3.880 3.762 3.933 0.033 6 0 "[ . 1]" 1
358 1 38 ARG QG 1 39 VAL H . . 4.170 3.941 3.819 4.012 . 0 0 "[ . 1]" 1
359 1 38 ARG QG 1 41 ILE H . . 4.020 3.929 3.803 4.042 0.022 5 0 "[ . 1]" 1
360 1 38 ARG QG 1 41 ILE MD . . 3.870 3.676 3.496 3.859 . 0 0 "[ . 1]" 1
361 1 38 ARG QG 1 41 ILE QG . . 3.290 2.373 2.242 2.506 . 0 0 "[ . 1]" 1
362 1 39 VAL H 1 39 VAL HB . . 3.300 2.580 2.558 2.607 . 0 0 "[ . 1]" 1
363 1 39 VAL H 1 39 VAL MG1 . . 4.180 3.764 3.763 3.765 . 0 0 "[ . 1]" 1
364 1 39 VAL H 1 39 VAL MG2 . . 3.230 2.222 2.181 2.253 . 0 0 "[ . 1]" 1
365 1 39 VAL H 1 40 GLU H . . 3.580 2.715 2.692 2.747 . 0 0 "[ . 1]" 1
366 1 39 VAL HA 1 39 VAL MG1 . . 3.350 2.309 2.287 2.326 . 0 0 "[ . 1]" 1
367 1 39 VAL HA 1 39 VAL MG2 . . 3.260 2.288 2.264 2.319 . 0 0 "[ . 1]" 1
368 1 39 VAL HA 1 90 ALA MB . . 4.160 2.679 2.588 2.809 . 0 0 "[ . 1]" 1
369 1 39 VAL HB 1 40 GLU H . . 3.260 3.087 3.028 3.134 . 0 0 "[ . 1]" 1
370 1 39 VAL HB 1 90 ALA H . . 5.500 5.467 5.317 5.520 0.020 7 0 "[ . 1]" 1
371 1 39 VAL HB 1 90 ALA HA . . 4.020 4.002 3.917 4.052 0.032 5 0 "[ . 1]" 1
372 1 39 VAL HB 1 93 ALA MB . . 4.100 4.044 3.899 4.107 0.007 6 0 "[ . 1]" 1
373 1 39 VAL MG1 1 40 GLU HA . . 3.890 3.784 3.761 3.829 . 0 0 "[ . 1]" 1
374 1 39 VAL MG1 1 89 LYS HA . . 5.500 4.654 4.476 4.845 . 0 0 "[ . 1]" 1
375 1 39 VAL MG1 1 90 ALA HA . . 5.030 2.004 1.969 2.055 . 0 0 "[ . 1]" 1
376 1 39 VAL MG1 1 92 TYR H . . 4.560 4.581 4.563 4.594 0.034 3 0 "[ . 1]" 1
377 1 39 VAL MG1 1 93 ALA H . . 3.480 3.259 3.141 3.340 . 0 0 "[ . 1]" 1
378 1 39 VAL MG1 1 93 ALA HA . . 4.200 4.212 4.182 4.227 0.027 2 0 "[ . 1]" 1
379 1 39 VAL MG1 1 93 ALA MB . . 3.380 1.861 1.840 1.881 . 0 0 "[ . 1]" 1
380 1 39 VAL MG1 1 94 GLN HG3 . . 5.500 4.712 4.579 4.915 . 0 0 "[ . 1]" 1
381 1 39 VAL MG2 1 89 LYS HA . . 5.090 4.106 3.881 4.317 . 0 0 "[ . 1]" 1
382 1 39 VAL MG2 1 89 LYS QB . . 3.850 2.086 1.915 2.240 . 0 0 "[ . 1]" 1
383 1 39 VAL MG2 1 90 ALA H . . 4.010 2.586 2.455 2.644 . 0 0 "[ . 1]" 1
384 1 39 VAL MG2 1 90 ALA HA . . 3.930 2.127 2.020 2.212 . 0 0 "[ . 1]" 1
385 1 39 VAL MG2 1 90 ALA MB . . 4.350 2.060 1.948 2.257 . 0 0 "[ . 1]" 1
386 1 40 GLU H 1 40 GLU HG2 . . 5.330 4.523 4.097 4.667 . 0 0 "[ . 1]" 1
387 1 40 GLU H 1 40 GLU QG . . 4.520 3.963 3.767 4.060 . 0 0 "[ . 1]" 1
388 1 40 GLU H 1 40 GLU HG3 . . 5.330 4.398 4.201 4.558 . 0 0 "[ . 1]" 1
389 1 40 GLU H 1 41 ILE H . . 3.650 2.584 2.513 2.649 . 0 0 "[ . 1]" 1
390 1 40 GLU H 1 41 ILE MG . . 3.940 3.821 3.735 3.933 . 0 0 "[ . 1]" 1
391 1 40 GLU HA 1 40 GLU HG2 . . 3.500 3.274 2.204 3.614 0.114 5 0 "[ . 1]" 1
392 1 40 GLU HA 1 40 GLU QG . . 3.050 2.477 2.135 3.066 0.016 5 0 "[ . 1]" 1
393 1 40 GLU HA 1 40 GLU HG3 . . 3.500 2.701 2.156 3.517 0.017 3 0 "[ . 1]" 1
394 1 40 GLU HB3 1 40 GLU QG . . 2.420 2.216 2.136 2.437 0.017 3 0 "[ . 1]" 1
395 1 40 GLU HB3 1 41 ILE HA . . 4.250 4.057 3.942 4.201 . 0 0 "[ . 1]" 1
396 1 40 GLU HB3 1 41 ILE MG . . 3.880 3.519 3.469 3.665 . 0 0 "[ . 1]" 1
397 1 40 GLU HB3 1 42 ILE H . . 5.100 4.885 4.834 4.958 . 0 0 "[ . 1]" 1
398 1 40 GLU QG 1 41 ILE H . . 4.780 4.285 4.073 4.650 . 0 0 "[ . 1]" 1
399 1 40 GLU HG2 1 41 ILE H . . 5.500 4.928 4.376 5.391 . 0 0 "[ . 1]" 1
400 1 40 GLU HG3 1 41 ILE H . . 5.500 4.810 4.249 5.428 . 0 0 "[ . 1]" 1
401 1 41 ILE H 1 41 ILE MD . . 4.060 3.967 3.948 3.979 . 0 0 "[ . 1]" 1
402 1 41 ILE H 1 41 ILE HG12 . . 4.840 3.133 2.925 3.240 . 0 0 "[ . 1]" 1
403 1 41 ILE H 1 41 ILE QG . . 4.250 2.402 2.350 2.428 . 0 0 "[ . 1]" 1
404 1 41 ILE H 1 41 ILE HG13 . . 4.840 2.497 2.472 2.519 . 0 0 "[ . 1]" 1
405 1 41 ILE H 1 41 ILE MG . . 3.470 2.062 1.995 2.155 . 0 0 "[ . 1]" 1
406 1 41 ILE H 1 42 ILE H . . 3.260 2.712 2.668 2.751 . 0 0 "[ . 1]" 1
407 1 41 ILE HA 1 41 ILE MD . . 3.920 3.731 3.667 3.843 . 0 0 "[ . 1]" 1
408 1 41 ILE HA 1 41 ILE MG . . 3.080 2.401 2.374 2.431 . 0 0 "[ . 1]" 1
409 1 41 ILE HA 1 43 ALA MB . . 5.500 4.409 4.307 4.513 . 0 0 "[ . 1]" 1
410 1 41 ILE HA 1 44 GLU HB3 . . 3.360 2.845 2.711 3.047 . 0 0 "[ . 1]" 1
411 1 41 ILE HB 1 41 ILE MD . . 3.600 2.046 2.006 2.178 . 0 0 "[ . 1]" 1
412 1 41 ILE HB 1 44 GLU HB3 . . 3.660 3.507 3.329 3.661 0.001 9 0 "[ . 1]" 1
413 1 41 ILE MD 1 42 ILE HA . . 3.110 2.787 2.500 3.110 0.000 2 0 "[ . 1]" 1
414 1 41 ILE MD 1 44 GLU HB3 . . 4.610 4.442 4.175 4.603 . 0 0 "[ . 1]" 1
415 1 42 ILE H 1 42 ILE HB . . 3.160 2.403 2.378 2.436 . 0 0 "[ . 1]" 1
416 1 42 ILE H 1 42 ILE MD . . 4.450 4.318 4.292 4.339 . 0 0 "[ . 1]" 1
417 1 42 ILE H 1 42 ILE MG . . 3.180 2.315 2.258 2.361 . 0 0 "[ . 1]" 1
418 1 42 ILE H 1 43 ALA H . . 3.410 2.770 2.757 2.776 . 0 0 "[ . 1]" 1
419 1 42 ILE HA 1 42 ILE MD . . 3.700 3.289 3.262 3.322 . 0 0 "[ . 1]" 1
420 1 42 ILE HA 1 42 ILE QG . . 3.510 2.206 2.186 2.230 . 0 0 "[ . 1]" 1
421 1 42 ILE HA 1 42 ILE MG . . 3.440 3.197 3.195 3.200 . 0 0 "[ . 1]" 1
422 1 42 ILE HA 1 45 ASN H . . 4.700 3.794 3.696 3.911 . 0 0 "[ . 1]" 1
423 1 42 ILE HA 1 49 ALA MB . . 4.110 3.979 3.796 4.112 0.002 2 0 "[ . 1]" 1
424 1 42 ILE HA 1 94 GLN HA . . 5.260 5.241 5.091 5.308 0.048 7 0 "[ . 1]" 1
425 1 42 ILE HB 1 42 ILE MD . . 3.260 3.165 3.163 3.169 . 0 0 "[ . 1]" 1
426 1 42 ILE HB 1 43 ALA H . . 4.210 3.967 3.941 4.008 . 0 0 "[ . 1]" 1
427 1 42 ILE HB 1 49 ALA HA . . 5.360 5.042 4.879 5.302 . 0 0 "[ . 1]" 1
428 1 42 ILE HB 1 49 ALA MB . . 5.140 5.094 4.997 5.147 0.007 9 0 "[ . 1]" 1
429 1 42 ILE HB 1 94 GLN HG2 . . 4.570 2.918 2.877 2.974 . 0 0 "[ . 1]" 1
430 1 42 ILE HB 1 94 GLN HG3 . . 4.400 4.414 4.405 4.421 0.021 3 0 "[ . 1]" 1
431 1 42 ILE MD 1 42 ILE MG . . 2.680 1.812 1.810 1.813 . 0 0 "[ . 1]" 1
432 1 42 ILE MD 1 49 ALA H . . 4.600 4.595 4.462 4.626 0.026 6 0 "[ . 1]" 1
433 1 42 ILE MD 1 49 ALA HA . . 3.360 2.667 2.406 2.851 . 0 0 "[ . 1]" 1
