NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
436127 | 2k0d | 15645 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2k0d 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 2088 _Distance_constraint_stats_list.Viol_count 4152 _Distance_constraint_stats_list.Viol_total 8968.700 _Distance_constraint_stats_list.Viol_max 0.396 _Distance_constraint_stats_list.Viol_rms 0.0238 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0048 _Distance_constraint_stats_list.Viol_average_violations_only 0.0720 _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 9 GLU 0.991 0.077 27 0 "[ . 1 . 2 . 3]" 1 10 LEU 9.085 0.189 29 0 "[ . 1 . 2 . 3]" 1 11 LYS 15.380 0.182 13 0 "[ . 1 . 2 . 3]" 1 12 ASN 2.030 0.161 29 0 "[ . 1 . 2 . 3]" 1 13 SER 2.624 0.104 17 0 "[ . 1 . 2 . 3]" 1 14 ILE 4.699 0.178 30 0 "[ . 1 . 2 . 3]" 1 15 SER 2.704 0.097 17 0 "[ . 1 . 2 . 3]" 1 16 ASP 6.791 0.182 13 0 "[ . 1 . 2 . 3]" 1 17 TYR 9.991 0.179 29 0 "[ . 1 . 2 . 3]" 1 18 THR 1.387 0.194 17 0 "[ . 1 . 2 . 3]" 1 19 GLU 6.637 0.166 14 0 "[ . 1 . 2 . 3]" 1 20 ALA 7.378 0.216 29 0 "[ . 1 . 2 . 3]" 1 21 GLU 2.657 0.166 14 0 "[ . 1 . 2 . 3]" 1 22 PHE 5.837 0.179 29 0 "[ . 1 . 2 . 3]" 1 23 VAL 12.597 0.274 6 0 "[ . 1 . 2 . 3]" 1 24 GLN 7.834 0.177 25 0 "[ . 1 . 2 . 3]" 1 25 LEU 12.958 0.177 25 0 "[ . 1 . 2 . 3]" 1 26 LEU 26.201 0.396 17 0 "[ . 1 . 2 . 3]" 1 27 LYS 7.373 0.224 12 0 "[ . 1 . 2 . 3]" 1 28 GLU 6.075 0.224 12 0 "[ . 1 . 2 . 3]" 1 29 ILE 3.071 0.148 24 0 "[ . 1 . 2 . 3]" 1 30 GLU 7.489 0.252 26 0 "[ . 1 . 2 . 3]" 1 31 LYS 6.226 0.252 26 0 "[ . 1 . 2 . 3]" 1 32 GLU 10.704 0.228 27 0 "[ . 1 . 2 . 3]" 1 33 ASN 0.014 0.007 11 0 "[ . 1 . 2 . 3]" 1 34 VAL 0.116 0.033 17 0 "[ . 1 . 2 . 3]" 1 35 ALA 0.297 0.102 13 0 "[ . 1 . 2 . 3]" 1 36 ALA 1.606 0.169 3 0 "[ . 1 . 2 . 3]" 1 37 THR 3.247 0.147 1 0 "[ . 1 . 2 . 3]" 1 38 ASP 5.085 0.145 22 0 "[ . 1 . 2 . 3]" 1 39 ASP 3.160 0.207 10 0 "[ . 1 . 2 . 3]" 1 40 VAL 14.648 0.228 27 0 "[ . 1 . 2 . 3]" 1 41 LEU 21.666 0.298 8 0 "[ . 1 . 2 . 3]" 1 42 ASP 12.751 0.259 15 0 "[ . 1 . 2 . 3]" 1 43 VAL 29.860 0.334 7 0 "[ . 1 . 2 . 3]" 1 44 LEU 19.573 0.334 7 0 "[ . 1 . 2 . 3]" 1 45 LEU 13.822 0.194 7 0 "[ . 1 . 2 . 3]" 1 46 GLU 11.804 0.194 7 0 "[ . 1 . 2 . 3]" 1 47 HIS 9.027 0.148 21 0 "[ . 1 . 2 . 