NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
407356 |
1y7x   |
6447 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1y7x
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 929
_Distance_constraint_stats_list.Viol_count 639
_Distance_constraint_stats_list.Viol_total 529.546
_Distance_constraint_stats_list.Viol_max 0.232
_Distance_constraint_stats_list.Viol_rms 0.0103
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0014
_Distance_constraint_stats_list.Viol_average_violations_only 0.0414
_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 4 MET 0.177 0.094 4 0 "[ . 1 . 2]"
1 5 GLN 0.439 0.094 4 0 "[ . 1 . 2]"
1 6 VAL 0.109 0.095 3 0 "[ . 1 . 2]"
1 7 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 LEU 0.135 0.071 15 0 "[ . 1 . 2]"
1 9 PRO 0.246 0.091 15 0 "[ . 1 . 2]"
1 10 ASN 0.192 0.101 3 0 "[ . 1 . 2]"
1 11 THR 0.273 0.091 15 0 "[ . 1 . 2]"
1 12 ALA 2.182 0.200 8 0 "[ . 1 . 2]"
1 13 LEU 0.762 0.129 11 0 "[ . 1 . 2]"
1 14 HIS 0.232 0.037 7 0 "[ . 1 . 2]"
1 15 LEU 1.121 0.130 5 0 "[ . 1 . 2]"
1 16 LYS 0.246 0.068 3 0 "[ . 1 . 2]"
1 17 ALA 1.735 0.107 17 0 "[ . 1 . 2]"
1 18 LEU 0.696 0.087 6 0 "[ . 1 . 2]"
1 19 LEU 1.155 0.107 8 0 "[ . 1 . 2]"
1 20 ASP 0.533 0.107 8 0 "[ . 1 . 2]"
1 21 PHE 1.440 0.127 4 0 "[ . 1 . 2]"
1 22 GLU 0.107 0.069 5 0 "[ . 1 . 2]"
1 23 ASP 0.215 0.055 7 0 "[ . 1 . 2]"
1 24 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 ASP 0.188 0.042 10 0 "[ . 1 . 2]"
1 26 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 ASP 0.556 0.118 6 0 "[ . 1 . 2]"
1 28 LYS 0.924 0.127 4 0 "[ . 1 . 2]"
1 29 VAL 0.971 0.097 5 0 "[ . 1 . 2]"
1 30 VAL 0.673 0.075 11 0 "[ . 1 . 2]"
1 31 ALA 0.323 0.056 4 0 "[ . 1 . 2]"
1 32 GLY 0.028 0.020 10 0 "[ . 1 . 2]"
1 33 ASP 2.866 0.100 19 0 "[ . 1 . 2]"
1 34 GLU 0.271 0.111 2 0 "[ . 1 . 2]"
1 35 TRP 2.328 0.130 5 0 "[ . 1 . 2]"
1 36 LEU 0.520 0.054 10 0 "[ . 1 . 2]"
1 37 PHE 0.571 0.129 11 0 "[ . 1 . 2]"
1 38 GLU 1.024 0.186 12 0 "[ . 1 . 2]"
1 39 GLY 0.082 0.036 19 0 "[ . 1 . 2]"
1 40 PRO 0.104 0.041 7 0 "[ . 1 . 2]"
1 41 GLY 0.082 0.036 19 0 "[ . 1 . 2]"
1 42 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 TYR 0.249 0.087 19 0 "[ . 1 . 2]"
1 44 ILE 0.210 0.054 16 0 "[ . 1 . 2]"
1 45 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 GLU 0.522 0.072 7 0 "[ . 1 . 2]"
1 49 VAL 0.953 0.107 17 0 "[ . 1 . 2]"
1 50 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 VAL 0.404 0.065 8 0 "[ . 1 . 2]"
1 52 VAL 0.063 0.041 8 0 "[ . 1 . 2]"
1 53 GLU 0.196 0.044 19 0 "[ . 1 . 2]"
1 54 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 ILE 0.419 0.126 15 0 "[ . 1 . 2]"
1 56 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 ALA 0.201 0.101 3 0 "[ . 1 . 2]"
1 58 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 ILE 0.854 0.232 7 0 "[ . 1 . 2]"
1 60 ILE 0.342 0.056 6 0 "[ . 1 . 2]"
1 61 ARG 0.193 0.054 12 0 "[ . 1 . 2]"
1 62 GLN 0.564 0.111 1 0 "[ . 1 . 2]"
1 63 ASN 0.229 0.140 10 0 "[ . 1 . 2]"
1 64 GLN 0.424 0.064 14 0 "[ . 1 . 2]"
1 65 ALA 0.205 0.119 17 0 "[ . 1 . 2]"
1 66 LEU 0.716 0.147 20 0 "[ . 1 . 2]"
1 67 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 LEU 0.894 0.215 15 0 "[ . 1 . 2]"
1 69 ARG 0.478 0.115 9 0 "[ . 1 . 2]"
1 70 ALA 0.462 0.100 5 0 "[ . 1 . 2]"
1 71 ARG 0.059 0.022 11 0 "[ . 1 . 2]"
1 72 LYS 0.205 0.048 17 0 "[ . 1 . 2]"
1 73 GLU 0.227 0.056 4 0 "[ . 1 . 2]"
1 74 CYS 0.086 0.041 8 0 "[ . 1 . 2]"
1 75 TRP 1.980 0.136 15 0 "[ . 1 . 2]"
1 76 ASP 0.856 0.085 19 0 "[ . 1 . 2]"
1 77 ARG 0.433 0.071 18 0 "[ . 1 . 2]"
1 78 ASP 0.066 0.030 7 0 "[ . 1 . 2]"
1 79 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 LYS 0.155 0.089 3 0 "[ . 1 . 2]"
1 81 GLU 0.089 0.089 3 0 "[ . 1 . 2]"
1 82 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 VAL 0.404 0.053 19 0 "[ . 1 . 2]"
1 84 THR 0.859 0.100 5 0 "[ . 1 . 2]"
1 85 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 GLU 0.289 0.053 6 0 "[ . 1 . 2]"
1 87 GLU 0.581 0.104 11 0 "[ . 1 . 2]"
1 88 TRP 0.530 0.071 18 0 "[ . 1 . 2]"
1 89 LEU 1.336 0.147 20 0 "[ . 1 . 2]"
1 90 VAL 0.016 0.016 13 0 "[ . 1 . 2]"
1 91 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 THR 0.019 0.019 20 0 "[ . 1 . 2]"
1 93 VAL 0.592 0.111 1 0 "[ . 1 . 2]"
1 94 GLY 0.118 0.048 6 0 "[ . 1 . 2]"
1 95 ALA 0.198 0.102 4 0 "[ . 1 . 2]"
1 96 TYR 0.614 0.232 7 0 "[ . 1 . 2]"
1 97 LEU 2.868 0.200 8 0 "[ . 1 . 2]"
1 98 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 99 ALA 1.536 0.219 15 0 "[ . 1 . 2]"
1 100 VAL 0.640 0.111 2 0 "[ . 1 . 2]"
1 101 PHE 1.085 0.136 15 0 "[ . 1 . 2]"
1 102 GLU 1.521 0.219 15 0 "[ . 1 . 2]"
1 103 GLU 0.041 0.022 11 0 "[ . 1 . 2]"
1 104 VAL 0.215 0.215 15 0 "[ . 1 . 2]"
1 105 LEU 0.615 0.115 9 0 "[ . 1 . 2]"
1 106 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 107 LEU 0.134 0.100 5 0 "[ . 1 . 2]"
1 108 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 109 ASP 0.209 0.119 17 0 "[ . 1 . 2]"
1 110 ALA 0.587 0.140 10 0 "[ . 1 . 2]"
1 111 VAL 0.086 0.048 8 0 "[ . 1 . 2]"
1 112 ILE 0.028 0.028 7 0 "[ . 1 . 2]"
1 113 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 4 MET H 1 4 MET QG 3.325 . 4.850 3.485 2.207 4.258 . 0 0 "[ . 1 . 2]" 1
2 1 4 MET HA 1 5 GLN H 2.570 . 3.340 2.474 2.212 3.434 0.094 4 0 "[ . 1 . 2]" 1
3 1 4 MET HA 1 44 ILE MG 3.510 . 5.220 4.088 3.111 4.315 . 0 0 "[ . 1 . 2]" 1
4 1 4 MET QB 1 5 GLN H 2.985 . 4.170 3.122 1.849 3.725 . 0 0 "[ . 1 . 2]" 1
5 1 4 MET QG 1 5 GLN H 3.240 . 4.680 2.862 1.841 4.035 . 0 0 "[ . 1 . 2]" 1
6 1 4 MET QG 1 44 ILE HG13 3.060 . 4.320 3.217 2.421 3.912 . 0 0 "[ . 1 . 2]" 1
7 1 5 GLN H 1 5 GLN QB 2.760 . 3.720 2.457 1.926 3.273 . 0 0 "[ . 1 . 2]" 1
8 1 5 GLN H 1 5 GLN QG 3.520 . 5.240 3.392 1.864 4.119 . 0 0 "[ . 1 . 2]" 1
9 1 5 GLN H 1 43 TYR H 3.400 . 5.000 4.435 3.386 5.023 0.023 12 0 "[ . 1 . 2]" 1
10 1 5 GLN H 1 44 ILE HA 3.400 . 5.000 4.771 4.236 5.029 0.029 18 0 "[ . 1 . 2]" 1
11 1 5 GLN H 1 44 ILE MD 3.650 . 5.500 3.816 2.479 4.503 . 0 0 "[ . 1 . 2]" 1
12 1 5 GLN H 1 44 ILE HG13 3.475 . 5.150 4.356 3.643 5.204 0.054 16 0 "[ . 1 . 2]" 1
13 1 5 GLN HA 1 6 VAL H 2.540 . 3.280 2.550 2.227 2.913 . 0 0 "[ . 1 . 2]" 1
14 1 5 GLN HE21 1 54 ILE MG 3.400 . 5.000 4.155 3.871 4.256 . 0 0 "[ . 1 . 2]" 1
15 1 5 GLN HE22 1 54 ILE MG 3.365 . 4.930 3.776 2.864 4.156 . 0 0 "[ . 1 . 2]" 1
16 1 5 GLN QG 1 6 VAL H 3.280 . 4.760 3.273 1.805 4.102 . 0 0 "[ . 1 . 2]" 1
17 1 6 VAL H 1 6 VAL HB 2.940 . 4.080 2.892 2.164 3.790 . 0 0 "[ . 1 . 2]" 1
18 1 6 VAL H 1 6 VAL QG 2.830 . 3.860 2.193 1.705 2.873 0.095 3 0 "[ . 1 . 2]" 1
19 1 6 VAL H 1 7 VAL H 3.650 . 5.500 4.468 3.514 4.714 . 0 0 "[ . 1 . 2]" 1
20 1 6 VAL HA 1 6 VAL QG 2.915 . 4.030 2.153 2.007 2.359 . 0 0 "[ . 1 . 2]" 1
21 1 6 VAL HA 1 7 VAL H 2.710 . 3.620 2.463 2.231 3.169 . 0 0 "[ . 1 . 2]" 1
22 1 6 VAL HA 1 42 THR MG 3.115 . 4.430 3.305 2.136 3.620 . 0 0 "[ . 1 . 2]" 1
23 1 6 VAL QG 1 7 VAL H 3.470 . 5.140 2.363 1.837 3.703 . 0 0 "[ . 1 . 2]" 1
24 1 7 VAL H 1 7 VAL HB 2.895 . 3.990 2.631 2.332 3.543 . 0 0 "[ . 1 . 2]" 1
25 1 7 VAL H 1 7 VAL MG1 3.300 . 4.800 3.629 2.089 3.799 . 0 0 "[ . 1 . 2]" 1
26 1 7 VAL H 1 7 VAL MG2 3.100 . 4.400 2.075 1.810 3.734 . 0 0 "[ . 1 . 2]" 1
27 1 7 VAL H 1 8 LEU H 3.310 . 4.820 4.427 3.912 4.698 . 0 0 "[ . 1 . 2]" 1
28 1 7 VAL HA 1 7 VAL MG1 2.795 . 3.790 2.324 2.031 3.159 . 0 0 "[ . 1 . 2]" 1
29 1 7 VAL HA 1 8 LEU H 2.515 . 3.230 2.261 2.151 2.399 . 0 0 "[ . 1 . 2]" 1
30 1 7 VAL MG1 1 39 GLY HA3 3.325 . 4.850 3.850 3.416 4.173 . 0 0 "[ . 1 . 2]" 1
31 1 8 LEU H 1 8 LEU HB2 2.860 . 3.920 2.218 1.964 3.495 . 0 0 "[ . 1 . 2]" 1
32 1 8 LEU H 1 8 LEU HB3 2.970 . 4.140 3.382 2.207 3.701 . 0 0 "[ . 1 . 2]" 1
33 1 8 LEU H 1 8 LEU MD1 3.580 . 5.360 2.223 1.770 2.681 0.030 15 0 "[ . 1 . 2]" 1
34 1 8 LEU H 1 8 LEU MD2 3.270 . 4.740 3.218 1.777 3.814 0.023 4 0 "[ . 1 . 2]" 1
35 1 8 LEU H 1 8 LEU HG 3.225 . 4.650 4.053 3.527 4.343 . 0 0 "[ . 1 . 2]" 1
36 1 8 LEU HA 1 8 LEU MD1 3.385 . 4.970 2.035 1.804 3.316 . 0 0 "[ . 1 . 2]" 1
37 1 8 LEU HA 1 8 LEU MD2 3.315 . 4.830 3.668 3.407 3.762 . 0 0 "[ . 1 . 2]" 1
38 1 8 LEU HB2 1 11 THR H 3.650 . 5.500 3.514 2.443 4.992 . 0 0 "[ . 1 . 2]" 1
39 1 8 LEU MD2 1 11 THR H 3.370 . 4.940 3.537 1.729 3.964 0.071 15 0 "[ . 1 . 2]" 1
40 1 8 LEU MD2 1 11 THR HB 3.540 . 5.280 3.623 3.042 4.241 . 0 0 "[ . 1 . 2]" 1
41 1 8 LEU MD2 1 12 ALA HA 3.650 . 5.500 3.599 2.610 4.471 . 0 0 "[ . 1 . 2]" 1
42 1 8 LEU MD2 1 39 GLY H 3.320 . 4.840 3.727 3.417 3.941 . 0 0 "[ . 1 . 2]" 1
43 1 9 PRO HA 1 10 ASN H 2.765 . 3.730 3.100 2.410 3.599 . 0 0 "[ . 1 . 2]" 1
44 1 9 PRO HA 1 11 THR H 3.515 . 5.230 4.988 4.427 5.321 0.091 15 0 "[ . 1 . 2]" 1
45 1 9 PRO HB2 1 10 ASN H 3.250 . 4.700 3.399 1.794 4.363 0.006 15 0 "[ . 1 . 2]" 1
46 1 9 PRO HB3 1 10 ASN H 3.225 . 4.650 4.158 3.358 4.679 0.029 8 0 "[ . 1 . 2]" 1
47 1 9 PRO HG2 1 10 ASN H 3.650 . 5.500 3.295 1.835 5.015 . 0 0 "[ . 1 . 2]" 1
48 1 9 PRO HG2 1 11 THR MG 3.630 . 5.460 2.370 1.882 2.855 . 0 0 "[ . 1 . 2]" 1
49 1 10 ASN H 1 11 THR H 2.865 . 3.930 2.568 1.910 3.841 . 0 0 "[ . 1 . 2]" 1
50 1 10 ASN HA 1 10 ASN HD22 3.595 . 5.390 4.111 3.161 5.380 . 0 0 "[ . 1 . 2]" 1
51 1 10 ASN HB2 1 57 ALA MB 3.185 . 4.570 2.854 1.891 3.806 . 0 0 "[ . 1 . 2]" 1
52 1 10 ASN HB3 1 11 THR H 3.650 . 5.500 4.369 4.173 4.683 . 0 0 "[ . 1 . 2]" 1
53 1 10 ASN HB3 1 57 ALA H 3.650 . 5.500 5.093 4.296 5.601 0.101 3 0 "[ . 1 . 2]" 1
54 1 10 ASN HB3 1 57 ALA MB 2.930 . 4.060 2.569 2.073 3.236 . 0 0 "[ . 1 . 2]" 1
55 1 11 THR H 1 11 THR MG 2.970 . 4.140 2.403 1.929 2.946 . 0 0 "[ . 1 . 2]" 1
56 1 11 THR H 1 12 ALA H 3.650 . 5.500 4.522 4.444 4.594 . 0 0 "[ . 1 . 2]" 1
57 1 11 THR H 1 39 GLY H 3.400 . 5.000 3.692 3.301 4.077 . 0 0 "[ . 1 . 2]" 1
58 1 11 THR HA 1 11 THR MG 2.770 . 3.740 2.485 2.290 2.685 . 0 0 "[ . 1 . 2]" 1
59 1 11 THR HA 1 12 ALA H 2.625 . 3.450 2.471 2.292 2.542 . 0 0 "[ . 1 . 2]" 1
60 1 11 THR HA 1 55 ILE MG 3.165 . 4.530 3.511 3.051 3.692 . 0 0 "[ . 1 . 2]" 1
61 1 11 THR HA 1 57 ALA H 2.900 . 4.000 3.410 2.155 3.904 . 0 0 "[ . 1 . 2]" 1
62 1 11 THR HA 1 97 LEU QD 3.410 . 5.020 3.183 2.822 3.430 . 0 0 "[ . 1 . 2]" 1
63 1 11 THR HB 1 12 ALA H 2.745 . 3.690 2.670 2.481 2.970 . 0 0 "[ . 1 . 2]" 1
64 1 11 THR HB 1 55 ILE H 3.650 . 5.500 4.369 4.006 4.745 . 0 0 "[ . 1 . 2]" 1