434 1 42 ILE MD 1 49 ALA MB . . 2.920 2.073 1.894 2.198 . 0 0 "[ . 1]" 1
435 1 42 ILE MD 1 51 ASP H . . 5.500 5.504 5.484 5.525 0.025 10 0 "[ . 1]" 1
436 1 42 ILE MD 1 94 GLN HA . . 4.650 2.715 2.583 3.030 . 0 0 "[ . 1]" 1
437 1 42 ILE MD 1 94 GLN HG3 . . 5.490 5.121 5.050 5.315 . 0 0 "[ . 1]" 1
438 1 42 ILE MD 1 97 VAL HA . . 4.450 4.042 3.316 4.454 0.004 9 0 "[ . 1]" 1
439 1 42 ILE MD 1 97 VAL HB . . 2.820 2.048 1.918 2.163 . 0 0 "[ . 1]" 1
440 1 42 ILE MD 1 97 VAL MG1 . . 4.310 2.491 1.818 2.961 . 0 0 "[ . 1]" 1
441 1 42 ILE MD 1 97 VAL QG . . 3.760 1.904 1.758 2.066 . 0 0 "[ . 1]" 1
442 1 42 ILE MD 1 97 VAL MG2 . . 4.310 2.151 1.865 3.484 . 0 0 "[ . 1]" 1
443 1 42 ILE QG 1 42 ILE MG . . 3.330 2.513 2.508 2.515 . 0 0 "[ . 1]" 1
444 1 42 ILE QG 1 49 ALA MB . . 4.360 2.903 2.786 3.015 . 0 0 "[ . 1]" 1
445 1 42 ILE QG 1 94 GLN HG2 . . 4.970 2.079 1.950 2.442 . 0 0 "[ . 1]" 1
446 1 42 ILE QG 1 94 GLN HG3 . . 5.340 3.590 3.525 3.747 . 0 0 "[ . 1]" 1
447 1 42 ILE QG 1 97 VAL HB . . 4.630 3.587 3.340 3.860 . 0 0 "[ . 1]" 1
448 1 42 ILE QG 1 97 VAL QG . . 3.830 3.404 2.825 3.827 . 0 0 "[ . 1]" 1
449 1 42 ILE MG 1 43 ALA H . . 3.560 2.262 2.247 2.281 . 0 0 "[ . 1]" 1
450 1 42 ILE MG 1 43 ALA HA . . 3.590 3.146 3.102 3.201 . 0 0 "[ . 1]" 1
451 1 42 ILE MG 1 43 ALA MB . . 2.860 2.792 2.693 2.852 . 0 0 "[ . 1]" 1
452 1 42 ILE MG 1 44 GLU H . . 4.900 4.340 4.266 4.419 . 0 0 "[ . 1]" 1
453 1 42 ILE MG 1 45 ASN H . . 5.330 4.927 4.898 4.971 . 0 0 "[ . 1]" 1
454 1 42 ILE MG 1 94 GLN H . . 5.500 5.039 4.879 5.212 . 0 0 "[ . 1]" 1
455 1 42 ILE MG 1 94 GLN HG2 . . 5.470 3.958 3.846 4.150 . 0 0 "[ . 1]" 1
456 1 42 ILE MG 1 97 VAL HB . . 4.520 4.018 3.298 4.451 . 0 0 "[ . 1]" 1
457 1 42 ILE MG 1 97 VAL QG . . 3.560 3.116 2.607 3.343 . 0 0 "[ . 1]" 1
458 1 43 ALA H 1 43 ALA MB . . 2.990 2.208 2.084 2.272 . 0 0 "[ . 1]" 1
459 1 43 ALA H 1 44 GLU HB2 . . 5.130 4.796 4.576 5.042 . 0 0 "[ . 1]" 1
460 1 43 ALA H 1 44 GLU HB3 . . 4.800 4.681 4.523 4.781 . 0 0 "[ . 1]" 1
461 1 43 ALA H 1 97 VAL QG . . 5.330 5.178 4.741 5.333 0.003 6 0 "[ . 1]" 1
462 1 43 ALA MB 1 44 GLU H . . 3.570 2.474 2.299 2.606 . 0 0 "[ . 1]" 1
463 1 43 ALA MB 1 44 GLU HB2 . . 4.350 3.994 3.875 4.122 . 0 0 "[ . 1]" 1
464 1 43 ALA MB 1 46 PRO HD3 . . 5.500 4.927 4.821 5.020 . 0 0 "[ . 1]" 1
465 1 44 GLU H 1 44 GLU HB2 . . 3.120 2.466 2.332 2.648 . 0 0 "[ . 1]" 1
466 1 44 GLU H 1 44 GLU QG . . 4.360 3.986 3.949 4.061 . 0 0 "[ . 1]" 1
467 1 44 GLU H 1 45 ASN H . . 3.420 2.655 2.585 2.691 . 0 0 "[ . 1]" 1
468 1 44 GLU HA 1 44 GLU QG . . 3.200 2.543 2.295 3.047 . 0 0 "[ . 1]" 1
469 1 44 GLU HB2 1 45 ASN H . . 4.360 4.046 3.962 4.148 . 0 0 "[ . 1]" 1
470 1 44 GLU HB3 1 44 GLU QG . . 2.350 2.244 2.150 2.349 . 0 0 "[ . 1]" 1
471 1 44 GLU QG 1 45 ASN H . . 4.670 3.981 3.747 4.180 . 0 0 "[ . 1]" 1
472 1 45 ASN H 1 45 ASN HB3 . . 3.790 3.383 3.078 3.499 . 0 0 "[ . 1]" 1
473 1 45 ASN H 1 46 PRO HD3 . . 4.940 3.391 3.313 3.476 . 0 0 "[ . 1]" 1
474 1 45 ASN HA 1 47 GLU H . . 5.090 3.116 3.094 3.151 . 0 0 "[ . 1]" 1
475 1 45 ASN HB3 1 45 ASN QD . . 3.290 2.181 2.101 2.514 . 0 0 "[ . 1]" 1
476 1 45 ASN HB3 1 45 ASN HD22 . . 3.910 3.471 3.436 3.617 . 0 0 "[ . 1]" 1
477 1 45 ASN HB3 1 47 GLU QB . . 4.430 3.990 3.824 4.309 . 0 0 "[ . 1]" 1
478 1 45 ASN HB3 1 48 ILE H . . 5.160 3.355 3.269 3.568 . 0 0 "[ . 1]" 1
479 1 45 ASN HB3 1 48 ILE MD . . 3.410 1.979 1.964 2.007 . 0 0 "[ . 1]" 1
480 1 45 ASN HB3 1 48 ILE HG12 . . 4.720 4.661 4.632 4.677 . 0 0 "[ . 1]" 1
481 1 45 ASN HB3 1 48 ILE MG . . 3.730 3.699 3.615 3.799 0.069 8 0 "[ . 1]" 1
482 1 45 ASN HB3 1 49 ALA MB . . 5.470 4.721 4.376 4.821 . 0 0 "[ . 1]" 1
483 1 45 ASN QD 1 47 GLU H . . 4.100 3.623 2.009 4.113 0.013 6 0 "[ . 1]" 1
484 1 45 ASN QD 1 47 GLU QB . . 4.250 2.856 1.953 3.233 . 0 0 "[ . 1]" 1
485 1 45 ASN QD 1 48 ILE MD . . 3.590 2.442 1.878 2.690 . 0 0 "[ . 1]" 1
486 1 45 ASN QD 1 48 ILE MG . . 3.710 2.892 2.282 3.127 . 0 0 "[ . 1]" 1
487 1 45 ASN HD21 1 48 ILE MG . . 4.240 2.984 2.392 3.216 . 0 0 "[ . 1]" 1
488 1 45 ASN HD22 1 48 ILE MG . . 4.240 4.022 2.880 4.263 0.023 5 0 "[ . 1]" 1
489 1 46 PRO HA 1 49 ALA MB . . 4.450 1.863 1.848 1.885 . 0 0 "[ . 1]" 1
490 1 46 PRO QB 1 47 GLU H . . 4.070 3.588 3.583 3.598 . 0 0 "[ . 1]" 1
491 1 46 PRO QB 1 49 ALA MB . . 3.820 3.180 3.158 3.205 . 0 0 "[ . 1]" 1
492 1 47 GLU H 1 47 GLU HB2 . . 3.480 2.331 2.231 2.546 . 0 0 "[ . 1]" 1
493 1 47 GLU H 1 47 GLU QB . . 2.950 2.194 2.157 2.248 . 0 0 "[ . 1]" 1
494 1 47 GLU H 1 47 GLU HB3 . . 3.480 2.743 2.501 2.863 . 0 0 "[ . 1]" 1
495 1 47 GLU H 1 48 ILE H . . 3.630 2.798 2.780 2.809 . 0 0 "[ . 1]" 1
496 1 47 GLU H 1 48 ILE MD . . 4.030 3.518 3.496 3.536 . 0 0 "[ . 1]" 1
497 1 47 GLU H 1 48 ILE MG . . 5.000 4.240 4.165 4.307 . 0 0 "[ . 1]" 1
498 1 47 GLU H 1 49 ALA H . . 4.590 3.584 3.569 3.602 . 0 0 "[ . 1]" 1
499 1 47 GLU H 1 49 ALA MB . . 4.820 4.082 4.048 4.102 . 0 0 "[ . 1]" 1
500 1 47 GLU HA 1 47 GLU QB . . 2.570 2.429 2.346 2.469 . 0 0 "[ . 1]" 1
501 1 47 GLU HA 1 47 GLU QG . . 3.540 2.734 2.476 3.028 . 0 0 "[ . 1]" 1
502 1 47 GLU HA 1 48 ILE MD . . 4.980 4.772 4.760 4.783 . 0 0 "[ . 1]" 1
503 1 47 GLU QB 1 48 ILE H . . 3.320 2.288 2.267 2.320 . 0 0 "[ . 1]" 1
504 1 47 GLU QB 1 48 ILE MD . . 3.540 3.134 3.071 3.180 . 0 0 "[ . 1]" 1
505 1 47 GLU QB 1 48 ILE MG . . 3.250 2.459 2.324 2.679 . 0 0 "[ . 1]" 1
506 1 47 GLU QG 1 48 ILE H . . 5.340 3.682 3.313 3.855 . 0 0 "[ . 1]" 1
507 1 47 GLU QG 1 48 ILE HA . . 4.790 4.112 3.675 4.329 . 0 0 "[ . 1]" 1
508 1 47 GLU QG 1 49 ALA H . . 5.340 5.164 4.903 5.320 . 0 0 "[ . 1]" 1
509 1 48 ILE H 1 48 ILE MD . . 3.800 1.816 1.807 1.822 . 0 0 "[ . 1]" 1
510 1 48 ILE H 1 48 ILE HG12 . . 4.210 3.688 3.672 3.709 . 0 0 "[ . 1]" 1
