NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
633457 |
6gd5   |
34261 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6gd5
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 1049
_Distance_constraint_stats_list.Viol_count 1837
_Distance_constraint_stats_list.Viol_total 2939.781
_Distance_constraint_stats_list.Viol_max 0.446
_Distance_constraint_stats_list.Viol_rms 0.0312
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0070
_Distance_constraint_stats_list.Viol_average_violations_only 0.0800
_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 ASP 1.858 0.261 19 0 "[ . 1 . 2]"
1 5 THR 1.730 0.199 8 0 "[ . 1 . 2]"
1 6 ASP 1.047 0.292 15 0 "[ . 1 . 2]"
1 7 GLN 0.840 0.243 17 0 "[ . 1 . 2]"
1 8 PRO 2.985 0.243 17 0 "[ . 1 . 2]"
1 9 ILE 1.746 0.104 3 0 "[ . 1 . 2]"
1 10 HIS 2.049 0.147 13 0 "[ . 1 . 2]"
1 11 ILE 14.591 0.346 5 0 "[ . 1 . 2]"
1 12 GLU 10.482 0.346 5 0 "[ . 1 . 2]"
1 13 SER 6.075 0.166 15 0 "[ . 1 . 2]"
1 14 ASP 1.412 0.157 20 0 "[ . 1 . 2]"
1 15 GLN 1.581 0.255 18 0 "[ . 1 . 2]"
1 16 GLN 4.118 0.226 15 0 "[ . 1 . 2]"
1 17 SER 0.884 0.144 18 0 "[ . 1 . 2]"
1 18 LEU 1.726 0.159 5 0 "[ . 1 . 2]"
1 19 ASP 0.024 0.014 18 0 "[ . 1 . 2]"
1 21 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 VAL 2.185 0.255 10 0 "[ . 1 . 2]"
1 25 VAL 4.203 0.233 15 0 "[ . 1 . 2]"
1 26 THR 1.056 0.159 5 0 "[ . 1 . 2]"
1 27 PHE 3.621 0.243 2 0 "[ . 1 . 2]"
1 28 THR 2.943 0.269 8 0 "[ . 1 . 2]"
1 29 GLY 1.172 0.148 2 0 "[ . 1 . 2]"
1 30 ASN 0.316 0.058 5 0 "[ . 1 . 2]"
1 31 VAL 5.187 0.148 2 0 "[ . 1 . 2]"
1 32 ILE 1.184 0.144 9 0 "[ . 1 . 2]"
1 33 VAL 1.647 0.255 15 0 "[ . 1 . 2]"
1 34 THR 1.155 0.255 15 0 "[ . 1 . 2]"
1 35 GLN 0.911 0.168 18 0 "[ . 1 . 2]"
1 36 GLY 0.514 0.135 10 0 "[ . 1 . 2]"
1 37 THR 1.825 0.287 19 0 "[ . 1 . 2]"
1 38 ILE 3.301 0.287 19 0 "[ . 1 . 2]"
1 39 LYS 0.843 0.221 12 0 "[ . 1 . 2]"
1 40 ILE 0.784 0.221 12 0 "[ . 1 . 2]"
1 41 ASN 1.750 0.119 10 0 "[ . 1 . 2]"
1 42 ALA 3.194 0.180 8 0 "[ . 1 . 2]"
1 43 ASP 0.719 0.184 5 0 "[ . 1 . 2]"
1 44 LYS 3.068 0.188 4 0 "[ . 1 . 2]"
1 45 VAL 1.663 0.269 8 0 "[ . 1 . 2]"
1 46 VAL 3.414 0.243 2 0 "[ . 1 . 2]"
1 47 VAL 0.789 0.163 20 0 "[ . 1 . 2]"
1 48 THR 0.590 0.132 2 0 "[ . 1 . 2]"
1 49 ARG 6.527 0.317 1 0 "[ . 1 . 2]"
1 52 GLY 0.769 0.236 17 0 "[ . 1 . 2]"
1 53 GLU 1.034 0.236 17 0 "[ . 1 . 2]"
1 54 GLN 0.099 0.099 11 0 "[ . 1 . 2]"
1 55 GLY 1.090 0.140 9 0 "[ . 1 . 2]"
1 56 LYS 2.220 0.207 2 0 "[ . 1 . 2]"
1 57 GLU 2.588 0.317 1 0 "[ . 1 . 2]"
1 58 VAL 0.201 0.149 15 0 "[ . 1 . 2]"
1 59 ILE 2.550 0.222 10 0 "[ . 1 . 2]"
1 60 ASP 0.355 0.065 6 0 "[ . 1 . 2]"
1 61 GLY 0.513 0.107 4 0 "[ . 1 . 2]"
1 62 TYR 0.552 0.110 20 0 "[ . 1 . 2]"
1 63 GLY 1.791 0.178 14 0 "[ . 1 . 2]"
1 64 LYS 1.601 0.171 4 0 "[ . 1 . 2]"
1 65 PRO 0.124 0.062 7 0 "[ . 1 . 2]"
1 66 ALA 1.321 0.108 11 0 "[ . 1 . 2]"
1 67 THR 3.383 0.312 7 0 "[ . 1 . 2]"
1 68 PHE 3.550 0.292 1 0 "[ . 1 . 2]"
1 69 TYR 1.584 0.146 3 0 "[ . 1 . 2]"
1 70 GLN 2.701 0.286 9 0 "[ . 1 . 2]"
1 71 MET 2.362 0.269 4 0 "[ . 1 . 2]"
1 72 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 GLY 0.446 0.446 17 0 "[ . 1 . 2]"
1 76 LYS 0.580 0.446 17 0 "[ . 1 . 2]"
1 77 PRO 2.631 0.312 13 0 "[ . 1 . 2]"
1 78 VAL 5.428 0.312 13 0 "[ . 1 . 2]"
1 79 GLU 0.820 0.124 15 0 "[ . 1 . 2]"
1 80 GLY 1.169 0.172 4 0 "[ . 1 . 2]"
1 81 HIS 0.894 0.179 16 0 "[ . 1 . 2]"
1 82 ALA 1.810 0.179 16 0 "[ . 1 . 2]"
1 83 SER 1.904 0.227 17 0 "[ . 1 . 2]"
1 84 GLN 4.660 0.357 17 0 "[ . 1 . 2]"
1 85 MET 0.425 0.067 9 0 "[ . 1 . 2]"
1 86 HIS 1.084 0.195 11 0 "[ . 1 . 2]"
1 87 TYR 0.527 0.254 5 0 "[ . 1 . 2]"
1 88 GLU 0.220 0.149 15 0 "[ . 1 . 2]"
1 89 LEU 1.156 0.222 10 0 "[ . 1 . 2]"
1 90 ALA 0.163 0.065 6 0 "[ . 1 . 2]"
1 91 LYS 0.099 0.056 13 0 "[ . 1 . 2]"
1 92 ASP 0.166 0.087 14 0 "[ . 1 . 2]"
1 93 PHE 0.166 0.087 14 0 "[ . 1 . 2]"
1 94 VAL 0.694 0.254 5 0 "[ . 1 . 2]"
1 95 VAL 2.806 0.313 7 0 "[ . 1 . 2]"
1 96 LEU 3.916 0.313 7 0 "[ . 1 . 2]"
1 97 THR 3.478 0.357 17 0 "[ . 1 . 2]"
1 98 GLY 0.165 0.088 16 0 "[ . 1 . 2]"
1 99 ASN 0.431 0.154 15 0 "[ . 1 . 2]"
1 100 ALA 3.381 0.204 20 0 "[ . 1 . 2]"
1 101 TYR 3.345 0.227 15 0 "[ . 1 . 2]"
1 102 LEU 2.324 0.208 12 0 "[ . 1 . 2]"
1 103 GLN 1.883 0.216 2 0 "[ . 1 . 2]"
1 104 GLN 2.937 0.339 18 0 "[ . 1 . 2]"
1 105 VAL 1.133 0.254 11 0 "[ . 1 . 2]"
1 106 ASP 3.088 0.214 18 0 "[ . 1 . 2]"
1 107 SER 5.982 0.339 18 0 "[ . 1 . 2]"
1 108 ASN 1.253 0.281 1 0 "[ . 1 . 2]"
1 109 ILE 3.615 0.281 1 0 "[ . 1 . 2]"
1 110 LYS 7.288 0.394 13 0 "[ . 1 . 2]"
1 111 GLY 4.815 0.375 19 0 "[ . 1 . 2]"
1 112 ASP 0.431 0.154 15 0 "[ . 1 . 2]"
1 113 LYS 0.396 0.104 14 0 "[ . 1 . 2]"
1 114 ILE 6.673 0.375 19 0 "[ . 1 . 2]"
1 115 THR 0.085 0.048 9 0 "[ . 1 . 2]"
1 116 TYR 0.085 0.048 9 0 "[ . 1 . 2]"
2 3 LYS 1.392 0.175 4 0 "[ . 1 . 2]"
2 4 LYS 0.116 0.088 1 0 "[ . 1 . 2]"
2 5 PRO 3.269 0.256 11 0 "[ . 1 . 2]"
2 6 VAL 7.929 0.292 15 0 "[ . 1 . 2]"
2 7 PRO 0.429 0.116 1 0 "[ . 1 . 2]"
2 8 ILE 3.831 0.240 12 0 "[ . 1 . 2]"
2 9 ILE 5.037 0.377 20 0 "[ . 1 . 2]"
2 10 TYR 6.298 0.226 15 0 "[ . 1 . 2]"
2 11 CYS 13.956 0.340 8 0 "[ . 1 . 2]"
2 12 ASN 4.631 0.323 6 0 "[ . 1 . 2]"
2 13 ARG 0.777 0.180 3 0 "[ . 1 . 2]"
2 14 ARG 2.175 0.313 6 0 "[ . 1 . 2]"
2 15 THR 0.619 0.091 15 0 "[ . 1 . 2]"
2 16 GLY 0.232 0.061 1 0 "[ . 1 . 2]"
2 17 LYS 3.144 0.408 2 0 "[ . 1 . 2]"
2 18 CYS 0.484 0.168 8 0 "[ . 1 . 2]"
2 19 GLN 1.804 0.377 20 0 "[ . 1 . 2]"
2 20 ARG 1.113 0.193 13 0 "[ . 1 . 2]"
2 21 MET 5.115 0.281 19 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 ASP H 1 4 ASP HB2 . . 3.810 3.048 2.269 3.834 0.024 9 0 "[ . 1 . 2]" 1
2 1 4 ASP H 1 4 ASP QB . . 3.300 2.612 2.244 3.078 . 0 0 "[ . 1 . 2]" 1
3 1 4 ASP H 1 4 ASP HB3 . . 3.810 3.170 2.407 3.603 . 0 0 "[ . 1 . 2]" 1
4 1 4 ASP H 1 5 THR H . . 3.730 2.669 2.175 3.078 . 0 0 "[ . 1 . 2]" 1
5 1 4 ASP H 1 5 THR HA . . 5.500 5.182 4.704 5.517 0.017 19 0 "[ . 1 . 2]" 1
6 1 4 ASP H 1 5 THR MG . . 4.360 3.973 3.401 4.436 0.076 14 0 "[ . 1 . 2]" 1
7 1 4 ASP H 1 38 ILE MD . . 4.450 4.308 2.280 4.711 0.261 19 0 "[ . 1 . 2]" 1
8 1 4 ASP QB 1 5 THR H . . 3.620 2.858 1.785 3.632 0.012 16 0 "[ . 1 . 2]" 1
9 1 4 ASP QB 1 5 THR MG . . 5.300 3.977 2.700 4.952 . 0 0 "[ . 1 . 2]" 1
10 1 4 ASP QB 1 38 ILE MD . . 4.550 2.185 1.800 3.582 . 0 0 "[ . 1 . 2]" 1
11 1 4 ASP HB2 1 5 THR H . . 4.190 3.143 2.168 4.000 . 0 0 "[ . 1 . 2]" 1
12 1 4 ASP HB2 1 38 ILE MD . . 5.370 2.507 1.950 3.763 . 0 0 "[ . 1 . 2]" 1
13 1 4 ASP HB3 1 5 THR H . . 4.190 3.689 1.792 4.389 0.199 8 0 "[ . 1 . 2]" 1
14 1 4 ASP HB3 1 38 ILE MD . . 5.370 2.793 1.976 4.498 . 0 0 "[ . 1 . 2]" 1
15 1 5 THR H 1 5 THR MG . . 3.340 2.161 1.797 2.673 . 0 0 "[ . 1 . 2]" 1
16 1 5 THR H 1 38 ILE MD . . 5.240 4.543 3.178 5.329 0.089 15 0 "[ . 1 . 2]" 1
17 1 5 THR HA 1 35 GLN HE21 . . 5.050 2.829 1.794 4.292 . 0 0 "[ . 1 . 2]" 1
18 1 5 THR HA 2 6 VAL MG2 . . 4.300 4.100 3.093 4.478 0.178 13 0 "[ . 1 . 2]" 1
19 1 6 ASP H 1 6 ASP HB2 . . 3.570 2.745 2.287 3.633 0.063 16 0 "[ . 1 . 2]" 1
20 1 6 ASP H 1 6 ASP HB3 . . 3.570 2.807 2.392 3.667 0.097 14 0 "[ . 1 . 2]" 1
21 1 6 ASP HA 2 6 VAL MG1 . . 3.440 3.259 2.545 3.732 0.292 15 0 "[ . 1 . 2]" 1
22 1 6 ASP QB 1 7 GLN H . . 4.410 3.061 2.577 3.730 . 0 0 "[ . 1 . 2]" 1
23 1 7 GLN H 1 7 GLN HB2 . . 3.750 2.539 2.355 3.744 . 0 0 "[ . 1 . 2]" 1
24 1 7 GLN H 1 7 GLN QB . . 3.270 2.440 2.239 2.836 . 0 0 "[ . 1 . 2]" 1
25 1 7 GLN H 1 7 GLN HB3 . . 3.750 3.518 2.640 3.757 0.007 15 0 "[ . 1 . 2]" 1
26 1 7 GLN H 1 8 PRO QD . . 5.270 4.384 4.256 4.427 . 0 0 "[ . 1 . 2]" 1
27 1 7 GLN H 2 6 VAL MG1 . . 4.160 3.793 2.937 4.247 0.087 12 0 "[ . 1 . 2]" 1
28 1 7 GLN HA 1 8 PRO QD . . 3.560 2.084 1.975 2.209 . 0 0 "[ . 1 . 2]" 1
29 1 7 GLN QB 1 8 PRO HA . . 4.600 4.584 4.462 4.843 0.243 17 0 "[ . 1 . 2]" 1
30 1 7 GLN QB 1 8 PRO QD . . 3.890 2.314 1.912 3.375 . 0 0 "[ . 1 . 2]" 1
31 1 8 PRO HA 1 9 ILE H . . 3.290 2.192 2.104 2.352 . 0 0 "[ . 1 . 2]" 1
32 1 8 PRO HA 2 6 VAL HB . . 3.920 1.918 1.801 2.173 . 0 0 "[ . 1 . 2]" 1
33 1 8 PRO HA 2 6 VAL MG1 . . 4.660 3.192 3.002 3.361 . 0 0 "[ . 1 . 2]" 1
34 1 8 PRO HA 2 6 VAL MG2 . . 3.760 2.378 2.143 2.724 . 0 0 "[ . 1 . 2]" 1
35 1 8 PRO HB2 1 9 ILE H . . 3.490 3.194 2.609 3.518 0.028 8 0 "[ . 1 . 2]" 1
36 1 8 PRO HB2 2 6 VAL MG2 . . 4.550 4.479 4.180 4.628 0.078 11 0 "[ . 1 . 2]" 1
37 1 8 PRO HB2 2 9 ILE H . . 5.460 4.025 3.400 4.738 . 0 0 "[ . 1 . 2]" 1
38 1 8 PRO HB2 2 9 ILE MD . . 4.520 3.029 2.044 3.950 . 0 0 "[ . 1 . 2]" 1
39 1 8 PRO HB3 1 9 ILE H . . 4.210 3.739 3.376 3.976 . 0 0 "[ . 1 . 2]" 1
40 1 8 PRO HB3 2 6 VAL MG1 . . 3.930 4.020 3.759 4.118 0.188 13 0 "[ . 1 . 2]" 1
41 1 9 ILE H 1 9 ILE HB . . 3.500 2.569 2.485 2.637 . 0 0 "[ . 1 . 2]" 1
42 1 9 ILE H 1 9 ILE QG . . 3.610 2.086 1.902 2.268 . 0 0 "[ . 1 . 2]" 1
43 1 9 ILE H 1 9 ILE MG . . 3.820 3.776 3.754 3.824 0.004 16 0 "[ . 1 . 2]" 1
44 1 9 ILE H 2 6 VAL HB . . 3.980 3.582 3.377 3.832 . 0 0 "[ . 1 . 2]" 1
45 1 9 ILE H 2 6 VAL MG2 . . 3.140 2.620 2.185 2.976 . 0 0 "[ . 1 . 2]" 1
46 1 9 ILE H 2 9 ILE H . . 4.370 4.052 3.856 4.405 0.035 19 0 "[ . 1 . 2]" 1
47 1 9 ILE HA 1 10 HIS H . . 2.910 2.177 2.119 2.254 . 0 0 "[ . 1 . 2]" 1
48 1 9 ILE HB 1 9 ILE MD . . 3.660 2.445 2.394 2.468 . 0 0 "[ . 1 . 2]" 1
49 1 9 ILE HB 1 10 HIS H . . 4.260 4.045 3.867 4.224 . 0 0 "[ . 1 . 2]" 1
50 1 9 ILE HB 1 11 ILE MD . . 5.230 4.543 4.155 4.915 . 0 0 "[ . 1 . 2]" 1
51 1 9 ILE HB 1 59 ILE MD . . 3.690 3.595 3.336 3.740 0.050 9 0 "[ . 1 . 2]" 1
52 1 9 ILE HB 2 8 ILE QG . . 4.180 2.179 1.922 2.611 . 0 0 "[ . 1 . 2]" 1
53 1 9 ILE HB 2 8 ILE MG . . 3.540 2.359 2.076 3.078 . 0 0 "[ . 1 . 2]" 1
54 1 9 ILE HB 2 9 ILE H . . 4.840 3.678 3.441 3.943 . 0 0 "[ . 1 . 2]" 1
55 1 9 ILE MD 1 35 GLN HE21 . . 5.190 3.814 2.369 4.945 . 0 0 "[ . 1 . 2]" 1
56 1 9 ILE MD 1 59 ILE HB . . 4.950 4.717 4.253 5.043 0.093 3 0 "[ . 1 . 2]" 1
57 1 9 ILE MD 1 59 ILE QG . . 3.810 3.768 3.483 3.899 0.089 3 0 "[ . 1 . 2]" 1
58 1 9 ILE MD 1 87 TYR QE . . 4.820 2.453 2.023 3.088 . 0 0 "[ . 1 . 2]" 1
59 1 9 ILE MD 1 89 LEU QD . . 3.990 2.131 1.762 2.791 . 0 0 "[ . 1 . 2]" 1
60 1 9 ILE MD 2 6 VAL MG2 . . 3.080 3.085 2.836 3.184 0.104 3 0 "[ . 1 . 2]" 1
61 1 9 ILE QG 1 10 HIS H . . 4.890 4.153 4.023 4.219 . 0 0 "[ . 1 . 2]" 1
62 1 9 ILE QG 1 87 TYR QE . . 4.040 3.593 2.783 4.107 0.067 19 0 "[ . 1 . 2]" 1
63 1 9 ILE QG 1 89 LEU QD . . 3.990 3.127 2.594 3.996 0.006 12 0 "[ . 1 . 2]" 1
64 1 9 ILE QG 2 6 VAL MG2 . . 3.440 2.307 2.054 2.425 . 0 0 "[ . 1 . 2]" 1
65 1 9 ILE MG 1 10 HIS H . . 3.330 2.505 2.252 2.769 . 0 0 "[ . 1 . 2]" 1
66 1 10 HIS H 1 10 HIS HB2 . . 3.780 2.539 2.432 2.621 . 0 0 "[ . 1 . 2]" 1
67 1 10 HIS H 1 10 HIS QB . . 3.280 2.497 2.394 2.574 . 0 0 "[ . 1 . 2]" 1
68 1 10 HIS H 1 10 HIS HB3 . . 3.780 3.690 3.531 3.760 . 0 0 "[ . 1 . 2]" 1
69 1 10 HIS H 1 11 ILE HG13 . . 5.500 5.141 4.766 5.304 . 0 0 "[ . 1 . 2]" 1
70 1 10 HIS H 1 33 VAL QG . . 3.770 3.807 3.672 3.913 0.143 6 0 "[ . 1 . 2]" 1
71 1 10 HIS H 1 34 THR H . . 4.680 3.543 3.151 4.100 . 0 0 "[ . 1 . 2]" 1
72 1 10 HIS HA 1 11 ILE H . . 3.090 2.113 2.087 2.136 . 0 0 "[ . 1 . 2]" 1