65 1 11 THR HB 1 55 ILE MG 3.335 . 4.870 3.697 3.520 3.915 . 0 0 "[ . 1 . 2]" 1
66 1 11 THR HB 1 56 GLN HB2 3.575 . 5.350 4.769 3.968 5.134 . 0 0 "[ . 1 . 2]" 1
67 1 11 THR HB 1 56 GLN HB3 3.360 . 4.920 4.192 2.904 4.648 . 0 0 "[ . 1 . 2]" 1
68 1 11 THR MG 1 12 ALA H 3.515 . 5.230 4.010 3.830 4.210 . 0 0 "[ . 1 . 2]" 1
69 1 12 ALA H 1 12 ALA MB 2.955 . 4.110 2.561 2.493 2.619 . 0 0 "[ . 1 . 2]" 1
70 1 12 ALA H 1 38 GLU HA 3.595 . 5.390 4.391 4.033 4.724 . 0 0 "[ . 1 . 2]" 1
71 1 12 ALA H 1 39 GLY H 3.650 . 5.500 4.817 4.614 5.002 . 0 0 "[ . 1 . 2]" 1
72 1 12 ALA H 1 55 ILE H 2.900 . 4.000 3.456 3.216 3.698 . 0 0 "[ . 1 . 2]" 1
73 1 12 ALA H 1 55 ILE HB 3.165 . 4.530 4.342 3.088 4.656 0.126 15 0 "[ . 1 . 2]" 1
74 1 12 ALA H 1 55 ILE MD 3.650 . 5.500 4.289 3.870 4.566 . 0 0 "[ . 1 . 2]" 1
75 1 12 ALA H 1 55 ILE MG 3.080 . 4.360 1.960 1.801 2.196 . 0 0 "[ . 1 . 2]" 1
76 1 12 ALA H 1 56 GLN HA 3.285 . 4.770 3.679 2.958 4.057 . 0 0 "[ . 1 . 2]" 1
77 1 12 ALA H 1 97 LEU QD 3.610 . 5.420 3.237 2.883 3.674 . 0 0 "[ . 1 . 2]" 1
78 1 12 ALA HA 1 37 PHE H 3.650 . 5.500 4.258 4.150 4.375 . 0 0 "[ . 1 . 2]" 1
79 1 12 ALA HA 1 38 GLU HA 3.270 . 4.740 2.407 1.925 2.786 . 0 0 "[ . 1 . 2]" 1
80 1 12 ALA HA 1 39 GLY H 2.900 . 4.000 2.988 2.623 3.287 . 0 0 "[ . 1 . 2]" 1
81 1 12 ALA HA 1 97 LEU QD 3.610 . 5.420 3.730 3.541 3.951 . 0 0 "[ . 1 . 2]" 1
82 1 12 ALA MB 1 13 LEU H 2.805 . 3.810 2.680 2.552 2.764 . 0 0 "[ . 1 . 2]" 1
83 1 12 ALA MB 1 36 LEU HA 3.635 . 5.470 4.395 4.302 4.477 . 0 0 "[ . 1 . 2]" 1
84 1 12 ALA MB 1 37 PHE H 2.815 . 3.830 2.879 2.623 3.061 . 0 0 "[ . 1 . 2]" 1
85 1 12 ALA MB 1 37 PHE HA 3.520 . 5.240 3.953 3.762 4.092 . 0 0 "[ . 1 . 2]" 1
86 1 12 ALA MB 1 38 GLU HA 2.840 . 3.880 1.843 1.785 2.014 0.015 1 0 "[ . 1 . 2]" 1
87 1 12 ALA MB 1 38 GLU HB2 2.975 . 4.150 2.843 2.441 3.290 . 0 0 "[ . 1 . 2]" 1
88 1 12 ALA MB 1 39 GLY H 3.120 . 4.440 3.407 3.172 3.605 . 0 0 "[ . 1 . 2]" 1
89 1 12 ALA MB 1 55 ILE H 3.650 . 5.500 4.248 4.074 4.380 . 0 0 "[ . 1 . 2]" 1
90 1 12 ALA MB 1 97 LEU QD 2.665 . 3.530 1.732 1.600 2.005 0.200 8 0 "[ . 1 . 2]" 1
91 1 13 LEU H 1 13 LEU QD 3.280 . 4.760 2.448 1.816 3.101 . 0 0 "[ . 1 . 2]" 1
92 1 13 LEU H 1 36 LEU MD1 3.445 . 5.090 2.848 2.268 3.762 . 0 0 "[ . 1 . 2]" 1
93 1 13 LEU H 1 37 PHE H 3.315 . 4.830 2.524 2.268 2.735 . 0 0 "[ . 1 . 2]" 1
94 1 13 LEU H 1 37 PHE QB 3.305 . 4.810 2.587 2.147 3.001 . 0 0 "[ . 1 . 2]" 1
95 1 13 LEU H 1 37 PHE QD 3.605 . 5.410 4.463 4.036 4.700 . 0 0 "[ . 1 . 2]" 1
96 1 13 LEU H 1 38 GLU HA 3.350 . 4.900 4.029 3.712 4.286 . 0 0 "[ . 1 . 2]" 1
97 1 13 LEU H 1 39 GLY H 3.650 . 5.500 5.097 4.687 5.355 . 0 0 "[ . 1 . 2]" 1
98 1 13 LEU HA 1 13 LEU QD 3.400 . 5.000 3.372 3.272 3.437 . 0 0 "[ . 1 . 2]" 1
99 1 13 LEU HA 1 55 ILE H 3.400 . 5.000 2.542 2.139 2.875 . 0 0 "[ . 1 . 2]" 1
100 1 13 LEU HB2 1 13 LEU QD 2.735 . 3.670 2.075 1.945 2.271 . 0 0 "[ . 1 . 2]" 1
101 1 13 LEU HB3 1 13 LEU QD 2.675 . 3.550 2.025 1.858 2.307 . 0 0 "[ . 1 . 2]" 1
102 1 13 LEU QD 1 14 HIS H 3.650 . 5.500 3.365 2.640 3.712 . 0 0 "[ . 1 . 2]" 1
103 1 13 LEU QD 1 37 PHE H 3.650 . 5.500 3.486 2.685 4.091 . 0 0 "[ . 1 . 2]" 1
104 1 13 LEU QD 1 37 PHE QB 3.080 . 4.360 1.957 1.671 2.500 0.129 11 0 "[ . 1 . 2]" 1
105 1 13 LEU QD 1 37 PHE QD 3.625 . 5.450 2.845 2.360 3.611 . 0 0 "[ . 1 . 2]" 1
106 1 13 LEU QD 1 40 PRO HB2 2.995 . 4.190 2.256 1.761 2.994 0.039 2 0 "[ . 1 . 2]" 1
107 1 13 LEU QD 1 40 PRO HB3 3.430 . 5.060 2.129 1.759 2.826 0.041 7 0 "[ . 1 . 2]" 1
108 1 13 LEU QD 1 43 TYR HB2 3.545 . 5.290 3.594 3.163 3.948 . 0 0 "[ . 1 . 2]" 1
109 1 13 LEU QD 1 43 TYR QD 3.065 . 4.330 2.213 1.839 3.009 . 0 0 "[ . 1 . 2]" 1
110 1 13 LEU QD 1 43 TYR QE 3.175 . 4.550 2.238 1.713 2.976 0.087 19 0 "[ . 1 . 2]" 1
111 1 13 LEU QD 1 51 VAL HA 3.650 . 5.500 3.057 2.633 3.898 . 0 0 "[ . 1 . 2]" 1
112 1 13 LEU QD 1 52 VAL H 3.650 . 5.500 3.426 2.936 4.092 . 0 0 "[ . 1 . 2]" 1
113 1 13 LEU QD 1 54 ILE MG 3.460 . 5.120 2.806 2.386 3.095 . 0 0 "[ . 1 . 2]" 1
114 1 14 HIS H 1 36 LEU MD1 3.140 . 4.480 3.359 3.057 3.673 . 0 0 "[ . 1 . 2]" 1
115 1 14 HIS H 1 52 VAL H 3.485 . 5.170 4.423 4.065 4.723 . 0 0 "[ . 1 . 2]" 1
116 1 14 HIS H 1 53 GLU H 2.900 . 4.000 2.759 2.531 3.012 . 0 0 "[ . 1 . 2]" 1
117 1 14 HIS H 1 53 GLU HB2 3.180 . 4.560 2.875 2.612 3.152 . 0 0 "[ . 1 . 2]" 1
118 1 14 HIS H 1 54 ILE HA 3.370 . 4.940 3.063 2.886 3.298 . 0 0 "[ . 1 . 2]" 1
119 1 14 HIS H 1 54 ILE MD 3.135 . 4.470 3.469 3.371 3.589 . 0 0 "[ . 1 . 2]" 1
120 1 14 HIS H 1 54 ILE MG 3.650 . 5.500 4.409 4.292 4.532 . 0 0 "[ . 1 . 2]" 1
121 1 14 HIS H 1 55 ILE HB 3.445 . 5.090 4.743 4.313 5.123 0.033 5 0 "[ . 1 . 2]" 1
122 1 14 HIS HA 1 14 HIS HD2 3.275 . 4.750 3.332 2.747 3.750 . 0 0 "[ . 1 . 2]" 1
123 1 14 HIS HA 1 36 LEU MD1 3.275 . 4.750 2.689 2.336 3.225 . 0 0 "[ . 1 . 2]" 1
124 1 14 HIS HA 1 37 PHE H 3.235 . 4.670 3.559 3.218 3.739 . 0 0 "[ . 1 . 2]" 1
125 1 14 HIS HB2 1 53 GLU H 3.330 . 4.860 2.132 1.871 2.610 . 0 0 "[ . 1 . 2]" 1
126 1 14 HIS HB2 1 53 GLU HB2 2.790 . 3.780 2.171 1.864 2.994 . 0 0 "[ . 1 . 2]" 1
127 1 14 HIS HB2 1 100 VAL QG 3.610 . 5.420 3.804 3.301 4.088 . 0 0 "[ . 1 . 2]" 1
128 1 14 HIS HB3 1 35 TRP H 3.625 . 5.450 4.661 4.375 4.985 . 0 0 "[ . 1 . 2]" 1
129 1 14 HIS HB3 1 52 VAL H 3.650 . 5.500 4.885 4.556 5.301 . 0 0 "[ . 1 . 2]" 1
130 1 14 HIS HB3 1 52 VAL HB 2.900 . 4.000 3.029 2.686 3.443 . 0 0 "[ . 1 . 2]" 1
131 1 14 HIS HB3 1 52 VAL MG1 3.255 . 4.710 3.527 3.113 3.723 . 0 0 "[ . 1 . 2]" 1
132 1 14 HIS HB3 1 53 GLU H 3.450 . 5.100 3.590 3.321 3.838 . 0 0 "[ . 1 . 2]" 1
133 1 14 HIS HB3 1 53 GLU HB2 3.110 . 4.420 3.647 3.295 4.387 . 0 0 "[ . 1 . 2]" 1
134 1 14 HIS HB3 1 53 GLU QG 2.980 . 4.160 3.158 2.438 3.768 . 0 0 "[ . 1 . 2]" 1
135 1 14 HIS HB3 1 100 VAL QG 3.045 . 4.290 2.563 1.965 2.955 . 0 0 "[ . 1 . 2]" 1
136 1 14 HIS HD2 1 15 LEU H 3.650 . 5.500 5.259 4.930 5.514 0.014 15 0 "[ . 1 . 2]" 1
137 1 14 HIS HD2 1 36 LEU HB3 3.575 . 5.350 5.093 4.283 5.387 0.037 7 0 "[ . 1 . 2]" 1
138 1 14 HIS HD2 1 36 LEU MD2 3.650 . 5.500 3.897 2.726 4.518 . 0 0 "[ . 1 . 2]" 1
139 1 14 HIS HD2 1 53 GLU HB2 3.405 . 5.010 4.047 3.030 4.876 . 0 0 "[ . 1 . 2]" 1
140 1 14 HIS HD2 1 53 GLU QG 3.650 . 5.500 4.847 4.571 4.988 . 0 0 "[ . 1 . 2]" 1
141 1 15 LEU H 1 15 LEU MD1 3.490 . 5.180 3.198 1.907 3.812 . 0 0 "[ . 1 . 2]" 1
142 1 15 LEU H 1 15 LEU MD2 3.555 . 5.310 1.938 1.689 2.204 0.111 3 0 "[ . 1 . 2]" 1
143 1 15 LEU H 1 15 LEU HG 3.325 . 4.850 3.343 2.046 4.179 . 0 0 "[ . 1 . 2]" 1
144 1 15 LEU H 1 35 TRP H 3.500 . 5.200 2.879 2.750 3.069 . 0 0 "[ . 1 . 2]" 1
145 1 15 LEU H 1 35 TRP HE3 3.295 . 4.790 4.532 4.265 4.726 . 0 0 "[ . 1 . 2]" 1
146 1 15 LEU H 1 36 LEU H 3.650 . 5.500 4.933 4.785 5.071 . 0 0 "[ . 1 . 2]" 1
147 1 15 LEU H 1 36 LEU HA 3.340 . 4.880 3.446 3.253 3.717 . 0 0 "[ . 1 . 2]" 1
148 1 15 LEU HA 1 15 LEU MD2 3.500 . 5.200 3.189 3.030 3.480 . 0 0 "[ . 1 . 2]" 1
149 1 15 LEU HA 1 51 VAL HA 3.480 . 5.160 2.719 2.405 2.984 . 0 0 "[ . 1 . 2]" 1
150 1 15 LEU HA 1 51 VAL QG 3.650 . 5.500 3.920 3.681 4.123 . 0 0 "[ . 1 . 2]" 1
151 1 15 LEU HA 1 52 VAL H 3.460 . 5.120 2.165 1.817 2.652 . 0 0 "[ . 1 . 2]" 1
152 1 15 LEU HA 1 52 VAL MG1 3.650 . 5.500 4.344 3.943 4.643 . 0 0 "[ . 1 . 2]" 1
153 1 15 LEU HA 1 52 VAL MG2 3.570 . 5.340 1.895 1.759 2.574 0.041 8 0 "[ . 1 . 2]" 1
154 1 15 LEU HA 1 53 GLU H 3.650 . 5.500 3.937 3.537 4.261 . 0 0 "[ . 1 . 2]" 1
155 1 15 LEU QB 1 16 LYS H 3.650 . 5.500 2.798 2.480 3.092 . 0 0 "[ . 1 . 2]" 1
156 1 15 LEU QB 1 35 TRP HE3 3.650 . 5.500 4.219 3.489 4.847 . 0 0 "[ . 1 . 2]" 1
157 1 15 LEU QB 1 35 TRP HH2 3.650 . 5.500 3.106 2.521 3.936 . 0 0 "[ . 1 . 2]" 1
158 1 15 LEU MD1 1 37 PHE QB 3.650 . 5.500 3.031 1.830 3.991 . 0 0 "[ . 1 . 2]" 1
159 1 15 LEU MD1 1 51 VAL HA 3.370 . 4.940 2.941 1.770 4.117 0.030 1 0 "[ . 1 . 2]" 1
160 1 15 LEU MD2 1 35 TRP H 3.650 . 5.500 3.751 2.071 4.354 . 0 0 "[ . 1 . 2]" 1
161 1 15 LEU MD2 1 35 TRP HE1 3.650 . 5.500 3.453 2.359 4.247 . 0 0 "[ . 1 . 2]" 1
162 1 15 LEU HG 1 16 LYS H 3.650 . 5.500 4.907 4.442 5.280 . 0 0 "[ . 1 . 2]" 1
163 1 15 LEU HG 1 35 TRP HE1 3.270 . 4.740 4.349 3.862 4.756 0.016 11 0 "[ . 1 . 2]" 1
164 1 15 LEU HG 1 35 TRP HH2 3.185 . 4.570 3.982 3.574 4.170 . 0 0 "[ . 1 . 2]" 1
165 1 15 LEU HG 1 35 TRP HZ2 3.250 . 4.700 3.382 2.712 3.766 . 0 0 "[ . 1 . 2]" 1
166 1 15 LEU HG 1 35 TRP HZ3 3.650 . 5.500 4.884 3.561 5.630 0.130 5 0 "[ . 1 . 2]" 1
167 1 15 LEU HG 1 37 PHE QB 3.385 . 4.970 3.450 3.112 3.821 . 0 0 "[ . 1 . 2]" 1
168 1 15 LEU HG 1 37 PHE QD 3.565 . 5.330 3.580 1.891 4.630 . 0 0 "[ . 1 . 2]" 1
169 1 16 LYS H 1 16 LYS QG 3.470 . 5.140 3.858 3.592 4.075 . 0 0 "[ . 1 . 2]" 1
170 1 16 LYS H 1 17 ALA H 3.650 . 5.500 4.343 4.251 4.436 . 0 0 "[ . 1 . 2]" 1
171 1 16 LYS H 1 35 TRP HE3 3.650 . 5.500 5.320 5.104 5.518 0.018 3 0 "[ . 1 . 2]" 1
172 1 16 LYS H 1 35 TRP HH2 3.650 . 5.500 5.104 4.399 5.568 0.068 3 0 "[ . 1 . 2]" 1
173 1 16 LYS H 1 49 VAL MG2 3.250 . 4.700 3.687 3.622 3.762 . 0 0 "[ . 1 . 2]" 1
174 1 16 LYS H 1 50 GLU H 2.900 . 4.000 2.666 2.389 3.188 . 0 0 "[ . 1 . 2]" 1
175 1 16 LYS H 1 50 GLU QB 3.270 . 4.740 3.687 3.406 3.884 . 0 0 "[ . 1 . 2]" 1
176 1 16 LYS H 1 51 VAL HA 3.400 . 5.000 3.925 3.577 4.135 . 0 0 "[ . 1 . 2]" 1
177 1 16 LYS H 1 52 VAL H 3.450 . 5.100 3.875 3.650 4.349 . 0 0 "[ . 1 . 2]" 1
178 1 16 LYS H 1 52 VAL MG1 3.650 . 5.500 4.581 4.533 4.648 . 0 0 "[ . 1 . 2]" 1
179 1 16 LYS H 1 52 VAL MG2 3.185 . 4.570 2.052 1.920 2.154 . 0 0 "[ . 1 . 2]" 1
180 1 16 LYS HA 1 17 ALA H 2.645 . 3.490 2.212 2.191 2.234 . 0 0 "[ . 1 . 2]" 1
181 1 16 LYS HA 1 34 GLU HA 2.900 . 4.000 1.862 1.811 2.009 . 0 0 "[ . 1 . 2]" 1
182 1 16 LYS HA 1 35 TRP H 3.370 . 4.940 3.564 3.382 3.675 . 0 0 "[ . 1 . 2]" 1
183 1 16 LYS HA 1 35 TRP HE3 3.305 . 4.810 3.544 3.268 3.707 . 0 0 "[ . 1 . 2]" 1
184 1 16 LYS HA 1 35 TRP HZ3 3.440 . 5.080 3.414 3.076 3.663 . 0 0 "[ . 1 . 2]" 1
185 1 16 LYS HA 1 52 VAL MG2 3.650 . 5.500 3.139 2.894 3.426 . 0 0 "[ . 1 . 2]" 1
186 1 16 LYS QB 1 17 ALA H 3.080 . 4.360 3.752 3.580 3.901 . 0 0 "[ . 1 . 2]" 1
187 1 16 LYS QB 1 34 GLU HA 3.505 . 5.210 4.017 3.703 4.111 . 0 0 "[ . 1 . 2]" 1
188 1 16 LYS QG 1 17 ALA H 3.565 . 5.330 3.279 2.864 3.513 . 0 0 "[ . 1 . 2]" 1