3]" 1 48 PHE 8.914 0.194 14 0 "[ . 1 . 2 . 3]" 1 49 VAL 18.498 0.314 29 0 "[ . 1 . 2 . 3]" 1 50 LYS 8.423 0.179 29 0 "[ . 1 . 2 . 3]" 1 51 ILE 7.463 0.166 14 0 "[ . 1 . 2 . 3]" 1 52 THR 0.169 0.037 5 0 "[ . 1 . 2 . 3]" 1 53 GLU 7.893 0.298 8 0 "[ . 1 . 2 . 3]" 1 54 HIS 2.048 0.088 26 0 "[ . 1 . 2 . 3]" 1 55 PRO 12.197 0.194 21 0 "[ . 1 . 2 . 3]" 1 56 ASP 9.049 0.222 21 0 "[ . 1 . 2 . 3]" 1 57 GLY 7.223 0.314 29 0 "[ . 1 . 2 . 3]" 1 58 THR 15.930 0.309 17 0 "[ . 1 . 2 . 3]" 1 59 ALA 4.414 0.222 21 0 "[ . 1 . 2 . 3]" 1 60 LEU 14.063 0.298 8 0 "[ . 1 . 2 . 3]" 1 61 ILE 11.228 0.210 2 0 "[ . 1 . 2 . 3]" 1 62 TYR 6.726 0.187 6 0 "[ . 1 . 2 . 3]" 1 63 GLU 5.755 0.195 8 0 "[ . 1 . 2 . 3]" 1 64 ALA 0.185 0.028 18 0 "[ . 1 . 2 . 3]" 1 65 ALA 0.092 0.033 17 0 "[ . 1 . 2 . 3]" 1 66 ALA 0.101 0.057 8 0 "[ . 1 . 2 . 3]" 1 67 ARG 1.850 0.195 8 0 "[ . 1 . 2 . 3]" 1 68 ALA 2.460 0.156 20 0 "[ . 1 . 2 . 3]" 1 69 ALA 2.702 0.210 2 0 "[ . 1 . 2 . 3]" 1 70 ALA 0.823 0.144 4 0 "[ . 1 . 2 . 3]" 1 71 ASN 2.738 0.207 13 0 "[ . 1 . 2 . 3]" 1 72 PRO 1.710 0.166 11 0 "[ . 1 . 2 . 3]" 1 73 GLY 1.524 0.158 17 0 "[ . 1 . 2 . 3]" 1 74 GLY 1.605 0.158 17 0 "[ . 1 . 2 . 3]" 1 75 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 76 GLY 3.008 0.158 17 0 "[ . 1 . 2 . 3]" 1 77 GLY 1.031 0.230 6 0 "[ . 1 . 2 . 3]" 1 78 GLY 3.892 0.230 6 0 "[ . 1 . 2 . 3]" 1 79 PRO 6.757 0.147 10 0 "[ . 1 . 2 . 3]" 1 80 GLU 8.682 0.248 5 0 "[ . 1 . 2 . 3]" 1 81 GLY 5.761 0.194 25 0 "[ . 1 . 2 . 3]" 1 82 ILE 13.389 0.274 6 0 "[ . 1 . 2 . 3]" 1 83 VAL 28.096 0.396 17 0 "[ . 1 . 2 . 3]" 1 84 LYS 9.032 0.267 30 0 "[ . 1 . 2 . 3]" 1 85 GLU 3.923 0.167 30 0 "[ . 1 . 2 . 3]" 1 86 ILE 11.632 0.195 7 0 "[ . 1 . 2 . 3]" 1 87 LYS 3.980 0.213 28 0 "[ . 1 . 2 . 3]" 1 88 GLU 3.709 0.157 10 0 "[ . 1 . 2 . 3]" 1 89 TRP 6.163 0.141 7 0 "[ . 1 . 2 . 3]" 1 90 ARG 9.488 0.149 19 0 "[ . 1 . 2 . 3]" 1 91 ALA 0.517 0.060 27 0 "[ . 1 . 2 . 3]" 1 92 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 93 ASN 2.702 0.185 9 0 "[ . 1 . 2 . 3]" 1 94 GLY 0.062 0.060 27 0 "[ . 1 . 2 . 3]" 1 95 LYS 12.592 0.239 27 0 "[ . 1 . 2 . 3]" 1 96 PRO 1.886 0.097 24 0 "[ . 1 . 2 . 3]" 1 97 GLY 0.138 0.066 10 0 "[ . 1 . 2 . 3]" 1 98 PHE 1.814 0.121 2 0 "[ . 1 . 2 . 3]" 1 99 LYS 15.721 0.258 17 0 "[ . 