73 1 10 HIS HA 2 9 ILE H . . 3.380 3.273 2.981 3.412 0.032 12 0 "[ . 1 . 2]" 1
74 1 10 HIS HA 2 9 ILE HB . . 3.890 3.097 2.847 3.522 . 0 0 "[ . 1 . 2]" 1
75 1 10 HIS HA 2 9 ILE MG . . 4.960 4.246 3.952 4.736 . 0 0 "[ . 1 . 2]" 1
76 1 10 HIS HA 2 11 CYS H . . 5.500 4.716 4.304 5.222 . 0 0 "[ . 1 . 2]" 1
77 1 10 HIS QB 1 11 ILE H . . 3.950 3.386 3.198 3.511 . 0 0 "[ . 1 . 2]" 1
78 1 10 HIS QB 1 34 THR H . . 4.310 3.599 3.305 3.840 . 0 0 "[ . 1 . 2]" 1
79 1 10 HIS HB2 1 34 THR H . . 5.130 3.821 3.475 4.098 . 0 0 "[ . 1 . 2]" 1
80 1 10 HIS HB3 1 34 THR H . . 5.130 4.422 4.137 4.698 . 0 0 "[ . 1 . 2]" 1
81 1 10 HIS HE1 2 9 ILE HB . . 3.740 3.741 3.230 3.887 0.147 13 0 "[ . 1 . 2]" 1
82 1 10 HIS HE1 2 9 ILE MD . . 3.380 2.599 2.094 3.387 0.007 6 0 "[ . 1 . 2]" 1
83 1 11 ILE H 1 11 ILE HB . . 3.760 2.821 2.750 2.905 . 0 0 "[ . 1 . 2]" 1
84 1 11 ILE H 1 11 ILE MD . . 4.360 3.732 3.643 3.916 . 0 0 "[ . 1 . 2]" 1
85 1 11 ILE H 1 11 ILE HG12 . . 3.700 2.890 2.712 3.014 . 0 0 "[ . 1 . 2]" 1
86 1 11 ILE H 1 11 ILE HG13 . . 3.930 2.069 1.956 2.325 . 0 0 "[ . 1 . 2]" 1
87 1 11 ILE H 1 11 ILE MG . . 4.160 3.813 3.784 3.874 . 0 0 "[ . 1 . 2]" 1
88 1 11 ILE H 1 12 GLU H . . 5.080 4.218 3.967 4.452 . 0 0 "[ . 1 . 2]" 1
89 1 11 ILE H 2 9 ILE H . . 4.690 4.262 4.022 4.517 . 0 0 "[ . 1 . 2]" 1
90 1 11 ILE H 2 9 ILE HB . . 4.930 4.319 4.009 4.599 . 0 0 "[ . 1 . 2]" 1
91 1 11 ILE H 2 9 ILE MG . . 5.290 4.624 4.171 4.961 . 0 0 "[ . 1 . 2]" 1
92 1 11 ILE H 2 10 TYR HA . . 3.460 2.841 2.593 3.116 . 0 0 "[ . 1 . 2]" 1
93 1 11 ILE H 2 10 TYR HB3 . . 5.280 5.115 4.829 5.351 0.071 19 0 "[ . 1 . 2]" 1
94 1 11 ILE H 2 10 TYR QD . . 4.330 4.026 3.652 4.361 0.031 19 0 "[ . 1 . 2]" 1
95 1 11 ILE H 2 11 CYS H . . 3.740 3.118 2.884 3.510 . 0 0 "[ . 1 . 2]" 1
96 1 11 ILE HA 1 12 GLU H . . 2.990 2.177 2.148 2.232 . 0 0 "[ . 1 . 2]" 1
97 1 11 ILE HA 1 59 ILE MD . . 5.500 5.422 4.726 5.652 0.152 19 0 "[ . 1 . 2]" 1
98 1 11 ILE HB 2 10 TYR HA . . 3.910 2.503 2.298 2.711 . 0 0 "[ . 1 . 2]" 1
99 1 11 ILE HB 2 10 TYR HB3 . . 5.360 3.610 3.379 3.772 . 0 0 "[ . 1 . 2]" 1
100 1 11 ILE HB 2 10 TYR QD . . 3.700 3.174 2.819 3.408 . 0 0 "[ . 1 . 2]" 1
101 1 11 ILE HB 2 10 TYR QE . . 5.500 5.210 4.870 5.529 0.029 19 0 "[ . 1 . 2]" 1
102 1 11 ILE HB 2 11 CYS H . . 3.980 2.823 2.739 2.959 . 0 0 "[ . 1 . 2]" 1
103 1 11 ILE MD 1 11 ILE MG . . 3.720 1.873 1.823 1.913 . 0 0 "[ . 1 . 2]" 1
104 1 11 ILE MD 1 12 GLU H . . 5.120 5.342 5.080 5.466 0.346 5 0 "[ . 1 . 2]" 1
105 1 11 ILE MD 1 16 GLN QE . . 5.310 5.043 4.163 5.375 0.065 9 0 "[ . 1 . 2]" 1
106 1 11 ILE MD 1 27 PHE QE . . 3.940 2.522 2.338 2.740 . 0 0 "[ . 1 . 2]" 1
107 1 11 ILE MD 1 27 PHE HZ . . 5.380 2.542 2.221 2.955 . 0 0 "[ . 1 . 2]" 1
108 1 11 ILE MD 1 47 VAL QG . . 3.800 2.184 1.883 2.483 . 0 0 "[ . 1 . 2]" 1
109 1 11 ILE MD 2 8 ILE HB . . 5.500 4.480 4.026 5.171 . 0 0 "[ . 1 . 2]" 1
110 1 11 ILE MD 2 8 ILE MG . . 3.170 2.178 1.857 2.644 . 0 0 "[ . 1 . 2]" 1
111 1 11 ILE MD 2 10 TYR H . . 5.440 4.924 4.711 5.181 . 0 0 "[ . 1 . 2]" 1
112 1 11 ILE MD 2 10 TYR HA . . 3.760 3.313 3.150 3.503 . 0 0 "[ . 1 . 2]" 1
113 1 11 ILE MD 2 10 TYR HB3 . . 3.830 3.849 3.679 3.986 0.156 17 0 "[ . 1 . 2]" 1
114 1 11 ILE MD 2 10 TYR QD . . 3.460 1.961 1.833 2.072 . 0 0 "[ . 1 . 2]" 1
115 1 11 ILE MD 2 11 CYS H . . 5.500 4.609 4.482 4.746 . 0 0 "[ . 1 . 2]" 1
116 1 11 ILE HG12 2 10 TYR QD . . 4.310 3.952 3.783 4.235 . 0 0 "[ . 1 . 2]" 1
117 1 11 ILE HG13 2 8 ILE MG . . 3.600 2.864 2.456 3.392 . 0 0 "[ . 1 . 2]" 1
118 1 11 ILE HG13 2 10 TYR H . . 5.110 4.668 4.437 4.889 . 0 0 "[ . 1 . 2]" 1
119 1 11 ILE HG13 2 11 CYS H . . 3.700 4.002 3.946 4.040 0.340 8 0 "[ . 1 . 2]" 1
120 1 11 ILE MG 1 12 GLU H . . 3.470 3.112 2.544 3.374 . 0 0 "[ . 1 . 2]" 1
121 1 11 ILE MG 1 27 PHE HB2 . . 4.710 3.815 3.611 4.108 . 0 0 "[ . 1 . 2]" 1
122 1 11 ILE MG 1 27 PHE QD . . 5.160 3.107 3.001 3.295 . 0 0 "[ . 1 . 2]" 1
123 1 11 ILE MG 1 31 VAL HB . . 5.500 4.281 4.107 4.512 . 0 0 "[ . 1 . 2]" 1
124 1 11 ILE MG 1 31 VAL MG1 . . 3.930 2.078 1.964 2.237 . 0 0 "[ . 1 . 2]" 1
125 1 11 ILE MG 1 32 ILE H . . 4.600 4.259 3.811 4.592 . 0 0 "[ . 1 . 2]" 1
126 1 11 ILE MG 1 33 VAL QG . . 3.430 1.874 1.780 1.963 . 0 0 "[ . 1 . 2]" 1
127 1 11 ILE MG 1 45 VAL HB . . 5.500 3.648 3.327 3.869 . 0 0 "[ . 1 . 2]" 1
128 1 11 ILE MG 2 10 TYR QD . . 3.980 3.950 3.680 4.063 0.083 18 0 "[ . 1 . 2]" 1
129 1 11 ILE MG 2 11 CYS H . . 4.080 4.164 4.100 4.226 0.146 3 0 "[ . 1 . 2]" 1
130 1 12 GLU H 1 12 GLU HB2 . . 4.070 2.888 2.380 3.811 . 0 0 "[ . 1 . 2]" 1
131 1 12 GLU H 1 12 GLU HB3 . . 4.070 3.530 2.975 3.747 . 0 0 "[ . 1 . 2]" 1
132 1 12 GLU H 1 31 VAL MG1 . . 3.430 3.507 3.360 3.571 0.141 11 0 "[ . 1 . 2]" 1
133 1 12 GLU H 1 33 VAL QG . . 4.990 3.808 3.549 4.118 . 0 0 "[ . 1 . 2]" 1
134 1 12 GLU H 2 11 CYS H . . 4.730 4.587 4.412 4.740 0.010 6 0 "[ . 1 . 2]" 1
135 1 12 GLU HA 1 13 SER H . . 2.850 2.097 2.032 2.175 . 0 0 "[ . 1 . 2]" 1
136 1 12 GLU HA 2 11 CYS H . . 3.150 3.260 3.078 3.458 0.308 10 0 "[ . 1 . 2]" 1
137 1 12 GLU HA 2 11 CYS QB . . 4.440 2.246 1.971 2.696 . 0 0 "[ . 1 . 2]" 1
138 1 12 GLU HA 2 13 ARG H . . 4.750 4.430 3.917 4.776 0.026 19 0 "[ . 1 . 2]" 1
139 1 12 GLU QB 1 13 SER H . . 3.380 3.438 3.350 3.522 0.142 8 0 "[ . 1 . 2]" 1
140 1 12 GLU QB 2 11 CYS H . . 5.340 4.973 4.315 5.379 0.039 10 0 "[ . 1 . 2]" 1
141 1 12 GLU QB 2 13 ARG H . . 4.620 4.356 3.618 4.724 0.104 18 0 "[ . 1 . 2]" 1
142 1 12 GLU QG 1 13 SER H . . 4.850 4.328 4.025 4.824 . 0 0 "[ . 1 . 2]" 1
143 1 12 GLU QG 2 11 CYS H . . 5.470 4.723 4.066 5.630 0.160 9 0 "[ . 1 . 2]" 1
144 1 13 SER H 1 14 ASP H . . 4.650 4.454 4.362 4.508 . 0 0 "[ . 1 . 2]" 1
145 1 13 SER H 1 16 GLN QG . . 5.200 4.436 3.412 5.275 0.075 12 0 "[ . 1 . 2]" 1
146 1 13 SER H 1 31 VAL MG1 . . 4.450 3.969 3.622 4.451 0.001 15 0 "[ . 1 . 2]" 1
147 1 13 SER H 2 11 CYS H . . 3.860 3.954 3.887 4.023 0.163 11 0 "[ . 1 . 2]" 1
148 1 13 SER H 2 11 CYS QB . . 4.160 3.776 3.567 4.178 0.018 9 0 "[ . 1 . 2]" 1
149 1 13 SER H 2 12 ASN H . . 4.700 4.733 4.597 4.804 0.104 18 0 "[ . 1 . 2]" 1
150 1 13 SER H 2 12 ASN HA . . 3.210 2.847 2.571 3.221 0.011 20 0 "[ . 1 . 2]" 1
151 1 13 SER H 2 13 ARG H . . 3.600 3.383 2.904 3.621 0.021 19 0 "[ . 1 . 2]" 1
152 1 13 SER HA 1 14 ASP H . . 3.220 2.328 2.150 2.541 . 0 0 "[ . 1 . 2]" 1
153 1 13 SER QB 1 14 ASP H . . 3.350 3.274 2.731 3.507 0.157 20 0 "[ . 1 . 2]" 1
154 1 13 SER QB 1 15 GLN H . . 3.600 3.459 2.464 3.699 0.099 12 0 "[ . 1 . 2]" 1
155 1 13 SER QB 1 31 VAL MG2 . . 4.710 2.722 2.412 3.532 . 0 0 "[ . 1 . 2]" 1
156 1 13 SER HB2 1 14 ASP H . . 4.040 3.917 3.780 4.097 0.057 15 0 "[ . 1 . 2]" 1
157 1 13 SER HB2 1 28 THR H . . 4.600 4.286 3.958 4.653 0.053 1 0 "[ . 1 . 2]" 1
158 1 13 SER HB3 1 14 ASP H . . 4.040 3.539 2.776 3.875 . 0 0 "[ . 1 . 2]" 1
159 1 13 SER HB3 1 28 THR H . . 4.600 3.999 2.957 4.631 0.031 5 0 "[ . 1 . 2]" 1
160 1 13 SER HG 1 14 ASP H . . 3.630 2.740 2.126 3.402 . 0 0 "[ . 1 . 2]" 1
161 1 13 SER HG 1 14 ASP QB . . 4.790 4.329 3.734 4.916 0.126 15 0 "[ . 1 . 2]" 1
162 1 13 SER HG 1 15 GLN H . . 3.730 3.181 2.374 3.896 0.166 15 0 "[ . 1 . 2]" 1
163 1 13 SER HG 1 27 PHE HB3 . . 4.110 2.783 1.868 3.350 . 0 0 "[ . 1 . 2]" 1
164 1 13 SER HG 1 27 PHE QD . . 4.420 3.517 2.598 4.140 . 0 0 "[ . 1 . 2]" 1
165 1 13 SER HG 1 28 THR H . . 3.340 2.873 2.275 3.380 0.040 14 0 "[ . 1 . 2]" 1
166 1 13 SER HG 1 31 VAL MG1 . . 3.920 3.206 2.435 3.990 0.070 5 0 "[ . 1 . 2]" 1
167 1 13 SER HG 1 31 VAL MG2 . . 3.440 1.992 1.737 3.264 . 0 0 "[ . 1 . 2]" 1
168 1 14 ASP H 1 14 ASP HB2 . . 3.850 2.665 2.551 2.856 . 0 0 "[ . 1 . 2]" 1
169 1 14 ASP H 1 14 ASP QB . . 3.340 2.273 2.211 2.362 . 0 0 "[ . 1 . 2]" 1
170 1 14 ASP H 1 14 ASP HB3 . . 3.850 2.471 2.324 2.573 . 0 0 "[ . 1 . 2]" 1
171 1 14 ASP H 1 15 GLN QB . . 4.890 4.533 4.210 5.013 0.123 14 0 "[ . 1 . 2]" 1
172 1 14 ASP H 1 29 GLY HA3 . . 4.500 3.898 3.423 4.542 0.042 19 0 "[ . 1 . 2]" 1
173 1 14 ASP H 1 31 VAL HA . . 4.820 4.087 3.711 4.391 . 0 0 "[ . 1 . 2]" 1
174 1 14 ASP H 1 31 VAL MG1 . . 4.980 4.678 4.342 5.017 0.037 9 0 "[ . 1 . 2]" 1
175 1 14 ASP H 1 31 VAL MG2 . . 3.990 3.679 3.259 4.048 0.058 3 0 "[ . 1 . 2]" 1
176 1 14 ASP HA 2 13 ARG H . . 3.310 3.070 2.525 3.375 0.065 5 0 "[ . 1 . 2]" 1
177 1 14 ASP QB 1 15 GLN H . . 3.500 2.577 2.219 2.841 . 0 0 "[ . 1 . 2]" 1
178 1 14 ASP HB2 1 15 GLN H . . 4.160 3.877 3.666 4.041 . 0 0 "[ . 1 . 2]" 1
179 1 14 ASP HB3 1 15 GLN H . . 4.160 2.618 2.238 2.902 . 0 0 "[ . 1 . 2]" 1
180 1 15 GLN H 1 15 GLN QB . . 3.230 2.544 2.351 2.762 . 0 0 "[ . 1 . 2]" 1
181 1 15 GLN H 1 29 GLY HA3 . . 4.690 3.812 3.368 4.325 . 0 0 "[ . 1 . 2]" 1
182 1 15 GLN HA 2 12 ASN HD21 . . 3.770 3.527 2.659 4.025 0.255 18 0 "[ . 1 . 2]" 1
183 1 15 GLN HA 2 12 ASN QD . . 3.150 2.656 2.218 3.121 . 0 0 "[ . 1 . 2]" 1
184 1 15 GLN HA 2 12 ASN HD22 . . 3.770 2.769 2.363 3.417 . 0 0 "[ . 1 . 2]" 1
185 1 16 GLN HA 1 17 SER H . . 2.990 2.212 2.104 2.439 . 0 0 "[ . 1 . 2]" 1
186 1 16 GLN QB 1 17 SER H . . 4.200 3.334 2.275 3.996 . 0 0 "[ . 1 . 2]" 1
187 1 16 GLN QB 1 25 VAL QG . . 4.800 3.490 2.343 4.540 . 0 0 "[ . 1 . 2]" 1
188 1 16 GLN QE 1 25 VAL QG . . 4.220 3.305 2.323 4.234 0.014 15 0 "[ . 1 . 2]" 1
189 1 16 GLN QE 2 10 TYR H . . 5.340 4.425 4.127 5.201 . 0 0 "[ . 1 . 2]" 1
190 1 16 GLN HE21 2 10 TYR QD . . 3.940 3.803 3.092 4.166 0.226 15 0 "[ . 1 . 2]" 1
191 1 16 GLN HE22 2 10 TYR QD . . 3.940 3.781 2.605 4.049 0.109 2 0 "[ . 1 . 2]" 1
192 1 16 GLN QG 1 17 SER H . . 4.130 3.845 2.706 4.269 0.139 9 0 "[ . 1 . 2]" 1
193 1 16 GLN QG 1 18 LEU QD . . 5.290 3.269 1.959 4.687 . 0 0 "[ . 1 . 2]" 1
194 1 16 GLN QG 1 25 VAL QG . . 4.530 3.402 2.525 4.304 . 0 0 "[ . 1 . 2]" 1
195 1 16 GLN QG 2 11 CYS H . . 5.060 4.925 4.273 5.236 0.176 18 0 "[ . 1 . 2]" 1
196 1 16 GLN QG 2 12 ASN H . . 5.500 4.958 4.289 5.628 0.128 11 0 "[ . 1 . 2]" 1
197 1 16 GLN QG 2 12 ASN QD . . 4.220 2.907 1.913 4.312 0.092 4 0 "[ . 1 . 2]" 1
198 1 17 SER H 1 17 SER QB . . 3.320 2.610 2.317 3.176 . 0 0 "[ . 1 . 2]" 1
199 1 17 SER H 1 18 LEU QD . . 4.480 3.720 2.921 4.624 0.144 18 0 "[ . 1 . 2]" 1
200 1 17 SER H 1 25 VAL QG . . 3.930 3.352 2.940 3.692 . 0 0 "[ . 1 . 2]" 1
201 1 18 LEU HA 1 19 ASP H . . 2.740 2.273 2.120 2.644 . 0 0 "[ . 1 . 2]" 1
202 1 18 LEU HA 1 25 VAL H . . 5.500 5.066 4.821 5.599 0.099 18 0 "[ . 1 . 2]" 1
203 1 18 LEU HA 1 26 THR H . . 3.900 3.332 2.983 3.957 0.057 18 0 "[ . 1 . 2]" 1
204 1 18 LEU QD 1 25 VAL QG . . 3.920 2.157 1.706 2.421 . 0 0 "[ . 1 . 2]" 1
205 1 18 LEU QD 1 26 THR H . . 4.330 4.223 3.833 4.432 0.102 6 0 "[ . 1 . 2]" 1
206 1 18 LEU QD 2 10 TYR QD . . 4.230 2.880 1.948 3.515 . 0 0 "[ . 1 . 2]" 1
207 1 18 LEU QD 2 10 TYR QE . . 3.460 3.328 2.420 3.584 0.124 6 0 "[ . 1 . 2]" 1
208 1 18 LEU QD 2 21 MET QB . . 5.340 4.262 2.828 5.340 . 0 0 "[ . 1 . 2]" 1
209 1 18 LEU HG 1 25 VAL QG . . 4.320 1.966 1.769 3.029 . 0 0 "[ . 1 . 2]" 1
210 1 18 LEU HG 1 26 THR H . . 4.770 4.551 3.979 4.929 0.159 5 0 "[ . 1 . 2]" 1
211 1 18 LEU HG 2 10 TYR QD . . 5.500 4.404 3.249 5.554 0.054 5 0 "[ . 1 . 2]" 1