511 1 48 ILE H 1 48 ILE MG . . 3.390 2.222 2.088 2.333 . 0 0 "[ . 1]" 1
512 1 48 ILE H 1 49 ALA H . . 3.310 2.371 2.337 2.395 . 0 0 "[ . 1]" 1
513 1 48 ILE HA 1 48 ILE MD . . 3.690 3.462 3.436 3.472 . 0 0 "[ . 1]" 1
514 1 48 ILE HA 1 48 ILE HG12 . . 3.600 3.592 3.587 3.600 0.000 3 0 "[ . 1]" 1
515 1 48 ILE HA 1 48 ILE MG . . 3.320 2.541 2.518 2.570 . 0 0 "[ . 1]" 1
516 1 48 ILE HA 1 50 LYS H . . 4.860 3.593 3.252 4.163 . 0 0 "[ . 1]" 1
517 1 48 ILE HA 1 51 ASP QB . . 4.780 2.851 2.065 4.041 . 0 0 "[ . 1]" 1
518 1 48 ILE HB 1 48 ILE MD . . 3.280 3.226 3.225 3.229 . 0 0 "[ . 1]" 1
519 1 48 ILE HB 1 49 ALA H . . 4.920 4.508 4.505 4.511 . 0 0 "[ . 1]" 1
520 1 48 ILE MD 1 48 ILE MG . . 2.520 1.902 1.875 1.954 . 0 0 "[ . 1]" 1
521 1 48 ILE MD 1 49 ALA H . . 4.360 2.388 2.317 2.408 . 0 0 "[ . 1]" 1
522 1 48 ILE MD 1 49 ALA HA . . 3.250 2.911 2.846 3.018 . 0 0 "[ . 1]" 1
523 1 48 ILE MD 1 51 ASP H . . 5.270 4.761 4.662 4.996 . 0 0 "[ . 1]" 1
524 1 48 ILE MD 1 51 ASP QB . . 5.340 4.314 4.117 4.700 . 0 0 "[ . 1]" 1
525 1 48 ILE HG12 1 48 ILE MG . . 3.240 3.193 3.188 3.199 . 0 0 "[ . 1]" 1
526 1 48 ILE HG12 1 49 ALA H . . 5.010 3.850 3.828 3.873 . 0 0 "[ . 1]" 1
527 1 48 ILE HG12 1 51 ASP H . . 4.690 4.155 3.966 4.663 . 0 0 "[ . 1]" 1
528 1 48 ILE HG12 1 51 ASP QB . . 4.040 3.290 3.062 3.768 . 0 0 "[ . 1]" 1
529 1 48 ILE MG 1 49 ALA H . . 4.780 3.985 3.958 4.012 . 0 0 "[ . 1]" 1
530 1 48 ILE MG 1 51 ASP HB2 . . 5.500 4.204 3.601 5.271 . 0 0 "[ . 1]" 1
531 1 48 ILE MG 1 51 ASP QB . . 4.740 3.894 3.463 4.578 . 0 0 "[ . 1]" 1
532 1 48 ILE MG 1 51 ASP HB3 . . 5.500 4.812 4.106 5.502 0.002 7 0 "[ . 1]" 1
533 1 49 ALA H 1 49 ALA MB . . 3.040 2.138 2.099 2.222 . 0 0 "[ . 1]" 1
534 1 49 ALA H 1 50 LYS H . . 3.660 2.782 2.572 2.977 . 0 0 "[ . 1]" 1
535 1 49 ALA H 1 50 LYS QB . . 5.290 4.764 4.536 4.997 . 0 0 "[ . 1]" 1
536 1 49 ALA H 1 51 ASP H . . 4.710 4.299 4.110 4.482 . 0 0 "[ . 1]" 1
537 1 49 ALA MB 1 50 LYS H . . 3.380 2.743 2.409 2.955 . 0 0 "[ . 1]" 1
538 1 49 ALA MB 1 97 VAL H . . 5.500 5.300 4.958 5.512 0.012 6 0 "[ . 1]" 1
539 1 49 ALA MB 1 97 VAL HB . . 4.440 3.482 2.802 4.444 0.004 1 0 "[ . 1]" 1
540 1 50 LYS H 1 50 LYS HB2 . . 4.100 2.434 2.312 2.723 . 0 0 "[ . 1]" 1
541 1 50 LYS H 1 50 LYS QB . . 3.530 2.358 2.285 2.480 . 0 0 "[ . 1]" 1
542 1 50 LYS H 1 50 LYS HB3 . . 4.100 3.438 2.723 3.695 . 0 0 "[ . 1]" 1
543 1 50 LYS H 1 50 LYS QD . . 4.800 4.400 3.954 4.756 . 0 0 "[ . 1]" 1
544 1 50 LYS H 1 51 ASP H . . 3.420 2.776 2.551 2.871 . 0 0 "[ . 1]" 1
545 1 50 LYS HA 1 50 LYS QE . . 5.190 4.120 3.662 4.365 . 0 0 "[ . 1]" 1
546 1 50 LYS HA 1 50 LYS QG . . 2.700 2.400 2.179 2.609 . 0 0 "[ . 1]" 1
547 1 50 LYS QB 1 50 LYS QE . . 3.590 2.766 1.999 3.571 . 0 0 "[ . 1]" 1
548 1 50 LYS QB 1 51 ASP H . . 4.100 3.791 3.782 3.808 . 0 0 "[ . 1]" 1
549 1 50 LYS QE 1 50 LYS QG . . 3.130 2.194 1.980 2.536 . 0 0 "[ . 1]" 1
550 1 51 ASP H 1 51 ASP QB . . 3.590 2.267 2.109 2.641 . 0 0 "[ . 1]" 1
551 1 51 ASP H 1 55 ILE MD . . 5.500 5.002 4.507 5.444 . 0 0 "[ . 1]" 1
552 1 51 ASP HA 1 52 VAL QG . . 4.420 3.604 3.355 3.717 . 0 0 "[ . 1]" 1
553 1 51 ASP HA 1 53 ALA MB . . 5.110 4.505 4.220 4.675 . 0 0 "[ . 1]" 1
554 1 51 ASP HA 1 54 ALA MB . . 5.460 4.183 3.944 4.634 . 0 0 "[ . 1]" 1
555 1 51 ASP HA 1 55 ILE MD . . 5.500 4.951 4.722 5.288 . 0 0 "[ . 1]" 1
556 1 51 ASP QB 1 54 ALA MB . . 3.640 2.043 1.883 2.382 . 0 0 "[ . 1]" 1
557 1 51 ASP HB2 1 54 ALA MB . . 4.450 3.015 1.923 3.489 . 0 0 "[ . 1]" 1
558 1 51 ASP HB2 1 55 ILE MD . . 5.500 5.152 4.482 5.509 0.009 3 0 "[ . 1]" 1
559 1 51 ASP HB3 1 54 ALA MB . . 4.450 2.198 1.903 3.133 . 0 0 "[ . 1]" 1
560 1 51 ASP HB3 1 55 ILE MD . . 5.500 4.370 3.883 5.517 0.017 5 0 "[ . 1]" 1
561 1 52 VAL H 1 52 VAL HB . . 3.760 2.934 2.491 3.639 . 0 0 "[ . 1]" 1
562 1 52 VAL H 1 52 VAL MG1 . . 3.800 2.143 1.948 2.477 . 0 0 "[ . 1]" 1
563 1 52 VAL H 1 52 VAL QG . . 3.140 1.967 1.844 2.108 . 0 0 "[ . 1]" 1
564 1 52 VAL H 1 52 VAL MG2 . . 3.800 3.227 1.918 3.785 . 0 0 "[ . 1]" 1
565 1 52 VAL H 1 53 ALA H . . 3.470 2.437 2.390 2.675 . 0 0 "[ . 1]" 1
566 1 52 VAL HA 1 54 ALA H . . 5.500 4.015 3.676 4.203 . 0 0 "[ . 1]" 1
567 1 52 VAL HA 1 54 ALA MB . . 5.010 4.454 4.188 4.599 . 0 0 "[ . 1]" 1
568 1 52 VAL HA 1 55 ILE H . . 4.020 3.926 3.751 4.015 . 0 0 "[ . 1]" 1
569 1 52 VAL HA 1 55 ILE MD . . 3.270 2.048 1.979 2.147 . 0 0 "[ . 1]" 1
570 1 52 VAL HA 1 55 ILE HG13 . . 4.710 4.608 4.450 4.663 . 0 0 "[ . 1]" 1
571 1 52 VAL HB 1 53 ALA H . . 4.230 4.042 3.863 4.117 . 0 0 "[ . 1]" 1
572 1 52 VAL HB 1 55 ILE MD . . 4.060 3.740 3.332 3.976 . 0 0 "[ . 1]" 1
573 1 52 VAL QG 1 53 ALA H . . 3.610 2.204 2.024 2.436 . 0 0 "[ . 1]" 1
574 1 52 VAL QG 1 53 ALA HA . . 4.100 3.236 3.118 3.485 . 0 0 "[ . 1]" 1
575 1 52 VAL QG 1 53 ALA MB . . 3.640 2.936 2.886 3.053 . 0 0 "[ . 1]" 1
576 1 52 VAL MG1 1 53 ALA H . . 4.170 2.746 2.032 4.038 . 0 0 "[ . 1]" 1
577 1 52 VAL MG2 1 53 ALA H . . 4.170 3.365 2.149 3.933 . 0 0 "[ . 1]" 1
578 1 53 ALA H 1 53 ALA MB . . 3.090 2.187 2.074 2.290 . 0 0 "[ . 1]" 1
579 1 53 ALA H 1 54 ALA H . . 3.300 2.421 2.328 2.614 . 0 0 "[ . 1]" 1
580 1 53 ALA HA 1 55 ILE H . . 4.130 3.716 3.597 4.105 . 0 0 "[ . 1]" 1
581 1 53 ALA HA 1 55 ILE MD . . 4.430 4.157 4.039 4.395 . 0 0 "[ . 1]" 1
582 1 54 ALA H 1 54 ALA MB . . 2.850 2.199 2.131 2.229 . 0 0 "[ . 1]" 1
583 1 54 ALA H 1 55 ILE H . . 3.230 2.689 2.633 2.752 . 0 0 "[ . 1]" 1
584 1 54 ALA H 1 55 ILE MD . . 3.850 3.223 3.115 3.375 . 0 0 "[ . 1]" 1
585 1 54 ALA HA 1 55 ILE MD . . 4.950 4.710 4.536 4.908 . 0 0 "[ . 1]" 1
586 1 54 ALA HA 1 57 LYS H . . 4.060 3.332 3.210 3.563 . 0 0 "[ . 1]" 1
587 1 54 ALA HA 1 57 LYS QB . . 3.790 3.011 2.365 3.701 . 0 0 "[ . 1]" 1
588 1 54 ALA HA 1 57 LYS QD . . 4.700 3.449 1.984 4.597 . 0 0 "[ . 1]" 1
