Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
425474 | 2gjh RC | 7101 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2gjh
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 46
_Distance_constraint_stats_list.Viol_count 211
_Distance_constraint_stats_list.Viol_total 111.466
_Distance_constraint_stats_list.Viol_max 0.094
_Distance_constraint_stats_list.Viol_rms 0.0158
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0061
_Distance_constraint_stats_list.Viol_average_violations_only 0.0264
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 GLU 0.035 0.020 18 0 "[ . 1 . 2]"
1 4 VAL 0.649 0.059 16 0 "[ . 1 . 2]"
1 5 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 ILE 0.607 0.073 16 0 "[ . 1 . 2]"
1 8 ILE 1.211 0.085 12 0 "[ . 1 . 2]"
1 9 THR 0.001 0.001 16 0 "[ . 1 . 2]"
1 10 ALA 0.174 0.039 6 0 "[ . 1 . 2]"
1 11 ARG 0.015 0.008 12 0 "[ . 1 . 2]"
1 18 LYS 0.069 0.009 15 0 "[ . 1 . 2]"
1 19 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 ILE 0.272 0.041 6 0 "[ . 1 . 2]"
1 23 LEU 2.272 0.094 20 0 "[ . 1 . 2]"
1 26 VAL 0.231 0.039 6 0 "[ . 1 . 2]"
1 30 LEU 0.038 0.010 19 0 "[ . 1 . 2]"
2 2 GLU 0.015 0.008 12 0 "[ . 1 . 2]"
2 4 VAL 0.520 0.053 10 0 "[ . 1 . 2]"
2 5 ARG 0.001 0.001 16 0 "[ . 1 . 2]"
2 6 ILE 0.864 0.085 12 0 "[ . 1 . 2]"
2 8 ILE 0.911 0.073 16 0 "[ . 1 . 2]"
2 9 THR 0.000 0.000 . 0 "[ . 1 . 2]"
2 10 ALA 0.345 0.049 6 0 "[ . 1 . 2]"
2 11 ARG 0.035 0.020 18 0 "[ . 1 . 2]"
2 18 LYS 0.038 0.010 19 0 "[ . 1 . 2]"
2 19 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
2 22 ILE 0.231 0.039 6 0 "[ . 1 . 2]"
2 23 LEU 2.272 0.094 20 0 "[ . 1 . 2]"
2 26 VAL 0.272 0.041 6 0 "[ . 1 . 2]"
2 30 LEU 0.069 0.009 15 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 5 ARG QB 2 9 THR HB . . 4.000 2.960 2.354 3.460 . 0 0 "[ . 1 . 2]" 1
2 1 9 THR HB 2 5 ARG QB . . 4.000 3.308 2.319 4.001 0.001 16 0 "[ . 1 . 2]" 1
3 1 6 ILE HA 2 8 ILE MG . . 4.170 3.301 3.000 3.647 . 0 0 "[ . 1 . 2]" 1
4 1 8 ILE MG 2 6 ILE HA . . 4.170 3.158 2.895 3.562 . 0 0 "[ . 1 . 2]" 1
5 1 4 VAL HA 2 10 ALA HA . . 3.660 3.676 3.645 3.709 0.049 6 0 "[ . 1 . 2]" 1
6 1 10 ALA HA 2 4 VAL HA . . 3.660 3.655 3.411 3.699 0.039 6 0 "[ . 1 . 2]" 1
7 1 6 ILE MD 2 8 ILE MD . . 3.820 3.122 2.566 3.434 . 0 0 "[ . 1 . 2]" 1
8 1 8 ILE MD 2 6 ILE MD . . 3.820 3.328 2.621 3.797 . 0 0 "[ . 1 . 2]" 1
9 1 22 ILE MG 2 26 VAL HA . . 4.260 4.185 4.072 4.256 . 0 0 "[ . 1 . 2]" 1
10 1 26 VAL HA 2 22 ILE MG . . 4.260 4.182 4.144 4.239 . 0 0 "[ . 1 . 2]" 1
11 1 11 ARG HD3 2 2 GLU HA . . 4.410 4.020 2.715 4.415 0.005 5 0 "[ . 1 . 2]" 1
12 1 2 GLU HA 2 11 ARG HD3 . . 4.410 3.781 2.490 4.430 0.020 18 0 "[ . 1 . 2]" 1
13 1 11 ARG HD2 2 2 GLU HA . . 4.410 3.628 2.487 4.418 0.008 12 0 "[ . 1 . 2]" 1
14 1 2 GLU HA 2 11 ARG HD2 . . 4.410 3.217 2.156 4.285 . 0 0 "[ . 1 . 2]" 1
15 1 10 ALA MB 2 4 VAL MG2 . . 3.990 3.479 3.319 3.611 . 0 0 "[ . 1 . 2]" 1
16 1 10 ALA MB 2 4 VAL MG1 . . 3.990 3.494 3.200 3.734 . 0 0 "[ . 1 . 2]" 1
17 1 4 VAL MG1 2 10 ALA MB . . 3.990 3.441 3.183 3.660 . 0 0 "[ . 1 . 2]" 1
18 1 4 VAL MG2 2 10 ALA MB . . 3.990 3.523 3.377 3.836 . 0 0 "[ . 1 . 2]" 1
19 1 6 ILE HG12 2 8 ILE MD . . 4.320 3.806 3.590 3.920 . 0 0 "[ . 1 . 2]" 1
20 1 8 ILE MD 2 6 ILE HG12 . . 4.320 3.860 3.564 3.959 . 0 0 "[ . 1 . 2]" 1
21 1 2 GLU HA 2 11 ARG QD . . 3.870 2.946 2.138 3.875 0.005 20 0 "[ . 1 . 2]" 1
22 1 4 VAL QG 2 8 ILE MD . . 4.360 4.371 4.315 4.419 0.059 16 0 "[ . 1 . 2]" 1
23 1 4 VAL QG 2 10 ALA HA . . 3.940 3.359 3.216 3.595 . 0 0 "[ . 1 . 2]" 1
24 1 4 VAL QG 2 10 ALA MB . . 3.330 3.095 2.947 3.333 0.003 3 0 "[ . 1 . 2]" 1
25 1 6 ILE QG 2 8 ILE MD . . 3.730 3.698 3.496 3.803 0.073 16 0 "[ . 1 . 2]" 1
26 1 8 ILE MD 2 4 VAL QG . . 4.360 4.370 4.256 4.413 0.053 10 0 "[ . 1 . 2]" 1
27 1 8 ILE MD 2 6 ILE QG . . 3.730 3.750 3.473 3.815 0.085 12 0 "[ . 1 . 2]" 1
28 1 10 ALA HA 2 4 VAL QG . . 3.940 3.383 3.073 3.604 . 0 0 "[ . 1 . 2]" 1
29 1 10 ALA MB 2 4 VAL QG . . 3.330 3.099 2.972 3.202 . 0 0 "[ . 1 . 2]" 1
30 1 11 ARG QD 2 2 GLU HA . . 3.870 3.311 2.458 3.871 0.001 14 0 "[ . 1 . 2]" 1
31 1 18 LYS QD 2 30 LEU QD . . 4.190 4.145 3.821 4.199 0.009 15 0 "[ . 1 . 2]" 1
32 1 19 PHE QD 2 26 VAL QG . . 4.060 3.557 3.009 3.779 . 0 0 "[ . 1 . 2]" 1
33 1 22 ILE HA 2 26 VAL QG . . 4.310 4.322 4.290 4.351 0.041 6 0 "[ . 1 . 2]" 1
34 1 22 ILE HB 2 26 VAL QG . . 4.320 2.931 2.768 3.054 . 0 0 "[ . 1 . 2]" 1
35 1 22 ILE MG 2 26 VAL QG . . 3.450 1.725 1.687 1.765 . 0 0 "[ . 1 . 2]" 1
36 1 22 ILE MD 2 30 LEU QD . . 3.790 2.465 2.298 2.682 . 0 0 "[ . 1 . 2]" 1
37 1 23 LEU HA 2 23 LEU QD . . 4.150 4.204 4.174 4.242 0.092 10 0 "[ . 1 . 2]" 1
38 1 23 LEU HG 2 23 LEU QD . . 4.330 3.896 3.871 3.928 . 0 0 "[ . 1 . 2]" 1
39 1 23 LEU QD 2 23 LEU HA . . 4.150 4.209 4.177 4.244 0.094 20 0 "[ . 1 . 2]" 1
40 1 23 LEU QD 2 23 LEU HG . . 4.330 3.896 3.861 3.928 . 0 0 "[ . 1 . 2]" 1
41 1 26 VAL QG 2 19 PHE QD . . 4.060 3.410 2.875 3.803 . 0 0 "[ . 1 . 2]" 1
42 1 26 VAL QG 2 22 ILE HA . . 4.310 4.321 4.298 4.349 0.039 6 0 "[ . 1 . 2]" 1
43 1 26 VAL QG 2 22 ILE HB . . 4.320 2.930 2.778 3.128 . 0 0 "[ . 1 . 2]" 1
44 1 26 VAL QG 2 22 ILE MG . . 3.450 1.723 1.689 1.757 . 0 0 "[ . 1 . 2]" 1
45 1 30 LEU QD 2 18 LYS QD . . 4.190 4.039 3.613 4.200 0.010 19 0 "[ . 1 . 2]" 1
46 1 30 LEU QD 2 22 ILE MD . . 3.790 2.362 2.171 2.588 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 2152
_Distance_constraint_stats_list.Viol_count 2525
_Distance_constraint_stats_list.Viol_total 1389.636
_Distance_constraint_stats_list.Viol_max 0.550
_Distance_constraint_stats_list.Viol_rms 0.0111
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0016
_Distance_constraint_stats_list.Viol_average_violations_only 0.0275
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 GLU 0.407 0.079 20 0 "[ . 1 . 2]"
1 3 ARG 0.650 0.127 20 0 "[ . 1 . 2]"
1 4 VAL 2.290 0.127 20 0 "[ . 1 . 2]"
1 5 ARG 1.358 0.060 11 0 "[ . 1 . 2]"
1 6 ILE 0.780 0.062 12 0 "[ . 1 . 2]"
1 7 SER 0.900 0.092 20 0 "[ . 1 . 2]"
1 8 ILE 5.292 0.207 10 0 "[ . 1 . 2]"
1 9 THR 0.671 0.117 19 0 "[ . 1 . 2]"
1 10 ALA 0.711 0.187 6 0 "[ . 1 . 2]"
1 11 ARG 0.210 0.042 19 0 "[ . 1 . 2]"
1 12 THR 0.315 0.073 19 0 "[ . 1 . 2]"
1 13 LYS 0.187 0.073 19 0 "[ . 1 . 2]"
1 14 LYS 0.200 0.033 18 0 "[ . 1 . 2]"
1 15 GLU 0.085 0.023 18 0 "[ . 1 . 2]"
1 16 ALA 0.274 0.029 12 0 "[ . 1 . 2]"
1 17 GLU 0.652 0.113 18 0 "[ . 1 . 2]"
1 18 LYS 0.158 0.021 18 0 "[ . 1 . 2]"
1 19 PHE 0.499 0.082 18 0 "[ . 1 . 2]"
1 20 ALA 0.980 0.052 12 0 "[ . 1 . 2]"
1 21 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 ILE 0.556 0.037 19 0 "[ . 1 . 2]"
1 23 LEU 2.428 0.070 12 0 "[ . 1 . 2]"
1 24 ILE 0.046 0.007 16 0 "[ . 1 . 2]"
1 25 LYS 1.134 0.130 14 0 "[ . 1 . 2]"
1 26 VAL 0.752 0.130 14 0 "[ . 1 . 2]"
1 27 PHE 3.935 0.165 1 0 "[ . 1 . 2]"
1 28 ALA 0.233 0.048 19 0 "[ . 1 . 2]"
1 29 GLU 0.352 0.026 15 0 "[ . 1 . 2]"
1 30 LEU 0.435 0.029 14 0 "[ . 1 . 2]"
1 31 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 TYR 6.612 0.165 1 0 "[ . 1 . 2]"
1 33 ASN 2.489 0.184 17 0 "[ . 1 . 2]"
1 34 ASP 1.991 0.184 17 0 "[ . 1 . 2]"
1 35 ILE 4.215 0.087 11 0 "[ . 1 . 2]"
1 36 ASN 1.053 0.058 14 0 "[ . 1 . 2]"
1 37 VAL 1.320 0.058 14 0 "[ . 1 . 2]"
1 38 THR 0.224 0.065 6 0 "[ . 1 . 2]"
1 39 TRP 0.461 0.247 6 0 "[ . 1 . 2]"
1 40 ASP 0.019 0.008 20 0 "[ . 1 . 2]"
1 41 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 ASP 0.148 0.072 6 0 "[ . 1 . 2]"
1 43 THR 0.392 0.069 20 0 "[ . 1 . 2]"
1 44 VAL 1.016 0.155 10 0 "[ . 1 . 2]"
1 45 THR 0.321 0.057 10 0 "[ . 1 . 2]"
1 46 VAL 2.561 0.062 12 0 "[ . 1 . 2]"
1 47 GLU 0.203 0.028 6 0 "[ . 1 . 2]"
1 48 GLY 0.034 0.016 12 0 "[ . 1 . 2]"
1 49 GLN 1.021 0.089 12 0 "[ . 1 . 2]"
1 50 LEU 1.247 0.125 20 0 "[ . 1 . 2]"
1 51 GLU 0.444 0.089 12 0 "[ . 1 . 2]"
1 52 GLY 0.013 0.013 10 0 "[ . 1 . 2]"
1 54 SER 0.704 0.249 15 0 "[ . 1 . 2]"
1 55 LEU 0.553 0.249 15 0 "[ . 1 . 2]"
1 56 GLU 3.221 0.300 19 0 "[ . 1 . 2]"
1 57 HIS 2.601 0.300 19 0 "[ . 1 . 2]"
1 58 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
2 2 GLU 0.443 0.069 14 0 "[ . 1 . 2]"
2 3 ARG 0.531 0.058 13 0 "[ . 1 . 2]"
2 4 VAL 2.225 0.071 14 0 "[ . 1 . 2]"
2 5 ARG 1.517 0.055 17 0 "[ . 1 . 2]"
2 6 ILE 0.680 0.036 17 0 "[ . 1 . 2]"
2 7 SER 0.906 0.061 17 0 "[ . 1 . 2]"
2 8 ILE 5.001 0.205 16 0 "[ . 1 . 2]"
2 9 THR 1.459 0.116 14 0 "[ . 1 . 2]"
2 10 ALA 2.053 0.173 6 0 "[ . 1 . 2]"
2 11 ARG 0.714 0.083 16 0 "[ . 1 . 2]"
2 12 THR 1.265 0.098 11 0 "[ . 1 . 2]"
2 13 LYS 0.701 0.098 11 0 "[ . 1 . 2]"
2 14 LYS 0.426 0.048 8 0 "[ . 1 . 2]"
2 15 GLU 0.135 0.018 8 0 "[ . 1 . 2]"
2 16 ALA 0.206 0.024 10 0 "[ . 1 . 2]"
2 17 GLU 1.530 0.114 7 0 "[ . 1 . 2]"
2 18 LYS 0.172 0.020 12 0 "[ . 1 . 2]"
2 19 PHE 0.520 0.067 11 0 "[ . 1 . 2]"
2 20 ALA 1.162 0.050 10 0 "[ . 1 . 2]"
2 21 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 22 ILE 0.886 0.052 14 0 "[ . 1 . 2]"
2 23 LEU 2.598 0.070 13 0 "[ . 1 . 2]"
2 24 ILE 0.105 0.051 1 0 "[ . 1 . 2]"
2 25 LYS 1.742 0.550 1 1 "[+ . 1 . 2]"
2 26 VAL 1.274 0.550 1 1 "[+ . 1 . 2]"
2 27 PHE 3.828 0.158 19 0 "[ . 1 . 2]"
2 28 ALA 0.244 0.036 5 0 "[ . 1 . 2]"
2 29 GLU 0.451 0.062 11 0 "[ . 1 . 2]"
2 30 LEU 0.540 0.062 11 0 "[ . 1 . 2]"
2 31 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
2 32 TYR 6.628 0.158 19 0 "[ . 1 . 2]"
2 33 ASN 2.229 0.088 10 0 "[ . 1 . 2]"
2 34 ASP 1.786 0.093 14 0 "[ . 1 . 2]"
2 35 ILE 4.212 0.093 14 0 "[ . 1 . 2]"
2 36 ASN 1.126 0.062 7 0 "[ . 1 . 2]"
2 37 VAL 1.377 0.062 7 0 "[ . 1 . 2]"
2 38 THR 0.170 0.045 10 0 "[ . 1 . 2]"
2 39 TRP 0.380 0.176 10 0 "[ . 1 . 2]"
2 40 ASP 0.012 0.006 8 0 "[ . 1 . 2]"
2 41 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
2 42 ASP 0.134 0.030 16 0 "[ . 1 . 2]"
2 43 THR 0.665 0.045 7 0 "[ . 1 . 2]"
2 44 VAL 0.724 0.141 16 0 "[ . 1 . 2]"
2 45 THR 0.376 0.041 7 0 "[ . 1 . 2]"
2 46 VAL 2.784 0.053 18 0 "[ . 1 . 2]"
2 47 GLU 0.229 0.028 2 0 "[ . 1 . 2]"
2 48 GLY 0.037 0.023 13 0 "[ . 1 . 2]"
2 49 GLN 1.081 0.079 3 0 "[ . 1 . 2]"
2 50 LEU 1.491 0.113 14 0 "[ . 1 . 2]"
2 51 GLU 0.578 0.079 3 0 "[ . 1 . 2]"
2 52 GLY 0.017 0.013 10 0 "[ . 1 . 2]"
2 54 SER 0.197 0.032 16 0 "[ . 1 . 2]"
2 55 LEU 1.125 0.136 19 0 "[ . 1 . 2]"
2 56 GLU 2.060 0.264 17 0 "[ . 1 . 2]"
2 57 HIS 1.687 0.164 19 0 "[ . 1 . 2]"
2 58 HIS 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 3 ARG HA 1 3 ARG QD . . 4.480 3.571 2.074 3.768 . 0 0 "[ . 1 . 2]" 2
2 1 3 ARG HB2 1 4 VAL H . . 4.340 4.069 3.899 4.286 . 0 0 "[ . 1 . 2]" 2
3 1 3 ARG HA 1 3 ARG HG2 . . 3.830 2.536 2.201 3.836 0.006 20 0 "[ . 1 . 2]" 2
4 1 3 ARG H 1 3 ARG HG3 . . 4.860 4.729 4.188 4.851 . 0 0 "[ . 1 . 2]" 2
5 1 3 ARG HA 1 3 ARG HG3 . . 3.830 3.493 3.344 3.588 . 0 0 "[ . 1 . 2]" 2
6 1 4 VAL HB 1 5 ARG H . . 4.960 4.178 4.106 4.204 . 0 0 "[ . 1 . 2]" 2
7 1 4 VAL HB 1 5 ARG HA . . 4.690 4.693 4.655 4.736 0.046 6 0 "[ . 1 . 2]" 2
8 1 4 VAL MG2 1 27 PHE QE . . 3.830 2.989 2.703 3.366 . 0 0 "[ . 1 . 2]" 2
9 1 6 ILE HA 1 7 SER HB2 . . 5.500 5.244 4.756 5.505 0.005 10 0 "[ . 1 . 2]" 2
10 1 6 ILE HB 1 46 VAL H . . 4.520 3.732 3.684 3.760 . 0 0 "[ . 1 . 2]" 2
11 1 6 ILE HB 1 27 PHE QE . . 4.200 3.360 3.210 3.532 . 0 0 "[ . 1 . 2]" 2
12 1 5 ARG HA 1 6 ILE HB . . 4.980 4.664 4.574 4.755 . 0 0 "[ . 1 . 2]" 2
13 1 6 ILE HB 1 46 VAL MG1 . . 3.580 1.961 1.899 2.077 . 0 0 "[ . 1 . 2]" 2
14 1 6 ILE HA 1 6 ILE HG12 . . 4.020 2.571 2.517 2.643 . 0 0 "[ . 1 . 2]" 2
15 1 8 ILE HA 1 8 ILE HG13 . . 4.120 3.636 2.829 3.751 . 0 0 "[ . 1 . 2]" 2
16 1 6 ILE MG 1 27 PHE QE . . 4.660 4.409 4.258 4.545 . 0 0 "[ . 1 . 2]" 2
17 1 6 ILE HA 1 6 ILE MD . . 4.440 3.845 3.823 3.880 . 0 0 "[ . 1 . 2]" 2
18 1 6 ILE HB 1 6 ILE MD . . 3.600 2.410 2.349 2.426 . 0 0 "[ . 1 . 2]" 2
19 1 4 VAL HB 1 6 ILE MD . . 5.500 4.933 4.758 5.024 . 0 0 "[ . 1 . 2]" 2
20 1 7 SER HA 1 45 THR MG . . 4.130 2.432 2.200 3.057 . 0 0 "[ . 1 . 2]" 2
21 1 7 SER HB2 1 8 ILE H . . 4.310 3.727 3.419 4.031 . 0 0 "[ . 1 . 2]" 2
22 1 6 ILE HA 1 7 SER HB3 . . 5.500 5.327 4.344 5.512 0.012 15 0 "[ . 1 . 2]" 2
23 1 8 ILE H 1 8 ILE HB . . 4.050 3.649 2.621 3.781 . 0 0 "[ . 1 . 2]" 2
24 1 8 ILE H 1 8 ILE HG13 . . 4.200 3.179 2.011 3.362 . 0 0 "[ . 1 . 2]" 2
25 1 8 ILE HA 1 8 ILE HG12 . . 4.120 3.620 2.758 4.168 0.048 12 0 "[ . 1 . 2]" 2
26 1 8 ILE MG 1 9 THR H . . 3.990 3.832 2.226 4.016 0.026 10 0 "[ . 1 . 2]" 2
27 1 8 ILE MG 1 16 ALA HA . . 5.500 4.646 2.983 5.529 0.029 12 0 "[ . 1 . 2]" 2
28 1 8 ILE MG 1 19 PHE HA . . 5.500 5.293 5.027 5.508 0.008 19 0 "[ . 1 . 2]" 2
29 1 8 ILE MG 1 19 PHE HB2 . . 4.560 3.708 3.193 4.047 . 0 0 "[ . 1 . 2]" 2
30 1 8 ILE MG 1 19 PHE HB3 . . 4.100 3.087 2.829 3.628 . 0 0 "[ . 1 . 2]" 2
31 1 6 ILE HG13 1 6 ILE MG . . 3.460 3.190 3.186 3.203 . 0 0 "[ . 1 . 2]" 2
32 1 8 ILE H 1 8 ILE MD . . 3.490 3.647 3.579 3.697 0.207 10 0 "[ . 1 . 2]" 2
33 1 8 ILE HA 1 8 ILE MD . . 4.670 4.121 3.792 4.170 . 0 0 "[ . 1 . 2]" 2
34 1 8 ILE HB 1 8 ILE MD . . 3.700 2.421 2.080 2.483 . 0 0 "[ . 1 . 2]" 2
35 1 9 THR HA 1 10 ALA HA . . 4.790 4.426 4.402 4.474 . 0 0 "[ . 1 . 2]" 2
36 1 10 ALA HA 1 11 ARG QB . . 5.000 4.305 4.162 4.810 . 0 0 "[ . 1 . 2]" 2
37 1 10 ALA HA 1 15 GLU HB3 . . 5.220 4.234 3.754 4.520 . 0 0 "[ . 1 . 2]" 2
38 1 9 THR HA 1 10 ALA MB . . 4.790 4.078 3.781 4.284 . 0 0 "[ . 1 . 2]" 2
39 1 10 ALA MB 1 13 LYS HA . . 5.480 4.343 4.058 4.508 . 0 0 "[ . 1 . 2]" 2
40 1 10 ALA MB 1 15 GLU QG . . 4.670 3.422 2.997 3.706 . 0 0 "[ . 1 . 2]" 2
41 1 10 ALA MB 1 15 GLU HB3 . . 3.530 2.086 1.882 2.332 . 0 0 "[ . 1 . 2]" 2
42 1 8 ILE MD 1 10 ALA MB . . 4.060 3.797 3.181 4.247 0.187 6 0 "[ . 1 . 2]" 2
43 1 11 ARG HA 1 11 ARG HD2 . . 5.500 4.445 2.035 5.518 0.018 5 0 "[ . 1 . 2]" 2
44 1 11 ARG HA 1 11 ARG HD3 . . 5.500 4.748 3.668 5.515 0.015 9 0 "[ . 1 . 2]" 2
45 1 11 ARG QB 1 11 ARG QG . . 2.410 2.078 1.999 2.087 . 0 0 "[ . 1 . 2]" 2
46 1 11 ARG QB 1 12 THR MG . . 3.800 3.339 2.846 3.828 0.028 6 0 "[ . 1 . 2]" 2
47 1 12 THR MG 1 13 LYS H . . 5.370 3.678 3.063 3.959 . 0 0 "[ . 1 . 2]" 2
48 1 12 THR MG 1 14 LYS H . . 3.340 2.941 1.929 3.243 . 0 0 "[ . 1 . 2]" 2
49 1 12 THR HA 1 12 THR MG . . 3.260 3.189 3.178 3.194 . 0 0 "[ . 1 . 2]" 2
50 1 12 THR MG 1 15 GLU QG . . 3.020 2.292 1.885 2.980 . 0 0 "[ . 1 . 2]" 2
51 1 12 THR MG 1 15 GLU HB3 . . 5.170 3.533 3.387 3.852 . 0 0 "[ . 1 . 2]" 2
52 1 10 ALA MB 1 12 THR MG . . 4.540 3.586 3.167 3.916 . 0 0 "[ . 1 . 2]" 2
53 1 13 LYS QG 1 15 GLU H . . 5.500 4.442 4.283 4.728 . 0 0 "[ . 1 . 2]" 2
54 1 12 THR HB 1 13 LYS QG . . 4.670 4.663 4.597 4.743 0.073 19 0 "[ . 1 . 2]" 2
55 1 14 LYS H 1 14 LYS HG2 . . 4.630 3.422 2.077 4.554 . 0 0 "[ . 1 . 2]" 2
56 1 14 LYS QD 1 14 LYS HG2 . . 2.800 2.317 2.141 2.529 . 0 0 "[ . 1 . 2]" 2
57 1 14 LYS QD 1 14 LYS HG3 . . 2.800 2.337 2.143 2.532 . 0 0 "[ . 1 . 2]" 2
58 1 13 LYS QG 1 14 LYS QD . . 5.130 3.378 2.028 4.253 . 0 0 "[ . 1 . 2]" 2
59 1 14 LYS HA 1 14 LYS QE . . 2.550 2.320 2.032 2.552 0.002 18 0 "[ . 1 . 2]" 2
60 1 14 LYS QE 1 14 LYS HG3 . . 3.520 2.622 2.010 3.394 . 0 0 "[ . 1 . 2]" 2
61 1 11 ARG H 1 15 GLU HB3 . . 5.500 3.805 3.249 4.591 . 0 0 "[ . 1 . 2]" 2
62 1 10 ALA MB 1 15 GLU HB2 . . 3.820 2.349 1.958 2.835 . 0 0 "[ . 1 . 2]" 2
63 1 17 GLU H 1 17 GLU HG3 . . 4.050 3.447 2.954 4.129 0.079 18 0 "[ . 1 . 2]" 2
64 1 17 GLU HA 1 17 GLU HG2 . . 3.630 2.397 2.059 3.743 0.113 18 0 "[ . 1 . 2]" 2
65 1 17 GLU HG2 1 20 ALA MB . . 5.500 4.149 3.528 5.500 0.000 18 0 "[ . 1 . 2]" 2
66 1 18 LYS HA 1 21 ALA MB . . 3.310 3.015 2.804 3.252 . 0 0 "[ . 1 . 2]" 2
67 1 18 LYS H 1 18 LYS HG3 . . 3.960 3.139 3.018 3.451 . 0 0 "[ . 1 . 2]" 2
68 1 18 LYS HA 1 18 LYS HG3 . . 3.840 3.758 3.681 3.815 . 0 0 "[ . 1 . 2]" 2
69 1 18 LYS H 1 18 LYS QD . . 4.240 4.071 3.899 4.231 . 0 0 "[ . 1 . 2]" 2
70 1 15 GLU HA 1 18 LYS QD . . 5.090 4.763 4.435 5.062 . 0 0 "[ . 1 . 2]" 2
71 1 18 LYS QB 1 18 LYS QD . . 3.450 2.108 2.016 2.221 . 0 0 "[ . 1 . 2]" 2
72 1 19 PHE HA 1 22 ILE HB . . 3.400 3.303 3.165 3.396 . 0 0 "[ . 1 . 2]" 2
73 1 19 PHE HA 1 22 ILE MG . . 4.970 4.618 4.466 4.706 . 0 0 "[ . 1 . 2]" 2
74 1 19 PHE HB2 1 20 ALA H . . 3.640 2.748 2.593 2.869 . 0 0 "[ . 1 . 2]" 2
75 1 19 PHE H 1 19 PHE HB2 . . 3.740 2.239 2.201 2.328 . 0 0 "[ . 1 . 2]" 2
76 1 19 PHE H 1 19 PHE HB3 . . 3.680 3.526 3.500 3.571 . 0 0 "[ . 1 . 2]" 2
77 1 8 ILE MD 1 19 PHE HB3 . . 3.860 2.335 2.012 2.623 . 0 0 "[ . 1 . 2]" 2
78 1 8 ILE MD 1 19 PHE HB2 . . 3.870 2.090 1.909 2.378 . 0 0 "[ . 1 . 2]" 2
79 1 20 ALA HA 1 21 ALA HA . . 5.050 4.861 4.841 4.872 . 0 0 "[ . 1 . 2]" 2
80 1 20 ALA HA 1 21 ALA MB . . 5.040 5.000 4.996 5.007 . 0 0 "[ . 1 . 2]" 2
81 1 20 ALA HA 1 24 ILE MD . . 4.320 3.714 3.620 3.782 . 0 0 "[ . 1 . 2]" 2
82 1 8 ILE MD 1 20 ALA HA . . 3.620 3.421 2.999 3.672 0.052 12 0 "[ . 1 . 2]" 2
83 1 20 ALA MB 1 22 ILE H . . 4.580 4.581 4.540 4.610 0.030 19 0 "[ . 1 . 2]" 2
84 1 17 GLU HG3 1 20 ALA MB . . 5.500 5.114 4.138 5.461 . 0 0 "[ . 1 . 2]" 2
85 1 20 ALA MB 1 24 ILE MD . . 3.350 2.489 2.342 2.643 . 0 0 "[ . 1 . 2]" 2
86 1 20 ALA MB 1 37 VAL MG2 . . 3.830 3.245 2.963 3.417 . 0 0 "[ . 1 . 2]" 2
87 1 8 ILE MD 1 20 ALA MB . . 3.440 3.071 2.797 3.452 0.012 19 0 "[ . 1 . 2]" 2
88 1 21 ALA HA 1 24 ILE H . . 3.990 3.798 3.711 3.859 . 0 0 "[ . 1 . 2]" 2
89 1 21 ALA HA 1 22 ILE HG13 . . 5.340 5.172 5.148 5.215 . 0 0 "[ . 1 . 2]" 2
90 1 20 ALA MB 1 21 ALA HA . . 4.290 3.665 3.646 3.681 . 0 0 "[ . 1 . 2]" 2
91 1 21 ALA MB 1 22 ILE HA . . 3.950 3.718 3.686 3.772 . 0 0 "[ . 1 . 2]" 2
92 1 21 ALA MB 1 24 ILE MD . . 3.420 3.317 3.270 3.403 . 0 0 "[ . 1 . 2]" 2
93 1 22 ILE HA 1 26 VAL H . . 4.530 4.326 4.296 4.367 . 0 0 "[ . 1 . 2]" 2
94 1 22 ILE HA 1 25 LYS HB3 . . 4.860 4.676 4.642 4.695 . 0 0 "[ . 1 . 2]" 2
95 1 22 ILE MG 1 23 LEU HA . . 3.950 3.534 3.510 3.568 . 0 0 "[ . 1 . 2]" 2
96 1 22 ILE MG 1 26 VAL HB . . 4.510 4.481 4.450 4.518 0.008 14 0 "[ . 1 . 2]" 2
97 1 22 ILE HG12 1 22 ILE MG . . 3.140 2.072 2.017 2.131 . 0 0 "[ . 1 . 2]" 2
98 1 19 PHE QD 1 22 ILE MD . . 4.370 3.492 2.833 3.766 . 0 0 "[ . 1 . 2]" 2
99 1 22 ILE HA 1 22 ILE MD . . 3.980 3.877 3.865 3.880 . 0 0 "[ . 1 . 2]" 2
100 1 21 ALA MB 1 22 ILE MD . . 4.550 3.956 3.799 4.056 . 0 0 "[ . 1 . 2]" 2
101 1 22 ILE MD 1 22 ILE MG . . 2.890 2.499 2.440 2.601 . 0 0 "[ . 1 . 2]" 2
102 1 23 LEU HA 1 27 PHE H . . 3.990 4.037 4.013 4.060 0.070 12 0 "[ . 1 . 2]" 2
103 1 23 LEU HA 1 26 VAL H . . 4.060 3.440 3.416 3.464 . 0 0 "[ . 1 . 2]" 2
104 1 23 LEU HA 1 46 VAL MG2 . . 5.500 5.518 5.442 5.547 0.047 6 0 "[ . 1 . 2]" 2
105 1 23 LEU HB2 1 24 ILE H . . 4.260 3.061 2.996 3.103 . 0 0 "[ . 1 . 2]" 2
106 1 20 ALA HA 1 23 LEU HB2 . . 4.040 2.487 2.398 2.635 . 0 0 "[ . 1 . 2]" 2
107 1 20 ALA HA 1 23 LEU HB3 . . 5.440 3.637 3.565 3.775 . 0 0 "[ . 1 . 2]" 2
108 1 23 LEU HB3 1 46 VAL MG2 . . 3.960 3.184 3.117 3.228 . 0 0 "[ . 1 . 2]" 2
109 1 23 LEU HB2 1 46 VAL MG2 . . 4.420 4.401 4.346 4.429 0.009 16 0 "[ . 1 . 2]" 2
110 1 23 LEU H 1 23 LEU HG . . 4.430 4.179 4.118 4.233 . 0 0 "[ . 1 . 2]" 2
111 1 6 ILE MG 1 23 LEU HG . . 4.170 3.180 2.831 3.451 . 0 0 "[ . 1 . 2]" 2
112 1 23 LEU HA 1 23 LEU MD1 . . 4.120 2.120 2.022 2.268 . 0 0 "[ . 1 . 2]" 2
113 1 23 LEU HB3 1 23 LEU MD1 . . 3.640 2.372 2.298 2.398 . 0 0 "[ . 1 . 2]" 2
114 1 23 LEU H 1 23 LEU MD2 . . 4.550 2.696 2.572 2.769 . 0 0 "[ . 1 . 2]" 2
115 1 23 LEU HB3 1 23 LEU MD2 . . 3.640 3.195 3.191 3.197 . 0 0 "[ . 1 . 2]" 2
116 1 24 ILE HA 1 25 LYS H . . 3.560 3.543 3.540 3.548 . 0 0 "[ . 1 . 2]" 2
117 1 21 ALA MB 1 22 ILE HB . . 5.260 4.627 4.587 4.669 . 0 0 "[ . 1 . 2]" 2
118 1 21 ALA MB 1 24 ILE HB . . 5.500 4.459 4.359 4.534 . 0 0 "[ . 1 . 2]" 2
119 1 24 ILE H 1 24 ILE HG12 . . 4.000 3.680 3.645 3.706 . 0 0 "[ . 1 . 2]" 2
120 1 24 ILE HG12 1 35 ILE MG . . 4.210 2.561 2.183 2.807 . 0 0 "[ . 1 . 2]" 2
121 1 24 ILE HA 1 24 ILE HG13 . . 2.880 2.619 2.601 2.641 . 0 0 "[ . 1 . 2]" 2
122 1 24 ILE H 1 24 ILE MG . . 4.060 3.762 3.759 3.764 . 0 0 "[ . 1 . 2]" 2
123 1 24 ILE MG 1 28 ALA H . . 5.080 3.958 3.856 4.072 . 0 0 "[ . 1 . 2]" 2
124 1 24 ILE MG 1 35 ILE H . . 5.340 4.498 3.980 4.824 . 0 0 "[ . 1 . 2]" 2
125 1 21 ALA HA 1 24 ILE MG . . 4.770 4.359 4.277 4.462 . 0 0 "[ . 1 . 2]" 2
126 1 24 ILE MG 1 35 ILE HB . . 4.030 3.512 3.256 3.789 . 0 0 "[ . 1 . 2]" 2
127 1 24 ILE MD 1 24 ILE MG . . 2.700 2.506 2.484 2.546 . 0 0 "[ . 1 . 2]" 2
128 1 24 ILE MG 1 35 ILE MG . . 3.540 3.225 2.802 3.420 . 0 0 "[ . 1 . 2]" 2
129 1 21 ALA H 1 24 ILE MD . . 3.640 3.452 3.392 3.522 . 0 0 "[ . 1 . 2]" 2
130 1 24 ILE HA 1 24 ILE MD . . 4.060 3.861 3.851 3.869 . 0 0 "[ . 1 . 2]" 2
131 1 24 ILE MG 1 25 LYS HA . . 3.910 3.454 3.359 3.555 . 0 0 "[ . 1 . 2]" 2
132 1 25 LYS HB3 1 25 LYS QD . . 3.280 2.275 2.149 2.292 . 0 0 "[ . 1 . 2]" 2
133 1 25 LYS HB2 1 26 VAL MG2 . . 3.340 3.043 3.000 3.052 . 0 0 "[ . 1 . 2]" 2
134 1 25 LYS HB3 1 26 VAL MG2 . . 4.250 4.110 4.093 4.147 . 0 0 "[ . 1 . 2]" 2
135 1 25 LYS HG2 1 26 VAL H . . 4.490 4.269 4.132 4.284 . 0 0 "[ . 1 . 2]" 2
136 1 25 LYS HG3 1 26 VAL H . . 4.780 4.580 4.563 4.725 . 0 0 "[ . 1 . 2]" 2
137 1 25 LYS H 1 25 LYS HG3 . . 3.250 3.165 3.147 3.332 0.082 14 0 "[ . 1 . 2]" 2
138 1 22 ILE HG13 1 22 ILE MG . . 3.610 3.128 3.096 3.144 . 0 0 "[ . 1 . 2]" 2
139 1 22 ILE HA 1 25 LYS QE . . 5.500 5.490 5.101 5.516 0.016 19 0 "[ . 1 . 2]" 2
140 1 24 ILE HA 1 25 LYS QE . . 5.500 5.462 4.725 5.506 0.006 5 0 "[ . 1 . 2]" 2
141 1 25 LYS HB3 1 25 LYS QE . . 4.630 2.444 2.357 3.312 . 0 0 "[ . 1 . 2]" 2
142 1 25 LYS QE 1 26 VAL MG2 . . 5.500 5.514 5.504 5.630 0.130 14 0 "[ . 1 . 2]" 2
143 1 26 VAL HA 1 27 PHE HA . . 4.810 4.760 4.748 4.777 . 0 0 "[ . 1 . 2]" 2
144 1 25 LYS HB2 1 26 VAL HA . . 4.680 4.207 4.186 4.215 . 0 0 "[ . 1 . 2]" 2
145 1 26 VAL HA 1 26 VAL MG2 . . 3.440 2.430 2.420 2.459 . 0 0 "[ . 1 . 2]" 2
146 1 23 LEU HA 1 26 VAL HB . . 3.600 2.905 2.869 2.928 . 0 0 "[ . 1 . 2]" 2
147 1 25 LYS H 1 26 VAL MG2 . . 4.660 3.949 3.893 3.972 . 0 0 "[ . 1 . 2]" 2
148 1 22 ILE HB 1 26 VAL MG2 . . 5.240 4.156 4.078 4.203 . 0 0 "[ . 1 . 2]" 2
149 1 23 LEU HG 1 26 VAL MG2 . . 5.500 5.501 5.417 5.516 0.016 11 0 "[ . 1 . 2]" 2
150 1 25 LYS QD 1 26 VAL MG2 . . 5.500 5.515 5.503 5.523 0.023 16 0 "[ . 1 . 2]" 2
151 1 22 ILE MG 1 26 VAL MG2 . . 2.540 2.361 2.330 2.378 . 0 0 "[ . 1 . 2]" 2
152 1 26 VAL MG1 1 30 LEU HB3 . . 5.290 4.945 4.809 5.163 . 0 0 "[ . 1 . 2]" 2
153 1 26 VAL MG1 1 30 LEU HB2 . . 4.430 4.128 4.005 4.351 . 0 0 "[ . 1 . 2]" 2
154 1 26 VAL MG1 1 30 LEU HG . . 4.780 2.948 2.651 3.585 . 0 0 "[ . 1 . 2]" 2
155 1 27 PHE HA 1 30 LEU H . . 4.830 3.447 3.411 3.485 . 0 0 "[ . 1 . 2]" 2
156 1 27 PHE HA 1 27 PHE QD . . 3.780 2.262 2.153 2.334 . 0 0 "[ . 1 . 2]" 2
157 1 27 PHE HA 1 32 TYR HB2 . . 3.980 2.721 2.700 2.775 . 0 0 "[ . 1 . 2]" 2
158 1 27 PHE HA 1 30 LEU MD1 . . 5.440 2.449 2.159 2.785 . 0 0 "[ . 1 . 2]" 2
159 1 24 ILE HA 1 27 PHE HB2 . . 4.020 2.726 2.664 2.757 . 0 0 "[ . 1 . 2]" 2
160 1 28 ALA H 1 28 ALA MB . . 3.380 2.217 2.061 2.237 . 0 0 "[ . 1 . 2]" 2
161 1 28 ALA MB 1 30 LEU H . . 4.300 4.187 4.184 4.193 . 0 0 "[ . 1 . 2]" 2
162 1 28 ALA MB 1 29 GLU HA . . 3.910 3.806 3.702 3.820 . 0 0 "[ . 1 . 2]" 2
163 1 24 ILE HA 1 28 ALA MB . . 5.470 4.509 4.334 4.647 . 0 0 "[ . 1 . 2]" 2
164 1 28 ALA MB 1 29 GLU HG2 . . 5.500 5.173 4.259 5.299 . 0 0 "[ . 1 . 2]" 2