212 1 19 ASP H 1 19 ASP QB . . 3.460 2.364 2.218 2.876 . 0 0 "[ . 1 . 2]" 1
213 1 19 ASP H 1 24 VAL H . . 4.760 4.037 3.274 4.774 0.014 18 0 "[ . 1 . 2]" 1
214 1 19 ASP QB 1 24 VAL H . . 4.520 3.068 1.922 3.813 . 0 0 "[ . 1 . 2]" 1
215 1 19 ASP HB2 1 24 VAL H . . 5.390 4.039 2.651 5.033 . 0 0 "[ . 1 . 2]" 1
216 1 19 ASP HB3 1 24 VAL H . . 5.390 3.242 1.973 4.914 . 0 0 "[ . 1 . 2]" 1
217 1 21 GLN QB 1 22 GLY H . . 4.510 2.781 2.251 3.544 . 0 0 "[ . 1 . 2]" 1
218 1 23 ASN H 1 24 VAL H . . 3.970 2.631 1.750 3.812 . 0 0 "[ . 1 . 2]" 1
219 1 24 VAL H 1 24 VAL HB . . 3.730 3.149 2.524 3.818 0.088 4 0 "[ . 1 . 2]" 1
220 1 24 VAL H 1 24 VAL MG1 . . 3.840 2.804 1.842 3.916 0.076 12 0 "[ . 1 . 2]" 1
221 1 24 VAL H 1 24 VAL QG . . 3.150 2.232 1.833 2.884 . 0 0 "[ . 1 . 2]" 1
222 1 24 VAL H 1 24 VAL MG2 . . 3.840 3.028 1.887 3.970 0.130 15 0 "[ . 1 . 2]" 1
223 1 24 VAL H 1 25 VAL H . . 4.640 4.267 3.985 4.613 . 0 0 "[ . 1 . 2]" 1
224 1 24 VAL H 1 49 ARG QB . . 4.850 4.808 4.162 5.105 0.255 10 0 "[ . 1 . 2]" 1
225 1 24 VAL HA 1 25 VAL H . . 2.960 2.148 2.102 2.241 . 0 0 "[ . 1 . 2]" 1
226 1 24 VAL QG 1 25 VAL H . . 3.790 2.961 2.391 3.629 . 0 0 "[ . 1 . 2]" 1
227 1 24 VAL QG 1 48 THR HA . . 3.390 2.573 1.967 3.354 . 0 0 "[ . 1 . 2]" 1
228 1 24 VAL MG1 1 25 VAL H . . 4.430 3.690 2.410 4.280 . 0 0 "[ . 1 . 2]" 1
229 1 24 VAL MG2 1 25 VAL H . . 4.430 3.472 2.416 4.236 . 0 0 "[ . 1 . 2]" 1
230 1 25 VAL H 1 25 VAL HB . . 3.610 2.789 2.555 3.278 . 0 0 "[ . 1 . 2]" 1
231 1 25 VAL H 1 25 VAL MG1 . . 4.120 3.408 1.975 3.928 . 0 0 "[ . 1 . 2]" 1
232 1 25 VAL H 1 25 VAL QG . . 3.380 2.330 1.969 2.647 . 0 0 "[ . 1 . 2]" 1
233 1 25 VAL H 1 25 VAL MG2 . . 4.120 2.801 2.242 3.882 . 0 0 "[ . 1 . 2]" 1
234 1 25 VAL H 1 26 THR H . . 4.750 4.402 4.157 4.541 . 0 0 "[ . 1 . 2]" 1
235 1 25 VAL H 1 46 VAL QG . . 4.840 4.063 3.493 4.480 . 0 0 "[ . 1 . 2]" 1
236 1 25 VAL H 1 47 VAL H . . 3.860 3.509 3.228 3.873 0.013 9 0 "[ . 1 . 2]" 1
237 1 25 VAL H 1 47 VAL HA . . 5.260 4.996 4.742 5.307 0.047 11 0 "[ . 1 . 2]" 1
238 1 25 VAL H 1 47 VAL HB . . 4.710 4.052 3.065 4.729 0.019 9 0 "[ . 1 . 2]" 1
239 1 25 VAL H 1 48 THR MG . . 5.500 5.319 4.373 5.585 0.085 11 0 "[ . 1 . 2]" 1
240 1 25 VAL H 1 49 ARG QB . . 4.520 4.494 3.693 4.753 0.233 15 0 "[ . 1 . 2]" 1
241 1 25 VAL HA 1 26 THR H . . 3.050 2.164 2.103 2.250 . 0 0 "[ . 1 . 2]" 1
242 1 25 VAL HB 1 26 THR H . . 4.960 4.074 3.882 4.319 . 0 0 "[ . 1 . 2]" 1
243 1 25 VAL HB 1 47 VAL H . . 5.500 4.151 3.326 5.652 0.152 11 0 "[ . 1 . 2]" 1
244 1 25 VAL HB 2 10 TYR QD . . 5.500 4.516 4.103 4.991 . 0 0 "[ . 1 . 2]" 1
245 1 25 VAL HB 2 10 TYR QE . . 4.050 3.906 3.345 4.143 0.093 20 0 "[ . 1 . 2]" 1
246 1 25 VAL QG 1 26 THR H . . 3.300 2.565 2.302 3.000 . 0 0 "[ . 1 . 2]" 1
247 1 25 VAL QG 1 47 VAL H . . 4.650 3.775 2.472 4.353 . 0 0 "[ . 1 . 2]" 1
248 1 25 VAL QG 1 47 VAL HB . . 5.120 3.612 1.786 4.709 . 0 0 "[ . 1 . 2]" 1
249 1 25 VAL QG 1 49 ARG QB . . 4.120 3.677 2.641 4.184 0.064 9 0 "[ . 1 . 2]" 1
250 1 25 VAL QG 2 10 TYR QE . . 3.610 2.422 2.026 2.866 . 0 0 "[ . 1 . 2]" 1
251 1 25 VAL QG 2 21 MET QG . . 4.020 3.716 2.345 4.237 0.217 11 0 "[ . 1 . 2]" 1
252 1 25 VAL MG1 1 26 THR H . . 4.110 2.951 2.316 4.139 0.029 8 0 "[ . 1 . 2]" 1
253 1 25 VAL MG1 2 10 TYR QD . . 3.940 3.293 2.928 3.819 . 0 0 "[ . 1 . 2]" 1
254 1 25 VAL MG1 2 10 TYR QE . . 4.850 3.456 2.679 3.961 . 0 0 "[ . 1 . 2]" 1
255 1 25 VAL MG2 1 26 THR H . . 4.110 3.716 2.394 4.181 0.071 1 0 "[ . 1 . 2]" 1
256 1 25 VAL MG2 2 10 TYR QD . . 3.940 3.232 2.822 3.912 . 0 0 "[ . 1 . 2]" 1
257 1 25 VAL MG2 2 10 TYR QE . . 4.850 2.694 2.039 3.912 . 0 0 "[ . 1 . 2]" 1
258 1 26 THR H 1 26 THR HB . . 3.680 2.642 2.518 3.109 . 0 0 "[ . 1 . 2]" 1
259 1 26 THR H 1 26 THR MG . . 4.220 3.755 2.208 3.877 . 0 0 "[ . 1 . 2]" 1
260 1 26 THR H 1 46 VAL QG . . 5.440 4.527 3.774 4.977 . 0 0 "[ . 1 . 2]" 1
261 1 26 THR HA 1 27 PHE H . . 3.150 2.138 2.097 2.206 . 0 0 "[ . 1 . 2]" 1
262 1 26 THR MG 1 27 PHE H . . 3.540 2.775 2.408 3.645 0.105 9 0 "[ . 1 . 2]" 1
263 1 27 PHE H 1 27 PHE HB2 . . 3.890 2.472 2.321 2.600 . 0 0 "[ . 1 . 2]" 1
264 1 27 PHE H 1 27 PHE QD . . 3.870 2.893 2.324 3.260 . 0 0 "[ . 1 . 2]" 1
265 1 27 PHE H 1 45 VAL H . . 4.010 3.401 3.071 3.724 . 0 0 "[ . 1 . 2]" 1
266 1 27 PHE H 1 45 VAL HB . . 4.310 3.852 3.646 4.132 . 0 0 "[ . 1 . 2]" 1
267 1 27 PHE H 1 46 VAL HA . . 3.920 3.067 2.899 3.274 . 0 0 "[ . 1 . 2]" 1
268 1 27 PHE H 1 46 VAL QG . . 4.250 3.433 3.137 3.801 . 0 0 "[ . 1 . 2]" 1
269 1 27 PHE H 1 47 VAL QG . . 5.050 4.440 3.962 4.838 . 0 0 "[ . 1 . 2]" 1
270 1 27 PHE HA 1 28 THR H . . 2.960 2.185 2.144 2.219 . 0 0 "[ . 1 . 2]" 1
271 1 27 PHE HB2 1 28 THR H . . 4.360 4.211 4.073 4.366 0.006 1 0 "[ . 1 . 2]" 1
272 1 27 PHE HB2 1 45 VAL H . . 4.230 2.841 2.489 3.367 . 0 0 "[ . 1 . 2]" 1
273 1 27 PHE HB2 1 46 VAL H . . 4.810 4.973 4.877 5.053 0.243 2 0 "[ . 1 . 2]" 1
274 1 27 PHE HB2 1 47 VAL QG . . 4.420 4.267 4.004 4.490 0.070 20 0 "[ . 1 . 2]" 1
275 1 27 PHE HB3 1 28 THR H . . 4.120 3.312 3.056 3.597 . 0 0 "[ . 1 . 2]" 1
276 1 27 PHE QD 1 28 THR H . . 4.430 4.075 3.810 4.326 . 0 0 "[ . 1 . 2]" 1
277 1 27 PHE QD 1 45 VAL H . . 5.460 4.483 4.175 4.949 . 0 0 "[ . 1 . 2]" 1
278 1 27 PHE QD 1 45 VAL HB . . 3.810 2.990 2.345 3.355 . 0 0 "[ . 1 . 2]" 1
279 1 27 PHE QD 1 46 VAL H . . 4.880 4.618 4.423 4.881 0.001 11 0 "[ . 1 . 2]" 1
280 1 27 PHE QD 1 46 VAL HA . . 4.840 3.515 3.022 4.106 . 0 0 "[ . 1 . 2]" 1
281 1 27 PHE QE 1 47 VAL QG . . 3.940 1.909 1.721 2.096 . 0 0 "[ . 1 . 2]" 1
282 1 27 PHE QE 2 10 TYR HB2 . . 4.140 3.715 3.464 4.037 . 0 0 "[ . 1 . 2]" 1
283 1 27 PHE QE 2 10 TYR HB3 . . 4.460 2.161 1.897 2.499 . 0 0 "[ . 1 . 2]" 1
284 1 27 PHE QE 2 10 TYR QD . . 3.620 3.387 3.129 3.512 . 0 0 "[ . 1 . 2]" 1
285 1 27 PHE QE 2 10 TYR QE . . 3.910 3.723 3.334 3.940 0.030 20 0 "[ . 1 . 2]" 1
286 1 27 PHE HZ 2 10 TYR HB2 . . 4.270 3.632 3.397 4.304 0.034 15 0 "[ . 1 . 2]" 1
287 1 27 PHE HZ 2 10 TYR QD . . 3.600 2.392 2.002 2.730 . 0 0 "[ . 1 . 2]" 1
288 1 28 THR H 1 28 THR MG . . 3.880 3.544 3.186 3.999 0.119 7 0 "[ . 1 . 2]" 1
289 1 28 THR H 1 31 VAL MG2 . . 3.920 3.357 3.071 3.590 . 0 0 "[ . 1 . 2]" 1
290 1 28 THR HA 1 29 GLY H . . 3.090 2.291 2.142 2.424 . 0 0 "[ . 1 . 2]" 1
291 1 28 THR HA 1 31 VAL MG2 . . 4.170 2.862 2.620 3.056 . 0 0 "[ . 1 . 2]" 1
292 1 28 THR HA 1 45 VAL H . . 4.230 3.517 3.187 3.844 . 0 0 "[ . 1 . 2]" 1
293 1 28 THR HB 1 29 GLY H . . 3.430 2.926 2.304 3.496 0.066 4 0 "[ . 1 . 2]" 1
294 1 28 THR MG 1 29 GLY H . . 3.730 3.033 1.903 3.663 . 0 0 "[ . 1 . 2]" 1
295 1 28 THR MG 1 31 VAL MG2 . . 4.110 4.045 3.859 4.180 0.070 18 0 "[ . 1 . 2]" 1
296 1 28 THR MG 1 44 LYS H . . 4.900 4.802 4.237 5.038 0.138 9 0 "[ . 1 . 2]" 1
297 1 28 THR MG 1 44 LYS QG . . 3.480 2.225 1.755 3.464 . 0 0 "[ . 1 . 2]" 1
298 1 28 THR MG 1 45 VAL H . . 3.800 3.712 3.379 4.069 0.269 8 0 "[ . 1 . 2]" 1
299 1 29 GLY H 1 30 ASN H . . 3.920 2.668 2.327 3.398 . 0 0 "[ . 1 . 2]" 1
300 1 29 GLY H 1 31 VAL MG2 . . 3.500 3.471 3.055 3.648 0.148 2 0 "[ . 1 . 2]" 1
301 1 29 GLY H 1 43 ASP HA . . 4.690 3.860 3.286 4.605 . 0 0 "[ . 1 . 2]" 1
302 1 30 ASN H 1 30 ASN HB2 . . 4.060 3.376 3.012 3.616 . 0 0 "[ . 1 . 2]" 1
303 1 30 ASN H 1 30 ASN HB3 . . 4.060 3.943 3.577 4.118 0.058 5 0 "[ . 1 . 2]" 1
304 1 30 ASN H 1 31 VAL H . . 3.750 3.389 3.195 3.616 . 0 0 "[ . 1 . 2]" 1
305 1 30 ASN H 1 31 VAL MG2 . . 4.470 3.524 3.255 3.809 . 0 0 "[ . 1 . 2]" 1
306 1 30 ASN H 1 43 ASP HA . . 3.930 2.682 2.320 3.527 . 0 0 "[ . 1 . 2]" 1
307 1 30 ASN HA 1 31 VAL H . . 3.050 2.203 2.105 2.354 . 0 0 "[ . 1 . 2]" 1
308 1 30 ASN HA 1 31 VAL MG2 . . 5.050 3.706 3.490 3.944 . 0 0 "[ . 1 . 2]" 1
309 1 30 ASN QB 1 31 VAL H . . 4.320 3.805 3.577 4.037 . 0 0 "[ . 1 . 2]" 1
310 1 31 VAL H 1 31 VAL HB . . 3.280 2.678 2.616 2.837 . 0 0 "[ . 1 . 2]" 1
311 1 31 VAL H 1 31 VAL MG2 . . 2.860 2.260 2.062 2.510 . 0 0 "[ . 1 . 2]" 1
312 1 31 VAL H 1 32 ILE H . . 4.650 4.359 4.212 4.443 . 0 0 "[ . 1 . 2]" 1
313 1 31 VAL H 1 43 ASP HA . . 4.170 2.758 1.990 3.492 . 0 0 "[ . 1 . 2]" 1
314 1 31 VAL HA 1 32 ILE H . . 3.120 2.112 2.079 2.148 . 0 0 "[ . 1 . 2]" 1
315 1 31 VAL HB 1 32 ILE H . . 4.000 4.054 3.997 4.144 0.144 9 0 "[ . 1 . 2]" 1
316 1 31 VAL HB 1 42 ALA H . . 3.670 3.363 3.039 3.626 . 0 0 "[ . 1 . 2]" 1
317 1 31 VAL HB 1 45 VAL MG2 . . 3.990 2.259 2.045 2.619 . 0 0 "[ . 1 . 2]" 1
318 1 31 VAL MG1 1 32 ILE H . . 3.120 2.714 2.586 2.966 . 0 0 "[ . 1 . 2]" 1
319 1 31 VAL MG1 1 45 VAL HB . . 4.080 2.458 2.064 2.925 . 0 0 "[ . 1 . 2]" 1
320 1 31 VAL MG2 1 42 ALA H . . 4.450 4.450 4.147 4.577 0.127 2 0 "[ . 1 . 2]" 1
321 1 32 ILE H 1 32 ILE HB . . 3.640 2.613 2.543 2.674 . 0 0 "[ . 1 . 2]" 1
322 1 32 ILE H 1 32 ILE QG . . 4.020 2.646 2.480 2.910 . 0 0 "[ . 1 . 2]" 1
323 1 32 ILE H 1 33 VAL HA . . 4.890 4.800 4.690 4.898 0.008 14 0 "[ . 1 . 2]" 1
324 1 32 ILE HA 1 32 ILE MG . . 3.650 2.393 2.343 2.451 . 0 0 "[ . 1 . 2]" 1
325 1 32 ILE HA 1 33 VAL H . . 3.000 2.143 2.091 2.190 . 0 0 "[ . 1 . 2]" 1
326 1 32 ILE HA 1 40 ILE H . . 5.170 4.584 4.168 5.189 0.019 5 0 "[ . 1 . 2]" 1
327 1 32 ILE MG 1 33 VAL H . . 3.380 3.092 2.592 3.280 . 0 0 "[ . 1 . 2]" 1
328 1 32 ILE MG 1 34 THR MG . . 3.610 3.062 1.941 3.616 0.006 14 0 "[ . 1 . 2]" 1
329 1 32 ILE MG 1 39 LYS QE . . 4.550 3.310 1.881 4.604 0.054 12 0 "[ . 1 . 2]" 1
330 1 32 ILE MG 1 40 ILE H . . 4.450 3.689 2.938 4.342 . 0 0 "[ . 1 . 2]" 1
331 1 33 VAL H 1 33 VAL HB . . 3.590 2.671 2.598 2.764 . 0 0 "[ . 1 . 2]" 1
332 1 33 VAL H 1 33 VAL QG . . 3.530 2.188 2.053 2.430 . 0 0 "[ . 1 . 2]" 1
333 1 33 VAL H 1 34 THR MG . . 5.360 5.170 4.457 5.615 0.255 15 0 "[ . 1 . 2]" 1
334 1 33 VAL H 1 40 ILE HB . . 3.940 3.053 2.422 3.454 . 0 0 "[ . 1 . 2]" 1
335 1 33 VAL HA 1 34 THR H . . 2.970 2.157 2.127 2.191 . 0 0 "[ . 1 . 2]" 1
336 1 33 VAL HA 1 40 ILE H . . 5.500 4.718 4.381 5.025 . 0 0 "[ . 1 . 2]" 1
337 1 33 VAL HB 1 34 THR H . . 4.620 4.265 4.105 4.363 . 0 0 "[ . 1 . 2]" 1
338 1 33 VAL HB 1 40 ILE H . . 4.210 3.199 2.518 3.827 . 0 0 "[ . 1 . 2]" 1
339 1 33 VAL HB 1 40 ILE HB . . 4.200 1.901 1.798 2.050 . 0 0 "[ . 1 . 2]" 1
340 1 33 VAL HB 1 40 ILE MG . . 3.880 3.373 2.822 3.699 . 0 0 "[ . 1 . 2]" 1
341 1 33 VAL QG 1 34 THR H . . 3.150 3.058 2.814 3.187 0.037 5 0 "[ . 1 . 2]" 1
342 1 33 VAL QG 1 40 ILE HB . . 4.600 2.717 2.241 2.993 . 0 0 "[ . 1 . 2]" 1
343 1 34 THR H 1 34 THR HB . . 3.880 3.136 2.852 3.636 . 0 0 "[ . 1 . 2]" 1
344 1 34 THR H 1 34 THR MG . . 3.870 2.544 1.898 3.893 0.023 20 0 "[ . 1 . 2]" 1
345 1 34 THR H 1 35 GLN H . . 4.430 4.344 4.189 4.429 . 0 0 "[ . 1 . 2]" 1
346 1 34 THR HA 1 35 GLN H . . 3.020 2.112 2.064 2.197 . 0 0 "[ . 1 . 2]" 1
347 1 34 THR HB 1 35 GLN H . . 4.150 3.950 3.213 4.203 0.053 5 0 "[ . 1 . 2]" 1
348 1 34 THR MG 1 35 GLN H . . 4.190 3.706 2.537 4.170 . 0 0 "[ . 1 . 2]" 1
349 1 34 THR MG 1 36 GLY H . . 4.900 4.119 2.262 5.035 0.135 10 0 "[ . 1 . 2]" 1
350 1 35 GLN H 1 35 GLN QB . . 3.530 2.592 2.329 2.928 . 0 0 "[ . 1 . 2]" 1
351 1 35 GLN H 1 36 GLY H . . 4.400 3.604 2.929 3.890 . 0 0 "[ . 1 . 2]" 1
352 1 35 GLN H 1 38 ILE H . . 4.030 3.418 2.970 3.761 . 0 0 "[ . 1 . 2]" 1