189 1 16 LYS QG 1 34 GLU H 3.290 . 4.780 4.282 4.079 4.416 . 0 0 "[ . 1 . 2]" 1
190 1 16 LYS QG 1 52 VAL MG2 3.110 . 4.420 2.768 2.216 3.263 . 0 0 "[ . 1 . 2]" 1
191 1 17 ALA H 1 17 ALA MB 2.750 . 3.700 1.968 1.932 2.049 . 0 0 "[ . 1 . 2]" 1
192 1 17 ALA H 1 18 LEU H 3.650 . 5.500 4.433 4.327 4.498 . 0 0 "[ . 1 . 2]" 1
193 1 17 ALA H 1 34 GLU HA 3.295 . 4.790 2.732 2.391 3.126 . 0 0 "[ . 1 . 2]" 1
194 1 17 ALA H 1 35 TRP HE3 3.370 . 4.940 2.932 2.718 3.098 . 0 0 "[ . 1 . 2]" 1
195 1 17 ALA H 1 35 TRP HH2 3.650 . 5.500 4.593 4.336 4.844 . 0 0 "[ . 1 . 2]" 1
196 1 17 ALA H 1 35 TRP HZ3 2.995 . 4.190 2.196 1.977 2.393 . 0 0 "[ . 1 . 2]" 1
197 1 17 ALA H 1 49 VAL MG1 3.625 . 5.450 4.126 4.006 4.271 . 0 0 "[ . 1 . 2]" 1
198 1 17 ALA HA 1 18 LEU H 2.645 . 3.490 2.179 2.141 2.215 . 0 0 "[ . 1 . 2]" 1
199 1 17 ALA HA 1 35 TRP HH2 3.130 . 4.460 3.563 3.417 3.667 . 0 0 "[ . 1 . 2]" 1
200 1 17 ALA HA 1 35 TRP HZ3 3.650 . 5.500 2.614 2.259 2.858 . 0 0 "[ . 1 . 2]" 1
201 1 17 ALA HA 1 49 VAL H 3.170 . 4.540 4.563 4.454 4.647 0.107 17 0 "[ . 1 . 2]" 1
202 1 17 ALA HA 1 49 VAL MG1 3.130 . 4.460 1.858 1.782 1.941 0.018 9 0 "[ . 1 . 2]" 1
203 1 17 ALA MB 1 18 LEU H 3.130 . 4.460 3.403 3.329 3.501 . 0 0 "[ . 1 . 2]" 1
204 1 17 ALA MB 1 33 ASP H 3.065 . 4.330 3.351 3.189 3.454 . 0 0 "[ . 1 . 2]" 1
205 1 17 ALA MB 1 33 ASP HB2 3.350 . 4.900 1.943 1.700 3.033 0.100 19 0 "[ . 1 . 2]" 1
206 1 17 ALA MB 1 33 ASP HB3 3.480 . 5.160 2.558 1.729 3.028 0.071 4 0 "[ . 1 . 2]" 1
207 1 17 ALA MB 1 35 TRP HE3 3.335 . 4.870 2.936 2.530 3.166 . 0 0 "[ . 1 . 2]" 1
208 1 17 ALA MB 1 35 TRP HH2 3.180 . 4.560 3.345 2.841 3.699 . 0 0 "[ . 1 . 2]" 1
209 1 17 ALA MB 1 35 TRP HZ3 2.920 . 4.040 2.090 1.845 2.393 . 0 0 "[ . 1 . 2]" 1
210 1 17 ALA MB 1 49 VAL MG1 3.030 . 4.260 2.355 2.203 2.476 . 0 0 "[ . 1 . 2]" 1
211 1 18 LEU H 1 18 LEU QB 2.925 . 4.050 2.173 2.056 2.390 . 0 0 "[ . 1 . 2]" 1
212 1 18 LEU H 1 18 LEU MD1 3.570 . 5.340 4.042 3.510 4.431 . 0 0 "[ . 1 . 2]" 1
213 1 18 LEU H 1 18 LEU MD2 3.220 . 4.640 3.057 2.461 3.744 . 0 0 "[ . 1 . 2]" 1
214 1 18 LEU H 1 35 TRP HH2 3.650 . 5.500 5.482 5.298 5.587 0.087 6 0 "[ . 1 . 2]" 1
215 1 18 LEU H 1 49 VAL H 2.955 . 4.110 4.106 4.029 4.166 0.056 12 0 "[ . 1 . 2]" 1
216 1 18 LEU H 1 49 VAL MG1 3.650 . 5.500 2.583 2.343 2.999 . 0 0 "[ . 1 . 2]" 1
217 1 18 LEU H 1 50 GLU H 3.650 . 5.500 4.073 3.720 4.321 . 0 0 "[ . 1 . 2]" 1
218 1 18 LEU HA 1 18 LEU MD1 3.315 . 4.830 2.772 1.920 3.852 . 0 0 "[ . 1 . 2]" 1
219 1 18 LEU HA 1 18 LEU MD2 3.115 . 4.430 2.066 1.842 3.690 . 0 0 "[ . 1 . 2]" 1
220 1 18 LEU QB 1 19 LEU H 3.200 . 4.600 3.795 3.728 3.967 . 0 0 "[ . 1 . 2]" 1
221 1 18 LEU QB 1 48 GLU HA 3.230 . 4.660 4.002 3.613 4.284 . 0 0 "[ . 1 . 2]" 1
222 1 18 LEU QB 1 49 VAL H 3.495 . 5.190 4.387 4.252 4.602 . 0 0 "[ . 1 . 2]" 1
223 1 18 LEU QB 1 50 GLU H 3.630 . 5.460 4.330 3.250 4.835 . 0 0 "[ . 1 . 2]" 1
224 1 18 LEU MD2 1 19 LEU H 3.400 . 5.000 3.886 3.639 4.196 . 0 0 "[ . 1 . 2]" 1
225 1 18 LEU MD2 1 50 GLU H 3.650 . 5.500 4.000 3.045 4.593 . 0 0 "[ . 1 . 2]" 1
226 1 19 LEU H 1 19 LEU HG 3.515 . 5.230 4.878 4.082 5.161 . 0 0 "[ . 1 . 2]" 1
227 1 19 LEU HA 1 20 ASP H 2.650 . 3.500 2.304 2.235 2.536 . 0 0 "[ . 1 . 2]" 1
228 1 19 LEU QB 1 20 ASP H 3.055 . 4.310 3.373 2.296 3.724 . 0 0 "[ . 1 . 2]" 1
229 1 19 LEU QD 1 20 ASP H 3.155 . 4.510 2.259 1.693 3.182 0.107 8 0 "[ . 1 . 2]" 1
230 1 19 LEU HG 1 20 ASP H 3.395 . 4.990 3.941 2.243 4.715 . 0 0 "[ . 1 . 2]" 1
231 1 19 LEU HG 1 21 PHE HB2 3.450 . 5.100 4.929 4.196 5.164 0.064 16 0 "[ . 1 . 2]" 1
232 1 19 LEU HG 1 21 PHE QD 3.650 . 5.500 3.760 3.320 4.386 . 0 0 "[ . 1 . 2]" 1
233 1 19 LEU HG 1 48 GLU HA 3.425 . 5.050 5.008 4.170 5.122 0.072 7 0 "[ . 1 . 2]" 1
234 1 19 LEU HG 1 48 GLU QG 3.325 . 4.850 3.696 3.127 4.236 . 0 0 "[ . 1 . 2]" 1
235 1 20 ASP H 1 20 ASP HB2 2.975 . 4.150 2.444 1.957 3.615 . 0 0 "[ . 1 . 2]" 1
236 1 20 ASP H 1 20 ASP HB3 2.875 . 3.950 3.099 2.326 3.580 . 0 0 "[ . 1 . 2]" 1
237 1 20 ASP H 1 21 PHE H 3.200 . 4.600 4.321 4.215 4.469 . 0 0 "[ . 1 . 2]" 1
238 1 20 ASP H 1 30 VAL HA 3.500 . 5.200 5.094 4.781 5.249 0.049 19 0 "[ . 1 . 2]" 1
239 1 20 ASP H 1 31 ALA H 3.585 . 5.370 4.307 3.862 4.726 . 0 0 "[ . 1 . 2]" 1
240 1 20 ASP HA 1 21 PHE H 2.545 . 3.290 2.252 2.216 2.284 . 0 0 "[ . 1 . 2]" 1
241 1 20 ASP HA 1 30 VAL MG1 3.425 . 5.050 3.637 3.292 3.925 . 0 0 "[ . 1 . 2]" 1
242 1 20 ASP HA 1 31 ALA H 2.900 . 4.000 2.922 2.310 3.340 . 0 0 "[ . 1 . 2]" 1
243 1 20 ASP HB2 1 21 PHE H 3.275 . 4.750 4.478 3.954 4.677 . 0 0 "[ . 1 . 2]" 1
244 1 20 ASP HB3 1 21 PHE H 3.360 . 4.920 4.115 3.680 4.562 . 0 0 "[ . 1 . 2]" 1
245 1 21 PHE H 1 21 PHE QD 3.165 . 4.530 4.108 3.871 4.285 . 0 0 "[ . 1 . 2]" 1
246 1 21 PHE H 1 29 VAL HB 3.650 . 5.500 4.801 4.616 4.985 . 0 0 "[ . 1 . 2]" 1
247 1 21 PHE H 1 29 VAL MG1 3.595 . 5.390 4.069 3.737 4.267 . 0 0 "[ . 1 . 2]" 1
248 1 21 PHE H 1 29 VAL MG2 3.585 . 5.370 1.975 1.786 2.231 0.014 7 0 "[ . 1 . 2]" 1
249 1 21 PHE HA 1 22 GLU H 2.650 . 3.500 2.280 2.202 2.561 . 0 0 "[ . 1 . 2]" 1
250 1 21 PHE HB2 1 22 GLU H 3.265 . 4.830 4.569 4.358 4.692 . 0 0 "[ . 1 . 2]" 1
251 1 21 PHE HB2 1 29 VAL HB 3.220 . 4.640 4.501 4.300 4.649 0.009 9 0 "[ . 1 . 2]" 1
252 1 21 PHE HB2 1 29 VAL MG2 3.650 . 5.500 1.786 1.703 1.890 0.097 5 0 "[ . 1 . 2]" 1
253 1 21 PHE HB3 1 22 GLU H 3.140 . 4.480 3.959 3.522 4.319 . 0 0 "[ . 1 . 2]" 1
254 1 21 PHE HB3 1 23 ASP H 3.540 . 5.280 5.164 4.877 5.335 0.055 7 0 "[ . 1 . 2]" 1
255 1 21 PHE HB3 1 28 LYS HG3 3.620 . 5.440 5.041 3.932 5.567 0.127 4 0 "[ . 1 . 2]" 1
256 1 21 PHE QD 1 22 GLU H 3.370 . 4.940 3.438 1.891 4.582 . 0 0 "[ . 1 . 2]" 1
257 1 21 PHE QD 1 29 VAL MG1 3.400 . 5.000 3.507 2.861 3.883 . 0 0 "[ . 1 . 2]" 1
258 1 21 PHE QD 1 29 VAL MG2 3.120 . 4.440 3.233 2.701 3.567 . 0 0 "[ . 1 . 2]" 1
259 1 22 GLU H 1 22 GLU QB 2.950 . 4.100 2.449 2.135 3.069 . 0 0 "[ . 1 . 2]" 1
260 1 22 GLU H 1 23 ASP H 3.650 . 5.500 4.350 3.988 4.534 . 0 0 "[ . 1 . 2]" 1
261 1 22 GLU HA 1 28 LYS QB 3.050 . 4.300 2.253 1.731 3.203 0.069 5 0 "[ . 1 . 2]" 1
262 1 22 GLU HA 1 28 LYS HG3 3.520 . 5.240 3.613 1.893 5.274 0.034 10 0 "[ . 1 . 2]" 1
263 1 22 GLU HA 1 29 VAL H 3.210 . 4.620 3.647 2.795 4.251 . 0 0 "[ . 1 . 2]" 1
264 1 22 GLU QB 1 23 ASP H 3.050 . 4.300 3.673 3.243 3.942 . 0 0 "[ . 1 . 2]" 1
265 1 23 ASP H 1 23 ASP HB3 2.945 . 4.090 2.996 2.493 3.413 . 0 0 "[ . 1 . 2]" 1
266 1 23 ASP H 1 25 ASP H 3.650 . 5.500 4.872 4.156 5.526 0.026 12 0 "[ . 1 . 2]" 1
267 1 23 ASP H 1 27 ASP H 3.445 . 5.090 4.671 3.641 5.134 0.044 16 0 "[ . 1 . 2]" 1
268 1 23 ASP HB2 1 24 LYS H 3.300 . 4.800 4.181 3.855 4.494 . 0 0 "[ . 1 . 2]" 1
269 1 23 ASP HB2 1 25 ASP H 3.650 . 5.500 4.163 3.320 4.836 . 0 0 "[ . 1 . 2]" 1
270 1 23 ASP HB2 1 27 ASP H 3.650 . 5.500 4.424 3.257 5.514 0.014 13 0 "[ . 1 . 2]" 1
271 1 23 ASP HB2 1 28 LYS QB 3.560 . 5.320 3.535 1.828 4.577 . 0 0 "[ . 1 . 2]" 1
272 1 23 ASP HB3 1 24 LYS H 3.060 . 4.320 3.274 2.428 4.018 . 0 0 "[ . 1 . 2]" 1
273 1 23 ASP HB3 1 28 LYS QB 3.650 . 5.500 4.169 3.361 4.797 . 0 0 "[ . 1 . 2]" 1
274 1 24 LYS H 1 24 LYS QB 2.920 . 4.040 2.234 2.016 2.539 . 0 0 "[ . 1 . 2]" 1
275 1 24 LYS H 1 24 LYS QG 3.100 . 4.400 3.318 1.856 4.029 . 0 0 "[ . 1 . 2]" 1
276 1 24 LYS H 1 25 ASP H 3.245 . 4.690 2.566 2.281 2.776 . 0 0 "[ . 1 . 2]" 1
277 1 24 LYS QB 1 25 ASP H 3.315 . 4.830 3.109 2.630 3.863 . 0 0 "[ . 1 . 2]" 1
278 1 24 LYS QG 1 25 ASP H 3.230 . 4.660 3.766 2.056 4.265 . 0 0 "[ . 1 . 2]" 1
279 1 25 ASP H 1 25 ASP HB2 2.900 . 4.000 2.320 1.936 3.631 . 0 0 "[ . 1 . 2]" 1
280 1 25 ASP H 1 25 ASP HB3 2.635 . 3.470 2.963 2.169 3.512 0.042 2 0 "[ . 1 . 2]" 1
281 1 25 ASP HA 1 27 ASP H 3.650 . 5.500 4.682 3.435 5.531 0.031 6 0 "[ . 1 . 2]" 1
282 1 25 ASP HB3 1 26 GLY H 3.440 . 5.080 3.273 2.662 4.079 . 0 0 "[ . 1 . 2]" 1
283 1 25 ASP HB3 1 27 ASP H 3.350 . 4.900 3.500 2.318 4.942 0.042 10 0 "[ . 1 . 2]" 1
284 1 27 ASP H 1 27 ASP HB2 2.675 . 3.550 2.632 1.944 3.668 0.118 6 0 "[ . 1 . 2]" 1
285 1 27 ASP H 1 27 ASP HB3 2.915 . 4.030 3.336 2.412 4.050 0.020 12 0 "[ . 1 . 2]" 1
286 1 27 ASP H 1 28 LYS H 3.650 . 5.500 3.865 2.202 4.706 . 0 0 "[ . 1 . 2]" 1
287 1 27 ASP HA 1 28 LYS H 2.640 . 3.480 2.666 2.215 3.562 0.082 7 0 "[ . 1 . 2]" 1
288 1 27 ASP HB2 1 28 LYS H 3.325 . 4.850 4.003 2.383 4.700 . 0 0 "[ . 1 . 2]" 1
289 1 27 ASP HB3 1 28 LYS H 3.005 . 4.210 3.460 1.869 4.277 0.067 9 0 "[ . 1 . 2]" 1
290 1 28 LYS H 1 28 LYS QB 2.595 . 3.390 2.693 2.001 3.226 . 0 0 "[ . 1 . 2]" 1
291 1 28 LYS H 1 28 LYS HG2 3.365 . 4.930 3.925 2.093 4.947 0.017 17 0 "[ . 1 . 2]" 1
292 1 28 LYS H 1 28 LYS HG3 3.510 . 5.220 4.112 2.022 5.110 . 0 0 "[ . 1 . 2]" 1
293 1 28 LYS HA 1 29 VAL H 2.660 . 3.520 2.645 2.206 3.567 0.047 17 0 "[ . 1 . 2]" 1
294 1 28 LYS QB 1 29 VAL H 3.075 . 4.350 3.067 1.759 4.010 0.041 15 0 "[ . 1 . 2]" 1
295 1 28 LYS HG3 1 29 VAL H 3.240 . 4.680 3.320 2.109 4.413 . 0 0 "[ . 1 . 2]" 1
296 1 29 VAL H 1 29 VAL MG1 2.665 . 3.530 2.019 1.807 2.309 . 0 0 "[ . 1 . 2]" 1
297 1 29 VAL H 1 29 VAL MG2 2.905 . 4.010 2.577 2.252 3.003 . 0 0 "[ . 1 . 2]" 1
298 1 29 VAL H 1 30 VAL H 3.500 . 5.200 4.560 4.489 4.631 . 0 0 "[ . 1 . 2]" 1
299 1 29 VAL HA 1 29 VAL MG1 2.985 . 4.170 2.675 2.513 2.892 . 0 0 "[ . 1 . 2]" 1
300 1 29 VAL HA 1 29 VAL MG2 2.840 . 3.880 3.140 3.038 3.176 . 0 0 "[ . 1 . 2]" 1
301 1 29 VAL HA 1 30 VAL H 2.550 . 3.300 2.304 2.237 2.425 . 0 0 "[ . 1 . 2]" 1
302 1 29 VAL HA 1 30 VAL MG2 3.120 . 4.440 3.445 3.224 3.549 . 0 0 "[ . 1 . 2]" 1
303 1 29 VAL HB 1 30 VAL H 2.900 . 4.000 3.241 2.895 3.596 . 0 0 "[ . 1 . 2]" 1
304 1 29 VAL HB 1 33 ASP H 3.345 . 4.890 4.742 4.304 4.961 0.071 17 0 "[ . 1 . 2]" 1
305 1 29 VAL HB 1 33 ASP HA 3.370 . 4.940 4.688 3.556 4.985 0.045 1 0 "[ . 1 . 2]" 1
306 1 29 VAL HB 1 33 ASP HB3 3.380 . 4.960 4.564 3.822 4.955 . 0 0 "[ . 1 . 2]" 1
307 1 29 VAL MG1 1 30 VAL H 3.540 . 5.280 4.304 4.170 4.436 . 0 0 "[ . 1 . 2]" 1
308 1 29 VAL MG2 1 30 VAL H 3.155 . 4.510 3.271 3.080 3.485 . 0 0 "[ . 1 . 2]" 1
309 1 29 VAL MG2 1 33 ASP H 3.650 . 5.500 4.311 3.501 4.427 . 0 0 "[ . 1 . 2]" 1
310 1 29 VAL MG2 1 81 GLU QB 3.435 . 5.070 3.290 2.261 3.747 . 0 0 "[ . 1 . 2]" 1
311 1 29 VAL MG2 1 81 GLU QG 3.595 . 5.390 3.097 2.010 3.991 . 0 0 "[ . 1 . 2]" 1
312 1 30 VAL H 1 30 VAL MG1 2.725 . 3.650 2.925 2.831 3.004 . 0 0 "[ . 1 . 2]" 1