165 1 28 ALA MB 1 29 GLU HB2 . . 5.500 4.968 4.916 5.102 . 0 0 "[ . 1 . 2]" 2
166 1 28 ALA MB 1 29 GLU HG3 . . 5.500 4.935 4.885 5.210 . 0 0 "[ . 1 . 2]" 2
167 1 28 ALA MB 1 29 GLU HB3 . . 4.710 3.793 3.771 3.869 . 0 0 "[ . 1 . 2]" 2
168 1 25 LYS HB3 1 28 ALA MB . . 4.820 4.476 4.371 4.582 . 0 0 "[ . 1 . 2]" 2
169 1 28 ALA MB 1 35 ILE MD . . 4.530 4.519 4.440 4.549 0.019 10 0 "[ . 1 . 2]" 2
170 1 18 LYS HA 1 21 ALA H . . 4.440 3.840 3.690 4.064 . 0 0 "[ . 1 . 2]" 2
171 1 29 GLU H 1 29 GLU HB2 . . 3.940 3.552 3.534 3.598 . 0 0 "[ . 1 . 2]" 2
172 1 29 GLU HB2 1 30 LEU H . . 5.500 4.279 4.141 4.302 . 0 0 "[ . 1 . 2]" 2
173 1 26 VAL HA 1 29 GLU HB2 . . 5.010 4.867 4.804 4.966 . 0 0 "[ . 1 . 2]" 2
174 1 26 VAL HA 1 29 GLU HB3 . . 4.320 3.725 3.582 4.042 . 0 0 "[ . 1 . 2]" 2
175 1 29 GLU H 1 29 GLU HG3 . . 3.910 2.840 2.789 3.166 . 0 0 "[ . 1 . 2]" 2
176 1 29 GLU HG2 1 30 LEU H . . 4.050 4.007 3.196 4.075 0.025 12 0 "[ . 1 . 2]" 2
177 1 26 VAL HA 1 29 GLU HG2 . . 4.150 2.380 1.988 2.534 . 0 0 "[ . 1 . 2]" 2
178 1 30 LEU HA 1 30 LEU HG . . 3.250 2.741 2.462 2.915 . 0 0 "[ . 1 . 2]" 2
179 1 30 LEU H 1 30 LEU HB2 . . 3.380 2.291 2.217 2.364 . 0 0 "[ . 1 . 2]" 2
180 1 30 LEU HB3 1 32 TYR QE . . 3.480 2.113 1.998 2.363 . 0 0 "[ . 1 . 2]" 2
181 1 27 PHE HA 1 30 LEU HB3 . . 4.360 3.986 3.855 4.061 . 0 0 "[ . 1 . 2]" 2
182 1 30 LEU H 1 30 LEU HG . . 4.040 3.007 2.832 3.346 . 0 0 "[ . 1 . 2]" 2
183 1 30 LEU MD2 1 32 TYR QD . . 4.560 4.055 3.785 4.191 . 0 0 "[ . 1 . 2]" 2
184 1 30 LEU HA 1 30 LEU MD2 . . 4.630 2.302 2.118 2.516 . 0 0 "[ . 1 . 2]" 2
185 1 27 PHE HA 1 30 LEU MD2 . . 5.440 4.811 4.716 4.916 . 0 0 "[ . 1 . 2]" 2
186 1 30 LEU HB3 1 30 LEU MD2 . . 3.570 2.181 2.057 2.286 . 0 0 "[ . 1 . 2]" 2
187 1 30 LEU HB2 1 30 LEU MD2 . . 3.640 3.159 3.126 3.187 . 0 0 "[ . 1 . 2]" 2
188 1 32 TYR HA 1 50 LEU MD2 . . 5.290 3.822 1.985 5.293 0.003 17 0 "[ . 1 . 2]" 2
189 1 32 TYR H 1 32 TYR HB3 . . 3.930 3.631 3.624 3.641 . 0 0 "[ . 1 . 2]" 2
190 1 28 ALA HA 1 33 ASN QB . . 3.600 3.480 2.949 3.627 0.027 12 0 "[ . 1 . 2]" 2
191 1 33 ASN QB 1 34 ASP HB2 . . 3.630 3.395 3.168 3.814 0.184 17 0 "[ . 1 . 2]" 2
192 1 34 ASP HA 1 35 ILE H . . 3.370 2.556 2.500 2.600 . 0 0 "[ . 1 . 2]" 2
193 1 34 ASP HA 1 35 ILE HB . . 5.070 4.759 4.713 4.804 . 0 0 "[ . 1 . 2]" 2
194 1 34 ASP HB3 1 49 GLN H . . 4.990 4.720 4.434 4.986 . 0 0 "[ . 1 . 2]" 2
195 1 34 ASP H 1 34 ASP HB3 . . 4.100 3.857 3.835 3.878 . 0 0 "[ . 1 . 2]" 2
196 1 34 ASP HB2 1 35 ILE H . . 4.570 4.641 4.625 4.657 0.087 11 0 "[ . 1 . 2]" 2
197 1 34 ASP HB3 1 49 GLN HE22 . . 3.730 2.340 2.136 3.618 . 0 0 "[ . 1 . 2]" 2
198 1 34 ASP HB2 1 49 GLN HE22 . . 3.860 3.865 3.794 3.891 0.031 19 0 "[ . 1 . 2]" 2
199 1 34 ASP HB3 1 49 GLN QG . . 4.170 3.951 2.988 4.090 . 0 0 "[ . 1 . 2]" 2
200 1 34 ASP HB2 1 49 GLN QG . . 5.130 5.090 4.379 5.168 0.038 19 0 "[ . 1 . 2]" 2
201 1 35 ILE HA 1 36 ASN H . . 3.130 2.263 2.234 2.268 . 0 0 "[ . 1 . 2]" 2
202 1 35 ILE HB 1 36 ASN H . . 4.490 4.217 4.207 4.264 . 0 0 "[ . 1 . 2]" 2
203 1 35 ILE HG13 1 36 ASN H . . 3.210 2.663 2.624 2.757 . 0 0 "[ . 1 . 2]" 2
204 1 35 ILE H 1 35 ILE HG13 . . 4.300 4.347 4.330 4.364 0.064 17 0 "[ . 1 . 2]" 2
205 1 35 ILE H 1 35 ILE HG12 . . 4.650 4.664 4.646 4.689 0.039 11 0 "[ . 1 . 2]" 2
206 1 27 PHE HB3 1 35 ILE HG12 . . 4.610 3.833 3.722 4.062 . 0 0 "[ . 1 . 2]" 2
207 1 27 PHE HB3 1 35 ILE HG13 . . 5.060 4.623 4.565 4.744 . 0 0 "[ . 1 . 2]" 2
208 1 35 ILE HG12 1 46 VAL MG2 . . 4.690 2.139 1.976 2.250 . 0 0 "[ . 1 . 2]" 2
209 1 27 PHE QD 1 35 ILE MG . . 4.830 4.143 3.957 4.255 . 0 0 "[ . 1 . 2]" 2
210 1 35 ILE MD 1 49 GLN H . . 4.250 3.172 3.021 3.327 . 0 0 "[ . 1 . 2]" 2
211 1 24 ILE HA 1 35 ILE MD . . 4.560 3.873 3.661 4.045 . 0 0 "[ . 1 . 2]" 2
212 1 27 PHE HB3 1 35 ILE MD . . 3.890 1.909 1.883 2.048 . 0 0 "[ . 1 . 2]" 2
213 1 36 ASN HA 1 37 VAL HA . . 4.400 4.388 4.381 4.392 . 0 0 "[ . 1 . 2]" 2
214 1 36 ASN QB 1 36 ASN HD22 . . 3.340 3.238 3.232 3.243 . 0 0 "[ . 1 . 2]" 2
215 1 35 ILE HA 1 36 ASN QB . . 4.200 4.061 4.021 4.108 . 0 0 "[ . 1 . 2]" 2
216 1 36 ASN QB 1 47 GLU HB2 . . 4.490 3.070 2.774 3.594 . 0 0 "[ . 1 . 2]" 2
217 1 35 ILE MG 1 36 ASN QB . . 4.510 4.145 4.107 4.181 . 0 0 "[ . 1 . 2]" 2
218 1 37 VAL HA 1 46 VAL HA . . 3.660 2.329 2.175 2.376 . 0 0 "[ . 1 . 2]" 2
219 1 37 VAL HB 1 38 THR H . . 4.300 4.163 4.105 4.183 . 0 0 "[ . 1 . 2]" 2
220 1 36 ASN HA 1 37 VAL HB . . 4.500 4.500 4.478 4.514 0.014 6 0 "[ . 1 . 2]" 2
221 1 36 ASN HA 1 37 VAL MG2 . . 5.450 5.448 5.442 5.451 0.001 20 0 "[ . 1 . 2]" 2
222 1 37 VAL MG2 1 46 VAL HA . . 4.550 3.159 2.980 3.352 . 0 0 "[ . 1 . 2]" 2
223 1 36 ASN QB 1 37 VAL MG2 . . 5.500 5.544 5.505 5.558 0.058 14 0 "[ . 1 . 2]" 2
224 1 36 ASN HA 1 37 VAL MG1 . . 3.960 3.813 3.768 3.838 . 0 0 "[ . 1 . 2]" 2
225 1 37 VAL MG1 1 46 VAL HA . . 5.300 4.819 4.656 4.905 . 0 0 "[ . 1 . 2]" 2
226 1 20 ALA MB 1 37 VAL MG1 . . 4.440 4.406 4.016 4.456 0.016 12 0 "[ . 1 . 2]" 2
227 1 38 THR HB 1 45 THR HB . . 4.790 4.764 4.529 4.797 0.007 8 0 "[ . 1 . 2]" 2
228 1 37 VAL MG2 1 38 THR HB . . 5.450 5.225 5.166 5.275 . 0 0 "[ . 1 . 2]" 2
229 1 36 ASN HA 1 38 THR MG . . 5.110 5.043 4.847 5.133 0.023 6 0 "[ . 1 . 2]" 2
230 1 37 VAL HA 1 38 THR MG . . 4.810 3.887 3.568 4.001 . 0 0 "[ . 1 . 2]" 2
231 1 38 THR MG 1 45 THR HB . . 5.020 4.901 4.489 5.027 0.007 6 0 "[ . 1 . 2]" 2
232 1 36 ASN QB 1 38 THR MG . . 5.240 3.381 3.216 3.516 . 0 0 "[ . 1 . 2]" 2
233 1 39 TRP HA 1 40 ASP HA . . 5.020 4.421 4.393 4.440 . 0 0 "[ . 1 . 2]" 2
234 1 39 TRP HA 1 39 TRP HB3 . . 2.980 2.410 2.366 2.465 . 0 0 "[ . 1 . 2]" 2
235 1 39 TRP HA 1 39 TRP HB2 . . 2.980 2.530 2.442 3.027 0.047 6 0 "[ . 1 . 2]" 2
236 1 40 ASP H 1 40 ASP HB3 . . 4.000 3.353 2.798 3.895 . 0 0 "[ . 1 . 2]" 2
237 1 42 ASP H 1 42 ASP HB2 . . 4.140 2.973 2.736 3.288 . 0 0 "[ . 1 . 2]" 2
238 1 13 LYS HA 1 14 LYS QE . . 5.500 5.247 4.938 5.500 . 0 0 "[ . 1 . 2]" 2
239 1 10 ALA H 1 43 THR HA . . 4.470 4.329 3.463 4.508 0.038 10 0 "[ . 1 . 2]" 2
240 1 9 THR HA 1 43 THR MG . . 3.650 2.619 1.900 3.361 . 0 0 "[ . 1 . 2]" 2
241 1 44 VAL MG1 1 45 THR H . . 4.920 3.763 2.516 4.058 . 0 0 "[ . 1 . 2]" 2
242 1 43 THR MG 1 44 VAL H . . 3.700 2.717 2.506 3.220 . 0 0 "[ . 1 . 2]" 2
243 1 7 SER HA 1 43 THR MG . . 4.590 4.458 3.829 4.554 . 0 0 "[ . 1 . 2]" 2
244 1 9 THR HB 1 43 THR MG . . 5.500 4.337 3.939 4.732 . 0 0 "[ . 1 . 2]" 2
245 1 16 ALA HA 1 44 VAL MG1 . . 5.500 4.401 3.048 5.389 . 0 0 "[ . 1 . 2]" 2
246 1 44 VAL MG2 1 45 THR H . . 4.920 3.329 2.225 4.119 . 0 0 "[ . 1 . 2]" 2
247 1 45 THR HA 1 46 VAL HB . . 4.950 4.437 4.346 4.527 . 0 0 "[ . 1 . 2]" 2
248 1 44 VAL HA 1 45 THR HB . . 4.870 4.713 4.541 4.809 . 0 0 "[ . 1 . 2]" 2
249 1 7 SER H 1 45 THR MG . . 4.390 3.393 3.175 4.206 . 0 0 "[ . 1 . 2]" 2
250 1 45 THR H 1 45 THR MG . . 4.090 3.933 3.904 3.952 . 0 0 "[ . 1 . 2]" 2
251 1 45 THR MG 1 47 GLU H . . 4.810 4.724 4.398 4.822 0.012 6 0 "[ . 1 . 2]" 2
252 1 45 THR MG 1 47 GLU HA . . 5.240 4.388 4.255 4.442 . 0 0 "[ . 1 . 2]" 2
253 1 5 ARG QD 1 45 THR MG . . 4.260 2.393 1.904 3.226 . 0 0 "[ . 1 . 2]" 2
254 1 5 ARG QB 1 45 THR MG . . 4.480 3.695 3.621 3.943 . 0 0 "[ . 1 . 2]" 2
255 1 46 VAL HB 1 47 GLU H . . 4.890 4.177 4.152 4.209 . 0 0 "[ . 1 . 2]" 2
256 1 27 PHE QE 1 46 VAL HB . . 5.120 4.274 4.101 4.484 . 0 0 "[ . 1 . 2]" 2
257 1 20 ALA MB 1 46 VAL HB . . 4.090 4.107 4.087 4.121 0.031 2 0 "[ . 1 . 2]" 2
258 1 6 ILE MD 1 46 VAL HB . . 5.340 5.356 5.332 5.402 0.062 12 0 "[ . 1 . 2]" 2
259 1 36 ASN H 1 46 VAL MG2 . . 4.750 3.558 3.296 3.655 . 0 0 "[ . 1 . 2]" 2
260 1 24 ILE HA 1 46 VAL MG2 . . 4.500 3.917 3.681 4.016 . 0 0 "[ . 1 . 2]" 2
261 1 35 ILE HG13 1 46 VAL MG2 . . 4.330 2.633 2.496 2.733 . 0 0 "[ . 1 . 2]" 2
262 1 46 VAL MG1 1 47 GLU H . . 3.710 3.714 3.674 3.738 0.028 6 0 "[ . 1 . 2]" 2
263 1 45 THR HA 1 46 VAL MG1 . . 4.550 3.944 3.868 4.022 . 0 0 "[ . 1 . 2]" 2
264 1 5 ARG HA 1 46 VAL MG1 . . 3.720 3.364 3.243 3.459 . 0 0 "[ . 1 . 2]" 2
265 1 46 VAL HA 1 46 VAL MG1 . . 3.720 3.191 3.186 3.199 . 0 0 "[ . 1 . 2]" 2
266 1 20 ALA HA 1 46 VAL MG1 . . 4.770 4.757 4.658 4.787 0.017 10 0 "[ . 1 . 2]" 2
267 1 6 ILE HG13 1 46 VAL MG1 . . 3.920 3.063 2.871 3.220 . 0 0 "[ . 1 . 2]" 2
268 1 23 LEU HB3 1 46 VAL MG1 . . 4.130 3.134 3.004 3.269 . 0 0 "[ . 1 . 2]" 2
269 1 37 VAL HB 1 46 VAL HA . . 4.460 3.658 3.410 3.831 . 0 0 "[ . 1 . 2]" 2
270 1 36 ASN QB 1 47 GLU HB3 . . 4.490 3.599 3.152 4.266 . 0 0 "[ . 1 . 2]" 2
271 1 47 GLU H 1 47 GLU HG2 . . 4.870 4.390 4.201 4.642 . 0 0 "[ . 1 . 2]" 2
272 1 47 GLU H 1 47 GLU HG3 . . 4.870 3.597 3.153 4.254 . 0 0 "[ . 1 . 2]" 2
273 1 35 ILE MD 1 48 GLY HA3 . . 4.300 2.077 1.938 2.313 . 0 0 "[ . 1 . 2]" 2
274 1 32 TYR QD 1 49 GLN HA . . 4.380 3.548 3.166 4.150 . 0 0 "[ . 1 . 2]" 2
275 1 49 GLN H 1 49 GLN HB3 . . 3.770 3.093 2.904 3.278 . 0 0 "[ . 1 . 2]" 2
276 1 49 GLN HB3 1 50 LEU H . . 5.500 4.037 3.881 4.126 . 0 0 "[ . 1 . 2]" 2
277 1 49 GLN QG 1 50 LEU H . . 4.780 3.718 3.346 4.531 . 0 0 "[ . 1 . 2]" 2
278 1 50 LEU HG 1 51 GLU H . . 5.500 3.586 2.371 4.922 . 0 0 "[ . 1 . 2]" 2
279 1 32 TYR QD 1 50 LEU MD1 . . 4.950 3.658 2.667 4.835 . 0 0 "[ . 1 . 2]" 2
280 1 50 LEU HA 1 50 LEU MD1 . . 4.160 2.796 1.962 3.797 . 0 0 "[ . 1 . 2]" 2
281 1 50 LEU MD2 1 51 GLU H . . 4.200 3.036 1.838 4.192 . 0 0 "[ . 1 . 2]" 2
282 1 50 LEU MD2 1 51 GLU QG . . 5.500 4.222 2.846 5.529 0.029 10 0 "[ . 1 . 2]" 2
283 1 51 GLU H 1 51 GLU HB3 . . 3.790 3.086 2.372 3.225 . 0 0 "[ . 1 . 2]" 2
284 1 50 LEU MD1 1 51 GLU QG . . 5.500 4.047 2.907 5.374 . 0 0 "[ . 1 . 2]" 2
285 1 54 SER HB3 1 55 LEU H . . 4.430 3.155 2.332 3.909 . 0 0 "[ . 1 . 2]" 2
286 1 54 SER HB2 1 55 LEU HA . . 5.270 4.742 4.255 5.444 0.174 15 0 "[ . 1 . 2]" 2
287 1 54 SER HB3 1 55 LEU HA . . 5.270 4.995 4.212 5.519 0.249 15 0 "[ . 1 . 2]" 2
288 1 54 SER HB2 1 56 GLU HA . . 5.500 5.352 4.807 5.617 0.117 15 0 "[ . 1 . 2]" 2
289 1 54 SER HB3 1 56 GLU HA . . 5.500 4.967 3.375 5.651 0.151 15 0 "[ . 1 . 2]" 2
290 1 55 LEU H 1 55 LEU HG . . 5.020 4.408 4.007 4.974 . 0 0 "[ . 1 . 2]" 2
291 1 56 GLU HA 1 56 GLU HG2 . . 4.200 3.627 3.332 3.858 . 0 0 "[ . 1 . 2]" 2
292 1 56 GLU H 1 56 GLU HG3 . . 4.550 4.152 3.442 4.813 0.263 20 0 "[ . 1 . 2]" 2
293 1 57 HIS HA 1 57 HIS HB2 . . 3.000 2.727 2.363 2.891 . 0 0 "[ . 1 . 2]" 2
294 1 57 HIS HA 1 57 HIS HB3 . . 3.000 2.842 2.414 3.010 0.010 15 0 "[ . 1 . 2]" 2
295 1 35 ILE MD 1 35 ILE MG . . 3.440 3.171 3.156 3.181 . 0 0 "[ . 1 . 2]" 2
296 1 37 VAL MG1 1 38 THR MG . . 4.190 4.166 4.061 4.196 0.006 12 0 "[ . 1 . 2]" 2
297 1 3 ARG H 1 3 ARG QD . . 4.880 4.172 3.832 4.555 . 0 0 "[ . 1 . 2]" 2
298 1 3 ARG H 1 3 ARG HB3 . . 3.990 2.496 2.370 2.814 . 0 0 "[ . 1 . 2]" 2
299 1 3 ARG H 1 3 ARG HB2 . . 3.990 2.906 2.504 3.386 . 0 0 "[ . 1 . 2]" 2
300 1 3 ARG HG2 1 4 VAL H . . 4.400 2.440 2.017 4.416 0.016 20 0 "[ . 1 . 2]" 2
301 1 5 ARG H 1 5 ARG QD . . 5.500 4.564 4.014 5.186 . 0 0 "[ . 1 . 2]" 2
302 1 6 ILE H 1 6 ILE HB . . 3.880 2.700 2.634 2.789 . 0 0 "[ . 1 . 2]" 2
303 1 6 ILE H 1 6 ILE MG . . 4.030 3.876 3.850 3.912 . 0 0 "[ . 1 . 2]" 2
304 1 7 SER H 1 7 SER HB3 . . 3.970 3.577 2.448 3.727 . 0 0 "[ . 1 . 2]" 2
305 1 7 SER H 1 7 SER HB2 . . 3.970 3.195 3.049 3.438 . 0 0 "[ . 1 . 2]" 2
306 1 8 ILE H 1 8 ILE HG12 . . 4.200 2.330 2.055 3.991 . 0 0 "[ . 1 . 2]" 2
307 1 9 THR H 1 9 THR MG . . 4.310 3.822 3.637 3.878 . 0 0 "[ . 1 . 2]" 2
308 1 10 ALA H 1 10 ALA MB . . 3.590 2.330 2.224 2.622 . 0 0 "[ . 1 . 2]" 2
309 1 11 ARG H 1 11 ARG QB . . 3.260 2.369 2.155 2.690 . 0 0 "[ . 1 . 2]" 2
310 1 11 ARG H 1 11 ARG QG . . 4.010 3.099 1.917 3.981 . 0 0 "[ . 1 . 2]" 2
311 1 12 THR H 1 12 THR MG . . 3.960 2.077 1.910 2.215 . 0 0 "[ . 1 . 2]" 2
312 1 13 LYS H 1 13 LYS QG . . 4.420 1.950 1.923 1.996 . 0 0 "[ . 1 . 2]" 2
313 1 14 LYS H 1 14 LYS HG3 . . 4.630 3.811 3.361 4.179 . 0 0 "[ . 1 . 2]" 2
314 1 15 GLU H 1 15 GLU QG . . 3.730 3.012 2.698 3.720 . 0 0 "[ . 1 . 2]" 2
315 1 15 GLU H 1 15 GLU HB2 . . 3.200 2.172 2.074 2.256 . 0 0 "[ . 1 . 2]" 2
316 1 16 ALA H 1 16 ALA MB . . 3.200 2.054 2.025 2.227 . 0 0 "[ . 1 . 2]" 2
317 1 17 GLU H 1 17 GLU HG2 . . 4.050 3.428 2.990 3.986 . 0 0 "[ . 1 . 2]" 2
318 1 17 GLU H 1 17 GLU HB2 . . 3.920 2.296 2.072 3.465 . 0 0 "[ . 1 . 2]" 2
319 1 17 GLU H 1 17 GLU HB3 . . 3.920 3.331 2.144 3.539 . 0 0 "[ . 1 . 2]" 2
320 1 18 LYS H 1 18 LYS QB . . 3.150 2.451 2.353 2.520 . 0 0 "[ . 1 . 2]" 2
321 1 18 LYS H 1 18 LYS HG2 . . 4.750 2.320 2.124 2.585 . 0 0 "[ . 1 . 2]" 2
322 1 20 ALA H 1 20 ALA MB . . 3.280 2.037 2.023 2.085 . 0 0 "[ . 1 . 2]" 2
323 1 21 ALA H 1 21 ALA MB . . 3.200 2.060 2.026 2.140 . 0 0 "[ . 1 . 2]" 2
324 1 22 ILE H 1 22 ILE HB . . 3.340 2.522 2.514 2.537 . 0 0 "[ . 1 . 2]" 2
325 1 22 ILE H 1 22 ILE HG13 . . 3.660 2.198 2.150 2.218 . 0 0 "[ . 1 . 2]" 2
326 1 22 ILE H 1 22 ILE HG12 . . 3.680 3.689 3.646 3.717 0.037 19 0 "[ . 1 . 2]" 2
327 1 23 LEU H 1 23 LEU HB2 . . 3.600 2.068 2.057 2.086 . 0 0 "[ . 1 . 2]" 2
328 1 23 LEU H 1 23 LEU HB3 . . 3.860 3.366 3.343 3.401 . 0 0 "[ . 1 . 2]" 2
329 1 22 ILE MG 1 23 LEU H . . 3.760 3.349 3.334 3.389 . 0 0 "[ . 1 . 2]" 2
330 1 23 LEU H 1 23 LEU MD1 . . 4.550 4.085 4.039 4.130 . 0 0 "[ . 1 . 2]" 2
331 1 24 ILE H 1 24 ILE HB . . 3.310 2.531 2.509 2.553 . 0 0 "[ . 1 . 2]" 2
332 1 24 ILE H 1 24 ILE HG13 . . 3.580 2.177 2.128 2.214 . 0 0 "[ . 1 . 2]" 2
333 1 24 ILE H 1 24 ILE MD . . 3.600 3.075 3.032 3.106 . 0 0 "[ . 1 . 2]" 2
334 1 25 LYS H 1 25 LYS HB2 . . 3.750 2.560 2.550 2.611 . 0 0 "[ . 1 . 2]" 2
335 1 25 LYS H 1 25 LYS HB3 . . 3.650 3.593 3.589 3.594 . 0 0 "[ . 1 . 2]" 2
336 1 25 LYS H 1 25 LYS QD . . 4.310 4.155 3.964 4.175 . 0 0 "[ . 1 . 2]" 2
337 1 25 LYS H 1 25 LYS HG2 . . 4.210 2.146 1.961 2.168 . 0 0 "[ . 1 . 2]" 2
338 1 26 VAL H 1 26 VAL HB . . 3.540 2.682 2.668 2.714 . 0 0 "[ . 1 . 2]" 2
339 1 26 VAL H 1 26 VAL MG2 . . 3.380 2.100 2.084 2.111 . 0 0 "[ . 1 . 2]" 2
340 1 27 PHE H 1 27 PHE QD . . 4.220 3.296 3.191 3.377 . 0 0 "[ . 1 . 2]" 2
341 1 27 PHE H 1 27 PHE HB2 . . 3.510 2.177 2.159 2.194 . 0 0 "[ . 1 . 2]" 2
342 1 27 PHE H 1 27 PHE HB3 . . 3.640 3.486 3.470 3.501 . 0 0 "[ . 1 . 2]" 2
343 1 29 GLU H 1 29 GLU HG2 . . 3.910 3.352 2.277 3.494 . 0 0 "[ . 1 . 2]" 2
344 1 29 GLU H 1 29 GLU HB3 . . 3.990 2.298 2.253 2.518 . 0 0 "[ . 1 . 2]" 2
345 1 30 LEU H 1 30 LEU HB3 . . 3.710 3.562 3.498 3.605 . 0 0 "[ . 1 . 2]" 2
346 1 30 LEU H 1 30 LEU MD2 . . 4.670 4.071 3.894 4.321 . 0 0 "[ . 1 . 2]" 2
347 1 30 LEU H 1 30 LEU MD1 . . 4.670 3.609 3.479 3.908 . 0 0 "[ . 1 . 2]" 2
348 1 32 TYR H 1 32 TYR QD . . 3.390 2.147 2.104 2.237 . 0 0 "[ . 1 . 2]" 2
349 1 32 TYR H 1 32 TYR QE . . 4.510 4.447 4.388 4.511 0.001 20 0 "[ . 1 . 2]" 2
350 1 32 TYR H 1 32 TYR HB2 . . 3.770 2.414 2.396 2.440 . 0 0 "[ . 1 . 2]" 2
351 1 33 ASN H 1 33 ASN QB . . 3.870 2.420 2.060 2.743 . 0 0 "[ . 1 . 2]" 2
352 1 33 ASN QB 1 34 ASP H . . 3.440 2.839 2.458 3.297 . 0 0 "[ . 1 . 2]" 2
353 1 34 ASP H 1 34 ASP HB2 . . 4.000 3.143 3.125 3.158 . 0 0 "[ . 1 . 2]" 2
354 1 35 ILE H 1 35 ILE HB . . 3.400 2.225 2.203 2.249 . 0 0 "[ . 1 . 2]" 2
355 1 35 ILE H 1 35 ILE MD . . 3.580 3.403 3.379 3.424 . 0 0 "[ . 1 . 2]" 2
356 1 35 ILE H 1 35 ILE MG . . 4.010 3.083 3.072 3.094 . 0 0 "[ . 1 . 2]" 2
357 1 36 ASN H 1 36 ASN QB . . 3.640 2.462 2.413 2.563 . 0 0 "[ . 1 . 2]" 2
358 1 37 VAL H 1 37 VAL HB . . 3.430 2.809 2.754 2.884 . 0 0 "[ . 1 . 2]" 2
359 1 37 VAL H 1 37 VAL MG2 . . 3.910 3.838 3.821 3.849 . 0 0 "[ . 1 . 2]" 2
360 1 37 VAL H 1 37 VAL MG1 . . 3.760 2.018 1.973 2.056 . 0 0 "[ . 1 . 2]" 2
361 1 38 THR H 1 38 THR HB . . 3.980 3.787 3.753 3.849 . 0 0 "[ . 1 . 2]" 2
362 1 38 THR H 1 38 THR MG . . 4.140 3.153 2.900 3.249 . 0 0 "[ . 1 . 2]" 2
363 1 39 TRP H 1 39 TRP HE3 . . 4.970 4.794 4.621 5.217 0.247 6 0 "[ . 1 . 2]" 2
364 1 39 TRP H 1 39 TRP HD1 . . 4.340 2.529 2.065 2.701 . 0 0 "[ . 1 . 2]" 2
365 1 39 TRP H 1 39 TRP HB2 . . 3.900 3.623 2.563 3.719 . 0 0 "[ . 1 . 2]" 2
366 1 39 TRP H 1 39 TRP HB3 . . 3.900 3.038 2.911 3.591 . 0 0 "[ . 1 . 2]" 2
367 1 40 ASP H 1 40 ASP HB2 . . 4.000 2.965 2.454 3.275 . 0 0 "[ . 1 . 2]" 2
368 1 42 ASP H 1 42 ASP HB3 . . 4.140 3.677 3.088 4.087 . 0 0 "[ . 1 . 2]" 2
369 1 43 THR H 1 43 THR MG . . 4.000 3.912 3.793 3.932 . 0 0 "[ . 1 . 2]" 2
370 1 45 THR H 1 45 THR HB . . 3.650 2.830 2.755 2.873 . 0 0 "[ . 1 . 2]" 2
371 1 46 VAL H 1 46 VAL HB . . 3.690 2.694 2.623 2.921 . 0 0 "[ . 1 . 2]" 2
372 1 46 VAL H 1 46 VAL MG1 . . 3.600 2.119 2.067 2.173 . 0 0 "[ . 1 . 2]" 2
373 1 46 VAL H 1 46 VAL MG2 . . 4.020 3.826 3.804 3.905 . 0 0 "[ . 1 . 2]" 2
374 1 47 GLU H 1 47 GLU HB2 . . 4.070 2.520 2.409 2.599 . 0 0 "[ . 1 . 2]" 2
375 1 49 GLN H 1 49 GLN QG . . 3.730 2.765 2.076 3.086 . 0 0 "[ . 1 . 2]" 2
376 1 49 GLN H 1 49 GLN HB2 . . 3.940 3.843 3.788 3.926 . 0 0 "[ . 1 . 2]" 2
377 1 50 LEU H 1 50 LEU HB2 . . 3.530 2.699 2.397 3.224 . 0 0 "[ . 1 . 2]" 2
378 1 50 LEU H 1 50 LEU HG . . 4.990 4.630 4.312 5.035 0.045 11 0 "[ . 1 . 2]" 2
379 1 50 LEU H 1 50 LEU MD1 . . 4.790 4.254 3.919 4.539 . 0 0 "[ . 1 . 2]" 2
380 1 51 GLU H 1 51 GLU QG . . 3.830 2.116 1.942 3.872 0.042 10 0 "[ . 1 . 2]" 2
381 1 55 LEU H 1 55 LEU HB2 . . 3.940 2.479 2.203 3.292 . 0 0 "[ . 1 . 2]" 2
382 1 56 GLU H 1 56 GLU HG2 . . 4.550 3.386 2.076 4.573 0.023 9 0 "[ . 1 . 2]" 2
383 1 56 GLU H 1 56 GLU HB2 . . 4.080 3.365 2.495 4.009 . 0 0 "[ . 1 . 2]" 2
384 1 56 GLU H 1 56 GLU HB3 . . 4.080 2.679 2.288 3.446 . 0 0 "[ . 1 . 2]" 2
385 1 3 ARG H 1 4 VAL H . . 4.790 4.501 4.312 4.565 . 0 0 "[ . 1 . 2]" 2
386 1 2 GLU HA 1 3 ARG H . . 3.050 2.490 2.169 2.923 . 0 0 "[ . 1 . 2]" 2
387 1 2 GLU QG 1 3 ARG H . . 3.970 3.665 3.352 3.984 0.014 10 0 "[ . 1 . 2]" 2
388 1 2 GLU HB2 1 3 ARG H . . 4.590 4.414 2.087 4.603 0.013 18 0 "[ . 1 . 2]" 2
389 1 3 ARG H 1 3 ARG HG2 . . 4.860 4.490 4.402 4.873 0.013 20 0 "[ . 1 . 2]" 2
390 1 4 VAL H 1 5 ARG H . . 4.560 4.298 4.226 4.417 . 0 0 "[ . 1 . 2]" 2
391 1 4 VAL H 1 48 GLY H . . 4.100 3.427 3.260 3.566 . 0 0 "[ . 1 . 2]" 2
392 1 4 VAL H 1 49 GLN HA . . 4.220 3.335 3.122 3.598 . 0 0 "[ . 1 . 2]" 2
393 1 3 ARG HA 1 4 VAL H . . 3.120 2.205 2.142 2.254 . 0 0 "[ . 1 . 2]" 2
394 1 3 ARG QD 1 4 VAL H . . 4.700 3.115 2.050 3.719 . 0 0 "[ . 1 . 2]" 2
395 1 5 ARG H 1 6 ILE HA . . 4.870 4.812 4.769 4.837 . 0 0 "[ . 1 . 2]" 2
396 1 4 VAL MG1 1 5 ARG H . . 4.430 2.517 2.342 2.745 . 0 0 "[ . 1 . 2]" 2
397 1 6 ILE H 1 46 VAL H . . 4.220 3.247 2.963 3.439 . 0 0 "[ . 1 . 2]" 2
398 1 6 ILE H 1 47 GLU HA . . 4.030 3.829 3.759 3.955 . 0 0 "[ . 1 . 2]" 2
399 1 6 ILE H 1 45 THR HA . . 5.080 4.803 4.523 4.951 . 0 0 "[ . 1 . 2]" 2
400 1 5 ARG HA 1 6 ILE H . . 3.240 2.149 2.139 2.162 . 0 0 "[ . 1 . 2]" 2
401 1 6 ILE H 1 46 VAL HB . . 4.670 4.601 4.551 4.645 . 0 0 "[ . 1 . 2]" 2
402 1 5 ARG QB 1 6 ILE H . . 4.000 3.774 3.720 3.837 . 0 0 "[ . 1 . 2]" 2
403 1 6 ILE H 1 45 THR MG . . 3.980 3.287 3.040 3.500 . 0 0 "[ . 1 . 2]" 2
404 1 7 SER H 1 8 ILE H . . 4.600 4.383 4.330 4.428 . 0 0 "[ . 1 . 2]" 2
405 1 6 ILE HA 1 7 SER H . . 3.210 2.148 2.145 2.165 . 0 0 "[ . 1 . 2]" 2
406 1 7 SER H 1 8 ILE HA . . 5.110 4.966 4.922 5.042 . 0 0 "[ . 1 . 2]" 2
407 1 6 ILE HB 1 7 SER H . . 4.240 4.154 4.014 4.216 . 0 0 "[ . 1 . 2]" 2
408 1 6 ILE MG 1 7 SER H . . 3.310 2.437 2.224 2.651 . 0 0 "[ . 1 . 2]" 2
409 1 8 ILE H 1 9 THR H . . 4.810 4.450 4.399 4.460 . 0 0 "[ . 1 . 2]" 2
410 1 8 ILE H 1 44 VAL H . . 5.050 4.075 3.590 4.282 . 0 0 "[ . 1 . 2]" 2
411 1 7 SER HA 1 8 ILE H . . 3.330 2.149 2.138 2.181 . 0 0 "[ . 1 . 2]" 2
412 1 8 ILE H 1 45 THR HA . . 3.840 3.143 2.914 3.510 . 0 0 "[ . 1 . 2]" 2
413 1 7 SER HB3 1 8 ILE H . . 4.310 3.651 3.439 4.314 0.004 20 0 "[ . 1 . 2]" 2
414 1 8 ILE H 1 43 THR MG . . 4.250 3.907 3.285 4.265 0.015 11 0 "[ . 1 . 2]" 2
415 1 8 ILE HA 1 9 THR H . . 3.420 2.177 2.158 2.179 . 0 0 "[ . 1 . 2]" 2
416 1 10 ALA H 1 11 ARG H . . 4.690 4.511 4.412 4.551 . 0 0 "[ . 1 . 2]" 2
417 1 9 THR H 1 10 ALA H . . 4.840 4.057 3.689 4.516 . 0 0 "[ . 1 . 2]" 2
418 1 10 ALA H 1 44 VAL H . . 5.200 4.550 3.876 4.959 . 0 0 "[ . 1 . 2]" 2
419 1 9 THR HA 1 10 ALA H . . 3.180 2.222 2.151 2.408 . 0 0 "[ . 1 . 2]" 2
420 1 9 THR HB 1 10 ALA H . . 4.250 4.120 3.431 4.367 0.117 19 0 "[ . 1 . 2]" 2
421 1 9 THR MG 1 10 ALA H . . 3.760 3.302 2.177 3.741 . 0 0 "[ . 1 . 2]" 2
422 1 11 ARG H 1 12 THR H . . 3.780 2.621 2.416 2.795 . 0 0 "[ . 1 . 2]" 2
423 1 10 ALA HA 1 11 ARG H . . 3.440 2.439 2.261 2.463 . 0 0 "[ . 1 . 2]" 2
424 1 11 ARG H 1 12 THR HA . . 5.240 5.184 5.078 5.245 0.005 12 0 "[ . 1 . 2]" 2
425 1 10 ALA MB 1 11 ARG H . . 3.450 2.413 2.259 2.804 . 0 0 "[ . 1 . 2]" 2
426 1 11 ARG H 1 12 THR MG . . 4.400 3.982 3.636 4.348 . 0 0 "[ . 1 . 2]" 2
427 1 14 LYS H 1 16 ALA H . . 4.810 4.402 4.121 4.518 . 0 0 "[ . 1 . 2]" 2
428 1 14 LYS H 1 15 GLU HB2 . . 4.640 4.611 4.564 4.646 0.006 12 0 "[ . 1 . 2]" 2
429 1 13 LYS H 1 15 GLU H . . 5.190 4.250 4.111 4.494 . 0 0 "[ . 1 . 2]" 2
430 1 15 GLU H 1 17 GLU H . . 5.500 4.029 3.912 4.189 . 0 0 "[ . 1 . 2]" 2
431 1 14 LYS H 1 15 GLU H . . 3.820 2.705 2.646 2.754 . 0 0 "[ . 1 . 2]" 2
432 1 15 GLU H 1 16 ALA H . . 3.230 2.701 2.600 2.739 . 0 0 "[ . 1 . 2]" 2
433 1 13 LYS HA 1 15 GLU H . . 4.270 4.200 4.067 4.279 0.009 12 0 "[ . 1 . 2]" 2
434 1 10 ALA MB 1 15 GLU H . . 4.080 3.856 3.590 4.063 . 0 0 "[ . 1 . 2]" 2
435 1 12 THR MG 1 15 GLU H . . 4.160 1.962 1.863 2.174 . 0 0 "[ . 1 . 2]" 2
436 1 16 ALA H 1 17 GLU H . . 3.690 2.687 2.581 2.724 . 0 0 "[ . 1 . 2]" 2
437 1 13 LYS HA 1 16 ALA H . . 4.550 3.459 3.298 3.567 . 0 0 "[ . 1 . 2]" 2
438 1 15 GLU QG 1 16 ALA H . . 4.590 4.296 4.168 4.613 0.023 18 0 "[ . 1 . 2]" 2
439 1 15 GLU HB2 1 16 ALA H . . 3.520 2.691 2.523 3.123 . 0 0 "[ . 1 . 2]" 2
440 1 15 GLU HB3 1 16 ALA H . . 3.770 3.058 2.735 3.323 . 0 0 "[ . 1 . 2]" 2
441 1 17 GLU H 1 20 ALA H . . 4.900 4.755 4.620 4.829 . 0 0 "[ . 1 . 2]" 2
442 1 14 LYS HA 1 17 GLU H . . 4.200 3.634 3.414 3.739 . 0 0 "[ . 1 . 2]" 2
443 1 16 ALA MB 1 17 GLU H . . 3.820 2.682 2.603 2.761 . 0 0 "[ . 1 . 2]" 2
444 1 17 GLU H 1 20 ALA MB . . 4.690 4.557 4.334 4.687 . 0 0 "[ . 1 . 2]" 2
445 1 17 GLU H 1 18 LYS H . . 4.000 2.703 2.549 2.730 . 0 0 "[ . 1 . 2]" 2
446 1 18 LYS H 1 20 ALA H . . 4.760 4.185 4.108 4.265 . 0 0 "[ . 1 . 2]" 2
447 1 18 LYS H 1 19 PHE H . . 3.960 2.664 2.593 2.732 . 0 0 "[ . 1 . 2]" 2
448 1 18 LYS H 1 19 PHE QD . . 5.500 4.379 4.203 4.812 . 0 0 "[ . 1 . 2]" 2
449 1 18 LYS H 1 19 PHE HB2 . . 5.170 4.652 4.589 4.757 . 0 0 "[ . 1 . 2]" 2
450 1 17 GLU HB2 1 18 LYS H . . 4.110 3.031 2.767 4.127 0.017 4 0 "[ . 1 . 2]" 2
451 1 17 GLU HB3 1 18 LYS H . . 4.110 3.266 3.024 3.492 . 0 0 "[ . 1 . 2]" 2
452 1 18 LYS H 1 20 ALA MB . . 4.860 4.777 4.671 4.866 0.006 20 0 "[ . 1 . 2]" 2
453 1 8 ILE MD 1 19 PHE H . . 4.300 3.668 3.524 4.181 . 0 0 "[ . 1 . 2]" 2
454 1 19 PHE QD 1 20 ALA H . . 4.760 4.420 4.338 4.476 . 0 0 "[ . 1 . 2]" 2
455 1 17 GLU HA 1 20 ALA H . . 4.040 3.364 3.204 3.545 . 0 0 "[ . 1 . 2]" 2
456 1 18 LYS QB 1 20 ALA H . . 4.880 4.785 4.635 4.879 . 0 0 "[ . 1 . 2]" 2
457 1 8 ILE MD 1 20 ALA H . . 3.780 3.014 2.711 3.402 . 0 0 "[ . 1 . 2]" 2
458 1 20 ALA H 1 21 ALA H . . 3.810 2.790 2.777 2.811 . 0 0 "[ . 1 . 2]" 2