589 1 54 ALA HA 1 57 LYS QE . . 4.050 3.347 2.045 4.051 0.001 4 0 "[ . 1]" 1
590 1 54 ALA HA 1 58 MET H . . 4.290 4.019 3.865 4.120 . 0 0 "[ . 1]" 1
591 1 54 ALA MB 1 55 ILE H . . 3.460 2.854 2.678 2.945 . 0 0 "[ . 1]" 1
592 1 54 ALA MB 1 55 ILE HA . . 5.200 3.894 3.833 3.925 . 0 0 "[ . 1]" 1
593 1 54 ALA MB 1 55 ILE HB . . 5.500 4.863 4.773 4.927 . 0 0 "[ . 1]" 1
594 1 54 ALA MB 1 55 ILE HG13 . . 4.270 3.654 3.418 3.753 . 0 0 "[ . 1]" 1
595 1 54 ALA MB 1 56 GLY H . . 4.620 4.522 4.364 4.657 0.037 10 0 "[ . 1]" 1
596 1 55 ILE H 1 55 ILE HB . . 3.030 2.515 2.482 2.538 . 0 0 "[ . 1]" 1
597 1 55 ILE H 1 55 ILE MD . . 3.160 1.956 1.910 2.062 . 0 0 "[ . 1]" 1
598 1 55 ILE H 1 55 ILE HG13 . . 4.860 2.852 2.645 2.995 . 0 0 "[ . 1]" 1
599 1 55 ILE H 1 58 MET HB3 . . 4.870 4.865 4.736 4.973 0.103 10 0 "[ . 1]" 1
600 1 55 ILE HA 1 55 ILE MD . . 4.150 3.486 3.404 3.577 . 0 0 "[ . 1]" 1
601 1 55 ILE HA 1 55 ILE HG13 . . 3.530 2.336 2.306 2.348 . 0 0 "[ . 1]" 1
602 1 55 ILE HA 1 55 ILE MG . . 3.100 2.366 2.303 2.398 . 0 0 "[ . 1]" 1
603 1 55 ILE HA 1 58 MET HB2 . . 4.430 4.265 4.153 4.429 . 0 0 "[ . 1]" 1
604 1 55 ILE HA 1 58 MET HB3 . . 4.050 2.778 2.700 2.914 . 0 0 "[ . 1]" 1
605 1 55 ILE HA 1 58 MET QG . . 4.290 3.492 3.347 3.714 . 0 0 "[ . 1]" 1
606 1 55 ILE HB 1 55 ILE MD . . 2.720 2.168 2.129 2.196 . 0 0 "[ . 1]" 1
607 1 55 ILE HB 1 56 GLY H . . 3.680 2.895 2.714 3.005 . 0 0 "[ . 1]" 1
608 1 55 ILE MD 1 56 GLY H . . 4.510 3.845 3.737 3.984 . 0 0 "[ . 1]" 1
609 1 55 ILE MG 1 56 GLY H . . 3.750 3.651 3.538 3.726 . 0 0 "[ . 1]" 1
610 1 55 ILE MG 1 57 LYS H . . 5.280 5.097 5.021 5.159 . 0 0 "[ . 1]" 1
611 1 55 ILE MG 1 58 MET QG . . 4.300 3.656 3.540 3.812 . 0 0 "[ . 1]" 1
612 1 56 GLY H 1 57 LYS H . . 3.570 2.383 2.371 2.391 . 0 0 "[ . 1]" 1
613 1 56 GLY QA 1 57 LYS QB . . 4.990 4.369 4.185 4.537 . 0 0 "[ . 1]" 1
614 1 57 LYS H 1 57 LYS QB . . 2.990 2.312 2.164 2.486 . 0 0 "[ . 1]" 1
615 1 57 LYS H 1 57 LYS QE . . 5.340 4.225 3.432 4.866 . 0 0 "[ . 1]" 1
616 1 57 LYS H 1 57 LYS HG2 . . 4.790 3.643 2.263 4.513 . 0 0 "[ . 1]" 1
617 1 57 LYS H 1 57 LYS QG . . 4.160 2.981 2.242 3.976 . 0 0 "[ . 1]" 1
618 1 57 LYS H 1 57 LYS HG3 . . 4.790 3.518 2.743 4.449 . 0 0 "[ . 1]" 1
619 1 57 LYS HA 1 57 LYS QE . . 4.610 4.415 4.278 4.570 . 0 0 "[ . 1]" 1
620 1 57 LYS HA 1 57 LYS QG . . 3.270 2.610 2.131 3.328 0.058 4 0 "[ . 1]" 1
621 1 57 LYS HA 1 58 MET H . . 3.500 3.438 3.426 3.449 . 0 0 "[ . 1]" 1
622 1 57 LYS QE 1 57 LYS QG . . 3.090 2.372 2.035 2.700 . 0 0 "[ . 1]" 1
623 1 57 LYS QG 1 58 MET H . . 5.140 3.844 2.445 4.685 . 0 0 "[ . 1]" 1
624 1 58 MET H 1 58 MET QG . . 3.720 2.691 2.661 2.765 . 0 0 "[ . 1]" 1
625 1 58 MET H 1 59 ILE H . . 3.710 2.775 2.749 2.822 . 0 0 "[ . 1]" 1
626 1 58 MET HB3 1 58 MET QG . . 2.580 2.386 2.294 2.405 . 0 0 "[ . 1]" 1
627 1 58 MET HB3 1 59 ILE H . . 5.020 3.824 3.776 3.853 . 0 0 "[ . 1]" 1
628 1 58 MET QG 1 59 ILE HA . . 4.370 3.035 2.871 3.098 . 0 0 "[ . 1]" 1
629 1 58 MET QG 1 59 ILE MD . . 3.010 2.414 2.228 2.599 . 0 0 "[ . 1]" 1
630 1 58 MET QG 1 59 ILE QG . . 4.360 2.622 2.402 2.839 . 0 0 "[ . 1]" 1
631 1 59 ILE H 1 59 ILE HB . . 3.400 2.613 2.567 2.646 . 0 0 "[ . 1]" 1
632 1 59 ILE H 1 59 ILE MD . . 3.650 3.007 2.918 3.107 . 0 0 "[ . 1]" 1
633 1 59 ILE H 1 59 ILE QG . . 4.270 1.989 1.940 2.061 . 0 0 "[ . 1]" 1
634 1 59 ILE H 1 59 ILE MG . . 3.910 3.764 3.762 3.766 . 0 0 "[ . 1]" 1
635 1 59 ILE H 1 60 GLY H . . 4.020 2.934 2.851 3.030 . 0 0 "[ . 1]" 1
636 1 59 ILE HA 1 59 ILE MD . . 2.980 2.000 1.955 2.131 . 0 0 "[ . 1]" 1
637 1 59 ILE HA 1 59 ILE MG . . 3.190 2.303 2.257 2.334 . 0 0 "[ . 1]" 1
638 1 59 ILE HA 1 62 ALA H . . 5.190 3.743 3.608 3.834 . 0 0 "[ . 1]" 1
639 1 59 ILE HA 1 62 ALA MB . . 3.500 3.022 2.695 3.208 . 0 0 "[ . 1]" 1
640 1 59 ILE HB 1 59 ILE MD . . 3.550 3.226 3.216 3.231 . 0 0 "[ . 1]" 1
641 1 59 ILE HB 1 60 GLY H . . 3.800 2.185 2.099 2.602 . 0 0 "[ . 1]" 1
642 1 59 ILE HB 1 60 GLY QA . . 4.790 3.741 3.673 3.872 . 0 0 "[ . 1]" 1
643 1 59 ILE MD 1 59 ILE MG . . 2.780 2.036 1.953 2.165 . 0 0 "[ . 1]" 1
644 1 59 ILE MD 1 62 ALA MB . . 4.090 4.047 3.886 4.095 0.005 2 0 "[ . 1]" 1
645 1 59 ILE MG 1 60 GLY H . . 4.120 3.191 3.059 3.513 . 0 0 "[ . 1]" 1
646 1 59 ILE MG 1 60 GLY QA . . 4.160 3.361 3.249 3.466 . 0 0 "[ . 1]" 1
647 1 59 ILE MG 1 61 ALA H . . 5.360 4.746 4.641 4.889 . 0 0 "[ . 1]" 1
648 1 59 ILE MG 1 62 ALA H . . 4.700 4.629 4.529 4.701 0.001 7 0 "[ . 1]" 1
649 1 59 ILE MG 1 62 ALA MB . . 3.780 3.771 3.682 3.812 0.032 3 0 "[ . 1]" 1
650 1 60 GLY H 1 61 ALA H . . 3.640 2.560 2.404 2.627 . 0 0 "[ . 1]" 1
651 1 60 GLY H 1 61 ALA MB . . 4.550 4.224 4.074 4.284 . 0 0 "[ . 1]" 1
652 1 60 GLY H 1 62 ALA MB . . 4.900 4.784 4.666 4.902 0.002 2 0 "[ . 1]" 1
653 1 60 GLY QA 1 61 ALA HA . . 4.440 4.029 4.019 4.041 . 0 0 "[ . 1]" 1
654 1 61 ALA H 1 61 ALA MB . . 3.070 2.249 2.217 2.272 . 0 0 "[ . 1]" 1
655 1 61 ALA H 1 62 ALA MB . . 5.130 4.015 3.927 4.094 . 0 0 "[ . 1]" 1
656 1 61 ALA H 1 64 ASN QD . . 5.340 5.124 4.880 5.324 . 0 0 "[ . 1]" 1
657 1 61 ALA HA 1 63 TRP H . . 4.690 4.091 3.602 4.577 . 0 0 "[ . 1]" 1
658 1 61 ALA HA 1 64 ASN H . . 3.830 3.088 2.867 3.310 . 0 0 "[ . 1]" 1
659 1 61 ALA HA 1 64 ASN QB . . 3.360 2.563 1.972 3.265 . 0 0 "[ . 1]" 1
660 1 61 ALA HA 1 64 ASN QD . . 3.990 2.975 2.677 3.416 . 0 0 "[ . 1]" 1
661 1 61 ALA MB 1 62 ALA H . . 3.280 2.992 2.927 3.031 . 0 0 "[ . 1]" 1
662 1 61 ALA MB 1 62 ALA MB . . 4.170 4.143 4.091 4.179 0.009 4 0 "[ . 1]" 1
663 1 61 ALA MB 1 64 ASN H . . 4.750 4.232 4.001 4.487 . 0 0 "[ . 1]" 1
664 1 61 ALA MB 1 64 ASN QB . . 3.880 3.566 3.262 3.897 0.017 7 0 "[ . 1]" 1
665 1 62 ALA H 1 62 ALA MB . . 3.180 2.109 2.026 2.208 . 0 0 "[ . 1]" 1