353 1 35 GLN H 1 38 ILE HB . . 4.090 2.940 1.982 3.546 . 0 0 "[ . 1 . 2]" 1
354 1 35 GLN H 1 38 ILE MD . . 4.970 4.557 3.967 5.138 0.168 18 0 "[ . 1 . 2]" 1
355 1 35 GLN H 1 38 ILE MG . . 4.210 3.540 2.985 4.156 . 0 0 "[ . 1 . 2]" 1
356 1 35 GLN HA 1 38 ILE H . . 5.130 4.884 4.639 5.170 0.040 14 0 "[ . 1 . 2]" 1
357 1 35 GLN HE21 2 6 VAL MG2 . . 4.190 3.129 2.000 4.180 . 0 0 "[ . 1 . 2]" 1
358 1 35 GLN HE22 2 6 VAL MG2 . . 4.100 2.937 1.778 4.155 0.055 5 0 "[ . 1 . 2]" 1
359 1 35 GLN QG 1 36 GLY H . . 3.970 3.788 3.511 4.054 0.084 19 0 "[ . 1 . 2]" 1
360 1 36 GLY H 1 37 THR H . . 4.500 4.267 3.744 4.488 . 0 0 "[ . 1 . 2]" 1
361 1 37 THR H 1 37 THR MG . . 3.830 3.066 1.861 3.883 0.053 13 0 "[ . 1 . 2]" 1
362 1 37 THR H 1 38 ILE H . . 3.720 2.214 1.936 2.506 . 0 0 "[ . 1 . 2]" 1
363 1 37 THR H 1 38 ILE MD . . 4.430 3.080 2.328 4.349 . 0 0 "[ . 1 . 2]" 1
364 1 37 THR HA 1 37 THR MG . . 3.670 2.371 2.167 3.216 . 0 0 "[ . 1 . 2]" 1
365 1 37 THR HB 1 71 MET H . . 3.710 3.051 1.876 3.919 0.209 1 0 "[ . 1 . 2]" 1
366 1 37 THR MG 1 38 ILE MD . . 4.370 3.943 2.050 4.657 0.287 19 0 "[ . 1 . 2]" 1
367 1 37 THR MG 1 71 MET H . . 4.210 2.928 1.771 4.295 0.085 11 0 "[ . 1 . 2]" 1
368 1 37 THR MG 1 71 MET QB . . 4.330 2.781 1.850 4.332 0.002 11 0 "[ . 1 . 2]" 1
369 1 38 ILE H 1 38 ILE HB . . 3.340 2.487 2.329 2.678 . 0 0 "[ . 1 . 2]" 1
370 1 38 ILE H 1 38 ILE MD . . 3.880 2.395 1.797 3.525 . 0 0 "[ . 1 . 2]" 1
371 1 38 ILE H 1 38 ILE MG . . 3.990 3.767 3.679 3.844 . 0 0 "[ . 1 . 2]" 1
372 1 38 ILE H 1 39 LYS H . . 4.780 4.493 4.425 4.562 . 0 0 "[ . 1 . 2]" 1
373 1 38 ILE HA 1 39 LYS H . . 3.080 2.142 2.098 2.205 . 0 0 "[ . 1 . 2]" 1
374 1 38 ILE HB 1 39 LYS H . . 4.460 4.170 3.920 4.330 . 0 0 "[ . 1 . 2]" 1
375 1 38 ILE MD 1 39 LYS H . . 4.970 4.682 3.839 5.062 0.092 2 0 "[ . 1 . 2]" 1
376 1 38 ILE MD 1 71 MET H . . 5.380 4.684 3.902 5.462 0.082 12 0 "[ . 1 . 2]" 1
377 1 38 ILE MG 1 39 LYS H . . 3.430 2.617 2.348 2.881 . 0 0 "[ . 1 . 2]" 1
378 1 38 ILE MG 1 69 TYR H . . 4.370 3.382 2.020 4.382 0.012 20 0 "[ . 1 . 2]" 1
379 1 39 LYS H 1 39 LYS QB . . 3.450 2.584 2.391 3.259 . 0 0 "[ . 1 . 2]" 1
380 1 39 LYS H 1 39 LYS QG . . 4.340 3.636 2.563 4.352 0.012 19 0 "[ . 1 . 2]" 1
381 1 39 LYS H 1 68 PHE HA . . 4.700 4.498 3.464 4.737 0.037 11 0 "[ . 1 . 2]" 1
382 1 39 LYS H 1 69 TYR H . . 3.640 3.023 2.710 3.284 . 0 0 "[ . 1 . 2]" 1
383 1 39 LYS H 1 69 TYR QB . . 3.980 3.304 2.532 4.020 0.040 13 0 "[ . 1 . 2]" 1
384 1 39 LYS H 1 69 TYR QD . . 4.670 4.092 3.413 4.766 0.096 5 0 "[ . 1 . 2]" 1
385 1 39 LYS HA 1 40 ILE H . . 3.140 2.164 2.114 2.292 . 0 0 "[ . 1 . 2]" 1
386 1 39 LYS QB 1 69 TYR H . . 4.810 4.007 3.226 4.775 . 0 0 "[ . 1 . 2]" 1
387 1 39 LYS QE 1 39 LYS QG . . 3.490 2.361 2.117 2.828 . 0 0 "[ . 1 . 2]" 1
388 1 39 LYS QG 1 40 ILE H . . 4.510 3.713 2.839 4.731 0.221 12 0 "[ . 1 . 2]" 1
389 1 40 ILE H 1 40 ILE HB . . 3.590 2.631 2.534 2.805 . 0 0 "[ . 1 . 2]" 1
390 1 40 ILE H 1 40 ILE MD . . 4.860 3.583 1.881 4.056 . 0 0 "[ . 1 . 2]" 1
391 1 40 ILE HA 1 41 ASN H . . 3.020 2.182 2.118 2.312 . 0 0 "[ . 1 . 2]" 1
392 1 40 ILE HA 1 67 THR H . . 4.190 3.911 2.749 4.296 0.106 4 0 "[ . 1 . 2]" 1
393 1 40 ILE HB 1 41 ASN H . . 4.380 4.072 3.736 4.408 0.028 5 0 "[ . 1 . 2]" 1
394 1 40 ILE MD 1 68 PHE QD . . 4.030 2.623 2.084 3.684 . 0 0 "[ . 1 . 2]" 1
395 1 40 ILE MG 1 41 ASN H . . 3.360 2.604 2.152 3.272 . 0 0 "[ . 1 . 2]" 1
396 1 40 ILE MG 1 66 ALA MB . . 3.590 2.439 1.922 3.074 . 0 0 "[ . 1 . 2]" 1
397 1 40 ILE MG 1 67 THR H . . 4.180 3.690 3.110 4.207 0.027 5 0 "[ . 1 . 2]" 1
398 1 41 ASN H 1 41 ASN HB2 . . 3.960 3.047 2.519 3.898 . 0 0 "[ . 1 . 2]" 1
399 1 41 ASN H 1 41 ASN QB . . 3.360 2.507 2.268 3.103 . 0 0 "[ . 1 . 2]" 1
400 1 41 ASN H 1 41 ASN HB3 . . 3.960 2.808 2.348 3.751 . 0 0 "[ . 1 . 2]" 1
401 1 41 ASN H 1 42 ALA H . . 4.360 4.295 4.144 4.413 0.053 3 0 "[ . 1 . 2]" 1
402 1 41 ASN H 1 66 ALA HA . . 4.400 3.386 2.647 4.091 . 0 0 "[ . 1 . 2]" 1
403 1 41 ASN H 1 66 ALA MB . . 3.960 3.813 2.751 4.061 0.101 2 0 "[ . 1 . 2]" 1
404 1 41 ASN H 1 67 THR H . . 3.460 2.677 1.923 3.303 . 0 0 "[ . 1 . 2]" 1
405 1 41 ASN HA 1 42 ALA H . . 2.870 2.135 2.095 2.238 . 0 0 "[ . 1 . 2]" 1
406 1 41 ASN QB 1 42 ALA H . . 3.750 3.641 2.825 3.869 0.119 10 0 "[ . 1 . 2]" 1
407 1 41 ASN HB2 1 42 ALA H . . 4.520 4.138 2.884 4.429 . 0 0 "[ . 1 . 2]" 1
408 1 41 ASN HB2 1 67 THR H . . 5.170 4.374 2.909 5.266 0.096 16 0 "[ . 1 . 2]" 1
409 1 41 ASN HB3 1 42 ALA H . . 4.520 4.144 3.330 4.382 . 0 0 "[ . 1 . 2]" 1
410 1 41 ASN HB3 1 67 THR H . . 5.170 3.574 2.159 5.129 . 0 0 "[ . 1 . 2]" 1
411 1 42 ALA H 1 42 ALA MB . . 3.290 2.638 2.486 2.877 . 0 0 "[ . 1 . 2]" 1
412 1 42 ALA HA 1 43 ASP H . . 3.260 2.539 2.223 2.739 . 0 0 "[ . 1 . 2]" 1
413 1 42 ALA HA 1 44 LYS H . . 4.500 4.510 4.206 4.680 0.180 8 0 "[ . 1 . 2]" 1
414 1 42 ALA MB 1 43 ASP H . . 3.200 2.201 1.913 2.923 . 0 0 "[ . 1 . 2]" 1
415 1 42 ALA MB 1 44 LYS H . . 3.210 3.053 2.702 3.249 0.039 7 0 "[ . 1 . 2]" 1
416 1 42 ALA MB 1 45 VAL MG2 . . 3.270 2.098 1.925 2.360 . 0 0 "[ . 1 . 2]" 1
417 1 42 ALA MB 1 62 TYR H . . 3.780 3.117 2.592 3.652 . 0 0 "[ . 1 . 2]" 1
418 1 43 ASP H 1 43 ASP HB2 . . 3.750 3.045 2.618 3.789 0.039 5 0 "[ . 1 . 2]" 1
419 1 43 ASP H 1 43 ASP QB . . 3.240 2.475 2.277 2.776 . 0 0 "[ . 1 . 2]" 1
420 1 43 ASP H 1 43 ASP HB3 . . 3.750 2.634 2.430 2.854 . 0 0 "[ . 1 . 2]" 1
421 1 43 ASP H 1 44 LYS H . . 3.030 2.158 1.880 2.632 . 0 0 "[ . 1 . 2]" 1
422 1 43 ASP H 1 45 VAL MG2 . . 4.770 3.975 3.295 4.520 . 0 0 "[ . 1 . 2]" 1
423 1 43 ASP H 1 62 TYR H . . 5.500 4.212 3.662 4.877 . 0 0 "[ . 1 . 2]" 1
424 1 43 ASP H 1 64 LYS H . . 4.610 3.269 2.441 4.740 0.130 10 0 "[ . 1 . 2]" 1
425 1 43 ASP QB 1 44 LYS H . . 3.330 2.589 2.236 3.514 0.184 5 0 "[ . 1 . 2]" 1
426 1 43 ASP HB2 1 44 LYS H . . 3.960 3.842 3.676 4.046 0.086 5 0 "[ . 1 . 2]" 1
427 1 43 ASP HB3 1 44 LYS H . . 3.960 2.660 2.256 3.932 . 0 0 "[ . 1 . 2]" 1
428 1 44 LYS H 1 44 LYS HB2 . . 4.030 2.711 2.389 3.095 . 0 0 "[ . 1 . 2]" 1
429 1 44 LYS H 1 44 LYS QB . . 3.450 2.557 2.357 2.746 . 0 0 "[ . 1 . 2]" 1
430 1 44 LYS H 1 44 LYS HB3 . . 4.030 3.457 2.669 3.841 . 0 0 "[ . 1 . 2]" 1
431 1 44 LYS H 1 44 LYS QG . . 4.330 3.274 2.521 4.156 . 0 0 "[ . 1 . 2]" 1
432 1 44 LYS H 1 45 VAL H . . 4.490 4.152 3.997 4.309 . 0 0 "[ . 1 . 2]" 1
433 1 44 LYS H 1 45 VAL MG2 . . 4.050 3.695 3.500 3.877 . 0 0 "[ . 1 . 2]" 1
434 1 44 LYS H 1 62 TYR H . . 3.770 3.310 2.936 3.718 . 0 0 "[ . 1 . 2]" 1
435 1 44 LYS HA 1 45 VAL H . . 3.290 2.137 2.098 2.166 . 0 0 "[ . 1 . 2]" 1
436 1 44 LYS QB 1 62 TYR H . . 4.130 3.347 2.914 3.657 . 0 0 "[ . 1 . 2]" 1
437 1 44 LYS QB 1 62 TYR QD . . 3.890 3.452 2.757 3.937 0.047 20 0 "[ . 1 . 2]" 1
438 1 44 LYS HB2 1 62 TYR H . . 4.990 3.877 3.005 5.100 0.110 20 0 "[ . 1 . 2]" 1
439 1 44 LYS HB3 1 62 TYR H . . 4.990 4.167 3.267 5.028 0.038 14 0 "[ . 1 . 2]" 1
440 1 44 LYS QG 1 45 VAL H . . 4.570 4.000 2.590 4.758 0.188 4 0 "[ . 1 . 2]" 1
441 1 45 VAL H 1 45 VAL HB . . 3.640 2.697 2.626 2.769 . 0 0 "[ . 1 . 2]" 1
442 1 45 VAL H 1 45 VAL MG2 . . 3.530 2.820 2.641 2.964 . 0 0 "[ . 1 . 2]" 1
443 1 45 VAL HA 1 46 VAL H . . 3.180 2.125 2.055 2.194 . 0 0 "[ . 1 . 2]" 1
444 1 45 VAL HA 1 61 GLY H . . 4.640 4.577 4.423 4.747 0.107 4 0 "[ . 1 . 2]" 1
445 1 45 VAL HA 1 62 TYR H . . 3.750 3.405 3.036 3.776 0.026 20 0 "[ . 1 . 2]" 1
446 1 45 VAL MG1 1 46 VAL H . . 3.340 2.690 2.391 2.985 . 0 0 "[ . 1 . 2]" 1
447 1 45 VAL MG1 1 60 ASP H . . 3.840 3.251 2.828 3.614 . 0 0 "[ . 1 . 2]" 1
448 1 45 VAL MG1 1 60 ASP QB . . 4.920 4.464 4.007 4.929 0.009 16 0 "[ . 1 . 2]" 1
449 1 45 VAL MG2 1 61 GLY H . . 4.730 4.222 3.926 4.737 0.007 4 0 "[ . 1 . 2]" 1
450 1 45 VAL MG2 1 62 TYR H . . 4.370 3.456 3.035 4.125 . 0 0 "[ . 1 . 2]" 1
451 1 46 VAL H 1 46 VAL HB . . 3.690 2.687 2.557 2.787 . 0 0 "[ . 1 . 2]" 1
452 1 46 VAL H 1 60 ASP H . . 3.890 3.525 2.988 3.934 0.044 2 0 "[ . 1 . 2]" 1
453 1 46 VAL H 1 60 ASP QB . . 4.930 3.792 2.757 4.956 0.026 16 0 "[ . 1 . 2]" 1
454 1 46 VAL HA 1 47 VAL H . . 3.180 2.163 2.133 2.218 . 0 0 "[ . 1 . 2]" 1
455 1 46 VAL HB 1 60 ASP H . . 5.190 4.502 3.973 5.170 . 0 0 "[ . 1 . 2]" 1
456 1 46 VAL QG 1 47 VAL H . . 3.680 2.823 2.326 3.162 . 0 0 "[ . 1 . 2]" 1
457 1 46 VAL QG 1 48 THR H . . 4.470 3.965 3.494 4.509 0.039 3 0 "[ . 1 . 2]" 1
458 1 47 VAL H 1 47 VAL HB . . 3.850 3.212 2.459 3.832 . 0 0 "[ . 1 . 2]" 1
459 1 47 VAL H 1 47 VAL MG1 . . 4.060 3.205 2.357 3.857 . 0 0 "[ . 1 . 2]" 1
460 1 47 VAL H 1 47 VAL QG . . 3.530 2.251 1.884 2.735 . 0 0 "[ . 1 . 2]" 1
461 1 47 VAL H 1 47 VAL MG2 . . 4.060 2.306 1.950 2.800 . 0 0 "[ . 1 . 2]" 1
462 1 47 VAL HA 1 48 THR H . . 3.280 2.125 2.091 2.192 . 0 0 "[ . 1 . 2]" 1
463 1 47 VAL HA 1 60 ASP H . . 4.270 3.250 2.646 3.904 . 0 0 "[ . 1 . 2]" 1
464 1 47 VAL HB 2 10 TYR QE . . 4.150 3.979 3.536 4.313 0.163 20 0 "[ . 1 . 2]" 1
465 1 47 VAL QG 1 48 THR H . . 3.800 3.243 2.696 3.678 . 0 0 "[ . 1 . 2]" 1
466 1 47 VAL QG 1 60 ASP H . . 4.870 3.264 2.314 3.529 . 0 0 "[ . 1 . 2]" 1
467 1 47 VAL QG 2 10 TYR QE . . 4.220 2.487 2.024 2.892 . 0 0 "[ . 1 . 2]" 1
468 1 47 VAL MG1 1 48 THR H . . 4.430 3.497 2.742 4.060 . 0 0 "[ . 1 . 2]" 1
469 1 47 VAL MG1 2 10 TYR QD . . 4.890 4.196 3.833 4.733 . 0 0 "[ . 1 . 2]" 1
470 1 47 VAL MG2 1 48 THR H . . 4.430 4.025 3.731 4.206 . 0 0 "[ . 1 . 2]" 1
471 1 47 VAL MG2 2 10 TYR QD . . 4.890 3.875 3.517 4.284 . 0 0 "[ . 1 . 2]" 1
472 1 48 THR H 1 48 THR HB . . 3.970 2.694 2.524 3.489 . 0 0 "[ . 1 . 2]" 1
473 1 48 THR H 1 60 ASP H . . 5.500 4.561 3.822 5.387 . 0 0 "[ . 1 . 2]" 1
474 1 48 THR HA 1 49 ARG H . . 3.300 2.162 2.108 2.266 . 0 0 "[ . 1 . 2]" 1
475 1 48 THR MG 1 49 ARG H . . 3.800 3.204 2.850 3.785 . 0 0 "[ . 1 . 2]" 1
476 1 48 THR MG 1 49 ARG QB . . 4.950 4.591 4.240 5.082 0.132 2 0 "[ . 1 . 2]" 1
477 1 49 ARG H 1 49 ARG QB . . 3.790 2.328 2.157 2.606 . 0 0 "[ . 1 . 2]" 1
478 1 49 ARG H 1 49 ARG QG . . 4.440 3.903 3.265 4.058 . 0 0 "[ . 1 . 2]" 1
479 1 49 ARG QB 2 21 MET QG . . 3.920 3.905 3.439 4.201 0.281 19 0 "[ . 1 . 2]" 1
480 1 49 ARG QG 1 56 LYS H . . 5.500 4.724 3.202 5.684 0.184 2 0 "[ . 1 . 2]" 1
481 1 49 ARG QG 1 57 GLU H . . 4.640 4.275 2.586 4.957 0.317 1 0 "[ . 1 . 2]" 1
482 1 52 GLY H 1 53 GLU H . . 4.040 2.811 1.994 3.445 . 0 0 "[ . 1 . 2]" 1
483 1 52 GLY H 1 53 GLU HA . . 5.230 4.989 4.191 5.466 0.236 17 0 "[ . 1 . 2]" 1
484 1 52 GLY H 1 53 GLU QB . . 5.470 4.727 3.855 5.585 0.115 12 0 "[ . 1 . 2]" 1
485 1 53 GLU H 1 53 GLU QB . . 3.060 2.455 2.326 2.695 . 0 0 "[ . 1 . 2]" 1
486 1 53 GLU H 1 53 GLU HG2 . . 3.860 3.097 2.229 3.924 0.064 2 0 "[ . 1 . 2]" 1
487 1 53 GLU H 1 53 GLU HG3 . . 3.860 3.274 2.240 3.934 0.074 14 0 "[ . 1 . 2]" 1
488 1 53 GLU HA 1 54 GLN H . . 3.240 2.179 2.105 2.367 . 0 0 "[ . 1 . 2]" 1
489 1 53 GLU QB 1 54 GLN H . . 4.340 3.179 2.433 3.720 . 0 0 "[ . 1 . 2]" 1
490 1 54 GLN H 1 54 GLN QB . . 3.470 2.699 2.258 3.105 . 0 0 "[ . 1 . 2]" 1
491 1 54 GLN H 1 54 GLN HG2 . . 4.210 2.940 1.975 4.309 0.099 11 0 "[ . 1 . 2]" 1
492 1 54 GLN H 1 54 GLN QG . . 3.650 2.335 1.792 3.267 . 0 0 "[ . 1 . 2]" 1