313 1 30 VAL H 1 30 VAL MG2 2.900 . 4.000 1.931 1.848 2.053 . 0 0 "[ . 1 . 2]" 1
314 1 30 VAL H 1 31 ALA H 3.315 . 4.830 3.640 3.448 3.844 . 0 0 "[ . 1 . 2]" 1
315 1 30 VAL H 1 33 ASP H 3.650 . 5.500 5.306 4.571 5.575 0.075 11 0 "[ . 1 . 2]" 1
316 1 30 VAL HA 1 30 VAL MG1 2.695 . 3.590 2.249 2.150 2.360 . 0 0 "[ . 1 . 2]" 1
317 1 30 VAL HA 1 30 VAL MG2 2.790 . 3.780 3.181 3.175 3.194 . 0 0 "[ . 1 . 2]" 1
318 1 30 VAL HA 1 31 ALA H 2.560 . 3.320 2.376 2.305 2.428 . 0 0 "[ . 1 . 2]" 1
319 1 30 VAL HA 1 32 GLY H 3.500 . 5.200 5.008 4.577 5.220 0.020 10 0 "[ . 1 . 2]" 1
320 1 30 VAL HB 1 31 ALA H 2.995 . 4.190 4.187 4.080 4.246 0.056 4 0 "[ . 1 . 2]" 1
321 1 30 VAL MG1 1 31 ALA H 3.480 . 5.160 4.257 4.208 4.298 . 0 0 "[ . 1 . 2]" 1
322 1 30 VAL MG2 1 31 ALA H 3.460 . 5.120 4.078 3.994 4.174 . 0 0 "[ . 1 . 2]" 1
323 1 31 ALA H 1 31 ALA MB 2.750 . 3.700 2.708 2.629 2.775 . 0 0 "[ . 1 . 2]" 1
324 1 31 ALA H 1 32 GLY H 3.560 . 5.320 3.287 3.051 3.459 . 0 0 "[ . 1 . 2]" 1
325 1 31 ALA HA 1 32 GLY H 2.400 . 3.000 2.581 2.489 2.778 . 0 0 "[ . 1 . 2]" 1
326 1 31 ALA HA 1 33 ASP H 3.410 . 5.020 3.925 3.815 4.154 . 0 0 "[ . 1 . 2]" 1
327 1 31 ALA MB 1 32 GLY H 3.375 . 4.950 3.739 3.724 3.748 . 0 0 "[ . 1 . 2]" 1
328 1 32 GLY H 1 33 ASP H 3.055 . 4.310 1.865 1.830 1.972 . 0 0 "[ . 1 . 2]" 1
329 1 33 ASP H 1 33 ASP HB2 2.970 . 4.140 2.536 2.211 2.869 . 0 0 "[ . 1 . 2]" 1
330 1 33 ASP H 1 33 ASP HB3 2.860 . 3.920 3.394 2.217 3.631 . 0 0 "[ . 1 . 2]" 1
331 1 33 ASP H 1 34 GLU H 3.545 . 5.290 4.639 4.603 4.694 . 0 0 "[ . 1 . 2]" 1
332 1 33 ASP HA 1 34 GLU H 2.675 . 3.550 2.328 2.273 2.410 . 0 0 "[ . 1 . 2]" 1
333 1 33 ASP HB2 1 34 GLU H 3.220 . 4.640 3.885 3.576 4.122 . 0 0 "[ . 1 . 2]" 1
334 1 33 ASP HB2 1 35 TRP HE3 3.535 . 5.270 4.455 3.880 5.315 0.045 18 0 "[ . 1 . 2]" 1
335 1 33 ASP HB2 1 35 TRP HZ3 3.585 . 5.370 4.351 3.657 5.439 0.069 5 0 "[ . 1 . 2]" 1
336 1 33 ASP HB2 1 76 ASP H 3.370 . 4.940 4.976 4.837 5.025 0.085 19 0 "[ . 1 . 2]" 1
337 1 33 ASP HB3 1 34 GLU H 3.115 . 4.430 3.154 2.699 4.126 . 0 0 "[ . 1 . 2]" 1
338 1 33 ASP HB3 1 35 TRP HE3 3.190 . 4.580 4.254 3.863 4.562 . 0 0 "[ . 1 . 2]" 1
339 1 33 ASP HB3 1 35 TRP HZ3 3.415 . 5.030 4.816 3.832 5.100 0.070 11 0 "[ . 1 . 2]" 1
340 1 34 GLU H 1 34 GLU QB 2.985 . 4.170 2.677 2.553 3.186 . 0 0 "[ . 1 . 2]" 1
341 1 34 GLU H 1 34 GLU QG 3.445 . 5.090 3.911 2.113 4.178 . 0 0 "[ . 1 . 2]" 1
342 1 34 GLU H 1 76 ASP H 3.065 . 4.330 3.751 3.362 4.342 0.012 8 0 "[ . 1 . 2]" 1
343 1 34 GLU H 1 101 PHE QD 3.650 . 5.500 4.169 3.448 5.201 . 0 0 "[ . 1 . 2]" 1
344 1 34 GLU H 1 101 PHE QE 3.650 . 5.500 3.289 2.477 4.572 . 0 0 "[ . 1 . 2]" 1
345 1 34 GLU H 1 101 PHE HZ 3.650 . 5.500 4.897 4.231 5.523 0.023 12 0 "[ . 1 . 2]" 1
346 1 34 GLU HA 1 35 TRP H 2.670 . 3.540 2.252 2.212 2.305 . 0 0 "[ . 1 . 2]" 1
347 1 34 GLU QB 1 35 TRP H 3.060 . 4.320 3.660 3.115 3.819 . 0 0 "[ . 1 . 2]" 1
348 1 34 GLU QB 1 101 PHE QE 3.385 . 4.970 2.961 1.960 4.214 . 0 0 "[ . 1 . 2]" 1
349 1 34 GLU QB 1 101 PHE HZ 3.635 . 5.470 3.323 1.997 4.047 . 0 0 "[ . 1 . 2]" 1
350 1 34 GLU QG 1 35 TRP H 3.650 . 5.500 2.727 2.065 4.216 . 0 0 "[ . 1 . 2]" 1
351 1 34 GLU QG 1 100 VAL QG 3.505 . 5.210 2.069 1.689 2.848 0.111 2 0 "[ . 1 . 2]" 1
352 1 35 TRP H 1 35 TRP HA 2.745 . 3.690 2.952 2.906 2.982 . 0 0 "[ . 1 . 2]" 1
353 1 35 TRP H 1 35 TRP HE3 3.275 . 4.750 2.328 1.987 2.729 . 0 0 "[ . 1 . 2]" 1
354 1 35 TRP H 1 35 TRP HZ3 3.650 . 5.500 4.166 3.850 4.502 . 0 0 "[ . 1 . 2]" 1
355 1 35 TRP HB2 1 36 LEU H 2.920 . 4.040 2.617 2.421 2.743 . 0 0 "[ . 1 . 2]" 1
356 1 35 TRP HB2 1 75 TRP HA 3.230 . 4.660 4.281 2.806 4.687 0.027 13 0 "[ . 1 . 2]" 1
357 1 35 TRP HB2 1 75 TRP HE1 3.470 . 5.140 2.406 1.951 3.160 . 0 0 "[ . 1 . 2]" 1
358 1 35 TRP HB2 1 75 TRP HZ2 3.490 . 5.180 5.049 4.518 5.253 0.073 16 0 "[ . 1 . 2]" 1
359 1 35 TRP HB2 1 76 ASP H 2.930 . 4.060 3.779 2.953 4.087 0.027 7 0 "[ . 1 . 2]" 1
360 1 35 TRP HB3 1 35 TRP HD1 2.910 . 4.020 3.733 3.665 3.791 . 0 0 "[ . 1 . 2]" 1
361 1 35 TRP HB3 1 36 LEU H 2.910 . 4.020 3.974 3.843 4.061 0.041 18 0 "[ . 1 . 2]" 1
362 1 35 TRP HB3 1 75 TRP HA 3.370 . 4.940 3.186 1.808 3.682 . 0 0 "[ . 1 . 2]" 1
363 1 35 TRP HB3 1 75 TRP HD1 2.890 . 3.980 2.311 1.800 3.283 0.000 3 0 "[ . 1 . 2]" 1
364 1 35 TRP HD1 1 36 LEU H 3.140 . 4.480 3.142 2.928 3.332 . 0 0 "[ . 1 . 2]" 1
365 1 35 TRP HE1 1 36 LEU H 3.650 . 5.500 5.356 5.119 5.535 0.035 15 0 "[ . 1 . 2]" 1
366 1 35 TRP HE3 1 76 ASP H 3.650 . 5.500 3.961 3.469 4.293 . 0 0 "[ . 1 . 2]" 1
367 1 36 LEU H 1 36 LEU HB3 2.985 . 4.170 2.509 2.179 3.230 . 0 0 "[ . 1 . 2]" 1
368 1 36 LEU H 1 36 LEU MD1 3.505 . 5.210 4.124 3.950 4.312 . 0 0 "[ . 1 . 2]" 1
369 1 36 LEU H 1 36 LEU MD2 3.550 . 5.300 3.953 2.758 4.307 . 0 0 "[ . 1 . 2]" 1
370 1 36 LEU H 1 37 PHE H 3.650 . 5.500 4.619 4.584 4.647 . 0 0 "[ . 1 . 2]" 1
371 1 36 LEU H 1 100 VAL QG 3.525 . 5.250 2.715 1.997 3.475 . 0 0 "[ . 1 . 2]" 1
372 1 36 LEU HA 1 36 LEU MD1 3.135 . 4.470 1.989 1.809 2.346 . 0 0 "[ . 1 . 2]" 1
373 1 36 LEU HA 1 37 PHE H 2.620 . 3.440 2.361 2.317 2.423 . 0 0 "[ . 1 . 2]" 1
374 1 36 LEU HA 1 100 VAL H 3.650 . 5.500 5.309 4.469 5.554 0.054 10 0 "[ . 1 . 2]" 1
375 1 36 LEU HA 1 100 VAL QG 3.435 . 5.070 3.390 2.956 3.800 . 0 0 "[ . 1 . 2]" 1
376 1 36 LEU HB2 1 37 PHE H 3.415 . 5.030 4.043 3.876 4.345 . 0 0 "[ . 1 . 2]" 1
377 1 36 LEU HB2 1 100 VAL H 3.650 . 5.500 3.562 2.966 3.977 . 0 0 "[ . 1 . 2]" 1
378 1 36 LEU MD1 1 37 PHE H 2.965 . 4.130 2.085 1.816 3.046 . 0 0 "[ . 1 . 2]" 1
379 1 36 LEU MD2 1 37 PHE H 3.260 . 4.720 3.843 3.640 3.994 . 0 0 "[ . 1 . 2]" 1
380 1 37 PHE H 1 37 PHE QB 2.970 . 4.140 2.510 2.411 2.623 . 0 0 "[ . 1 . 2]" 1
381 1 37 PHE H 1 37 PHE QD 3.650 . 5.500 4.263 4.229 4.345 . 0 0 "[ . 1 . 2]" 1
382 1 37 PHE HA 1 37 PHE QD 3.165 . 4.530 2.262 1.918 3.049 . 0 0 "[ . 1 . 2]" 1
383 1 37 PHE HA 1 38 GLU H 2.535 . 3.270 2.225 2.199 2.248 . 0 0 "[ . 1 . 2]" 1
384 1 37 PHE QB 1 38 GLU H 3.270 . 4.740 3.936 3.884 3.982 . 0 0 "[ . 1 . 2]" 1
385 1 37 PHE QD 1 38 GLU H 3.535 . 5.270 2.382 1.971 3.349 . 0 0 "[ . 1 . 2]" 1
386 1 37 PHE QE 1 43 TYR H 3.650 . 5.500 4.752 4.281 5.274 . 0 0 "[ . 1 . 2]" 1
387 1 37 PHE QE 1 43 TYR QD 3.645 . 5.490 2.537 1.845 3.820 . 0 0 "[ . 1 . 2]" 1
388 1 38 GLU H 1 38 GLU HB2 2.810 . 3.820 2.655 2.209 3.617 . 0 0 "[ . 1 . 2]" 1
389 1 38 GLU H 1 38 GLU HB3 2.765 . 3.730 2.483 2.093 3.631 . 0 0 "[ . 1 . 2]" 1
390 1 38 GLU H 1 38 GLU QG 3.230 . 4.660 3.795 1.996 4.045 . 0 0 "[ . 1 . 2]" 1
391 1 38 GLU H 1 97 LEU QD 3.650 . 5.500 3.719 3.261 4.114 . 0 0 "[ . 1 . 2]" 1
392 1 38 GLU HA 1 38 GLU QG 2.970 . 4.140 2.457 2.133 3.366 . 0 0 "[ . 1 . 2]" 1
393 1 38 GLU HA 1 39 GLY H 2.595 . 3.390 2.247 2.206 2.313 . 0 0 "[ . 1 . 2]" 1
394 1 38 GLU HA 1 97 LEU QD 3.640 . 5.480 2.775 2.109 3.205 . 0 0 "[ . 1 . 2]" 1
395 1 38 GLU HB2 1 39 GLY H 3.190 . 4.580 4.222 3.249 4.518 . 0 0 "[ . 1 . 2]" 1
396 1 38 GLU HB2 1 88 TRP HZ2 3.650 . 5.500 4.259 3.443 5.539 0.039 10 0 "[ . 1 . 2]" 1
397 1 38 GLU HB2 1 97 LEU QD 2.705 . 3.610 1.995 1.689 2.646 0.111 5 0 "[ . 1 . 2]" 1
398 1 38 GLU HB3 1 39 GLY H 3.480 . 5.160 4.116 3.332 4.392 . 0 0 "[ . 1 . 2]" 1
399 1 38 GLU QG 1 39 GLY H 3.370 . 4.940 2.960 2.225 4.472 . 0 0 "[ . 1 . 2]" 1
400 1 38 GLU QG 1 88 TRP HZ2 3.635 . 5.470 4.470 3.329 4.938 . 0 0 "[ . 1 . 2]" 1
401 1 38 GLU QG 1 97 LEU QD 2.885 . 3.970 1.929 1.614 2.512 0.186 12 0 "[ . 1 . 2]" 1
402 1 39 GLY HA2 1 41 GLY H 3.450 . 5.100 3.631 2.996 4.536 . 0 0 "[ . 1 . 2]" 1
403 1 39 GLY HA3 1 41 GLY H 3.585 . 5.370 4.301 3.810 5.406 0.036 19 0 "[ . 1 . 2]" 1
404 1 40 PRO HB3 1 41 GLY H 3.335 . 4.870 4.416 3.774 4.727 . 0 0 "[ . 1 . 2]" 1
405 1 40 PRO QG 1 41 GLY H 3.550 . 5.300 3.407 1.840 4.626 . 0 0 "[ . 1 . 2]" 1
406 1 41 GLY H 1 42 THR H 3.650 . 5.500 3.556 2.611 4.676 . 0 0 "[ . 1 . 2]" 1
407 1 42 THR H 1 42 THR MG 3.225 . 4.650 2.487 1.856 3.358 . 0 0 "[ . 1 . 2]" 1
408 1 42 THR MG 1 43 TYR H 3.575 . 5.350 4.222 3.135 4.408 . 0 0 "[ . 1 . 2]" 1
409 1 43 TYR H 1 43 TYR HB2 2.920 . 4.040 2.868 2.744 3.070 . 0 0 "[ . 1 . 2]" 1
410 1 43 TYR H 1 43 TYR HB3 2.715 . 3.630 2.161 2.035 2.253 . 0 0 "[ . 1 . 2]" 1
411 1 43 TYR H 1 43 TYR QD 3.165 . 4.530 3.972 3.759 4.119 . 0 0 "[ . 1 . 2]" 1
412 1 43 TYR H 1 44 ILE H 3.515 . 5.230 4.506 4.376 4.604 . 0 0 "[ . 1 . 2]" 1
413 1 43 TYR HA 1 43 TYR QD 2.905 . 4.010 2.698 2.138 3.139 . 0 0 "[ . 1 . 2]" 1
414 1 43 TYR HA 1 43 TYR QE 3.650 . 5.500 4.733 4.447 4.982 . 0 0 "[ . 1 . 2]" 1
415 1 43 TYR HA 1 44 ILE H 2.500 . 3.200 2.219 2.198 2.242 . 0 0 "[ . 1 . 2]" 1
416 1 43 TYR HB2 1 44 ILE H 3.450 . 5.100 4.236 4.017 4.411 . 0 0 "[ . 1 . 2]" 1
417 1 43 TYR HB3 1 44 ILE H 3.345 . 4.890 4.454 4.320 4.589 . 0 0 "[ . 1 . 2]" 1
418 1 43 TYR QD 1 44 ILE H 2.990 . 4.180 3.306 2.290 3.852 . 0 0 "[ . 1 . 2]" 1
419 1 43 TYR QE 1 44 ILE H 3.650 . 5.500 4.493 3.676 5.071 . 0 0 "[ . 1 . 2]" 1
420 1 43 TYR QE 1 45 PRO HA 3.235 . 4.670 3.645 3.090 3.842 . 0 0 "[ . 1 . 2]" 1
421 1 43 TYR QE 1 45 PRO QB 3.610 . 5.420 3.983 3.317 4.475 . 0 0 "[ . 1 . 2]" 1
422 1 43 TYR QE 1 46 ARG H 3.390 . 4.980 4.232 3.638 4.721 . 0 0 "[ . 1 . 2]" 1
423 1 43 TYR QE 1 51 VAL QG 3.525 . 5.250 2.105 1.735 2.705 0.065 8 0 "[ . 1 . 2]" 1
424 1 44 ILE H 1 44 ILE HB 2.885 . 3.970 2.411 2.208 2.811 . 0 0 "[ . 1 . 2]" 1
425 1 44 ILE H 1 44 ILE MD 3.475 . 5.150 3.001 1.851 4.149 . 0 0 "[ . 1 . 2]" 1
426 1 44 ILE H 1 44 ILE HG12 3.240 . 4.680 3.652 2.004 4.507 . 0 0 "[ . 1 . 2]" 1
427 1 44 ILE H 1 44 ILE HG13 3.370 . 4.940 3.431 2.498 4.170 . 0 0 "[ . 1 . 2]" 1
428 1 44 ILE HA 1 44 ILE MG 2.915 . 4.030 2.445 2.019 2.616 . 0 0 "[ . 1 . 2]" 1
429 1 44 ILE MG 1 46 ARG H 3.650 . 5.500 3.996 3.464 4.447 . 0 0 "[ . 1 . 2]" 1
430 1 45 PRO QB 1 46 ARG H 3.195 . 4.590 3.786 3.390 3.958 . 0 0 "[ . 1 . 2]" 1
431 1 46 ARG H 1 46 ARG QB 2.970 . 4.140 2.227 1.984 2.773 . 0 0 "[ . 1 . 2]" 1
432 1 46 ARG H 1 47 LYS H 3.650 . 5.500 4.590 4.477 4.675 . 0 0 "[ . 1 . 2]" 1
433 1 46 ARG H 1 49 VAL H 3.615 . 5.430 3.738 3.338 4.157 . 0 0 "[ . 1 . 2]" 1
434 1 46 ARG HA 1 47 LYS H 2.595 . 3.390 2.327 2.254 2.443 . 0 0 "[ . 1 . 2]" 1
435 1 46 ARG HA 1 48 GLU H 3.225 . 4.650 4.100 3.834 4.357 . 0 0 "[ . 1 . 2]" 1