1 . 2 . 3]" 1 100 GLN 10.424 0.153 11 0 "[ . 1 . 2 . 3]" 1 101 GLY 4.020 0.122 16 0 "[ . 1 . 2 . 3]" 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 52 THR HA 1 53 GLU HA 5.140 . 5.140 4.768 4.563 5.006 . 0 0 "[ . 1 . 2 . 3]" 1 2 1 24 GLN HA 1 27 LYS HG2 5.390 . 5.390 4.633 3.997 5.077 . 0 0 "[ . 1 . 2 . 3]" 1 3 1 23 VAL MG2 1 27 LYS HG2 5.700 . 5.700 4.371 3.104 4.705 . 0 0 "[ . 1 . 2 . 3]" 1 4 1 10 LEU HG 1 17 TYR QE 5.700 . 5.700 5.685 5.365 5.780 0.080 24 0 "[ . 1 . 2 . 3]" 1 5 1 10 LEU HG 1 25 LEU MD2 5.700 . 5.700 3.052 2.260 3.397 . 0 0 "[ . 1 . 2 . 3]" 1 6 1 9 GLU HA 1 10 LEU HG 3.680 . 3.680 3.692 3.496 3.757 0.077 27 0 "[ . 1 . 2 . 3]" 1 7 1 24 GLN HA 1 27 LYS HG3 5.530 . 5.530 3.068 2.417 3.586 . 0 0 "[ . 1 . 2 . 3]" 1 8 1 14 ILE HA 1 51 ILE HG12 5.700 . 5.700 4.740 4.580 4.950 . 0 0 "[ . 1 . 2 . 3]" 1 9 1 41 LEU HA 1 45 LEU MD1 5.700 . 5.700 4.488 3.964 4.982 . 0 0 "[ . 1 . 2 . 3]" 1 10 1 41 LEU MD1 1 42 ASP HA 5.220 . 5.220 2.564 2.310 2.750 . 0 0 "[ . 1 . 2 . 3]" 1 11 1 45 LEU MD1 1 62 TYR QD 5.700 . 5.700 4.201 3.508 5.033 . 0 0 "[ . 1 . 2 . 3]" 1 12 1 45 LEU MD1 1 62 TYR QE 5.700 . 5.700 2.606 2.007 3.736 . 0 0 "[ . 1 . 2 . 3]" 1 13 1 45 LEU MD1 1 48 PHE QD 5.700 . 5.700 5.827 5.752 5.894 0.194 14 0 "[ . 1 . 2 . 3]" 1 14 1 33 ASN HA 1 41 LEU MD1 5.700 . 5.700 4.046 3.226 5.538 . 0 0 "[ . 1 . 2 . 3]" 1 15 1 51 ILE HG13 1 52 THR HA 5.700 . 5.700 3.471 2.946 3.691 . 0 0 "[ . 1 . 2 . 3]" 1 16 1 51 ILE HG13 1 52 THR HB 5.700 . 5.700 4.414 3.084 4.979 . 0 0 "[ . 1 . 2 . 3]" 1 17 1 29 ILE HA 1 44 LEU MD1 5.090 . 5.090 2.114 1.897 2.505 . 0 0 "[ . 1 . 2 . 3]" 1 18 1 32 GLU HB2 1 44 LEU MD1 5.700 . 5.700 2.987 2.230 3.956 . 0 0 "[ . 1 . 2 . 3]" 1 19 1 28 GLU HB3 1 44 LEU MD1 5.000 . 5.000 2.602 1.939 3.966 . 0 0 "[ . 1 . 2 . 3]" 1 20 1 25 LEU MD2 1 44 LEU MD1 5.700 . 5.700 3.155 2.517 3.910 . 0 0 "[ . 1 . 2 . 3]" 1 21 1 63 GLU HA 1 65 ALA HA 5.640 . 5.640 5.112 4.853 5.426 . 0 0 "[ . 1 . 2 . 3]" 1 22 1 63 GLU HA 1 63 GLU HG3 4.330 . 4.330 3.761 3.635 3.876 . 0 0 "[ . 1 . 2 . 3]" 1 23 1 63 GLU HA 1 66 ALA MB 4.520 . 4.520 2.696 2.441 3.030 . 0 0 "[ . 1 . 2 . 3]" 1 24 1 62 TYR HB3 1 63 GLU HA 5.700 . 5.700 4.122 3.854 4.413 . 0 0 "[ . 1 . 2 . 3]" 1 25 1 49 VAL MG2 1 53 GLU HA 5.700 . 