666 1 62 ALA H 1 63 TRP H . . 3.950 2.849 2.728 2.939 . 0 0 "[ . 1]" 1
667 1 62 ALA H 1 63 TRP QB . . 5.230 4.858 4.447 5.268 0.038 10 0 "[ . 1]" 1
668 1 62 ALA MB 1 63 TRP H . . 4.000 2.552 2.280 2.896 . 0 0 "[ . 1]" 1
669 1 62 ALA MB 1 63 TRP HA . . 4.000 3.781 3.678 3.902 . 0 0 "[ . 1]" 1
670 1 62 ALA MB 1 64 ASN H . . 5.500 4.393 4.091 4.802 . 0 0 "[ . 1]" 1
671 1 62 ALA MB 1 65 ALA H . . 4.900 4.645 4.427 4.868 . 0 0 "[ . 1]" 1
672 1 62 ALA MB 1 65 ALA MB . . 5.500 3.820 3.451 4.273 . 0 0 "[ . 1]" 1
673 1 63 TRP H 1 63 TRP QB . . 3.470 2.387 2.050 2.672 . 0 0 "[ . 1]" 1
674 1 63 TRP H 1 64 ASN H . . 3.700 2.497 2.338 2.718 . 0 0 "[ . 1]" 1
675 1 63 TRP HA 1 65 ALA H . . 5.240 3.612 3.462 3.745 . 0 0 "[ . 1]" 1
676 1 63 TRP QB 1 64 ASN H . . 3.680 2.994 2.563 3.672 . 0 0 "[ . 1]" 1
677 1 64 ASN H 1 64 ASN QB . . 3.190 2.383 2.176 2.565 . 0 0 "[ . 1]" 1
678 1 64 ASN H 1 64 ASN HD21 . . 5.500 3.319 2.069 4.322 . 0 0 "[ . 1]" 1
679 1 64 ASN H 1 64 ASN QD . . 4.760 3.184 2.056 4.189 . 0 0 "[ . 1]" 1
680 1 64 ASN H 1 64 ASN HD22 . . 5.500 4.316 3.523 5.626 0.126 3 0 "[ . 1]" 1
681 1 64 ASN H 1 65 ALA H . . 3.810 2.562 2.495 2.596 . 0 0 "[ . 1]" 1
682 1 64 ASN H 1 65 ALA MB . . 4.080 3.981 3.918 4.073 . 0 0 "[ . 1]" 1
683 1 64 ASN H 1 66 LEU H . . 4.830 4.720 4.447 4.792 . 0 0 "[ . 1]" 1
684 1 64 ASN HA 1 64 ASN HD22 . . 5.500 4.489 4.284 4.808 . 0 0 "[ . 1]" 1
685 1 64 ASN HA 1 66 LEU H . . 4.790 3.701 3.357 3.826 . 0 0 "[ . 1]" 1
686 1 64 ASN QB 1 65 ALA H . . 4.030 3.573 3.360 3.611 . 0 0 "[ . 1]" 1
687 1 64 ASN QB 1 65 ALA MB . . 4.900 4.531 4.417 4.561 . 0 0 "[ . 1]" 1
688 1 65 ALA H 1 65 ALA MB . . 3.020 2.171 2.049 2.244 . 0 0 "[ . 1]" 1
689 1 65 ALA H 1 66 LEU H . . 3.540 2.510 2.493 2.521 . 0 0 "[ . 1]" 1
690 1 65 ALA MB 1 66 LEU H . . 3.370 2.765 2.635 2.968 . 0 0 "[ . 1]" 1
691 1 65 ALA MB 1 66 LEU MD2 . . 3.240 2.428 2.242 2.673 . 0 0 "[ . 1]" 1
692 1 66 LEU H 1 67 SER H . . 4.710 4.534 4.498 4.574 . 0 0 "[ . 1]" 1
693 1 66 LEU H 1 77 MET QB . . 4.270 4.326 4.290 4.383 0.113 7 0 "[ . 1]" 1
694 1 66 LEU HA 1 66 LEU HB3 . . 2.940 2.659 2.627 2.693 . 0 0 "[ . 1]" 1
695 1 66 LEU HA 1 66 LEU MD1 . . 3.570 2.097 2.027 2.175 . 0 0 "[ . 1]" 1
696 1 66 LEU HA 1 66 LEU MD2 . . 3.500 2.447 2.332 2.751 . 0 0 "[ . 1]" 1
697 1 66 LEU HA 1 66 LEU HG . . 4.200 3.677 3.662 3.698 . 0 0 "[ . 1]" 1
698 1 66 LEU HA 1 67 SER H . . 3.350 2.549 2.507 2.572 . 0 0 "[ . 1]" 1
699 1 66 LEU HB2 1 67 SER H . . 4.930 3.633 3.565 3.682 . 0 0 "[ . 1]" 1
700 1 66 LEU HB2 1 77 MET H . . 4.420 4.121 3.902 4.253 . 0 0 "[ . 1]" 1
701 1 66 LEU HB2 1 77 MET HA . . 4.070 2.823 2.644 3.055 . 0 0 "[ . 1]" 1
702 1 66 LEU HB2 1 77 MET QB . . 3.540 2.880 2.682 3.135 . 0 0 "[ . 1]" 1
703 1 66 LEU HB2 1 80 GLU QB . . 5.340 4.257 4.073 4.631 . 0 0 "[ . 1]" 1
704 1 66 LEU HB3 1 66 LEU MD1 . . 3.000 2.300 2.255 2.324 . 0 0 "[ . 1]" 1
705 1 66 LEU HB3 1 76 ARG QB . . 3.480 3.075 2.769 3.239 . 0 0 "[ . 1]" 1
706 1 66 LEU HB3 1 77 MET H . . 4.640 4.014 3.780 4.218 . 0 0 "[ . 1]" 1
707 1 66 LEU HB3 1 77 MET HA . . 3.690 3.711 3.668 3.737 0.047 9 0 "[ . 1]" 1
708 1 66 LEU MD1 1 67 SER H . . 4.140 2.336 2.168 2.507 . 0 0 "[ . 1]" 1
709 1 66 LEU MD1 1 76 ARG HA . . 4.340 4.200 3.808 4.354 0.014 5 0 "[ . 1]" 1
710 1 66 LEU MD1 1 76 ARG QG . . 3.760 2.628 1.872 3.762 0.002 1 0 "[ . 1]" 1
711 1 66 LEU MD1 1 80 GLU QB . . 3.820 3.421 2.895 3.774 . 0 0 "[ . 1]" 1
712 1 66 LEU MD1 1 80 GLU QG . . 5.170 3.775 3.361 3.919 . 0 0 "[ . 1]" 1
713 1 66 LEU MD1 1 83 VAL QG . . 3.740 3.739 3.696 3.769 0.029 9 0 "[ . 1]" 1
714 1 66 LEU MD2 1 67 SER H . . 4.480 4.255 4.199 4.375 . 0 0 "[ . 1]" 1
715 1 66 LEU MD2 1 77 MET H . . 4.900 4.670 4.417 4.875 . 0 0 "[ . 1]" 1
716 1 66 LEU MD2 1 77 MET HA . . 4.480 2.562 2.339 2.714 . 0 0 "[ . 1]" 1
717 1 66 LEU MD2 1 80 GLU QB . . 3.870 1.913 1.871 2.119 . 0 0 "[ . 1]" 1
718 1 66 LEU MD2 1 80 GLU QG . . 4.360 1.912 1.883 1.938 . 0 0 "[ . 1]" 1
719 1 66 LEU MD2 1 83 VAL QG . . 3.590 3.159 2.968 3.776 0.186 9 0 "[ . 1]" 1
720 1 66 LEU MD2 1 84 ARG H . . 5.570 5.622 5.594 5.671 0.101 9 0 "[ . 1]" 1
721 1 66 LEU HG 1 76 ARG QB . . 3.610 2.910 2.034 3.389 . 0 0 "[ . 1]" 1
722 1 66 LEU HG 1 77 MET HA . . 4.170 2.233 1.970 2.493 . 0 0 "[ . 1]" 1
723 1 66 LEU HG 1 80 GLU QB . . 3.400 2.841 2.780 2.927 . 0 0 "[ . 1]" 1
724 1 66 LEU HG 1 80 GLU QG . . 4.040 4.028 3.871 4.067 0.027 7 0 "[ . 1]" 1
725 1 67 SER H 1 67 SER QB . . 3.470 2.358 2.072 2.922 . 0 0 "[ . 1]" 1
726 1 67 SER H 1 70 GLU H . . 5.420 4.852 4.778 4.938 . 0 0 "[ . 1]" 1
727 1 67 SER H 1 70 GLU QB . . 4.210 3.527 3.343 3.695 . 0 0 "[ . 1]" 1
728 1 67 SER HA 1 68 ASP H . . 3.380 2.246 2.242 2.260 . 0 0 "[ . 1]" 1
729 1 67 SER HA 1 69 GLU H . . 4.640 4.459 4.382 4.569 . 0 0 "[ . 1]" 1
730 1 67 SER QB 1 68 ASP HA . . 4.990 4.723 4.487 4.995 0.005 2 0 "[ . 1]" 1
731 1 67 SER QB 1 69 GLU H . . 4.480 3.766 3.123 4.319 . 0 0 "[ . 1]" 1
732 1 68 ASP H 1 68 ASP QB . . 3.410 2.429 2.267 2.723 . 0 0 "[ . 1]" 1
733 1 68 ASP H 1 69 GLU H . . 4.410 2.676 2.616 2.741 . 0 0 "[ . 1]" 1
734 1 68 ASP HA 1 71 LYS H . . 3.670 3.281 3.222 3.364 . 0 0 "[ . 1]" 1
735 1 68 ASP HA 1 71 LYS QB . . 3.110 2.265 2.059 2.414 . 0 0 "[ . 1]" 1
736 1 68 ASP QB 1 69 GLU H . . 3.800 2.417 2.198 3.119 . 0 0 "[ . 1]" 1
737 1 68 ASP QB 1 69 GLU HA . . 4.160 3.842 3.792 4.068 . 0 0 "[ . 1]" 1
738 1 69 GLU H 1 69 GLU QB . . 3.210 2.453 2.117 2.584 . 0 0 "[ . 1]" 1
739 1 69 GLU H 1 69 GLU QG . . 3.770 2.385 1.962 3.779 0.009 2 0 "[ . 1]" 1
740 1 69 GLU H 1 70 GLU H . . 4.110 2.682 2.670 2.694 . 0 0 "[ . 1]" 1
741 1 69 GLU HA 1 69 GLU QG . . 3.540 2.947 2.297 3.417 . 0 0 "[ . 1]" 1
742 1 69 GLU HA 1 72 LYS QD . . 4.400 3.365 3.017 3.731 . 0 0 "[ . 1]" 1