459 1 20 ALA MB 1 21 ALA H . . 3.620 2.600 2.523 2.645 . 0 0 "[ . 1 . 2]" 2
460 1 22 ILE H 1 24 ILE H . . 4.330 4.093 4.062 4.152 . 0 0 "[ . 1 . 2]" 2
461 1 22 ILE H 1 23 LEU HB2 . . 4.580 4.409 4.379 4.468 . 0 0 "[ . 1 . 2]" 2
462 1 21 ALA MB 1 22 ILE H . . 3.550 2.617 2.571 2.681 . 0 0 "[ . 1 . 2]" 2
463 1 23 LEU H 1 24 ILE H . . 3.960 2.795 2.780 2.826 . 0 0 "[ . 1 . 2]" 2
464 1 22 ILE H 1 23 LEU H . . 3.680 2.682 2.656 2.730 . 0 0 "[ . 1 . 2]" 2
465 1 22 ILE HG13 1 23 LEU H . . 4.400 4.255 4.242 4.282 . 0 0 "[ . 1 . 2]" 2
466 1 23 LEU H 1 26 VAL MG2 . . 4.390 4.017 3.909 4.041 . 0 0 "[ . 1 . 2]" 2
467 1 22 ILE MD 1 23 LEU H . . 4.430 4.114 4.009 4.158 . 0 0 "[ . 1 . 2]" 2
468 1 24 ILE H 1 26 VAL H . . 4.470 4.179 4.139 4.199 . 0 0 "[ . 1 . 2]" 2
469 1 21 ALA MB 1 24 ILE H . . 4.950 4.767 4.715 4.810 . 0 0 "[ . 1 . 2]" 2
470 1 24 ILE H 1 35 ILE MG . . 5.240 5.020 4.604 5.247 0.007 16 0 "[ . 1 . 2]" 2
471 1 24 ILE H 1 46 VAL MG2 . . 5.500 4.668 4.441 4.757 . 0 0 "[ . 1 . 2]" 2
472 1 24 ILE H 1 25 LYS H . . 3.940 2.728 2.703 2.770 . 0 0 "[ . 1 . 2]" 2
473 1 25 LYS H 1 26 VAL H . . 3.720 2.646 2.638 2.662 . 0 0 "[ . 1 . 2]" 2
474 1 25 LYS H 1 26 VAL HB . . 5.130 5.035 5.008 5.111 . 0 0 "[ . 1 . 2]" 2
475 1 24 ILE MG 1 25 LYS H . . 3.720 3.395 3.359 3.443 . 0 0 "[ . 1 . 2]" 2
476 1 24 ILE MD 1 25 LYS H . . 4.190 4.176 4.110 4.193 0.003 3 0 "[ . 1 . 2]" 2
477 1 26 VAL H 1 27 PHE HB2 . . 5.500 4.548 4.496 4.565 . 0 0 "[ . 1 . 2]" 2
478 1 25 LYS HB2 1 26 VAL H . . 3.570 2.577 2.570 2.639 . 0 0 "[ . 1 . 2]" 2
479 1 24 ILE HB 1 26 VAL H . . 5.190 5.023 4.946 5.037 . 0 0 "[ . 1 . 2]" 2
480 1 26 VAL H 1 27 PHE H . . 3.830 2.646 2.600 2.653 . 0 0 "[ . 1 . 2]" 2
481 1 27 PHE H 1 28 ALA H . . 4.030 2.609 2.575 2.645 . 0 0 "[ . 1 . 2]" 2
482 1 24 ILE HA 1 27 PHE H . . 4.250 3.577 3.518 3.593 . 0 0 "[ . 1 . 2]" 2
483 1 26 VAL HB 1 27 PHE H . . 3.720 2.613 2.608 2.628 . 0 0 "[ . 1 . 2]" 2
484 1 27 PHE H 1 28 ALA MB . . 4.380 4.278 4.181 4.317 . 0 0 "[ . 1 . 2]" 2
485 1 26 VAL MG2 1 27 PHE H . . 4.010 3.685 3.629 3.705 . 0 0 "[ . 1 . 2]" 2
486 1 26 VAL MG1 1 27 PHE H . . 3.880 3.698 3.668 3.743 . 0 0 "[ . 1 . 2]" 2
487 1 25 LYS HA 1 28 ALA H . . 4.640 3.545 3.501 3.604 . 0 0 "[ . 1 . 2]" 2
488 1 27 PHE HB2 1 28 ALA H . . 4.330 2.816 2.789 2.860 . 0 0 "[ . 1 . 2]" 2
489 1 28 ALA H 1 35 ILE MD . . 4.860 4.246 4.169 4.310 . 0 0 "[ . 1 . 2]" 2
490 1 28 ALA H 1 29 GLU H . . 4.200 2.716 2.693 2.730 . 0 0 "[ . 1 . 2]" 2
491 1 25 LYS HA 1 29 GLU H . . 5.040 4.022 3.913 4.147 . 0 0 "[ . 1 . 2]" 2
492 1 29 GLU H 1 30 LEU H . . 3.680 2.544 2.536 2.555 . 0 0 "[ . 1 . 2]" 2
493 1 30 LEU H 1 32 TYR H . . 4.250 3.325 3.229 3.432 . 0 0 "[ . 1 . 2]" 2
494 1 30 LEU H 1 32 TYR QD . . 4.290 3.772 3.727 3.883 . 0 0 "[ . 1 . 2]" 2
495 1 29 GLU HG3 1 30 LEU H . . 4.050 2.436 2.403 2.710 . 0 0 "[ . 1 . 2]" 2
496 1 29 GLU HB3 1 30 LEU H . . 4.110 3.944 3.897 4.128 0.018 6 0 "[ . 1 . 2]" 2
497 1 31 GLY H 1 32 TYR H . . 3.450 2.360 2.241 2.410 . 0 0 "[ . 1 . 2]" 2
498 1 31 GLY H 1 32 TYR QD . . 4.180 3.520 3.376 3.705 . 0 0 "[ . 1 . 2]" 2
499 1 28 ALA HA 1 31 GLY H . . 4.140 3.605 3.492 3.697 . 0 0 "[ . 1 . 2]" 2
500 1 29 GLU HA 1 31 GLY H . . 4.440 3.640 3.567 3.793 . 0 0 "[ . 1 . 2]" 2
501 1 31 GLY H 1 32 TYR HB2 . . 4.960 4.570 4.450 4.661 . 0 0 "[ . 1 . 2]" 2
502 1 30 LEU HB3 1 31 GLY H . . 4.510 4.100 3.973 4.202 . 0 0 "[ . 1 . 2]" 2
503 1 30 LEU HB2 1 31 GLY H . . 5.500 3.532 3.328 3.689 . 0 0 "[ . 1 . 2]" 2
504 1 30 LEU HG 1 31 GLY H . . 5.120 4.873 4.778 5.001 . 0 0 "[ . 1 . 2]" 2
505 1 32 TYR H 1 33 ASN H . . 4.100 2.956 2.814 3.001 . 0 0 "[ . 1 . 2]" 2
506 1 33 ASN H 1 34 ASP H . . 4.700 4.646 4.644 4.648 . 0 0 "[ . 1 . 2]" 2
507 1 32 TYR QD 1 33 ASN H . . 4.910 4.696 4.639 4.772 . 0 0 "[ . 1 . 2]" 2
508 1 32 TYR HA 1 33 ASN H . . 3.400 2.871 2.847 2.956 . 0 0 "[ . 1 . 2]" 2
509 1 32 TYR HB2 1 33 ASN H . . 4.140 4.168 4.065 4.193 0.053 5 0 "[ . 1 . 2]" 2
510 1 32 TYR HB3 1 33 ASN H . . 4.590 4.430 4.424 4.441 . 0 0 "[ . 1 . 2]" 2
511 1 34 ASP H 1 35 ILE MD . . 4.500 4.416 4.363 4.468 . 0 0 "[ . 1 . 2]" 2
512 1 35 ILE H 1 36 ASN H . . 4.770 4.582 4.563 4.593 . 0 0 "[ . 1 . 2]" 2
513 1 34 ASP H 1 35 ILE H . . 4.030 2.774 2.704 2.855 . 0 0 "[ . 1 . 2]" 2
514 1 33 ASN HA 1 35 ILE H . . 4.610 4.095 3.989 4.229 . 0 0 "[ . 1 . 2]" 2
515 1 36 ASN H 1 47 GLU HB2 . . 5.140 3.601 3.318 4.198 . 0 0 "[ . 1 . 2]" 2
516 1 36 ASN H 1 47 GLU HB3 . . 5.140 4.064 3.612 4.384 . 0 0 "[ . 1 . 2]" 2
517 1 35 ILE HG12 1 36 ASN H . . 4.050 3.975 3.925 4.056 0.006 20 0 "[ . 1 . 2]" 2
518 1 36 ASN H 1 37 VAL H . . 4.300 4.281 4.224 4.312 0.012 17 0 "[ . 1 . 2]" 2
519 1 36 ASN HA 1 37 VAL H . . 3.090 2.146 2.141 2.167 . 0 0 "[ . 1 . 2]" 2
520 1 37 VAL H 1 46 VAL HA . . 5.010 4.794 4.567 4.886 . 0 0 "[ . 1 . 2]" 2
521 1 36 ASN QB 1 37 VAL H . . 3.790 3.342 3.203 3.398 . 0 0 "[ . 1 . 2]" 2
522 1 37 VAL H 1 38 THR H . . 4.630 4.503 4.491 4.517 . 0 0 "[ . 1 . 2]" 2
523 1 37 VAL HA 1 38 THR H . . 3.100 2.182 2.173 2.188 . 0 0 "[ . 1 . 2]" 2
524 1 38 THR H 1 45 THR HB . . 4.330 3.682 3.176 3.836 . 0 0 "[ . 1 . 2]" 2
525 1 37 VAL MG1 1 38 THR H . . 3.850 3.773 3.736 3.876 0.026 6 0 "[ . 1 . 2]" 2
526 1 37 VAL MG2 1 38 THR H . . 3.710 2.154 2.091 2.354 . 0 0 "[ . 1 . 2]" 2
527 1 38 THR H 1 39 TRP H . . 5.190 4.191 4.091 4.322 . 0 0 "[ . 1 . 2]" 2
528 1 39 TRP H 1 45 THR H . . 5.500 4.827 4.541 5.124 . 0 0 "[ . 1 . 2]" 2
529 1 39 TRP H 1 40 ASP H . . 4.830 4.471 4.378 4.585 . 0 0 "[ . 1 . 2]" 2
530 1 38 THR HA 1 39 TRP H . . 3.180 2.146 2.141 2.166 . 0 0 "[ . 1 . 2]" 2
531 1 38 THR HB 1 39 TRP H . . 3.980 3.450 3.153 3.583 . 0 0 "[ . 1 . 2]" 2
532 1 38 THR MG 1 39 TRP H . . 4.100 3.933 3.744 4.103 0.003 10 0 "[ . 1 . 2]" 2
533 1 39 TRP HE3 1 40 ASP H . . 4.380 3.917 3.367 4.388 0.008 20 0 "[ . 1 . 2]" 2
534 1 40 ASP H 1 44 VAL HA . . 5.010 3.858 3.466 4.642 . 0 0 "[ . 1 . 2]" 2
535 1 42 ASP H 1 43 THR H . . 3.460 2.174 1.888 2.754 . 0 0 "[ . 1 . 2]" 2
536 1 43 THR HA 1 44 VAL H . . 3.420 2.159 2.143 2.167 . 0 0 "[ . 1 . 2]" 2
537 1 44 VAL HA 1 45 THR H . . 3.320 2.167 2.141 2.184 . 0 0 "[ . 1 . 2]" 2
538 1 37 VAL MG1 1 45 THR H . . 5.500 5.340 5.093 5.502 0.002 12 0 "[ . 1 . 2]" 2
539 1 45 THR H 1 46 VAL H . . 4.460 4.287 4.199 4.370 . 0 0 "[ . 1 . 2]" 2
540 1 46 VAL H 1 47 GLU H . . 4.780 4.533 4.443 4.561 . 0 0 "[ . 1 . 2]" 2
541 1 7 SER HA 1 46 VAL H . . 3.900 3.247 3.192 3.362 . 0 0 "[ . 1 . 2]" 2
542 1 45 THR HA 1 46 VAL H . . 3.210 2.156 2.143 2.195 . 0 0 "[ . 1 . 2]" 2
543 1 5 ARG HA 1 46 VAL H . . 5.140 4.867 4.537 4.980 . 0 0 "[ . 1 . 2]" 2
544 1 37 VAL HA 1 46 VAL H . . 5.500 4.819 4.554 4.925 . 0 0 "[ . 1 . 2]" 2
545 1 45 THR HB 1 46 VAL H . . 4.460 4.092 4.005 4.182 . 0 0 "[ . 1 . 2]" 2
546 1 45 THR MG 1 46 VAL H . . 3.600 2.622 2.093 2.939 . 0 0 "[ . 1 . 2]" 2
547 1 36 ASN H 1 47 GLU H . . 3.880 2.978 2.819 3.087 . 0 0 "[ . 1 . 2]" 2
548 1 46 VAL HA 1 47 GLU H . . 3.240 2.193 2.177 2.201 . 0 0 "[ . 1 . 2]" 2
549 1 36 ASN QB 1 47 GLU H . . 4.790 3.919 3.662 4.040 . 0 0 "[ . 1 . 2]" 2
550 1 36 ASN H 1 48 GLY H . . 5.320 4.887 4.839 5.100 . 0 0 "[ . 1 . 2]" 2
551 1 47 GLU HA 1 48 GLY H . . 3.390 2.145 2.142 2.157 . 0 0 "[ . 1 . 2]" 2
552 1 5 ARG HA 1 48 GLY H . . 4.640 3.337 3.135 3.593 . 0 0 "[ . 1 . 2]" 2
553 1 49 GLN H 1 50 LEU H . . 4.500 4.417 4.307 4.495 . 0 0 "[ . 1 . 2]" 2
554 1 32 TYR QD 1 49 GLN H . . 4.390 3.613 3.342 3.880 . 0 0 "[ . 1 . 2]" 2
555 1 49 GLN H 1 49 GLN HE21 . . 3.500 2.656 2.021 3.513 0.013 12 0 "[ . 1 . 2]" 2
556 1 48 GLY HA3 1 49 GLN H . . 3.480 2.844 2.672 3.023 . 0 0 "[ . 1 . 2]" 2
557 1 32 TYR HA 1 49 GLN H . . 4.200 4.056 3.649 4.222 0.022 20 0 "[ . 1 . 2]" 2
558 1 48 GLY HA2 1 49 GLN H . . 3.480 2.324 2.205 2.459 . 0 0 "[ . 1 . 2]" 2
559 1 32 TYR HB3 1 49 GLN H . . 4.400 3.428 3.103 3.730 . 0 0 "[ . 1 . 2]" 2
560 1 35 ILE HG13 1 49 GLN H . . 4.600 4.595 4.502 4.638 0.038 20 0 "[ . 1 . 2]" 2
561 1 32 TYR QD 1 50 LEU H . . 4.480 4.089 3.593 4.483 0.003 13 0 "[ . 1 . 2]" 2
562 1 32 TYR QE 1 50 LEU H . . 4.370 4.149 3.650 4.414 0.044 13 0 "[ . 1 . 2]" 2
563 1 49 GLN HA 1 50 LEU H . . 3.280 2.267 2.168 2.388 . 0 0 "[ . 1 . 2]" 2
564 1 3 ARG HA 1 50 LEU H . . 4.020 3.694 3.502 3.876 . 0 0 "[ . 1 . 2]" 2
565 1 2 GLU QG 1 50 LEU H . . 4.960 3.418 1.931 4.958 . 0 0 "[ . 1 . 2]" 2
566 1 50 LEU HA 1 51 GLU H . . 3.300 2.209 2.141 2.285 . 0 0 "[ . 1 . 2]" 2
567 1 50 LEU MD1 1 51 GLU H . . 4.200 2.939 1.922 4.251 0.051 14 0 "[ . 1 . 2]" 2
568 1 54 SER HA 1 55 LEU H . . 3.570 2.534 2.156 3.555 . 0 0 "[ . 1 . 2]" 2
569 1 54 SER HB2 1 55 LEU H . . 4.430 3.500 2.488 4.322 . 0 0 "[ . 1 . 2]" 2
570 1 54 SER HA 1 56 GLU H . . 5.090 4.639 4.118 5.070 . 0 0 "[ . 1 . 2]" 2
571 1 36 ASN HD21 1 38 THR MG . . 4.930 4.031 4.019 4.040 . 0 0 "[ . 1 . 2]" 2
572 1 36 ASN HD22 1 38 THR MG . . 5.470 5.471 5.469 5.473 0.003 11 0 "[ . 1 . 2]" 2
573 1 37 VAL MG1 1 39 TRP HE1 . . 5.110 4.851 3.700 5.116 0.006 20 0 "[ . 1 . 2]" 2
574 1 34 ASP HB2 1 49 GLN HE21 . . 4.380 3.928 3.090 4.341 . 0 0 "[ . 1 . 2]" 2
575 1 49 GLN HE22 1 49 GLN QG . . 3.490 3.248 3.217 3.271 . 0 0 "[ . 1 . 2]" 2
576 1 4 VAL H 1 32 TYR QE . . 4.790 4.065 3.608 4.396 . 0 0 "[ . 1 . 2]" 2
577 1 4 VAL H 1 27 PHE QE . . 5.500 4.963 4.787 5.375 . 0 0 "[ . 1 . 2]" 2
578 1 4 VAL H 1 4 VAL MG2 . . 4.280 2.713 2.459 2.833 . 0 0 "[ . 1 . 2]" 2
579 1 4 VAL HA 1 5 ARG H . . 3.180 2.147 2.142 2.158 . 0 0 "[ . 1 . 2]" 2
580 1 5 ARG H 1 5 ARG HG2 . . 4.370 4.381 4.323 4.425 0.055 8 0 "[ . 1 . 2]" 2
581 1 4 VAL MG2 1 5 ARG H . . 4.430 4.078 4.031 4.138 . 0 0 "[ . 1 . 2]" 2
582 1 6 ILE H 1 27 PHE QE . . 4.710 4.245 4.139 4.364 . 0 0 "[ . 1 . 2]" 2
583 1 6 ILE H 1 46 VAL HA . . 5.270 4.782 4.738 4.828 . 0 0 "[ . 1 . 2]" 2
584 1 6 ILE H 1 47 GLU HG2 . . 5.500 5.088 4.755 5.500 . 0 0 "[ . 1 . 2]" 2
585 1 6 ILE H 1 47 GLU HG3 . . 5.500 4.937 4.563 5.429 . 0 0 "[ . 1 . 2]" 2
586 1 6 ILE H 1 6 ILE MD . . 5.230 4.031 3.962 4.109 . 0 0 "[ . 1 . 2]" 2
587 1 6 ILE H 1 7 SER H . . 4.440 4.331 4.300 4.367 . 0 0 "[ . 1 . 2]" 2
588 1 7 SER H 1 45 THR HA . . 4.980 4.592 4.504 4.631 . 0 0 "[ . 1 . 2]" 2
589 1 6 ILE HG13 1 7 SER H . . 5.500 5.094 5.040 5.169 . 0 0 "[ . 1 . 2]" 2
590 1 6 ILE MD 1 7 SER H . . 5.270 5.128 5.036 5.155 . 0 0 "[ . 1 . 2]" 2
591 1 8 ILE H 1 45 THR MG . . 4.720 4.286 4.084 4.698 . 0 0 "[ . 1 . 2]" 2
592 1 9 THR H 1 10 ALA HA . . 5.300 4.885 4.773 5.125 . 0 0 "[ . 1 . 2]" 2
593 1 10 ALA H 1 43 THR MG . . 4.750 4.133 3.352 4.755 0.005 11 0 "[ . 1 . 2]" 2
594 1 11 ARG H 1 11 ARG HD2 . . 5.500 4.601 2.538 5.457 . 0 0 "[ . 1 . 2]" 2
595 1 11 ARG H 1 11 ARG HD3 . . 5.500 4.425 2.249 5.506 0.006 12 0 "[ . 1 . 2]" 2
596 1 12 THR HB 1 13 LYS H . . 3.800 3.726 3.687 3.801 0.001 5 0 "[ . 1 . 2]" 2
597 1 13 LYS H 1 14 LYS H . . 4.210 2.687 2.575 2.765 . 0 0 "[ . 1 . 2]" 2
598 1 12 THR HB 1 14 LYS H . . 4.610 4.371 4.114 4.543 . 0 0 "[ . 1 . 2]" 2
599 1 13 LYS QG 1 14 LYS H . . 4.030 2.158 2.043 2.432 . 0 0 "[ . 1 . 2]" 2
600 1 15 GLU H 1 16 ALA HA . . 5.500 5.296 5.226 5.324 . 0 0 "[ . 1 . 2]" 2
601 1 12 THR HB 1 15 GLU H . . 4.700 4.577 4.479 4.713 0.013 19 0 "[ . 1 . 2]" 2
602 1 12 THR MG 1 16 ALA H . . 4.610 3.808 3.659 3.984 . 0 0 "[ . 1 . 2]" 2
603 1 19 PHE H 1 20 ALA H . . 3.410 2.509 2.342 2.669 . 0 0 "[ . 1 . 2]" 2
604 1 20 ALA H 1 21 ALA MB . . 4.530 4.316 4.305 4.339 . 0 0 "[ . 1 . 2]" 2
605 1 21 ALA MB 1 23 LEU H . . 5.050 4.648 4.594 4.688 . 0 0 "[ . 1 . 2]" 2
606 1 21 ALA HA 1 25 LYS H . . 4.930 4.675 4.561 4.767 . 0 0 "[ . 1 . 2]" 2
607 1 27 PHE H 1 29 GLU H . . 4.240 4.203 4.163 4.232 . 0 0 "[ . 1 . 2]" 2
608 1 34 ASP HB3 1 35 ILE H . . 4.500 4.336 4.318 4.358 . 0 0 "[ . 1 . 2]" 2
609 1 40 ASP H 1 43 THR H . . 4.420 2.991 2.736 3.170 . 0 0 "[ . 1 . 2]" 2
610 1 39 TRP HA 1 40 ASP H . . 3.330 2.188 2.140 2.227 . 0 0 "[ . 1 . 2]" 2
611 1 39 TRP HA 1 45 THR H . . 4.150 3.348 3.208 3.645 . 0 0 "[ . 1 . 2]" 2
612 1 37 VAL HA 1 47 GLU H . . 4.060 3.191 3.048 3.362 . 0 0 "[ . 1 . 2]" 2
613 1 4 VAL HB 1 48 GLY H . . 5.490 3.761 3.542 3.962 . 0 0 "[ . 1 . 2]" 2
614 1 47 GLU HG2 1 48 GLY H . . 5.410 3.960 3.228 4.471 . 0 0 "[ . 1 . 2]" 2
615 1 47 GLU HG3 1 48 GLY H . . 5.410 4.836 4.344 5.067 . 0 0 "[ . 1 . 2]" 2
616 1 27 PHE QE 1 48 GLY H . . 5.200 4.670 4.399 4.934 . 0 0 "[ . 1 . 2]" 2
617 1 48 GLY H 1 49 GLN H . . 5.050 4.464 4.428 4.479 . 0 0 "[ . 1 . 2]" 2
618 1 51 GLU H 1 51 GLU HB2 . . 3.790 3.694 3.083 3.781 . 0 0 "[ . 1 . 2]" 2
619 1 32 TYR HA 1 50 LEU H . . 5.500 5.027 4.503 5.514 0.014 3 0 "[ . 1 . 2]" 2
620 1 32 TYR HA 1 51 GLU H . . 5.500 4.635 4.087 5.380 . 0 0 "[ . 1 . 2]" 2
621 1 55 LEU HB2 1 56 GLU H . . 4.900 4.045 2.275 4.576 . 0 0 "[ . 1 . 2]" 2
622 1 55 LEU HB3 1 56 GLU H . . 4.900 3.970 2.643 4.339 . 0 0 "[ . 1 . 2]" 2
623 1 36 ASN H 1 36 ASN HD21 . . 5.500 5.312 5.258 5.396 . 0 0 "[ . 1 . 2]" 2
624 1 22 ILE MG 1 26 VAL H . . 3.890 3.747 3.705 3.775 . 0 0 "[ . 1 . 2]" 2
625 1 40 ASP H 1 43 THR HB . . 4.350 3.691 3.215 4.135 . 0 0 "[ . 1 . 2]" 2
626 1 12 THR H 1 15 GLU HB2 . . 3.700 2.518 2.135 3.079 . 0 0 "[ . 1 . 2]" 2
627 1 18 LYS QB 1 19 PHE H . . 3.770 2.673 2.455 2.762 . 0 0 "[ . 1 . 2]" 2
628 1 22 ILE HB 1 23 LEU H . . 3.310 2.429 2.424 2.452 . 0 0 "[ . 1 . 2]" 2
629 1 14 LYS H 1 14 LYS QD . . 4.220 3.369 1.941 4.147 . 0 0 "[ . 1 . 2]" 2
630 1 10 ALA MB 1 12 THR H . . 3.740 2.845 2.251 3.588 . 0 0 "[ . 1 . 2]" 2
631 1 55 LEU H 1 55 LEU HB3 . . 3.940 3.648 3.480 4.046 0.106 6 0 "[ . 1 . 2]" 2
632 1 4 VAL H 1 4 VAL MG1 . . 4.280 3.885 3.836 3.916 . 0 0 "[ . 1 . 2]" 2
633 1 55 LEU H 1 55 LEU MD1 . . 4.290 4.003 3.390 4.191 . 0 0 "[ . 1 . 2]" 2
634 1 55 LEU H 1 55 LEU MD2 . . 4.290 2.584 2.260 2.967 . 0 0 "[ . 1 . 2]" 2
635 1 6 ILE MG 1 46 VAL H . . 5.150 4.370 4.233 4.526 . 0 0 "[ . 1 . 2]" 2
636 1 50 LEU H 1 50 LEU MD2 . . 4.790 4.245 3.965 4.482 . 0 0 "[ . 1 . 2]" 2
637 1 14 LYS HA 1 16 ALA H . . 5.500 4.710 4.207 4.842 . 0 0 "[ . 1 . 2]" 2
638 1 14 LYS HA 1 18 LYS H . . 5.500 4.285 4.113 4.422 . 0 0 "[ . 1 . 2]" 2
639 1 18 LYS HA 1 20 ALA H . . 4.930 4.597 4.485 4.725 . 0 0 "[ . 1 . 2]" 2
640 1 16 ALA H 1 17 GLU HA . . 5.290 5.282 5.208 5.313 0.023 15 0 "[ . 1 . 2]" 2
641 1 20 ALA HA 1 23 LEU H . . 3.850 3.458 3.419 3.525 . 0 0 "[ . 1 . 2]" 2
642 1 39 TRP HB3 1 39 TRP HE3 . . 4.140 4.026 2.487 4.140 . 0 0 "[ . 1 . 2]" 2
643 1 19 PHE HB3 1 20 ALA H . . 3.930 3.371 3.294 3.531 . 0 0 "[ . 1 . 2]" 2
644 1 25 LYS H 1 27 PHE H . . 4.760 4.122 4.113 4.153 . 0 0 "[ . 1 . 2]" 2
645 1 27 PHE QD 1 32 TYR H . . 4.840 4.175 4.087 4.251 . 0 0 "[ . 1 . 2]" 2
646 1 4 VAL HB 1 32 TYR QE . . 4.980 3.288 3.196 3.355 . 0 0 "[ . 1 . 2]" 2
647 1 37 VAL MG2 1 39 TRP HD1 . . 4.260 3.775 3.295 4.281 0.021 6 0 "[ . 1 . 2]" 2
648 1 27 PHE QD 1 35 ILE MD . . 3.840 2.793 2.765 2.820 . 0 0 "[ . 1 . 2]" 2
649 1 32 TYR QE 1 50 LEU HB3 . . 4.140 3.979 3.243 4.168 0.028 19 0 "[ . 1 . 2]" 2
650 1 8 ILE MG 1 19 PHE QD . . 3.770 3.712 3.008 3.852 0.082 18 0 "[ . 1 . 2]" 2
651 1 8 ILE MD 1 19 PHE QD . . 4.120 3.385 2.691 3.717 . 0 0 "[ . 1 . 2]" 2
652 1 27 PHE QD 1 46 VAL MG2 . . 3.750 2.958 2.889 3.065 . 0 0 "[ . 1 . 2]" 2
653 1 27 PHE QE 1 46 VAL MG2 . . 3.430 2.980 2.808 3.117 . 0 0 "[ . 1 . 2]" 2
654 1 22 ILE H 1 22 ILE MD . . 3.830 3.142 3.002 3.213 . 0 0 "[ . 1 . 2]" 2
655 1 32 TYR QD 1 50 LEU MD2 . . 4.950 3.674 2.491 4.224 . 0 0 "[ . 1 . 2]" 2
656 1 27 PHE HB3 1 32 TYR QD . . 5.500 4.339 4.181 4.424 . 0 0 "[ . 1 . 2]" 2
657 1 2 GLU QG 1 32 TYR QE . . 4.500 3.797 2.679 4.518 0.018 10 0 "[ . 1 . 2]" 2
658 1 57 HIS HA 1 57 HIS HD2 . . 4.160 3.482 2.710 4.260 0.100 5 0 "[ . 1 . 2]" 2
659 1 22 ILE HA 1 25 LYS H . . 3.830 3.436 3.419 3.466 . 0 0 "[ . 1 . 2]" 2
660 1 5 ARG HA 1 47 GLU HA . . 3.400 2.501 2.393 2.656 . 0 0 "[ . 1 . 2]" 2
661 1 14 LYS HA 1 18 LYS HG2 . . 4.280 4.272 4.065 4.301 0.021 18 0 "[ . 1 . 2]" 2
662 1 7 SER HB3 1 43 THR MG . . 3.810 3.568 3.306 3.879 0.069 20 0 "[ . 1 . 2]" 2
663 1 7 SER HB2 1 43 THR MG . . 3.810 3.639 3.252 3.817 0.007 18 0 "[ . 1 . 2]" 2
664 1 22 ILE HA 1 22 ILE HG12 . . 3.350 2.836 2.798 2.932 . 0 0 "[ . 1 . 2]" 2
665 1 25 LYS HB3 1 26 VAL HA . . 4.550 4.502 4.491 4.574 0.024 14 0 "[ . 1 . 2]" 2
666 1 21 ALA HA 1 24 ILE HB . . 3.640 3.188 3.089 3.317 . 0 0 "[ . 1 . 2]" 2
667 1 20 ALA HA 1 23 LEU HG . . 4.860 4.081 3.940 4.241 . 0 0 "[ . 1 . 2]" 2
668 1 20 ALA HA 1 46 VAL HB . . 5.150 4.482 4.342 4.531 . 0 0 "[ . 1 . 2]" 2
669 1 22 ILE HA 1 22 ILE HG13 . . 3.520 2.677 2.610 2.710 . 0 0 "[ . 1 . 2]" 2
670 1 56 GLU HA 1 56 GLU HG3 . . 4.200 3.340 2.293 4.218 0.018 16 0 "[ . 1 . 2]" 2
671 1 22 ILE HA 1 25 LYS HB2 . . 4.190 3.138 3.109 3.177 . 0 0 "[ . 1 . 2]" 2
672 1 23 LEU HA 1 25 LYS H . . 4.450 4.413 4.386 4.461 0.011 14 0 "[ . 1 . 2]" 2
673 1 23 LEU HA 1 27 PHE QD . . 4.440 4.130 4.072 4.252 . 0 0 "[ . 1 . 2]" 2
674 1 28 ALA HA 1 32 TYR H . . 3.690 3.411 3.336 3.501 . 0 0 "[ . 1 . 2]" 2
675 1 9 THR H 1 9 THR HB . . 3.690 3.043 2.845 3.378 . 0 0 "[ . 1 . 2]" 2
676 1 14 LYS QE 1 14 LYS HG2 . . 3.520 2.751 1.982 3.408 . 0 0 "[ . 1 . 2]" 2
677 1 5 ARG QB 1 5 ARG QD . . 2.650 2.080 1.946 2.397 . 0 0 "[ . 1 . 2]" 2
678 1 16 ALA HA 1 19 PHE HB2 . . 3.640 2.834 2.607 3.177 . 0 0 "[ . 1 . 2]" 2
679 1 2 GLU HA 1 2 GLU QG . . 3.680 2.850 2.244 3.342 . 0 0 "[ . 1 . 2]" 2
680 1 56 GLU HG3 1 57 HIS HA . . 4.540 3.734 3.029 4.549 0.009 16 0 "[ . 1 . 2]" 2
681 1 56 GLU HG2 1 57 HIS HA . . 4.540 3.882 3.202 4.647 0.107 14 0 "[ . 1 . 2]" 2
682 1 10 ALA MB 1 11 ARG HA . . 4.290 4.251 4.188 4.326 0.036 6 0 "[ . 1 . 2]" 2
683 1 14 LYS HA 1 14 LYS QD . . 3.640 2.892 2.208 3.595 . 0 0 "[ . 1 . 2]" 2
684 1 25 LYS HA 1 25 LYS QD . . 4.120 3.426 2.900 3.465 . 0 0 "[ . 1 . 2]" 2
685 1 3 ARG QD 1 4 VAL HA . . 3.400 3.272 2.970 3.527 0.127 20 0 "[ . 1 . 2]" 2
686 1 27 PHE QD 1 32 TYR HB3 . . 3.880 2.728 2.649 2.922 . 0 0 "[ . 1 . 2]" 2
687 1 30 LEU HB3 1 32 TYR QD . . 3.340 2.215 2.023 2.349 . 0 0 "[ . 1 . 2]" 2
688 1 24 ILE HB 1 25 LYS H . . 3.960 2.572 2.523 2.588 . 0 0 "[ . 1 . 2]" 2
689 1 25 LYS HB3 1 26 VAL H . . 4.340 3.705 3.695 3.794 . 0 0 "[ . 1 . 2]" 2
690 1 48 GLY H 1 49 GLN HB3 . . 5.500 5.423 5.249 5.516 0.016 12 0 "[ . 1 . 2]" 2
691 1 27 PHE HB3 1 28 ALA H . . 3.940 3.269 3.227 3.335 . 0 0 "[ . 1 . 2]" 2
692 1 8 ILE HB 1 9 THR H . . 4.600 3.181 3.077 4.034 . 0 0 "[ . 1 . 2]" 2
693 1 49 GLN HB2 1 50 LEU H . . 3.530 2.835 2.518 3.170 . 0 0 "[ . 1 . 2]" 2
694 1 2 GLU QG 1 4 VAL H . . 5.500 5.215 4.860 5.505 0.005 19 0 "[ . 1 . 2]" 2
695 1 49 GLN QG 1 51 GLU H . . 5.500 4.843 4.297 5.589 0.089 12 0 "[ . 1 . 2]" 2
696 1 47 GLU H 1 47 GLU HB3 . . 4.070 3.602 3.335 3.752 . 0 0 "[ . 1 . 2]" 2
697 1 3 ARG HB3 1 4 VAL H . . 4.340 4.057 3.738 4.337 . 0 0 "[ . 1 . 2]" 2
698 1 3 ARG HG3 1 4 VAL H . . 4.400 4.002 3.411 4.400 . 0 0 "[ . 1 . 2]" 2
699 1 51 GLU QG 1 52 GLY H . . 3.890 2.283 1.977 3.766 . 0 0 "[ . 1 . 2]" 2
700 1 28 ALA MB 1 29 GLU H . . 3.420 2.454 2.438 2.554 . 0 0 "[ . 1 . 2]" 2
701 1 28 ALA MB 1 31 GLY H . . 4.650 4.500 4.466 4.542 . 0 0 "[ . 1 . 2]" 2
702 1 6 ILE MD 1 46 VAL MG1 . . 5.500 3.032 2.993 3.094 . 0 0 "[ . 1 . 2]" 2
703 1 6 ILE MD 1 6 ILE MG . . 2.410 2.003 1.920 2.072 . 0 0 "[ . 1 . 2]" 2
704 1 6 ILE MD 1 23 LEU MD1 . . 3.080 1.792 1.750 1.844 . 0 0 "[ . 1 . 2]" 2
705 1 6 ILE MD 1 23 LEU MD2 . . 3.080 3.101 3.084 3.119 0.039 12 0 "[ . 1 . 2]" 2
706 1 30 LEU HB2 1 30 LEU MD1 . . 3.640 2.190 1.962 2.293 . 0 0 "[ . 1 . 2]" 2
707 1 25 LYS HA 1 26 VAL MG2 . . 5.100 4.818 4.772 4.831 . 0 0 "[ . 1 . 2]" 2
708 1 13 LYS QG 1 14 LYS HA . . 3.680 3.447 3.355 3.513 . 0 0 "[ . 1 . 2]" 2
709 1 26 VAL MG1 1 27 PHE HA . . 3.910 3.834 3.722 3.894 . 0 0 "[ . 1 . 2]" 2
710 1 5 ARG HA 1 45 THR MG . . 3.990 3.936 3.818 4.047 0.057 10 0 "[ . 1 . 2]" 2
711 1 37 VAL HA 1 46 VAL MG2 . . 3.570 3.470 3.362 3.534 . 0 0 "[ . 1 . 2]" 2
712 1 33 ASN HA 1 35 ILE MD . . 3.720 3.776 3.749 3.799 0.079 8 0 "[ . 1 . 2]" 2
713 1 30 LEU MD2 1 32 TYR QE . . 4.510 3.179 2.683 3.476 . 0 0 "[ . 1 . 2]" 2
714 1 32 TYR QE 1 35 ILE MD . . 5.500 5.485 5.425 5.529 0.029 6 0 "[ . 1 . 2]" 2
715 1 35 ILE MD 1 49 GLN HE21 . . 5.500 4.288 3.797 5.188 . 0 0 "[ . 1 . 2]" 2
716 1 4 VAL MG2 1 32 TYR QE . . 4.030 1.876 1.866 1.889 . 0 0 "[ . 1 . 2]" 2
717 1 37 VAL MG2 1 46 VAL H . . 4.520 4.272 3.905 4.494 . 0 0 "[ . 1 . 2]" 2
718 1 6 ILE H 1 6 ILE HG13 . . 3.950 2.745 2.560 2.914 . 0 0 "[ . 1 . 2]" 2
719 1 6 ILE H 1 46 VAL MG2 . . 5.500 4.287 4.200 4.369 . 0 0 "[ . 1 . 2]" 2
720 1 20 ALA H 1 24 ILE MD . . 5.500 4.932 4.860 5.002 . 0 0 "[ . 1 . 2]" 2
721 1 23 LEU HB3 1 24 ILE H . . 3.870 3.027 2.948 3.096 . 0 0 "[ . 1 . 2]" 2
722 1 50 LEU H 1 50 LEU HB3 . . 3.480 2.862 2.550 3.094 . 0 0 "[ . 1 . 2]" 2
723 1 46 VAL MG2 1 47 GLU H . . 3.370 2.379 2.326 2.456 . 0 0 "[ . 1 . 2]" 2
724 1 23 LEU H 1 24 ILE HG13 . . 5.260 4.535 4.495 4.603 . 0 0 "[ . 1 . 2]" 2
725 1 32 TYR H 1 35 ILE MD . . 5.140 4.624 4.555 4.675 . 0 0 "[ . 1 . 2]" 2
726 1 26 VAL H 1 26 VAL MG1 . . 4.150 3.759 3.756 3.760 . 0 0 "[ . 1 . 2]" 2
727 1 5 ARG H 1 5 ARG QB . . 3.430 2.533 2.522 2.555 . 0 0 "[ . 1 . 2]" 2
728 1 22 ILE H 1 22 ILE MG . . 3.810 3.764 3.763 3.766 . 0 0 "[ . 1 . 2]" 2
729 1 32 TYR QD 1 35 ILE MD . . 3.970 3.755 3.675 3.824 . 0 0 "[ . 1 . 2]" 2
730 1 4 VAL HB 1 27 PHE QE . . 3.680 2.401 2.214 2.835 . 0 0 "[ . 1 . 2]" 2
731 1 27 PHE HA 1 32 TYR QD . . 3.590 3.546 3.393 3.610 0.020 10 0 "[ . 1 . 2]" 2
732 1 19 PHE HA 1 19 PHE QD . . 3.820 2.820 2.303 3.041 . 0 0 "[ . 1 . 2]" 2
733 1 50 LEU HA 1 52 GLY H . . 4.100 3.903 3.637 4.113 0.013 10 0 "[ . 1 . 2]" 2
734 1 43 THR H 1 43 THR HB . . 3.530 3.032 2.739 3.316 . 0 0 "[ . 1 . 2]" 2
735 1 15 GLU HA 1 18 LYS H . . 4.030 3.619 3.475 3.727 . 0 0 "[ . 1 . 2]" 2
736 1 19 PHE H 1 19 PHE QD . . 3.560 2.721 2.484 3.101 . 0 0 "[ . 1 . 2]" 2
737 1 21 ALA H 1 22 ILE H . . 3.780 2.840 2.787 2.883 . 0 0 "[ . 1 . 2]" 2
738 1 17 GLU H 1 17 GLU HA . . 2.880 2.797 2.788 2.843 . 0 0 "[ . 1 . 2]" 2
739 1 26 VAL HA 1 29 GLU H . . 3.930 3.688 3.628 3.727 . 0 0 "[ . 1 . 2]" 2
740 1 35 ILE MG 1 36 ASN H . . 3.320 2.534 2.503 2.611 . 0 0 "[ . 1 . 2]" 2
741 1 28 ALA MB 1 33 ASN QB . . 4.170 3.843 2.901 4.122 . 0 0 "[ . 1 . 2]" 2
742 1 50 LEU HA 1 50 LEU MD2 . . 4.160 2.782 1.936 3.886 . 0 0 "[ . 1 . 2]" 2
743 1 22 ILE HB 1 22 ILE MD . . 3.040 2.115 2.048 2.147 . 0 0 "[ . 1 . 2]" 2
744 1 39 TRP HB2 1 39 TRP HE3 . . 4.140 2.634 2.520 4.046 . 0 0 "[ . 1 . 2]" 2
745 1 27 PHE QD 1 32 TYR HB2 . . 4.410 2.082 2.012 2.217 . 0 0 "[ . 1 . 2]" 2
746 1 25 LYS H 1 25 LYS QE . . 4.200 3.557 2.891 3.629 . 0 0 "[ . 1 . 2]" 2
747 1 49 GLN HB2 1 49 GLN HE21 . . 4.780 4.364 4.198 4.633 . 0 0 "[ . 1 . 2]" 2
748 1 2 GLU HB3 1 3 ARG H . . 4.590 4.447 3.390 4.649 0.059 10 0 "[ . 1 . 2]" 2
749 1 30 LEU HB2 1 32 TYR QD . . 3.840 2.295 2.164 2.503 . 0 0 "[ . 1 . 2]" 2
750 1 27 PHE QD 1 30 LEU HB2 . . 4.510 3.616 3.369 3.755 . 0 0 "[ . 1 . 2]" 2
751 1 29 GLU H 1 30 LEU HB2 . . 4.800 4.555 4.451 4.646 . 0 0 "[ . 1 . 2]" 2
752 1 30 LEU HB2 1 32 TYR QE . . 3.960 3.534 3.384 3.809 . 0 0 "[ . 1 . 2]" 2
753 1 30 LEU HG 1 32 TYR QD . . 4.720 4.653 4.594 4.726 0.006 13 0 "[ . 1 . 2]" 2
754 1 30 LEU HG 1 32 TYR QE . . 5.490 4.995 4.871 5.265 . 0 0 "[ . 1 . 2]" 2