493 1 54 GLN H 1 54 GLN HG3 . . 4.210 2.907 1.799 4.193 . 0 0 "[ . 1 . 2]" 1
494 1 54 GLN HA 1 55 GLY H . . 3.150 2.196 2.084 2.360 . 0 0 "[ . 1 . 2]" 1
495 1 54 GLN HA 1 56 LYS H . . 3.910 3.363 3.043 3.707 . 0 0 "[ . 1 . 2]" 1
496 1 54 GLN QB 1 55 GLY H . . 3.740 3.089 2.532 3.594 . 0 0 "[ . 1 . 2]" 1
497 1 55 GLY H 1 56 LYS H . . 3.570 2.211 1.804 2.611 . 0 0 "[ . 1 . 2]" 1
498 1 55 GLY H 1 57 GLU H . . 4.300 3.322 2.861 4.395 0.095 1 0 "[ . 1 . 2]" 1
499 1 55 GLY H 2 8 ILE HB . . 4.330 3.863 3.100 4.441 0.111 10 0 "[ . 1 . 2]" 1
500 1 55 GLY QA 2 6 VAL H . . 3.750 3.462 2.725 3.848 0.098 15 0 "[ . 1 . 2]" 1
501 1 55 GLY HA2 2 6 VAL H . . 4.300 4.104 3.437 4.440 0.140 9 0 "[ . 1 . 2]" 1
502 1 55 GLY HA3 2 6 VAL H . . 4.300 3.763 2.819 4.326 0.026 4 0 "[ . 1 . 2]" 1
503 1 56 LYS H 1 56 LYS HB2 . . 3.820 2.813 2.411 3.436 . 0 0 "[ . 1 . 2]" 1
504 1 56 LYS H 1 56 LYS QB . . 3.300 2.591 2.378 2.761 . 0 0 "[ . 1 . 2]" 1
505 1 56 LYS H 1 56 LYS HB3 . . 3.820 3.396 2.675 3.839 0.019 9 0 "[ . 1 . 2]" 1
506 1 56 LYS H 1 56 LYS HG2 . . 4.850 4.081 2.936 4.940 0.090 6 0 "[ . 1 . 2]" 1
507 1 56 LYS H 1 56 LYS QG . . 4.170 3.608 2.883 4.204 0.034 17 0 "[ . 1 . 2]" 1
508 1 56 LYS H 1 56 LYS HG3 . . 4.850 4.300 3.158 4.888 0.038 1 0 "[ . 1 . 2]" 1
509 1 56 LYS H 1 57 GLU H . . 3.390 1.970 1.694 3.257 . 0 0 "[ . 1 . 2]" 1
510 1 56 LYS H 1 57 GLU QB . . 4.400 4.015 3.232 4.503 0.103 1 0 "[ . 1 . 2]" 1
511 1 56 LYS H 2 8 ILE HB . . 5.190 5.234 4.953 5.397 0.207 2 0 "[ . 1 . 2]" 1
512 1 56 LYS HA 1 89 LEU H . . 5.210 4.179 2.738 5.360 0.150 12 0 "[ . 1 . 2]" 1
513 1 56 LYS HA 1 90 ALA H . . 5.410 4.458 3.031 5.475 0.065 6 0 "[ . 1 . 2]" 1
514 1 57 GLU H 1 57 GLU QB . . 3.550 2.645 2.234 2.990 . 0 0 "[ . 1 . 2]" 1
515 1 57 GLU H 1 57 GLU QG . . 4.380 2.658 1.747 4.003 . 0 0 "[ . 1 . 2]" 1
516 1 57 GLU H 2 8 ILE HB . . 5.040 4.868 3.938 5.280 0.240 12 0 "[ . 1 . 2]" 1
517 1 57 GLU H 2 8 ILE MD . . 4.080 2.778 2.218 3.658 . 0 0 "[ . 1 . 2]" 1
518 1 57 GLU QB 1 58 VAL H . . 4.240 3.104 1.999 3.969 . 0 0 "[ . 1 . 2]" 1
519 1 57 GLU QB 2 8 ILE MD . . 3.900 3.035 1.781 4.026 0.126 4 0 "[ . 1 . 2]" 1
520 1 57 GLU QG 2 8 ILE MD . . 3.590 2.419 1.793 3.406 . 0 0 "[ . 1 . 2]" 1
521 1 57 GLU QG 2 8 ILE MG . . 4.220 3.121 2.439 3.728 . 0 0 "[ . 1 . 2]" 1
522 1 58 VAL H 1 58 VAL HB . . 3.710 3.059 2.428 3.720 0.010 4 0 "[ . 1 . 2]" 1
523 1 58 VAL H 1 58 VAL MG1 . . 4.210 2.884 1.848 3.788 . 0 0 "[ . 1 . 2]" 1
524 1 58 VAL H 1 58 VAL QG . . 3.480 2.022 1.817 2.881 . 0 0 "[ . 1 . 2]" 1
525 1 58 VAL H 1 58 VAL MG2 . . 4.210 2.568 1.855 4.065 . 0 0 "[ . 1 . 2]" 1
526 1 58 VAL HA 1 59 ILE H . . 3.200 2.138 2.096 2.187 . 0 0 "[ . 1 . 2]" 1
527 1 58 VAL QG 1 59 ILE H . . 3.800 3.092 2.446 3.652 . 0 0 "[ . 1 . 2]" 1
528 1 58 VAL QG 1 88 GLU QB . . 3.580 2.937 1.823 3.729 0.149 15 0 "[ . 1 . 2]" 1
529 1 58 VAL MG1 1 59 ILE H . . 4.560 3.621 2.755 4.244 . 0 0 "[ . 1 . 2]" 1
530 1 58 VAL MG2 1 59 ILE H . . 4.560 3.755 2.471 4.267 . 0 0 "[ . 1 . 2]" 1
531 1 59 ILE H 1 59 ILE HB . . 3.520 2.554 2.491 2.614 . 0 0 "[ . 1 . 2]" 1
532 1 59 ILE H 1 59 ILE MD . . 4.550 3.740 3.513 4.072 . 0 0 "[ . 1 . 2]" 1
533 1 59 ILE H 1 59 ILE QG . . 3.730 2.360 2.102 2.677 . 0 0 "[ . 1 . 2]" 1
534 1 59 ILE H 1 59 ILE MG . . 4.300 3.802 3.755 3.848 . 0 0 "[ . 1 . 2]" 1
535 1 59 ILE H 1 60 ASP H . . 4.420 4.198 3.935 4.440 0.020 19 0 "[ . 1 . 2]" 1
536 1 59 ILE H 1 87 TYR H . . 4.030 3.536 2.925 4.039 0.009 14 0 "[ . 1 . 2]" 1
537 1 59 ILE H 1 87 TYR QB . . 5.160 3.979 3.001 4.935 . 0 0 "[ . 1 . 2]" 1
538 1 59 ILE HA 1 60 ASP H . . 3.110 2.174 2.112 2.245 . 0 0 "[ . 1 . 2]" 1
539 1 59 ILE HA 1 87 TYR H . . 5.500 4.817 4.543 5.070 . 0 0 "[ . 1 . 2]" 1
540 1 59 ILE HB 1 87 TYR H . . 4.040 3.017 2.329 3.582 . 0 0 "[ . 1 . 2]" 1
541 1 59 ILE HB 1 87 TYR QD . . 4.320 3.576 2.875 4.008 . 0 0 "[ . 1 . 2]" 1
542 1 59 ILE MD 1 87 TYR H . . 5.340 4.766 4.181 5.269 . 0 0 "[ . 1 . 2]" 1
543 1 59 ILE MD 1 87 TYR QD . . 3.430 2.523 1.986 3.275 . 0 0 "[ . 1 . 2]" 1
544 1 59 ILE MD 1 87 TYR QE . . 4.550 3.943 2.994 4.563 0.013 19 0 "[ . 1 . 2]" 1
545 1 59 ILE MD 1 89 LEU H . . 5.500 5.434 4.765 5.649 0.149 19 0 "[ . 1 . 2]" 1
546 1 59 ILE MD 1 89 LEU QD . . 4.510 3.719 2.541 4.732 0.222 10 0 "[ . 1 . 2]" 1
547 1 59 ILE MG 1 60 ASP H . . 3.420 3.218 2.874 3.485 0.065 6 0 "[ . 1 . 2]" 1
548 1 59 ILE MG 1 87 TYR H . . 4.620 3.785 3.321 4.368 . 0 0 "[ . 1 . 2]" 1
549 1 60 ASP H 1 60 ASP HB2 . . 4.070 3.209 2.323 3.912 . 0 0 "[ . 1 . 2]" 1
550 1 60 ASP H 1 60 ASP QB . . 3.460 2.615 2.295 3.186 . 0 0 "[ . 1 . 2]" 1
551 1 60 ASP H 1 60 ASP HB3 . . 4.070 2.885 2.396 3.695 . 0 0 "[ . 1 . 2]" 1
552 1 60 ASP HA 1 61 GLY H . . 3.110 2.143 2.028 2.285 . 0 0 "[ . 1 . 2]" 1
553 1 60 ASP HA 1 85 MET H . . 4.860 4.621 4.054 4.919 0.059 14 0 "[ . 1 . 2]" 1
554 1 60 ASP QB 1 61 GLY H . . 4.010 3.528 2.644 3.959 . 0 0 "[ . 1 . 2]" 1
555 1 61 GLY H 1 62 TYR H . . 4.420 4.387 4.209 4.462 0.042 14 0 "[ . 1 . 2]" 1
556 1 61 GLY H 1 85 MET H . . 3.480 3.074 2.699 3.419 . 0 0 "[ . 1 . 2]" 1
557 1 61 GLY H 1 85 MET QB . . 4.920 3.847 2.830 4.939 0.019 18 0 "[ . 1 . 2]" 1
558 1 61 GLY QA 1 62 TYR H . . 3.000 2.138 2.080 2.235 . 0 0 "[ . 1 . 2]" 1
559 1 61 GLY QA 1 62 TYR QD . . 4.080 3.271 2.927 4.109 0.029 4 0 "[ . 1 . 2]" 1
560 1 61 GLY QA 1 85 MET H . . 5.290 3.917 3.544 4.524 . 0 0 "[ . 1 . 2]" 1
561 1 61 GLY HA2 1 62 TYR H . . 3.440 2.203 2.109 2.515 . 0 0 "[ . 1 . 2]" 1
562 1 61 GLY HA3 1 62 TYR H . . 3.440 2.996 2.501 3.268 . 0 0 "[ . 1 . 2]" 1
563 1 62 TYR H 1 62 TYR HB2 . . 4.100 3.817 2.875 4.007 . 0 0 "[ . 1 . 2]" 1
564 1 62 TYR H 1 62 TYR QB . . 3.480 3.165 2.799 3.313 . 0 0 "[ . 1 . 2]" 1
565 1 62 TYR H 1 62 TYR HB3 . . 4.100 3.448 3.215 3.911 . 0 0 "[ . 1 . 2]" 1
566 1 62 TYR H 1 62 TYR QD . . 3.560 2.910 2.506 3.389 . 0 0 "[ . 1 . 2]" 1
567 1 62 TYR H 1 63 GLY H . . 4.510 4.349 4.303 4.396 . 0 0 "[ . 1 . 2]" 1
568 1 62 TYR HA 1 62 TYR QD . . 3.930 3.658 2.832 3.766 . 0 0 "[ . 1 . 2]" 1
569 1 62 TYR HA 1 63 GLY H . . 2.930 2.584 2.304 2.742 . 0 0 "[ . 1 . 2]" 1
570 1 62 TYR QB 1 63 GLY H . . 3.630 2.085 1.846 2.568 . 0 0 "[ . 1 . 2]" 1
571 1 62 TYR QB 1 85 MET H . . 5.340 4.027 3.462 5.179 . 0 0 "[ . 1 . 2]" 1
572 1 62 TYR HB2 1 63 GLY H . . 4.330 2.193 1.855 3.430 . 0 0 "[ . 1 . 2]" 1
573 1 62 TYR HB3 1 63 GLY H . . 4.330 3.423 2.220 3.896 . 0 0 "[ . 1 . 2]" 1
574 1 62 TYR QD 1 63 GLY H . . 4.640 3.042 2.531 4.130 . 0 0 "[ . 1 . 2]" 1
575 1 63 GLY H 1 83 SER HA . . 4.680 4.586 4.105 4.792 0.112 11 0 "[ . 1 . 2]" 1
576 1 63 GLY H 1 83 SER QB . . 4.570 4.235 3.381 4.641 0.071 16 0 "[ . 1 . 2]" 1
577 1 63 GLY H 1 84 GLN HA . . 4.460 4.380 4.168 4.604 0.144 4 0 "[ . 1 . 2]" 1
578 1 63 GLY H 1 84 GLN QB . . 5.340 4.877 3.930 5.518 0.178 14 0 "[ . 1 . 2]" 1
579 1 64 LYS H 1 64 LYS QB . . 3.740 2.644 2.318 3.376 . 0 0 "[ . 1 . 2]" 1
580 1 64 LYS H 1 64 LYS QD . . 4.660 4.087 2.638 4.777 0.117 13 0 "[ . 1 . 2]" 1
581 1 64 LYS H 1 64 LYS QG . . 3.960 2.809 2.281 3.754 . 0 0 "[ . 1 . 2]" 1
582 1 64 LYS HA 1 65 PRO HA . . 4.460 4.425 4.389 4.467 0.007 18 0 "[ . 1 . 2]" 1
583 1 64 LYS QB 1 64 LYS QE . . 3.420 2.781 1.847 3.591 0.171 4 0 "[ . 1 . 2]" 1
584 1 65 PRO HA 1 66 ALA H . . 3.140 2.171 2.131 2.256 . 0 0 "[ . 1 . 2]" 1
585 1 65 PRO HA 1 82 ALA H . . 4.340 3.745 3.400 4.312 . 0 0 "[ . 1 . 2]" 1
586 1 65 PRO HA 1 83 SER HA . . 3.670 2.977 2.242 3.708 0.038 16 0 "[ . 1 . 2]" 1
587 1 65 PRO QB 1 66 ALA H . . 3.970 3.642 3.508 3.788 . 0 0 "[ . 1 . 2]" 1
588 1 65 PRO QB 1 82 ALA H . . 4.430 3.991 3.297 4.492 0.062 7 0 "[ . 1 . 2]" 1
589 1 66 ALA H 1 66 ALA MB . . 3.000 2.242 2.224 2.269 . 0 0 "[ . 1 . 2]" 1
590 1 66 ALA H 1 67 THR H . . 4.800 4.346 4.126 4.554 . 0 0 "[ . 1 . 2]" 1
591 1 66 ALA H 1 82 ALA MB . . 4.940 4.167 3.823 4.748 . 0 0 "[ . 1 . 2]" 1
592 1 66 ALA H 1 83 SER HA . . 3.660 3.399 2.872 3.719 0.059 17 0 "[ . 1 . 2]" 1
593 1 66 ALA HA 1 67 THR H . . 2.910 2.137 2.096 2.314 . 0 0 "[ . 1 . 2]" 1
594 1 66 ALA HA 1 82 ALA H . . 5.450 4.690 4.365 5.077 . 0 0 "[ . 1 . 2]" 1
595 1 66 ALA MB 1 67 THR H . . 3.380 3.282 2.626 3.488 0.108 11 0 "[ . 1 . 2]" 1
596 1 66 ALA MB 1 82 ALA H . . 3.820 3.239 2.805 3.835 0.015 11 0 "[ . 1 . 2]" 1
597 1 66 ALA MB 1 83 SER H . . 5.320 5.003 4.417 5.420 0.100 5 0 "[ . 1 . 2]" 1
598 1 66 ALA MB 1 84 GLN H . . 5.070 4.652 4.084 5.062 . 0 0 "[ . 1 . 2]" 1
599 1 66 ALA MB 1 85 MET H . . 5.010 3.761 3.215 4.476 . 0 0 "[ . 1 . 2]" 1
600 1 67 THR H 1 67 THR MG . . 3.450 2.793 1.909 3.762 0.312 7 0 "[ . 1 . 2]" 1
601 1 67 THR HA 1 68 PHE H . . 3.150 2.115 2.059 2.179 . 0 0 "[ . 1 . 2]" 1
602 1 67 THR HB 1 68 PHE H . . 3.480 3.439 2.832 3.772 0.292 1 0 "[ . 1 . 2]" 1
603 1 67 THR MG 1 68 PHE H . . 3.910 3.645 2.346 3.952 0.042 19 0 "[ . 1 . 2]" 1
604 1 67 THR MG 1 80 GLY H . . 5.240 4.781 3.576 5.324 0.084 13 0 "[ . 1 . 2]" 1
605 1 68 PHE H 1 68 PHE HB2 . . 3.710 2.800 2.520 3.156 . 0 0 "[ . 1 . 2]" 1
606 1 68 PHE H 1 68 PHE QB . . 3.250 2.380 2.260 2.574 . 0 0 "[ . 1 . 2]" 1
607 1 68 PHE H 1 68 PHE HB3 . . 3.710 2.592 2.422 2.825 . 0 0 "[ . 1 . 2]" 1
608 1 68 PHE H 1 68 PHE QD . . 4.380 4.248 4.165 4.346 . 0 0 "[ . 1 . 2]" 1
609 1 68 PHE H 1 69 TYR H . . 4.640 4.069 3.655 4.315 . 0 0 "[ . 1 . 2]" 1
610 1 68 PHE H 1 80 GLY H . . 3.520 2.932 2.575 3.356 . 0 0 "[ . 1 . 2]" 1
611 1 68 PHE H 1 81 HIS H . . 5.020 4.446 4.028 4.740 . 0 0 "[ . 1 . 2]" 1
612 1 68 PHE H 1 81 HIS QB . . 4.990 4.195 3.760 4.898 . 0 0 "[ . 1 . 2]" 1
613 1 68 PHE H 1 96 LEU QD . . 5.440 4.736 3.059 5.449 0.009 10 0 "[ . 1 . 2]" 1
614 1 68 PHE HA 1 69 TYR H . . 2.960 2.176 2.124 2.239 . 0 0 "[ . 1 . 2]" 1
615 1 68 PHE QB 1 69 TYR H . . 4.390 3.951 3.847 4.008 . 0 0 "[ . 1 . 2]" 1
616 1 68 PHE QB 1 80 GLY H . . 3.250 2.863 2.259 3.248 . 0 0 "[ . 1 . 2]" 1
617 1 68 PHE QD 1 69 TYR H . . 4.000 3.989 3.171 4.146 0.146 3 0 "[ . 1 . 2]" 1
618 1 68 PHE QD 1 70 GLN H . . 5.210 4.496 3.290 5.292 0.082 13 0 "[ . 1 . 2]" 1
619 1 68 PHE QD 1 78 VAL HB . . 4.280 3.978 3.443 4.546 0.266 16 0 "[ . 1 . 2]" 1
620 1 68 PHE QD 1 78 VAL QG . . 4.050 2.403 1.947 3.214 . 0 0 "[ . 1 . 2]" 1
621 1 68 PHE QD 1 80 GLY H . . 4.570 3.801 3.139 4.557 . 0 0 "[ . 1 . 2]" 1
622 1 68 PHE QD 1 102 LEU MD1 . . 5.020 3.352 2.247 5.038 0.018 5 0 "[ . 1 . 2]" 1
623 1 68 PHE QD 1 102 LEU QD . . 3.880 2.578 1.997 3.487 . 0 0 "[ . 1 . 2]" 1
624 1 68 PHE QD 1 102 LEU MD2 . . 5.020 3.317 2.020 4.747 . 0 0 "[ . 1 . 2]" 1
625 1 69 TYR H 1 69 TYR QB . . 3.450 2.460 2.349 2.624 . 0 0 "[ . 1 . 2]" 1
626 1 69 TYR H 1 69 TYR QD . . 4.340 4.281 4.071 4.355 0.015 13 0 "[ . 1 . 2]" 1
627 1 69 TYR H 1 80 GLY H . . 5.500 4.845 4.531 5.536 0.036 19 0 "[ . 1 . 2]" 1
628 1 69 TYR HA 1 70 GLN H . . 3.060 2.134 2.084 2.214 . 0 0 "[ . 1 . 2]" 1
629 1 69 TYR HA 1 80 GLY H . . 4.500 3.768 3.197 4.396 . 0 0 "[ . 1 . 2]" 1
630 1 69 TYR QB 1 70 GLN H . . 4.420 3.708 3.500 3.962 . 0 0 "[ . 1 . 2]" 1
631 1 69 TYR QD 1 70 GLN H . . 4.190 3.449 2.853 4.205 0.015 12 0 "[ . 1 . 2]" 1
632 1 69 TYR QD 1 70 GLN HA . . 4.300 4.027 3.535 4.385 0.085 13 0 "[ . 1 . 2]" 1