436 1 46 ARG QB 1 47 LYS H 3.650 . 5.500 3.123 2.656 3.660 . 0 0 "[ . 1 . 2]" 1
437 1 46 ARG QB 1 48 GLU H 3.060 . 4.320 2.604 2.105 3.187 . 0 0 "[ . 1 . 2]" 1
438 1 46 ARG QB 1 49 VAL H 3.105 . 4.410 3.326 3.070 3.834 . 0 0 "[ . 1 . 2]" 1
439 1 47 LYS H 1 47 LYS QG 3.455 . 5.110 2.837 1.862 4.019 . 0 0 "[ . 1 . 2]" 1
440 1 47 LYS H 1 48 GLU H 3.650 . 5.500 2.902 2.696 3.107 . 0 0 "[ . 1 . 2]" 1
441 1 47 LYS HA 1 49 VAL H 3.345 . 4.890 4.171 3.707 4.561 . 0 0 "[ . 1 . 2]" 1
442 1 47 LYS QG 1 48 GLU H 3.245 . 4.690 3.365 1.870 4.327 . 0 0 "[ . 1 . 2]" 1
443 1 48 GLU H 1 48 GLU QG 3.245 . 4.690 3.536 2.676 3.969 . 0 0 "[ . 1 . 2]" 1
444 1 48 GLU H 1 49 VAL H 2.910 . 4.020 2.892 2.624 3.047 . 0 0 "[ . 1 . 2]" 1
445 1 48 GLU QG 1 49 VAL H 3.320 . 4.840 4.205 3.745 4.402 . 0 0 "[ . 1 . 2]" 1
446 1 49 VAL H 1 49 VAL MG1 2.860 . 3.920 2.514 2.291 2.651 . 0 0 "[ . 1 . 2]" 1
447 1 49 VAL H 1 49 VAL MG2 2.955 . 4.110 2.452 2.331 2.608 . 0 0 "[ . 1 . 2]" 1
448 1 49 VAL H 1 50 GLU H 3.650 . 5.500 4.449 4.421 4.504 . 0 0 "[ . 1 . 2]" 1
449 1 49 VAL MG2 1 50 GLU H 3.175 . 4.550 2.855 2.634 3.363 . 0 0 "[ . 1 . 2]" 1
450 1 49 VAL MG2 1 51 VAL H 3.615 . 5.430 4.105 3.768 4.399 . 0 0 "[ . 1 . 2]" 1
451 1 50 GLU H 1 50 GLU QB 2.900 . 4.000 2.433 2.211 2.634 . 0 0 "[ . 1 . 2]" 1
452 1 50 GLU H 1 50 GLU QG 3.355 . 4.910 3.493 2.293 4.151 . 0 0 "[ . 1 . 2]" 1
453 1 50 GLU H 1 51 VAL H 3.650 . 5.500 4.380 4.283 4.536 . 0 0 "[ . 1 . 2]" 1
454 1 50 GLU QB 1 51 VAL H 3.105 . 4.410 3.324 3.115 3.678 . 0 0 "[ . 1 . 2]" 1
455 1 50 GLU QB 1 52 VAL HA 3.610 . 5.420 4.718 4.492 4.895 . 0 0 "[ . 1 . 2]" 1
456 1 50 GLU QB 1 52 VAL MG2 3.560 . 5.320 3.500 3.177 3.804 . 0 0 "[ . 1 . 2]" 1
457 1 51 VAL H 1 51 VAL QG 2.995 . 4.190 1.957 1.763 2.338 0.037 13 0 "[ . 1 . 2]" 1
458 1 51 VAL HA 1 51 VAL QG 2.810 . 3.820 2.152 2.009 2.335 . 0 0 "[ . 1 . 2]" 1
459 1 51 VAL HA 1 53 GLU H 3.165 . 4.530 4.480 4.287 4.574 0.044 19 0 "[ . 1 . 2]" 1
460 1 51 VAL HA 1 54 ILE MD 3.560 . 5.320 4.454 4.120 4.574 . 0 0 "[ . 1 . 2]" 1
461 1 51 VAL HB 1 52 VAL H 3.535 . 5.270 4.078 3.101 4.433 . 0 0 "[ . 1 . 2]" 1
462 1 51 VAL HB 1 54 ILE MD 3.590 . 5.380 4.124 2.979 4.547 . 0 0 "[ . 1 . 2]" 1
463 1 51 VAL QG 1 52 VAL H 3.285 . 4.770 2.824 2.230 3.640 . 0 0 "[ . 1 . 2]" 1
464 1 52 VAL H 1 52 VAL MG1 3.220 . 4.640 3.792 3.745 3.867 . 0 0 "[ . 1 . 2]" 1
465 1 52 VAL H 1 52 VAL MG2 2.925 . 4.050 2.296 1.966 2.791 . 0 0 "[ . 1 . 2]" 1
466 1 52 VAL H 1 53 GLU H 2.845 . 3.890 2.443 2.229 2.646 . 0 0 "[ . 1 . 2]" 1
467 1 52 VAL HA 1 52 VAL MG1 2.945 . 4.090 2.253 2.104 2.425 . 0 0 "[ . 1 . 2]" 1
468 1 52 VAL HA 1 52 VAL MG2 2.735 . 3.670 2.431 2.268 2.506 . 0 0 "[ . 1 . 2]" 1
469 1 52 VAL HB 1 53 GLU H 3.085 . 4.370 2.115 1.963 2.352 . 0 0 "[ . 1 . 2]" 1
470 1 52 VAL MG1 1 53 GLU H 3.185 . 4.570 3.269 2.993 3.584 . 0 0 "[ . 1 . 2]" 1
471 1 52 VAL MG2 1 53 GLU H 3.400 . 5.000 3.556 3.332 3.730 . 0 0 "[ . 1 . 2]" 1
472 1 53 GLU H 1 53 GLU HB2 2.895 . 3.990 2.927 2.655 3.226 . 0 0 "[ . 1 . 2]" 1
473 1 53 GLU H 1 53 GLU HB3 2.870 . 3.940 3.869 3.777 3.928 . 0 0 "[ . 1 . 2]" 1
474 1 53 GLU H 1 53 GLU QG 3.425 . 5.050 2.481 2.298 2.800 . 0 0 "[ . 1 . 2]" 1
475 1 53 GLU HA 1 53 GLU QG 2.825 . 3.850 2.876 2.585 3.207 . 0 0 "[ . 1 . 2]" 1
476 1 53 GLU HB3 1 54 ILE H 2.950 . 4.100 2.638 2.454 2.888 . 0 0 "[ . 1 . 2]" 1
477 1 54 ILE H 1 54 ILE HB 2.905 . 4.010 3.069 2.926 3.192 . 0 0 "[ . 1 . 2]" 1
478 1 54 ILE H 1 54 ILE MD 3.575 . 5.350 3.114 2.936 3.265 . 0 0 "[ . 1 . 2]" 1
479 1 54 ILE H 1 54 ILE QG 2.915 . 4.030 2.183 2.089 2.241 . 0 0 "[ . 1 . 2]" 1
480 1 54 ILE H 1 54 ILE MG 3.265 . 4.730 3.915 3.890 3.946 . 0 0 "[ . 1 . 2]" 1
481 1 54 ILE H 1 55 ILE H 3.470 . 5.140 4.399 4.291 4.489 . 0 0 "[ . 1 . 2]" 1
482 1 54 ILE HA 1 54 ILE MD 3.320 . 4.840 2.305 2.130 2.536 . 0 0 "[ . 1 . 2]" 1
483 1 54 ILE HA 1 54 ILE MG 2.970 . 4.140 2.065 1.932 2.197 . 0 0 "[ . 1 . 2]" 1
484 1 54 ILE HA 1 55 ILE H 2.570 . 3.340 2.295 2.222 2.392 . 0 0 "[ . 1 . 2]" 1
485 1 54 ILE MD 1 55 ILE H 3.650 . 5.500 4.226 4.108 4.429 . 0 0 "[ . 1 . 2]" 1
486 1 54 ILE QG 1 55 ILE H 3.650 . 5.500 4.783 4.684 4.879 . 0 0 "[ . 1 . 2]" 1
487 1 54 ILE MG 1 55 ILE H 2.730 . 3.660 2.641 2.228 2.920 . 0 0 "[ . 1 . 2]" 1
488 1 54 ILE MG 1 56 GLN HE22 3.570 . 5.340 3.664 2.380 4.353 . 0 0 "[ . 1 . 2]" 1
489 1 55 ILE H 1 55 ILE HB 2.800 . 3.800 2.709 2.467 2.955 . 0 0 "[ . 1 . 2]" 1
490 1 55 ILE H 1 55 ILE MD 3.640 . 5.480 4.301 4.106 4.555 . 0 0 "[ . 1 . 2]" 1
491 1 55 ILE H 1 55 ILE QG 3.325 . 4.850 4.090 3.638 4.282 . 0 0 "[ . 1 . 2]" 1
492 1 55 ILE H 1 56 GLN H 3.650 . 5.500 4.405 4.306 4.526 . 0 0 "[ . 1 . 2]" 1
493 1 55 ILE HA 1 55 ILE MD 3.245 . 4.690 2.773 1.918 3.789 . 0 0 "[ . 1 . 2]" 1
494 1 55 ILE HA 1 55 ILE QG 2.990 . 4.180 2.278 2.115 2.530 . 0 0 "[ . 1 . 2]" 1
495 1 55 ILE HA 1 55 ILE MG 2.775 . 3.750 3.105 2.778 3.196 . 0 0 "[ . 1 . 2]" 1
496 1 55 ILE HA 1 56 GLN H 2.550 . 3.300 2.240 2.192 2.319 . 0 0 "[ . 1 . 2]" 1
497 1 55 ILE HB 1 56 GLN H 3.475 . 5.150 4.388 4.179 4.524 . 0 0 "[ . 1 . 2]" 1
498 1 55 ILE QG 1 56 GLN H 3.500 . 5.200 3.255 2.132 3.754 . 0 0 "[ . 1 . 2]" 1
499 1 55 ILE MG 1 56 GLN H 3.165 . 4.530 3.283 2.367 3.589 . 0 0 "[ . 1 . 2]" 1
500 1 56 GLN H 1 56 GLN HB2 2.950 . 4.100 2.380 1.986 3.594 . 0 0 "[ . 1 . 2]" 1
501 1 56 GLN H 1 56 GLN HB3 2.850 . 3.900 3.529 3.290 3.733 . 0 0 "[ . 1 . 2]" 1
502 1 56 GLN H 1 56 GLN QG 3.185 . 4.570 2.901 1.838 3.886 . 0 0 "[ . 1 . 2]" 1
503 1 56 GLN HA 1 57 ALA H 2.700 . 3.600 2.506 2.249 2.634 . 0 0 "[ . 1 . 2]" 1
504 1 56 GLN HB2 1 57 ALA H 3.090 . 4.380 3.625 2.298 4.122 . 0 0 "[ . 1 . 2]" 1
505 1 56 GLN HB3 1 57 ALA H 3.360 . 4.920 2.607 2.247 3.451 . 0 0 "[ . 1 . 2]" 1
506 1 56 GLN QG 1 57 ALA H 3.650 . 5.500 3.890 2.987 4.808 . 0 0 "[ . 1 . 2]" 1
507 1 57 ALA H 1 57 ALA MB 3.140 . 4.480 2.066 1.911 2.233 . 0 0 "[ . 1 . 2]" 1
508 1 57 ALA H 1 58 THR H 3.650 . 5.500 4.573 4.440 4.676 . 0 0 "[ . 1 . 2]" 1
509 1 57 ALA HA 1 95 ALA H 3.650 . 5.500 4.827 4.160 5.534 0.034 14 0 "[ . 1 . 2]" 1
510 1 57 ALA HA 1 96 TYR H 2.955 . 4.110 2.543 1.781 4.011 0.019 5 0 "[ . 1 . 2]" 1
511 1 57 ALA MB 1 58 THR H 3.390 . 4.980 3.145 2.789 3.399 . 0 0 "[ . 1 . 2]" 1
512 1 57 ALA MB 1 95 ALA H 3.410 . 5.020 3.801 2.441 4.101 . 0 0 "[ . 1 . 2]" 1
513 1 57 ALA MB 1 96 TYR H 3.445 . 5.090 3.293 2.475 3.892 . 0 0 "[ . 1 . 2]" 1
514 1 58 THR H 1 58 THR HB 3.025 . 4.250 3.584 3.414 3.734 . 0 0 "[ . 1 . 2]" 1
515 1 58 THR H 1 96 TYR H 3.435 . 5.070 3.216 2.277 4.307 . 0 0 "[ . 1 . 2]" 1
516 1 58 THR H 1 96 TYR QD 3.650 . 5.500 4.243 2.007 5.145 . 0 0 "[ . 1 . 2]" 1
517 1 58 THR HA 1 58 THR MG 2.955 . 4.110 3.177 3.162 3.197 . 0 0 "[ . 1 . 2]" 1
518 1 58 THR HB 1 59 ILE H 3.650 . 5.500 4.710 4.573 4.753 . 0 0 "[ . 1 . 2]" 1
519 1 58 THR MG 1 59 ILE H 3.470 . 5.140 3.810 3.399 4.204 . 0 0 "[ . 1 . 2]" 1
520 1 58 THR MG 1 96 TYR QD 3.590 . 5.380 3.384 2.810 3.946 . 0 0 "[ . 1 . 2]" 1
521 1 59 ILE H 1 59 ILE HB 3.335 . 4.870 3.147 2.599 3.980 . 0 0 "[ . 1 . 2]" 1
522 1 59 ILE H 1 59 ILE MG 3.380 . 4.960 2.938 2.015 3.808 . 0 0 "[ . 1 . 2]" 1
523 1 59 ILE H 1 60 ILE H 3.650 . 5.500 2.448 1.824 3.193 . 0 0 "[ . 1 . 2]" 1
524 1 59 ILE H 1 95 ALA MB 3.505 . 5.210 3.815 1.698 4.527 0.102 4 0 "[ . 1 . 2]" 1
525 1 59 ILE H 1 96 TYR QB 3.650 . 5.500 3.812 3.178 4.601 . 0 0 "[ . 1 . 2]" 1
526 1 59 ILE HA 1 59 ILE MD 3.495 . 5.190 3.117 1.819 4.053 . 0 0 "[ . 1 . 2]" 1
527 1 59 ILE HA 1 59 ILE MG 3.155 . 4.510 3.029 2.515 3.196 . 0 0 "[ . 1 . 2]" 1
528 1 59 ILE HA 1 60 ILE H 2.830 . 3.860 3.603 3.531 3.651 . 0 0 "[ . 1 . 2]" 1
529 1 59 ILE HB 1 96 TYR QD 3.365 . 4.930 3.605 2.068 4.671 . 0 0 "[ . 1 . 2]" 1
530 1 59 ILE HB 1 96 TYR QE 3.650 . 5.500 4.819 3.613 5.262 . 0 0 "[ . 1 . 2]" 1
531 1 59 ILE MD 1 96 TYR QB 3.355 . 4.910 3.136 2.546 3.672 . 0 0 "[ . 1 . 2]" 1
532 1 59 ILE MG 1 60 ILE H 3.360 . 4.920 1.904 1.744 3.253 0.056 6 0 "[ . 1 . 2]" 1
533 1 59 ILE MG 1 95 ALA HA 3.650 . 5.500 4.027 3.019 4.615 . 0 0 "[ . 1 . 2]" 1
534 1 59 ILE MG 1 96 TYR H 3.650 . 5.500 3.873 3.147 4.526 . 0 0 "[ . 1 . 2]" 1
535 1 59 ILE MG 1 96 TYR QB 3.250 . 4.700 2.153 1.568 3.190 0.232 7 0 "[ . 1 . 2]" 1
536 1 59 ILE MG 1 96 TYR QD 3.005 . 4.210 2.302 1.823 3.080 . 0 0 "[ . 1 . 2]" 1
537 1 59 ILE MG 1 96 TYR QE 3.605 . 5.410 3.538 3.028 4.322 . 0 0 "[ . 1 . 2]" 1
538 1 60 ILE H 1 60 ILE HB 2.920 . 4.040 2.387 2.069 2.778 . 0 0 "[ . 1 . 2]" 1
539 1 60 ILE H 1 60 ILE MD 3.510 . 5.220 3.444 2.809 4.024 . 0 0 "[ . 1 . 2]" 1
540 1 60 ILE H 1 95 ALA HA 3.280 . 4.760 3.731 2.379 4.395 . 0 0 "[ . 1 . 2]" 1
541 1 60 ILE H 1 95 ALA MB 3.650 . 5.500 3.738 1.820 4.622 . 0 0 "[ . 1 . 2]" 1
542 1 60 ILE H 1 96 TYR H 3.650 . 5.500 4.550 4.020 4.917 . 0 0 "[ . 1 . 2]" 1
543 1 60 ILE HA 1 60 ILE MD 3.215 . 4.630 3.107 1.826 3.854 . 0 0 "[ . 1 . 2]" 1
544 1 60 ILE HA 1 60 ILE MG 2.990 . 4.180 2.426 2.042 3.093 . 0 0 "[ . 1 . 2]" 1
545 1 60 ILE HA 1 61 ARG H 2.620 . 3.440 2.658 2.197 3.494 0.054 12 0 "[ . 1 . 2]" 1
546 1 60 ILE HB 1 61 ARG H 3.535 . 5.270 3.347 1.877 4.374 . 0 0 "[ . 1 . 2]" 1
547 1 60 ILE MG 1 64 GLN H 3.620 . 5.440 3.902 3.141 4.478 . 0 0 "[ . 1 . 2]" 1
548 1 60 ILE MG 1 64 GLN HB2 3.365 . 4.930 3.346 2.050 3.946 . 0 0 "[ . 1 . 2]" 1
549 1 61 ARG H 1 61 ARG QG 3.340 . 4.880 3.390 1.886 4.227 . 0 0 "[ . 1 . 2]" 1
550 1 61 ARG H 1 62 GLN H 3.490 . 5.180 4.399 4.145 4.574 . 0 0 "[ . 1 . 2]" 1
551 1 61 ARG H 1 94 GLY H 3.650 . 5.500 4.577 3.458 5.548 0.048 6 0 "[ . 1 . 2]" 1
552 1 61 ARG HA 1 61 ARG QG 2.810 . 3.820 2.222 1.918 3.307 . 0 0 "[ . 1 . 2]" 1
553 1 61 ARG HA 1 62 GLN H 2.615 . 3.430 2.756 2.486 3.012 . 0 0 "[ . 1 . 2]" 1
554 1 61 ARG HA 1 94 GLY H 3.260 . 4.720 3.529 2.067 4.761 0.041 12 0 "[ . 1 . 2]" 1
555 1 61 ARG QB 1 62 GLN H 2.920 . 4.040 2.160 1.816 2.924 . 0 0 "[ . 1 . 2]" 1
556 1 61 ARG QB 1 64 GLN H 3.650 . 5.500 2.823 2.165 3.864 . 0 0 "[ . 1 . 2]" 1
557 1 61 ARG QB 1 64 GLN HB3 3.445 . 5.090 2.941 1.849 4.421 . 0 0 "[ . 1 . 2]" 1
558 1 61 ARG QG 1 62 GLN H 3.110 . 4.420 2.965 1.795 3.983 0.005 4 0 "[ . 1 . 2]" 1
559 1 62 GLN H 1 62 GLN HB2 2.710 . 3.620 2.595 1.963 3.573 . 0 0 "[ . 1 . 2]" 1
560 1 62 GLN H 1 62 GLN HE21 3.145 . 4.490 3.977 2.410 4.394 . 0 0 "[ . 1 . 2]" 1