755 1 32 TYR QD 1 50 LEU HB2 . . 3.800 3.341 3.001 3.495 . 0 0 "[ . 1 . 2]" 2
756 1 23 LEU HB3 1 27 PHE QD . . 4.290 2.939 2.866 3.059 . 0 0 "[ . 1 . 2]" 2
757 1 32 TYR QE 1 50 LEU HB2 . . 4.640 2.668 2.450 2.980 . 0 0 "[ . 1 . 2]" 2
758 1 32 TYR QE 1 50 LEU HG . . 5.300 3.753 2.856 5.016 . 0 0 "[ . 1 . 2]" 2
759 1 5 ARG H 1 46 VAL MG1 . . 5.320 5.347 5.312 5.380 0.060 11 0 "[ . 1 . 2]" 2
760 1 32 TYR QE 1 50 LEU MD1 . . 4.020 3.026 2.260 4.145 0.125 20 0 "[ . 1 . 2]" 2
761 1 30 LEU MD1 1 32 TYR QD . . 4.560 3.596 3.409 3.704 . 0 0 "[ . 1 . 2]" 2
762 1 6 ILE MD 1 27 PHE QD . . 4.630 4.144 4.037 4.271 . 0 0 "[ . 1 . 2]" 2
763 1 27 PHE QE 1 47 GLU HA . . 5.500 5.422 5.335 5.513 0.013 20 0 "[ . 1 . 2]" 2
764 1 49 GLN HA 1 49 GLN HE21 . . 5.500 4.768 4.276 5.503 0.003 20 0 "[ . 1 . 2]" 2
765 1 39 TRP HA 1 39 TRP HE3 . . 4.590 4.328 3.424 4.469 . 0 0 "[ . 1 . 2]" 2
766 1 39 TRP HA 1 39 TRP HD1 . . 4.570 4.326 4.058 4.454 . 0 0 "[ . 1 . 2]" 2
767 1 4 VAL HA 1 32 TYR QE . . 5.500 5.031 4.815 5.191 . 0 0 "[ . 1 . 2]" 2
768 1 4 VAL HA 1 27 PHE QE . . 5.500 5.006 4.811 5.364 . 0 0 "[ . 1 . 2]" 2
769 1 39 TRP HD1 1 44 VAL HA . . 5.500 5.392 5.159 5.543 0.043 6 0 "[ . 1 . 2]" 2
770 1 27 PHE QD 1 32 TYR HA . . 4.800 4.680 4.659 4.757 . 0 0 "[ . 1 . 2]" 2
771 1 32 TYR HA 1 32 TYR QE . . 5.250 4.687 4.671 4.710 . 0 0 "[ . 1 . 2]" 2
772 1 30 LEU HA 1 32 TYR QD . . 4.010 3.959 3.929 4.039 0.029 14 0 "[ . 1 . 2]" 2
773 1 30 LEU HA 1 32 TYR QE . . 5.080 4.267 4.204 4.474 . 0 0 "[ . 1 . 2]" 2
774 1 34 ASP HA 1 49 GLN HE21 . . 5.500 5.247 4.879 5.506 0.006 10 0 "[ . 1 . 2]" 2
775 1 32 TYR QE 1 50 LEU HA . . 4.960 4.627 4.364 4.952 . 0 0 "[ . 1 . 2]" 2
776 1 43 THR HB 1 45 THR H . . 5.500 5.487 5.343 5.539 0.039 20 0 "[ . 1 . 2]" 2
777 1 27 PHE HA 1 32 TYR QE . . 5.210 5.057 4.918 5.212 0.002 20 0 "[ . 1 . 2]" 2
778 1 19 PHE HA 1 22 ILE H . . 4.140 3.545 3.490 3.615 . 0 0 "[ . 1 . 2]" 2
779 1 24 ILE HA 1 27 PHE QD . . 4.780 3.084 2.870 3.237 . 0 0 "[ . 1 . 2]" 2
780 1 39 TRP HE3 1 42 ASP HA . . 5.140 4.793 3.360 5.140 . 19 0 "[ . 1 . 2]" 2
781 1 3 ARG HA 1 32 TYR QD . . 5.500 4.867 4.517 5.170 . 0 0 "[ . 1 . 2]" 2
782 1 3 ARG HA 1 32 TYR QE . . 5.290 4.500 3.947 4.983 . 0 0 "[ . 1 . 2]" 2
783 1 32 TYR QE 1 49 GLN HA . . 5.040 4.357 4.012 5.040 0.000 12 0 "[ . 1 . 2]" 2
784 1 3 ARG HA 1 49 GLN HA . . 3.470 2.695 2.374 2.927 . 0 0 "[ . 1 . 2]" 2
785 1 7 SER HA 1 45 THR HA . . 2.910 1.984 1.950 2.063 . 0 0 "[ . 1 . 2]" 2
786 1 46 VAL HA 1 47 GLU HA . . 4.480 4.406 4.395 4.410 . 0 0 "[ . 1 . 2]" 2
787 1 44 VAL HA 1 45 THR HA . . 4.610 4.408 4.396 4.419 . 0 0 "[ . 1 . 2]" 2
788 1 39 TRP HA 1 44 VAL HA . . 3.210 2.425 1.999 3.208 . 0 0 "[ . 1 . 2]" 2
789 1 38 THR HB 1 39 TRP HA . . 4.960 4.648 4.523 5.025 0.065 6 0 "[ . 1 . 2]" 2
790 1 7 SER HA 1 45 THR HB . . 4.720 4.415 4.282 4.760 0.040 6 0 "[ . 1 . 2]" 2
791 1 2 GLU QG 1 3 ARG HA . . 4.880 4.087 3.725 4.398 . 0 0 "[ . 1 . 2]" 2
792 1 3 ARG HA 1 49 GLN HB2 . . 5.370 4.211 3.845 4.763 . 0 0 "[ . 1 . 2]" 2
793 1 3 ARG HA 1 49 GLN HB3 . . 5.500 4.264 3.813 4.984 . 0 0 "[ . 1 . 2]" 2
794 1 3 ARG HB2 1 49 GLN HA . . 5.500 4.380 3.903 4.918 . 0 0 "[ . 1 . 2]" 2
795 1 7 SER HA 1 46 VAL HB . . 5.500 5.530 5.516 5.549 0.049 13 0 "[ . 1 . 2]" 2
796 1 3 ARG HB3 1 49 GLN HA . . 5.500 5.491 5.164 5.525 0.025 10 0 "[ . 1 . 2]" 2
797 1 5 ARG QB 1 47 GLU HA . . 4.190 3.192 2.944 3.427 . 0 0 "[ . 1 . 2]" 2
798 1 3 ARG HG2 1 49 GLN HA . . 5.500 3.946 3.357 5.416 . 0 0 "[ . 1 . 2]" 2
799 1 35 ILE HG13 1 47 GLU HA . . 4.910 4.452 4.292 4.517 . 0 0 "[ . 1 . 2]" 2
800 1 6 ILE HB 1 45 THR HA . . 5.500 5.208 5.101 5.289 . 0 0 "[ . 1 . 2]" 2
801 1 28 ALA MB 1 33 ASN HA . . 3.940 3.509 2.955 3.743 . 0 0 "[ . 1 . 2]" 2
802 1 6 ILE HA 1 6 ILE HG13 . . 3.660 3.083 3.003 3.190 . 0 0 "[ . 1 . 2]" 2
803 1 35 ILE HG13 1 36 ASN HA . . 5.470 5.251 5.207 5.315 . 0 0 "[ . 1 . 2]" 2
804 1 9 THR MG 1 43 THR HA . . 4.350 3.674 2.971 4.366 0.016 19 0 "[ . 1 . 2]" 2
805 1 43 THR HA 1 43 THR MG . . 3.510 2.052 1.970 2.299 . 0 0 "[ . 1 . 2]" 2
806 1 45 THR HA 1 45 THR MG . . 3.630 2.283 2.201 2.399 . 0 0 "[ . 1 . 2]" 2
807 1 37 VAL MG2 1 39 TRP HA . . 4.640 4.422 4.024 4.546 . 0 0 "[ . 1 . 2]" 2
808 1 37 VAL HA 1 37 VAL MG2 . . 3.280 2.248 2.203 2.361 . 0 0 "[ . 1 . 2]" 2
809 1 46 VAL MG1 1 47 GLU HA . . 4.120 3.755 3.699 3.792 . 0 0 "[ . 1 . 2]" 2
810 1 37 VAL HA 1 37 VAL MG1 . . 3.380 3.200 3.187 3.203 . 0 0 "[ . 1 . 2]" 2
811 1 6 ILE MG 1 7 SER HA . . 4.620 3.835 3.766 3.905 . 0 0 "[ . 1 . 2]" 2
812 1 6 ILE MG 1 45 THR HA . . 5.500 4.917 4.838 5.064 . 0 0 "[ . 1 . 2]" 2
813 1 8 ILE MD 1 45 THR HA . . 5.500 5.043 4.786 5.301 . 0 0 "[ . 1 . 2]" 2
814 1 6 ILE HA 1 6 ILE MG . . 3.230 2.311 2.276 2.377 . 0 0 "[ . 1 . 2]" 2
815 1 35 ILE MG 1 36 ASN HA . . 3.800 3.149 3.050 3.206 . 0 0 "[ . 1 . 2]" 2
816 1 46 VAL MG2 1 47 GLU HA . . 5.010 3.783 3.751 3.846 . 0 0 "[ . 1 . 2]" 2
817 1 23 LEU HA 1 26 VAL MG2 . . 3.250 2.388 2.263 2.405 . 0 0 "[ . 1 . 2]" 2
818 1 4 VAL HA 1 4 VAL MG1 . . 3.690 2.365 2.315 2.398 . 0 0 "[ . 1 . 2]" 2
819 1 21 ALA HA 1 24 ILE MD . . 3.070 1.932 1.906 1.981 . 0 0 "[ . 1 . 2]" 2
820 1 55 LEU HA 1 55 LEU MD2 . . 4.180 2.568 2.330 2.797 . 0 0 "[ . 1 . 2]" 2
821 1 35 ILE HA 1 35 ILE MD . . 3.160 2.502 2.467 2.569 . 0 0 "[ . 1 . 2]" 2
822 1 8 ILE HA 1 8 ILE MG . . 3.000 2.324 2.254 2.352 . 0 0 "[ . 1 . 2]" 2
823 1 8 ILE MD 1 16 ALA HA . . 2.880 2.346 1.972 2.901 0.021 19 0 "[ . 1 . 2]" 2
824 1 35 ILE HA 1 35 ILE MG . . 3.190 2.969 2.959 2.979 . 0 0 "[ . 1 . 2]" 2
825 1 30 LEU HA 1 30 LEU MD1 . . 4.630 3.853 3.776 3.890 . 0 0 "[ . 1 . 2]" 2
826 1 22 ILE H 1 23 LEU HA . . 5.300 5.272 5.249 5.314 0.014 12 0 "[ . 1 . 2]" 2
827 1 38 THR HA 1 39 TRP HD1 . . 4.590 3.698 3.483 3.912 . 0 0 "[ . 1 . 2]" 2
828 1 32 TYR HA 1 32 TYR QD . . 4.060 3.148 3.134 3.161 . 0 0 "[ . 1 . 2]" 2
829 1 32 TYR QD 1 50 LEU HA . . 4.600 4.105 3.762 4.527 . 0 0 "[ . 1 . 2]" 2
830 1 25 LYS HB3 1 29 GLU H . . 5.290 5.035 4.951 5.122 . 0 0 "[ . 1 . 2]" 2
831 1 23 LEU H 1 25 LYS HB2 . . 5.500 5.508 5.470 5.544 0.044 14 0 "[ . 1 . 2]" 2
832 1 54 SER H 1 55 LEU MD1 . . 5.240 5.108 4.569 5.246 0.006 20 0 "[ . 1 . 2]" 2
833 1 54 SER H 1 55 LEU MD2 . . 5.240 3.611 2.622 4.014 . 0 0 "[ . 1 . 2]" 2
834 1 4 VAL MG2 1 32 TYR QD . . 4.380 3.233 3.213 3.287 . 0 0 "[ . 1 . 2]" 2
835 1 37 VAL MG1 1 39 TRP HD1 . . 4.380 3.497 3.047 4.383 0.003 6 0 "[ . 1 . 2]" 2
836 1 4 VAL MG1 1 32 TYR QD . . 4.380 4.417 4.394 4.458 0.078 11 0 "[ . 1 . 2]" 2
837 1 23 LEU HG 1 27 PHE QE . . 3.660 3.598 3.379 3.668 0.008 17 0 "[ . 1 . 2]" 2
838 1 6 ILE HG13 1 27 PHE QE . . 4.530 3.410 3.144 3.640 . 0 0 "[ . 1 . 2]" 2
839 1 23 LEU HB3 1 27 PHE QE . . 4.740 3.315 3.105 3.512 . 0 0 "[ . 1 . 2]" 2
840 1 4 VAL MG1 1 27 PHE QE . . 3.830 2.053 1.953 2.366 . 0 0 "[ . 1 . 2]" 2
841 1 23 LEU MD1 1 27 PHE QE . . 3.410 1.958 1.921 1.994 . 0 0 "[ . 1 . 2]" 2
842 1 27 PHE QE 1 46 VAL MG1 . . 2.640 1.957 1.880 2.084 . 0 0 "[ . 1 . 2]" 2
843 1 4 VAL MG1 1 32 TYR QE . . 4.030 4.031 3.918 4.116 0.086 19 0 "[ . 1 . 2]" 2
844 1 32 TYR QE 1 50 LEU MD2 . . 4.020 3.214 2.657 4.021 0.001 5 0 "[ . 1 . 2]" 2
845 1 30 LEU MD1 1 32 TYR QE . . 4.510 3.525 3.256 3.924 . 0 0 "[ . 1 . 2]" 2
846 1 6 ILE MD 1 27 PHE QE . . 3.480 2.547 2.409 2.701 . 0 0 "[ . 1 . 2]" 2
847 1 6 ILE HA 1 45 THR MG . . 4.740 3.929 3.682 4.517 . 0 0 "[ . 1 . 2]" 2
848 1 3 ARG HG3 1 49 GLN HA . . 5.500 4.930 4.360 5.385 . 0 0 "[ . 1 . 2]" 2
849 1 27 PHE HA 1 32 TYR HA . . 5.500 5.645 5.629 5.665 0.165 1 0 "[ . 1 . 2]" 2
850 1 5 ARG HA 1 5 ARG QD . . 4.100 4.016 3.903 4.111 0.011 13 0 "[ . 1 . 2]" 2
851 1 5 ARG HA 1 47 GLU HG2 . . 4.540 3.564 3.138 3.952 . 0 0 "[ . 1 . 2]" 2
852 1 5 ARG HA 1 47 GLU HG3 . . 4.540 4.078 3.493 4.421 . 0 0 "[ . 1 . 2]" 2
853 1 37 VAL HA 1 46 VAL HB . . 4.480 4.392 4.136 4.487 0.007 14 0 "[ . 1 . 2]" 2
854 1 28 ALA HA 1 35 ILE MD . . 4.640 4.477 4.399 4.541 . 0 0 "[ . 1 . 2]" 2
855 1 55 LEU HA 1 55 LEU MD1 . . 4.180 2.096 1.971 2.260 . 0 0 "[ . 1 . 2]" 2
856 1 37 VAL MG2 1 44 VAL HA . . 3.780 3.736 3.254 3.818 0.038 19 0 "[ . 1 . 2]" 2
857 1 11 ARG HA 1 11 ARG QG . . 3.500 2.787 2.295 3.344 . 0 0 "[ . 1 . 2]" 2
858 1 29 GLU HA 1 29 GLU HB2 . . 2.980 2.313 2.294 2.413 . 0 0 "[ . 1 . 2]" 2
859 1 17 GLU HA 1 17 GLU HG3 . . 3.630 3.293 2.459 3.610 . 0 0 "[ . 1 . 2]" 2
860 1 29 GLU HA 1 29 GLU HB3 . . 3.010 2.612 2.482 2.641 . 0 0 "[ . 1 . 2]" 2
861 1 27 PHE HA 1 30 LEU HB2 . . 3.270 2.438 2.407 2.474 . 0 0 "[ . 1 . 2]" 2
862 1 18 LYS HA 1 18 LYS QD . . 2.790 2.711 2.297 2.791 0.001 4 0 "[ . 1 . 2]" 2
863 1 18 LYS HA 1 18 LYS HG2 . . 3.070 2.612 2.459 2.744 . 0 0 "[ . 1 . 2]" 2
864 1 23 LEU HA 1 26 VAL MG1 . . 4.280 4.214 4.181 4.243 . 0 0 "[ . 1 . 2]" 2
865 1 23 LEU HA 1 23 LEU MD2 . . 4.120 2.139 2.031 2.245 . 0 0 "[ . 1 . 2]" 2
866 1 16 ALA HA 1 44 VAL MG2 . . 5.500 4.339 3.191 5.510 0.010 12 0 "[ . 1 . 2]" 2
867 1 26 VAL HA 1 26 VAL MG1 . . 3.170 2.243 2.153 2.346 . 0 0 "[ . 1 . 2]" 2
868 1 22 ILE HA 1 22 ILE MG . . 2.940 2.334 2.311 2.350 . 0 0 "[ . 1 . 2]" 2
869 1 4 VAL HA 1 4 VAL MG2 . . 3.690 2.408 2.372 2.453 . 0 0 "[ . 1 . 2]" 2
870 1 32 TYR HA 1 50 LEU MD1 . . 5.290 4.002 2.679 5.294 0.004 11 0 "[ . 1 . 2]" 2
871 1 26 VAL HA 1 29 GLU HG3 . . 4.150 2.988 2.870 3.304 . 0 0 "[ . 1 . 2]" 2
872 1 24 ILE HA 1 24 ILE HG12 . . 3.020 2.865 2.839 2.893 . 0 0 "[ . 1 . 2]" 2
873 1 27 PHE HA 1 32 TYR HB3 . . 4.640 4.250 4.215 4.343 . 0 0 "[ . 1 . 2]" 2
874 1 51 GLU HA 1 51 GLU QG . . 3.400 3.303 2.591 3.395 . 0 0 "[ . 1 . 2]" 2
875 1 56 GLU HB2 1 57 HIS HA . . 5.500 5.022 4.007 5.655 0.155 12 0 "[ . 1 . 2]" 2
876 1 56 GLU HB3 1 57 HIS HA . . 5.500 5.237 4.070 5.800 0.300 19 0 "[ . 1 . 2]" 2
877 1 25 LYS HA 1 25 LYS HB3 . . 2.910 2.441 2.420 2.446 . 0 0 "[ . 1 . 2]" 2
878 1 25 LYS HA 1 25 LYS HG2 . . 3.260 2.747 2.730 2.970 . 0 0 "[ . 1 . 2]" 2
879 1 25 LYS HA 1 28 ALA MB . . 3.440 2.749 2.670 2.832 . 0 0 "[ . 1 . 2]" 2
880 1 17 GLU HA 1 20 ALA MB . . 2.640 2.513 2.296 2.643 0.003 15 0 "[ . 1 . 2]" 2
881 1 35 ILE MD 1 48 GLY HA2 . . 4.300 2.453 2.257 2.662 . 0 0 "[ . 1 . 2]" 2
882 1 27 PHE HB2 1 35 ILE MD . . 2.810 2.688 2.560 2.761 . 0 0 "[ . 1 . 2]" 2
883 1 24 ILE HA 1 24 ILE MG . . 3.250 2.343 2.311 2.381 . 0 0 "[ . 1 . 2]" 2
884 1 24 ILE HA 1 35 ILE MG . . 4.160 3.450 3.127 3.613 . 0 0 "[ . 1 . 2]" 2
885 1 3 ARG HB2 1 3 ARG QD . . 3.570 3.328 2.443 3.488 . 0 0 "[ . 1 . 2]" 2
886 1 3 ARG HB3 1 3 ARG QD . . 3.570 2.352 1.978 3.303 . 0 0 "[ . 1 . 2]" 2
887 1 32 TYR HB3 1 35 ILE MD . . 3.810 2.509 2.448 2.543 . 0 0 "[ . 1 . 2]" 2
888 1 30 LEU HB3 1 30 LEU MD1 . . 3.570 2.531 2.429 2.700 . 0 0 "[ . 1 . 2]" 2
889 1 6 ILE MD 1 23 LEU HG . . 4.320 3.068 2.970 3.201 . 0 0 "[ . 1 . 2]" 2
890 1 35 ILE HB 1 35 ILE MD . . 2.660 2.214 2.179 2.235 . 0 0 "[ . 1 . 2]" 2
891 1 38 THR HA 1 38 THR MG . . 3.140 2.292 2.237 2.424 . 0 0 "[ . 1 . 2]" 2
892 1 35 ILE HA 1 35 ILE HG13 . . 3.690 2.135 2.109 2.149 . 0 0 "[ . 1 . 2]" 2
893 1 2 GLU QB 1 3 ARG HA . . 5.310 4.635 4.127 4.752 . 0 0 "[ . 1 . 2]" 2
894 1 2 GLU QB 1 32 TYR QE . . 5.340 4.500 4.007 4.984 . 0 0 "[ . 1 . 2]" 2
895 1 2 GLU QB 1 50 LEU HB2 . . 4.040 3.697 2.878 4.119 0.079 20 0 "[ . 1 . 2]" 2
896 1 2 GLU QB 1 50 LEU HB3 . . 4.400 2.835 1.989 3.781 . 0 0 "[ . 1 . 2]" 2
897 1 2 GLU QB 1 50 LEU QD . . 4.830 3.432 2.513 4.458 . 0 0 "[ . 1 . 2]" 2
898 1 2 GLU QG 1 4 VAL QG . . 4.810 3.683 2.743 4.816 0.006 6 0 "[ . 1 . 2]" 2
899 1 2 GLU QG 1 50 LEU QD . . 4.540 3.386 1.937 4.539 . 0 0 "[ . 1 . 2]" 2
900 1 3 ARG H 1 3 ARG QB . . 3.120 2.341 2.272 2.510 . 0 0 "[ . 1 . 2]" 2
901 1 3 ARG H 1 3 ARG QG . . 4.250 4.090 3.959 4.151 . 0 0 "[ . 1 . 2]" 2
902 1 3 ARG HA 1 4 VAL QG . . 4.540 3.410 3.309 3.557 . 0 0 "[ . 1 . 2]" 2
903 1 3 ARG QB 1 3 ARG QD . . 2.820 2.269 1.958 2.497 . 0 0 "[ . 1 . 2]" 2
904 1 3 ARG QB 1 4 VAL H . . 3.790 3.610 3.479 3.799 0.009 9 0 "[ . 1 . 2]" 2
905 1 3 ARG QG 1 4 VAL H . . 3.750 2.369 2.009 3.303 . 0 0 "[ . 1 . 2]" 2
906 1 3 ARG QG 1 48 GLY H . . 5.100 3.872 3.421 4.931 . 0 0 "[ . 1 . 2]" 2
907 1 3 ARG QG 1 49 GLN HA . . 4.730 3.781 3.286 4.811 0.081 20 0 "[ . 1 . 2]" 2
908 1 4 VAL H 1 4 VAL QG . . 3.400 2.663 2.432 2.768 . 0 0 "[ . 1 . 2]" 2
909 1 4 VAL QG 1 5 ARG H . . 3.760 2.493 2.328 2.705 . 0 0 "[ . 1 . 2]" 2
910 1 4 VAL QG 1 6 ILE H . . 5.000 4.085 3.817 4.268 . 0 0 "[ . 1 . 2]" 2
911 1 4 VAL QG 1 6 ILE HB . . 5.110 4.639 4.448 4.857 . 0 0 "[ . 1 . 2]" 2
912 1 4 VAL QG 1 6 ILE HG13 . . 4.530 2.647 2.450 2.850 . 0 0 "[ . 1 . 2]" 2
913 1 4 VAL QG 1 27 PHE QD . . 4.290 3.821 3.657 4.014 . 0 0 "[ . 1 . 2]" 2
914 1 4 VAL QG 1 27 PHE QE . . 2.650 2.017 1.913 2.279 . 0 0 "[ . 1 . 2]" 2
915 1 4 VAL QG 1 32 TYR QD . . 3.120 3.157 3.139 3.206 0.086 20 0 "[ . 1 . 2]" 2
916 1 4 VAL QG 1 32 TYR QE . . 3.190 1.873 1.863 1.886 . 0 0 "[ . 1 . 2]" 2
917 1 4 VAL QG 1 48 GLY H . . 4.890 4.090 3.913 4.206 . 0 0 "[ . 1 . 2]" 2
918 1 5 ARG H 1 5 ARG QG . . 5.050 4.068 3.991 4.138 . 0 0 "[ . 1 . 2]" 2
919 1 5 ARG HA 1 5 ARG QG . . 3.090 2.531 2.496 2.554 . 0 0 "[ . 1 . 2]" 2
920 1 5 ARG HA 1 47 GLU QG . . 3.900 3.326 3.025 3.619 . 0 0 "[ . 1 . 2]" 2
921 1 5 ARG QG 1 6 ILE H . . 3.460 2.748 2.484 3.002 . 0 0 "[ . 1 . 2]" 2
922 1 5 ARG QG 1 7 SER H . . 5.340 4.238 4.070 4.523 . 0 0 "[ . 1 . 2]" 2
923 1 5 ARG QG 1 45 THR HB . . 4.810 4.007 3.832 4.646 . 0 0 "[ . 1 . 2]" 2
924 1 5 ARG QG 1 45 THR MG . . 3.130 1.922 1.841 2.225 . 0 0 "[ . 1 . 2]" 2
925 1 5 ARG QG 1 46 VAL H . . 4.620 3.917 3.629 4.146 . 0 0 "[ . 1 . 2]" 2
926 1 5 ARG QG 1 47 GLU HA . . 4.460 3.298 3.060 3.676 . 0 0 "[ . 1 . 2]" 2
927 1 6 ILE HA 1 7 SER QB . . 4.770 4.695 4.025 4.747 . 0 0 "[ . 1 . 2]" 2
928 1 6 ILE MG 1 23 LEU QD . . 3.180 2.867 2.700 2.957 . 0 0 "[ . 1 . 2]" 2
929 1 6 ILE MD 1 23 LEU QD . . 2.690 1.781 1.741 1.830 . 0 0 "[ . 1 . 2]" 2
930 1 7 SER H 1 7 SER QB . . 3.400 2.956 2.380 3.082 . 0 0 "[ . 1 . 2]" 2
931 1 7 SER HA 1 44 VAL QG . . 5.440 4.192 3.734 4.403 . 0 0 "[ . 1 . 2]" 2
932 1 7 SER QB 1 8 ILE H . . 3.610 3.273 3.095 3.702 0.092 20 0 "[ . 1 . 2]" 2
933 1 7 SER QB 1 43 THR MG . . 3.200 3.177 3.080 3.220 0.020 20 0 "[ . 1 . 2]" 2
934 1 7 SER QB 1 45 THR HA . . 3.370 3.184 3.067 3.322 . 0 0 "[ . 1 . 2]" 2
935 1 7 SER QB 1 45 THR MG . . 4.110 2.406 1.921 3.096 . 0 0 "[ . 1 . 2]" 2
936 1 8 ILE H 1 44 VAL QG . . 2.990 2.967 2.498 3.032 0.042 11 0 "[ . 1 . 2]" 2
937 1 8 ILE HA 1 8 ILE QG . . 3.500 3.228 2.493 3.356 . 0 0 "[ . 1 . 2]" 2
938 1 8 ILE HB 1 44 VAL QG . . 4.040 3.837 1.900 4.195 0.155 10 0 "[ . 1 . 2]" 2
939 1 8 ILE QG 1 8 ILE MG . . 3.030 2.312 1.900 2.364 . 0 0 "[ . 1 . 2]" 2
940 1 8 ILE QG 1 9 THR H . . 4.900 3.911 3.845 4.332 . 0 0 "[ . 1 . 2]" 2
941 1 8 ILE QG 1 44 VAL QG . . 3.200 1.941 1.796 3.066 . 0 0 "[ . 1 . 2]" 2
942 1 8 ILE MD 1 44 VAL QG . . 4.460 2.113 1.857 2.411 . 0 0 "[ . 1 . 2]" 2
943 1 9 THR MG 1 42 ASP QB . . 4.740 4.672 4.159 4.812 0.072 6 0 "[ . 1 . 2]" 2
944 1 11 ARG H 1 11 ARG QD . . 4.800 3.975 2.106 4.394 . 0 0 "[ . 1 . 2]" 2
945 1 11 ARG HA 1 11 ARG QD . . 4.830 4.036 2.025 4.602 . 0 0 "[ . 1 . 2]" 2
946 1 11 ARG QD 1 12 THR HB . . 4.880 4.795 4.310 4.922 0.042 19 0 "[ . 1 . 2]" 2
947 1 13 LYS QB 1 17 GLU QB . . 5.010 4.419 4.158 4.690 . 0 0 "[ . 1 . 2]" 2
948 1 14 LYS H 1 14 LYS QB . . 2.770 2.221 2.037 2.496 . 0 0 "[ . 1 . 2]" 2
949 1 14 LYS H 1 14 LYS QG . . 3.840 3.058 2.058 3.826 . 0 0 "[ . 1 . 2]" 2
950 1 14 LYS HA 1 14 LYS QG . . 2.850 2.444 2.057 2.830 . 0 0 "[ . 1 . 2]" 2
951 1 14 LYS HA 1 17 GLU QB . . 3.270 2.577 2.377 2.972 . 0 0 "[ . 1 . 2]" 2
952 1 14 LYS HA 1 17 GLU QG . . 4.110 3.583 2.991 4.090 . 0 0 "[ . 1 . 2]" 2
953 1 14 LYS QB 1 15 GLU H . . 3.530 2.702 2.567 2.828 . 0 0 "[ . 1 . 2]" 2
954 1 14 LYS QB 1 17 GLU QB . . 4.760 4.384 4.115 4.793 0.033 18 0 "[ . 1 . 2]" 2
955 1 14 LYS QE 1 14 LYS QG . . 2.950 2.093 1.961 2.317 . 0 0 "[ . 1 . 2]" 2
956 1 14 LYS QG 1 15 GLU H . . 4.890 4.333 3.998 4.629 . 0 0 "[ . 1 . 2]" 2
957 1 16 ALA HA 1 17 GLU QB . . 5.340 5.279 5.225 5.334 . 0 0 "[ . 1 . 2]" 2
958 1 16 ALA HA 1 44 VAL QG . . 4.030 3.503 3.021 3.727 . 0 0 "[ . 1 . 2]" 2
959 1 16 ALA MB 1 44 VAL QG . . 4.150 1.819 1.749 2.002 . 0 0 "[ . 1 . 2]" 2
960 1 17 GLU H 1 17 GLU QB . . 3.350 2.144 2.053 2.245 . 0 0 "[ . 1 . 2]" 2
961 1 17 GLU H 1 17 GLU QG . . 3.500 2.999 2.755 3.512 0.012 16 0 "[ . 1 . 2]" 2
962 1 17 GLU QB 1 18 LYS H . . 3.560 2.762 2.650 3.315 . 0 0 "[ . 1 . 2]" 2
963 1 17 GLU QB 1 20 ALA MB . . 5.340 4.189 3.750 4.409 . 0 0 "[ . 1 . 2]" 2
964 1 17 GLU QG 1 18 LYS H . . 4.700 4.173 2.154 4.549 . 0 0 "[ . 1 . 2]" 2
965 1 17 GLU QG 1 20 ALA MB . . 4.630 3.897 3.418 4.638 0.008 18 0 "[ . 1 . 2]" 2
966 1 18 LYS QB 1 18 LYS QE . . 3.820 3.593 3.487 3.738 . 0 0 "[ . 1 . 2]" 2
967 1 18 LYS QE 1 18 LYS HG2 . . 3.420 2.387 2.043 2.901 . 0 0 "[ . 1 . 2]" 2
968 1 18 LYS QE 1 18 LYS HG3 . . 3.580 2.470 2.163 3.046 . 0 0 "[ . 1 . 2]" 2
969 1 19 PHE HA 1 23 LEU QD . . 5.440 4.170 3.818 4.312 . 0 0 "[ . 1 . 2]" 2
970 1 19 PHE HB3 1 23 LEU QD . . 5.140 3.281 2.989 3.535 . 0 0 "[ . 1 . 2]" 2
971 1 19 PHE QD 1 23 LEU QD . . 3.720 3.537 3.376 3.750 0.030 6 0 "[ . 1 . 2]" 2
972 1 20 ALA H 1 23 LEU QD . . 5.440 4.939 4.783 5.026 . 0 0 "[ . 1 . 2]" 2
973 1 20 ALA H 1 44 VAL QG . . 4.630 4.281 3.854 4.555 . 0 0 "[ . 1 . 2]" 2
974 1 20 ALA HA 1 23 LEU QD . . 3.790 3.772 3.687 3.811 0.021 12 0 "[ . 1 . 2]" 2
975 1 20 ALA MB 1 44 VAL QG . . 3.610 3.125 2.626 3.521 . 0 0 "[ . 1 . 2]" 2
976 1 23 LEU H 1 23 LEU QD . . 3.790 2.660 2.545 2.727 . 0 0 "[ . 1 . 2]" 2
977 1 23 LEU HA 1 23 LEU QD . . 3.100 1.894 1.859 1.933 . 0 0 "[ . 1 . 2]" 2
978 1 23 LEU QD 1 26 VAL H . . 5.440 4.211 4.198 4.228 . 0 0 "[ . 1 . 2]" 2
979 1 23 LEU QD 1 26 VAL HB . . 3.060 2.992 2.945 3.063 0.003 8 0 "[ . 1 . 2]" 2
980 1 23 LEU QD 1 27 PHE QD . . 3.130 2.756 2.617 2.910 . 0 0 "[ . 1 . 2]" 2
981 1 26 VAL HA 1 29 GLU QG . . 3.580 2.288 1.972 2.439 . 0 0 "[ . 1 . 2]" 2
982 1 26 VAL HA 1 30 LEU QD . . 5.310 3.760 3.648 4.138 . 0 0 "[ . 1 . 2]" 2
983 1 26 VAL MG1 1 30 LEU QD . . 4.310 1.959 1.832 2.270 . 0 0 "[ . 1 . 2]" 2
984 1 27 PHE HA 1 30 LEU QD . . 4.370 2.442 2.156 2.769 . 0 0 "[ . 1 . 2]" 2
985 1 28 ALA HA 1 31 GLY QA . . 5.080 4.350 4.274 4.430 . 0 0 "[ . 1 . 2]" 2
986 1 28 ALA MB 1 33 ASN QD . . 5.310 4.291 2.512 5.358 0.048 19 0 "[ . 1 . 2]" 2
987 1 29 GLU H 1 29 GLU QG . . 3.130 2.671 2.228 2.753 . 0 0 "[ . 1 . 2]" 2
988 1 29 GLU H 1 30 LEU QD . . 5.440 4.681 4.545 4.890 . 0 0 "[ . 1 . 2]" 2
989 1 29 GLU HA 1 29 GLU QG . . 3.520 3.391 3.336 3.398 . 0 0 "[ . 1 . 2]" 2
990 1 29 GLU HB3 1 30 LEU QD . . 5.220 5.195 5.105 5.236 0.016 6 0 "[ . 1 . 2]" 2
991 1 29 GLU QG 1 30 LEU H . . 3.550 2.412 2.385 2.571 . 0 0 "[ . 1 . 2]" 2
992 1 29 GLU QG 1 30 LEU QD . . 3.140 3.136 2.984 3.166 0.026 15 0 "[ . 1 . 2]" 2
993 1 30 LEU H 1 30 LEU QD . . 3.640 3.373 3.284 3.475 . 0 0 "[ . 1 . 2]" 2
994 1 30 LEU H 1 31 GLY QA . . 4.830 4.321 4.299 4.344 . 0 0 "[ . 1 . 2]" 2
995 1 30 LEU HA 1 30 LEU QD . . 3.320 2.284 2.108 2.482 . 0 0 "[ . 1 . 2]" 2
996 1 30 LEU HA 1 31 GLY QA . . 4.580 4.163 4.145 4.186 . 0 0 "[ . 1 . 2]" 2
997 1 30 LEU HB2 1 30 LEU QD . . 3.120 2.152 1.943 2.242 . 0 0 "[ . 1 . 2]" 2
998 1 30 LEU HB3 1 50 LEU QD . . 4.750 3.908 3.568 4.633 . 0 0 "[ . 1 . 2]" 2
999 1 30 LEU QD 1 31 GLY H . . 5.020 4.468 4.423 4.547 . 0 0 "[ . 1 . 2]" 2
1000 1 30 LEU QD 1 32 TYR H . . 5.440 4.467 4.389 4.525 . 0 0 "[ . 1 . 2]" 2
1001 1 30 LEU QD 1 32 TYR QD . . 3.520 3.363 3.243 3.429 . 0 0 "[ . 1 . 2]" 2
1002 1 30 LEU QD 1 32 TYR QE . . 3.640 2.943 2.627 3.183 . 0 0 "[ . 1 . 2]" 2
1003 1 31 GLY QA 1 32 TYR HA . . 5.010 4.040 4.036 4.044 . 0 0 "[ . 1 . 2]" 2
1004 1 31 GLY QA 1 32 TYR QD . . 5.130 3.653 3.602 3.743 . 0 0 "[ . 1 . 2]" 2
1005 1 31 GLY QA 1 33 ASN H . . 4.670 3.193 3.156 3.220 . 0 0 "[ . 1 . 2]" 2
1006 1 31 GLY QA 1 50 LEU HG . . 5.340 4.721 3.581 5.338 . 0 0 "[ . 1 . 2]" 2
1007 1 31 GLY QA 1 50 LEU QD . . 4.020 2.802 2.362 3.262 . 0 0 "[ . 1 . 2]" 2
1008 1 32 TYR H 1 50 LEU QD . . 5.440 3.748 3.260 4.503 . 0 0 "[ . 1 . 2]" 2
1009 1 32 TYR HA 1 50 LEU QD . . 3.850 2.826 1.982 3.626 . 0 0 "[ . 1 . 2]" 2
1010 1 32 TYR QD 1 48 GLY QA . . 4.880 3.279 3.174 3.396 . 0 0 "[ . 1 . 2]" 2
1011 1 32 TYR QD 1 50 LEU QD . . 3.600 2.951 2.480 3.609 0.009 1 0 "[ . 1 . 2]" 2
1012 1 32 TYR QE 1 50 LEU QD . . 3.400 2.556 2.248 3.420 0.020 11 0 "[ . 1 . 2]" 2
1013 1 33 ASN H 1 50 LEU QD . . 5.030 4.404 3.883 5.022 . 0 0 "[ . 1 . 2]" 2
1014 1 33 ASN HA 1 33 ASN QD . . 3.540 3.218 2.137 3.585 0.045 6 0 "[ . 1 . 2]" 2
1015 1 33 ASN QB 1 33 ASN QD . . 2.600 2.283 2.143 2.578 . 0 0 "[ . 1 . 2]" 2
1016 1 35 ILE HA 1 48 GLY QA . . 3.840 2.621 2.516 2.773 . 0 0 "[ . 1 . 2]" 2
1017 1 35 ILE HG13 1 48 GLY QA . . 3.410 2.363 2.305 2.416 . 0 0 "[ . 1 . 2]" 2
1018 1 35 ILE MD 1 48 GLY QA . . 3.620 1.970 1.832 2.169 . 0 0 "[ . 1 . 2]" 2
1019 1 36 ASN H 1 47 GLU QB . . 4.470 3.338 3.189 3.548 . 0 0 "[ . 1 . 2]" 2
1020 1 36 ASN H 1 48 GLY QA . . 4.510 3.479 3.354 3.804 . 0 0 "[ . 1 . 2]" 2
1021 1 36 ASN QB 1 47 GLU QB . . 3.780 2.872 2.677 3.161 . 0 0 "[ . 1 . 2]" 2
1022 1 37 VAL MG1 1 44 VAL QG . . 4.910 4.003 3.580 4.370 . 0 0 "[ . 1 . 2]" 2
1023 1 39 TRP H 1 39 TRP QB . . 3.420 2.861 2.511 2.954 . 0 0 "[ . 1 . 2]" 2
1024 1 39 TRP HA 1 39 TRP QB . . 2.540 2.192 2.180 2.354 . 0 0 "[ . 1 . 2]" 2
1025 1 39 TRP QB 1 39 TRP HD1 . . 3.360 2.629 2.592 2.686 . 0 0 "[ . 1 . 2]" 2
1026 1 39 TRP QB 1 39 TRP HE3 . . 3.440 2.532 2.465 2.588 . 0 0 "[ . 1 . 2]" 2
1027 1 39 TRP QB 1 40 ASP H . . 3.300 3.035 2.865 3.298 . 0 0 "[ . 1 . 2]" 2
1028 1 39 TRP QB 1 44 VAL HA . . 5.020 3.064 2.768 4.171 . 0 0 "[ . 1 . 2]" 2
1029 1 40 ASP H 1 40 ASP QB . . 3.290 2.681 2.418 2.782 . 0 0 "[ . 1 . 2]" 2
1030 1 40 ASP HA 1 41 GLY QA . . 4.350 3.893 3.887 3.917 . 0 0 "[ . 1 . 2]" 2
1031 1 40 ASP QB 1 43 THR HB . . 4.350 4.136 3.685 4.353 0.003 10 0 "[ . 1 . 2]" 2
1032 1 41 GLY QA 1 42 ASP H . . 2.930 2.430 2.250 2.708 . 0 0 "[ . 1 . 2]" 2
1033 1 42 ASP H 1 42 ASP QB . . 3.530 2.841 2.657 3.155 . 0 0 "[ . 1 . 2]" 2
1034 1 42 ASP QB 1 43 THR MG . . 5.340 4.828 4.281 5.246 . 0 0 "[ . 1 . 2]" 2
1035 1 43 THR HA 1 44 VAL QG . . 4.150 3.505 3.303 3.787 . 0 0 "[ . 1 . 2]" 2
1036 1 44 VAL H 1 44 VAL QG . . 3.740 2.029 1.821 2.649 . 0 0 "[ . 1 . 2]" 2
1037 1 44 VAL QG 1 45 THR H . . 3.980 2.912 2.215 3.577 . 0 0 "[ . 1 . 2]" 2
1038 1 45 THR MG 1 47 GLU QG . . 4.510 3.098 2.829 3.545 . 0 0 "[ . 1 . 2]" 2
1039 1 46 VAL HA 1 47 GLU QB . . 5.340 4.114 3.938 4.279 . 0 0 "[ . 1 . 2]" 2
1040 1 47 GLU H 1 47 GLU QB . . 3.410 2.472 2.370 2.554 . 0 0 "[ . 1 . 2]" 2
1041 1 47 GLU H 1 47 GLU QG . . 4.220 3.427 3.084 3.892 . 0 0 "[ . 1 . 2]" 2
1042 1 47 GLU HA 1 47 GLU QG . . 2.930 2.265 2.038 2.434 . 0 0 "[ . 1 . 2]" 2
1043 1 47 GLU QB 1 48 GLY H . . 3.830 3.399 3.245 3.563 . 0 0 "[ . 1 . 2]" 2
1044 1 47 GLU QB 1 48 GLY QA . . 5.180 3.924 3.890 3.946 . 0 0 "[ . 1 . 2]" 2
1045 1 47 GLU QG 1 48 GLY H . . 4.590 3.776 3.145 4.126 . 0 0 "[ . 1 . 2]" 2
1046 1 48 GLY QA 1 49 GLN H . . 3.050 2.219 2.154 2.272 . 0 0 "[ . 1 . 2]" 2