633 1 69 TYR QE 1 70 GLN H . . 5.490 4.499 4.030 5.444 . 0 0 "[ . 1 . 2]" 1
634 1 70 GLN H 1 70 GLN QB . . 3.850 2.613 2.326 3.300 . 0 0 "[ . 1 . 2]" 1
635 1 70 GLN H 1 71 MET QB . . 5.340 5.211 4.527 5.609 0.269 4 0 "[ . 1 . 2]" 1
636 1 70 GLN H 1 78 VAL H . . 3.640 3.203 2.686 3.730 0.090 5 0 "[ . 1 . 2]" 1
637 1 70 GLN H 1 78 VAL MG1 . . 4.790 3.816 2.335 4.985 0.195 13 0 "[ . 1 . 2]" 1
638 1 70 GLN H 1 78 VAL QG . . 4.200 3.195 1.777 3.962 . 0 0 "[ . 1 . 2]" 1
639 1 70 GLN H 1 78 VAL MG2 . . 4.790 3.971 1.779 4.950 0.160 4 0 "[ . 1 . 2]" 1
640 1 70 GLN QB 1 78 VAL H . . 3.870 3.132 2.488 4.156 0.286 9 0 "[ . 1 . 2]" 1
641 1 70 GLN QB 1 78 VAL QG . . 3.970 2.482 1.744 3.944 . 0 0 "[ . 1 . 2]" 1
642 1 71 MET H 1 71 MET HB2 . . 3.650 2.792 2.411 3.637 . 0 0 "[ . 1 . 2]" 1
643 1 71 MET H 1 71 MET HB3 . . 3.650 2.604 2.339 2.938 . 0 0 "[ . 1 . 2]" 1
644 1 72 GLN H 1 72 GLN QB . . 3.640 2.529 2.122 3.359 . 0 0 "[ . 1 . 2]" 1
645 1 75 GLY H 1 76 LYS H . . 3.370 2.600 2.239 3.816 0.446 17 0 "[ . 1 . 2]" 1
646 1 76 LYS H 1 76 LYS QB . . 3.350 2.580 2.222 3.171 . 0 0 "[ . 1 . 2]" 1
647 1 76 LYS H 1 76 LYS QG . . 4.350 3.173 2.015 4.155 . 0 0 "[ . 1 . 2]" 1
648 1 76 LYS H 1 105 VAL QG . . 5.500 4.480 2.399 5.553 0.053 6 0 "[ . 1 . 2]" 1
649 1 76 LYS HA 1 77 PRO QD . . 3.830 1.988 1.852 2.131 . 0 0 "[ . 1 . 2]" 1
650 1 76 LYS QG 1 105 VAL QG . . 4.250 2.942 1.900 4.276 0.026 14 0 "[ . 1 . 2]" 1
651 1 77 PRO HA 1 78 VAL H . . 3.210 2.343 2.099 3.522 0.312 13 0 "[ . 1 . 2]" 1
652 1 77 PRO QB 1 78 VAL H . . 3.570 3.036 2.256 3.459 . 0 0 "[ . 1 . 2]" 1
653 1 77 PRO HB2 1 78 VAL H . . 4.070 3.207 2.286 3.693 . 0 0 "[ . 1 . 2]" 1
654 1 77 PRO HB3 1 78 VAL H . . 4.070 3.838 3.055 4.172 0.102 10 0 "[ . 1 . 2]" 1
655 1 77 PRO QG 1 78 VAL H . . 4.410 4.309 2.129 4.621 0.211 14 0 "[ . 1 . 2]" 1
656 1 78 VAL H 1 78 VAL HB . . 4.110 2.959 2.442 3.923 . 0 0 "[ . 1 . 2]" 1
657 1 78 VAL H 1 78 VAL MG1 . . 4.050 3.240 2.003 3.894 . 0 0 "[ . 1 . 2]" 1
658 1 78 VAL H 1 78 VAL QG . . 3.490 2.361 1.930 2.810 . 0 0 "[ . 1 . 2]" 1
659 1 78 VAL H 1 78 VAL MG2 . . 4.050 2.750 2.104 4.012 . 0 0 "[ . 1 . 2]" 1
660 1 78 VAL H 1 79 GLU H . . 4.550 4.403 4.090 4.560 0.010 8 0 "[ . 1 . 2]" 1
661 1 78 VAL HA 1 79 GLU H . . 2.490 2.165 2.087 2.223 . 0 0 "[ . 1 . 2]" 1
662 1 78 VAL HB 1 79 GLU H . . 4.750 3.866 2.843 4.308 . 0 0 "[ . 1 . 2]" 1
663 1 78 VAL QG 1 79 GLU H . . 3.460 2.703 2.359 3.404 . 0 0 "[ . 1 . 2]" 1
664 1 78 VAL QG 1 80 GLY H . . 4.210 3.754 2.961 4.382 0.172 4 0 "[ . 1 . 2]" 1
665 1 78 VAL QG 1 102 LEU QD . . 4.310 2.391 1.784 3.223 . 0 0 "[ . 1 . 2]" 1
666 1 78 VAL MG1 1 79 GLU H . . 3.960 3.130 2.393 4.020 0.060 17 0 "[ . 1 . 2]" 1
667 1 78 VAL MG2 1 79 GLU H . . 3.960 3.619 2.379 4.084 0.124 15 0 "[ . 1 . 2]" 1
668 1 79 GLU H 1 79 GLU HB2 . . 4.030 3.134 2.419 3.944 . 0 0 "[ . 1 . 2]" 1
669 1 79 GLU H 1 79 GLU QB . . 3.360 2.692 2.386 3.217 . 0 0 "[ . 1 . 2]" 1
670 1 79 GLU H 1 79 GLU HB3 . . 4.030 3.211 2.619 3.881 . 0 0 "[ . 1 . 2]" 1
671 1 79 GLU H 1 80 GLY H . . 4.550 4.079 3.717 4.373 . 0 0 "[ . 1 . 2]" 1
672 1 79 GLU H 1 102 LEU QD . . 4.460 3.898 2.520 4.571 0.111 10 0 "[ . 1 . 2]" 1
673 1 79 GLU H 1 103 GLN H . . 4.030 3.438 2.885 3.935 . 0 0 "[ . 1 . 2]" 1
674 1 79 GLU H 1 103 GLN QB . . 5.040 3.099 1.767 4.903 . 0 0 "[ . 1 . 2]" 1
675 1 79 GLU HA 1 80 GLY H . . 2.910 2.157 2.099 2.276 . 0 0 "[ . 1 . 2]" 1
676 1 79 GLU QB 1 80 GLY H . . 4.180 3.540 2.547 3.975 . 0 0 "[ . 1 . 2]" 1
677 1 80 GLY H 1 102 LEU HA . . 5.220 4.622 4.300 4.941 . 0 0 "[ . 1 . 2]" 1
678 1 80 GLY H 1 102 LEU QD . . 4.030 3.496 2.771 4.045 0.015 19 0 "[ . 1 . 2]" 1
679 1 80 GLY QA 1 81 HIS H . . 2.850 2.208 2.121 2.290 . 0 0 "[ . 1 . 2]" 1
680 1 80 GLY QA 1 101 TYR QD . . 4.100 3.631 2.258 4.222 0.122 15 0 "[ . 1 . 2]" 1
681 1 80 GLY QA 1 102 LEU H . . 5.240 4.420 4.196 4.720 . 0 0 "[ . 1 . 2]" 1
682 1 80 GLY HA2 1 81 HIS H . . 3.290 2.330 2.152 2.604 . 0 0 "[ . 1 . 2]" 1
683 1 80 GLY HA3 1 81 HIS H . . 3.290 2.836 2.478 3.321 0.031 16 0 "[ . 1 . 2]" 1
684 1 81 HIS H 1 82 ALA H . . 4.400 4.286 4.186 4.483 0.083 16 0 "[ . 1 . 2]" 1
685 1 81 HIS H 1 82 ALA MB . . 4.250 4.132 3.940 4.429 0.179 16 0 "[ . 1 . 2]" 1
686 1 81 HIS H 1 96 LEU QD . . 4.390 3.627 2.770 4.408 0.018 6 0 "[ . 1 . 2]" 1
687 1 81 HIS H 1 101 TYR H . . 3.400 2.815 2.414 3.278 . 0 0 "[ . 1 . 2]" 1
688 1 81 HIS H 1 101 TYR QB . . 4.140 3.469 2.870 4.023 . 0 0 "[ . 1 . 2]" 1
689 1 81 HIS H 1 101 TYR QD . . 5.150 4.432 3.631 5.132 . 0 0 "[ . 1 . 2]" 1
690 1 81 HIS H 1 102 LEU HA . . 4.930 3.967 3.233 5.031 0.101 16 0 "[ . 1 . 2]" 1
691 1 81 HIS H 1 102 LEU QD . . 4.540 4.030 3.607 4.603 0.063 16 0 "[ . 1 . 2]" 1
692 1 81 HIS HA 1 82 ALA H . . 3.240 2.218 2.154 2.313 . 0 0 "[ . 1 . 2]" 1
693 1 81 HIS QB 1 82 ALA H . . 3.460 2.852 2.573 3.076 . 0 0 "[ . 1 . 2]" 1
694 1 81 HIS HB2 1 82 ALA H . . 4.330 2.920 2.613 3.178 . 0 0 "[ . 1 . 2]" 1
695 1 81 HIS HB3 1 82 ALA H . . 4.330 4.015 3.854 4.192 . 0 0 "[ . 1 . 2]" 1
696 1 81 HIS HE1 1 101 TYR HB2 . . 3.930 3.612 2.955 3.983 0.053 16 0 "[ . 1 . 2]" 1
697 1 81 HIS HE1 1 101 TYR HB3 . . 3.930 3.073 2.403 3.968 0.038 3 0 "[ . 1 . 2]" 1
698 1 82 ALA H 1 82 ALA MB . . 3.530 2.778 2.631 2.890 . 0 0 "[ . 1 . 2]" 1
699 1 82 ALA H 1 83 SER HA . . 5.500 4.655 4.490 4.843 . 0 0 "[ . 1 . 2]" 1
700 1 82 ALA HA 1 83 SER H . . 2.920 2.539 2.248 2.785 . 0 0 "[ . 1 . 2]" 1
701 1 82 ALA MB 1 83 SER H . . 3.100 2.214 1.865 2.810 . 0 0 "[ . 1 . 2]" 1
702 1 82 ALA MB 1 84 GLN H . . 3.350 2.766 2.423 3.380 0.030 16 0 "[ . 1 . 2]" 1
703 1 82 ALA MB 1 96 LEU QD . . 3.670 2.083 1.813 2.571 . 0 0 "[ . 1 . 2]" 1
704 1 82 ALA MB 1 97 THR H . . 3.880 2.716 2.144 3.329 . 0 0 "[ . 1 . 2]" 1
705 1 82 ALA MB 1 100 ALA H . . 4.080 4.089 3.590 4.252 0.172 8 0 "[ . 1 . 2]" 1
706 1 82 ALA MB 1 100 ALA HA . . 3.830 2.718 2.092 3.803 . 0 0 "[ . 1 . 2]" 1
707 1 82 ALA MB 1 100 ALA MB . . 3.320 2.252 1.794 3.017 . 0 0 "[ . 1 . 2]" 1
708 1 82 ALA MB 1 101 TYR H . . 3.900 3.558 2.781 3.948 0.048 19 0 "[ . 1 . 2]" 1
709 1 83 SER H 1 83 SER QB . . 3.030 2.574 2.300 3.015 . 0 0 "[ . 1 . 2]" 1
710 1 83 SER H 1 84 GLN H . . 3.230 2.321 2.097 2.638 . 0 0 "[ . 1 . 2]" 1
711 1 83 SER H 1 97 THR MG . . 4.920 4.555 3.027 5.147 0.227 17 0 "[ . 1 . 2]" 1
712 1 83 SER QB 1 84 GLN H . . 3.440 2.810 2.097 3.499 0.059 15 0 "[ . 1 . 2]" 1
713 1 84 GLN H 1 84 GLN HB2 . . 3.790 3.182 2.641 3.897 0.107 19 0 "[ . 1 . 2]" 1
714 1 84 GLN H 1 84 GLN QB . . 3.160 2.715 2.475 3.162 0.002 17 0 "[ . 1 . 2]" 1
715 1 84 GLN H 1 84 GLN HB3 . . 3.790 3.214 2.568 3.835 0.045 12 0 "[ . 1 . 2]" 1
716 1 84 GLN H 1 85 MET H . . 4.560 4.277 4.039 4.528 . 0 0 "[ . 1 . 2]" 1
717 1 84 GLN H 1 97 THR H . . 3.480 3.043 2.628 3.589 0.109 12 0 "[ . 1 . 2]" 1
718 1 84 GLN H 1 97 THR HA . . 5.440 4.986 4.729 5.339 . 0 0 "[ . 1 . 2]" 1
719 1 84 GLN H 1 97 THR HB . . 4.470 3.984 3.259 4.647 0.177 8 0 "[ . 1 . 2]" 1
720 1 84 GLN H 1 97 THR MG . . 4.410 3.782 2.074 4.571 0.161 7 0 "[ . 1 . 2]" 1
721 1 84 GLN HA 1 85 MET H . . 2.920 2.180 2.107 2.285 . 0 0 "[ . 1 . 2]" 1
722 1 84 GLN QB 1 85 MET H . . 3.750 3.296 2.620 3.817 0.067 9 0 "[ . 1 . 2]" 1
723 1 84 GLN QB 1 97 THR H . . 3.990 3.620 2.397 4.347 0.357 17 0 "[ . 1 . 2]" 1
724 1 84 GLN HB2 1 85 MET H . . 4.340 3.865 2.750 4.384 0.044 9 0 "[ . 1 . 2]" 1
725 1 84 GLN HB3 1 85 MET H . . 4.340 3.801 2.673 4.276 . 0 0 "[ . 1 . 2]" 1
726 1 85 MET H 1 85 MET QB . . 3.340 2.675 2.318 3.250 . 0 0 "[ . 1 . 2]" 1
727 1 85 MET HA 1 86 HIS H . . 3.200 2.225 2.114 2.416 . 0 0 "[ . 1 . 2]" 1
728 1 85 MET QB 1 86 HIS H . . 4.300 3.249 2.292 3.985 . 0 0 "[ . 1 . 2]" 1
729 1 86 HIS H 1 86 HIS HB2 . . 4.020 2.821 2.445 3.883 . 0 0 "[ . 1 . 2]" 1
730 1 86 HIS H 1 86 HIS QB . . 3.510 2.591 2.352 3.214 . 0 0 "[ . 1 . 2]" 1
731 1 86 HIS H 1 86 HIS HB3 . . 4.020 3.440 2.579 3.884 . 0 0 "[ . 1 . 2]" 1
732 1 86 HIS H 1 94 VAL QG . . 5.080 4.211 2.915 5.275 0.195 11 0 "[ . 1 . 2]" 1
733 1 86 HIS H 1 95 VAL H . . 4.490 3.744 2.808 4.594 0.104 6 0 "[ . 1 . 2]" 1
734 1 86 HIS H 1 95 VAL HB . . 5.320 4.420 2.676 5.432 0.112 7 0 "[ . 1 . 2]" 1
735 1 86 HIS H 1 96 LEU QB . . 5.500 5.135 4.068 5.622 0.122 4 0 "[ . 1 . 2]" 1
736 1 86 HIS HA 1 87 TYR H . . 3.140 2.185 2.075 2.322 . 0 0 "[ . 1 . 2]" 1
737 1 87 TYR H 1 87 TYR HB2 . . 3.740 2.980 2.178 3.411 . 0 0 "[ . 1 . 2]" 1
738 1 87 TYR H 1 87 TYR HB3 . . 3.740 2.784 2.514 3.424 . 0 0 "[ . 1 . 2]" 1
739 1 87 TYR HA 1 87 TYR QD . . 3.770 2.631 2.020 3.125 . 0 0 "[ . 1 . 2]" 1
740 1 87 TYR HA 1 88 GLU H . . 3.500 2.216 2.048 2.513 . 0 0 "[ . 1 . 2]" 1
741 1 87 TYR QD 1 88 GLU H . . 4.330 3.392 2.855 4.359 0.029 14 0 "[ . 1 . 2]" 1
742 1 87 TYR QD 1 94 VAL QG . . 4.920 3.365 1.930 5.174 0.254 5 0 "[ . 1 . 2]" 1
743 1 88 GLU HA 1 89 LEU H . . 3.380 2.412 2.123 2.962 . 0 0 "[ . 1 . 2]" 1
744 1 88 GLU QB 1 89 LEU H . . 4.300 2.980 1.877 4.013 . 0 0 "[ . 1 . 2]" 1
745 1 89 LEU H 1 89 LEU HB2 . . 3.850 2.540 2.163 3.649 . 0 0 "[ . 1 . 2]" 1
746 1 89 LEU H 1 89 LEU QB . . 3.310 2.392 2.110 2.882 . 0 0 "[ . 1 . 2]" 1
747 1 89 LEU H 1 89 LEU HB3 . . 3.850 3.383 2.586 3.665 . 0 0 "[ . 1 . 2]" 1
748 1 89 LEU H 1 89 LEU QD . . 4.440 2.521 1.750 3.875 . 0 0 "[ . 1 . 2]" 1
749 1 89 LEU H 1 89 LEU HG . . 4.850 3.824 1.832 4.736 . 0 0 "[ . 1 . 2]" 1
750 1 89 LEU H 1 90 ALA H . . 4.240 2.419 1.974 3.133 . 0 0 "[ . 1 . 2]" 1
751 1 89 LEU H 1 90 ALA MB . . 5.490 4.091 3.700 4.331 . 0 0 "[ . 1 . 2]" 1
752 1 89 LEU HA 1 89 LEU QD . . 4.000 2.271 1.843 3.378 . 0 0 "[ . 1 . 2]" 1
753 1 89 LEU QD 2 6 VAL MG2 . . 3.140 2.198 1.884 3.038 . 0 0 "[ . 1 . 2]" 1
754 1 89 LEU QD 2 8 ILE MD . . 3.800 2.381 1.795 3.848 0.048 20 0 "[ . 1 . 2]" 1
755 1 90 ALA H 1 90 ALA MB . . 3.670 2.344 2.240 2.809 . 0 0 "[ . 1 . 2]" 1
756 1 90 ALA MB 1 91 LYS HA . . 4.330 4.122 3.870 4.386 0.056 13 0 "[ . 1 . 2]" 1
757 1 91 LYS QB 1 92 ASP H . . 4.270 3.616 1.977 4.020 . 0 0 "[ . 1 . 2]" 1
758 1 92 ASP H 1 93 PHE H . . 3.900 2.935 2.151 3.987 0.087 14 0 "[ . 1 . 2]" 1
759 1 92 ASP QB 1 93 PHE H . . 4.390 2.821 1.683 4.034 . 0 0 "[ . 1 . 2]" 1
760 1 94 VAL H 1 94 VAL HB . . 4.110 2.765 2.540 3.873 . 0 0 "[ . 1 . 2]" 1
761 1 94 VAL H 1 94 VAL QG . . 4.060 2.153 1.895 2.597 . 0 0 "[ . 1 . 2]" 1
762 1 94 VAL HA 1 95 VAL H . . 3.440 2.200 2.100 2.377 . 0 0 "[ . 1 . 2]" 1
763 1 94 VAL QG 1 95 VAL H . . 3.820 2.912 2.117 3.452 . 0 0 "[ . 1 . 2]" 1
764 1 95 VAL H 1 95 VAL HB . . 4.040 2.872 2.576 3.843 . 0 0 "[ . 1 . 2]" 1
765 1 95 VAL H 1 95 VAL QG . . 3.970 2.483 1.945 2.938 . 0 0 "[ . 1 . 2]" 1
766 1 95 VAL H 1 96 LEU H . . 4.570 4.263 3.911 4.430 . 0 0 "[ . 1 . 2]" 1
767 1 95 VAL H 1 96 LEU QB . . 5.480 5.504 4.825 5.793 0.313 7 0 "[ . 1 . 2]" 1
768 1 95 VAL HA 1 96 LEU H . . 3.310 2.161 2.085 2.340 . 0 0 "[ . 1 . 2]" 1
769 1 95 VAL QG 1 96 LEU H . . 3.570 2.856 2.328 3.484 . 0 0 "[ . 1 . 2]" 1
770 1 95 VAL QG 1 114 ILE QG . . 4.180 3.824 3.164 4.383 0.203 2 0 "[ . 1 . 2]" 1
771 1 95 VAL MG1 1 96 LEU H . . 4.270 3.033 2.344 3.932 . 0 0 "[ . 1 . 2]" 1
772 1 95 VAL MG2 1 96 LEU H . . 4.270 3.976 2.594 4.324 0.054 11 0 "[ . 1 . 2]" 1