561 1 62 GLN H 1 62 GLN QG 3.150 . 4.500 3.514 1.770 3.990 0.030 9 0 "[ . 1 . 2]" 1
562 1 62 GLN H 1 63 ASN H 3.650 . 5.500 2.698 2.285 3.129 . 0 0 "[ . 1 . 2]" 1
563 1 62 GLN H 1 93 VAL MG1 3.375 . 4.950 3.500 2.295 4.079 . 0 0 "[ . 1 . 2]" 1
564 1 62 GLN HA 1 62 GLN QG 2.915 . 4.030 2.517 2.043 3.487 . 0 0 "[ . 1 . 2]" 1
565 1 62 GLN HA 1 63 ASN H 2.800 . 3.800 3.535 3.420 3.594 . 0 0 "[ . 1 . 2]" 1
566 1 62 GLN HA 1 64 GLN H 3.445 . 5.090 4.560 3.922 4.983 . 0 0 "[ . 1 . 2]" 1
567 1 62 GLN HA 1 93 VAL MG1 3.170 . 4.540 2.318 1.689 3.650 0.111 1 0 "[ . 1 . 2]" 1
568 1 62 GLN HA 1 93 VAL MG2 3.390 . 4.980 3.204 1.845 4.192 . 0 0 "[ . 1 . 2]" 1
569 1 62 GLN HB2 1 62 GLN HE22 3.650 . 5.500 3.846 3.148 4.614 . 0 0 "[ . 1 . 2]" 1
570 1 62 GLN HB3 1 63 ASN H 3.275 . 4.750 2.605 1.855 4.356 . 0 0 "[ . 1 . 2]" 1
571 1 62 GLN QG 1 63 ASN H 3.515 . 5.230 3.471 2.650 4.267 . 0 0 "[ . 1 . 2]" 1
572 1 62 GLN QG 1 93 VAL MG1 3.115 . 4.430 2.097 1.805 3.100 . 0 0 "[ . 1 . 2]" 1
573 1 62 GLN QG 1 93 VAL MG2 3.240 . 4.680 2.584 1.767 3.444 0.033 6 0 "[ . 1 . 2]" 1
574 1 63 ASN H 1 64 GLN H 2.915 . 4.030 2.635 1.809 3.299 . 0 0 "[ . 1 . 2]" 1
575 1 63 ASN H 1 93 VAL MG1 3.650 . 5.500 4.358 3.750 4.512 . 0 0 "[ . 1 . 2]" 1
576 1 63 ASN H 1 110 ALA MB 3.650 . 5.500 4.296 4.070 4.454 . 0 0 "[ . 1 . 2]" 1
577 1 63 ASN QB 1 110 ALA H 3.230 . 4.660 2.941 2.248 3.808 . 0 0 "[ . 1 . 2]" 1
578 1 63 ASN QB 1 110 ALA MB 3.650 . 5.500 2.048 1.660 2.962 0.140 10 0 "[ . 1 . 2]" 1
579 1 64 GLN H 1 64 GLN HB2 2.940 . 4.080 2.568 1.940 3.428 . 0 0 "[ . 1 . 2]" 1
580 1 64 GLN H 1 64 GLN HG2 3.540 . 5.280 4.338 3.531 4.551 . 0 0 "[ . 1 . 2]" 1
581 1 64 GLN H 1 64 GLN HG3 3.230 . 4.660 4.112 2.914 4.456 . 0 0 "[ . 1 . 2]" 1
582 1 64 GLN H 1 65 ALA H 3.650 . 5.500 4.624 4.570 4.661 . 0 0 "[ . 1 . 2]" 1
583 1 64 GLN HA 1 64 GLN HG2 3.000 . 4.200 3.586 1.948 4.240 0.040 20 0 "[ . 1 . 2]" 1
584 1 64 GLN HA 1 64 GLN HG3 2.880 . 3.960 3.214 2.819 3.626 . 0 0 "[ . 1 . 2]" 1
585 1 64 GLN HA 1 65 ALA H 2.630 . 3.460 2.229 2.186 2.411 . 0 0 "[ . 1 . 2]" 1
586 1 64 GLN HA 1 108 VAL MG1 3.465 . 5.130 3.967 3.823 4.106 . 0 0 "[ . 1 . 2]" 1
587 1 64 GLN HA 1 109 ASP HB2 3.650 . 5.500 4.277 3.947 4.889 . 0 0 "[ . 1 . 2]" 1
588 1 64 GLN HA 1 110 ALA H 2.780 . 3.760 2.592 2.073 2.805 . 0 0 "[ . 1 . 2]" 1
589 1 64 GLN HA 1 110 ALA MB 3.335 . 4.870 3.912 3.849 3.973 . 0 0 "[ . 1 . 2]" 1
590 1 64 GLN HB2 1 65 ALA H 3.255 . 4.710 4.123 2.712 4.486 . 0 0 "[ . 1 . 2]" 1
591 1 64 GLN HB3 1 64 GLN HE21 3.395 . 4.990 3.873 3.208 4.679 . 0 0 "[ . 1 . 2]" 1
592 1 64 GLN HB3 1 64 GLN HE22 3.585 . 5.370 4.852 3.751 5.365 . 0 0 "[ . 1 . 2]" 1
593 1 64 GLN HB3 1 65 ALA H 3.270 . 4.740 4.203 3.541 4.508 . 0 0 "[ . 1 . 2]" 1
594 1 64 GLN HB3 1 109 ASP HA 3.370 . 4.940 4.714 4.105 4.951 0.011 16 0 "[ . 1 . 2]" 1
595 1 64 GLN HB3 1 110 ALA H 3.530 . 5.260 5.204 4.861 5.324 0.064 14 0 "[ . 1 . 2]" 1
596 1 64 GLN HE21 1 64 GLN HG3 3.100 . 4.400 3.170 2.283 3.620 . 0 0 "[ . 1 . 2]" 1
597 1 64 GLN HE22 1 64 GLN HG3 2.995 . 4.190 3.917 3.524 4.122 . 0 0 "[ . 1 . 2]" 1
598 1 64 GLN HE22 1 108 VAL MG1 3.585 . 5.370 4.113 3.081 4.475 . 0 0 "[ . 1 . 2]" 1
599 1 64 GLN HG2 1 65 ALA H 3.650 . 5.500 4.291 2.981 4.972 . 0 0 "[ . 1 . 2]" 1
600 1 64 GLN HG2 1 66 LEU MD2 3.450 . 5.100 3.469 2.667 4.276 . 0 0 "[ . 1 . 2]" 1
601 1 64 GLN HG3 1 65 ALA H 3.325 . 4.850 3.418 2.533 4.839 . 0 0 "[ . 1 . 2]" 1
602 1 65 ALA H 1 65 ALA MB 2.980 . 4.160 2.211 2.117 2.540 . 0 0 "[ . 1 . 2]" 1
603 1 65 ALA H 1 107 LEU HA 3.650 . 5.500 5.142 4.632 5.514 0.014 2 0 "[ . 1 . 2]" 1
604 1 65 ALA H 1 108 VAL H 2.900 . 4.000 3.196 2.770 3.677 . 0 0 "[ . 1 . 2]" 1
605 1 65 ALA H 1 108 VAL MG1 3.335 . 4.870 2.254 1.975 3.068 . 0 0 "[ . 1 . 2]" 1
606 1 65 ALA H 1 108 VAL MG2 3.435 . 5.070 4.024 3.582 4.364 . 0 0 "[ . 1 . 2]" 1
607 1 65 ALA H 1 109 ASP HB2 3.650 . 5.500 5.367 5.115 5.619 0.119 17 0 "[ . 1 . 2]" 1
608 1 65 ALA MB 1 108 VAL HB 3.390 . 4.980 3.696 1.993 4.010 . 0 0 "[ . 1 . 2]" 1
609 1 66 LEU H 1 66 LEU QB 2.990 . 4.180 2.452 2.247 3.080 . 0 0 "[ . 1 . 2]" 1
610 1 66 LEU H 1 66 LEU MD1 3.495 . 5.190 3.613 2.178 4.290 . 0 0 "[ . 1 . 2]" 1
611 1 66 LEU H 1 66 LEU MD2 3.475 . 5.150 3.439 1.984 4.353 . 0 0 "[ . 1 . 2]" 1
612 1 66 LEU H 1 89 LEU HA 3.650 . 5.500 5.109 4.775 5.485 . 0 0 "[ . 1 . 2]" 1
613 1 66 LEU H 1 89 LEU HG 3.470 . 5.140 5.162 4.975 5.287 0.147 20 0 "[ . 1 . 2]" 1
614 1 66 LEU H 1 90 VAL H 3.215 . 4.630 3.404 2.729 3.889 . 0 0 "[ . 1 . 2]" 1
615 1 66 LEU H 1 91 THR HA 3.400 . 5.000 3.580 3.025 4.122 . 0 0 "[ . 1 . 2]" 1
616 1 67 ARG H 1 67 ARG QB 2.715 . 3.630 2.263 2.044 2.684 . 0 0 "[ . 1 . 2]" 1
617 1 68 LEU H 1 68 LEU MD1 3.450 . 5.100 3.858 3.561 4.224 . 0 0 "[ . 1 . 2]" 1
618 1 68 LEU H 1 68 LEU MD2 2.950 . 4.100 3.123 2.315 3.369 . 0 0 "[ . 1 . 2]" 1
619 1 68 LEU H 1 88 TRP H 2.875 . 3.950 3.638 3.256 3.996 0.046 18 0 "[ . 1 . 2]" 1
620 1 68 LEU H 1 89 LEU HA 3.400 . 5.000 2.552 2.131 2.900 . 0 0 "[ . 1 . 2]" 1
621 1 68 LEU H 1 89 LEU HB2 3.060 . 4.320 4.292 3.991 4.417 0.097 12 0 "[ . 1 . 2]" 1
622 1 68 LEU H 1 89 LEU MD2 3.330 . 4.860 3.648 2.968 4.013 . 0 0 "[ . 1 . 2]" 1
623 1 68 LEU HA 1 68 LEU MD1 3.275 . 4.750 3.383 1.846 3.917 . 0 0 "[ . 1 . 2]" 1
624 1 68 LEU HA 1 105 LEU H 3.240 . 4.680 3.312 2.840 4.046 . 0 0 "[ . 1 . 2]" 1
625 1 68 LEU HA 1 105 LEU QD 2.850 . 3.900 2.321 1.846 2.614 . 0 0 "[ . 1 . 2]" 1
626 1 68 LEU QB 1 68 LEU MD1 2.750 . 3.700 2.125 2.053 2.299 . 0 0 "[ . 1 . 2]" 1
627 1 68 LEU QB 1 88 TRP HD1 3.590 . 5.380 2.120 1.856 2.754 . 0 0 "[ . 1 . 2]" 1
628 1 68 LEU QB 1 88 TRP HE1 2.955 . 4.110 3.315 2.739 3.646 . 0 0 "[ . 1 . 2]" 1
629 1 68 LEU MD2 1 104 VAL MG1 3.235 . 4.670 2.816 1.585 3.351 0.215 15 0 "[ . 1 . 2]" 1
630 1 69 ARG H 1 69 ARG HB2 2.905 . 4.010 2.700 2.138 3.134 . 0 0 "[ . 1 . 2]" 1
631 1 69 ARG H 1 69 ARG HB3 2.940 . 4.080 2.753 2.315 3.513 . 0 0 "[ . 1 . 2]" 1
632 1 69 ARG H 1 103 GLU H 2.900 . 4.000 2.819 2.319 3.288 . 0 0 "[ . 1 . 2]" 1
633 1 69 ARG H 1 105 LEU QD 2.810 . 3.820 2.300 1.766 2.575 0.034 11 0 "[ . 1 . 2]" 1
634 1 69 ARG HA 1 70 ALA H 2.635 . 3.470 2.361 2.256 2.465 . 0 0 "[ . 1 . 2]" 1
635 1 69 ARG HA 1 75 TRP HZ3 3.405 . 5.010 4.052 3.362 4.583 . 0 0 "[ . 1 . 2]" 1
636 1 69 ARG HA 1 86 GLU HG3 3.650 . 5.500 5.342 5.118 5.530 0.030 13 0 "[ . 1 . 2]" 1
637 1 69 ARG HA 1 87 GLU HA 2.900 . 4.000 2.315 1.908 2.539 . 0 0 "[ . 1 . 2]" 1
638 1 69 ARG HB2 1 105 LEU QD 2.905 . 4.010 1.901 1.685 2.261 0.115 9 0 "[ . 1 . 2]" 1
639 1 69 ARG HB3 1 70 ALA H 2.905 . 4.010 3.615 2.764 4.055 0.045 17 0 "[ . 1 . 2]" 1
640 1 70 ALA H 1 75 TRP HE3 3.295 . 4.790 4.562 4.029 4.812 0.022 11 0 "[ . 1 . 2]" 1
641 1 70 ALA H 1 75 TRP HH2 3.585 . 5.370 4.436 4.085 5.020 . 0 0 "[ . 1 . 2]" 1
642 1 70 ALA H 1 75 TRP HZ3 3.270 . 4.740 2.856 2.241 3.237 . 0 0 "[ . 1 . 2]" 1
643 1 70 ALA H 1 84 THR HA 3.650 . 5.500 4.625 4.220 5.035 . 0 0 "[ . 1 . 2]" 1
644 1 70 ALA H 1 86 GLU H 3.400 . 5.000 4.696 4.107 5.016 0.016 7 0 "[ . 1 . 2]" 1
645 1 70 ALA H 1 87 GLU HA 3.400 . 5.000 2.713 2.172 3.124 . 0 0 "[ . 1 . 2]" 1
646 1 70 ALA HA 1 71 ARG H 2.615 . 3.430 2.286 2.213 2.396 . 0 0 "[ . 1 . 2]" 1
647 1 70 ALA HA 1 72 LYS H 3.115 . 4.430 3.932 3.524 4.293 . 0 0 "[ . 1 . 2]" 1
648 1 70 ALA HA 1 75 TRP HH2 3.340 . 4.880 4.616 3.986 4.906 0.026 16 0 "[ . 1 . 2]" 1
649 1 70 ALA HA 1 75 TRP HZ3 3.630 . 5.460 2.720 1.936 3.491 . 0 0 "[ . 1 . 2]" 1
650 1 70 ALA HA 1 103 GLU H 3.400 . 5.000 4.028 3.716 4.429 . 0 0 "[ . 1 . 2]" 1
651 1 70 ALA MB 1 71 ARG H 2.955 . 4.110 2.944 2.557 3.368 . 0 0 "[ . 1 . 2]" 1
652 1 70 ALA MB 1 72 LYS H 3.255 . 4.710 3.442 3.106 3.804 . 0 0 "[ . 1 . 2]" 1
653 1 70 ALA MB 1 73 GLU HA 3.585 . 5.370 3.899 2.781 4.324 . 0 0 "[ . 1 . 2]" 1
654 1 70 ALA MB 1 75 TRP HE3 3.015 . 4.230 2.013 1.764 2.494 0.036 19 0 "[ . 1 . 2]" 1
655 1 70 ALA MB 1 75 TRP HH2 3.480 . 5.160 3.977 3.627 4.172 . 0 0 "[ . 1 . 2]" 1
656 1 70 ALA MB 1 75 TRP HZ3 2.680 . 3.560 1.878 1.783 2.186 0.017 10 0 "[ . 1 . 2]" 1
657 1 70 ALA MB 1 84 THR HA 3.065 . 4.330 1.838 1.700 2.097 0.100 5 0 "[ . 1 . 2]" 1
658 1 70 ALA MB 1 84 THR HB 3.385 . 4.970 3.789 3.232 4.018 . 0 0 "[ . 1 . 2]" 1
659 1 70 ALA MB 1 85 GLY H 3.305 . 4.810 3.703 2.582 4.007 . 0 0 "[ . 1 . 2]" 1
660 1 70 ALA MB 1 86 GLU H 2.880 . 3.960 3.039 2.373 3.312 . 0 0 "[ . 1 . 2]" 1
661 1 70 ALA MB 1 87 GLU HA 3.650 . 5.500 3.447 3.036 3.714 . 0 0 "[ . 1 . 2]" 1
662 1 71 ARG H 1 71 ARG QB 2.975 . 4.150 2.376 2.078 2.817 . 0 0 "[ . 1 . 2]" 1
663 1 71 ARG H 1 71 ARG QD 3.650 . 5.500 4.457 3.973 4.871 . 0 0 "[ . 1 . 2]" 1
664 1 71 ARG H 1 71 ARG HG2 3.355 . 4.910 4.193 2.177 4.860 . 0 0 "[ . 1 . 2]" 1
665 1 71 ARG H 1 71 ARG HG3 3.315 . 4.830 4.178 2.919 4.550 . 0 0 "[ . 1 . 2]" 1
666 1 71 ARG H 1 72 LYS H 2.925 . 4.050 2.016 1.793 2.396 0.007 17 0 "[ . 1 . 2]" 1
667 1 71 ARG H 1 101 PHE HB2 3.650 . 5.500 3.969 3.264 4.635 . 0 0 "[ . 1 . 2]" 1
668 1 71 ARG H 1 101 PHE HB3 3.650 . 5.500 3.066 2.554 3.419 . 0 0 "[ . 1 . 2]" 1
669 1 71 ARG H 1 101 PHE QD 3.650 . 5.500 4.965 4.410 5.284 . 0 0 "[ . 1 . 2]" 1
670 1 71 ARG H 1 102 GLU HA 3.390 . 4.980 2.850 2.003 3.367 . 0 0 "[ . 1 . 2]" 1
671 1 71 ARG H 1 103 GLU H 3.400 . 5.000 4.473 3.441 5.022 0.022 11 0 "[ . 1 . 2]" 1
672 1 71 ARG HA 1 71 ARG HG2 2.945 . 4.090 3.716 3.452 3.903 . 0 0 "[ . 1 . 2]" 1
673 1 71 ARG QB 1 71 ARG QD 2.945 . 4.090 2.212 1.931 2.851 . 0 0 "[ . 1 . 2]" 1
674 1 71 ARG QB 1 72 LYS H 3.080 . 4.360 2.838 2.432 3.728 . 0 0 "[ . 1 . 2]" 1
675 1 71 ARG HG2 1 72 LYS H 3.650 . 5.500 4.085 2.738 5.118 . 0 0 "[ . 1 . 2]" 1
676 1 71 ARG HG3 1 72 LYS H 3.650 . 5.500 3.826 2.221 4.561 . 0 0 "[ . 1 . 2]" 1
677 1 71 ARG HG3 1 72 LYS HA 3.250 . 4.700 4.189 3.601 4.711 0.011 2 0 "[ . 1 . 2]" 1
678 1 72 LYS H 1 72 LYS QG 3.205 . 4.610 3.076 1.864 4.050 . 0 0 "[ . 1 . 2]" 1
679 1 72 LYS H 1 101 PHE HA 3.100 . 4.400 4.204 3.499 4.448 0.048 17 0 "[ . 1 . 2]" 1
680 1 72 LYS H 1 101 PHE HB2 3.195 . 4.590 3.803 2.837 4.548 . 0 0 "[ . 1 . 2]" 1
681 1 72 LYS H 1 101 PHE HB3 3.430 . 5.060 2.368 1.842 2.830 . 0 0 "[ . 1 . 2]" 1
682 1 72 LYS H 1 101 PHE QD 3.650 . 5.500 4.129 3.132 4.598 . 0 0 "[ . 1 . 2]" 1
683 1 72 LYS HA 1 72 LYS QG 2.800 . 3.800 2.979 2.558 3.375 . 0 0 "[ . 1 . 2]" 1