1047 1 48 GLY QA 1 49 GLN HA . . 4.640 3.939 3.935 3.945 . 0 0 "[ . 1 . 2]" 2
1048 1 48 GLY QA 1 49 GLN HB3 . . 5.340 4.088 3.963 4.177 . 0 0 "[ . 1 . 2]" 2
1049 1 48 GLY QA 1 49 GLN HE21 . . 5.340 4.085 3.633 4.970 . 0 0 "[ . 1 . 2]" 2
1050 1 50 LEU H 1 50 LEU QD . . 3.970 3.771 3.608 3.909 . 0 0 "[ . 1 . 2]" 2
1051 1 50 LEU HA 1 50 LEU QD . . 3.080 2.045 1.925 2.125 . 0 0 "[ . 1 . 2]" 2
1052 1 50 LEU HA 1 51 GLU QB . . 5.050 4.364 4.026 4.548 . 0 0 "[ . 1 . 2]" 2
1053 1 50 LEU QD 1 51 GLU H . . 3.610 2.141 1.836 2.627 . 0 0 "[ . 1 . 2]" 2
1054 1 50 LEU QD 1 51 GLU QB . . 5.210 4.178 3.405 4.627 . 0 0 "[ . 1 . 2]" 2
1055 1 50 LEU QD 1 51 GLU QG . . 4.540 3.239 2.832 4.144 . 0 0 "[ . 1 . 2]" 2
1056 1 50 LEU QD 1 52 GLY QA . . 3.750 2.977 2.290 3.548 . 0 0 "[ . 1 . 2]" 2
1057 1 51 GLU H 1 51 GLU QB . . 3.150 2.937 2.298 3.036 . 0 0 "[ . 1 . 2]" 2
1058 1 51 GLU HA 1 52 GLY QA . . 5.290 4.238 4.012 4.513 . 0 0 "[ . 1 . 2]" 2
1059 1 51 GLU QG 1 52 GLY QA . . 4.940 3.560 3.209 4.257 . 0 0 "[ . 1 . 2]" 2
1060 1 54 SER H 1 54 SER QB . . 3.630 2.962 2.520 3.456 . 0 0 "[ . 1 . 2]" 2
1061 1 54 SER H 1 55 LEU QD . . 3.910 3.533 2.607 3.881 . 0 0 "[ . 1 . 2]" 2
1062 1 54 SER HA 1 55 LEU QD . . 5.440 3.411 2.787 4.957 . 0 0 "[ . 1 . 2]" 2
1063 1 54 SER QB 1 55 LEU H . . 3.820 2.835 2.253 3.557 . 0 0 "[ . 1 . 2]" 2
1064 1 55 LEU H 1 55 LEU QB . . 3.210 2.436 2.181 3.155 . 0 0 "[ . 1 . 2]" 2
1065 1 55 LEU HA 1 55 LEU QD . . 3.250 2.003 1.884 2.056 . 0 0 "[ . 1 . 2]" 2
1066 1 55 LEU QB 1 56 GLU H . . 4.260 3.544 2.149 3.896 . 0 0 "[ . 1 . 2]" 2
1067 1 55 LEU QD 1 56 GLU H . . 4.890 3.797 3.536 3.980 . 0 0 "[ . 1 . 2]" 2
1068 1 55 LEU QD 1 56 GLU HA . . 5.440 5.108 4.517 5.409 . 0 0 "[ . 1 . 2]" 2
1069 1 56 GLU H 1 56 GLU QB . . 3.580 2.554 2.220 3.203 . 0 0 "[ . 1 . 2]" 2
1070 1 56 GLU HA 1 56 GLU QG . . 3.650 3.017 2.255 3.386 . 0 0 "[ . 1 . 2]" 2
1071 1 56 GLU HA 1 57 HIS QB . . 4.960 4.161 3.712 5.055 0.095 3 0 "[ . 1 . 2]" 2
1072 1 56 GLU QB 1 56 GLU QG . . 2.340 2.065 2.019 2.086 . 0 0 "[ . 1 . 2]" 2
1073 1 56 GLU QG 1 57 HIS HA . . 3.960 3.307 2.911 3.967 0.007 12 0 "[ . 1 . 2]" 2
1074 1 56 GLU QG 1 58 HIS H . . 5.340 4.592 3.483 5.263 . 0 0 "[ . 1 . 2]" 2
1075 1 57 HIS HA 1 57 HIS QB . . 2.620 2.474 2.179 2.539 . 0 0 "[ . 1 . 2]" 2
1076 1 57 HIS QB 1 57 HIS HD2 . . 3.040 2.834 2.624 3.063 0.023 1 0 "[ . 1 . 2]" 2
1077 2 3 ARG HA 2 3 ARG QD . . 4.480 3.578 2.779 3.760 . 0 0 "[ . 1 . 2]" 2
1078 2 3 ARG HB2 2 4 VAL H . . 4.340 4.031 3.897 4.305 . 0 0 "[ . 1 . 2]" 2
1079 2 3 ARG HA 2 3 ARG HG2 . . 3.830 2.484 2.196 2.563 . 0 0 "[ . 1 . 2]" 2
1080 2 3 ARG H 2 3 ARG HG3 . . 4.860 4.785 4.712 4.890 0.030 11 0 "[ . 1 . 2]" 2
1081 2 3 ARG HA 2 3 ARG HG3 . . 3.830 3.537 3.373 3.591 . 0 0 "[ . 1 . 2]" 2
1082 2 4 VAL HB 2 5 ARG H . . 4.960 4.175 4.100 4.213 . 0 0 "[ . 1 . 2]" 2
1083 2 4 VAL HB 2 5 ARG HA . . 4.690 4.706 4.648 4.745 0.055 17 0 "[ . 1 . 2]" 2
1084 2 4 VAL MG2 2 27 PHE QE . . 3.830 2.872 2.661 3.093 . 0 0 "[ . 1 . 2]" 2
1085 2 6 ILE HA 2 7 SER HB2 . . 5.500 5.159 4.418 5.496 . 0 0 "[ . 1 . 2]" 2
1086 2 6 ILE HB 2 46 VAL H . . 4.520 3.699 3.635 3.766 . 0 0 "[ . 1 . 2]" 2
1087 2 6 ILE HB 2 27 PHE QE . . 4.200 3.365 3.169 3.495 . 0 0 "[ . 1 . 2]" 2
1088 2 5 ARG HA 2 6 ILE HB . . 4.980 4.645 4.560 4.727 . 0 0 "[ . 1 . 2]" 2
1089 2 6 ILE HB 2 46 VAL MG1 . . 3.580 1.936 1.898 1.974 . 0 0 "[ . 1 . 2]" 2
1090 2 6 ILE HA 2 6 ILE HG12 . . 4.020 2.563 2.540 2.615 . 0 0 "[ . 1 . 2]" 2
1091 2 8 ILE HA 2 8 ILE HG13 . . 4.120 3.413 2.800 3.749 . 0 0 "[ . 1 . 2]" 2
1092 2 6 ILE MG 2 27 PHE QE . . 4.660 4.401 4.308 4.471 . 0 0 "[ . 1 . 2]" 2
1093 2 6 ILE HA 2 6 ILE MD . . 4.440 3.842 3.830 3.858 . 0 0 "[ . 1 . 2]" 2
1094 2 6 ILE HB 2 6 ILE MD . . 3.600 2.414 2.396 2.445 . 0 0 "[ . 1 . 2]" 2
1095 2 4 VAL HB 2 6 ILE MD . . 5.500 4.905 4.772 5.045 . 0 0 "[ . 1 . 2]" 2
1096 2 7 SER HA 2 45 THR MG . . 4.130 2.567 2.163 3.115 . 0 0 "[ . 1 . 2]" 2
1097 2 7 SER HB2 2 8 ILE H . . 4.310 3.747 3.405 4.220 . 0 0 "[ . 1 . 2]" 2
1098 2 6 ILE HA 2 7 SER HB3 . . 5.500 5.200 4.311 5.498 . 0 0 "[ . 1 . 2]" 2
1099 2 8 ILE H 2 8 ILE HB . . 4.050 3.360 2.610 3.768 . 0 0 "[ . 1 . 2]" 2
1100 2 8 ILE H 2 8 ILE HG13 . . 4.200 3.071 2.610 3.341 . 0 0 "[ . 1 . 2]" 2
1101 2 8 ILE HA 2 8 ILE HG12 . . 4.120 3.369 2.762 3.710 . 0 0 "[ . 1 . 2]" 2
1102 2 8 ILE MG 2 9 THR H . . 3.990 3.379 2.148 4.017 0.027 3 0 "[ . 1 . 2]" 2
1103 2 8 ILE MG 2 16 ALA HA . . 5.500 4.158 2.776 5.343 . 0 0 "[ . 1 . 2]" 2
1104 2 8 ILE MG 2 19 PHE HA . . 5.500 5.318 5.006 5.499 . 0 0 "[ . 1 . 2]" 2
1105 2 8 ILE MG 2 19 PHE HB2 . . 4.560 3.557 3.200 4.024 . 0 0 "[ . 1 . 2]" 2
1106 2 8 ILE MG 2 19 PHE HB3 . . 4.100 3.198 2.786 3.661 . 0 0 "[ . 1 . 2]" 2
1107 2 6 ILE HG13 2 6 ILE MG . . 3.460 3.187 3.186 3.190 . 0 0 "[ . 1 . 2]" 2
1108 2 8 ILE H 2 8 ILE MD . . 3.490 3.627 3.558 3.695 0.205 16 0 "[ . 1 . 2]" 2
1109 2 8 ILE HA 2 8 ILE MD . . 4.670 4.074 3.900 4.175 . 0 0 "[ . 1 . 2]" 2
1110 2 8 ILE HB 2 8 ILE MD . . 3.700 2.398 2.271 2.479 . 0 0 "[ . 1 . 2]" 2
1111 2 9 THR HA 2 10 ALA HA . . 4.790 4.437 4.394 4.478 . 0 0 "[ . 1 . 2]" 2
1112 2 10 ALA HA 2 11 ARG QB . . 5.000 4.461 4.136 4.791 . 0 0 "[ . 1 . 2]" 2
1113 2 10 ALA HA 2 15 GLU HB3 . . 5.220 4.178 3.711 4.491 . 0 0 "[ . 1 . 2]" 2
1114 2 9 THR HA 2 10 ALA MB . . 4.790 4.138 3.906 4.293 . 0 0 "[ . 1 . 2]" 2
1115 2 10 ALA MB 2 13 LYS HA . . 5.480 4.360 4.039 4.581 . 0 0 "[ . 1 . 2]" 2
1116 2 10 ALA MB 2 15 GLU QG . . 4.670 3.450 2.969 3.904 . 0 0 "[ . 1 . 2]" 2
1117 2 10 ALA MB 2 15 GLU HB3 . . 3.530 2.105 1.887 2.379 . 0 0 "[ . 1 . 2]" 2
1118 2 8 ILE MD 2 10 ALA MB . . 4.060 3.870 3.494 4.233 0.173 6 0 "[ . 1 . 2]" 2
1119 2 11 ARG HA 2 11 ARG HD2 . . 5.500 4.670 4.307 5.511 0.011 18 0 "[ . 1 . 2]" 2
1120 2 11 ARG HA 2 11 ARG HD3 . . 5.500 4.902 4.187 5.509 0.009 10 0 "[ . 1 . 2]" 2
1121 2 11 ARG QB 2 11 ARG QG . . 2.410 2.073 2.022 2.087 . 0 0 "[ . 1 . 2]" 2
1122 2 11 ARG QB 2 12 THR MG . . 3.800 3.524 2.962 3.856 0.056 18 0 "[ . 1 . 2]" 2
1123 2 12 THR MG 2 13 LYS H . . 5.370 3.549 2.596 4.015 . 0 0 "[ . 1 . 2]" 2
1124 2 12 THR MG 2 14 LYS H . . 3.340 2.816 1.928 3.349 0.009 18 0 "[ . 1 . 2]" 2
1125 2 12 THR HA 2 12 THR MG . . 3.260 3.187 3.176 3.193 . 0 0 "[ . 1 . 2]" 2
1126 2 12 THR MG 2 15 GLU QG . . 3.020 2.375 1.880 3.026 0.006 11 0 "[ . 1 . 2]" 2
1127 2 12 THR MG 2 15 GLU HB3 . . 5.170 3.569 3.407 3.902 . 0 0 "[ . 1 . 2]" 2
1128 2 10 ALA MB 2 12 THR MG . . 4.540 3.635 3.402 3.983 . 0 0 "[ . 1 . 2]" 2
1129 2 13 LYS QG 2 15 GLU H . . 5.500 4.460 4.316 4.691 . 0 0 "[ . 1 . 2]" 2
1130 2 12 THR HB 2 13 LYS QG . . 4.670 4.692 4.548 4.768 0.098 11 0 "[ . 1 . 2]" 2
1131 2 14 LYS H 2 14 LYS HG2 . . 4.630 3.405 1.948 4.549 . 0 0 "[ . 1 . 2]" 2
1132 2 14 LYS QD 2 14 LYS HG2 . . 2.800 2.285 2.141 2.515 . 0 0 "[ . 1 . 2]" 2
1133 2 14 LYS QD 2 14 LYS HG3 . . 2.800 2.371 2.144 2.532 . 0 0 "[ . 1 . 2]" 2
1134 2 13 LYS QG 2 14 LYS QD . . 5.130 3.080 1.927 4.324 . 0 0 "[ . 1 . 2]" 2
1135 2 14 LYS HA 2 14 LYS QE . . 2.550 2.315 2.035 2.551 0.001 15 0 "[ . 1 . 2]" 2
1136 2 14 LYS QE 2 14 LYS HG3 . . 3.520 2.610 1.992 3.326 . 0 0 "[ . 1 . 2]" 2
1137 2 11 ARG H 2 15 GLU HB3 . . 5.500 3.882 3.096 4.669 . 0 0 "[ . 1 . 2]" 2
1138 2 10 ALA MB 2 15 GLU HB2 . . 3.820 2.401 1.995 2.681 . 0 0 "[ . 1 . 2]" 2
1139 2 17 GLU H 2 17 GLU HG3 . . 4.050 3.493 2.890 4.132 0.082 7 0 "[ . 1 . 2]" 2
1140 2 17 GLU HA 2 17 GLU HG2 . . 3.630 2.675 2.117 3.744 0.114 7 0 "[ . 1 . 2]" 2
1141 2 17 GLU HG2 2 20 ALA MB . . 5.500 4.425 3.747 5.504 0.004 12 0 "[ . 1 . 2]" 2
1142 2 18 LYS HA 2 21 ALA MB . . 3.310 3.038 2.836 3.302 . 0 0 "[ . 1 . 2]" 2
1143 2 18 LYS H 2 18 LYS HG3 . . 3.960 3.223 2.996 3.492 . 0 0 "[ . 1 . 2]" 2
1144 2 18 LYS HA 2 18 LYS HG3 . . 3.840 3.755 3.681 3.819 . 0 0 "[ . 1 . 2]" 2
1145 2 18 LYS H 2 18 LYS QD . . 4.240 4.068 3.925 4.246 0.006 7 0 "[ . 1 . 2]" 2
1146 2 15 GLU HA 2 18 LYS QD . . 5.090 4.826 4.598 5.094 0.004 7 0 "[ . 1 . 2]" 2
1147 2 18 LYS QB 2 18 LYS QD . . 3.450 2.141 2.046 2.192 . 0 0 "[ . 1 . 2]" 2
1148 2 19 PHE HA 2 22 ILE HB . . 3.400 3.331 3.238 3.403 0.003 9 0 "[ . 1 . 2]" 2
1149 2 19 PHE HA 2 22 ILE MG . . 4.970 4.647 4.559 4.724 . 0 0 "[ . 1 . 2]" 2
1150 2 19 PHE HB2 2 20 ALA H . . 3.640 2.724 2.595 2.857 . 0 0 "[ . 1 . 2]" 2
1151 2 19 PHE H 2 19 PHE HB2 . . 3.740 2.258 2.202 2.331 . 0 0 "[ . 1 . 2]" 2
1152 2 19 PHE H 2 19 PHE HB3 . . 3.680 3.537 3.505 3.577 . 0 0 "[ . 1 . 2]" 2
1153 2 8 ILE MD 2 19 PHE HB3 . . 3.860 2.225 1.966 2.527 . 0 0 "[ . 1 . 2]" 2
1154 2 8 ILE MD 2 19 PHE HB2 . . 3.870 2.091 1.904 2.362 . 0 0 "[ . 1 . 2]" 2
1155 2 20 ALA HA 2 21 ALA HA . . 5.050 4.865 4.853 4.872 . 0 0 "[ . 1 . 2]" 2
1156 2 20 ALA HA 2 21 ALA MB . . 5.040 4.999 4.993 5.007 . 0 0 "[ . 1 . 2]" 2
1157 2 20 ALA HA 2 24 ILE MD . . 4.320 3.733 3.642 3.818 . 0 0 "[ . 1 . 2]" 2
1158 2 8 ILE MD 2 20 ALA HA . . 3.620 3.429 2.916 3.651 0.031 12 0 "[ . 1 . 2]" 2
1159 2 20 ALA MB 2 22 ILE H . . 4.580 4.589 4.522 4.617 0.037 5 0 "[ . 1 . 2]" 2
1160 2 17 GLU HG3 2 20 ALA MB . . 5.500 5.116 4.756 5.493 . 0 0 "[ . 1 . 2]" 2
1161 2 20 ALA MB 2 24 ILE MD . . 3.350 2.483 2.327 2.615 . 0 0 "[ . 1 . 2]" 2
1162 2 20 ALA MB 2 37 VAL MG2 . . 3.830 3.217 2.928 3.616 . 0 0 "[ . 1 . 2]" 2
1163 2 8 ILE MD 2 20 ALA MB . . 3.440 3.209 2.753 3.454 0.014 14 0 "[ . 1 . 2]" 2
1164 2 21 ALA HA 2 24 ILE H . . 3.990 3.810 3.773 3.867 . 0 0 "[ . 1 . 2]" 2
1165 2 21 ALA HA 2 22 ILE HG13 . . 5.340 5.162 5.135 5.180 . 0 0 "[ . 1 . 2]" 2
1166 2 20 ALA MB 2 21 ALA HA . . 4.290 3.663 3.652 3.687 . 0 0 "[ . 1 . 2]" 2
1167 2 21 ALA MB 2 22 ILE HA . . 3.950 3.709 3.678 3.784 . 0 0 "[ . 1 . 2]" 2
1168 2 21 ALA MB 2 24 ILE MD . . 3.420 3.308 3.237 3.396 . 0 0 "[ . 1 . 2]" 2
1169 2 22 ILE HA 2 26 VAL H . . 4.530 4.324 4.296 4.345 . 0 0 "[ . 1 . 2]" 2
1170 2 22 ILE HA 2 25 LYS HB3 . . 4.860 4.673 4.554 4.696 . 0 0 "[ . 1 . 2]" 2
1171 2 22 ILE MG 2 23 LEU HA . . 3.950 3.541 3.493 3.589 . 0 0 "[ . 1 . 2]" 2
1172 2 22 ILE MG 2 26 VAL HB . . 4.510 4.478 4.421 4.508 . 0 0 "[ . 1 . 2]" 2
1173 2 22 ILE HG12 2 22 ILE MG . . 3.140 2.063 2.008 2.121 . 0 0 "[ . 1 . 2]" 2
1174 2 19 PHE QD 2 22 ILE MD . . 4.370 3.338 2.656 3.737 . 0 0 "[ . 1 . 2]" 2
1175 2 22 ILE HA 2 22 ILE MD . . 3.980 3.873 3.856 3.881 . 0 0 "[ . 1 . 2]" 2
1176 2 21 ALA MB 2 22 ILE MD . . 4.550 3.894 3.671 4.056 . 0 0 "[ . 1 . 2]" 2
1177 2 22 ILE MD 2 22 ILE MG . . 2.890 2.530 2.456 2.644 . 0 0 "[ . 1 . 2]" 2
1178 2 23 LEU HA 2 27 PHE H . . 3.990 4.036 4.018 4.060 0.070 13 0 "[ . 1 . 2]" 2
1179 2 23 LEU HA 2 26 VAL H . . 4.060 3.446 3.418 3.491 . 0 0 "[ . 1 . 2]" 2
1180 2 23 LEU HA 2 46 VAL MG2 . . 5.500 5.527 5.509 5.547 0.047 18 0 "[ . 1 . 2]" 2
1181 2 23 LEU HB2 2 24 ILE H . . 4.260 3.057 3.003 3.100 . 0 0 "[ . 1 . 2]" 2
1182 2 20 ALA HA 2 23 LEU HB2 . . 4.040 2.447 2.330 2.539 . 0 0 "[ . 1 . 2]" 2
1183 2 20 ALA HA 2 23 LEU HB3 . . 5.440 3.616 3.560 3.702 . 0 0 "[ . 1 . 2]" 2
1184 2 23 LEU HB3 2 46 VAL MG2 . . 3.960 3.186 3.156 3.218 . 0 0 "[ . 1 . 2]" 2
1185 2 23 LEU HB2 2 46 VAL MG2 . . 4.420 4.384 4.332 4.427 0.007 2 0 "[ . 1 . 2]" 2
1186 2 23 LEU H 2 23 LEU HG . . 4.430 4.171 4.136 4.222 . 0 0 "[ . 1 . 2]" 2
1187 2 6 ILE MG 2 23 LEU HG . . 4.170 3.153 3.053 3.354 . 0 0 "[ . 1 . 2]" 2
1188 2 23 LEU HA 2 23 LEU MD1 . . 4.120 2.102 2.035 2.232 . 0 0 "[ . 1 . 2]" 2
1189 2 23 LEU HB3 2 23 LEU MD1 . . 3.640 2.376 2.321 2.399 . 0 0 "[ . 1 . 2]" 2
1190 2 23 LEU H 2 23 LEU MD2 . . 4.550 2.662 2.550 2.766 . 0 0 "[ . 1 . 2]" 2
1191 2 23 LEU HB3 2 23 LEU MD2 . . 3.640 3.195 3.193 3.197 . 0 0 "[ . 1 . 2]" 2
1192 2 24 ILE HA 2 25 LYS H . . 3.560 3.543 3.540 3.552 . 0 0 "[ . 1 . 2]" 2
1193 2 21 ALA MB 2 22 ILE HB . . 5.260 4.614 4.559 4.669 . 0 0 "[ . 1 . 2]" 2
1194 2 21 ALA MB 2 24 ILE HB . . 5.500 4.484 4.419 4.570 . 0 0 "[ . 1 . 2]" 2
1195 2 24 ILE H 2 24 ILE HG12 . . 4.000 3.683 3.661 3.711 . 0 0 "[ . 1 . 2]" 2
1196 2 24 ILE HG12 2 35 ILE MG . . 4.210 2.603 2.388 2.775 . 0 0 "[ . 1 . 2]" 2
1197 2 24 ILE HA 2 24 ILE HG13 . . 2.880 2.615 2.587 2.632 . 0 0 "[ . 1 . 2]" 2
1198 2 24 ILE H 2 24 ILE MG . . 4.060 3.762 3.760 3.764 . 0 0 "[ . 1 . 2]" 2
1199 2 24 ILE MG 2 28 ALA H . . 5.080 3.933 3.815 4.036 . 0 0 "[ . 1 . 2]" 2
1200 2 24 ILE MG 2 35 ILE H . . 5.340 4.547 4.033 4.757 . 0 0 "[ . 1 . 2]" 2
1201 2 21 ALA HA 2 24 ILE MG . . 4.770 4.387 4.315 4.506 . 0 0 "[ . 1 . 2]" 2
1202 2 24 ILE MG 2 35 ILE HB . . 4.030 3.557 3.249 3.723 . 0 0 "[ . 1 . 2]" 2
1203 2 24 ILE MD 2 24 ILE MG . . 2.700 2.515 2.483 2.559 . 0 0 "[ . 1 . 2]" 2
1204 2 24 ILE MG 2 35 ILE MG . . 3.540 3.282 3.102 3.450 . 0 0 "[ . 1 . 2]" 2
1205 2 21 ALA H 2 24 ILE MD . . 3.640 3.444 3.377 3.520 . 0 0 "[ . 1 . 2]" 2
1206 2 24 ILE HA 2 24 ILE MD . . 4.060 3.860 3.847 3.866 . 0 0 "[ . 1 . 2]" 2
1207 2 24 ILE MG 2 25 LYS HA . . 3.910 3.458 3.352 3.564 . 0 0 "[ . 1 . 2]" 2
1208 2 25 LYS HB3 2 25 LYS QD . . 3.280 2.299 2.262 2.692 . 0 0 "[ . 1 . 2]" 2
1209 2 25 LYS HB2 2 26 VAL MG2 . . 3.340 3.068 3.037 3.458 0.118 1 0 "[ . 1 . 2]" 2
1210 2 25 LYS HB3 2 26 VAL MG2 . . 4.250 4.077 3.542 4.134 . 0 0 "[ . 1 . 2]" 2
1211 2 25 LYS HG2 2 26 VAL H . . 4.490 4.319 4.272 5.040 0.550 1 1 "[+ . 1 . 2]" 2
1212 2 25 LYS HG3 2 26 VAL H . . 4.780 4.587 4.564 4.773 . 0 0 "[ . 1 . 2]" 2
1213 2 25 LYS H 2 25 LYS HG3 . . 3.250 3.158 3.100 3.170 . 0 0 "[ . 1 . 2]" 2
1214 2 22 ILE HG13 2 22 ILE MG . . 3.610 3.118 3.080 3.140 . 0 0 "[ . 1 . 2]" 2
1215 2 22 ILE HA 2 25 LYS QE . . 5.500 5.339 2.089 5.517 0.017 10 0 "[ . 1 . 2]" 2
1216 2 24 ILE HA 2 25 LYS QE . . 5.500 5.504 5.495 5.551 0.051 1 0 "[ . 1 . 2]" 2
1217 2 25 LYS HB3 2 25 LYS QE . . 4.630 2.467 2.372 3.532 . 0 0 "[ . 1 . 2]" 2
1218 2 25 LYS QE 2 26 VAL MG2 . . 5.500 5.467 4.674 5.515 0.015 15 0 "[ . 1 . 2]" 2
1219 2 26 VAL HA 2 27 PHE HA . . 4.810 4.754 4.737 4.765 . 0 0 "[ . 1 . 2]" 2
1220 2 25 LYS HB2 2 26 VAL HA . . 4.680 4.238 4.199 4.730 0.050 1 0 "[ . 1 . 2]" 2
1221 2 26 VAL HA 2 26 VAL MG2 . . 3.440 2.430 2.424 2.435 . 0 0 "[ . 1 . 2]" 2
1222 2 23 LEU HA 2 26 VAL HB . . 3.600 2.899 2.814 2.929 . 0 0 "[ . 1 . 2]" 2
1223 2 25 LYS H 2 26 VAL MG2 . . 4.660 3.953 3.938 4.003 . 0 0 "[ . 1 . 2]" 2
1224 2 22 ILE HB 2 26 VAL MG2 . . 5.240 4.135 4.056 4.178 . 0 0 "[ . 1 . 2]" 2
1225 2 23 LEU HG 2 26 VAL MG2 . . 5.500 5.501 5.462 5.524 0.024 18 0 "[ . 1 . 2]" 2
1226 2 25 LYS QD 2 26 VAL MG2 . . 5.500 5.479 4.812 5.536 0.036 11 0 "[ . 1 . 2]" 2
1227 2 22 ILE MG 2 26 VAL MG2 . . 2.540 2.360 2.329 2.389 . 0 0 "[ . 1 . 2]" 2
1228 2 26 VAL MG1 2 30 LEU HB3 . . 5.290 4.995 4.871 5.111 . 0 0 "[ . 1 . 2]" 2
1229 2 26 VAL MG1 2 30 LEU HB2 . . 4.430 4.169 4.038 4.351 . 0 0 "[ . 1 . 2]" 2
1230 2 26 VAL MG1 2 30 LEU HG . . 4.780 3.032 2.756 3.508 . 0 0 "[ . 1 . 2]" 2
1231 2 27 PHE HA 2 30 LEU H . . 4.830 3.445 3.419 3.480 . 0 0 "[ . 1 . 2]" 2
1232 2 27 PHE HA 2 27 PHE QD . . 3.780 2.256 2.157 2.313 . 0 0 "[ . 1 . 2]" 2
1233 2 27 PHE HA 2 32 TYR HB2 . . 3.980 2.719 2.680 2.758 . 0 0 "[ . 1 . 2]" 2
1234 2 27 PHE HA 2 30 LEU MD1 . . 5.440 2.571 2.186 3.011 . 0 0 "[ . 1 . 2]" 2
1235 2 24 ILE HA 2 27 PHE HB2 . . 4.020 2.743 2.723 2.855 . 0 0 "[ . 1 . 2]" 2
1236 2 28 ALA H 2 28 ALA MB . . 3.380 2.233 2.230 2.235 . 0 0 "[ . 1 . 2]" 2
1237 2 28 ALA MB 2 30 LEU H . . 4.300 4.187 4.183 4.192 . 0 0 "[ . 1 . 2]" 2
1238 2 28 ALA MB 2 29 GLU HA . . 3.910 3.817 3.815 3.820 . 0 0 "[ . 1 . 2]" 2
1239 2 24 ILE HA 2 28 ALA MB . . 5.470 4.474 4.395 4.575 . 0 0 "[ . 1 . 2]" 2
1240 2 28 ALA MB 2 29 GLU HG2 . . 5.500 4.995 4.255 5.278 . 0 0 "[ . 1 . 2]" 2
1241 2 28 ALA MB 2 29 GLU HB2 . . 5.500 5.008 4.957 5.119 . 0 0 "[ . 1 . 2]" 2
1242 2 28 ALA MB 2 29 GLU HG3 . . 5.500 4.968 4.857 5.250 . 0 0 "[ . 1 . 2]" 2
1243 2 28 ALA MB 2 29 GLU HB3 . . 4.710 3.814 3.784 3.895 . 0 0 "[ . 1 . 2]" 2
1244 2 25 LYS HB3 2 28 ALA MB . . 4.820 4.465 4.414 4.559 . 0 0 "[ . 1 . 2]" 2
1245 2 28 ALA MB 2 35 ILE MD . . 4.530 4.515 4.449 4.566 0.036 5 0 "[ . 1 . 2]" 2
1246 2 18 LYS HA 2 21 ALA H . . 4.440 3.878 3.757 4.136 . 0 0 "[ . 1 . 2]" 2
1247 2 29 GLU H 2 29 GLU HB2 . . 3.940 3.563 3.540 3.598 . 0 0 "[ . 1 . 2]" 2
1248 2 29 GLU HB2 2 30 LEU H . . 5.500 4.251 4.140 4.298 . 0 0 "[ . 1 . 2]" 2
1249 2 26 VAL HA 2 29 GLU HB2 . . 5.010 4.867 4.796 4.954 . 0 0 "[ . 1 . 2]" 2
1250 2 26 VAL HA 2 29 GLU HB3 . . 4.320 3.811 3.630 4.038 . 0 0 "[ . 1 . 2]" 2
1251 2 29 GLU H 2 29 GLU HG3 . . 3.910 2.879 2.745 3.211 . 0 0 "[ . 1 . 2]" 2
1252 2 29 GLU HG2 2 30 LEU H . . 4.050 3.860 3.145 4.065 0.015 16 0 "[ . 1 . 2]" 2
1253 2 26 VAL HA 2 29 GLU HG2 . . 4.150 2.284 1.964 2.476 . 0 0 "[ . 1 . 2]" 2
1254 2 30 LEU HA 2 30 LEU HG . . 3.250 2.759 2.450 2.969 . 0 0 "[ . 1 . 2]" 2
1255 2 30 LEU H 2 30 LEU HB2 . . 3.380 2.287 2.209 2.357 . 0 0 "[ . 1 . 2]" 2
1256 2 30 LEU HB3 2 32 TYR QE . . 3.480 2.096 2.000 2.281 . 0 0 "[ . 1 . 2]" 2
1257 2 27 PHE HA 2 30 LEU HB3 . . 4.360 3.987 3.831 4.069 . 0 0 "[ . 1 . 2]" 2
1258 2 30 LEU H 2 30 LEU HG . . 4.040 3.023 2.853 3.377 . 0 0 "[ . 1 . 2]" 2
1259 2 30 LEU MD2 2 32 TYR QD . . 4.560 4.049 3.697 4.199 . 0 0 "[ . 1 . 2]" 2
1260 2 30 LEU HA 2 30 LEU MD2 . . 4.630 2.322 2.062 2.566 . 0 0 "[ . 1 . 2]" 2
1261 2 27 PHE HA 2 30 LEU MD2 . . 5.440 4.828 4.740 4.911 . 0 0 "[ . 1 . 2]" 2
1262 2 30 LEU HB3 2 30 LEU MD2 . . 3.570 2.165 2.059 2.303 . 0 0 "[ . 1 . 2]" 2
1263 2 30 LEU HB2 2 30 LEU MD2 . . 3.640 3.158 3.109 3.187 . 0 0 "[ . 1 . 2]" 2
1264 2 32 TYR HA 2 50 LEU MD2 . . 5.290 3.721 1.998 5.297 0.007 17 0 "[ . 1 . 2]" 2
1265 2 32 TYR H 2 32 TYR HB3 . . 3.930 3.629 3.619 3.640 . 0 0 "[ . 1 . 2]" 2
1266 2 28 ALA HA 2 33 ASN QB . . 3.600 3.559 3.005 3.626 0.026 2 0 "[ . 1 . 2]" 2
1267 2 33 ASN QB 2 34 ASP HB2 . . 3.630 3.487 3.221 3.633 0.003 7 0 "[ . 1 . 2]" 2
1268 2 34 ASP HA 2 35 ILE H . . 3.370 2.557 2.448 2.621 . 0 0 "[ . 1 . 2]" 2
1269 2 34 ASP HA 2 35 ILE HB . . 5.070 4.758 4.666 4.801 . 0 0 "[ . 1 . 2]" 2
1270 2 34 ASP HB3 2 49 GLN H . . 4.990 4.697 4.404 4.993 0.003 16 0 "[ . 1 . 2]" 2
1271 2 34 ASP H 2 34 ASP HB3 . . 4.100 3.850 3.743 3.877 . 0 0 "[ . 1 . 2]" 2
1272 2 34 ASP HB2 2 35 ILE H . . 4.570 4.639 4.616 4.663 0.093 14 0 "[ . 1 . 2]" 2
1273 2 34 ASP HB3 2 49 GLN HE22 . . 3.730 2.482 2.234 3.591 . 0 0 "[ . 1 . 2]" 2
1274 2 34 ASP HB2 2 49 GLN HE22 . . 3.860 3.869 3.832 3.900 0.040 16 0 "[ . 1 . 2]" 2
1275 2 34 ASP HB3 2 49 GLN QG . . 4.170 3.867 2.952 4.070 . 0 0 "[ . 1 . 2]" 2
1276 2 34 ASP HB2 2 49 GLN QG . . 5.130 5.044 4.353 5.152 0.022 2 0 "[ . 1 . 2]" 2
1277 2 35 ILE HA 2 36 ASN H . . 3.130 2.262 2.234 2.269 . 0 0 "[ . 1 . 2]" 2
1278 2 35 ILE HB 2 36 ASN H . . 4.490 4.218 4.209 4.266 . 0 0 "[ . 1 . 2]" 2
1279 2 35 ILE HG13 2 36 ASN H . . 3.210 2.662 2.614 2.747 . 0 0 "[ . 1 . 2]" 2
1280 2 35 ILE H 2 35 ILE HG13 . . 4.300 4.349 4.319 4.383 0.083 14 0 "[ . 1 . 2]" 2
1281 2 35 ILE H 2 35 ILE HG12 . . 4.650 4.660 4.627 4.692 0.042 14 0 "[ . 1 . 2]" 2
1282 2 27 PHE HB3 2 35 ILE HG12 . . 4.610 3.843 3.756 3.999 . 0 0 "[ . 1 . 2]" 2
1283 2 27 PHE HB3 2 35 ILE HG13 . . 5.060 4.628 4.559 4.720 . 0 0 "[ . 1 . 2]" 2
1284 2 35 ILE HG12 2 46 VAL MG2 . . 4.690 2.179 2.014 2.270 . 0 0 "[ . 1 . 2]" 2
1285 2 27 PHE QD 2 35 ILE MG . . 4.830 4.162 3.969 4.252 . 0 0 "[ . 1 . 2]" 2
1286 2 35 ILE MD 2 49 GLN H . . 4.250 3.184 3.060 3.329 . 0 0 "[ . 1 . 2]" 2
1287 2 24 ILE HA 2 35 ILE MD . . 4.560 3.869 3.717 3.981 . 0 0 "[ . 1 . 2]" 2
1288 2 27 PHE HB3 2 35 ILE MD . . 3.890 1.922 1.884 2.020 . 0 0 "[ . 1 . 2]" 2
1289 2 36 ASN HA 2 37 VAL HA . . 4.400 4.388 4.381 4.394 . 0 0 "[ . 1 . 2]" 2
1290 2 36 ASN QB 2 36 ASN HD22 . . 3.340 3.239 3.232 3.248 . 0 0 "[ . 1 . 2]" 2
1291 2 35 ILE HA 2 36 ASN QB . . 4.200 4.067 4.027 4.117 . 0 0 "[ . 1 . 2]" 2
1292 2 36 ASN QB 2 47 GLU HB2 . . 4.490 3.120 2.581 3.806 . 0 0 "[ . 1 . 2]" 2
1293 2 35 ILE MG 2 36 ASN QB . . 4.510 4.150 4.125 4.190 . 0 0 "[ . 1 . 2]" 2
1294 2 37 VAL HA 2 46 VAL HA . . 3.660 2.308 2.226 2.378 . 0 0 "[ . 1 . 2]" 2
1295 2 37 VAL HB 2 38 THR H . . 4.300 4.159 4.098 4.173 . 0 0 "[ . 1 . 2]" 2
1296 2 36 ASN HA 2 37 VAL HB . . 4.500 4.503 4.485 4.550 0.050 10 0 "[ . 1 . 2]" 2
1297 2 36 ASN HA 2 37 VAL MG2 . . 5.450 5.449 5.444 5.457 0.007 10 0 "[ . 1 . 2]" 2
1298 2 37 VAL MG2 2 46 VAL HA . . 4.550 3.161 3.024 3.406 . 0 0 "[ . 1 . 2]" 2
1299 2 36 ASN QB 2 37 VAL MG2 . . 5.500 5.544 5.524 5.562 0.062 7 0 "[ . 1 . 2]" 2
1300 2 36 ASN HA 2 37 VAL MG1 . . 3.960 3.812 3.681 3.860 . 0 0 "[ . 1 . 2]" 2
1301 2 37 VAL MG1 2 46 VAL HA . . 5.300 4.815 4.692 4.989 . 0 0 "[ . 1 . 2]" 2
1302 2 20 ALA MB 2 37 VAL MG1 . . 4.440 4.350 3.875 4.490 0.050 10 0 "[ . 1 . 2]" 2
1303 2 38 THR HB 2 45 THR HB . . 4.790 4.765 4.332 4.795 0.005 11 0 "[ . 1 . 2]" 2
1304 2 37 VAL MG2 2 38 THR HB . . 5.450 5.225 5.172 5.307 . 0 0 "[ . 1 . 2]" 2
1305 2 36 ASN HA 2 38 THR MG . . 5.110 5.021 4.781 5.114 0.004 11 0 "[ . 1 . 2]" 2
1306 2 37 VAL HA 2 38 THR MG . . 4.810 3.882 3.587 4.062 . 0 0 "[ . 1 . 2]" 2
1307 2 38 THR MG 2 45 THR HB . . 5.020 4.894 4.282 5.048 0.028 10 0 "[ . 1 . 2]" 2
1308 2 36 ASN QB 2 38 THR MG . . 5.240 3.384 3.115 3.623 . 0 0 "[ . 1 . 2]" 2
1309 2 39 TRP HA 2 40 ASP HA . . 5.020 4.418 4.395 4.442 . 0 0 "[ . 1 . 2]" 2
1310 2 39 TRP HA 2 39 TRP HB3 . . 2.980 2.416 2.376 2.487 . 0 0 "[ . 1 . 2]" 2
1311 2 39 TRP HA 2 39 TRP HB2 . . 2.980 2.521 2.422 3.025 0.045 10 0 "[ . 1 . 2]" 2
1312 2 40 ASP H 2 40 ASP HB3 . . 4.000 3.260 2.796 3.891 . 0 0 "[ . 1 . 2]" 2
1313 2 42 ASP H 2 42 ASP HB2 . . 4.140 2.930 2.730 3.784 . 0 0 "[ . 1 . 2]" 2
1314 2 13 LYS HA 2 14 LYS QE . . 5.500 5.216 4.914 5.473 . 0 0 "[ . 1 . 2]" 2
1315 2 10 ALA H 2 43 THR HA . . 4.470 4.037 3.325 4.486 0.016 10 0 "[ . 1 . 2]" 2
1316 2 9 THR HA 2 43 THR MG . . 3.650 2.464 1.920 3.345 . 0 0 "[ . 1 . 2]" 2
1317 2 44 VAL MG1 2 45 THR H . . 4.920 3.832 2.549 4.054 . 0 0 "[ . 1 . 2]" 2
1318 2 43 THR MG 2 44 VAL H . . 3.700 2.728 2.531 3.074 . 0 0 "[ . 1 . 2]" 2
1319 2 7 SER HA 2 43 THR MG . . 4.590 4.287 3.730 4.551 . 0 0 "[ . 1 . 2]" 2
1320 2 9 THR HB 2 43 THR MG . . 5.500 4.426 3.563 5.021 . 0 0 "[ . 1 . 2]" 2
1321 2 16 ALA HA 2 44 VAL MG1 . . 5.500 4.119 2.829 5.427 . 0 0 "[ . 1 . 2]" 2
1322 2 44 VAL MG2 2 45 THR H . . 4.920 3.261 2.256 4.120 . 0 0 "[ . 1 . 2]" 2
1323 2 45 THR HA 2 46 VAL HB . . 4.950 4.438 4.319 4.508 . 0 0 "[ . 1 . 2]" 2
1324 2 44 VAL HA 2 45 THR HB . . 4.870 4.724 4.555 4.817 . 0 0 "[ . 1 . 2]" 2
1325 2 7 SER H 2 45 THR MG . . 4.390 3.470 3.130 4.208 . 0 0 "[ . 1 . 2]" 2
1326 2 45 THR H 2 45 THR MG . . 4.090 3.925 3.888 3.952 . 0 0 "[ . 1 . 2]" 2
1327 2 45 THR MG 2 47 GLU H . . 4.810 4.717 4.388 4.813 0.003 3 0 "[ . 1 . 2]" 2
1328 2 45 THR MG 2 47 GLU HA . . 5.240 4.402 4.320 4.530 . 0 0 "[ . 1 . 2]" 2
1329 2 5 ARG QD 2 45 THR MG . . 4.260 2.378 1.927 2.955 . 0 0 "[ . 1 . 2]" 2
1330 2 5 ARG QB 2 45 THR MG . . 4.480 3.695 3.615 3.885 . 0 0 "[ . 1 . 2]" 2
1331 2 46 VAL HB 2 47 GLU H . . 4.890 4.181 4.170 4.191 . 0 0 "[ . 1 . 2]" 2
1332 2 27 PHE QE 2 46 VAL HB . . 5.120 4.317 4.113 4.474 . 0 0 "[ . 1 . 2]" 2
1333 2 20 ALA MB 2 46 VAL HB . . 4.090 4.114 4.093 4.126 0.036 16 0 "[ . 1 . 2]" 2
1334 2 6 ILE MD 2 46 VAL HB . . 5.340 5.345 5.275 5.376 0.036 17 0 "[ . 1 . 2]" 2
1335 2 36 ASN H 2 46 VAL MG2 . . 4.750 3.526 3.392 3.618 . 0 0 "[ . 1 . 2]" 2