5.700 3.186 2.908 3.626 . 0 0 "[ . 1 . 2 . 3]" 1 26 1 26 LEU HA 1 27 LYS HG3 5.700 . 5.700 5.017 4.825 5.235 . 0 0 "[ . 1 . 2 . 3]" 1 27 1 51 ILE HG12 1 52 THR HA 5.700 . 5.700 4.702 4.235 4.931 . 0 0 "[ . 1 . 2 . 3]" 1 28 1 17 TYR QE 1 51 ILE HG12 5.700 . 5.700 3.498 3.375 3.719 . 0 0 "[ . 1 . 2 . 3]" 1 29 1 17 TYR QE 1 51 ILE HG13 5.650 . 5.650 2.612 2.196 3.937 . 0 0 "[ . 1 . 2 . 3]" 1 30 1 17 TYR QB 1 51 ILE HG13 5.700 . 5.700 5.549 5.256 5.723 0.023 23 0 "[ . 1 . 2 . 3]" 1 31 1 14 ILE MD 1 51 ILE HG13 5.700 . 5.700 3.024 2.224 4.012 . 0 0 "[ . 1 . 2 . 3]" 1 32 1 63 GLU HA 1 67 ARG QB 5.700 . 5.700 4.594 4.014 4.827 . 0 0 "[ . 1 . 2 . 3]" 1 33 1 62 TYR HA 1 63 GLU HA 5.690 . 5.690 4.609 4.545 4.750 . 0 0 "[ . 1 . 2 . 3]" 1 34 1 31 LYS QB 1 32 GLU HA 5.090 . 5.090 4.096 3.649 4.375 . 0 0 "[ . 1 . 2 . 3]" 1 35 1 32 GLU HA 1 35 ALA MB 4.050 . 4.050 2.594 2.155 3.243 . 0 0 "[ . 1 . 2 . 3]" 1 36 1 32 GLU HA 1 34 VAL QG 5.700 . 5.700 4.328 3.552 5.210 . 0 0 "[ . 1 . 2 . 3]" 1 37 1 31 LYS HG2 1 32 GLU HA 5.700 . 5.700 4.243 3.389 5.187 . 0 0 "[ . 1 . 2 . 3]" 1 38 1 51 ILE HG12 1 52 THR MG 5.600 . 5.600 3.424 3.073 3.960 . 0 0 "[ . 1 . 2 . 3]" 1 39 1 48 PHE HA 1 51 ILE HG13 5.360 . 5.360 3.284 2.999 3.612 . 0 0 "[ . 1 . 2 . 3]" 1 40 1 14 ILE HG12 1 51 ILE HG13 5.400 . 5.400 5.144 4.593 5.441 0.041 5 0 "[ . 1 . 2 . 3]" 1 41 1 22 PHE QB 1 25 LEU MD1 5.700 . 5.700 4.483 3.513 5.599 . 0 0 "[ . 1 . 2 . 3]" 1 42 1 32 GLU HA 1 41 LEU MD2 5.700 . 5.700 4.543 3.956 5.551 . 0 0 "[ . 1 . 2 . 3]" 1 43 1 32 GLU HA 1 33 ASN HA 5.700 . 5.700 4.742 4.548 4.952 . 0 0 "[ . 1 . 2 . 3]" 1 44 1 28 GLU HA 1 32 GLU HA 5.630 . 5.630 4.507 4.350 4.661 . 0 0 "[ . 1 . 2 . 3]" 1 45 1 31 LYS HG3 1 32 GLU HA 5.700 . 5.700 4.464 3.393 5.513 . 0 0 "[ . 1 . 2 . 3]" 1 46 1 17 TYR QE 1 25 LEU MD1 4.720 . 4.720 3.791 2.573 4.235 . 0 0 "[ . 1 . 2 . 3]" 1 47 1 25 LEU MD1 1 47 HIS HD2 4.580 . 4.580 3.422 2.713 4.582 0.002 27 0 "[ . 1 . 2 . 3]" 1 48 1 25 LEU MD1 1 48 PHE HA 5.700 . 5.700 2.809 2.214 3.397 . 0 0 "[ . 1 . 2 . 3]" 1 49 1 10 LEU MD2 1 25 LEU MD1 5.090 . 5.090 2.457 1.728 3.903 . 0 0 "[ . 1 . 2 . 3]" 1 50 1 10 LEU MD1 1 25 LEU MD1 3.740 . 3.740 2.350 1.836 3.668 . 0 0 "[ . 1 . 2 . 3]" 1 51 1 25 LEU MD1 1 44 LEU HB3 5.700 . 5.700 2.915 2.247 3.768 . 