684 1 72 LYS HA 1 84 THR H 3.650 . 5.500 5.229 4.622 5.525 0.025 5 0 "[ . 1 . 2]" 1
685 1 72 LYS HB2 1 73 GLU H 3.370 . 4.940 3.696 1.867 4.462 . 0 0 "[ . 1 . 2]" 1
686 1 72 LYS HB2 1 101 PHE QD 3.650 . 5.500 3.776 2.302 5.226 . 0 0 "[ . 1 . 2]" 1
687 1 72 LYS HB3 1 73 GLU H 3.335 . 4.870 3.802 1.928 4.682 . 0 0 "[ . 1 . 2]" 1
688 1 72 LYS HB3 1 101 PHE QD 3.650 . 5.500 3.736 2.513 5.264 . 0 0 "[ . 1 . 2]" 1
689 1 72 LYS QG 1 73 GLU H 3.450 . 5.100 3.680 2.397 4.644 . 0 0 "[ . 1 . 2]" 1
690 1 72 LYS QG 1 101 PHE HB2 3.440 . 5.080 4.199 3.233 4.628 . 0 0 "[ . 1 . 2]" 1
691 1 72 LYS QG 1 101 PHE QD 2.930 . 4.060 2.846 1.756 3.533 0.044 12 0 "[ . 1 . 2]" 1
692 1 72 LYS QG 1 101 PHE QE 3.210 . 4.620 3.313 2.201 3.897 . 0 0 "[ . 1 . 2]" 1
693 1 72 LYS QG 1 101 PHE HZ 3.495 . 5.190 4.293 3.405 4.718 . 0 0 "[ . 1 . 2]" 1
694 1 73 GLU H 1 73 GLU QB 3.070 . 4.340 2.542 2.037 3.464 . 0 0 "[ . 1 . 2]" 1
695 1 73 GLU H 1 73 GLU QG 3.395 . 4.990 2.762 1.875 4.250 . 0 0 "[ . 1 . 2]" 1
696 1 73 GLU H 1 74 CYS H 3.650 . 5.500 3.799 1.785 4.714 0.015 1 0 "[ . 1 . 2]" 1
697 1 73 GLU H 1 84 THR H 3.635 . 5.470 3.868 3.267 5.067 . 0 0 "[ . 1 . 2]" 1
698 1 73 GLU H 1 84 THR HA 3.140 . 4.480 4.156 2.146 4.536 0.056 4 0 "[ . 1 . 2]" 1
699 1 73 GLU HA 1 73 GLU QG 3.010 . 4.220 3.080 2.509 3.309 . 0 0 "[ . 1 . 2]" 1
700 1 73 GLU HA 1 74 CYS H 2.645 . 3.490 2.599 2.238 3.531 0.041 8 0 "[ . 1 . 2]" 1
701 1 73 GLU HA 1 84 THR H 3.385 . 4.970 2.762 1.908 3.731 . 0 0 "[ . 1 . 2]" 1
702 1 73 GLU QB 1 74 CYS H 3.190 . 4.580 3.556 1.853 4.065 . 0 0 "[ . 1 . 2]" 1
703 1 73 GLU QB 1 83 VAL HA 3.110 . 4.420 2.327 1.976 3.028 . 0 0 "[ . 1 . 2]" 1
704 1 73 GLU QB 1 83 VAL QG 3.315 . 4.830 2.536 1.917 3.186 . 0 0 "[ . 1 . 2]" 1
705 1 73 GLU QB 1 84 THR H 3.260 . 4.720 2.185 1.924 2.566 . 0 0 "[ . 1 . 2]" 1
706 1 73 GLU QG 1 74 CYS H 3.295 . 4.790 3.506 1.843 4.288 . 0 0 "[ . 1 . 2]" 1
707 1 74 CYS H 1 83 VAL HA 3.510 . 5.220 4.197 3.307 5.235 0.015 8 0 "[ . 1 . 2]" 1
708 1 75 TRP H 1 75 TRP HB2 2.990 . 4.180 2.915 2.734 3.060 . 0 0 "[ . 1 . 2]" 1
709 1 75 TRP H 1 75 TRP HB3 2.710 . 3.620 2.032 1.960 2.151 . 0 0 "[ . 1 . 2]" 1
710 1 75 TRP H 1 76 ASP H 3.650 . 5.500 4.465 4.337 4.630 . 0 0 "[ . 1 . 2]" 1
711 1 75 TRP H 1 101 PHE H 3.650 . 5.500 5.462 4.878 5.636 0.136 15 0 "[ . 1 . 2]" 1
712 1 75 TRP H 1 101 PHE QE 3.590 . 5.380 4.018 3.573 4.549 . 0 0 "[ . 1 . 2]" 1
713 1 75 TRP HA 1 76 ASP H 2.610 . 3.420 2.231 2.203 2.272 . 0 0 "[ . 1 . 2]" 1
714 1 75 TRP HB3 1 76 ASP H 3.295 . 4.790 4.564 4.455 4.631 . 0 0 "[ . 1 . 2]" 1
715 1 75 TRP HB3 1 101 PHE QD 3.470 . 5.140 2.605 2.333 3.597 . 0 0 "[ . 1 . 2]" 1
716 1 75 TRP HB3 1 101 PHE QE 3.650 . 5.500 4.797 4.613 5.154 . 0 0 "[ . 1 . 2]" 1
717 1 75 TRP HE1 1 77 ARG H 3.650 . 5.500 4.754 3.654 5.505 0.005 15 0 "[ . 1 . 2]" 1
718 1 75 TRP HE1 1 77 ARG QB 3.535 . 5.270 3.991 2.317 4.787 . 0 0 "[ . 1 . 2]" 1
719 1 75 TRP HE3 1 86 GLU HB3 3.650 . 5.500 4.871 3.821 5.534 0.034 10 0 "[ . 1 . 2]" 1
720 1 75 TRP HE3 1 86 GLU HG2 3.445 . 5.090 4.247 3.162 5.110 0.020 9 0 "[ . 1 . 2]" 1
721 1 75 TRP HE3 1 87 GLU HA 3.510 . 5.220 5.229 5.153 5.324 0.104 11 0 "[ . 1 . 2]" 1
722 1 75 TRP HE3 1 101 PHE HB2 3.090 . 4.380 3.550 2.772 3.991 . 0 0 "[ . 1 . 2]" 1
723 1 75 TRP HE3 1 101 PHE HB3 3.270 . 4.740 4.224 3.465 4.798 0.058 8 0 "[ . 1 . 2]" 1
724 1 75 TRP HH2 1 102 GLU QB 3.500 . 5.200 3.778 2.899 4.703 . 0 0 "[ . 1 . 2]" 1
725 1 75 TRP HH2 1 102 GLU QG 3.285 . 4.770 3.682 2.888 4.284 . 0 0 "[ . 1 . 2]" 1
726 1 75 TRP HZ2 1 77 ARG H 3.650 . 5.500 4.886 3.843 5.534 0.034 9 0 "[ . 1 . 2]" 1
727 1 75 TRP HZ3 1 86 GLU HB3 3.650 . 5.500 4.315 3.170 5.261 . 0 0 "[ . 1 . 2]" 1
728 1 75 TRP HZ3 1 87 GLU HA 3.650 . 5.500 2.806 2.679 2.909 . 0 0 "[ . 1 . 2]" 1
729 1 76 ASP H 1 76 ASP QB 2.920 . 4.040 2.469 2.105 2.907 . 0 0 "[ . 1 . 2]" 1
730 1 76 ASP HA 1 78 ASP H 3.650 . 5.500 3.870 3.343 4.523 . 0 0 "[ . 1 . 2]" 1
731 1 76 ASP QB 1 79 GLY H 2.935 . 4.070 2.519 2.074 3.563 . 0 0 "[ . 1 . 2]" 1
732 1 76 ASP QB 1 79 GLY QA 3.170 . 4.540 2.789 1.903 3.356 . 0 0 "[ . 1 . 2]" 1
733 1 77 ARG H 1 77 ARG QB 2.810 . 3.820 2.282 1.928 2.912 . 0 0 "[ . 1 . 2]" 1
734 1 77 ARG H 1 77 ARG HG2 3.245 . 4.690 3.743 2.598 4.633 . 0 0 "[ . 1 . 2]" 1
735 1 77 ARG H 1 77 ARG HG3 3.350 . 4.900 3.135 1.807 4.642 . 0 0 "[ . 1 . 2]" 1
736 1 77 ARG H 1 78 ASP H 3.190 . 4.580 2.611 2.259 3.178 . 0 0 "[ . 1 . 2]" 1
737 1 77 ARG HG2 1 78 ASP H 3.650 . 5.500 4.663 3.733 5.289 . 0 0 "[ . 1 . 2]" 1
738 1 77 ARG HG2 1 88 TRP H 3.310 . 4.820 4.823 4.640 4.891 0.071 18 0 "[ . 1 . 2]" 1
739 1 77 ARG HG2 1 88 TRP HB2 2.860 . 3.920 2.852 2.026 3.743 . 0 0 "[ . 1 . 2]" 1
740 1 78 ASP H 1 78 ASP HB3 2.785 . 3.770 2.968 2.459 3.453 . 0 0 "[ . 1 . 2]" 1
741 1 78 ASP HB2 1 79 GLY H 3.490 . 5.180 3.867 3.079 4.367 . 0 0 "[ . 1 . 2]" 1
742 1 78 ASP HB2 1 80 LYS H 3.650 . 5.500 4.164 3.540 4.895 . 0 0 "[ . 1 . 2]" 1
743 1 78 ASP HB3 1 79 GLY H 3.145 . 4.490 3.531 2.632 4.260 . 0 0 "[ . 1 . 2]" 1
744 1 78 ASP HB3 1 80 LYS H 3.535 . 5.270 3.253 2.704 4.042 . 0 0 "[ . 1 . 2]" 1
745 1 78 ASP HB3 1 80 LYS HB2 3.285 . 4.770 3.968 2.835 4.800 0.030 7 0 "[ . 1 . 2]" 1
746 1 78 ASP HB3 1 80 LYS QG 3.055 . 4.310 3.036 2.060 3.735 . 0 0 "[ . 1 . 2]" 1
747 1 80 LYS H 1 80 LYS HB2 2.830 . 3.860 2.629 2.275 3.758 . 0 0 "[ . 1 . 2]" 1
748 1 80 LYS H 1 80 LYS HB3 2.970 . 4.140 3.541 2.400 3.814 . 0 0 "[ . 1 . 2]" 1
749 1 80 LYS H 1 80 LYS QG 3.250 . 4.700 2.341 1.872 2.909 . 0 0 "[ . 1 . 2]" 1
750 1 80 LYS HA 1 81 GLU H 2.635 . 3.470 2.790 2.220 3.559 0.089 3 0 "[ . 1 . 2]" 1
751 1 80 LYS HB2 1 81 GLU H 3.445 . 5.090 3.430 1.841 4.541 . 0 0 "[ . 1 . 2]" 1
752 1 80 LYS QG 1 81 GLU H 3.610 . 5.420 4.186 3.456 4.714 . 0 0 "[ . 1 . 2]" 1
753 1 81 GLU H 1 81 GLU QB 2.735 . 3.670 2.632 1.939 3.350 . 0 0 "[ . 1 . 2]" 1
754 1 81 GLU H 1 81 GLU QG 3.340 . 4.880 3.023 1.844 4.130 . 0 0 "[ . 1 . 2]" 1
755 1 81 GLU HA 1 81 GLU QG 3.015 . 4.230 2.729 1.915 3.430 . 0 0 "[ . 1 . 2]" 1
756 1 81 GLU QB 1 82 ARG H 3.155 . 4.510 3.621 3.156 4.003 . 0 0 "[ . 1 . 2]" 1
757 1 81 GLU QG 1 82 ARG H 3.535 . 5.270 4.078 2.821 4.814 . 0 0 "[ . 1 . 2]" 1
758 1 82 ARG H 1 83 VAL H 3.410 . 5.020 4.486 4.405 4.546 . 0 0 "[ . 1 . 2]" 1
759 1 82 ARG QB 1 83 VAL H 3.200 . 4.600 2.512 2.208 3.040 . 0 0 "[ . 1 . 2]" 1
760 1 83 VAL H 1 83 VAL HB 2.920 . 4.040 2.958 2.413 3.640 . 0 0 "[ . 1 . 2]" 1
761 1 83 VAL H 1 83 VAL QG 2.980 . 4.160 1.972 1.788 2.229 0.012 4 0 "[ . 1 . 2]" 1
762 1 83 VAL H 1 84 THR H 3.650 . 5.500 4.563 4.508 4.624 . 0 0 "[ . 1 . 2]" 1
763 1 83 VAL HA 1 83 VAL QG 2.910 . 4.020 2.266 2.117 2.389 . 0 0 "[ . 1 . 2]" 1
764 1 83 VAL HB 1 84 THR H 3.165 . 4.530 3.374 2.267 3.970 . 0 0 "[ . 1 . 2]" 1
765 1 83 VAL QG 1 84 THR H 3.010 . 4.220 2.147 1.747 3.101 0.053 19 0 "[ . 1 . 2]" 1
766 1 83 VAL QG 1 86 GLU H 3.090 . 4.380 2.424 1.990 3.052 . 0 0 "[ . 1 . 2]" 1
767 1 83 VAL QG 1 86 GLU HB3 3.475 . 5.150 3.249 3.039 3.477 . 0 0 "[ . 1 . 2]" 1
768 1 84 THR H 1 84 THR MG 3.010 . 4.220 2.375 1.806 3.496 . 0 0 "[ . 1 . 2]" 1
769 1 84 THR H 1 85 GLY H 3.650 . 5.500 2.971 2.569 4.591 . 0 0 "[ . 1 . 2]" 1
770 1 84 THR HA 1 84 THR MG 2.905 . 4.010 2.710 1.897 3.199 . 0 0 "[ . 1 . 2]" 1
771 1 84 THR HA 1 85 GLY H 2.690 . 3.580 3.344 2.685 3.514 . 0 0 "[ . 1 . 2]" 1
772 1 84 THR HA 1 86 GLU H 3.305 . 4.810 3.773 3.376 4.318 . 0 0 "[ . 1 . 2]" 1
773 1 84 THR MG 1 85 GLY H 3.415 . 5.030 3.031 1.965 4.296 . 0 0 "[ . 1 . 2]" 1
774 1 85 GLY H 1 86 GLU H 3.125 . 4.450 2.724 2.394 3.637 . 0 0 "[ . 1 . 2]" 1
775 1 86 GLU H 1 86 GLU HB2 2.865 . 3.930 2.987 2.599 3.529 . 0 0 "[ . 1 . 2]" 1
776 1 86 GLU H 1 86 GLU HB3 2.955 . 4.110 2.165 1.966 2.312 . 0 0 "[ . 1 . 2]" 1
777 1 86 GLU H 1 86 GLU HG2 3.650 . 5.500 3.875 2.249 4.545 . 0 0 "[ . 1 . 2]" 1
778 1 86 GLU H 1 86 GLU HG3 3.650 . 5.500 4.017 3.084 4.343 . 0 0 "[ . 1 . 2]" 1
779 1 86 GLU H 1 87 GLU H 3.305 . 4.810 4.679 4.623 4.734 . 0 0 "[ . 1 . 2]" 1
780 1 86 GLU HA 1 86 GLU HG2 3.040 . 4.280 3.862 3.604 4.240 . 0 0 "[ . 1 . 2]" 1
781 1 86 GLU HA 1 86 GLU HG3 3.020 . 4.240 3.327 2.769 3.657 . 0 0 "[ . 1 . 2]" 1
782 1 86 GLU HA 1 87 GLU H 2.510 . 3.220 2.379 2.264 2.525 . 0 0 "[ . 1 . 2]" 1
783 1 86 GLU HB3 1 87 GLU H 3.310 . 4.820 4.117 3.945 4.283 . 0 0 "[ . 1 . 2]" 1
784 1 86 GLU HG2 1 87 GLU H 3.125 . 4.450 4.004 3.585 4.503 0.053 6 0 "[ . 1 . 2]" 1
785 1 86 GLU HG3 1 87 GLU H 2.930 . 4.060 2.750 1.925 3.517 . 0 0 "[ . 1 . 2]" 1
786 1 87 GLU H 1 88 TRP H 3.120 . 4.440 4.396 4.296 4.448 0.008 4 0 "[ . 1 . 2]" 1
787 1 87 GLU HA 1 88 TRP H 2.615 . 3.430 2.378 2.247 2.530 . 0 0 "[ . 1 . 2]" 1
788 1 88 TRP HA 1 89 LEU H 2.715 . 3.630 2.308 2.210 2.450 . 0 0 "[ . 1 . 2]" 1
789 1 88 TRP HB2 1 89 LEU H 2.970 . 4.140 3.475 2.958 3.811 . 0 0 "[ . 1 . 2]" 1
790 1 88 TRP HB3 1 89 LEU H 3.180 . 4.560 4.355 4.177 4.548 . 0 0 "[ . 1 . 2]" 1
791 1 88 TRP HD1 1 99 ALA MB 3.625 . 5.450 3.981 2.969 4.544 . 0 0 "[ . 1 . 2]" 1
792 1 88 TRP HE1 1 99 ALA MB 3.530 . 5.260 3.719 3.048 4.194 . 0 0 "[ . 1 . 2]" 1
793 1 89 LEU H 1 89 LEU HB3 2.990 . 4.180 2.426 2.161 2.903 . 0 0 "[ . 1 . 2]" 1
794 1 89 LEU H 1 89 LEU HG 3.525 . 5.250 4.625 4.304 4.850 . 0 0 "[ . 1 . 2]" 1
795 1 89 LEU HA 1 89 LEU MD1 3.070 . 4.340 3.320 1.792 3.702 0.008 13 0 "[ . 1 . 2]" 1
796 1 89 LEU HA 1 89 LEU MD2 2.710 . 3.620 2.082 1.796 2.757 0.004 11 0 "[ . 1 . 2]" 1
797 1 89 LEU HA 1 90 VAL H 2.605 . 3.410 2.258 2.186 2.414 . 0 0 "[ . 1 . 2]" 1
798 1 89 LEU MD1 1 90 VAL H 3.270 . 4.740 3.127 1.784 4.122 0.016 13 0 "[ . 1 . 2]" 1
799 1 89 LEU HG 1 90 VAL H 3.340 . 4.880 4.203 3.104 4.800 . 0 0 "[ . 1 . 2]" 1
800 1 90 VAL H 1 90 VAL HB 2.905 . 4.010 2.691 2.204 3.639 . 0 0 "[ . 1 . 2]" 1
801 1 90 VAL H 1 90 VAL QG 2.710 . 3.620 2.168 1.870 2.797 . 0 0 "[ . 1 . 2]" 1
802 1 90 VAL HA 1 90 VAL QG 2.945 . 4.090 2.182 2.003 2.389 . 0 0 "[ . 1 . 2]" 1
803 1 90 VAL HA 1 91 THR H 2.695 . 3.590 2.227 2.191 2.302 . 0 0 "[ . 1 . 2]" 1
804 1 90 VAL HA 1 92 THR H 3.320 . 4.840 3.967 3.271 4.538 . 0 0 "[ . 1 . 2]" 1
805 1 90 VAL HB 1 91 THR H 3.650 . 5.500 4.269 3.440 4.532 . 0 0 "[ . 1 . 2]" 1
806 1 90 VAL HB 1 92 THR H 3.650 . 5.500 4.819 3.578 5.461 . 0 0 "[ . 1 . 2]" 1
807 1 90 VAL QG 1 91 THR H 3.270 . 4.740 2.729 2.210 3.541 . 0 0 "[ . 1 . 2]" 1