743 1 69 GLU HA 1 72 LYS HG2 . . 3.520 2.725 2.700 2.768 . 0 0 "[ . 1]" 1
744 1 69 GLU QB 1 69 GLU QG . . 2.300 2.060 2.003 2.086 . 0 0 "[ . 1]" 1
745 1 69 GLU QB 1 70 GLU H . . 3.630 3.207 2.801 3.573 . 0 0 "[ . 1]" 1
746 1 69 GLU QG 1 70 GLU H . . 4.310 3.214 2.091 4.320 0.010 2 0 "[ . 1]" 1
747 1 70 GLU H 1 70 GLU QB . . 3.190 2.265 2.174 2.341 . 0 0 "[ . 1]" 1
748 1 70 GLU H 1 70 GLU QG . . 4.990 3.778 2.950 4.128 . 0 0 "[ . 1]" 1
749 1 70 GLU H 1 72 LYS H . . 5.500 4.120 4.109 4.136 . 0 0 "[ . 1]" 1
750 1 70 GLU HA 1 70 GLU QG . . 3.480 2.421 2.149 2.775 . 0 0 "[ . 1]" 1
751 1 70 GLU HA 1 72 LYS HG2 . . 4.090 4.106 4.093 4.116 0.026 7 0 "[ . 1]" 1
752 1 70 GLU QB 1 70 GLU QG . . 2.250 2.017 1.963 2.084 . 0 0 "[ . 1]" 1
753 1 70 GLU QB 1 76 ARG H . . 4.720 4.000 3.458 4.440 . 0 0 "[ . 1]" 1
754 1 70 GLU QG 1 76 ARG H . . 5.090 3.964 2.722 5.065 . 0 0 "[ . 1]" 1
755 1 71 LYS H 1 71 LYS QB . . 3.520 2.257 2.131 2.296 . 0 0 "[ . 1]" 1
756 1 71 LYS H 1 72 LYS H . . 3.750 2.302 2.294 2.309 . 0 0 "[ . 1]" 1
757 1 71 LYS H 1 72 LYS HG2 . . 3.570 3.291 3.276 3.313 . 0 0 "[ . 1]" 1
758 1 71 LYS QE 1 72 LYS H . . 5.340 5.117 4.708 5.343 0.003 8 0 "[ . 1]" 1
759 1 72 LYS H 1 72 LYS HD2 . . 4.750 3.027 2.516 3.576 . 0 0 "[ . 1]" 1
760 1 72 LYS H 1 72 LYS HD3 . . 4.750 2.974 2.403 3.538 . 0 0 "[ . 1]" 1
761 1 72 LYS H 1 72 LYS QE . . 4.890 3.901 3.770 3.986 . 0 0 "[ . 1]" 1
762 1 72 LYS H 1 72 LYS HG2 . . 3.340 1.890 1.884 1.900 . 0 0 "[ . 1]" 1
763 1 72 LYS HA 1 72 LYS HD2 . . 4.150 2.379 2.323 2.495 . 0 0 "[ . 1]" 1
764 1 72 LYS HA 1 72 LYS QD . . 3.350 2.290 2.248 2.311 . 0 0 "[ . 1]" 1
765 1 72 LYS HA 1 72 LYS HD3 . . 4.150 3.301 2.671 3.869 . 0 0 "[ . 1]" 1
766 1 72 LYS HA 1 72 LYS QE . . 4.580 3.287 2.279 4.309 . 0 0 "[ . 1]" 1
767 1 72 LYS HA 1 72 LYS HG2 . . 3.620 3.459 3.444 3.475 . 0 0 "[ . 1]" 1
768 1 72 LYS QB 1 72 LYS QD . . 3.130 2.609 2.371 2.847 . 0 0 "[ . 1]" 1
769 1 72 LYS QB 1 72 LYS QE . . 4.210 2.859 2.086 3.800 . 0 0 "[ . 1]" 1
770 1 72 LYS QD 1 72 LYS HG2 . . 2.630 2.205 2.176 2.251 . 0 0 "[ . 1]" 1
771 1 72 LYS QE 1 72 LYS HG2 . . 3.600 3.078 2.603 3.514 . 0 0 "[ . 1]" 1
772 1 75 GLU HA 1 75 GLU QG . . 3.150 2.532 2.311 2.952 . 0 0 "[ . 1]" 1
773 1 75 GLU QG 1 76 ARG H . . 5.340 3.918 3.147 4.331 . 0 0 "[ . 1]" 1
774 1 76 ARG H 1 76 ARG QB . . 3.370 2.174 2.067 2.313 . 0 0 "[ . 1]" 1
775 1 76 ARG H 1 76 ARG QD . . 4.180 3.826 2.618 4.171 . 0 0 "[ . 1]" 1
776 1 76 ARG H 1 76 ARG QG . . 4.570 3.555 2.597 4.069 . 0 0 "[ . 1]" 1
777 1 76 ARG H 1 77 MET H . . 3.930 2.708 2.576 2.842 . 0 0 "[ . 1]" 1
778 1 76 ARG HA 1 76 ARG HD2 . . 3.800 2.794 2.267 3.549 . 0 0 "[ . 1]" 1
779 1 76 ARG HA 1 76 ARG QD . . 3.030 2.162 1.979 2.374 . 0 0 "[ . 1]" 1
780 1 76 ARG HA 1 76 ARG HD3 . . 3.800 2.597 2.009 3.795 . 0 0 "[ . 1]" 1
781 1 76 ARG HA 1 77 MET HA . . 5.170 4.827 4.798 4.856 . 0 0 "[ . 1]" 1
782 1 76 ARG HA 1 79 ASP QB . . 4.200 2.911 2.415 3.263 . 0 0 "[ . 1]" 1
783 1 76 ARG QB 1 76 ARG QD . . 3.190 2.295 2.109 2.724 . 0 0 "[ . 1]" 1
784 1 76 ARG QB 1 77 MET H . . 3.860 2.348 2.108 2.497 . 0 0 "[ . 1]" 1
785 1 76 ARG QB 1 77 MET HA . . 4.050 3.785 3.676 3.873 . 0 0 "[ . 1]" 1
786 1 76 ARG QB 1 79 ASP H . . 5.340 4.990 4.851 5.132 . 0 0 "[ . 1]" 1
787 1 77 MET H 1 77 MET QG . . 4.100 3.499 2.424 3.956 . 0 0 "[ . 1]" 1
788 1 77 MET H 1 78 SER H . . 4.050 2.756 2.674 2.899 . 0 0 "[ . 1]" 1
789 1 77 MET H 1 79 ASP H . . 4.950 4.534 4.355 4.676 . 0 0 "[ . 1]" 1
790 1 77 MET HA 1 80 GLU QB . . 3.470 2.740 2.669 2.795 . 0 0 "[ . 1]" 1
791 1 77 MET QB 1 77 MET ME . . 3.290 2.992 2.498 3.315 0.025 9 0 "[ . 1]" 1
792 1 78 SER H 1 78 SER QB . . 3.410 2.292 2.109 2.626 . 0 0 "[ . 1]" 1
793 1 78 SER H 1 79 ASP H . . 4.130 2.618 2.585 2.692 . 0 0 "[ . 1]" 1
794 1 78 SER H 1 80 GLU H . . 4.950 3.732 3.533 3.842 . 0 0 "[ . 1]" 1
795 1 78 SER QB 1 79 ASP H . . 3.720 2.623 2.248 3.259 . 0 0 "[ . 1]" 1
796 1 79 ASP H 1 80 GLU H . . 3.900 2.660 2.650 2.676 . 0 0 "[ . 1]" 1
797 1 79 ASP H 1 80 GLU QB . . 4.730 4.398 4.386 4.409 . 0 0 "[ . 1]" 1
798 1 79 ASP QB 1 80 GLU H . . 4.220 3.032 3.017 3.062 . 0 0 "[ . 1]" 1
799 1 79 ASP HB2 1 80 GLU H . . 5.020 3.810 3.150 4.145 . 0 0 "[ . 1]" 1
800 1 79 ASP HB3 1 80 GLU H . . 5.020 3.340 3.113 3.934 . 0 0 "[ . 1]" 1
801 1 80 GLU H 1 80 GLU QB . . 3.160 2.234 2.220 2.242 . 0 0 "[ . 1]" 1
802 1 80 GLU H 1 83 VAL QG . . 5.380 4.055 4.022 4.133 . 0 0 "[ . 1]" 1
803 1 80 GLU HA 1 83 VAL H . . 3.840 3.237 3.138 3.264 . 0 0 "[ . 1]" 1
804 1 80 GLU HA 1 83 VAL MG1 . . 4.160 3.096 2.870 3.421 . 0 0 "[ . 1]" 1
805 1 80 GLU HA 1 83 VAL QG . . 3.430 1.872 1.857 1.894 . 0 0 "[ . 1]" 1
806 1 80 GLU HA 1 83 VAL MG2 . . 4.160 1.888 1.874 1.921 . 0 0 "[ . 1]" 1
807 1 80 GLU HA 1 84 ARG H . . 4.410 3.722 3.662 3.838 . 0 0 "[ . 1]" 1
808 1 80 GLU QB 1 83 VAL QG . . 3.630 3.044 2.935 3.137 . 0 0 "[ . 1]" 1
809 1 80 GLU QG 1 83 VAL QG . . 5.280 1.951 1.900 2.036 . 0 0 "[ . 1]" 1
810 1 80 GLU QG 1 84 ARG H . . 4.460 3.007 2.954 3.090 . 0 0 "[ . 1]" 1
811 1 80 GLU QG 1 84 ARG HA . . 4.920 3.180 3.107 3.282 . 0 0 "[ . 1]" 1
812 1 80 GLU QG 1 85 TYR H . . 5.340 5.404 5.377 5.446 0.106 8 0 "[ . 1]" 1
813 1 82 ARG HA 1 82 ARG QD . . 4.190 2.516 2.100 4.073 . 0 0 "[ . 1]" 1
814 1 82 ARG HA 1 82 ARG QG . . 3.450 2.982 2.521 3.129 . 0 0 "[ . 1]" 1
815 1 82 ARG HB2 1 83 VAL H . . 4.530 3.704 3.637 3.739 . 0 0 "[ . 1]" 1
816 1 82 ARG HB3 1 82 ARG QD . . 3.650 3.171 1.971 3.476 . 0 0 "[ . 1]" 1
817 1 82 ARG HB3 1 83 VAL H . . 3.520 2.225 2.140 2.273 . 0 0 "[ . 1]" 1
818 1 82 ARG HB3 1 83 VAL QG . . 3.320 3.044 2.937 3.169 . 0 0 "[ . 1]" 1
819 1 82 ARG QD 1 83 VAL H . . 5.070 3.901 2.632 4.206 . 0 0 "[ . 1]" 1
820 1 82 ARG QD 1 83 VAL QG . . 4.310 3.904 2.060 4.321 0.011 5 0 "[ . 1]" 1