0 0 "[ . 1 . 2 . 3]" 1 52 1 18 THR MG 1 99 LYS HA 5.480 . 5.480 4.939 4.387 5.174 . 0 0 "[ . 1 . 2 . 3]" 1 53 1 99 LYS HA 1 99 LYS QE 5.040 . 5.040 4.301 3.977 5.206 0.166 1 0 "[ . 1 . 2 . 3]" 1 54 1 99 LYS HA 1 100 GLN HB3 5.610 . 5.610 5.510 4.285 5.674 0.064 19 0 "[ . 1 . 2 . 3]" 1 55 1 99 LYS HA 1 99 LYS QD 4.570 . 4.570 4.408 3.876 4.569 . 0 0 "[ . 1 . 2 . 3]" 1 56 1 87 LYS HG2 1 98 PHE QD 5.700 . 5.700 5.154 4.534 5.706 0.006 3 0 "[ . 1 . 2 . 3]" 1 57 1 22 PHE HA 1 25 LEU MD1 5.700 . 5.700 3.150 2.603 3.661 . 0 0 "[ . 1 . 2 . 3]" 1 58 1 25 LEU MD1 1 48 PHE HA 5.700 . 5.700 4.199 3.040 5.704 0.004 27 0 "[ . 1 . 2 . 3]" 1 59 1 25 LEU MD1 1 29 ILE HA 5.700 . 5.700 4.707 4.337 5.141 . 0 0 "[ . 1 . 2 . 3]" 1 60 1 87 LYS HG2 1 98 PHE QE 5.450 . 5.450 3.869 3.289 4.499 . 0 0 "[ . 1 . 2 . 3]" 1 61 1 87 LYS HG2 1 91 ALA MB 5.700 . 5.700 5.591 4.651 5.751 0.051 4 0 "[ . 1 . 2 . 3]" 1 62 1 83 VAL MG2 1 87 LYS HG2 5.700 . 5.700 4.457 4.050 5.047 . 0 0 "[ . 1 . 2 . 3]" 1 63 1 87 LYS HG3 1 98 PHE QD 5.700 . 5.700 5.323 4.801 5.726 0.026 1 0 "[ . 1 . 2 . 3]" 1 64 1 84 LYS HG2 1 87 LYS HG3 5.240 . 5.240 4.922 4.444 5.264 0.024 30 0 "[ . 1 . 2 . 3]" 1 65 1 87 LYS HG3 1 98 PHE QE 5.520 . 5.520 4.710 4.316 4.972 . 0 0 "[ . 1 . 2 . 3]" 1 66 1 25 LEU MD1 1 28 GLU HB3 5.700 . 5.700 4.813 3.870 5.724 0.024 3 0 "[ . 1 . 2 . 3]" 1 67 1 50 LYS HG3 1 51 ILE MD 5.700 . 5.700 4.814 4.481 5.842 0.142 6 0 "[ . 1 . 2 . 3]" 1 68 1 10 LEU MD1 1 44 LEU HA 5.700 . 5.700 4.421 3.634 5.424 . 0 0 "[ . 1 . 2 . 3]" 1 69 1 10 LEU MD1 1 12 ASN HD22 5.700 . 5.700 5.635 5.152 5.861 0.161 29 0 "[ . 1 . 2 . 3]" 1 70 1 13 SER HA 1 14 ILE HB 4.670 . 4.670 4.322 4.035 4.465 . 0 0 "[ . 1 . 2 . 3]" 1 71 1 17 TYR QE 1 50 LYS HG2 5.700 . 5.700 5.822 5.763 5.879 0.179 29 0 "[ . 1 . 2 . 3]" 1 72 1 28 GLU HA 1 31 LYS HG3 5.700 . 5.700 4.817 3.959 5.519 . 0 0 "[ . 1 . 2 . 3]" 1 73 1 89 TRP HZ3 1 95 LYS HG2 5.700 . 5.700 5.265 4.556 5.830 0.130 27 0 "[ . 1 . 2 . 3]" 1 74 1 10 LEU HB3 1 11 LYS QG 5.490 . 5.490 3.833 3.184 4.320 . 0 0 "[ . 1 . 2 . 3]" 1 75 1 11 LYS QG 1 17 TYR QE 5.700 . 5.700 2.966 2.784 3.712 . 0 0 "[ . 1 . 2 . 3]" 1 76 1 90 ARG HA 1 95 LYS HG3 5.700 . 5.700 4.280 3.768 5.125 . 0 0 "[ . 1 . 2 . 3]" 1 77 1 9 GLU HB3 1 10 LEU MD1 5.690 . 