773 1 96 LEU H 1 96 LEU QB . . 3.650 2.580 2.299 3.023 . 0 0 "[ . 1 . 2]" 1
774 1 96 LEU H 1 96 LEU QD . . 3.930 3.168 1.682 3.878 . 0 0 "[ . 1 . 2]" 1
775 1 96 LEU H 1 114 ILE H . . 4.030 3.691 2.963 4.161 0.131 9 0 "[ . 1 . 2]" 1
776 1 96 LEU H 1 114 ILE MD . . 4.260 3.437 2.128 4.476 0.216 12 0 "[ . 1 . 2]" 1
777 1 96 LEU H 1 114 ILE QG . . 4.220 2.509 1.801 4.296 0.076 14 0 "[ . 1 . 2]" 1
778 1 96 LEU HA 1 96 LEU QD . . 4.240 2.369 1.970 3.363 . 0 0 "[ . 1 . 2]" 1
779 1 96 LEU HA 1 97 THR H . . 3.000 2.280 2.179 2.402 . 0 0 "[ . 1 . 2]" 1
780 1 96 LEU QB 1 97 THR H . . 4.110 2.889 2.363 3.783 . 0 0 "[ . 1 . 2]" 1
781 1 96 LEU QD 1 100 ALA H . . 5.270 4.961 4.545 5.421 0.151 13 0 "[ . 1 . 2]" 1
782 1 96 LEU QD 1 101 TYR H . . 3.630 3.349 2.537 3.713 0.083 14 0 "[ . 1 . 2]" 1
783 1 96 LEU MD1 1 100 ALA MB . . 4.140 2.767 1.859 3.945 . 0 0 "[ . 1 . 2]" 1
784 1 96 LEU MD2 1 100 ALA MB . . 4.140 3.208 1.960 3.950 . 0 0 "[ . 1 . 2]" 1
785 1 97 THR H 1 97 THR HB . . 3.730 2.848 2.616 3.243 . 0 0 "[ . 1 . 2]" 1
786 1 97 THR H 1 97 THR MG . . 3.970 3.463 2.023 3.977 0.007 11 0 "[ . 1 . 2]" 1
787 1 97 THR HA 1 98 GLY H . . 3.060 2.292 2.176 2.644 . 0 0 "[ . 1 . 2]" 1
788 1 97 THR HB 1 98 GLY H . . 4.100 3.948 3.740 4.104 0.004 1 0 "[ . 1 . 2]" 1
789 1 97 THR MG 1 98 GLY H . . 3.510 2.519 2.063 3.524 0.014 16 0 "[ . 1 . 2]" 1
790 1 98 GLY H 1 99 ASN H . . 4.350 2.630 2.138 3.409 . 0 0 "[ . 1 . 2]" 1
791 1 98 GLY H 1 100 ALA H . . 4.460 4.112 3.359 4.548 0.088 16 0 "[ . 1 . 2]" 1
792 1 98 GLY QA 1 100 ALA H . . 5.340 4.431 3.927 4.902 . 0 0 "[ . 1 . 2]" 1
793 1 99 ASN H 1 100 ALA H . . 3.810 2.938 2.702 3.233 . 0 0 "[ . 1 . 2]" 1
794 1 99 ASN H 1 112 ASP QB . . 4.140 3.530 2.457 4.294 0.154 15 0 "[ . 1 . 2]" 1
795 1 99 ASN HA 1 100 ALA H . . 3.050 2.474 2.265 2.784 . 0 0 "[ . 1 . 2]" 1
796 1 100 ALA H 1 100 ALA MB . . 2.820 2.238 2.118 2.369 . 0 0 "[ . 1 . 2]" 1
797 1 100 ALA H 1 101 TYR H . . 4.830 4.460 4.283 4.536 . 0 0 "[ . 1 . 2]" 1
798 1 100 ALA H 1 111 GLY H . . 3.880 3.598 2.998 4.013 0.133 9 0 "[ . 1 . 2]" 1
799 1 100 ALA H 1 111 GLY QA . . 4.510 3.937 2.431 4.592 0.082 1 0 "[ . 1 . 2]" 1
800 1 100 ALA HA 1 101 TYR H . . 2.910 2.284 2.089 2.569 . 0 0 "[ . 1 . 2]" 1
801 1 100 ALA MB 1 101 TYR H . . 3.430 2.633 1.986 3.383 . 0 0 "[ . 1 . 2]" 1
802 1 100 ALA MB 1 102 LEU H . . 5.500 4.639 4.031 5.132 . 0 0 "[ . 1 . 2]" 1
803 1 100 ALA MB 1 110 LYS QB . . 5.100 4.928 4.371 5.304 0.204 20 0 "[ . 1 . 2]" 1
804 1 100 ALA MB 1 111 GLY H . . 3.860 3.142 2.600 3.942 0.082 16 0 "[ . 1 . 2]" 1
805 1 100 ALA MB 1 114 ILE MD . . 3.630 2.629 1.910 3.802 0.172 8 0 "[ . 1 . 2]" 1
806 1 101 TYR H 1 101 TYR HB2 . . 3.740 3.258 3.128 3.391 . 0 0 "[ . 1 . 2]" 1
807 1 101 TYR H 1 101 TYR QB . . 3.240 2.689 2.504 2.836 . 0 0 "[ . 1 . 2]" 1
808 1 101 TYR H 1 101 TYR HB3 . . 3.740 2.869 2.620 3.050 . 0 0 "[ . 1 . 2]" 1
809 1 101 TYR H 1 101 TYR QD . . 4.550 4.403 4.251 4.508 . 0 0 "[ . 1 . 2]" 1
810 1 101 TYR H 1 114 ILE MD . . 5.500 4.778 3.718 5.568 0.068 17 0 "[ . 1 . 2]" 1
811 1 101 TYR HA 1 101 TYR QD . . 4.130 2.766 2.319 3.128 . 0 0 "[ . 1 . 2]" 1
812 1 101 TYR HA 1 102 LEU H . . 3.280 2.168 2.096 2.280 . 0 0 "[ . 1 . 2]" 1
813 1 101 TYR HA 1 111 GLY H . . 4.330 3.370 2.326 4.367 0.037 4 0 "[ . 1 . 2]" 1
814 1 101 TYR QB 1 102 LEU H . . 4.410 3.828 3.636 4.012 . 0 0 "[ . 1 . 2]" 1
815 1 101 TYR QD 1 102 LEU H . . 4.610 3.664 3.124 4.157 . 0 0 "[ . 1 . 2]" 1
816 1 101 TYR QD 1 110 LYS HA . . 4.610 3.576 2.444 4.469 . 0 0 "[ . 1 . 2]" 1
817 1 101 TYR QD 1 110 LYS QB . . 4.000 2.819 1.892 4.220 0.220 18 0 "[ . 1 . 2]" 1
818 1 101 TYR QD 1 110 LYS QG . . 3.760 2.728 1.782 3.987 0.227 15 0 "[ . 1 . 2]" 1
819 1 101 TYR QE 1 110 LYS QE . . 4.000 3.531 1.857 4.127 0.127 20 0 "[ . 1 . 2]" 1
820 1 101 TYR QE 1 110 LYS QG . . 4.070 3.304 2.528 4.192 0.122 6 0 "[ . 1 . 2]" 1
821 1 102 LEU H 1 102 LEU HB2 . . 4.140 2.926 2.381 3.313 . 0 0 "[ . 1 . 2]" 1
822 1 102 LEU H 1 102 LEU QB . . 3.580 2.504 2.348 2.707 . 0 0 "[ . 1 . 2]" 1
823 1 102 LEU H 1 102 LEU HB3 . . 4.140 2.865 2.491 3.636 . 0 0 "[ . 1 . 2]" 1
824 1 102 LEU H 1 102 LEU QD . . 4.660 3.822 3.414 4.016 . 0 0 "[ . 1 . 2]" 1
825 1 102 LEU H 1 102 LEU HG . . 5.500 4.437 2.930 5.030 . 0 0 "[ . 1 . 2]" 1
826 1 102 LEU H 1 109 ILE H . . 3.820 3.469 2.986 3.920 0.100 15 0 "[ . 1 . 2]" 1
827 1 102 LEU H 1 109 ILE HB . . 5.340 4.052 3.337 5.257 . 0 0 "[ . 1 . 2]" 1
828 1 102 LEU H 1 110 LYS HA . . 4.180 3.231 2.917 3.636 . 0 0 "[ . 1 . 2]" 1
829 1 102 LEU HA 1 102 LEU QD . . 3.970 2.030 1.852 2.167 . 0 0 "[ . 1 . 2]" 1
830 1 102 LEU HA 1 103 GLN H . . 3.300 2.140 2.075 2.197 . 0 0 "[ . 1 . 2]" 1
831 1 102 LEU QB 1 109 ILE H . . 3.950 3.085 2.397 3.768 . 0 0 "[ . 1 . 2]" 1
832 1 102 LEU QD 1 103 GLN H . . 4.000 2.576 1.831 3.468 . 0 0 "[ . 1 . 2]" 1
833 1 102 LEU HG 1 103 GLN H . . 4.680 4.130 2.993 4.888 0.208 12 0 "[ . 1 . 2]" 1
834 1 102 LEU HG 1 109 ILE H . . 5.360 4.743 3.627 5.522 0.162 12 0 "[ . 1 . 2]" 1
835 1 103 GLN H 1 103 GLN QG . . 4.150 3.532 2.106 4.092 . 0 0 "[ . 1 . 2]" 1
836 1 103 GLN HA 1 104 GLN H . . 3.030 2.163 2.067 2.273 . 0 0 "[ . 1 . 2]" 1
837 1 103 GLN HA 1 108 ASN HA . . 3.960 2.693 2.070 4.176 0.216 2 0 "[ . 1 . 2]" 1
838 1 103 GLN HA 1 109 ILE H . . 4.870 3.717 3.113 4.535 . 0 0 "[ . 1 . 2]" 1
839 1 103 GLN QB 1 104 GLN H . . 4.550 3.664 2.985 4.027 . 0 0 "[ . 1 . 2]" 1
840 1 103 GLN QG 1 104 GLN H . . 3.990 3.581 2.251 4.205 0.215 7 0 "[ . 1 . 2]" 1
841 1 104 GLN H 1 104 GLN QB . . 3.520 2.435 2.218 2.606 . 0 0 "[ . 1 . 2]" 1
842 1 104 GLN H 1 107 SER H . . 5.340 3.935 3.099 4.471 . 0 0 "[ . 1 . 2]" 1
843 1 104 GLN H 1 107 SER QB . . 4.530 4.501 3.791 4.869 0.339 18 0 "[ . 1 . 2]" 1
844 1 104 GLN H 1 108 ASN HA . . 3.910 2.682 2.054 3.809 . 0 0 "[ . 1 . 2]" 1
845 1 104 GLN HA 1 107 SER H . . 5.190 4.894 4.413 5.362 0.172 1 0 "[ . 1 . 2]" 1
846 1 104 GLN QB 1 105 VAL H . . 4.390 2.433 1.724 3.419 . 0 0 "[ . 1 . 2]" 1
847 1 104 GLN QB 1 106 ASP H . . 4.450 2.890 2.312 3.445 . 0 0 "[ . 1 . 2]" 1
848 1 104 GLN QB 1 107 SER H . . 4.100 2.507 1.897 3.750 . 0 0 "[ . 1 . 2]" 1
849 1 105 VAL H 1 105 VAL HB . . 3.600 2.659 2.452 3.616 0.016 3 0 "[ . 1 . 2]" 1
850 1 105 VAL H 1 105 VAL QG . . 3.440 1.975 1.819 2.361 . 0 0 "[ . 1 . 2]" 1
851 1 105 VAL HB 1 106 ASP H . . 3.570 2.661 2.158 3.738 0.168 3 0 "[ . 1 . 2]" 1
852 1 105 VAL HB 1 107 SER H . . 5.110 4.746 4.209 5.113 0.003 18 0 "[ . 1 . 2]" 1
853 1 105 VAL QG 1 106 ASP H . . 3.660 3.171 2.208 3.394 . 0 0 "[ . 1 . 2]" 1
854 1 105 VAL QG 1 107 SER H . . 4.690 4.615 4.054 4.944 0.254 11 0 "[ . 1 . 2]" 1
855 1 106 ASP H 1 107 SER H . . 3.450 2.290 1.774 2.923 . 0 0 "[ . 1 . 2]" 1
856 1 106 ASP HA 1 107 SER H . . 3.300 3.405 2.811 3.514 0.214 18 0 "[ . 1 . 2]" 1
857 1 106 ASP QB 1 107 SER H . . 4.430 2.786 2.199 3.814 . 0 0 "[ . 1 . 2]" 1
858 1 107 SER H 1 107 SER QB . . 3.650 2.780 2.487 3.410 . 0 0 "[ . 1 . 2]" 1
859 1 107 SER H 1 108 ASN H . . 4.680 4.267 2.483 4.600 . 0 0 "[ . 1 . 2]" 1
860 1 107 SER HA 1 108 ASN H . . 2.930 2.445 2.145 2.850 . 0 0 "[ . 1 . 2]" 1
861 1 108 ASN HA 1 109 ILE H . . 3.210 2.287 2.101 3.491 0.281 1 0 "[ . 1 . 2]" 1
862 1 108 ASN QB 1 109 ILE H . . 3.680 3.209 1.755 3.881 0.201 13 0 "[ . 1 . 2]" 1
863 1 108 ASN HB2 1 109 ILE H . . 4.390 3.572 2.883 4.436 0.046 19 0 "[ . 1 . 2]" 1
864 1 108 ASN HB3 1 109 ILE H . . 4.390 3.964 1.761 4.471 0.081 8 0 "[ . 1 . 2]" 1
865 1 109 ILE H 1 109 ILE HB . . 3.800 2.678 2.533 2.969 . 0 0 "[ . 1 . 2]" 1
866 1 109 ILE H 1 109 ILE MD . . 4.680 3.853 3.133 4.430 . 0 0 "[ . 1 . 2]" 1
867 1 109 ILE H 1 109 ILE QG . . 3.680 2.672 2.102 3.197 . 0 0 "[ . 1 . 2]" 1
868 1 109 ILE H 1 109 ILE MG . . 4.470 3.859 3.771 3.954 . 0 0 "[ . 1 . 2]" 1
869 1 109 ILE H 1 114 ILE MD . . 5.500 5.169 3.830 5.645 0.145 10 0 "[ . 1 . 2]" 1
870 1 109 ILE HA 1 110 LYS H . . 3.090 2.198 2.119 2.319 . 0 0 "[ . 1 . 2]" 1
871 1 109 ILE HB 1 109 ILE MD . . 3.310 2.662 2.354 3.246 . 0 0 "[ . 1 . 2]" 1
872 1 109 ILE HB 1 114 ILE MD . . 4.290 3.360 2.818 3.894 . 0 0 "[ . 1 . 2]" 1
873 1 109 ILE QG 1 110 LYS H . . 5.040 4.311 4.032 4.655 . 0 0 "[ . 1 . 2]" 1
874 1 109 ILE QG 1 114 ILE MG . . 4.560 4.393 3.424 4.794 0.234 13 0 "[ . 1 . 2]" 1
875 1 109 ILE MG 1 110 LYS H . . 3.670 2.555 2.048 3.056 . 0 0 "[ . 1 . 2]" 1
876 1 109 ILE MG 1 111 GLY H . . 5.350 4.578 4.076 5.030 . 0 0 "[ . 1 . 2]" 1
877 1 109 ILE MG 1 114 ILE HB . . 4.320 3.744 2.135 4.454 0.134 2 0 "[ . 1 . 2]" 1
878 1 110 LYS H 1 110 LYS QB . . 3.540 2.778 2.302 3.316 . 0 0 "[ . 1 . 2]" 1
879 1 110 LYS H 1 110 LYS QD . . 4.110 3.448 1.814 4.504 0.394 13 0 "[ . 1 . 2]" 1
880 1 110 LYS H 1 110 LYS QG . . 4.280 2.991 2.091 4.294 0.014 20 0 "[ . 1 . 2]" 1
881 1 110 LYS H 1 114 ILE MD . . 4.590 4.262 3.268 4.686 0.096 12 0 "[ . 1 . 2]" 1
882 1 110 LYS HA 1 111 GLY H . . 3.000 2.256 2.023 2.590 . 0 0 "[ . 1 . 2]" 1
883 1 110 LYS HA 1 114 ILE MD . . 4.300 3.603 2.492 4.473 0.173 15 0 "[ . 1 . 2]" 1
884 1 110 LYS QB 1 111 GLY H . . 3.780 2.838 2.056 3.712 . 0 0 "[ . 1 . 2]" 1
885 1 110 LYS QD 1 111 GLY H . . 3.990 3.757 2.669 4.306 0.316 19 0 "[ . 1 . 2]" 1
886 1 110 LYS QE 1 110 LYS QG . . 3.400 2.269 2.092 2.686 . 0 0 "[ . 1 . 2]" 1
887 1 110 LYS QG 1 111 GLY H . . 4.450 3.795 2.160 4.599 0.149 8 0 "[ . 1 . 2]" 1
888 1 111 GLY H 1 114 ILE MD . . 4.240 3.661 2.501 4.322 0.082 13 0 "[ . 1 . 2]" 1
889 1 111 GLY H 1 114 ILE QG . . 5.340 4.676 3.685 5.280 . 0 0 "[ . 1 . 2]" 1
890 1 111 GLY H 1 114 ILE MG . . 5.440 4.819 3.187 5.815 0.375 19 0 "[ . 1 . 2]" 1
891 1 113 LYS HA 1 114 ILE H . . 3.220 2.277 2.087 2.861 . 0 0 "[ . 1 . 2]" 1
892 1 113 LYS QB 1 114 ILE H . . 3.970 3.711 2.992 4.035 0.065 18 0 "[ . 1 . 2]" 1
893 1 113 LYS QG 1 114 ILE H . . 4.550 4.104 2.832 4.654 0.104 14 0 "[ . 1 . 2]" 1
894 1 114 ILE H 1 114 ILE HB . . 3.840 3.321 2.602 3.799 . 0 0 "[ . 1 . 2]" 1
895 1 114 ILE H 1 114 ILE MD . . 4.250 3.649 2.995 3.960 . 0 0 "[ . 1 . 2]" 1
896 1 114 ILE H 1 114 ILE QG . . 3.930 2.072 1.867 2.459 . 0 0 "[ . 1 . 2]" 1
897 1 114 ILE HB 1 114 ILE MD . . 3.680 2.623 2.427 3.248 . 0 0 "[ . 1 . 2]" 1
898 1 114 ILE MG 1 115 THR H . . 4.290 3.485 1.936 4.162 . 0 0 "[ . 1 . 2]" 1
899 1 115 THR H 1 116 TYR H . . 4.500 4.243 3.832 4.548 0.048 9 0 "[ . 1 . 2]" 1
900 1 116 TYR HA 1 116 TYR QD . . 3.880 2.926 2.190 3.761 . 0 0 "[ . 1 . 2]" 1
901 2 3 LYS HA 2 4 LYS H . . 3.440 2.305 2.115 2.651 . 0 0 "[ . 1 . 2]" 1
902 2 3 LYS QB 2 4 LYS H . . 4.240 2.729 2.008 3.435 . 0 0 "[ . 1 . 2]" 1
903 2 3 LYS QB 2 4 LYS HA . . 4.360 4.124 3.966 4.376 0.016 14 0 "[ . 1 . 2]" 1
904 2 3 LYS QB 2 5 PRO HD2 . . 4.620 4.686 4.577 4.795 0.175 4 0 "[ . 1 . 2]" 1
905 2 3 LYS QB 2 5 PRO QD . . 3.910 3.136 2.930 3.360 . 0 0 "[ . 1 . 2]" 1
906 2 3 LYS QB 2 5 PRO HD3 . . 4.620 3.187 2.965 3.440 . 0 0 "[ . 1 . 2]" 1
907 2 3 LYS QG 2 4 LYS H . . 4.470 4.036 3.058 4.442 . 0 0 "[ . 1 . 2]" 1
908 2 4 LYS H 2 4 LYS QG . . 4.660 3.113 2.174 4.049 . 0 0 "[ . 1 . 2]" 1
909 2 4 LYS HA 2 5 PRO HD2 . . 3.740 2.346 1.935 2.730 . 0 0 "[ . 1 . 2]" 1