1336 2 24 ILE HA 2 46 VAL MG2 . . 4.500 4.003 3.904 4.143 . 0 0 "[ . 1 . 2]" 2
1337 2 35 ILE HG13 2 46 VAL MG2 . . 4.330 2.629 2.546 2.761 . 0 0 "[ . 1 . 2]" 2
1338 2 46 VAL MG1 2 47 GLU H . . 3.710 3.713 3.672 3.738 0.028 2 0 "[ . 1 . 2]" 2
1339 2 45 THR HA 2 46 VAL MG1 . . 4.550 3.935 3.873 4.014 . 0 0 "[ . 1 . 2]" 2
1340 2 5 ARG HA 2 46 VAL MG1 . . 3.720 3.410 3.302 3.511 . 0 0 "[ . 1 . 2]" 2
1341 2 46 VAL HA 2 46 VAL MG1 . . 3.720 3.192 3.185 3.198 . 0 0 "[ . 1 . 2]" 2
1342 2 20 ALA HA 2 46 VAL MG1 . . 4.770 4.741 4.661 4.791 0.021 2 0 "[ . 1 . 2]" 2
1343 2 6 ILE HG13 2 46 VAL MG1 . . 3.920 3.111 2.937 3.363 . 0 0 "[ . 1 . 2]" 2
1344 2 23 LEU HB3 2 46 VAL MG1 . . 4.130 3.131 2.939 3.271 . 0 0 "[ . 1 . 2]" 2
1345 2 37 VAL HB 2 46 VAL HA . . 4.460 3.666 3.466 4.037 . 0 0 "[ . 1 . 2]" 2
1346 2 36 ASN QB 2 47 GLU HB3 . . 4.490 3.509 3.022 3.970 . 0 0 "[ . 1 . 2]" 2
1347 2 47 GLU H 2 47 GLU HG2 . . 4.870 4.398 4.020 4.568 . 0 0 "[ . 1 . 2]" 2
1348 2 47 GLU H 2 47 GLU HG3 . . 4.870 3.705 2.748 4.512 . 0 0 "[ . 1 . 2]" 2
1349 2 35 ILE MD 2 48 GLY HA3 . . 4.300 2.091 1.937 2.449 . 0 0 "[ . 1 . 2]" 2
1350 2 32 TYR QD 2 49 GLN HA . . 4.380 3.550 3.059 4.213 . 0 0 "[ . 1 . 2]" 2
1351 2 49 GLN H 2 49 GLN HB3 . . 3.770 3.093 2.892 3.276 . 0 0 "[ . 1 . 2]" 2
1352 2 49 GLN HB3 2 50 LEU H . . 5.500 4.047 3.812 4.143 . 0 0 "[ . 1 . 2]" 2
1353 2 49 GLN QG 2 50 LEU H . . 4.780 3.820 3.515 4.532 . 0 0 "[ . 1 . 2]" 2
1354 2 50 LEU HG 2 51 GLU H . . 5.500 3.709 2.457 4.914 . 0 0 "[ . 1 . 2]" 2
1355 2 32 TYR QD 2 50 LEU MD1 . . 4.950 3.667 2.637 4.749 . 0 0 "[ . 1 . 2]" 2
1356 2 50 LEU HA 2 50 LEU MD1 . . 4.160 2.877 1.962 3.796 . 0 0 "[ . 1 . 2]" 2
1357 2 50 LEU MD2 2 51 GLU H . . 4.200 2.976 1.838 4.204 0.004 17 0 "[ . 1 . 2]" 2
1358 2 50 LEU MD2 2 51 GLU QG . . 5.500 3.953 2.684 5.535 0.035 10 0 "[ . 1 . 2]" 2
1359 2 51 GLU H 2 51 GLU HB3 . . 3.790 2.931 2.335 3.243 . 0 0 "[ . 1 . 2]" 2
1360 2 50 LEU MD1 2 51 GLU QG . . 5.500 3.991 2.662 5.425 . 0 0 "[ . 1 . 2]" 2
1361 2 54 SER HB3 2 55 LEU H . . 4.430 3.231 2.434 3.852 . 0 0 "[ . 1 . 2]" 2
1362 2 54 SER HB2 2 55 LEU HA . . 5.270 4.505 3.915 5.093 . 0 0 "[ . 1 . 2]" 2
1363 2 54 SER HB3 2 55 LEU HA . . 5.270 5.089 4.504 5.302 0.032 16 0 "[ . 1 . 2]" 2
1364 2 54 SER HB2 2 56 GLU HA . . 5.500 5.393 4.928 5.526 0.026 5 0 "[ . 1 . 2]" 2
1365 2 54 SER HB3 2 56 GLU HA . . 5.500 5.208 4.463 5.526 0.026 5 0 "[ . 1 . 2]" 2
1366 2 55 LEU H 2 55 LEU HG . . 5.020 3.931 2.222 4.960 . 0 0 "[ . 1 . 2]" 2
1367 2 56 GLU HA 2 56 GLU HG2 . . 4.200 3.605 3.432 3.858 . 0 0 "[ . 1 . 2]" 2
1368 2 56 GLU H 2 56 GLU HG3 . . 4.550 4.301 3.727 4.814 0.264 17 0 "[ . 1 . 2]" 2
1369 2 57 HIS HA 2 57 HIS HB2 . . 3.000 2.723 2.443 2.848 . 0 0 "[ . 1 . 2]" 2
1370 2 57 HIS HA 2 57 HIS HB3 . . 3.000 2.845 2.416 2.997 . 0 0 "[ . 1 . 2]" 2
1371 2 35 ILE MD 2 35 ILE MG . . 3.440 3.174 3.157 3.191 . 0 0 "[ . 1 . 2]" 2
1372 2 37 VAL MG1 2 38 THR MG . . 4.190 4.148 4.044 4.193 0.003 3 0 "[ . 1 . 2]" 2
1373 2 3 ARG H 2 3 ARG QD . . 4.880 4.042 3.820 4.672 . 0 0 "[ . 1 . 2]" 2
1374 2 3 ARG H 2 3 ARG HB3 . . 3.990 2.509 2.372 3.045 . 0 0 "[ . 1 . 2]" 2
1375 2 3 ARG H 2 3 ARG HB2 . . 3.990 2.925 2.548 3.104 . 0 0 "[ . 1 . 2]" 2
1376 2 3 ARG HG2 2 4 VAL H . . 4.400 2.322 2.022 3.319 . 0 0 "[ . 1 . 2]" 2
1377 2 5 ARG H 2 5 ARG QD . . 5.500 4.673 4.049 5.141 . 0 0 "[ . 1 . 2]" 2
1378 2 6 ILE H 2 6 ILE HB . . 3.880 2.692 2.633 2.749 . 0 0 "[ . 1 . 2]" 2
1379 2 6 ILE H 2 6 ILE MG . . 4.030 3.874 3.850 3.896 . 0 0 "[ . 1 . 2]" 2
1380 2 7 SER H 2 7 SER HB3 . . 3.970 3.416 2.415 3.727 . 0 0 "[ . 1 . 2]" 2
1381 2 7 SER H 2 7 SER HB2 . . 3.970 3.183 2.870 3.412 . 0 0 "[ . 1 . 2]" 2
1382 2 8 ILE H 2 8 ILE HG12 . . 4.200 2.753 2.056 4.023 . 0 0 "[ . 1 . 2]" 2
1383 2 9 THR H 2 9 THR MG . . 4.310 3.841 3.698 3.890 . 0 0 "[ . 1 . 2]" 2
1384 2 10 ALA H 2 10 ALA MB . . 3.590 2.298 2.207 2.488 . 0 0 "[ . 1 . 2]" 2
1385 2 11 ARG H 2 11 ARG QB . . 3.260 2.526 2.124 2.704 . 0 0 "[ . 1 . 2]" 2
1386 2 11 ARG H 2 11 ARG QG . . 4.010 2.413 1.904 3.998 . 0 0 "[ . 1 . 2]" 2
1387 2 12 THR H 2 12 THR MG . . 3.960 2.065 1.909 2.274 . 0 0 "[ . 1 . 2]" 2
1388 2 13 LYS H 2 13 LYS QG . . 4.420 1.932 1.897 1.975 . 0 0 "[ . 1 . 2]" 2
1389 2 14 LYS H 2 14 LYS HG3 . . 4.630 3.754 3.233 4.244 . 0 0 "[ . 1 . 2]" 2
1390 2 15 GLU H 2 15 GLU QG . . 3.730 3.061 2.737 3.745 0.015 8 0 "[ . 1 . 2]" 2
1391 2 15 GLU H 2 15 GLU HB2 . . 3.200 2.177 2.096 2.260 . 0 0 "[ . 1 . 2]" 2
1392 2 16 ALA H 2 16 ALA MB . . 3.200 2.057 2.025 2.124 . 0 0 "[ . 1 . 2]" 2
1393 2 17 GLU H 2 17 GLU HG2 . . 4.050 3.297 2.951 4.023 . 0 0 "[ . 1 . 2]" 2
1394 2 17 GLU H 2 17 GLU HB2 . . 3.920 2.572 2.109 3.469 . 0 0 "[ . 1 . 2]" 2
1395 2 17 GLU H 2 17 GLU HB3 . . 3.920 3.090 2.135 3.532 . 0 0 "[ . 1 . 2]" 2
1396 2 18 LYS H 2 18 LYS QB . . 3.150 2.427 2.274 2.527 . 0 0 "[ . 1 . 2]" 2
1397 2 18 LYS H 2 18 LYS HG2 . . 4.750 2.346 2.114 2.670 . 0 0 "[ . 1 . 2]" 2
1398 2 20 ALA H 2 20 ALA MB . . 3.280 2.030 2.024 2.039 . 0 0 "[ . 1 . 2]" 2
1399 2 21 ALA H 2 21 ALA MB . . 3.200 2.051 2.025 2.162 . 0 0 "[ . 1 . 2]" 2
1400 2 22 ILE H 2 22 ILE HB . . 3.340 2.526 2.512 2.547 . 0 0 "[ . 1 . 2]" 2
1401 2 22 ILE H 2 22 ILE HG13 . . 3.660 2.209 2.195 2.239 . 0 0 "[ . 1 . 2]" 2
1402 2 22 ILE H 2 22 ILE HG12 . . 3.680 3.701 3.681 3.732 0.052 14 0 "[ . 1 . 2]" 2
1403 2 23 LEU H 2 23 LEU HB2 . . 3.600 2.073 2.059 2.092 . 0 0 "[ . 1 . 2]" 2
1404 2 23 LEU H 2 23 LEU HB3 . . 3.860 3.376 3.347 3.408 . 0 0 "[ . 1 . 2]" 2
1405 2 22 ILE MG 2 23 LEU H . . 3.760 3.360 3.327 3.419 . 0 0 "[ . 1 . 2]" 2
1406 2 23 LEU H 2 23 LEU MD1 . . 4.550 4.072 4.025 4.123 . 0 0 "[ . 1 . 2]" 2
1407 2 24 ILE H 2 24 ILE HB . . 3.310 2.532 2.511 2.550 . 0 0 "[ . 1 . 2]" 2
1408 2 24 ILE H 2 24 ILE HG13 . . 3.580 2.179 2.149 2.218 . 0 0 "[ . 1 . 2]" 2
1409 2 24 ILE H 2 24 ILE MD . . 3.600 3.065 3.022 3.091 . 0 0 "[ . 1 . 2]" 2
1410 2 25 LYS H 2 25 LYS HB2 . . 3.750 2.534 2.157 2.560 . 0 0 "[ . 1 . 2]" 2
1411 2 25 LYS H 2 25 LYS HB3 . . 3.650 3.587 3.471 3.594 . 0 0 "[ . 1 . 2]" 2
1412 2 25 LYS H 2 25 LYS QD . . 4.310 4.164 4.070 4.187 . 0 0 "[ . 1 . 2]" 2
1413 2 25 LYS H 2 25 LYS HG2 . . 4.210 2.265 2.141 4.261 0.051 1 0 "[ . 1 . 2]" 2
1414 2 26 VAL H 2 26 VAL HB . . 3.540 2.684 2.674 2.702 . 0 0 "[ . 1 . 2]" 2
1415 2 26 VAL H 2 26 VAL MG2 . . 3.380 2.095 2.025 2.107 . 0 0 "[ . 1 . 2]" 2
1416 2 27 PHE H 2 27 PHE QD . . 4.220 3.301 3.216 3.376 . 0 0 "[ . 1 . 2]" 2
1417 2 27 PHE H 2 27 PHE HB2 . . 3.510 2.179 2.158 2.211 . 0 0 "[ . 1 . 2]" 2
1418 2 27 PHE H 2 27 PHE HB3 . . 3.640 3.488 3.469 3.512 . 0 0 "[ . 1 . 2]" 2
1419 2 29 GLU H 2 29 GLU HG2 . . 3.910 3.147 2.267 3.455 . 0 0 "[ . 1 . 2]" 2
1420 2 29 GLU H 2 29 GLU HB3 . . 3.990 2.343 2.265 2.516 . 0 0 "[ . 1 . 2]" 2
1421 2 30 LEU H 2 30 LEU HB3 . . 3.710 3.559 3.485 3.603 . 0 0 "[ . 1 . 2]" 2
1422 2 30 LEU H 2 30 LEU MD2 . . 4.670 4.055 3.838 4.344 . 0 0 "[ . 1 . 2]" 2
1423 2 30 LEU H 2 30 LEU MD1 . . 4.670 3.671 3.480 3.951 . 0 0 "[ . 1 . 2]" 2
1424 2 32 TYR H 2 32 TYR QD . . 3.390 2.152 2.127 2.201 . 0 0 "[ . 1 . 2]" 2
1425 2 32 TYR H 2 32 TYR QE . . 4.510 4.457 4.404 4.512 0.002 13 0 "[ . 1 . 2]" 2
1426 2 32 TYR H 2 32 TYR HB2 . . 3.770 2.409 2.388 2.438 . 0 0 "[ . 1 . 2]" 2
1427 2 33 ASN H 2 33 ASN QB . . 3.870 2.339 2.089 2.697 . 0 0 "[ . 1 . 2]" 2
1428 2 33 ASN QB 2 34 ASP H . . 3.440 3.065 2.450 3.308 . 0 0 "[ . 1 . 2]" 2
1429 2 34 ASP H 2 34 ASP HB2 . . 4.000 3.145 3.133 3.155 . 0 0 "[ . 1 . 2]" 2
1430 2 35 ILE H 2 35 ILE HB . . 3.400 2.223 2.185 2.268 . 0 0 "[ . 1 . 2]" 2
1431 2 35 ILE H 2 35 ILE MD . . 3.580 3.398 3.356 3.430 . 0 0 "[ . 1 . 2]" 2
1432 2 35 ILE H 2 35 ILE MG . . 4.010 3.083 3.065 3.096 . 0 0 "[ . 1 . 2]" 2
1433 2 36 ASN H 2 36 ASN QB . . 3.640 2.467 2.428 2.507 . 0 0 "[ . 1 . 2]" 2
1434 2 37 VAL H 2 37 VAL HB . . 3.430 2.813 2.747 2.895 . 0 0 "[ . 1 . 2]" 2
1435 2 37 VAL H 2 37 VAL MG2 . . 3.910 3.840 3.818 3.867 . 0 0 "[ . 1 . 2]" 2
1436 2 37 VAL H 2 37 VAL MG1 . . 3.760 1.999 1.919 2.068 . 0 0 "[ . 1 . 2]" 2
1437 2 38 THR H 2 38 THR HB . . 3.980 3.797 3.755 3.885 . 0 0 "[ . 1 . 2]" 2
1438 2 38 THR H 2 38 THR MG . . 4.140 3.160 2.981 3.311 . 0 0 "[ . 1 . 2]" 2
1439 2 39 TRP H 2 39 TRP HE3 . . 4.970 4.820 4.682 5.146 0.176 10 0 "[ . 1 . 2]" 2
1440 2 39 TRP H 2 39 TRP HD1 . . 4.340 2.499 2.135 2.705 . 0 0 "[ . 1 . 2]" 2
1441 2 39 TRP H 2 39 TRP HB2 . . 3.900 3.618 2.593 3.740 . 0 0 "[ . 1 . 2]" 2
1442 2 39 TRP H 2 39 TRP HB3 . . 3.900 2.992 2.894 3.594 . 0 0 "[ . 1 . 2]" 2
1443 2 40 ASP H 2 40 ASP HB2 . . 4.000 2.969 2.592 3.255 . 0 0 "[ . 1 . 2]" 2
1444 2 42 ASP H 2 42 ASP HB3 . . 4.140 3.622 3.242 4.026 . 0 0 "[ . 1 . 2]" 2
1445 2 43 THR H 2 43 THR MG . . 4.000 3.918 3.860 3.938 . 0 0 "[ . 1 . 2]" 2
1446 2 45 THR H 2 45 THR HB . . 3.650 2.811 2.710 2.874 . 0 0 "[ . 1 . 2]" 2
1447 2 46 VAL H 2 46 VAL HB . . 3.690 2.711 2.634 2.927 . 0 0 "[ . 1 . 2]" 2
1448 2 46 VAL H 2 46 VAL MG1 . . 3.600 2.105 2.047 2.187 . 0 0 "[ . 1 . 2]" 2
1449 2 46 VAL H 2 46 VAL MG2 . . 4.020 3.831 3.806 3.892 . 0 0 "[ . 1 . 2]" 2
1450 2 47 GLU H 2 47 GLU HB2 . . 4.070 2.510 2.438 2.668 . 0 0 "[ . 1 . 2]" 2
1451 2 49 GLN H 2 49 GLN QG . . 3.730 2.715 1.967 3.092 . 0 0 "[ . 1 . 2]" 2
1452 2 49 GLN H 2 49 GLN HB2 . . 3.940 3.830 3.749 3.933 . 0 0 "[ . 1 . 2]" 2
1453 2 50 LEU H 2 50 LEU HB2 . . 3.530 2.657 2.413 2.985 . 0 0 "[ . 1 . 2]" 2
1454 2 50 LEU H 2 50 LEU HG . . 4.990 4.583 4.316 4.981 . 0 0 "[ . 1 . 2]" 2
1455 2 50 LEU H 2 50 LEU MD1 . . 4.790 4.297 4.055 4.462 . 0 0 "[ . 1 . 2]" 2
1456 2 51 GLU H 2 51 GLU QG . . 3.830 2.160 1.937 3.869 0.039 10 0 "[ . 1 . 2]" 2
1457 2 55 LEU H 2 55 LEU HB2 . . 3.940 2.732 2.230 3.836 . 0 0 "[ . 1 . 2]" 2
1458 2 56 GLU H 2 56 GLU HG2 . . 4.550 3.705 2.163 4.570 0.020 14 0 "[ . 1 . 2]" 2
1459 2 56 GLU H 2 56 GLU HB2 . . 4.080 3.353 2.646 4.080 . 16 0 "[ . 1 . 2]" 2
1460 2 56 GLU H 2 56 GLU HB3 . . 4.080 2.731 2.330 3.453 . 0 0 "[ . 1 . 2]" 2
1461 2 3 ARG H 2 4 VAL H . . 4.790 4.510 4.389 4.572 . 0 0 "[ . 1 . 2]" 2
1462 2 2 GLU HA 2 3 ARG H . . 3.050 2.395 2.172 2.845 . 0 0 "[ . 1 . 2]" 2
1463 2 2 GLU QG 2 3 ARG H . . 3.970 3.667 3.266 3.989 0.019 5 0 "[ . 1 . 2]" 2
1464 2 2 GLU HB2 2 3 ARG H . . 4.590 4.260 2.576 4.600 0.010 12 0 "[ . 1 . 2]" 2
1465 2 3 ARG H 2 3 ARG HG2 . . 4.860 4.480 4.407 4.555 . 0 0 "[ . 1 . 2]" 2
1466 2 4 VAL H 2 5 ARG H . . 4.560 4.313 4.253 4.408 . 0 0 "[ . 1 . 2]" 2
1467 2 4 VAL H 2 48 GLY H . . 4.100 3.381 3.232 3.504 . 0 0 "[ . 1 . 2]" 2
1468 2 4 VAL H 2 49 GLN HA . . 4.220 3.413 3.171 3.665 . 0 0 "[ . 1 . 2]" 2
1469 2 3 ARG HA 2 4 VAL H . . 3.120 2.220 2.156 2.254 . 0 0 "[ . 1 . 2]" 2
1470 2 3 ARG QD 2 4 VAL H . . 4.700 3.034 2.135 3.511 . 0 0 "[ . 1 . 2]" 2
1471 2 5 ARG H 2 6 ILE HA . . 4.870 4.817 4.775 4.837 . 0 0 "[ . 1 . 2]" 2
1472 2 4 VAL MG1 2 5 ARG H . . 4.430 2.544 2.354 2.768 . 0 0 "[ . 1 . 2]" 2
1473 2 6 ILE H 2 46 VAL H . . 4.220 3.184 2.850 3.401 . 0 0 "[ . 1 . 2]" 2
1474 2 6 ILE H 2 47 GLU HA . . 4.030 3.857 3.763 3.967 . 0 0 "[ . 1 . 2]" 2
1475 2 6 ILE H 2 45 THR HA . . 5.080 4.725 4.494 4.930 . 0 0 "[ . 1 . 2]" 2
1476 2 5 ARG HA 2 6 ILE H . . 3.240 2.147 2.140 2.160 . 0 0 "[ . 1 . 2]" 2
1477 2 6 ILE H 2 46 VAL HB . . 4.670 4.620 4.551 4.668 . 0 0 "[ . 1 . 2]" 2
1478 2 5 ARG QB 2 6 ILE H . . 4.000 3.780 3.720 3.834 . 0 0 "[ . 1 . 2]" 2
1479 2 6 ILE H 2 45 THR MG . . 3.980 3.252 2.851 3.540 . 0 0 "[ . 1 . 2]" 2
1480 2 7 SER H 2 8 ILE H . . 4.600 4.403 4.336 4.453 . 0 0 "[ . 1 . 2]" 2
1481 2 6 ILE HA 2 7 SER H . . 3.210 2.146 2.145 2.147 . 0 0 "[ . 1 . 2]" 2
1482 2 7 SER H 2 8 ILE HA . . 5.110 4.964 4.940 4.998 . 0 0 "[ . 1 . 2]" 2
1483 2 6 ILE HB 2 7 SER H . . 4.240 4.180 4.132 4.226 . 0 0 "[ . 1 . 2]" 2
1484 2 6 ILE MG 2 7 SER H . . 3.310 2.430 2.403 2.563 . 0 0 "[ . 1 . 2]" 2
1485 2 8 ILE H 2 9 THR H . . 4.810 4.456 4.447 4.460 . 0 0 "[ . 1 . 2]" 2
1486 2 8 ILE H 2 44 VAL H . . 5.050 3.890 3.411 4.600 . 0 0 "[ . 1 . 2]" 2
1487 2 7 SER HA 2 8 ILE H . . 3.330 2.159 2.138 2.189 . 0 0 "[ . 1 . 2]" 2
1488 2 8 ILE H 2 45 THR HA . . 3.840 3.228 3.018 3.507 . 0 0 "[ . 1 . 2]" 2
1489 2 7 SER HB3 2 8 ILE H . . 4.310 3.698 3.310 4.336 0.026 17 0 "[ . 1 . 2]" 2
1490 2 8 ILE H 2 43 THR MG . . 4.250 3.614 2.871 4.263 0.013 16 0 "[ . 1 . 2]" 2
1491 2 8 ILE HA 2 9 THR H . . 3.420 2.178 2.176 2.179 . 0 0 "[ . 1 . 2]" 2
1492 2 10 ALA H 2 11 ARG H . . 4.690 4.523 4.444 4.556 . 0 0 "[ . 1 . 2]" 2
1493 2 9 THR H 2 10 ALA H . . 4.840 3.948 3.659 4.379 . 0 0 "[ . 1 . 2]" 2
1494 2 10 ALA H 2 44 VAL H . . 5.200 4.342 3.881 4.800 . 0 0 "[ . 1 . 2]" 2
1495 2 9 THR HA 2 10 ALA H . . 3.180 2.271 2.144 2.430 . 0 0 "[ . 1 . 2]" 2
1496 2 9 THR HB 2 10 ALA H . . 4.250 4.242 3.868 4.366 0.116 14 0 "[ . 1 . 2]" 2
1497 2 9 THR MG 2 10 ALA H . . 3.760 3.453 2.735 3.779 0.019 9 0 "[ . 1 . 2]" 2
1498 2 11 ARG H 2 12 THR H . . 3.780 2.615 2.380 2.872 . 0 0 "[ . 1 . 2]" 2
1499 2 10 ALA HA 2 11 ARG H . . 3.440 2.413 2.235 2.466 . 0 0 "[ . 1 . 2]" 2
1500 2 11 ARG H 2 12 THR HA . . 5.240 5.169 5.017 5.285 0.045 11 0 "[ . 1 . 2]" 2
1501 2 10 ALA MB 2 11 ARG H . . 3.450 2.501 2.266 2.866 . 0 0 "[ . 1 . 2]" 2
1502 2 11 ARG H 2 12 THR MG . . 4.400 3.938 3.490 4.370 . 0 0 "[ . 1 . 2]" 2
1503 2 14 LYS H 2 16 ALA H . . 4.810 4.378 4.116 4.516 . 0 0 "[ . 1 . 2]" 2
1504 2 14 LYS H 2 15 GLU HB2 . . 4.640 4.613 4.523 4.656 0.016 7 0 "[ . 1 . 2]" 2
1505 2 13 LYS H 2 15 GLU H . . 5.190 4.220 3.886 4.465 . 0 0 "[ . 1 . 2]" 2
1506 2 15 GLU H 2 17 GLU H . . 5.500 4.042 3.957 4.256 . 0 0 "[ . 1 . 2]" 2
1507 2 14 LYS H 2 15 GLU H . . 3.820 2.707 2.619 2.754 . 0 0 "[ . 1 . 2]" 2
1508 2 15 GLU H 2 16 ALA H . . 3.230 2.694 2.577 2.769 . 0 0 "[ . 1 . 2]" 2
1509 2 13 LYS HA 2 15 GLU H . . 4.270 4.185 4.014 4.277 0.007 6 0 "[ . 1 . 2]" 2
1510 2 10 ALA MB 2 15 GLU H . . 4.080 3.914 3.668 4.072 . 0 0 "[ . 1 . 2]" 2
1511 2 12 THR MG 2 15 GLU H . . 4.160 1.943 1.839 2.126 . 0 0 "[ . 1 . 2]" 2
1512 2 16 ALA H 2 17 GLU H . . 3.690 2.667 2.579 2.729 . 0 0 "[ . 1 . 2]" 2
1513 2 13 LYS HA 2 16 ALA H . . 4.550 3.440 3.297 3.565 . 0 0 "[ . 1 . 2]" 2
1514 2 15 GLU QG 2 16 ALA H . . 4.590 4.323 4.166 4.608 0.018 8 0 "[ . 1 . 2]" 2
1515 2 15 GLU HB2 2 16 ALA H . . 3.520 2.713 2.522 3.117 . 0 0 "[ . 1 . 2]" 2
1516 2 15 GLU HB3 2 16 ALA H . . 3.770 3.108 2.885 3.470 . 0 0 "[ . 1 . 2]" 2
1517 2 17 GLU H 2 20 ALA H . . 4.900 4.728 4.588 4.831 . 0 0 "[ . 1 . 2]" 2
1518 2 14 LYS HA 2 17 GLU H . . 4.200 3.601 3.378 3.754 . 0 0 "[ . 1 . 2]" 2
1519 2 16 ALA MB 2 17 GLU H . . 3.820 2.705 2.607 2.750 . 0 0 "[ . 1 . 2]" 2
1520 2 17 GLU H 2 20 ALA MB . . 4.690 4.513 4.263 4.706 0.016 10 0 "[ . 1 . 2]" 2
1521 2 17 GLU H 2 18 LYS H . . 4.000 2.677 2.550 2.769 . 0 0 "[ . 1 . 2]" 2
1522 2 18 LYS H 2 20 ALA H . . 4.760 4.181 4.049 4.268 . 0 0 "[ . 1 . 2]" 2
1523 2 18 LYS H 2 19 PHE H . . 3.960 2.659 2.575 2.753 . 0 0 "[ . 1 . 2]" 2
1524 2 18 LYS H 2 19 PHE QD . . 5.500 4.477 4.195 4.911 . 0 0 "[ . 1 . 2]" 2
1525 2 18 LYS H 2 19 PHE HB2 . . 5.170 4.673 4.550 4.781 . 0 0 "[ . 1 . 2]" 2
1526 2 17 GLU HB2 2 18 LYS H . . 4.110 3.232 2.727 4.125 0.015 15 0 "[ . 1 . 2]" 2
1527 2 17 GLU HB3 2 18 LYS H . . 4.110 3.349 3.144 3.537 . 0 0 "[ . 1 . 2]" 2
1528 2 18 LYS H 2 20 ALA MB . . 4.860 4.759 4.568 4.864 0.004 17 0 "[ . 1 . 2]" 2
1529 2 8 ILE MD 2 19 PHE H . . 4.300 3.749 3.534 4.096 . 0 0 "[ . 1 . 2]" 2
1530 2 19 PHE QD 2 20 ALA H . . 4.760 4.409 4.313 4.517 . 0 0 "[ . 1 . 2]" 2
1531 2 17 GLU HA 2 20 ALA H . . 4.040 3.360 3.207 3.518 . 0 0 "[ . 1 . 2]" 2
1532 2 18 LYS QB 2 20 ALA H . . 4.880 4.790 4.580 4.866 . 0 0 "[ . 1 . 2]" 2
1533 2 8 ILE MD 2 20 ALA H . . 3.780 3.116 2.710 3.380 . 0 0 "[ . 1 . 2]" 2
1534 2 20 ALA H 2 21 ALA H . . 3.810 2.791 2.779 2.810 . 0 0 "[ . 1 . 2]" 2
1535 2 20 ALA MB 2 21 ALA H . . 3.620 2.613 2.579 2.665 . 0 0 "[ . 1 . 2]" 2
1536 2 22 ILE H 2 24 ILE H . . 4.330 4.089 4.041 4.129 . 0 0 "[ . 1 . 2]" 2
1537 2 22 ILE H 2 23 LEU HB2 . . 4.580 4.400 4.382 4.429 . 0 0 "[ . 1 . 2]" 2
1538 2 21 ALA MB 2 22 ILE H . . 3.550 2.601 2.518 2.676 . 0 0 "[ . 1 . 2]" 2
1539 2 23 LEU H 2 24 ILE H . . 3.960 2.796 2.770 2.814 . 0 0 "[ . 1 . 2]" 2
1540 2 22 ILE H 2 23 LEU H . . 3.680 2.675 2.656 2.698 . 0 0 "[ . 1 . 2]" 2
1541 2 22 ILE HG13 2 23 LEU H . . 4.400 4.262 4.242 4.287 . 0 0 "[ . 1 . 2]" 2
1542 2 23 LEU H 2 26 VAL MG2 . . 4.390 4.015 3.989 4.036 . 0 0 "[ . 1 . 2]" 2
1543 2 22 ILE MD 2 23 LEU H . . 4.430 4.076 3.953 4.148 . 0 0 "[ . 1 . 2]" 2
1544 2 24 ILE H 2 26 VAL H . . 4.470 4.182 4.166 4.274 . 0 0 "[ . 1 . 2]" 2
1545 2 21 ALA MB 2 24 ILE H . . 4.950 4.767 4.737 4.807 . 0 0 "[ . 1 . 2]" 2
1546 2 24 ILE H 2 35 ILE MG . . 5.240 5.031 4.781 5.156 . 0 0 "[ . 1 . 2]" 2
1547 2 24 ILE H 2 46 VAL MG2 . . 5.500 4.731 4.627 4.868 . 0 0 "[ . 1 . 2]" 2
1548 2 24 ILE H 2 25 LYS H . . 3.940 2.728 2.700 2.782 . 0 0 "[ . 1 . 2]" 2
1549 2 25 LYS H 2 26 VAL H . . 3.720 2.650 2.637 2.705 . 0 0 "[ . 1 . 2]" 2
1550 2 25 LYS H 2 26 VAL HB . . 5.130 5.035 5.010 5.065 . 0 0 "[ . 1 . 2]" 2
1551 2 24 ILE MG 2 25 LYS H . . 3.720 3.393 3.286 3.445 . 0 0 "[ . 1 . 2]" 2
1552 2 24 ILE MD 2 25 LYS H . . 4.190 4.162 4.115 4.194 0.004 11 0 "[ . 1 . 2]" 2
1553 2 26 VAL H 2 27 PHE HB2 . . 5.500 4.563 4.537 4.668 . 0 0 "[ . 1 . 2]" 2
1554 2 25 LYS HB2 2 26 VAL H . . 3.570 2.583 2.572 2.736 . 0 0 "[ . 1 . 2]" 2
1555 2 24 ILE HB 2 26 VAL H . . 5.190 5.023 4.996 5.055 . 0 0 "[ . 1 . 2]" 2
1556 2 26 VAL H 2 27 PHE H . . 3.830 2.653 2.640 2.746 . 0 0 "[ . 1 . 2]" 2
1557 2 27 PHE H 2 28 ALA H . . 4.030 2.597 2.561 2.616 . 0 0 "[ . 1 . 2]" 2
1558 2 24 ILE HA 2 27 PHE H . . 4.250 3.585 3.560 3.683 . 0 0 "[ . 1 . 2]" 2
1559 2 26 VAL HB 2 27 PHE H . . 3.720 2.613 2.595 2.623 . 0 0 "[ . 1 . 2]" 2
1560 2 27 PHE H 2 28 ALA MB . . 4.380 4.273 4.241 4.291 . 0 0 "[ . 1 . 2]" 2
1561 2 26 VAL MG2 2 27 PHE H . . 4.010 3.687 3.675 3.712 . 0 0 "[ . 1 . 2]" 2
1562 2 26 VAL MG1 2 27 PHE H . . 3.880 3.694 3.652 3.725 . 0 0 "[ . 1 . 2]" 2
1563 2 25 LYS HA 2 28 ALA H . . 4.640 3.534 3.416 3.553 . 0 0 "[ . 1 . 2]" 2
1564 2 27 PHE HB2 2 28 ALA H . . 4.330 2.809 2.762 2.839 . 0 0 "[ . 1 . 2]" 2
1565 2 28 ALA H 2 35 ILE MD . . 4.860 4.247 4.194 4.297 . 0 0 "[ . 1 . 2]" 2
1566 2 28 ALA H 2 29 GLU H . . 4.200 2.718 2.702 2.728 . 0 0 "[ . 1 . 2]" 2
1567 2 25 LYS HA 2 29 GLU H . . 5.040 3.978 3.818 4.114 . 0 0 "[ . 1 . 2]" 2
1568 2 29 GLU H 2 30 LEU H . . 3.680 2.545 2.542 2.551 . 0 0 "[ . 1 . 2]" 2
1569 2 30 LEU H 2 32 TYR H . . 4.250 3.325 3.255 3.414 . 0 0 "[ . 1 . 2]" 2
1570 2 30 LEU H 2 32 TYR QD . . 4.290 3.767 3.729 3.827 . 0 0 "[ . 1 . 2]" 2
1571 2 29 GLU HG3 2 30 LEU H . . 4.050 2.474 2.383 2.743 . 0 0 "[ . 1 . 2]" 2
1572 2 29 GLU HB3 2 30 LEU H . . 4.110 3.985 3.916 4.127 0.017 19 0 "[ . 1 . 2]" 2
1573 2 31 GLY H 2 32 TYR H . . 3.450 2.356 2.238 2.432 . 0 0 "[ . 1 . 2]" 2
1574 2 31 GLY H 2 32 TYR QD . . 4.180 3.510 3.382 3.669 . 0 0 "[ . 1 . 2]" 2
1575 2 28 ALA HA 2 31 GLY H . . 4.140 3.590 3.438 3.725 . 0 0 "[ . 1 . 2]" 2
1576 2 29 GLU HA 2 31 GLY H . . 4.440 3.651 3.552 3.823 . 0 0 "[ . 1 . 2]" 2
1577 2 31 GLY H 2 32 TYR HB2 . . 4.960 4.558 4.444 4.685 . 0 0 "[ . 1 . 2]" 2
1578 2 30 LEU HB3 2 31 GLY H . . 4.510 4.092 3.964 4.162 . 0 0 "[ . 1 . 2]" 2
1579 2 30 LEU HB2 2 31 GLY H . . 5.500 3.529 3.330 3.708 . 0 0 "[ . 1 . 2]" 2
1580 2 30 LEU HG 2 31 GLY H . . 5.120 4.884 4.776 5.009 . 0 0 "[ . 1 . 2]" 2
1581 2 32 TYR H 2 33 ASN H . . 4.100 2.968 2.876 3.010 . 0 0 "[ . 1 . 2]" 2
1582 2 33 ASN H 2 34 ASP H . . 4.700 4.645 4.644 4.646 . 0 0 "[ . 1 . 2]" 2
1583 2 32 TYR QD 2 33 ASN H . . 4.910 4.700 4.671 4.726 . 0 0 "[ . 1 . 2]" 2
1584 2 32 TYR HA 2 33 ASN H . . 3.400 2.864 2.842 2.920 . 0 0 "[ . 1 . 2]" 2
1585 2 32 TYR HB2 2 33 ASN H . . 4.140 4.177 4.112 4.202 0.062 14 0 "[ . 1 . 2]" 2
1586 2 32 TYR HB3 2 33 ASN H . . 4.590 4.428 4.419 4.437 . 0 0 "[ . 1 . 2]" 2
1587 2 34 ASP H 2 35 ILE MD . . 4.500 4.416 4.338 4.491 . 0 0 "[ . 1 . 2]" 2
1588 2 35 ILE H 2 36 ASN H . . 4.770 4.583 4.565 4.599 . 0 0 "[ . 1 . 2]" 2
1589 2 34 ASP H 2 35 ILE H . . 4.030 2.774 2.706 2.940 . 0 0 "[ . 1 . 2]" 2
1590 2 33 ASN HA 2 35 ILE H . . 4.610 4.093 3.938 4.355 . 0 0 "[ . 1 . 2]" 2
1591 2 36 ASN H 2 47 GLU HB2 . . 5.140 3.682 3.191 4.394 . 0 0 "[ . 1 . 2]" 2
1592 2 36 ASN H 2 47 GLU HB3 . . 5.140 3.993 3.542 4.503 . 0 0 "[ . 1 . 2]" 2
1593 2 35 ILE HG12 2 36 ASN H . . 4.050 3.981 3.923 4.054 0.004 15 0 "[ . 1 . 2]" 2
1594 2 36 ASN H 2 37 VAL H . . 4.300 4.274 4.226 4.319 0.019 19 0 "[ . 1 . 2]" 2
1595 2 36 ASN HA 2 37 VAL H . . 3.090 2.145 2.140 2.155 . 0 0 "[ . 1 . 2]" 2
1596 2 37 VAL H 2 46 VAL HA . . 5.010 4.786 4.666 4.871 . 0 0 "[ . 1 . 2]" 2
1597 2 36 ASN QB 2 37 VAL H . . 3.790 3.347 3.265 3.423 . 0 0 "[ . 1 . 2]" 2
1598 2 37 VAL H 2 38 THR H . . 4.630 4.503 4.469 4.521 . 0 0 "[ . 1 . 2]" 2
1599 2 37 VAL HA 2 38 THR H . . 3.100 2.184 2.174 2.187 . 0 0 "[ . 1 . 2]" 2
1600 2 38 THR H 2 45 THR HB . . 4.330 3.691 3.406 3.868 . 0 0 "[ . 1 . 2]" 2
1601 2 37 VAL MG1 2 38 THR H . . 3.850 3.777 3.722 3.855 0.005 10 0 "[ . 1 . 2]" 2
1602 2 37 VAL MG2 2 38 THR H . . 3.710 2.134 2.094 2.335 . 0 0 "[ . 1 . 2]" 2
1603 2 38 THR H 2 39 TRP H . . 5.190 4.149 4.068 4.332 . 0 0 "[ . 1 . 2]" 2
1604 2 39 TRP H 2 45 THR H . . 5.500 4.775 4.437 5.133 . 0 0 "[ . 1 . 2]" 2
1605 2 39 TRP H 2 40 ASP H . . 4.830 4.480 4.371 4.585 . 0 0 "[ . 1 . 2]" 2
1606 2 38 THR HA 2 39 TRP H . . 3.180 2.146 2.141 2.170 . 0 0 "[ . 1 . 2]" 2
1607 2 38 THR HB 2 39 TRP H . . 3.980 3.507 3.166 3.585 . 0 0 "[ . 1 . 2]" 2
1608 2 38 THR MG 2 39 TRP H . . 4.100 3.962 3.715 4.101 0.001 9 0 "[ . 1 . 2]" 2
1609 2 39 TRP HE3 2 40 ASP H . . 4.380 3.899 3.244 4.384 0.004 8 0 "[ . 1 . 2]" 2
1610 2 40 ASP H 2 44 VAL HA . . 5.010 3.780 3.398 4.629 . 0 0 "[ . 1 . 2]" 2
1611 2 42 ASP H 2 43 THR H . . 3.460 2.097 1.888 2.669 . 0 0 "[ . 1 . 2]" 2
1612 2 43 THR HA 2 44 VAL H . . 3.420 2.155 2.142 2.167 . 0 0 "[ . 1 . 2]" 2
1613 2 44 VAL HA 2 45 THR H . . 3.320 2.163 2.146 2.183 . 0 0 "[ . 1 . 2]" 2
1614 2 37 VAL MG1 2 45 THR H . . 5.500 5.397 5.210 5.510 0.010 18 0 "[ . 1 . 2]" 2
1615 2 45 THR H 2 46 VAL H . . 4.460 4.297 4.206 4.478 0.018 17 0 "[ . 1 . 2]" 2
1616 2 46 VAL H 2 47 GLU H . . 4.780 4.526 4.442 4.554 . 0 0 "[ . 1 . 2]" 2
1617 2 7 SER HA 2 46 VAL H . . 3.900 3.276 3.205 3.378 . 0 0 "[ . 1 . 2]" 2
1618 2 45 THR HA 2 46 VAL H . . 3.210 2.159 2.141 2.283 . 0 0 "[ . 1 . 2]" 2
1619 2 5 ARG HA 2 46 VAL H . . 5.140 4.809 4.427 4.976 . 0 0 "[ . 1 . 2]" 2
1620 2 37 VAL HA 2 46 VAL H . . 5.500 4.820 4.724 4.922 . 0 0 "[ . 1 . 2]" 2
1621 2 45 THR HB 2 46 VAL H . . 4.460 4.086 3.639 4.214 . 0 0 "[ . 1 . 2]" 2
1622 2 45 THR MG 2 46 VAL H . . 3.600 2.607 2.059 2.919 . 0 0 "[ . 1 . 2]" 2
1623 2 36 ASN H 2 47 GLU H . . 3.880 2.979 2.809 3.138 . 0 0 "[ . 1 . 2]" 2
1624 2 46 VAL HA 2 47 GLU H . . 3.240 2.192 2.183 2.202 . 0 0 "[ . 1 . 2]" 2
1625 2 36 ASN QB 2 47 GLU H . . 4.790 3.887 3.680 4.049 . 0 0 "[ . 1 . 2]" 2
1626 2 36 ASN H 2 48 GLY H . . 5.320 4.903 4.854 4.998 . 0 0 "[ . 1 . 2]" 2
1627 2 47 GLU HA 2 48 GLY H . . 3.390 2.147 2.143 2.160 . 0 0 "[ . 1 . 2]" 2
1628 2 5 ARG HA 2 48 GLY H . . 4.640 3.434 3.283 3.633 . 0 0 "[ . 1 . 2]" 2