821 1 82 ARG QD 1 84 ARG H . . 5.340 5.037 4.723 5.346 0.006 1 0 "[ . 1]" 1
822 1 82 ARG QG 1 83 VAL HA . . 3.810 3.202 3.084 3.638 . 0 0 "[ . 1]" 1
823 1 82 ARG QG 1 83 VAL QG . . 3.920 3.029 2.830 3.604 . 0 0 "[ . 1]" 1
824 1 82 ARG QG 1 86 GLU QG . . 4.400 4.421 4.409 4.435 0.035 2 0 "[ . 1]" 1
825 1 83 VAL H 1 83 VAL HB . . 3.900 3.605 3.599 3.613 . 0 0 "[ . 1]" 1
826 1 83 VAL H 1 83 VAL QG . . 3.380 1.919 1.832 1.964 . 0 0 "[ . 1]" 1
827 1 83 VAL H 1 86 GLU QG . . 5.340 5.277 5.193 5.347 0.007 3 0 "[ . 1]" 1
828 1 83 VAL HA 1 83 VAL MG1 . . 3.350 2.382 2.224 2.412 . 0 0 "[ . 1]" 1
829 1 83 VAL HA 1 83 VAL MG2 . . 3.350 3.192 3.186 3.194 . 0 0 "[ . 1]" 1
830 1 83 VAL HA 1 84 ARG HA . . 4.980 4.912 4.908 4.917 . 0 0 "[ . 1]" 1
831 1 83 VAL HA 1 86 GLU H . . 4.540 3.229 3.186 3.257 . 0 0 "[ . 1]" 1
832 1 83 VAL HA 1 86 GLU HB2 . . 3.650 3.657 3.632 3.670 0.020 3 0 "[ . 1]" 1
833 1 83 VAL HA 1 86 GLU HG2 . . 4.320 3.143 2.735 4.318 . 0 0 "[ . 1]" 1
834 1 83 VAL HA 1 86 GLU QG . . 3.690 2.798 2.682 2.892 . 0 0 "[ . 1]" 1
835 1 83 VAL HA 1 86 GLU HG3 . . 4.320 3.799 2.708 4.194 . 0 0 "[ . 1]" 1
836 1 83 VAL HB 1 86 GLU QG . . 4.550 4.185 4.072 4.264 . 0 0 "[ . 1]" 1
837 1 83 VAL QG 1 84 ARG H . . 4.230 2.213 2.123 2.348 . 0 0 "[ . 1]" 1
838 1 83 VAL QG 1 84 ARG HA . . 5.440 3.128 3.027 3.286 . 0 0 "[ . 1]" 1
839 1 83 VAL QG 1 84 ARG QB . . 4.420 3.418 3.355 3.707 . 0 0 "[ . 1]" 1
840 1 83 VAL QG 1 86 GLU QG . . 4.270 3.994 3.753 4.047 . 0 0 "[ . 1]" 1
841 1 83 VAL QG 1 87 ARG H . . 5.090 3.985 3.855 4.219 . 0 0 "[ . 1]" 1
842 1 84 ARG H 1 85 TYR H . . 3.920 2.804 2.796 2.816 . 0 0 "[ . 1]" 1
843 1 85 TYR H 1 85 TYR QB . . 3.550 2.226 2.188 2.285 . 0 0 "[ . 1]" 1
844 1 85 TYR H 1 86 GLU QG . . 5.340 4.100 3.994 4.184 . 0 0 "[ . 1]" 1
845 1 85 TYR HA 1 85 TYR QD . . 4.040 2.809 2.194 3.123 . 0 0 "[ . 1]" 1
846 1 85 TYR QB 1 86 GLU H . . 4.190 2.553 2.506 2.624 . 0 0 "[ . 1]" 1
847 1 86 GLU H 1 86 GLU HB2 . . 3.530 2.678 2.664 2.700 . 0 0 "[ . 1]" 1
848 1 86 GLU H 1 86 GLU HG2 . . 4.160 2.218 2.039 2.622 . 0 0 "[ . 1]" 1
849 1 86 GLU H 1 86 GLU QG . . 3.610 2.148 2.028 2.257 . 0 0 "[ . 1]" 1
850 1 86 GLU H 1 86 GLU HG3 . . 4.160 3.436 2.393 3.711 . 0 0 "[ . 1]" 1
851 1 86 GLU H 1 87 ARG H . . 3.660 2.381 2.369 2.422 . 0 0 "[ . 1]" 1
852 1 86 GLU HA 1 86 GLU QG . . 3.670 3.058 2.560 3.198 . 0 0 "[ . 1]" 1
853 1 86 GLU HA 1 87 ARG HA . . 5.090 4.813 4.803 4.820 . 0 0 "[ . 1]" 1
854 1 86 GLU HA 1 89 LYS QB . . 4.210 2.707 2.598 2.745 . 0 0 "[ . 1]" 1
855 1 86 GLU HA 1 89 LYS HG3 . . 5.500 5.498 5.404 5.526 0.026 3 0 "[ . 1]" 1
856 1 86 GLU HA 1 90 ALA H . . 5.470 5.498 5.484 5.517 0.047 9 0 "[ . 1]" 1
857 1 86 GLU HB2 1 86 GLU QG . . 2.490 2.162 2.147 2.191 . 0 0 "[ . 1]" 1
858 1 86 GLU HB2 1 87 ARG HB2 . . 5.500 4.431 4.367 4.509 . 0 0 "[ . 1]" 1
859 1 86 GLU HB2 1 89 LYS H . . 5.500 5.341 5.279 5.381 . 0 0 "[ . 1]" 1
860 1 86 GLU QG 1 87 ARG H . . 3.830 3.821 3.783 3.837 0.007 5 0 "[ . 1]" 1
861 1 87 ARG H 1 87 ARG HB2 . . 3.570 2.609 2.545 2.650 . 0 0 "[ . 1]" 1
862 1 87 ARG H 1 87 ARG HB3 . . 4.120 2.441 2.406 2.503 . 0 0 "[ . 1]" 1
863 1 87 ARG H 1 88 GLU H . . 4.150 2.727 2.676 2.797 . 0 0 "[ . 1]" 1
864 1 87 ARG H 1 89 LYS H . . 5.050 3.975 3.927 4.002 . 0 0 "[ . 1]" 1
865 1 87 ARG HA 1 87 ARG QD . . 4.240 3.754 3.636 4.054 . 0 0 "[ . 1]" 1
866 1 87 ARG HA 1 87 ARG HG2 . . 3.000 2.508 2.456 2.534 . 0 0 "[ . 1]" 1
867 1 87 ARG HB2 1 87 ARG HG2 . . 2.750 2.717 2.680 2.760 0.010 2 0 "[ . 1]" 1
868 1 87 ARG HB2 1 89 LYS H . . 5.500 5.498 5.461 5.515 0.015 8 0 "[ . 1]" 1
869 1 87 ARG HB3 1 88 GLU H . . 3.830 2.522 2.376 2.636 . 0 0 "[ . 1]" 1
870 1 87 ARG QD 1 88 GLU HA . . 4.290 2.762 2.505 3.715 . 0 0 "[ . 1]" 1
871 1 87 ARG QD 1 88 GLU QB . . 4.720 3.423 3.222 3.933 . 0 0 "[ . 1]" 1
872 1 87 ARG HG2 1 88 GLU H . . 5.500 4.138 4.059 4.228 . 0 0 "[ . 1]" 1
873 1 87 ARG HG2 1 88 GLU HA . . 4.360 4.323 4.255 4.365 0.005 8 0 "[ . 1]" 1
874 1 87 ARG HG3 1 88 GLU H . . 5.380 4.800 4.731 4.953 . 0 0 "[ . 1]" 1
875 1 88 GLU H 1 89 LYS H . . 4.010 2.691 2.609 2.748 . 0 0 "[ . 1]" 1
876 1 88 GLU HA 1 88 GLU HG2 . . 3.980 3.406 2.811 3.903 . 0 0 "[ . 1]" 1
877 1 88 GLU HA 1 88 GLU QG . . 3.390 2.696 2.390 3.338 . 0 0 "[ . 1]" 1
878 1 88 GLU HA 1 88 GLU HG3 . . 3.980 2.849 2.496 3.651 . 0 0 "[ . 1]" 1
879 1 88 GLU HA 1 90 ALA MB . . 5.300 4.257 4.106 4.393 . 0 0 "[ . 1]" 1
880 1 88 GLU HA 1 91 GLU H . . 3.700 3.520 3.426 3.585 . 0 0 "[ . 1]" 1
881 1 88 GLU HA 1 91 GLU HB2 . . 3.560 3.391 3.145 3.567 0.007 1 0 "[ . 1]" 1
882 1 88 GLU QB 1 88 GLU QG . . 2.290 2.065 1.988 2.087 . 0 0 "[ . 1]" 1
883 1 88 GLU QB 1 89 LYS HA . . 5.340 4.206 3.994 4.511 . 0 0 "[ . 1]" 1
884 1 88 GLU QG 1 89 LYS HA . . 4.420 3.770 3.177 4.400 . 0 0 "[ . 1]" 1
885 1 89 LYS H 1 89 LYS QB . . 3.430 2.119 2.090 2.187 . 0 0 "[ . 1]" 1
886 1 89 LYS H 1 89 LYS HG3 . . 4.740 4.389 4.323 4.541 . 0 0 "[ . 1]" 1
887 1 89 LYS H 1 90 ALA H . . 3.950 2.814 2.776 2.841 . 0 0 "[ . 1]" 1
888 1 89 LYS H 1 90 ALA HA . . 5.500 5.379 5.344 5.405 . 0 0 "[ . 1]" 1
889 1 89 LYS HA 1 89 LYS QD . . 3.540 2.789 1.963 3.497 . 0 0 "[ . 1]" 1
890 1 89 LYS HA 1 89 LYS QE . . 4.000 3.196 2.055 4.027 0.027 9 0 "[ . 1]" 1
891 1 89 LYS HA 1 89 LYS HG3 . . 3.890 2.430 2.272 2.922 . 0 0 "[ . 1]" 1
892 1 89 LYS HA 1 90 ALA HA . . 5.290 4.867 4.853 4.881 . 0 0 "[ . 1]" 1
893 1 89 LYS HA 1 90 ALA MB . . 5.490 5.006 4.992 5.019 . 0 0 "[ . 1]" 1
894 1 89 LYS HA 1 92 TYR HA . . 5.170 5.034 4.847 5.097 . 0 0 "[ . 1]" 1
895 1 89 LYS HA 1 92 TYR HB3 . . 4.550 2.535 2.368 2.798 . 0 0 "[ . 1]" 1
896 1 89 LYS HA 1 92 TYR QD . . 4.470 4.085 3.823 4.236 . 0 0 "[ . 1]" 1
897 1 89 LYS HA 1 93 ALA MB . . 4.680 4.654 4.343 4.700 0.020 9 0 "[ . 1]" 1