808 1 90 VAL QG 1 92 THR H 3.405 . 5.010 2.384 1.927 3.011 . 0 0 "[ . 1 . 2]" 1
809 1 91 THR H 1 91 THR MG 3.135 . 4.470 3.190 1.900 3.888 . 0 0 "[ . 1 . 2]" 1
810 1 91 THR H 1 92 THR H 2.740 . 3.680 2.585 1.957 3.109 . 0 0 "[ . 1 . 2]" 1
811 1 92 THR H 1 92 THR HB 2.770 . 3.740 2.557 2.132 3.274 . 0 0 "[ . 1 . 2]" 1
812 1 92 THR H 1 92 THR MG 3.225 . 4.650 3.320 1.864 3.795 . 0 0 "[ . 1 . 2]" 1
813 1 92 THR H 1 93 VAL H 3.565 . 5.330 4.594 4.415 4.675 . 0 0 "[ . 1 . 2]" 1
814 1 92 THR HA 1 93 VAL H 2.495 . 3.190 2.353 2.206 2.520 . 0 0 "[ . 1 . 2]" 1
815 1 92 THR HB 1 97 LEU QD 3.460 . 5.120 3.280 2.695 3.768 . 0 0 "[ . 1 . 2]" 1
816 1 92 THR MG 1 93 VAL H 2.915 . 4.030 2.624 1.781 3.283 0.019 20 0 "[ . 1 . 2]" 1
817 1 93 VAL H 1 93 VAL HB 2.930 . 4.060 2.714 2.305 3.544 . 0 0 "[ . 1 . 2]" 1
818 1 93 VAL H 1 93 VAL MG2 2.925 . 4.050 2.111 1.757 2.718 0.043 20 0 "[ . 1 . 2]" 1
819 1 93 VAL H 1 94 GLY H 3.650 . 5.500 4.390 3.527 4.721 . 0 0 "[ . 1 . 2]" 1
820 1 93 VAL HA 1 93 VAL MG1 2.915 . 4.030 2.237 2.023 2.431 . 0 0 "[ . 1 . 2]" 1
821 1 93 VAL HA 1 94 GLY H 2.635 . 3.470 2.346 2.214 2.678 . 0 0 "[ . 1 . 2]" 1
822 1 93 VAL HB 1 94 GLY H 3.620 . 5.440 3.961 2.884 4.504 . 0 0 "[ . 1 . 2]" 1
823 1 93 VAL MG1 1 94 GLY H 3.380 . 4.960 2.958 1.802 4.025 . 0 0 "[ . 1 . 2]" 1
824 1 93 VAL MG2 1 94 GLY H 3.650 . 5.500 4.160 3.825 4.338 . 0 0 "[ . 1 . 2]" 1
825 1 95 ALA H 1 95 ALA MB 2.990 . 4.180 2.733 2.391 2.923 . 0 0 "[ . 1 . 2]" 1
826 1 95 ALA HA 1 96 TYR H 2.715 . 3.630 2.768 2.253 3.599 . 0 0 "[ . 1 . 2]" 1
827 1 95 ALA MB 1 96 TYR H 3.130 . 4.460 2.479 1.794 3.427 0.006 14 0 "[ . 1 . 2]" 1
828 1 96 TYR H 1 96 TYR QB 2.960 . 4.120 2.632 2.314 3.267 . 0 0 "[ . 1 . 2]" 1
829 1 96 TYR H 1 96 TYR QD 3.350 . 4.900 3.908 2.209 4.414 . 0 0 "[ . 1 . 2]" 1
830 1 96 TYR H 1 97 LEU H 3.650 . 5.500 3.332 1.804 4.520 . 0 0 "[ . 1 . 2]" 1
831 1 96 TYR HA 1 96 TYR QD 3.135 . 4.470 2.279 1.790 3.670 0.010 14 0 "[ . 1 . 2]" 1
832 1 96 TYR HA 1 97 LEU H 2.660 . 3.520 2.678 2.206 3.586 0.066 2 0 "[ . 1 . 2]" 1
833 1 96 TYR QB 1 97 LEU H 3.420 . 5.040 3.487 1.842 4.082 . 0 0 "[ . 1 . 2]" 1
834 1 96 TYR QD 1 97 LEU H 3.425 . 5.050 3.395 2.131 4.552 . 0 0 "[ . 1 . 2]" 1
835 1 96 TYR QD 1 98 PRO HG3 3.530 . 5.260 3.853 2.501 4.740 . 0 0 "[ . 1 . 2]" 1
836 1 96 TYR QE 1 98 PRO HG2 3.650 . 5.500 4.639 3.485 5.274 . 0 0 "[ . 1 . 2]" 1
837 1 96 TYR QE 1 98 PRO HG3 3.500 . 5.200 3.240 2.114 3.998 . 0 0 "[ . 1 . 2]" 1
838 1 97 LEU H 1 97 LEU HB2 2.940 . 4.080 2.776 2.004 3.642 . 0 0 "[ . 1 . 2]" 1
839 1 97 LEU H 1 97 LEU HB3 2.960 . 4.120 3.501 2.512 4.080 . 0 0 "[ . 1 . 2]" 1
840 1 97 LEU H 1 97 LEU QD 3.650 . 5.500 2.829 1.972 3.920 . 0 0 "[ . 1 . 2]" 1
841 1 97 LEU HB2 1 97 LEU QD 2.820 . 3.840 2.150 1.903 2.404 . 0 0 "[ . 1 . 2]" 1
842 1 97 LEU HB3 1 97 LEU QD 2.825 . 3.850 2.100 1.939 2.415 . 0 0 "[ . 1 . 2]" 1
843 1 98 PRO QG 1 99 ALA H 3.585 . 5.370 3.938 1.920 4.853 . 0 0 "[ . 1 . 2]" 1
844 1 99 ALA H 1 99 ALA MB 2.975 . 4.150 2.452 1.924 2.887 . 0 0 "[ . 1 . 2]" 1
845 1 99 ALA H 1 100 VAL H 3.650 . 5.500 4.541 4.114 4.711 . 0 0 "[ . 1 . 2]" 1
846 1 99 ALA HA 1 100 VAL H 2.700 . 3.600 2.691 2.253 3.060 . 0 0 "[ . 1 . 2]" 1
847 1 99 ALA MB 1 100 VAL H 2.925 . 4.050 2.202 1.786 3.113 0.014 14 0 "[ . 1 . 2]" 1
848 1 99 ALA MB 1 101 PHE H 3.185 . 4.570 3.459 2.751 3.686 . 0 0 "[ . 1 . 2]" 1
849 1 99 ALA MB 1 102 GLU H 3.650 . 5.500 2.747 2.178 3.684 . 0 0 "[ . 1 . 2]" 1
850 1 99 ALA MB 1 102 GLU QB 3.210 . 4.620 2.239 1.586 3.401 0.214 9 0 "[ . 1 . 2]" 1
851 1 99 ALA MB 1 102 GLU QG 3.340 . 4.880 2.507 1.581 3.546 0.219 15 0 "[ . 1 . 2]" 1
852 1 100 VAL H 1 100 VAL HB 2.995 . 4.190 3.016 2.356 3.610 . 0 0 "[ . 1 . 2]" 1
853 1 100 VAL H 1 100 VAL QG 3.065 . 4.330 1.971 1.720 2.543 0.080 20 0 "[ . 1 . 2]" 1
854 1 100 VAL H 1 101 PHE H 3.450 . 5.100 2.496 1.944 3.233 . 0 0 "[ . 1 . 2]" 1
855 1 100 VAL HA 1 100 VAL QG 2.950 . 4.100 2.059 1.957 2.185 . 0 0 "[ . 1 . 2]" 1
856 1 100 VAL HA 1 102 GLU H 3.650 . 5.500 4.477 4.083 5.064 . 0 0 "[ . 1 . 2]" 1
857 1 100 VAL HB 1 101 PHE H 3.650 . 5.500 2.509 1.889 3.640 . 0 0 "[ . 1 . 2]" 1
858 1 101 PHE H 1 101 PHE QD 3.265 . 4.730 3.183 2.118 3.934 . 0 0 "[ . 1 . 2]" 1
859 1 101 PHE H 1 102 GLU H 3.435 . 5.070 2.678 1.869 3.661 . 0 0 "[ . 1 . 2]" 1
860 1 101 PHE HA 1 101 PHE QD 3.100 . 4.400 1.992 1.788 3.011 0.012 4 0 "[ . 1 . 2]" 1
861 1 101 PHE HA 1 101 PHE QE 3.455 . 5.110 4.251 4.042 4.552 . 0 0 "[ . 1 . 2]" 1
862 1 101 PHE QD 1 102 GLU H 3.515 . 5.230 4.419 4.066 4.783 . 0 0 "[ . 1 . 2]" 1
863 1 102 GLU H 1 102 GLU QB 2.915 . 4.030 2.435 1.953 3.163 . 0 0 "[ . 1 . 2]" 1
864 1 102 GLU H 1 102 GLU QG 3.425 . 5.050 3.135 1.827 4.158 . 0 0 "[ . 1 . 2]" 1
865 1 102 GLU HA 1 103 GLU H 2.660 . 3.520 2.290 2.199 2.431 . 0 0 "[ . 1 . 2]" 1
866 1 102 GLU QB 1 103 GLU H 3.490 . 5.180 3.257 2.520 3.870 . 0 0 "[ . 1 . 2]" 1
867 1 103 GLU H 1 103 GLU QB 2.905 . 4.010 2.522 2.110 3.114 . 0 0 "[ . 1 . 2]" 1
868 1 103 GLU H 1 103 GLU QG 3.235 . 4.670 3.248 1.837 4.240 . 0 0 "[ . 1 . 2]" 1
869 1 103 GLU H 1 104 VAL H 3.525 . 5.250 4.474 4.217 4.609 . 0 0 "[ . 1 . 2]" 1
870 1 103 GLU HA 1 103 GLU QG 2.900 . 4.000 2.522 1.908 3.402 . 0 0 "[ . 1 . 2]" 1
871 1 103 GLU HA 1 104 VAL H 2.540 . 3.280 2.378 2.215 2.511 . 0 0 "[ . 1 . 2]" 1
872 1 104 VAL H 1 104 VAL HB 2.980 . 4.160 2.904 2.251 3.608 . 0 0 "[ . 1 . 2]" 1
873 1 104 VAL H 1 104 VAL MG1 2.990 . 4.180 1.968 1.845 2.364 . 0 0 "[ . 1 . 2]" 1
874 1 104 VAL H 1 104 VAL MG2 3.070 . 4.340 3.145 1.942 3.761 . 0 0 "[ . 1 . 2]" 1
875 1 104 VAL HA 1 104 VAL MG1 2.995 . 4.190 2.927 2.404 3.195 . 0 0 "[ . 1 . 2]" 1
876 1 104 VAL HA 1 104 VAL MG2 2.815 . 3.830 2.626 2.119 3.193 . 0 0 "[ . 1 . 2]" 1
877 1 104 VAL HA 1 105 LEU H 2.610 . 3.420 2.263 2.210 2.325 . 0 0 "[ . 1 . 2]" 1
878 1 104 VAL HA 1 106 ASP H 3.470 . 5.140 3.863 3.588 4.300 . 0 0 "[ . 1 . 2]" 1
879 1 104 VAL HB 1 105 LEU H 3.650 . 5.500 3.811 2.918 4.316 . 0 0 "[ . 1 . 2]" 1
880 1 104 VAL MG1 1 106 ASP H 3.515 . 5.230 4.177 3.685 4.485 . 0 0 "[ . 1 . 2]" 1
881 1 104 VAL MG2 1 105 LEU H 3.185 . 4.570 2.705 1.964 3.742 . 0 0 "[ . 1 . 2]" 1
882 1 104 VAL MG2 1 106 ASP H 2.895 . 3.990 2.501 1.870 3.213 . 0 0 "[ . 1 . 2]" 1
883 1 104 VAL MG2 1 106 ASP HA 3.410 . 5.020 3.645 3.220 3.881 . 0 0 "[ . 1 . 2]" 1
884 1 105 LEU H 1 105 LEU HB3 2.840 . 3.880 3.596 3.477 3.666 . 0 0 "[ . 1 . 2]" 1
885 1 105 LEU H 1 105 LEU QD 3.240 . 4.680 2.017 1.744 2.498 0.056 2 0 "[ . 1 . 2]" 1
886 1 105 LEU H 1 106 ASP H 3.030 . 4.260 2.144 2.035 2.301 . 0 0 "[ . 1 . 2]" 1
887 1 105 LEU HA 1 105 LEU QD 3.470 . 5.140 2.312 1.815 3.188 . 0 0 "[ . 1 . 2]" 1
888 1 105 LEU HB2 1 106 ASP H 2.980 . 4.160 2.964 2.507 3.335 . 0 0 "[ . 1 . 2]" 1
889 1 105 LEU HB3 1 105 LEU QD 2.970 . 4.140 2.262 1.879 2.476 . 0 0 "[ . 1 . 2]" 1
890 1 105 LEU HB3 1 106 ASP H 3.170 . 4.540 3.959 3.269 4.385 . 0 0 "[ . 1 . 2]" 1
891 1 105 LEU QD 1 106 ASP H 3.475 . 5.150 3.428 3.062 3.828 . 0 0 "[ . 1 . 2]" 1
892 1 106 ASP H 1 107 LEU H 3.650 . 5.500 4.305 3.913 4.412 . 0 0 "[ . 1 . 2]" 1
893 1 106 ASP HA 1 107 LEU H 2.475 . 3.150 2.518 2.208 2.826 . 0 0 "[ . 1 . 2]" 1
894 1 106 ASP QB 1 107 LEU H 2.920 . 4.040 2.597 1.861 3.567 . 0 0 "[ . 1 . 2]" 1
895 1 107 LEU H 1 107 LEU HB2 2.950 . 4.100 2.956 2.023 3.906 . 0 0 "[ . 1 . 2]" 1
896 1 107 LEU H 1 107 LEU HB3 2.970 . 4.140 3.230 2.323 3.792 . 0 0 "[ . 1 . 2]" 1
897 1 107 LEU HA 1 107 LEU QD 3.200 . 4.600 2.856 1.700 3.450 0.100 5 0 "[ . 1 . 2]" 1
898 1 107 LEU HA 1 108 VAL H 2.535 . 3.270 2.275 2.228 2.416 . 0 0 "[ . 1 . 2]" 1
899 1 107 LEU HB2 1 108 VAL H 3.565 . 5.330 3.802 2.586 4.644 . 0 0 "[ . 1 . 2]" 1
900 1 107 LEU HB3 1 108 VAL H 3.390 . 4.980 3.786 2.909 4.302 . 0 0 "[ . 1 . 2]" 1
901 1 108 VAL H 1 108 VAL MG1 3.215 . 4.630 2.327 1.845 3.746 . 0 0 "[ . 1 . 2]" 1
902 1 108 VAL H 1 108 VAL MG2 3.295 . 4.790 3.702 2.817 3.901 . 0 0 "[ . 1 . 2]" 1
903 1 108 VAL H 1 109 ASP H 3.650 . 5.500 4.433 4.027 4.611 . 0 0 "[ . 1 . 2]" 1
904 1 108 VAL HA 1 108 VAL MG1 3.000 . 4.200 3.076 2.441 3.201 . 0 0 "[ . 1 . 2]" 1
905 1 108 VAL HA 1 108 VAL MG2 3.180 . 4.560 2.311 2.091 2.507 . 0 0 "[ . 1 . 2]" 1
906 1 108 VAL HA 1 109 ASP H 2.605 . 3.410 2.320 2.218 2.403 . 0 0 "[ . 1 . 2]" 1
907 1 108 VAL HB 1 109 ASP H 3.260 . 4.720 4.158 4.012 4.470 . 0 0 "[ . 1 . 2]" 1
908 1 108 VAL MG1 1 109 ASP H 3.550 . 5.300 3.526 2.090 4.204 . 0 0 "[ . 1 . 2]" 1
909 1 108 VAL MG2 1 109 ASP H 3.405 . 5.010 2.531 1.856 3.894 . 0 0 "[ . 1 . 2]" 1
910 1 109 ASP H 1 109 ASP HB2 2.855 . 3.910 2.805 1.937 3.712 . 0 0 "[ . 1 . 2]" 1
911 1 109 ASP H 1 109 ASP HB3 2.695 . 3.590 2.763 2.298 3.512 . 0 0 "[ . 1 . 2]" 1
912 1 109 ASP HA 1 110 ALA H 2.620 . 3.440 2.226 2.199 2.275 . 0 0 "[ . 1 . 2]" 1
913 1 109 ASP HB2 1 110 ALA H 3.460 . 5.120 4.285 3.410 4.683 . 0 0 "[ . 1 . 2]" 1
914 1 109 ASP HB3 1 110 ALA H 3.650 . 5.500 4.207 3.447 4.573 . 0 0 "[ . 1 . 2]" 1
915 1 110 ALA H 1 110 ALA MB 2.935 . 4.070 2.150 2.009 2.510 . 0 0 "[ . 1 . 2]" 1
916 1 110 ALA HA 1 111 VAL H 2.675 . 3.550 2.652 2.210 3.552 0.002 18 0 "[ . 1 . 2]" 1
917 1 110 ALA MB 1 111 VAL H 3.195 . 4.590 2.760 1.948 3.725 . 0 0 "[ . 1 . 2]" 1
918 1 111 VAL H 1 111 VAL HB 2.965 . 4.130 3.081 2.286 3.768 . 0 0 "[ . 1 . 2]" 1
919 1 111 VAL H 1 111 VAL QG 3.070 . 4.340 2.307 1.752 3.058 0.048 8 0 "[ . 1 . 2]" 1
920 1 111 VAL HA 1 111 VAL QG 2.970 . 4.140 2.156 1.949 2.371 . 0 0 "[ . 1 . 2]" 1
921 1 111 VAL HA 1 112 ILE H 2.675 . 3.550 2.682 2.212 3.539 . 0 0 "[ . 1 . 2]" 1
922 1 111 VAL HB 1 112 ILE H 3.595 . 5.390 3.624 1.851 4.639 . 0 0 "[ . 1 . 2]" 1
923 1 111 VAL QG 1 112 ILE H 3.455 . 5.110 2.533 1.772 3.525 0.028 7 0 "[ . 1 . 2]" 1
924 1 112 ILE H 1 112 ILE HB 2.970 . 4.140 2.870 2.301 3.845 . 0 0 "[ . 1 . 2]" 1
925 1 112 ILE H 1 113 LEU H 3.385 . 4.970 3.822 1.899 4.689 . 0 0 "[ . 1 . 2]" 1
926 1 112 ILE HA 1 113 LEU H 2.740 . 3.680 2.663 2.209 3.579 . 0 0 "[ . 1 . 2]" 1
927 1 112 ILE MG 1 113 LEU H 3.475 . 5.150 3.160 1.870 4.145 . 0 0 "[ . 1 . 2]" 1
928 1 113 LEU H 1 113 LEU QB 2.965 . 4.130 2.442 1.996 2.951 . 0 0 "[ . 1 . 2]" 1
929 1 113 LEU H 1 113 LEU QD 3.420 . 5.040 3.177 1.925 3.850 . 0 0 "[ . 1 . 2]" 1
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