1629 2 49 GLN H 2 50 LEU H . . 4.500 4.420 4.289 4.492 . 0 0 "[ . 1 . 2]" 2
1630 2 32 TYR QD 2 49 GLN H . . 4.390 3.621 3.306 3.809 . 0 0 "[ . 1 . 2]" 2
1631 2 49 GLN H 2 49 GLN HE21 . . 3.500 2.614 1.967 3.512 0.012 3 0 "[ . 1 . 2]" 2
1632 2 48 GLY HA3 2 49 GLN H . . 3.480 2.874 2.673 3.042 . 0 0 "[ . 1 . 2]" 2
1633 2 32 TYR HA 2 49 GLN H . . 4.200 4.079 3.822 4.210 0.010 14 0 "[ . 1 . 2]" 2
1634 2 48 GLY HA2 2 49 GLN H . . 3.480 2.307 2.196 2.459 . 0 0 "[ . 1 . 2]" 2
1635 2 32 TYR HB3 2 49 GLN H . . 4.400 3.448 3.118 3.608 . 0 0 "[ . 1 . 2]" 2
1636 2 35 ILE HG13 2 49 GLN H . . 4.600 4.607 4.534 4.641 0.041 14 0 "[ . 1 . 2]" 2
1637 2 32 TYR QD 2 50 LEU H . . 4.480 4.074 3.635 4.479 . 0 0 "[ . 1 . 2]" 2
1638 2 32 TYR QE 2 50 LEU H . . 4.370 4.118 3.701 4.438 0.068 16 0 "[ . 1 . 2]" 2
1639 2 49 GLN HA 2 50 LEU H . . 3.280 2.251 2.162 2.333 . 0 0 "[ . 1 . 2]" 2
1640 2 3 ARG HA 2 50 LEU H . . 4.020 3.706 3.431 3.888 . 0 0 "[ . 1 . 2]" 2
1641 2 2 GLU QG 2 50 LEU H . . 4.960 3.770 1.932 4.956 . 0 0 "[ . 1 . 2]" 2
1642 2 50 LEU HA 2 51 GLU H . . 3.300 2.198 2.140 2.284 . 0 0 "[ . 1 . 2]" 2
1643 2 50 LEU MD1 2 51 GLU H . . 4.200 3.029 1.957 4.255 0.055 12 0 "[ . 1 . 2]" 2
1644 2 54 SER HA 2 55 LEU H . . 3.570 2.720 2.139 3.570 0.000 12 0 "[ . 1 . 2]" 2
1645 2 54 SER HB2 2 55 LEU H . . 4.430 3.195 1.981 4.381 . 0 0 "[ . 1 . 2]" 2
1646 2 54 SER HA 2 56 GLU H . . 5.090 4.601 3.946 5.096 0.006 13 0 "[ . 1 . 2]" 2
1647 2 36 ASN HD21 2 38 THR MG . . 4.930 4.035 4.026 4.060 . 0 0 "[ . 1 . 2]" 2
1648 2 36 ASN HD22 2 38 THR MG . . 5.470 5.472 5.469 5.476 0.006 18 0 "[ . 1 . 2]" 2
1649 2 37 VAL MG1 2 39 TRP HE1 . . 5.110 4.918 3.648 5.113 0.003 8 0 "[ . 1 . 2]" 2
1650 2 34 ASP HB2 2 49 GLN HE21 . . 4.380 3.916 3.057 4.315 . 0 0 "[ . 1 . 2]" 2
1651 2 49 GLN HE22 2 49 GLN QG . . 3.490 3.248 3.217 3.271 . 0 0 "[ . 1 . 2]" 2
1652 2 4 VAL H 2 32 TYR QE . . 4.790 4.071 3.614 4.468 . 0 0 "[ . 1 . 2]" 2
1653 2 4 VAL H 2 27 PHE QE . . 5.500 4.957 4.711 5.342 . 0 0 "[ . 1 . 2]" 2
1654 2 4 VAL H 2 4 VAL MG2 . . 4.280 2.718 2.486 2.852 . 0 0 "[ . 1 . 2]" 2
1655 2 4 VAL HA 2 5 ARG H . . 3.180 2.149 2.142 2.160 . 0 0 "[ . 1 . 2]" 2
1656 2 5 ARG H 2 5 ARG HG2 . . 4.370 4.378 4.324 4.425 0.055 17 0 "[ . 1 . 2]" 2
1657 2 4 VAL MG2 2 5 ARG H . . 4.430 4.060 3.985 4.105 . 0 0 "[ . 1 . 2]" 2
1658 2 6 ILE H 2 27 PHE QE . . 4.710 4.323 4.091 4.509 . 0 0 "[ . 1 . 2]" 2
1659 2 6 ILE H 2 46 VAL HA . . 5.270 4.781 4.745 4.825 . 0 0 "[ . 1 . 2]" 2
1660 2 6 ILE H 2 47 GLU HG2 . . 5.500 5.123 4.722 5.456 . 0 0 "[ . 1 . 2]" 2
1661 2 6 ILE H 2 47 GLU HG3 . . 5.500 5.007 4.585 5.452 . 0 0 "[ . 1 . 2]" 2
1662 2 6 ILE H 2 6 ILE MD . . 5.230 4.044 3.944 4.101 . 0 0 "[ . 1 . 2]" 2
1663 2 6 ILE H 2 7 SER H . . 4.440 4.317 4.296 4.353 . 0 0 "[ . 1 . 2]" 2
1664 2 7 SER H 2 45 THR HA . . 4.980 4.557 4.429 4.637 . 0 0 "[ . 1 . 2]" 2
1665 2 6 ILE HG13 2 7 SER H . . 5.500 5.078 4.920 5.158 . 0 0 "[ . 1 . 2]" 2
1666 2 6 ILE MD 2 7 SER H . . 5.270 5.138 5.120 5.177 . 0 0 "[ . 1 . 2]" 2
1667 2 8 ILE H 2 45 THR MG . . 4.720 4.398 4.068 4.721 0.001 9 0 "[ . 1 . 2]" 2
1668 2 9 THR H 2 10 ALA HA . . 5.300 4.894 4.790 5.068 . 0 0 "[ . 1 . 2]" 2
1669 2 10 ALA H 2 43 THR MG . . 4.750 3.936 3.357 4.762 0.012 16 0 "[ . 1 . 2]" 2
1670 2 11 ARG H 2 11 ARG HD2 . . 5.500 3.958 2.222 5.363 . 0 0 "[ . 1 . 2]" 2
1671 2 11 ARG H 2 11 ARG HD3 . . 5.500 4.079 2.367 4.772 . 0 0 "[ . 1 . 2]" 2
1672 2 12 THR HB 2 13 LYS H . . 3.800 3.708 3.550 3.805 0.005 18 0 "[ . 1 . 2]" 2
1673 2 13 LYS H 2 14 LYS H . . 4.210 2.622 2.316 2.747 . 0 0 "[ . 1 . 2]" 2
1674 2 12 THR HB 2 14 LYS H . . 4.610 4.362 4.139 4.494 . 0 0 "[ . 1 . 2]" 2
1675 2 13 LYS QG 2 14 LYS H . . 4.030 2.156 1.997 2.365 . 0 0 "[ . 1 . 2]" 2
1676 2 15 GLU H 2 16 ALA HA . . 5.500 5.292 5.198 5.353 . 0 0 "[ . 1 . 2]" 2
1677 2 12 THR HB 2 15 GLU H . . 4.700 4.573 4.464 4.705 0.005 9 0 "[ . 1 . 2]" 2
1678 2 12 THR MG 2 16 ALA H . . 4.610 3.805 3.635 3.995 . 0 0 "[ . 1 . 2]" 2
1679 2 19 PHE H 2 20 ALA H . . 3.410 2.488 2.292 2.598 . 0 0 "[ . 1 . 2]" 2
1680 2 20 ALA H 2 21 ALA MB . . 4.530 4.315 4.302 4.357 . 0 0 "[ . 1 . 2]" 2
1681 2 21 ALA MB 2 23 LEU H . . 5.050 4.635 4.575 4.690 . 0 0 "[ . 1 . 2]" 2
1682 2 21 ALA HA 2 25 LYS H . . 4.930 4.718 4.601 4.838 . 0 0 "[ . 1 . 2]" 2
1683 2 27 PHE H 2 29 GLU H . . 4.240 4.190 4.150 4.229 . 0 0 "[ . 1 . 2]" 2
1684 2 34 ASP HB3 2 35 ILE H . . 4.500 4.337 4.309 4.401 . 0 0 "[ . 1 . 2]" 2
1685 2 40 ASP H 2 43 THR H . . 4.420 3.084 2.774 3.373 . 0 0 "[ . 1 . 2]" 2
1686 2 39 TRP HA 2 40 ASP H . . 3.330 2.183 2.140 2.231 . 0 0 "[ . 1 . 2]" 2
1687 2 39 TRP HA 2 45 THR H . . 4.150 3.261 2.959 3.589 . 0 0 "[ . 1 . 2]" 2
1688 2 37 VAL HA 2 47 GLU H . . 4.060 3.193 3.084 3.400 . 0 0 "[ . 1 . 2]" 2
1689 2 4 VAL HB 2 48 GLY H . . 5.490 3.676 3.426 4.027 . 0 0 "[ . 1 . 2]" 2
1690 2 47 GLU HG2 2 48 GLY H . . 5.410 3.819 2.911 4.684 . 0 0 "[ . 1 . 2]" 2
1691 2 47 GLU HG3 2 48 GLY H . . 5.410 4.798 4.396 5.122 . 0 0 "[ . 1 . 2]" 2
1692 2 27 PHE QE 2 48 GLY H . . 5.200 4.666 4.398 5.009 . 0 0 "[ . 1 . 2]" 2
1693 2 48 GLY H 2 49 GLN H . . 5.050 4.452 4.418 4.478 . 0 0 "[ . 1 . 2]" 2
1694 2 51 GLU H 2 51 GLU HB2 . . 3.790 3.657 3.010 3.777 . 0 0 "[ . 1 . 2]" 2
1695 2 32 TYR HA 2 50 LEU H . . 5.500 4.995 4.656 5.503 0.003 19 0 "[ . 1 . 2]" 2
1696 2 32 TYR HA 2 51 GLU H . . 5.500 4.561 4.004 5.307 . 0 0 "[ . 1 . 2]" 2
1697 2 55 LEU HB2 2 56 GLU H . . 4.900 3.629 2.212 4.559 . 0 0 "[ . 1 . 2]" 2
1698 2 55 LEU HB3 2 56 GLU H . . 4.900 3.759 2.119 4.641 . 0 0 "[ . 1 . 2]" 2
1699 2 36 ASN H 2 36 ASN HD21 . . 5.500 5.309 5.270 5.355 . 0 0 "[ . 1 . 2]" 2
1700 2 22 ILE MG 2 26 VAL H . . 3.890 3.737 3.647 3.812 . 0 0 "[ . 1 . 2]" 2
1701 2 40 ASP H 2 43 THR HB . . 4.350 3.822 3.264 4.148 . 0 0 "[ . 1 . 2]" 2
1702 2 12 THR H 2 15 GLU HB2 . . 3.700 2.688 2.154 3.101 . 0 0 "[ . 1 . 2]" 2
1703 2 18 LYS QB 2 19 PHE H . . 3.770 2.689 2.518 2.796 . 0 0 "[ . 1 . 2]" 2
1704 2 22 ILE HB 2 23 LEU H . . 3.310 2.434 2.424 2.466 . 0 0 "[ . 1 . 2]" 2
1705 2 14 LYS H 2 14 LYS QD . . 4.220 3.102 1.941 4.183 . 0 0 "[ . 1 . 2]" 2
1706 2 10 ALA MB 2 12 THR H . . 3.740 3.051 2.500 3.726 . 0 0 "[ . 1 . 2]" 2
1707 2 55 LEU H 2 55 LEU HB3 . . 3.940 3.724 3.522 4.076 0.136 19 0 "[ . 1 . 2]" 2
1708 2 4 VAL H 2 4 VAL MG1 . . 4.280 3.877 3.827 3.913 . 0 0 "[ . 1 . 2]" 2
1709 2 55 LEU H 2 55 LEU MD1 . . 4.290 3.631 2.223 4.121 . 0 0 "[ . 1 . 2]" 2
1710 2 55 LEU H 2 55 LEU MD2 . . 4.290 2.889 1.877 4.416 0.126 19 0 "[ . 1 . 2]" 2
1711 2 6 ILE MG 2 46 VAL H . . 5.150 4.324 4.123 4.486 . 0 0 "[ . 1 . 2]" 2
1712 2 50 LEU H 2 50 LEU MD2 . . 4.790 4.223 3.981 4.429 . 0 0 "[ . 1 . 2]" 2
1713 2 14 LYS HA 2 16 ALA H . . 5.500 4.648 4.177 4.847 . 0 0 "[ . 1 . 2]" 2
1714 2 14 LYS HA 2 18 LYS H . . 5.500 4.237 3.943 4.407 . 0 0 "[ . 1 . 2]" 2
1715 2 18 LYS HA 2 20 ALA H . . 4.930 4.631 4.493 4.786 . 0 0 "[ . 1 . 2]" 2
1716 2 16 ALA H 2 17 GLU HA . . 5.290 5.268 5.206 5.314 0.024 10 0 "[ . 1 . 2]" 2
1717 2 20 ALA HA 2 23 LEU H . . 3.850 3.447 3.426 3.484 . 0 0 "[ . 1 . 2]" 2
1718 2 39 TRP HB3 2 39 TRP HE3 . . 4.140 4.030 2.512 4.140 . 0 0 "[ . 1 . 2]" 2
1719 2 19 PHE HB3 2 20 ALA H . . 3.930 3.392 3.259 3.511 . 0 0 "[ . 1 . 2]" 2
1720 2 25 LYS H 2 27 PHE H . . 4.760 4.122 4.107 4.134 . 0 0 "[ . 1 . 2]" 2
1721 2 27 PHE QD 2 32 TYR H . . 4.840 4.186 4.124 4.291 . 0 0 "[ . 1 . 2]" 2
1722 2 4 VAL HB 2 32 TYR QE . . 4.980 3.316 3.248 3.381 . 0 0 "[ . 1 . 2]" 2
1723 2 37 VAL MG2 2 39 TRP HD1 . . 4.260 3.802 3.474 4.272 0.012 10 0 "[ . 1 . 2]" 2
1724 2 27 PHE QD 2 35 ILE MD . . 3.840 2.802 2.765 2.830 . 0 0 "[ . 1 . 2]" 2
1725 2 32 TYR QE 2 50 LEU HB3 . . 4.140 4.036 3.805 4.174 0.034 11 0 "[ . 1 . 2]" 2
1726 2 8 ILE MG 2 19 PHE QD . . 3.770 3.477 2.830 3.837 0.067 11 0 "[ . 1 . 2]" 2
1727 2 8 ILE MD 2 19 PHE QD . . 4.120 3.298 2.703 3.709 . 0 0 "[ . 1 . 2]" 2
1728 2 27 PHE QD 2 46 VAL MG2 . . 3.750 3.002 2.928 3.102 . 0 0 "[ . 1 . 2]" 2
1729 2 27 PHE QE 2 46 VAL MG2 . . 3.430 2.998 2.754 3.123 . 0 0 "[ . 1 . 2]" 2
1730 2 22 ILE H 2 22 ILE MD . . 3.830 3.096 2.921 3.223 . 0 0 "[ . 1 . 2]" 2
1731 2 32 TYR QD 2 50 LEU MD2 . . 4.950 3.657 2.497 4.728 . 0 0 "[ . 1 . 2]" 2
1732 2 27 PHE HB3 2 32 TYR QD . . 5.500 4.319 4.201 4.399 . 0 0 "[ . 1 . 2]" 2
1733 2 2 GLU QG 2 32 TYR QE . . 4.500 3.771 2.552 4.514 0.014 19 0 "[ . 1 . 2]" 2
1734 2 57 HIS HA 2 57 HIS HD2 . . 4.160 3.545 2.688 4.184 0.024 6 0 "[ . 1 . 2]" 2
1735 2 22 ILE HA 2 25 LYS H . . 3.830 3.426 3.383 3.485 . 0 0 "[ . 1 . 2]" 2
1736 2 5 ARG HA 2 47 GLU HA . . 3.400 2.552 2.408 2.694 . 0 0 "[ . 1 . 2]" 2
1737 2 14 LYS HA 2 18 LYS HG2 . . 4.280 4.228 3.989 4.300 0.020 12 0 "[ . 1 . 2]" 2
1738 2 7 SER HB3 2 43 THR MG . . 3.810 3.561 3.257 3.847 0.037 17 0 "[ . 1 . 2]" 2
1739 2 7 SER HB2 2 43 THR MG . . 3.810 3.597 3.211 3.838 0.028 18 0 "[ . 1 . 2]" 2
1740 2 22 ILE HA 2 22 ILE HG12 . . 3.350 2.870 2.794 2.987 . 0 0 "[ . 1 . 2]" 2
1741 2 25 LYS HB3 2 26 VAL HA . . 4.550 4.468 3.960 4.503 . 0 0 "[ . 1 . 2]" 2
1742 2 21 ALA HA 2 24 ILE HB . . 3.640 3.230 3.121 3.372 . 0 0 "[ . 1 . 2]" 2
1743 2 20 ALA HA 2 23 LEU HG . . 4.860 4.029 3.851 4.181 . 0 0 "[ . 1 . 2]" 2
1744 2 20 ALA HA 2 46 VAL HB . . 5.150 4.497 4.371 4.557 . 0 0 "[ . 1 . 2]" 2
1745 2 22 ILE HA 2 22 ILE HG13 . . 3.520 2.657 2.585 2.712 . 0 0 "[ . 1 . 2]" 2
1746 2 56 GLU HA 2 56 GLU HG3 . . 4.200 3.134 2.551 4.178 . 0 0 "[ . 1 . 2]" 2
1747 2 22 ILE HA 2 25 LYS HB2 . . 4.190 3.129 2.966 3.156 . 0 0 "[ . 1 . 2]" 2
1748 2 23 LEU HA 2 25 LYS H . . 4.450 4.420 4.393 4.466 0.016 1 0 "[ . 1 . 2]" 2
1749 2 23 LEU HA 2 27 PHE QD . . 4.440 4.115 4.006 4.193 . 0 0 "[ . 1 . 2]" 2
1750 2 28 ALA HA 2 32 TYR H . . 3.690 3.395 3.359 3.461 . 0 0 "[ . 1 . 2]" 2
1751 2 9 THR H 2 9 THR HB . . 3.690 2.942 2.843 3.235 . 0 0 "[ . 1 . 2]" 2
1752 2 14 LYS QE 2 14 LYS HG2 . . 3.520 2.811 1.987 3.442 . 0 0 "[ . 1 . 2]" 2
1753 2 5 ARG QB 2 5 ARG QD . . 2.650 2.121 1.954 2.413 . 0 0 "[ . 1 . 2]" 2
1754 2 16 ALA HA 2 19 PHE HB2 . . 3.640 2.877 2.649 3.192 . 0 0 "[ . 1 . 2]" 2
1755 2 2 GLU HA 2 2 GLU QG . . 3.680 2.811 2.257 3.366 . 0 0 "[ . 1 . 2]" 2
1756 2 56 GLU HG3 2 57 HIS HA . . 4.540 3.717 2.976 4.546 0.006 19 0 "[ . 1 . 2]" 2
1757 2 56 GLU HG2 2 57 HIS HA . . 4.540 3.735 3.248 4.647 0.107 9 0 "[ . 1 . 2]" 2
1758 2 10 ALA MB 2 11 ARG HA . . 4.290 4.242 4.167 4.327 0.037 6 0 "[ . 1 . 2]" 2
1759 2 14 LYS HA 2 14 LYS QD . . 3.640 2.975 2.505 3.498 . 0 0 "[ . 1 . 2]" 2
1760 2 25 LYS HA 2 25 LYS QD . . 4.120 3.481 3.432 4.076 . 0 0 "[ . 1 . 2]" 2
1761 2 3 ARG QD 2 4 VAL HA . . 3.400 3.250 2.975 3.409 0.009 5 0 "[ . 1 . 2]" 2
1762 2 27 PHE QD 2 32 TYR HB3 . . 3.880 2.741 2.670 2.895 . 0 0 "[ . 1 . 2]" 2
1763 2 30 LEU HB3 2 32 TYR QD . . 3.340 2.209 1.999 2.372 . 0 0 "[ . 1 . 2]" 2
1764 2 24 ILE HB 2 25 LYS H . . 3.960 2.565 2.505 2.590 . 0 0 "[ . 1 . 2]" 2
1765 2 25 LYS HB3 2 26 VAL H . . 4.340 3.668 3.096 3.705 . 0 0 "[ . 1 . 2]" 2
1766 2 48 GLY H 2 49 GLN HB3 . . 5.500 5.419 5.218 5.523 0.023 13 0 "[ . 1 . 2]" 2
1767 2 27 PHE HB3 2 28 ALA H . . 3.940 3.272 3.232 3.318 . 0 0 "[ . 1 . 2]" 2
1768 2 8 ILE HB 2 9 THR H . . 4.600 3.416 3.077 4.048 . 0 0 "[ . 1 . 2]" 2
1769 2 49 GLN HB2 2 50 LEU H . . 3.530 2.872 2.604 3.209 . 0 0 "[ . 1 . 2]" 2
1770 2 2 GLU QG 2 4 VAL H . . 5.500 5.280 4.929 5.506 0.006 9 0 "[ . 1 . 2]" 2
1771 2 49 GLN QG 2 51 GLU H . . 5.500 4.910 4.414 5.579 0.079 3 0 "[ . 1 . 2]" 2
1772 2 47 GLU H 2 47 GLU HB3 . . 4.070 3.545 3.153 3.776 . 0 0 "[ . 1 . 2]" 2
1773 2 3 ARG HB3 2 4 VAL H . . 4.340 4.007 3.536 4.263 . 0 0 "[ . 1 . 2]" 2
1774 2 3 ARG HG3 2 4 VAL H . . 4.400 3.981 3.763 4.373 . 0 0 "[ . 1 . 2]" 2
1775 2 51 GLU QG 2 52 GLY H . . 3.890 2.909 1.953 3.887 . 0 0 "[ . 1 . 2]" 2
1776 2 28 ALA MB 2 29 GLU H . . 3.420 2.450 2.443 2.459 . 0 0 "[ . 1 . 2]" 2
1777 2 28 ALA MB 2 31 GLY H . . 4.650 4.492 4.439 4.556 . 0 0 "[ . 1 . 2]" 2
1778 2 6 ILE MD 2 46 VAL MG1 . . 5.500 3.014 2.914 3.041 . 0 0 "[ . 1 . 2]" 2
1779 2 6 ILE MD 2 6 ILE MG . . 2.410 2.002 1.918 2.066 . 0 0 "[ . 1 . 2]" 2
1780 2 6 ILE MD 2 23 LEU MD1 . . 3.080 1.784 1.728 1.832 . 0 0 "[ . 1 . 2]" 2
1781 2 6 ILE MD 2 23 LEU MD2 . . 3.080 3.102 3.087 3.116 0.036 14 0 "[ . 1 . 2]" 2
1782 2 30 LEU HB2 2 30 LEU MD1 . . 3.640 2.195 2.000 2.373 . 0 0 "[ . 1 . 2]" 2
1783 2 25 LYS HA 2 26 VAL MG2 . . 5.100 4.822 4.810 4.858 . 0 0 "[ . 1 . 2]" 2
1784 2 13 LYS QG 2 14 LYS HA . . 3.680 3.456 3.379 3.532 . 0 0 "[ . 1 . 2]" 2
1785 2 26 VAL MG1 2 27 PHE HA . . 3.910 3.824 3.709 3.895 . 0 0 "[ . 1 . 2]" 2
1786 2 5 ARG HA 2 45 THR MG . . 3.990 3.886 3.592 4.031 0.041 16 0 "[ . 1 . 2]" 2
1787 2 37 VAL HA 2 46 VAL MG2 . . 3.570 3.423 3.309 3.503 . 0 0 "[ . 1 . 2]" 2
1788 2 33 ASN HA 2 35 ILE MD . . 3.720 3.777 3.748 3.808 0.088 10 0 "[ . 1 . 2]" 2
1789 2 30 LEU MD2 2 32 TYR QE . . 4.510 3.152 2.633 3.620 . 0 0 "[ . 1 . 2]" 2
1790 2 32 TYR QE 2 35 ILE MD . . 5.500 5.482 5.392 5.519 0.019 5 0 "[ . 1 . 2]" 2
1791 2 35 ILE MD 2 49 GLN HE21 . . 5.500 4.236 3.781 5.046 . 0 0 "[ . 1 . 2]" 2
1792 2 4 VAL MG2 2 32 TYR QE . . 4.030 1.886 1.871 1.903 . 0 0 "[ . 1 . 2]" 2
1793 2 37 VAL MG2 2 46 VAL H . . 4.520 4.290 4.069 4.520 0.000 18 0 "[ . 1 . 2]" 2
1794 2 6 ILE H 2 6 ILE HG13 . . 3.950 2.792 2.613 2.941 . 0 0 "[ . 1 . 2]" 2
1795 2 6 ILE H 2 46 VAL MG2 . . 5.500 4.340 4.226 4.443 . 0 0 "[ . 1 . 2]" 2
1796 2 20 ALA H 2 24 ILE MD . . 5.500 4.942 4.855 5.012 . 0 0 "[ . 1 . 2]" 2
1797 2 23 LEU HB3 2 24 ILE H . . 3.870 3.051 3.010 3.113 . 0 0 "[ . 1 . 2]" 2
1798 2 50 LEU H 2 50 LEU HB3 . . 3.480 2.864 2.573 3.063 . 0 0 "[ . 1 . 2]" 2
1799 2 46 VAL MG2 2 47 GLU H . . 3.370 2.368 2.321 2.404 . 0 0 "[ . 1 . 2]" 2
1800 2 23 LEU H 2 24 ILE HG13 . . 5.260 4.534 4.497 4.592 . 0 0 "[ . 1 . 2]" 2
1801 2 32 TYR H 2 35 ILE MD . . 5.140 4.622 4.559 4.685 . 0 0 "[ . 1 . 2]" 2
1802 2 26 VAL H 2 26 VAL MG1 . . 4.150 3.758 3.753 3.760 . 0 0 "[ . 1 . 2]" 2
1803 2 5 ARG H 2 5 ARG QB . . 3.430 2.536 2.525 2.554 . 0 0 "[ . 1 . 2]" 2
1804 2 22 ILE H 2 22 ILE MG . . 3.810 3.765 3.763 3.768 . 0 0 "[ . 1 . 2]" 2
1805 2 32 TYR QD 2 35 ILE MD . . 3.970 3.749 3.649 3.817 . 0 0 "[ . 1 . 2]" 2
1806 2 4 VAL HB 2 27 PHE QE . . 3.680 2.401 2.265 2.772 . 0 0 "[ . 1 . 2]" 2
1807 2 27 PHE HA 2 32 TYR QD . . 3.590 3.548 3.433 3.602 0.012 14 0 "[ . 1 . 2]" 2
1808 2 19 PHE HA 2 19 PHE QD . . 3.820 2.693 2.282 3.045 . 0 0 "[ . 1 . 2]" 2
1809 2 50 LEU HA 2 52 GLY H . . 4.100 3.951 3.584 4.113 0.013 10 0 "[ . 1 . 2]" 2
1810 2 43 THR H 2 43 THR HB . . 3.530 3.010 2.829 3.208 . 0 0 "[ . 1 . 2]" 2
1811 2 15 GLU HA 2 18 LYS H . . 4.030 3.608 3.449 3.780 . 0 0 "[ . 1 . 2]" 2
1812 2 19 PHE H 2 19 PHE QD . . 3.560 2.829 2.505 3.257 . 0 0 "[ . 1 . 2]" 2
1813 2 21 ALA H 2 22 ILE H . . 3.780 2.852 2.797 2.882 . 0 0 "[ . 1 . 2]" 2
1814 2 17 GLU H 2 17 GLU HA . . 2.880 2.806 2.788 2.843 . 0 0 "[ . 1 . 2]" 2
1815 2 26 VAL HA 2 29 GLU H . . 3.930 3.711 3.668 3.777 . 0 0 "[ . 1 . 2]" 2
1816 2 35 ILE MG 2 36 ASN H . . 3.320 2.537 2.505 2.621 . 0 0 "[ . 1 . 2]" 2
1817 2 28 ALA MB 2 33 ASN QB . . 4.170 3.965 3.181 4.104 . 0 0 "[ . 1 . 2]" 2
1818 2 50 LEU HA 2 50 LEU MD2 . . 4.160 2.700 2.027 3.884 . 0 0 "[ . 1 . 2]" 2
1819 2 22 ILE HB 2 22 ILE MD . . 3.040 2.092 2.035 2.138 . 0 0 "[ . 1 . 2]" 2
1820 2 39 TRP HB2 2 39 TRP HE3 . . 4.140 2.639 2.533 4.070 . 0 0 "[ . 1 . 2]" 2
1821 2 27 PHE QD 2 32 TYR HB2 . . 4.410 2.102 2.020 2.209 . 0 0 "[ . 1 . 2]" 2
1822 2 25 LYS H 2 25 LYS QE . . 4.200 3.548 2.726 3.636 . 0 0 "[ . 1 . 2]" 2
1823 2 49 GLN HB2 2 49 GLN HE21 . . 4.780 4.332 4.209 4.613 . 0 0 "[ . 1 . 2]" 2
1824 2 2 GLU HB3 2 3 ARG H . . 4.590 4.380 3.659 4.648 0.058 13 0 "[ . 1 . 2]" 2
1825 2 30 LEU HB2 2 32 TYR QD . . 3.840 2.303 2.173 2.509 . 0 0 "[ . 1 . 2]" 2
1826 2 27 PHE QD 2 30 LEU HB2 . . 4.510 3.616 3.405 3.771 . 0 0 "[ . 1 . 2]" 2
1827 2 29 GLU H 2 30 LEU HB2 . . 4.800 4.551 4.435 4.640 . 0 0 "[ . 1 . 2]" 2
1828 2 30 LEU HB2 2 32 TYR QE . . 3.960 3.524 3.331 3.825 . 0 0 "[ . 1 . 2]" 2
1829 2 30 LEU HG 2 32 TYR QD . . 4.720 4.648 4.585 4.740 0.020 10 0 "[ . 1 . 2]" 2
1830 2 30 LEU HG 2 32 TYR QE . . 5.490 4.969 4.866 5.181 . 0 0 "[ . 1 . 2]" 2
1831 2 32 TYR QD 2 50 LEU HB2 . . 3.800 3.377 3.083 3.545 . 0 0 "[ . 1 . 2]" 2
1832 2 23 LEU HB3 2 27 PHE QD . . 4.290 2.926 2.801 3.009 . 0 0 "[ . 1 . 2]" 2
1833 2 32 TYR QE 2 50 LEU HB2 . . 4.640 2.685 2.474 3.091 . 0 0 "[ . 1 . 2]" 2
1834 2 32 TYR QE 2 50 LEU HG . . 5.300 3.682 2.951 5.119 . 0 0 "[ . 1 . 2]" 2
1835 2 5 ARG H 2 46 VAL MG1 . . 5.320 5.351 5.327 5.373 0.053 18 0 "[ . 1 . 2]" 2
1836 2 32 TYR QE 2 50 LEU MD1 . . 4.020 2.979 2.270 4.133 0.113 14 0 "[ . 1 . 2]" 2
1837 2 30 LEU MD1 2 32 TYR QD . . 4.560 3.550 3.389 3.730 . 0 0 "[ . 1 . 2]" 2
1838 2 6 ILE MD 2 27 PHE QD . . 4.630 4.134 3.954 4.274 . 0 0 "[ . 1 . 2]" 2
1839 2 27 PHE QE 2 47 GLU HA . . 5.500 5.419 5.323 5.508 0.008 18 0 "[ . 1 . 2]" 2
1840 2 49 GLN HA 2 49 GLN HE21 . . 5.500 4.732 4.291 5.485 . 0 0 "[ . 1 . 2]" 2
1841 2 39 TRP HA 2 39 TRP HE3 . . 4.590 4.302 3.320 4.477 . 0 0 "[ . 1 . 2]" 2
1842 2 39 TRP HA 2 39 TRP HD1 . . 4.570 4.348 4.165 4.507 . 0 0 "[ . 1 . 2]" 2
1843 2 4 VAL HA 2 32 TYR QE . . 5.500 5.015 4.869 5.194 . 0 0 "[ . 1 . 2]" 2
1844 2 4 VAL HA 2 27 PHE QE . . 5.500 4.981 4.814 5.304 . 0 0 "[ . 1 . 2]" 2
1845 2 39 TRP HD1 2 44 VAL HA . . 5.500 5.440 5.268 5.554 0.054 10 0 "[ . 1 . 2]" 2
1846 2 27 PHE QD 2 32 TYR HA . . 4.800 4.688 4.667 4.795 . 0 0 "[ . 1 . 2]" 2
1847 2 32 TYR HA 2 32 TYR QE . . 5.250 4.683 4.664 4.705 . 0 0 "[ . 1 . 2]" 2
1848 2 30 LEU HA 2 32 TYR QD . . 4.010 3.960 3.927 4.040 0.030 5 0 "[ . 1 . 2]" 2
1849 2 30 LEU HA 2 32 TYR QE . . 5.080 4.261 4.180 4.420 . 0 0 "[ . 1 . 2]" 2
1850 2 34 ASP HA 2 49 GLN HE21 . . 5.500 5.226 4.707 5.459 . 0 0 "[ . 1 . 2]" 2
1851 2 32 TYR QE 2 50 LEU HA . . 4.960 4.619 4.291 4.970 0.010 17 0 "[ . 1 . 2]" 2
1852 2 43 THR HB 2 45 THR H . . 5.500 5.483 5.323 5.541 0.041 7 0 "[ . 1 . 2]" 2
1853 2 27 PHE HA 2 32 TYR QE . . 5.210 5.045 4.948 5.164 . 0 0 "[ . 1 . 2]" 2
1854 2 19 PHE HA 2 22 ILE H . . 4.140 3.561 3.495 3.623 . 0 0 "[ . 1 . 2]" 2
1855 2 24 ILE HA 2 27 PHE QD . . 4.780 3.123 2.919 3.295 . 0 0 "[ . 1 . 2]" 2
1856 2 39 TRP HE3 2 42 ASP HA . . 5.140 4.879 4.109 5.142 0.002 9 0 "[ . 1 . 2]" 2
1857 2 3 ARG HA 2 32 TYR QD . . 5.500 4.858 4.614 5.136 . 0 0 "[ . 1 . 2]" 2
1858 2 3 ARG HA 2 32 TYR QE . . 5.290 4.444 4.114 4.810 . 0 0 "[ . 1 . 2]" 2
1859 2 32 TYR QE 2 49 GLN HA . . 5.040 4.347 3.942 5.046 0.006 3 0 "[ . 1 . 2]" 2
1860 2 3 ARG HA 2 49 GLN HA . . 3.470 2.760 2.583 2.975 . 0 0 "[ . 1 . 2]" 2
1861 2 7 SER HA 2 45 THR HA . . 2.910 1.989 1.963 2.025 . 0 0 "[ . 1 . 2]" 2
1862 2 46 VAL HA 2 47 GLU HA . . 4.480 4.404 4.398 4.411 . 0 0 "[ . 1 . 2]" 2
1863 2 44 VAL HA 2 45 THR HA . . 4.610 4.405 4.396 4.415 . 0 0 "[ . 1 . 2]" 2
1864 2 39 TRP HA 2 44 VAL HA . . 3.210 2.371 2.090 3.202 . 0 0 "[ . 1 . 2]" 2
1865 2 38 THR HB 2 39 TRP HA . . 4.960 4.685 4.491 5.005 0.045 10 0 "[ . 1 . 2]" 2
1866 2 7 SER HA 2 45 THR HB . . 4.720 4.475 4.311 4.701 . 0 0 "[ . 1 . 2]" 2
1867 2 2 GLU QG 2 3 ARG HA . . 4.880 4.167 3.828 4.433 . 0 0 "[ . 1 . 2]" 2
1868 2 3 ARG HA 2 49 GLN HB2 . . 5.370 4.304 3.878 4.941 . 0 0 "[ . 1 . 2]" 2
1869 2 3 ARG HA 2 49 GLN HB3 . . 5.500 4.311 3.767 4.950 . 0 0 "[ . 1 . 2]" 2
1870 2 3 ARG HB2 2 49 GLN HA . . 5.500 4.389 4.130 5.066 . 0 0 "[ . 1 . 2]" 2
1871 2 7 SER HA 2 46 VAL HB . . 5.500 5.529 5.489 5.547 0.047 12 0 "[ . 1 . 2]" 2
1872 2 3 ARG HB3 2 49 GLN HA . . 5.500 5.511 5.503 5.525 0.025 14 0 "[ . 1 . 2]" 2
1873 2 5 ARG QB 2 47 GLU HA . . 4.190 3.339 3.086 3.688 . 0 0 "[ . 1 . 2]" 2
1874 2 3 ARG HG2 2 49 GLN HA . . 5.500 3.860 3.323 4.304 . 0 0 "[ . 1 . 2]" 2
1875 2 35 ILE HG13 2 47 GLU HA . . 4.910 4.480 4.301 4.589 . 0 0 "[ . 1 . 2]" 2
1876 2 6 ILE HB 2 45 THR HA . . 5.500 5.182 5.095 5.257 . 0 0 "[ . 1 . 2]" 2
1877 2 28 ALA MB 2 33 ASN HA . . 3.940 3.570 3.026 3.725 . 0 0 "[ . 1 . 2]" 2
1878 2 6 ILE HA 2 6 ILE HG13 . . 3.660 3.055 2.857 3.167 . 0 0 "[ . 1 . 2]" 2
1879 2 35 ILE HG13 2 36 ASN HA . . 5.470 5.247 5.214 5.308 . 0 0 "[ . 1 . 2]" 2
1880 2 9 THR MG 2 43 THR HA . . 4.350 3.988 3.379 4.395 0.045 7 0 "[ . 1 . 2]" 2
1881 2 43 THR HA 2 43 THR MG . . 3.510 2.129 1.979 2.322 . 0 0 "[ . 1 . 2]" 2
1882 2 45 THR HA 2 45 THR MG . . 3.630 2.289 2.160 2.399 . 0 0 "[ . 1 . 2]" 2
1883 2 37 VAL MG2 2 39 TRP HA . . 4.640 4.397 4.084 4.540 . 0 0 "[ . 1 . 2]" 2
1884 2 37 VAL HA 2 37 VAL MG2 . . 3.280 2.250 2.211 2.295 . 0 0 "[ . 1 . 2]" 2
1885 2 46 VAL MG1 2 47 GLU HA . . 4.120 3.753 3.696 3.808 . 0 0 "[ . 1 . 2]" 2
1886 2 37 VAL HA 2 37 VAL MG1 . . 3.380 3.199 3.190 3.203 . 0 0 "[ . 1 . 2]" 2
1887 2 6 ILE MG 2 7 SER HA . . 4.620 3.836 3.718 3.924 . 0 0 "[ . 1 . 2]" 2
1888 2 6 ILE MG 2 45 THR HA . . 5.500 4.883 4.694 5.032 . 0 0 "[ . 1 . 2]" 2
1889 2 8 ILE MD 2 45 THR HA . . 5.500 4.984 4.704 5.204 . 0 0 "[ . 1 . 2]" 2
1890 2 6 ILE HA 2 6 ILE MG . . 3.230 2.296 2.273 2.339 . 0 0 "[ . 1 . 2]" 2
1891 2 35 ILE MG 2 36 ASN HA . . 3.800 3.147 3.099 3.207 . 0 0 "[ . 1 . 2]" 2
1892 2 46 VAL MG2 2 47 GLU HA . . 5.010 3.789 3.742 3.823 . 0 0 "[ . 1 . 2]" 2
1893 2 23 LEU HA 2 26 VAL MG2 . . 3.250 2.391 2.353 2.405 . 0 0 "[ . 1 . 2]" 2
1894 2 4 VAL HA 2 4 VAL MG1 . . 3.690 2.372 2.301 2.405 . 0 0 "[ . 1 . 2]" 2
1895 2 21 ALA HA 2 24 ILE MD . . 3.070 1.921 1.881 1.961 . 0 0 "[ . 1 . 2]" 2
1896 2 55 LEU HA 2 55 LEU MD2 . . 4.180 2.764 2.230 3.825 . 0 0 "[ . 1 . 2]" 2
1897 2 35 ILE HA 2 35 ILE MD . . 3.160 2.493 2.425 2.568 . 0 0 "[ . 1 . 2]" 2
1898 2 8 ILE HA 2 8 ILE MG . . 3.000 2.310 2.255 2.345 . 0 0 "[ . 1 . 2]" 2
1899 2 8 ILE MD 2 16 ALA HA . . 2.880 2.437 1.937 2.901 0.021 7 0 "[ . 1 . 2]" 2
1900 2 35 ILE HA 2 35 ILE MG . . 3.190 2.970 2.957 2.983 . 0 0 "[ . 1 . 2]" 2
1901 2 30 LEU HA 2 30 LEU MD1 . . 4.630 3.845 3.773 3.885 . 0 0 "[ . 1 . 2]" 2
1902 2 22 ILE H 2 23 LEU HA . . 5.300 5.266 5.249 5.285 . 0 0 "[ . 1 . 2]" 2
1903 2 38 THR HA 2 39 TRP HD1 . . 4.590 3.743 3.473 4.026 . 0 0 "[ . 1 . 2]" 2
1904 2 32 TYR HA 2 32 TYR QD . . 4.060 3.146 3.129 3.154 . 0 0 "[ . 1 . 2]" 2
1905 2 32 TYR QD 2 50 LEU HA . . 4.600 4.095 3.762 4.479 . 0 0 "[ . 1 . 2]" 2
1906 2 25 LYS HB3 2 29 GLU H . . 5.290 5.001 4.786 5.090 . 0 0 "[ . 1 . 2]" 2
1907 2 23 LEU H 2 25 LYS HB2 . . 5.500 5.505 5.373 5.521 0.021 7 0 "[ . 1 . 2]" 2
1908 2 54 SER H 2 55 LEU MD1 . . 5.240 4.498 2.257 5.264 0.024 16 0 "[ . 1 . 2]" 2
1909 2 54 SER H 2 55 LEU MD2 . . 5.240 4.004 2.628 5.206 . 0 0 "[ . 1 . 2]" 2
1910 2 4 VAL MG2 2 32 TYR QD . . 4.380 3.223 3.200 3.256 . 0 0 "[ . 1 . 2]" 2
1911 2 37 VAL MG1 2 39 TRP HD1 . . 4.380 3.517 3.303 4.386 0.006 10 0 "[ . 1 . 2]" 2
1912 2 4 VAL MG1 2 32 TYR QD . . 4.380 4.414 4.398 4.445 0.065 18 0 "[ . 1 . 2]" 2
1913 2 23 LEU HG 2 27 PHE QE . . 3.660 3.599 3.382 3.671 0.011 2 0 "[ . 1 . 2]" 2
1914 2 6 ILE HG13 2 27 PHE QE . . 4.530 3.481 3.174 3.800 . 0 0 "[ . 1 . 2]" 2
1915 2 23 LEU HB3 2 27 PHE QE . . 4.740 3.315 2.905 3.562 . 0 0 "[ . 1 . 2]" 2
1916 2 4 VAL MG1 2 27 PHE QE . . 3.830 2.048 1.947 2.283 . 0 0 "[ . 1 . 2]" 2
1917 2 23 LEU MD1 2 27 PHE QE . . 3.410 1.958 1.933 1.992 . 0 0 "[ . 1 . 2]" 2
1918 2 27 PHE QE 2 46 VAL MG1 . . 2.640 1.984 1.895 2.047 . 0 0 "[ . 1 . 2]" 2