898 1 89 LYS QB 1 90 ALA H . . 3.330 2.556 2.485 2.705 . 0 0 "[ . 1]" 1
899 1 89 LYS QB 1 92 TYR H . . 5.250 4.735 4.658 4.860 . 0 0 "[ . 1]" 1
900 1 89 LYS QD 1 89 LYS QE . . 2.360 2.023 1.986 2.091 . 0 0 "[ . 1]" 1
901 1 89 LYS HD2 1 89 LYS HG3 . . 2.980 2.662 2.311 2.986 0.006 1 0 "[ . 1]" 1
902 1 89 LYS HD3 1 89 LYS HG3 . . 2.980 2.761 2.520 3.014 0.034 9 0 "[ . 1]" 1
903 1 89 LYS QE 1 89 LYS HG3 . . 3.680 2.698 2.049 3.493 . 0 0 "[ . 1]" 1
904 1 89 LYS HG3 1 90 ALA H . . 4.880 4.473 4.277 4.544 . 0 0 "[ . 1]" 1
905 1 89 LYS HG3 1 90 ALA HA . . 4.950 4.853 4.302 4.959 0.009 3 0 "[ . 1]" 1
906 1 89 LYS HG3 1 92 TYR H . . 5.040 4.864 4.627 5.029 . 0 0 "[ . 1]" 1
907 1 89 LYS HG3 1 92 TYR HB3 . . 4.710 3.331 2.982 3.753 . 0 0 "[ . 1]" 1
908 1 89 LYS HG3 1 92 TYR QD . . 5.200 4.159 3.674 4.597 . 0 0 "[ . 1]" 1
909 1 90 ALA H 1 90 ALA MB . . 3.400 2.219 2.202 2.232 . 0 0 "[ . 1]" 1
910 1 90 ALA H 1 91 GLU H . . 3.530 2.969 2.875 3.023 . 0 0 "[ . 1]" 1
911 1 90 ALA H 1 91 GLU QG . . 5.340 4.877 4.390 5.281 . 0 0 "[ . 1]" 1
912 1 90 ALA H 1 92 TYR H . . 4.410 3.864 3.822 3.939 . 0 0 "[ . 1]" 1
913 1 90 ALA HA 1 92 TYR HB3 . . 5.390 5.216 5.110 5.349 . 0 0 "[ . 1]" 1
914 1 90 ALA HA 1 94 GLN HG2 . . 4.700 4.387 4.335 4.436 . 0 0 "[ . 1]" 1
915 1 90 ALA MB 1 91 GLU H . . 3.460 2.291 2.194 2.500 . 0 0 "[ . 1]" 1
916 1 90 ALA MB 1 91 GLU HA . . 4.000 3.767 3.748 3.819 . 0 0 "[ . 1]" 1
917 1 90 ALA MB 1 91 GLU HB2 . . 5.100 4.293 4.124 4.536 . 0 0 "[ . 1]" 1
918 1 90 ALA MB 1 91 GLU QG . . 3.580 3.186 2.936 3.528 . 0 0 "[ . 1]" 1
919 1 90 ALA MB 1 92 TYR H . . 4.700 4.112 4.048 4.283 . 0 0 "[ . 1]" 1
920 1 90 ALA MB 1 94 GLN QE . . 4.520 3.657 3.097 4.185 . 0 0 "[ . 1]" 1
921 1 90 ALA MB 1 94 GLN HG2 . . 4.150 4.173 4.156 4.182 0.032 10 0 "[ . 1]" 1
922 1 90 ALA MB 1 94 GLN HG3 . . 4.470 3.691 3.558 3.977 . 0 0 "[ . 1]" 1
923 1 91 GLU H 1 91 GLU HB2 . . 3.310 2.420 2.194 2.702 . 0 0 "[ . 1]" 1
924 1 91 GLU H 1 91 GLU HG2 . . 4.100 2.761 2.020 4.009 . 0 0 "[ . 1]" 1
925 1 91 GLU H 1 91 GLU QG . . 3.560 2.399 2.003 2.893 . 0 0 "[ . 1]" 1
926 1 91 GLU H 1 91 GLU HG3 . . 4.100 3.213 2.226 4.072 . 0 0 "[ . 1]" 1
927 1 91 GLU H 1 92 TYR H . . 3.860 2.620 2.466 2.673 . 0 0 "[ . 1]" 1
928 1 91 GLU H 1 94 GLN HG3 . . 4.560 4.145 3.994 4.571 0.011 7 0 "[ . 1]" 1
929 1 91 GLU HA 1 91 GLU QG . . 3.290 2.594 2.310 2.783 . 0 0 "[ . 1]" 1
930 1 91 GLU HA 1 94 GLN QB . . 3.170 2.663 2.303 2.865 . 0 0 "[ . 1]" 1
931 1 91 GLU HA 1 94 GLN HG2 . . 3.740 3.684 3.345 3.744 0.004 5 0 "[ . 1]" 1
932 1 91 GLU HB2 1 92 TYR H . . 3.370 3.071 2.988 3.134 . 0 0 "[ . 1]" 1
933 1 92 TYR H 1 92 TYR HB2 . . 3.520 2.444 2.284 2.576 . 0 0 "[ . 1]" 1
934 1 92 TYR H 1 93 ALA H . . 4.230 2.504 2.378 2.740 . 0 0 "[ . 1]" 1
935 1 92 TYR H 1 94 GLN H . . 4.630 3.722 3.578 3.800 . 0 0 "[ . 1]" 1
936 1 92 TYR HA 1 92 TYR QD . . 4.030 2.742 2.190 3.104 . 0 0 "[ . 1]" 1
937 1 92 TYR HB3 1 93 ALA H . . 5.110 2.657 2.125 2.869 . 0 0 "[ . 1]" 1
938 1 92 TYR HB3 1 93 ALA MB . . 5.300 3.716 3.523 3.811 . 0 0 "[ . 1]" 1
939 1 92 TYR QD 1 93 ALA MB . . 4.770 4.105 3.624 4.739 . 0 0 "[ . 1]" 1
940 1 93 ALA H 1 93 ALA MB . . 3.170 2.149 2.087 2.196 . 0 0 "[ . 1]" 1
941 1 93 ALA H 1 94 GLN H . . 3.810 2.438 2.332 2.649 . 0 0 "[ . 1]" 1
942 1 93 ALA MB 1 94 GLN H . . 4.070 3.046 2.983 3.140 . 0 0 "[ . 1]" 1
943 1 93 ALA MB 1 94 GLN HG2 . . 4.910 3.585 3.407 4.282 . 0 0 "[ . 1]" 1
944 1 94 GLN H 1 94 GLN QB . . 3.350 2.427 2.144 2.530 . 0 0 "[ . 1]" 1
945 1 94 GLN H 1 94 GLN HG3 . . 3.890 2.921 2.643 3.638 . 0 0 "[ . 1]" 1
946 1 94 GLN HA 1 94 GLN HG2 . . 3.230 2.467 2.289 2.524 . 0 0 "[ . 1]" 1
947 1 94 GLN HA 1 94 GLN HG3 . . 3.620 3.656 3.566 3.683 0.063 2 0 "[ . 1]" 1
948 1 94 GLN QB 1 95 ARG H . . 3.460 2.648 2.309 2.915 . 0 0 "[ . 1]" 1
949 1 94 GLN HG3 1 95 ARG H . . 5.160 4.495 4.246 4.857 . 0 0 "[ . 1]" 1
950 1 95 ARG H 1 95 ARG QB . . 3.320 2.290 2.147 2.617 . 0 0 "[ . 1]" 1
951 1 95 ARG H 1 95 ARG HG2 . . 4.700 3.925 2.552 4.594 . 0 0 "[ . 1]" 1
952 1 95 ARG H 1 95 ARG QG . . 4.130 3.398 2.029 3.971 . 0 0 "[ . 1]" 1
953 1 95 ARG H 1 95 ARG HG3 . . 4.700 3.892 2.083 4.555 . 0 0 "[ . 1]" 1
954 1 95 ARG H 1 96 LYS H . . 5.500 2.572 2.330 2.789 . 0 0 "[ . 1]" 1
955 1 95 ARG HA 1 95 ARG QD . . 4.900 3.739 3.138 4.321 . 0 0 "[ . 1]" 1
956 1 95 ARG HA 1 95 ARG QG . . 3.520 2.526 2.183 3.422 . 0 0 "[ . 1]" 1
957 1 95 ARG QB 1 96 LYS H . . 3.950 2.958 2.586 3.662 . 0 0 "[ . 1]" 1
958 1 95 ARG QD 1 96 LYS H . . 5.340 4.314 3.127 5.304 . 0 0 "[ . 1]" 1
959 1 96 LYS H 1 96 LYS HB2 . . 3.680 2.388 2.185 2.586 . 0 0 "[ . 1]" 1
960 1 96 LYS H 1 96 LYS QB . . 3.210 2.351 2.163 2.531 . 0 0 "[ . 1]" 1
961 1 96 LYS H 1 96 LYS HB3 . . 3.680 3.553 3.457 3.599 . 0 0 "[ . 1]" 1
962 1 96 LYS H 1 96 LYS HD2 . . 4.830 4.041 2.872 4.715 . 0 0 "[ . 1]" 1
963 1 96 LYS H 1 96 LYS QD . . 3.990 3.293 2.080 3.967 . 0 0 "[ . 1]" 1
964 1 96 LYS H 1 96 LYS HD3 . . 4.830 3.604 2.135 4.623 . 0 0 "[ . 1]" 1
965 1 96 LYS HA 1 96 LYS QB . . 2.550 2.417 2.327 2.504 . 0 0 "[ . 1]" 1
966 1 96 LYS HA 1 96 LYS QD . . 2.860 2.534 2.170 2.862 0.002 1 0 "[ . 1]" 1
967 1 96 LYS HA 1 96 LYS QE . . 5.340 3.922 2.136 4.506 . 0 0 "[ . 1]" 1
968 1 96 LYS QB 1 96 LYS QD . . 2.490 2.289 2.132 2.488 . 0 0 "[ . 1]" 1
969 1 96 LYS QB 1 96 LYS QE . . 3.640 2.905 2.076 3.542 . 0 0 "[ . 1]" 1
970 1 96 LYS QB 1 96 LYS QG . . 2.310 2.012 2.001 2.020 . 0 0 "[ . 1]" 1
971 1 97 VAL H 1 97 VAL HB . . 3.650 2.523 2.408 2.628 . 0 0 "[ . 1]" 1
972 1 97 VAL HA 1 97 VAL MG1 . . 3.400 2.677 2.264 3.200 . 0 0 "[ . 1]" 1
973 1 97 VAL HA 1 97 VAL QG . . 2.900 2.149 2.044 2.322 . 0 0 "[ . 1]" 1
974 1 97 VAL HA 1 97 VAL MG2 . . 3.400 2.317 2.209 2.385 . 0 0 "[ . 1]" 1
stop_
save_