910 2 4 LYS HA 2 5 PRO QD . . 3.200 2.011 1.892 2.094 . 0 0 "[ . 1 . 2]" 1
911 2 4 LYS HA 2 5 PRO HD3 . . 3.740 2.300 2.042 2.767 . 0 0 "[ . 1 . 2]" 1
912 2 4 LYS QB 2 6 VAL MG1 . . 4.510 3.533 2.466 4.598 0.088 1 0 "[ . 1 . 2]" 1
913 2 5 PRO HA 2 6 VAL H . . 2.860 2.195 2.125 2.509 . 0 0 "[ . 1 . 2]" 1
914 2 5 PRO HA 2 6 VAL MG1 . . 4.210 3.986 3.656 4.207 . 0 0 "[ . 1 . 2]" 1
915 2 5 PRO QB 2 6 VAL H . . 3.530 3.368 2.229 3.695 0.165 11 0 "[ . 1 . 2]" 1
916 2 5 PRO HB2 2 6 VAL H . . 4.060 3.755 2.259 4.132 0.072 6 0 "[ . 1 . 2]" 1
917 2 5 PRO HB3 2 6 VAL H . . 4.060 3.871 3.024 4.316 0.256 11 0 "[ . 1 . 2]" 1
918 2 5 PRO QD 2 6 VAL MG1 . . 5.350 4.862 4.020 5.458 0.108 2 0 "[ . 1 . 2]" 1
919 2 6 VAL H 2 6 VAL HB . . 3.890 3.701 3.641 3.801 . 0 0 "[ . 1 . 2]" 1
920 2 6 VAL H 2 6 VAL MG2 . . 2.970 1.985 1.874 2.212 . 0 0 "[ . 1 . 2]" 1
921 2 6 VAL MG1 2 7 PRO QD . . 4.080 3.010 2.727 3.184 . 0 0 "[ . 1 . 2]" 1
922 2 7 PRO HA 2 8 ILE H . . 3.060 2.167 2.127 2.190 . 0 0 "[ . 1 . 2]" 1
923 2 7 PRO QB 2 8 ILE H . . 3.570 3.396 3.075 3.686 0.116 1 0 "[ . 1 . 2]" 1
924 2 7 PRO HB2 2 8 ILE H . . 4.260 3.887 3.358 4.200 . 0 0 "[ . 1 . 2]" 1
925 2 7 PRO HB3 2 8 ILE H . . 4.260 3.775 3.297 4.289 0.029 1 0 "[ . 1 . 2]" 1
926 2 8 ILE H 2 8 ILE MG . . 3.820 3.774 3.678 3.823 0.003 18 0 "[ . 1 . 2]" 1
927 2 8 ILE H 2 21 MET H . . 5.500 5.247 4.200 5.595 0.095 11 0 "[ . 1 . 2]" 1
928 2 8 ILE MD 2 10 TYR QE . . 4.750 4.238 3.723 4.886 0.136 10 0 "[ . 1 . 2]" 1
929 2 8 ILE MG 2 9 ILE H . . 3.240 2.984 2.568 3.179 . 0 0 "[ . 1 . 2]" 1
930 2 8 ILE MG 2 10 TYR QD . . 4.170 2.835 2.321 3.420 . 0 0 "[ . 1 . 2]" 1
931 2 9 ILE H 2 9 ILE HB . . 3.150 2.672 2.514 2.846 . 0 0 "[ . 1 . 2]" 1
932 2 9 ILE H 2 9 ILE HG12 . . 4.200 3.612 3.227 4.175 . 0 0 "[ . 1 . 2]" 1
933 2 9 ILE H 2 9 ILE HG13 . . 4.200 2.487 2.138 3.477 . 0 0 "[ . 1 . 2]" 1
934 2 9 ILE H 2 10 TYR H . . 5.250 4.407 4.318 4.497 . 0 0 "[ . 1 . 2]" 1
935 2 9 ILE HB 2 9 ILE MD . . 3.310 2.427 2.321 2.483 . 0 0 "[ . 1 . 2]" 1
936 2 9 ILE HB 2 10 TYR H . . 4.090 4.068 3.913 4.190 0.100 4 0 "[ . 1 . 2]" 1
937 2 9 ILE MD 2 20 ARG QD . . 4.480 3.337 2.608 4.582 0.102 15 0 "[ . 1 . 2]" 1
938 2 9 ILE MD 2 20 ARG QG . . 3.920 2.733 2.064 3.935 0.015 8 0 "[ . 1 . 2]" 1
939 2 9 ILE QG 2 10 TYR H . . 4.310 4.240 4.095 4.398 0.088 2 0 "[ . 1 . 2]" 1
940 2 9 ILE QG 2 20 ARG QG . . 3.740 2.231 1.819 3.865 0.125 8 0 "[ . 1 . 2]" 1
941 2 9 ILE MG 2 10 TYR H . . 3.270 2.622 2.440 2.817 . 0 0 "[ . 1 . 2]" 1
942 2 9 ILE MG 2 11 CYS H . . 4.980 4.491 4.071 4.809 . 0 0 "[ . 1 . 2]" 1
943 2 9 ILE MG 2 18 CYS HB2 . . 4.440 3.332 2.637 4.325 . 0 0 "[ . 1 . 2]" 1
944 2 9 ILE MG 2 18 CYS QB . . 3.720 2.204 1.816 3.402 . 0 0 "[ . 1 . 2]" 1
945 2 9 ILE MG 2 18 CYS HB3 . . 4.440 2.244 1.834 3.558 . 0 0 "[ . 1 . 2]" 1
946 2 9 ILE MG 2 19 GLN H . . 3.680 2.879 2.199 3.244 . 0 0 "[ . 1 . 2]" 1
947 2 9 ILE MG 2 19 GLN QE . . 4.700 4.670 4.319 5.077 0.377 20 0 "[ . 1 . 2]" 1
948 2 9 ILE MG 2 20 ARG H . . 4.690 3.142 2.734 3.568 . 0 0 "[ . 1 . 2]" 1
949 2 9 ILE MG 2 20 ARG HA . . 4.370 2.283 1.969 2.576 . 0 0 "[ . 1 . 2]" 1
950 2 9 ILE MG 2 21 MET H . . 4.090 4.123 3.487 4.306 0.216 8 0 "[ . 1 . 2]" 1
951 2 10 TYR H 2 10 TYR HB2 . . 4.090 2.660 2.596 2.754 . 0 0 "[ . 1 . 2]" 1
952 2 10 TYR H 2 10 TYR HB3 . . 3.870 3.645 3.600 3.685 . 0 0 "[ . 1 . 2]" 1
953 2 10 TYR H 2 10 TYR QD . . 3.660 3.152 2.990 3.251 . 0 0 "[ . 1 . 2]" 1
954 2 10 TYR H 2 10 TYR QE . . 5.500 4.472 4.331 4.627 . 0 0 "[ . 1 . 2]" 1
955 2 10 TYR H 2 20 ARG HA . . 3.880 3.307 2.497 3.824 . 0 0 "[ . 1 . 2]" 1
956 2 10 TYR H 2 20 ARG QG . . 5.500 4.956 4.153 5.563 0.063 15 0 "[ . 1 . 2]" 1
957 2 10 TYR H 2 21 MET QB . . 4.870 4.373 3.715 4.911 0.041 2 0 "[ . 1 . 2]" 1
958 2 10 TYR HA 2 11 CYS H . . 3.030 2.195 2.142 2.243 . 0 0 "[ . 1 . 2]" 1
959 2 10 TYR HB2 2 19 GLN H . . 4.570 3.643 3.256 4.071 . 0 0 "[ . 1 . 2]" 1
960 2 10 TYR HB3 2 11 CYS H . . 4.160 3.356 3.136 3.561 . 0 0 "[ . 1 . 2]" 1
961 2 10 TYR QD 2 11 CYS H . . 4.520 4.315 4.081 4.497 . 0 0 "[ . 1 . 2]" 1
962 2 10 TYR QD 2 19 GLN H . . 5.460 5.077 4.408 5.441 . 0 0 "[ . 1 . 2]" 1
963 2 10 TYR QD 2 21 MET H . . 5.350 4.828 4.395 5.215 . 0 0 "[ . 1 . 2]" 1
964 2 10 TYR QD 2 21 MET QB . . 4.000 3.357 2.681 4.126 0.126 2 0 "[ . 1 . 2]" 1
965 2 10 TYR QE 2 21 MET H . . 5.010 4.602 4.035 5.005 . 0 0 "[ . 1 . 2]" 1
966 2 10 TYR QE 2 21 MET HA . . 5.050 4.295 3.055 5.083 0.033 7 0 "[ . 1 . 2]" 1
967 2 10 TYR QE 2 21 MET QB . . 3.490 2.384 2.045 2.970 . 0 0 "[ . 1 . 2]" 1
968 2 11 CYS H 2 11 CYS QB . . 3.510 2.544 2.420 2.733 . 0 0 "[ . 1 . 2]" 1
969 2 11 CYS H 2 12 ASN H . . 4.640 4.407 4.187 4.544 . 0 0 "[ . 1 . 2]" 1
970 2 11 CYS H 2 18 CYS HA . . 4.800 4.574 4.464 4.772 . 0 0 "[ . 1 . 2]" 1
971 2 11 CYS HA 2 12 ASN H . . 3.040 2.176 2.068 2.299 . 0 0 "[ . 1 . 2]" 1
972 2 11 CYS HA 2 18 CYS HA . . 3.860 1.929 1.796 2.144 . 0 0 "[ . 1 . 2]" 1
973 2 11 CYS HA 2 19 GLN H . . 3.760 3.088 2.403 3.434 . 0 0 "[ . 1 . 2]" 1
974 2 11 CYS QB 2 12 ASN H . . 3.370 3.152 2.742 3.517 0.147 6 0 "[ . 1 . 2]" 1
975 2 11 CYS QB 2 17 LYS H . . 5.500 5.056 4.287 5.697 0.197 4 0 "[ . 1 . 2]" 1
976 2 12 ASN H 2 12 ASN HB2 . . 3.720 2.960 2.245 3.129 . 0 0 "[ . 1 . 2]" 1
977 2 12 ASN H 2 12 ASN QB . . 3.190 2.422 2.220 2.578 . 0 0 "[ . 1 . 2]" 1
978 2 12 ASN H 2 12 ASN HB3 . . 3.720 2.625 2.406 3.508 . 0 0 "[ . 1 . 2]" 1
979 2 12 ASN H 2 17 LYS H . . 3.890 3.278 2.946 3.917 0.027 2 0 "[ . 1 . 2]" 1
980 2 12 ASN H 2 17 LYS QB . . 5.480 4.667 3.790 5.442 . 0 0 "[ . 1 . 2]" 1
981 2 12 ASN H 2 17 LYS QG . . 4.990 4.103 2.935 5.313 0.323 6 0 "[ . 1 . 2]" 1
982 2 12 ASN H 2 18 CYS HA . . 3.850 3.083 2.789 3.465 . 0 0 "[ . 1 . 2]" 1
983 2 12 ASN HA 2 13 ARG H . . 3.040 2.135 2.095 2.179 . 0 0 "[ . 1 . 2]" 1
984 2 12 ASN HA 2 14 ARG H . . 4.460 3.603 3.336 4.129 . 0 0 "[ . 1 . 2]" 1
985 2 12 ASN QB 2 13 ARG H . . 4.370 3.794 3.330 3.948 . 0 0 "[ . 1 . 2]" 1
986 2 12 ASN QB 2 15 THR H . . 4.090 3.273 2.012 3.713 . 0 0 "[ . 1 . 2]" 1
987 2 12 ASN QB 2 16 GLY H . . 5.130 3.694 2.833 4.020 . 0 0 "[ . 1 . 2]" 1
988 2 12 ASN QB 2 17 LYS H . . 3.850 3.238 2.602 3.819 . 0 0 "[ . 1 . 2]" 1
989 2 12 ASN HB2 2 15 THR H . . 4.870 4.586 3.250 4.882 0.012 20 0 "[ . 1 . 2]" 1
990 2 12 ASN HB3 2 15 THR H . . 4.870 3.357 2.032 3.848 . 0 0 "[ . 1 . 2]" 1
991 2 12 ASN QD 2 14 ARG HA . . 4.890 4.790 4.187 5.203 0.313 6 0 "[ . 1 . 2]" 1
992 2 12 ASN QD 2 14 ARG QB . . 4.690 2.358 1.906 2.791 . 0 0 "[ . 1 . 2]" 1
993 2 12 ASN QD 2 14 ARG QD . . 4.880 3.790 2.916 4.769 . 0 0 "[ . 1 . 2]" 1
994 2 13 ARG H 2 13 ARG QB . . 3.360 2.473 2.027 2.810 . 0 0 "[ . 1 . 2]" 1
995 2 13 ARG H 2 13 ARG HG2 . . 4.090 3.049 1.999 4.270 0.180 3 0 "[ . 1 . 2]" 1
996 2 13 ARG H 2 13 ARG QG . . 3.550 2.336 1.950 3.296 . 0 0 "[ . 1 . 2]" 1
997 2 13 ARG H 2 13 ARG HG3 . . 4.090 2.824 2.121 3.926 . 0 0 "[ . 1 . 2]" 1
998 2 13 ARG H 2 14 ARG H . . 3.570 2.477 2.289 2.625 . 0 0 "[ . 1 . 2]" 1
999 2 13 ARG H 2 14 ARG QB . . 4.580 4.219 3.979 4.657 0.077 2 0 "[ . 1 . 2]" 1
1000 2 13 ARG QG 2 14 ARG H . . 4.510 3.828 2.553 4.512 0.002 3 0 "[ . 1 . 2]" 1
1001 2 14 ARG H 2 14 ARG HB2 . . 3.440 2.469 2.236 2.714 . 0 0 "[ . 1 . 2]" 1
1002 2 14 ARG H 2 14 ARG QB . . 2.930 2.242 2.162 2.472 . 0 0 "[ . 1 . 2]" 1
1003 2 14 ARG H 2 14 ARG HB3 . . 3.440 2.685 2.330 3.598 0.158 2 0 "[ . 1 . 2]" 1
1004 2 14 ARG H 2 14 ARG HG2 . . 4.740 4.255 2.280 4.618 . 0 0 "[ . 1 . 2]" 1
1005 2 14 ARG H 2 14 ARG QG . . 4.020 3.821 2.261 4.062 0.042 12 0 "[ . 1 . 2]" 1
1006 2 14 ARG H 2 14 ARG HG3 . . 4.740 4.416 3.744 4.590 . 0 0 "[ . 1 . 2]" 1
1007 2 14 ARG H 2 15 THR MG . . 4.860 4.403 3.467 4.811 . 0 0 "[ . 1 . 2]" 1
1008 2 14 ARG HA 2 14 ARG QG . . 3.680 2.542 2.318 3.083 . 0 0 "[ . 1 . 2]" 1
1009 2 14 ARG QB 2 15 THR MG . . 3.980 3.062 2.716 3.388 . 0 0 "[ . 1 . 2]" 1
1010 2 14 ARG HB2 2 15 THR H . . 3.980 3.631 2.274 3.988 0.008 13 0 "[ . 1 . 2]" 1
1011 2 14 ARG HB2 2 15 THR MG . . 4.640 4.437 2.893 4.731 0.091 15 0 "[ . 1 . 2]" 1
1012 2 14 ARG HB3 2 15 THR H . . 3.980 2.595 2.163 4.000 0.020 14 0 "[ . 1 . 2]" 1
1013 2 14 ARG HB3 2 15 THR MG . . 4.640 3.174 2.744 3.807 . 0 0 "[ . 1 . 2]" 1
1014 2 14 ARG QG 2 15 THR H . . 4.560 3.789 2.834 4.450 . 0 0 "[ . 1 . 2]" 1
1015 2 14 ARG QG 2 15 THR MG . . 4.840 3.714 2.187 4.870 0.030 20 0 "[ . 1 . 2]" 1
1016 2 15 THR H 2 15 THR MG . . 3.270 2.498 1.869 2.898 . 0 0 "[ . 1 . 2]" 1
1017 2 15 THR H 2 16 GLY QA . . 4.920 4.117 3.951 4.307 . 0 0 "[ . 1 . 2]" 1
1018 2 15 THR H 2 17 LYS H . . 4.670 3.974 3.436 4.377 . 0 0 "[ . 1 . 2]" 1
1019 2 15 THR HA 2 15 THR MG . . 3.510 2.518 2.248 3.217 . 0 0 "[ . 1 . 2]" 1
1020 2 15 THR HB 2 16 GLY H . . 4.260 3.962 3.700 4.255 . 0 0 "[ . 1 . 2]" 1
1021 2 15 THR MG 2 16 GLY H . . 4.130 3.679 2.099 4.191 0.061 1 0 "[ . 1 . 2]" 1
1022 2 16 GLY H 2 17 LYS H . . 3.270 2.504 2.187 2.800 . 0 0 "[ . 1 . 2]" 1
1023 2 17 LYS H 2 17 LYS QB . . 3.150 2.944 2.152 3.267 0.117 12 0 "[ . 1 . 2]" 1
1024 2 17 LYS H 2 17 LYS QG . . 3.460 2.771 2.310 3.868 0.408 2 0 "[ . 1 . 2]" 1
1025 2 18 CYS HA 2 19 GLN H . . 2.980 2.185 2.106 2.426 . 0 0 "[ . 1 . 2]" 1
1026 2 18 CYS QB 2 19 GLN H . . 3.470 3.148 2.428 3.638 0.168 8 0 "[ . 1 . 2]" 1
1027 2 19 GLN H 2 19 GLN HB2 . . 3.920 2.899 2.402 3.921 0.001 11 0 "[ . 1 . 2]" 1
1028 2 19 GLN H 2 19 GLN QB . . 3.390 2.558 2.342 3.191 . 0 0 "[ . 1 . 2]" 1
1029 2 19 GLN H 2 19 GLN HB3 . . 3.920 3.152 2.489 3.802 . 0 0 "[ . 1 . 2]" 1
1030 2 19 GLN H 2 19 GLN QG . . 4.270 3.625 2.279 4.222 . 0 0 "[ . 1 . 2]" 1
1031 2 19 GLN HA 2 20 ARG H . . 2.900 2.151 2.108 2.222 . 0 0 "[ . 1 . 2]" 1
1032 2 19 GLN HA 2 20 ARG QB . . 4.830 4.279 3.897 4.509 . 0 0 "[ . 1 . 2]" 1
1033 2 19 GLN QG 2 20 ARG H . . 4.700 3.833 2.545 4.721 0.021 15 0 "[ . 1 . 2]" 1
1034 2 20 ARG H 2 20 ARG HB2 . . 3.640 2.551 2.179 3.653 0.013 8 0 "[ . 1 . 2]" 1
1035 2 20 ARG H 2 20 ARG QB . . 3.000 2.376 2.157 2.825 . 0 0 "[ . 1 . 2]" 1
1036 2 20 ARG H 2 20 ARG HB3 . . 3.640 3.268 2.456 3.644 0.004 7 0 "[ . 1 . 2]" 1
1037 2 20 ARG H 2 20 ARG QD . . 4.730 4.213 3.635 4.680 . 0 0 "[ . 1 . 2]" 1
1038 2 20 ARG H 2 20 ARG QG . . 3.770 2.816 1.976 3.963 0.193 13 0 "[ . 1 . 2]" 1
1039 2 20 ARG H 2 21 MET H . . 4.810 4.526 4.304 4.616 . 0 0 "[ . 1 . 2]" 1
1040 2 20 ARG HA 2 21 MET H . . 2.950 2.226 2.131 2.365 . 0 0 "[ . 1 . 2]" 1
1041 2 20 ARG QB 2 20 ARG QD . . 3.060 2.265 2.093 2.411 . 0 0 "[ . 1 . 2]" 1
1042 2 20 ARG QB 2 21 MET H . . 3.730 3.064 2.361 3.682 . 0 0 "[ . 1 . 2]" 1
1043 2 20 ARG HB2 2 20 ARG QD . . 3.860 2.636 2.155 3.074 . 0 0 "[ . 1 . 2]" 1
1044 2 20 ARG HB3 2 20 ARG QD . . 3.860 2.590 2.278 3.205 . 0 0 "[ . 1 . 2]" 1
1045 2 21 MET H 2 21 MET HB2 . . 3.980 2.742 2.315 3.187 . 0 0 "[ . 1 . 2]" 1
1046 2 21 MET H 2 21 MET QB . . 3.210 2.378 2.195 2.595 . 0 0 "[ . 1 . 2]" 1
1047 2 21 MET H 2 21 MET HB3 . . 3.980 2.678 2.363 3.538 . 0 0 "[ . 1 . 2]" 1
1048 2 21 MET H 2 21 MET QG . . 4.650 4.059 3.462 4.234 . 0 0 "[ . 1 . 2]" 1
1049 2 21 MET HA 2 21 MET QG . . 3.610 2.789 2.418 3.031 . 0 0 "[ . 1 . 2]" 1
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