1919 2 4 VAL MG1 2 32 TYR QE . . 4.030 4.050 3.950 4.101 0.071 14 0 "[ . 1 . 2]" 2
1920 2 32 TYR QE 2 50 LEU MD2 . . 4.020 3.257 2.610 4.015 . 0 0 "[ . 1 . 2]" 2
1921 2 30 LEU MD1 2 32 TYR QE . . 4.510 3.475 3.136 3.914 . 0 0 "[ . 1 . 2]" 2
1922 2 6 ILE MD 2 27 PHE QE . . 3.480 2.518 2.273 2.743 . 0 0 "[ . 1 . 2]" 2
1923 2 6 ILE HA 2 45 THR MG . . 4.740 3.978 3.654 4.554 . 0 0 "[ . 1 . 2]" 2
1924 2 3 ARG HG3 2 49 GLN HA . . 5.500 4.931 4.623 5.279 . 0 0 "[ . 1 . 2]" 2
1925 2 27 PHE HA 2 32 TYR HA . . 5.500 5.641 5.616 5.658 0.158 19 0 "[ . 1 . 2]" 2
1926 2 5 ARG HA 2 5 ARG QD . . 4.100 4.016 3.776 4.118 0.018 13 0 "[ . 1 . 2]" 2
1927 2 5 ARG HA 2 47 GLU HG2 . . 4.540 3.534 3.118 3.901 . 0 0 "[ . 1 . 2]" 2
1928 2 5 ARG HA 2 47 GLU HG3 . . 4.540 4.059 3.637 4.518 . 0 0 "[ . 1 . 2]" 2
1929 2 37 VAL HA 2 46 VAL HB . . 4.480 4.336 4.136 4.488 0.008 16 0 "[ . 1 . 2]" 2
1930 2 28 ALA HA 2 35 ILE MD . . 4.640 4.484 4.415 4.546 . 0 0 "[ . 1 . 2]" 2
1931 2 55 LEU HA 2 55 LEU MD1 . . 4.180 2.496 1.971 3.984 . 0 0 "[ . 1 . 2]" 2
1932 2 37 VAL MG2 2 44 VAL HA . . 3.780 3.775 3.544 3.804 0.024 5 0 "[ . 1 . 2]" 2
1933 2 11 ARG HA 2 11 ARG QG . . 3.500 2.913 2.282 3.344 . 0 0 "[ . 1 . 2]" 2
1934 2 29 GLU HA 2 29 GLU HB2 . . 2.980 2.333 2.300 2.412 . 0 0 "[ . 1 . 2]" 2
1935 2 17 GLU HA 2 17 GLU HG3 . . 3.630 3.345 2.704 3.581 . 0 0 "[ . 1 . 2]" 2
1936 2 29 GLU HA 2 29 GLU HB3 . . 3.010 2.583 2.482 2.631 . 0 0 "[ . 1 . 2]" 2
1937 2 27 PHE HA 2 30 LEU HB2 . . 3.270 2.442 2.416 2.465 . 0 0 "[ . 1 . 2]" 2
1938 2 18 LYS HA 2 18 LYS QD . . 2.790 2.608 2.421 2.792 0.002 19 0 "[ . 1 . 2]" 2
1939 2 18 LYS HA 2 18 LYS HG2 . . 3.070 2.625 2.512 2.769 . 0 0 "[ . 1 . 2]" 2
1940 2 23 LEU HA 2 26 VAL MG1 . . 4.280 4.214 4.146 4.242 . 0 0 "[ . 1 . 2]" 2
1941 2 23 LEU HA 2 23 LEU MD2 . . 4.120 2.143 2.044 2.190 . 0 0 "[ . 1 . 2]" 2
1942 2 16 ALA HA 2 44 VAL MG2 . . 5.500 4.205 3.081 5.503 0.003 3 0 "[ . 1 . 2]" 2
1943 2 26 VAL HA 2 26 VAL MG1 . . 3.170 2.217 2.176 2.319 . 0 0 "[ . 1 . 2]" 2
1944 2 22 ILE HA 2 22 ILE MG . . 2.940 2.324 2.289 2.350 . 0 0 "[ . 1 . 2]" 2
1945 2 4 VAL HA 2 4 VAL MG2 . . 3.690 2.422 2.380 2.450 . 0 0 "[ . 1 . 2]" 2
1946 2 32 TYR HA 2 50 LEU MD1 . . 5.290 4.119 2.774 5.132 . 0 0 "[ . 1 . 2]" 2
1947 2 26 VAL HA 2 29 GLU HG3 . . 4.150 3.027 2.872 3.291 . 0 0 "[ . 1 . 2]" 2
1948 2 24 ILE HA 2 24 ILE HG12 . . 3.020 2.872 2.848 2.900 . 0 0 "[ . 1 . 2]" 2
1949 2 27 PHE HA 2 32 TYR HB3 . . 4.640 4.243 4.207 4.311 . 0 0 "[ . 1 . 2]" 2
1950 2 51 GLU HA 2 51 GLU QG . . 3.400 3.302 2.590 3.356 . 0 0 "[ . 1 . 2]" 2
1951 2 56 GLU HB2 2 57 HIS HA . . 5.500 5.111 4.023 5.664 0.164 19 0 "[ . 1 . 2]" 2
1952 2 56 GLU HB3 2 57 HIS HA . . 5.500 5.061 4.100 5.596 0.096 5 0 "[ . 1 . 2]" 2
1953 2 25 LYS HA 2 25 LYS HB3 . . 2.910 2.457 2.440 2.697 . 0 0 "[ . 1 . 2]" 2
1954 2 25 LYS HA 2 25 LYS HG2 . . 3.260 2.737 2.719 2.817 . 0 0 "[ . 1 . 2]" 2
1955 2 25 LYS HA 2 28 ALA MB . . 3.440 2.707 2.573 2.751 . 0 0 "[ . 1 . 2]" 2
1956 2 17 GLU HA 2 20 ALA MB . . 2.640 2.479 2.219 2.645 0.005 20 0 "[ . 1 . 2]" 2
1957 2 35 ILE MD 2 48 GLY HA2 . . 4.300 2.436 2.244 2.646 . 0 0 "[ . 1 . 2]" 2
1958 2 27 PHE HB2 2 35 ILE MD . . 2.810 2.686 2.612 2.731 . 0 0 "[ . 1 . 2]" 2
1959 2 24 ILE HA 2 24 ILE MG . . 3.250 2.343 2.310 2.388 . 0 0 "[ . 1 . 2]" 2
1960 2 24 ILE HA 2 35 ILE MG . . 4.160 3.476 3.270 3.617 . 0 0 "[ . 1 . 2]" 2
1961 2 3 ARG HB2 2 3 ARG QD . . 3.570 3.328 3.155 3.488 . 0 0 "[ . 1 . 2]" 2
1962 2 3 ARG HB3 2 3 ARG QD . . 3.570 2.201 1.983 2.555 . 0 0 "[ . 1 . 2]" 2
1963 2 32 TYR HB3 2 35 ILE MD . . 3.810 2.509 2.429 2.538 . 0 0 "[ . 1 . 2]" 2
1964 2 30 LEU HB3 2 30 LEU MD1 . . 3.570 2.489 2.265 2.686 . 0 0 "[ . 1 . 2]" 2
1965 2 6 ILE MD 2 23 LEU HG . . 4.320 3.090 2.987 3.183 . 0 0 "[ . 1 . 2]" 2
1966 2 35 ILE HB 2 35 ILE MD . . 2.660 2.218 2.174 2.252 . 0 0 "[ . 1 . 2]" 2
1967 2 38 THR HA 2 38 THR MG . . 3.140 2.285 2.155 2.384 . 0 0 "[ . 1 . 2]" 2
1968 2 35 ILE HA 2 35 ILE HG13 . . 3.690 2.139 2.110 2.168 . 0 0 "[ . 1 . 2]" 2
1969 2 2 GLU QB 2 3 ARG HA . . 5.310 4.592 4.232 4.735 . 0 0 "[ . 1 . 2]" 2
1970 2 2 GLU QB 2 32 TYR QE . . 5.340 4.498 3.907 5.035 . 0 0 "[ . 1 . 2]" 2
1971 2 2 GLU QB 2 50 LEU HB2 . . 4.040 3.902 3.144 4.109 0.069 14 0 "[ . 1 . 2]" 2
1972 2 2 GLU QB 2 50 LEU HB3 . . 4.400 3.171 2.228 4.097 . 0 0 "[ . 1 . 2]" 2
1973 2 2 GLU QB 2 50 LEU QD . . 4.830 3.641 2.774 4.278 . 0 0 "[ . 1 . 2]" 2
1974 2 2 GLU QG 2 4 VAL QG . . 4.810 3.616 2.810 4.798 . 0 0 "[ . 1 . 2]" 2
1975 2 2 GLU QG 2 50 LEU QD . . 4.540 3.495 2.387 4.492 . 0 0 "[ . 1 . 2]" 2
1976 2 3 ARG H 2 3 ARG QB . . 3.120 2.349 2.273 2.569 . 0 0 "[ . 1 . 2]" 2
1977 2 3 ARG H 2 3 ARG QG . . 4.250 4.112 4.046 4.189 . 0 0 "[ . 1 . 2]" 2
1978 2 3 ARG HA 2 4 VAL QG . . 4.540 3.385 3.296 3.478 . 0 0 "[ . 1 . 2]" 2
1979 2 3 ARG QB 2 3 ARG QD . . 2.820 2.170 1.964 2.495 . 0 0 "[ . 1 . 2]" 2
1980 2 3 ARG QB 2 4 VAL H . . 3.790 3.567 3.363 3.732 . 0 0 "[ . 1 . 2]" 2
1981 2 3 ARG QG 2 4 VAL H . . 3.750 2.303 2.014 3.223 . 0 0 "[ . 1 . 2]" 2
1982 2 3 ARG QG 2 48 GLY H . . 5.100 3.796 3.382 4.990 . 0 0 "[ . 1 . 2]" 2
1983 2 3 ARG QG 2 49 GLN HA . . 4.730 3.720 3.282 4.103 . 0 0 "[ . 1 . 2]" 2
1984 2 4 VAL H 2 4 VAL QG . . 3.400 2.667 2.457 2.782 . 0 0 "[ . 1 . 2]" 2
1985 2 4 VAL QG 2 5 ARG H . . 3.760 2.517 2.340 2.727 . 0 0 "[ . 1 . 2]" 2
1986 2 4 VAL QG 2 6 ILE H . . 5.000 4.030 3.816 4.207 . 0 0 "[ . 1 . 2]" 2
1987 2 4 VAL QG 2 6 ILE HB . . 5.110 4.542 4.305 4.675 . 0 0 "[ . 1 . 2]" 2
1988 2 4 VAL QG 2 6 ILE HG13 . . 4.530 2.562 2.357 2.711 . 0 0 "[ . 1 . 2]" 2
1989 2 4 VAL QG 2 27 PHE QD . . 4.290 3.770 3.665 3.973 . 0 0 "[ . 1 . 2]" 2
1990 2 4 VAL QG 2 27 PHE QE . . 2.650 2.004 1.917 2.210 . 0 0 "[ . 1 . 2]" 2
1991 2 4 VAL QG 2 32 TYR QD . . 3.120 3.148 3.129 3.176 0.056 10 0 "[ . 1 . 2]" 2
1992 2 4 VAL QG 2 32 TYR QE . . 3.190 1.882 1.868 1.899 . 0 0 "[ . 1 . 2]" 2
1993 2 4 VAL QG 2 48 GLY H . . 4.890 4.025 3.800 4.253 . 0 0 "[ . 1 . 2]" 2
1994 2 5 ARG H 2 5 ARG QG . . 5.050 4.055 3.989 4.137 . 0 0 "[ . 1 . 2]" 2
1995 2 5 ARG HA 2 5 ARG QG . . 3.090 2.525 2.495 2.545 . 0 0 "[ . 1 . 2]" 2
1996 2 5 ARG HA 2 47 GLU QG . . 3.900 3.306 3.045 3.681 . 0 0 "[ . 1 . 2]" 2
1997 2 5 ARG QG 2 6 ILE H . . 3.460 2.778 2.495 3.000 . 0 0 "[ . 1 . 2]" 2
1998 2 5 ARG QG 2 7 SER H . . 5.340 4.197 4.080 4.409 . 0 0 "[ . 1 . 2]" 2
1999 2 5 ARG QG 2 45 THR HB . . 4.810 4.052 3.773 4.617 . 0 0 "[ . 1 . 2]" 2
2000 2 5 ARG QG 2 45 THR MG . . 3.130 1.926 1.825 2.165 . 0 0 "[ . 1 . 2]" 2
2001 2 5 ARG QG 2 46 VAL H . . 4.620 3.945 3.661 4.104 . 0 0 "[ . 1 . 2]" 2
2002 2 5 ARG QG 2 47 GLU HA . . 4.460 3.441 3.156 3.746 . 0 0 "[ . 1 . 2]" 2
2003 2 6 ILE HA 2 7 SER QB . . 4.770 4.597 4.039 4.751 . 0 0 "[ . 1 . 2]" 2
2004 2 6 ILE MG 2 23 LEU QD . . 3.180 2.855 2.724 2.972 . 0 0 "[ . 1 . 2]" 2
2005 2 6 ILE MD 2 23 LEU QD . . 2.690 1.773 1.720 1.820 . 0 0 "[ . 1 . 2]" 2
2006 2 7 SER H 2 7 SER QB . . 3.400 2.865 2.357 3.070 . 0 0 "[ . 1 . 2]" 2
2007 2 7 SER HA 2 44 VAL QG . . 5.440 4.093 3.668 4.420 . 0 0 "[ . 1 . 2]" 2
2008 2 7 SER QB 2 8 ILE H . . 3.610 3.302 3.069 3.671 0.061 17 0 "[ . 1 . 2]" 2
2009 2 7 SER QB 2 43 THR MG . . 3.200 3.166 3.008 3.222 0.022 7 0 "[ . 1 . 2]" 2
2010 2 7 SER QB 2 45 THR HA . . 3.370 3.164 2.977 3.325 . 0 0 "[ . 1 . 2]" 2
2011 2 7 SER QB 2 45 THR MG . . 4.110 2.394 1.928 2.759 . 0 0 "[ . 1 . 2]" 2
2012 2 8 ILE H 2 44 VAL QG . . 2.990 2.880 2.572 3.043 0.053 2 0 "[ . 1 . 2]" 2
2013 2 8 ILE HA 2 8 ILE QG . . 3.500 3.020 2.484 3.307 . 0 0 "[ . 1 . 2]" 2
2014 2 8 ILE HB 2 44 VAL QG . . 4.040 3.306 1.922 4.181 0.141 16 0 "[ . 1 . 2]" 2
2015 2 8 ILE QG 2 8 ILE MG . . 3.030 2.282 2.119 2.361 . 0 0 "[ . 1 . 2]" 2
2016 2 8 ILE QG 2 9 THR H . . 4.900 3.952 3.839 4.135 . 0 0 "[ . 1 . 2]" 2
2017 2 8 ILE QG 2 44 VAL QG . . 3.200 2.226 1.793 3.059 . 0 0 "[ . 1 . 2]" 2
2018 2 8 ILE MD 2 44 VAL QG . . 4.460 2.133 2.004 2.234 . 0 0 "[ . 1 . 2]" 2
2019 2 9 THR MG 2 42 ASP QB . . 4.740 4.718 4.532 4.770 0.030 16 0 "[ . 1 . 2]" 2
2020 2 11 ARG H 2 11 ARG QD . . 4.800 3.529 2.164 4.421 . 0 0 "[ . 1 . 2]" 2
2021 2 11 ARG HA 2 11 ARG QD . . 4.830 4.211 3.859 4.461 . 0 0 "[ . 1 . 2]" 2
2022 2 11 ARG QD 2 12 THR HB . . 4.880 4.837 4.306 4.963 0.083 16 0 "[ . 1 . 2]" 2
2023 2 13 LYS QB 2 17 GLU QB . . 5.010 4.386 3.664 4.792 . 0 0 "[ . 1 . 2]" 2
2024 2 14 LYS H 2 14 LYS QB . . 2.770 2.250 2.040 2.554 . 0 0 "[ . 1 . 2]" 2
2025 2 14 LYS H 2 14 LYS QG . . 3.840 3.041 1.935 3.832 . 0 0 "[ . 1 . 2]" 2
2026 2 14 LYS HA 2 14 LYS QG . . 2.850 2.447 2.098 2.851 0.001 18 0 "[ . 1 . 2]" 2
2027 2 14 LYS HA 2 17 GLU QB . . 3.270 2.658 2.313 3.169 . 0 0 "[ . 1 . 2]" 2
2028 2 14 LYS HA 2 17 GLU QG . . 4.110 3.393 2.463 4.019 . 0 0 "[ . 1 . 2]" 2
2029 2 14 LYS QB 2 15 GLU H . . 3.530 2.700 2.508 2.823 . 0 0 "[ . 1 . 2]" 2
2030 2 14 LYS QB 2 17 GLU QB . . 4.760 4.465 4.167 4.808 0.048 8 0 "[ . 1 . 2]" 2
2031 2 14 LYS QE 2 14 LYS QG . . 2.950 2.131 1.969 2.372 . 0 0 "[ . 1 . 2]" 2
2032 2 14 LYS QG 2 15 GLU H . . 4.890 4.330 3.896 4.625 . 0 0 "[ . 1 . 2]" 2
2033 2 16 ALA HA 2 17 GLU QB . . 5.340 5.290 5.251 5.333 . 0 0 "[ . 1 . 2]" 2
2034 2 16 ALA HA 2 44 VAL QG . . 4.030 3.286 2.808 3.668 . 0 0 "[ . 1 . 2]" 2
2035 2 16 ALA MB 2 44 VAL QG . . 4.150 1.783 1.623 1.906 . 0 0 "[ . 1 . 2]" 2
2036 2 17 GLU H 2 17 GLU QB . . 3.350 2.157 2.090 2.229 . 0 0 "[ . 1 . 2]" 2
2037 2 17 GLU H 2 17 GLU QG . . 3.500 2.911 2.775 3.070 . 0 0 "[ . 1 . 2]" 2
2038 2 17 GLU QB 2 18 LYS H . . 3.560 2.875 2.579 3.340 . 0 0 "[ . 1 . 2]" 2
2039 2 17 GLU QB 2 20 ALA MB . . 5.340 4.119 3.760 4.350 . 0 0 "[ . 1 . 2]" 2
2040 2 17 GLU QG 2 18 LYS H . . 4.700 3.694 2.113 4.470 . 0 0 "[ . 1 . 2]" 2
2041 2 17 GLU QG 2 20 ALA MB . . 4.630 4.084 3.654 4.647 0.017 12 0 "[ . 1 . 2]" 2
2042 2 18 LYS QB 2 18 LYS QE . . 3.820 3.599 3.493 3.660 . 0 0 "[ . 1 . 2]" 2
2043 2 18 LYS QE 2 18 LYS HG2 . . 3.420 2.346 2.003 2.663 . 0 0 "[ . 1 . 2]" 2
2044 2 18 LYS QE 2 18 LYS HG3 . . 3.580 2.458 2.118 2.871 . 0 0 "[ . 1 . 2]" 2
2045 2 19 PHE HA 2 23 LEU QD . . 5.440 4.119 3.834 4.283 . 0 0 "[ . 1 . 2]" 2
2046 2 19 PHE HB3 2 23 LEU QD . . 5.140 3.195 2.877 3.411 . 0 0 "[ . 1 . 2]" 2
2047 2 19 PHE QD 2 23 LEU QD . . 3.720 3.611 3.386 3.751 0.031 14 0 "[ . 1 . 2]" 2
2048 2 20 ALA H 2 23 LEU QD . . 5.440 4.877 4.636 5.017 . 0 0 "[ . 1 . 2]" 2
2049 2 20 ALA H 2 44 VAL QG . . 4.630 4.252 3.747 4.623 . 0 0 "[ . 1 . 2]" 2
2050 2 20 ALA HA 2 23 LEU QD . . 3.790 3.731 3.566 3.807 0.017 19 0 "[ . 1 . 2]" 2
2051 2 20 ALA MB 2 44 VAL QG . . 3.610 3.151 2.603 3.539 . 0 0 "[ . 1 . 2]" 2
2052 2 23 LEU H 2 23 LEU QD . . 3.790 2.628 2.523 2.725 . 0 0 "[ . 1 . 2]" 2
2053 2 23 LEU HA 2 23 LEU QD . . 3.100 1.888 1.856 1.919 . 0 0 "[ . 1 . 2]" 2
2054 2 23 LEU QD 2 26 VAL H . . 5.440 4.219 4.189 4.257 . 0 0 "[ . 1 . 2]" 2
2055 2 23 LEU QD 2 26 VAL HB . . 3.060 2.990 2.931 3.059 . 0 0 "[ . 1 . 2]" 2
2056 2 23 LEU QD 2 27 PHE QD . . 3.130 2.771 2.596 2.932 . 0 0 "[ . 1 . 2]" 2
2057 2 26 VAL HA 2 29 GLU QG . . 3.580 2.210 1.949 2.381 . 0 0 "[ . 1 . 2]" 2
2058 2 26 VAL HA 2 30 LEU QD . . 5.310 3.765 3.490 4.135 . 0 0 "[ . 1 . 2]" 2
2059 2 26 VAL MG1 2 30 LEU QD . . 4.310 1.940 1.855 2.206 . 0 0 "[ . 1 . 2]" 2
2060 2 27 PHE HA 2 30 LEU QD . . 4.370 2.560 2.183 2.985 . 0 0 "[ . 1 . 2]" 2
2061 2 28 ALA HA 2 31 GLY QA . . 5.080 4.328 4.252 4.455 . 0 0 "[ . 1 . 2]" 2
2062 2 28 ALA MB 2 33 ASN QD . . 5.310 3.416 2.145 4.879 . 0 0 "[ . 1 . 2]" 2
2063 2 29 GLU H 2 29 GLU QG . . 3.130 2.581 2.222 2.732 . 0 0 "[ . 1 . 2]" 2
2064 2 29 GLU H 2 30 LEU QD . . 5.440 4.715 4.571 4.857 . 0 0 "[ . 1 . 2]" 2
2065 2 29 GLU HA 2 29 GLU QG . . 3.520 3.380 3.336 3.396 . 0 0 "[ . 1 . 2]" 2
2066 2 29 GLU HB3 2 30 LEU QD . . 5.220 5.218 5.097 5.282 0.062 11 0 "[ . 1 . 2]" 2
2067 2 29 GLU QG 2 30 LEU H . . 3.550 2.429 2.365 2.581 . 0 0 "[ . 1 . 2]" 2
2068 2 29 GLU QG 2 30 LEU QD . . 3.140 3.102 2.941 3.166 0.026 12 0 "[ . 1 . 2]" 2
2069 2 30 LEU H 2 30 LEU QD . . 3.640 3.400 3.297 3.472 . 0 0 "[ . 1 . 2]" 2
2070 2 30 LEU H 2 31 GLY QA . . 4.830 4.315 4.284 4.353 . 0 0 "[ . 1 . 2]" 2
2071 2 30 LEU HA 2 30 LEU QD . . 3.320 2.302 2.054 2.526 . 0 0 "[ . 1 . 2]" 2
2072 2 30 LEU HA 2 31 GLY QA . . 4.580 4.165 4.143 4.187 . 0 0 "[ . 1 . 2]" 2
2073 2 30 LEU HB2 2 30 LEU QD . . 3.120 2.155 1.978 2.312 . 0 0 "[ . 1 . 2]" 2
2074 2 30 LEU HB3 2 50 LEU QD . . 4.750 3.818 3.515 4.427 . 0 0 "[ . 1 . 2]" 2
2075 2 30 LEU QD 2 31 GLY H . . 5.020 4.464 4.413 4.556 . 0 0 "[ . 1 . 2]" 2
2076 2 30 LEU QD 2 32 TYR H . . 5.440 4.475 4.421 4.544 . 0 0 "[ . 1 . 2]" 2
2077 2 30 LEU QD 2 32 TYR QD . . 3.520 3.329 3.228 3.418 . 0 0 "[ . 1 . 2]" 2
2078 2 30 LEU QD 2 32 TYR QE . . 3.640 2.894 2.594 3.061 . 0 0 "[ . 1 . 2]" 2
2079 2 31 GLY QA 2 32 TYR HA . . 5.010 4.041 4.034 4.044 . 0 0 "[ . 1 . 2]" 2
2080 2 31 GLY QA 2 32 TYR QD . . 5.130 3.651 3.616 3.699 . 0 0 "[ . 1 . 2]" 2
2081 2 31 GLY QA 2 33 ASN H . . 4.670 3.193 3.172 3.216 . 0 0 "[ . 1 . 2]" 2
2082 2 31 GLY QA 2 50 LEU HG . . 5.340 4.686 3.715 5.324 . 0 0 "[ . 1 . 2]" 2
2083 2 31 GLY QA 2 50 LEU QD . . 4.020 2.799 2.433 3.319 . 0 0 "[ . 1 . 2]" 2
2084 2 32 TYR H 2 50 LEU QD . . 5.440 3.748 3.249 4.523 . 0 0 "[ . 1 . 2]" 2
2085 2 32 TYR HA 2 50 LEU QD . . 3.850 2.862 1.996 3.621 . 0 0 "[ . 1 . 2]" 2
2086 2 32 TYR QD 2 48 GLY QA . . 4.880 3.238 3.062 3.391 . 0 0 "[ . 1 . 2]" 2
2087 2 32 TYR QD 2 50 LEU QD . . 3.600 2.913 2.487 3.593 . 0 0 "[ . 1 . 2]" 2
2088 2 32 TYR QE 2 50 LEU QD . . 3.400 2.483 2.258 2.764 . 0 0 "[ . 1 . 2]" 2
2089 2 33 ASN H 2 50 LEU QD . . 5.030 4.411 3.911 5.025 . 0 0 "[ . 1 . 2]" 2
2090 2 33 ASN HA 2 33 ASN QD . . 3.540 2.760 1.975 3.587 0.047 19 0 "[ . 1 . 2]" 2
2091 2 33 ASN QB 2 33 ASN QD . . 2.600 2.286 2.063 2.506 . 0 0 "[ . 1 . 2]" 2
2092 2 35 ILE HA 2 48 GLY QA . . 3.840 2.633 2.540 2.800 . 0 0 "[ . 1 . 2]" 2
2093 2 35 ILE HG13 2 48 GLY QA . . 3.410 2.383 2.343 2.478 . 0 0 "[ . 1 . 2]" 2
2094 2 35 ILE MD 2 48 GLY QA . . 3.620 1.975 1.829 2.258 . 0 0 "[ . 1 . 2]" 2
2095 2 36 ASN H 2 47 GLU QB . . 4.470 3.351 3.096 3.612 . 0 0 "[ . 1 . 2]" 2
2096 2 36 ASN H 2 48 GLY QA . . 4.510 3.496 3.296 3.691 . 0 0 "[ . 1 . 2]" 2
2097 2 36 ASN QB 2 47 GLU QB . . 3.780 2.864 2.520 3.251 . 0 0 "[ . 1 . 2]" 2
2098 2 37 VAL MG1 2 44 VAL QG . . 4.910 4.022 3.572 4.536 . 0 0 "[ . 1 . 2]" 2
2099 2 39 TRP H 2 39 TRP QB . . 3.420 2.827 2.536 2.962 . 0 0 "[ . 1 . 2]" 2
2100 2 39 TRP HA 2 39 TRP QB . . 2.540 2.192 2.181 2.331 . 0 0 "[ . 1 . 2]" 2
2101 2 39 TRP QB 2 39 TRP HD1 . . 3.360 2.625 2.592 2.663 . 0 0 "[ . 1 . 2]" 2
2102 2 39 TRP QB 2 39 TRP HE3 . . 3.440 2.537 2.489 2.588 . 0 0 "[ . 1 . 2]" 2
2103 2 39 TRP QB 2 40 ASP H . . 3.300 3.053 2.842 3.306 0.006 8 0 "[ . 1 . 2]" 2
2104 2 39 TRP QB 2 44 VAL HA . . 5.020 3.044 2.764 3.813 . 0 0 "[ . 1 . 2]" 2
2105 2 40 ASP H 2 40 ASP QB . . 3.290 2.665 2.547 2.771 . 0 0 "[ . 1 . 2]" 2
2106 2 40 ASP HA 2 41 GLY QA . . 4.350 3.893 3.888 3.922 . 0 0 "[ . 1 . 2]" 2
2107 2 40 ASP QB 2 43 THR HB . . 4.350 4.210 3.813 4.349 . 0 0 "[ . 1 . 2]" 2
2108 2 41 GLY QA 2 42 ASP H . . 2.930 2.374 2.237 2.681 . 0 0 "[ . 1 . 2]" 2
2109 2 42 ASP H 2 42 ASP QB . . 3.530 2.800 2.647 3.291 . 0 0 "[ . 1 . 2]" 2
2110 2 42 ASP QB 2 43 THR MG . . 5.340 4.843 4.469 5.132 . 0 0 "[ . 1 . 2]" 2
2111 2 43 THR HA 2 44 VAL QG . . 4.150 3.503 3.325 3.789 . 0 0 "[ . 1 . 2]" 2
2112 2 44 VAL H 2 44 VAL QG . . 3.740 1.976 1.878 2.653 . 0 0 "[ . 1 . 2]" 2
2113 2 44 VAL QG 2 45 THR H . . 3.980 2.919 2.245 3.538 . 0 0 "[ . 1 . 2]" 2
2114 2 45 THR MG 2 47 GLU QG . . 4.510 3.195 2.819 3.867 . 0 0 "[ . 1 . 2]" 2
2115 2 46 VAL HA 2 47 GLU QB . . 5.340 4.081 3.923 4.426 . 0 0 "[ . 1 . 2]" 2
2116 2 47 GLU H 2 47 GLU QB . . 3.410 2.458 2.388 2.616 . 0 0 "[ . 1 . 2]" 2
2117 2 47 GLU H 2 47 GLU QG . . 4.220 3.502 2.703 4.043 . 0 0 "[ . 1 . 2]" 2
2118 2 47 GLU HA 2 47 GLU QG . . 2.930 2.236 2.038 2.534 . 0 0 "[ . 1 . 2]" 2
2119 2 47 GLU QB 2 48 GLY H . . 3.830 3.418 3.264 3.579 . 0 0 "[ . 1 . 2]" 2
2120 2 47 GLU QB 2 48 GLY QA . . 5.180 3.922 3.888 3.977 . 0 0 "[ . 1 . 2]" 2
2121 2 47 GLU QG 2 48 GLY H . . 4.590 3.661 2.872 4.317 . 0 0 "[ . 1 . 2]" 2
2122 2 48 GLY QA 2 49 GLN H . . 3.050 2.207 2.148 2.272 . 0 0 "[ . 1 . 2]" 2
2123 2 48 GLY QA 2 49 GLN HA . . 4.640 3.940 3.935 3.946 . 0 0 "[ . 1 . 2]" 2
2124 2 48 GLY QA 2 49 GLN HB3 . . 5.340 4.117 3.938 4.320 . 0 0 "[ . 1 . 2]" 2
2125 2 48 GLY QA 2 49 GLN HE21 . . 5.340 4.069 3.533 4.991 . 0 0 "[ . 1 . 2]" 2
2126 2 50 LEU H 2 50 LEU QD . . 3.970 3.785 3.668 3.906 . 0 0 "[ . 1 . 2]" 2
2127 2 50 LEU HA 2 50 LEU QD . . 3.080 2.076 1.956 2.735 . 0 0 "[ . 1 . 2]" 2
2128 2 50 LEU HA 2 51 GLU QB . . 5.050 4.358 4.043 4.542 . 0 0 "[ . 1 . 2]" 2
2129 2 50 LEU QD 2 51 GLU H . . 3.610 2.145 1.836 3.619 0.009 17 0 "[ . 1 . 2]" 2
2130 2 50 LEU QD 2 51 GLU QB . . 5.210 4.071 3.397 4.991 . 0 0 "[ . 1 . 2]" 2
2131 2 50 LEU QD 2 51 GLU QG . . 4.540 3.101 2.615 4.257 . 0 0 "[ . 1 . 2]" 2
2132 2 50 LEU QD 2 52 GLY QA . . 3.750 2.944 2.262 3.593 . 0 0 "[ . 1 . 2]" 2
2133 2 51 GLU H 2 51 GLU QB . . 3.150 2.815 2.259 3.053 . 0 0 "[ . 1 . 2]" 2
2134 2 51 GLU HA 2 52 GLY QA . . 5.290 4.209 4.011 4.459 . 0 0 "[ . 1 . 2]" 2
2135 2 51 GLU QG 2 52 GLY QA . . 4.940 3.572 3.073 3.896 . 0 0 "[ . 1 . 2]" 2
2136 2 54 SER H 2 54 SER QB . . 3.630 3.035 2.677 3.468 . 0 0 "[ . 1 . 2]" 2
2137 2 54 SER H 2 55 LEU QD . . 3.910 3.426 2.248 3.920 0.010 5 0 "[ . 1 . 2]" 2
2138 2 54 SER HA 2 55 LEU QD . . 5.440 3.570 2.281 5.018 . 0 0 "[ . 1 . 2]" 2
2139 2 54 SER QB 2 55 LEU H . . 3.820 2.653 1.969 3.616 . 0 0 "[ . 1 . 2]" 2
2140 2 55 LEU H 2 55 LEU QB . . 3.210 2.639 2.207 3.311 0.101 17 0 "[ . 1 . 2]" 2
2141 2 55 LEU HA 2 55 LEU QD . . 3.250 2.183 1.847 3.016 . 0 0 "[ . 1 . 2]" 2
2142 2 55 LEU QB 2 56 GLU H . . 4.260 3.238 1.994 3.989 . 0 0 "[ . 1 . 2]" 2
2143 2 55 LEU QD 2 56 GLU H . . 4.890 3.856 3.010 4.634 . 0 0 "[ . 1 . 2]" 2
2144 2 55 LEU QD 2 56 GLU HA . . 5.440 5.111 4.039 5.496 0.056 16 0 "[ . 1 . 2]" 2
2145 2 56 GLU H 2 56 GLU QB . . 3.580 2.608 2.220 3.248 . 0 0 "[ . 1 . 2]" 2
2146 2 56 GLU HA 2 56 GLU QG . . 3.650 2.875 2.509 3.377 . 0 0 "[ . 1 . 2]" 2
2147 2 56 GLU HA 2 57 HIS QB . . 4.960 4.008 3.714 5.096 0.136 5 0 "[ . 1 . 2]" 2
2148 2 56 GLU QB 2 56 GLU QG . . 2.340 2.061 2.021 2.086 . 0 0 "[ . 1 . 2]" 2
2149 2 56 GLU QG 2 57 HIS HA . . 3.960 3.248 2.869 3.961 0.001 6 0 "[ . 1 . 2]" 2
2150 2 56 GLU QG 2 58 HIS H . . 5.340 4.068 1.932 4.965 . 0 0 "[ . 1 . 2]" 2
2151 2 57 HIS HA 2 57 HIS QB . . 2.620 2.473 2.185 2.540 . 0 0 "[ . 1 . 2]" 2
2152 2 57 HIS QB 2 57 HIS HD2 . . 3.040 2.832 2.648 3.062 0.022 6 0 "[ . 1 . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 36
_Distance_constraint_stats_list.Viol_count 715
_Distance_constraint_stats_list.Viol_total 3137.885
_Distance_constraint_stats_list.Viol_max 0.352
_Distance_constraint_stats_list.Viol_rms 0.0667
_Distance_constraint_stats_list.Viol_average_all_restraints 0.2179
_Distance_constraint_stats_list.Viol_average_violations_only 0.2194
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 6 ILE 9.119 0.300 19 0 "[ . 1 . 2]"
1 7 SER 18.651 0.311 18 0 "[ . 1 . 2]"
1 8 ILE 10.539 0.352 20 0 "[ . 1 . 2]"
1 16 ALA 8.101 0.264 11 0 "[ . 1 . 2]"
1 19 PHE 10.374 0.322 4 0 "[ . 1 . 2]"
1 20 ALA 14.986 0.264 11 0 "[ . 1 . 2]"
1 22 ILE 11.017 0.310 8 0 "[ . 1 . 2]"
1 23 LEU 16.788 0.322 4 0 "[ . 1 . 2]"
1 24 ILE 6.885 0.261 12 0 "[ . 1 . 2]"
1 26 VAL 11.017 0.310 8 0 "[ . 1 . 2]"
1 27 PHE 6.414 0.204 11 0 "[ . 1 . 2]"
1 38 THR 8.315 0.276 1 0 "[ . 1 . 2]"
1 44 VAL 10.539 0.352 20 0 "[ . 1 . 2]"
1 45 THR 8.315 0.276 1 0 "[ . 1 . 2]"
1 46 VAL 9.119 0.300 19 0 "[ . 1 . 2]"
2 6 ILE 9.654 0.312 17 0 "[ . 1 . 2]"
2 7 SER 18.651 0.311 18 0 "[ . 1 . 2]"
2 8 ILE 8.197 0.344 17 0 "[ . 1 . 2]"
2 16 ALA 7.108 0.264 17 0 "[ . 1 . 2]"
2 19 PHE 10.079 0.323 16 0 "[ . 1 . 2]"
2 20 ALA 13.978 0.264 17 0 "[ . 1 . 2]"
2 22 ILE 11.037 0.328 1 0 "[ . 1 . 2]"
2 23 LEU 16.754 0.323 16 0 "[ . 1 . 2]"
2 24 ILE 6.870 0.233 16 0 "[ . 1 . 2]"
2 26 VAL 11.037 0.328 1 0 "[ . 1 . 2]"
2 27 PHE 6.675 0.211 3 0 "[ . 1 . 2]"
2 38 THR 7.859 0.273 4 0 "[ . 1 . 2]"
2 44 VAL 8.197 0.344 17 0 "[ . 1 . 2]"
2 45 THR 7.859 0.273 4 0 "[ . 1 . 2]"
2 46 VAL 9.654 0.312 17 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 6 ILE H 1 46 VAL O . . 1.800 2.034 2.012 2.074 0.274 19 0 "[ . 1 . 2]" 3
2 1 6 ILE N 1 46 VAL O . . 2.700 2.922 2.874 3.000 0.300 19 0 "[ . 1 . 2]" 3
3 1 8 ILE H 1 44 VAL O . . 1.800 2.055 1.807 2.101 0.301 15 0 "[ . 1 . 2]" 3
4 1 8 ILE N 1 44 VAL O . . 2.700 2.972 2.743 3.052 0.352 20 0 "[ . 1 . 2]" 3
5 1 16 ALA O 1 20 ALA H . . 1.800 1.982 1.812 2.017 0.217 11 0 "[ . 1 . 2]" 3
6 1 16 ALA O 1 20 ALA N . . 2.700 2.923 2.752 2.964 0.264 11 0 "[ . 1 . 2]" 3
7 1 19 PHE O 1 23 LEU H . . 1.800 2.021 1.900 2.047 0.247 11 0 "[ . 1 . 2]" 3
8 1 19 PHE O 1 23 LEU N . . 2.700 2.997 2.878 3.022 0.322 4 0 "[ . 1 . 2]" 3
9 1 22 ILE O 1 26 VAL H . . 1.800 2.052 2.037 2.071 0.271 14 0 "[ . 1 . 2]" 3
10 1 22 ILE O 1 26 VAL N . . 2.700 2.999 2.988 3.010 0.310 8 0 "[ . 1 . 2]" 3
11 1 23 LEU O 1 27 PHE H . . 1.800 1.947 1.885 1.983 0.183 11 0 "[ . 1 . 2]" 3
12 1 23 LEU O 1 27 PHE N . . 2.700 2.873 2.814 2.904 0.204 11 0 "[ . 1 . 2]" 3
13 1 38 THR H 1 45 THR O . . 1.800 1.976 1.836 2.007 0.207 4 0 "[ . 1 . 2]" 3
14 1 38 THR N 1 45 THR O . . 2.700 2.939 2.799 2.976 0.276 1 0 "[ . 1 . 2]" 3
15 1 20 ALA O 1 24 ILE H . . 1.800 1.957 1.854 2.027 0.227 12 0 "[ . 1 . 2]" 3
16 1 20 ALA O 1 24 ILE N . . 2.700 2.887 2.796 2.961 0.261 12 0 "[ . 1 . 2]" 3
17 2 6 ILE H 2 46 VAL O . . 1.800 2.037 2.017 2.072 0.272 17 0 "[ . 1 . 2]" 3
18 2 6 ILE N 2 46 VAL O . . 2.700 2.945 2.881 3.012 0.312 17 0 "[ . 1 . 2]" 3
19 2 8 ILE H 2 44 VAL O . . 1.800 1.987 1.793 2.104 0.304 10 0 "[ . 1 . 2]" 3
20 2 8 ILE N 2 44 VAL O . . 2.700 2.922 2.748 3.044 0.344 17 0 "[ . 1 . 2]" 3
21 2 16 ALA O 2 20 ALA H . . 1.800 1.956 1.808 2.009 0.209 17 0 "[ . 1 . 2]" 3
22 2 16 ALA O 2 20 ALA N . . 2.700 2.899 2.750 2.964 0.264 17 0 "[ . 1 . 2]" 3
23 2 19 PHE O 2 23 LEU H . . 1.800 2.014 1.895 2.048 0.248 16 0 "[ . 1 . 2]" 3
24 2 19 PHE O 2 23 LEU N . . 2.700 2.990 2.873 3.023 0.323 16 0 "[ . 1 . 2]" 3
25 2 22 ILE O 2 26 VAL H . . 1.800 2.051 2.036 2.063 0.263 4 0 "[ . 1 . 2]" 3
26 2 22 ILE O 2 26 VAL N . . 2.700 3.001 2.983 3.028 0.328 1 0 "[ . 1 . 2]" 3
27 2 23 LEU O 2 27 PHE H . . 1.800 1.955 1.920 1.984 0.184 3 0 "[ . 1 . 2]" 3
28 2 23 LEU O 2 27 PHE N . . 2.700 2.879 2.843 2.911 0.211 3 0 "[ . 1 . 2]" 3
29 2 38 THR H 2 45 THR O . . 1.800 1.967 1.799 2.009 0.209 8 0 "[ . 1 . 2]" 3
30 2 38 THR N 2 45 THR O . . 2.700 2.926 2.756 2.973 0.273 4 0 "[ . 1 . 2]" 3
31 2 20 ALA O 2 24 ILE H . . 1.800 1.959 1.876 2.013 0.213 16 0 "[ . 1 . 2]" 3
32 2 20 ALA O 2 24 ILE N . . 2.700 2.885 2.820 2.933 0.233 16 0 "[ . 1 . 2]" 3
33 1 7 SER H 2 7 SER O . . 1.800 2.001 1.942 2.022 0.222 19 0 "[ . 1 . 2]" 3
34 1 7 SER N 2 7 SER O . . 2.700 2.937 2.873 3.002 0.302 19 0 "[ . 1 . 2]" 3
35 1 7 SER O 2 7 SER H . . 1.800 2.021 1.980 2.042 0.242 18 0 "[ . 1 . 2]" 3
36 1 7 SER O 2 7 SER N . . 2.700 2.974 2.877 3.011 0.311 18 0 "[ . 1 . 2]" 3
stop_
save_