5.690 5.065 4.593 5.726 0.036 7 0 "[ . 1 . 2 . 3]" 1 78 1 10 LEU MD1 1 25 LEU MD2 5.700 . 5.700 3.895 3.450 4.764 . 0 0 "[ . 1 . 2 . 3]" 1 79 1 10 LEU MD1 1 47 HIS HD2 5.700 . 5.700 4.643 3.449 5.407 . 0 0 "[ . 1 . 2 . 3]" 1 80 1 10 LEU MD1 1 25 LEU HG 5.550 . 5.550 5.211 4.503 5.629 0.079 19 0 "[ . 1 . 2 . 3]" 1 81 1 10 LEU MD1 1 47 HIS HB2 5.700 . 5.700 4.223 3.389 5.036 . 0 0 "[ . 1 . 2 . 3]" 1 82 1 10 LEU MD1 1 47 HIS HB3 5.460 . 5.460 4.353 3.376 5.199 . 0 0 "[ . 1 . 2 . 3]" 1 83 1 10 LEU MD1 1 43 VAL MG1 5.700 . 5.700 2.985 2.483 3.453 . 0 0 "[ . 1 . 2 . 3]" 1 84 1 10 LEU MD1 1 17 TYR QE 5.700 . 5.700 5.393 5.055 5.711 0.011 13 0 "[ . 1 . 2 . 3]" 1 85 1 13 SER HA 1 15 SER QB 5.700 . 5.700 5.448 5.164 5.732 0.032 17 0 "[ . 1 . 2 . 3]" 1 86 1 12 ASN HA 1 13 SER HA 5.200 . 5.200 4.358 4.249 4.493 . 0 0 "[ . 1 . 2 . 3]" 1 87 1 12 ASN QB 1 13 SER HA 5.700 . 5.700 4.371 4.131 4.687 . 0 0 "[ . 1 . 2 . 3]" 1 88 1 13 SER HA 1 51 ILE MG 4.460 . 4.460 2.038 1.903 2.274 . 0 0 "[ . 1 . 2 . 3]" 1 89 1 13 SER HA 1 50 LYS QD 4.600 . 4.600 3.336 2.826 3.722 . 0 0 "[ . 1 . 2 . 3]" 1 90 1 9 GLU HA 1 10 LEU MD2 5.700 . 5.700 4.059 3.517 4.739 . 0 0 "[ . 1 . 2 . 3]" 1 91 1 9 GLU HA 1 9 GLU HG3 4.190 . 4.190 3.396 2.619 3.804 . 0 0 "[ . 1 . 2 . 3]" 1 92 1 84 LYS HG2 1 85 GLU HB2 5.700 . 5.700 4.261 3.681 4.938 . 0 0 "[ . 1 . 2 . 3]" 1 93 1 84 LYS HG2 1 85 GLU HB3 5.700 . 5.700 5.116 4.667 5.609 . 0 0 "[ . 1 . 2 . 3]" 1 94 1 50 LYS HG3 1 51 ILE MG 5.700 . 5.700 2.380 2.138 3.635 . 0 0 "[ . 1 . 2 . 3]" 1 95 1 10 LEU HG 1 11 LYS QG 5.700 . 5.700 5.045 4.624 5.477 . 0 0 "[ . 1 . 2 . 3]" 1 96 1 11 LYS QG 1 17 TYR QE 5.120 . 5.120 2.680 2.186 2.981 . 0 0 "[ . 1 . 2 . 3]" 1 97 1 22 PHE QD 1 83 VAL MG1 4.620 . 4.620 2.702 1.763 3.612 . 0 0 "[ . 1 . 2 . 3]" 1 98 1 83 VAL MG1 1 98 PHE HZ 5.700 . 5.700 4.132 2.290 5.160 . 0 0 "[ . 1 . 2 . 3]" 1 99 1 22 PHE HB2 1 83 VAL MG1 5.590 . 5.590 5.124 4.152 5.709 0.119 17 0 "[ . 1 . 2 . 3]" 1 100 1 11 LYS QG 1 21 GLU HB3 5.250 . 5.250 3.059 1.888 3.319 . 0 0 "[ . 1 . 2 . 3]" 1 101 1 26 LEU HB2 1 83 VAL MG1 4.870 . 4.870 3.534 2.786 4.096 . 0 0 "[ . 1 . 2 . 3]" 1 102 1 79 PRO HB2 1 83 VAL MG1 5.700 . 5.700 4.298 3.549 4.984 . 0 0 "[ . 1 . 2 . 3]" 1 103 1 11 LYS QG 1 16 ASP HB3 5.700 . 5.700 1.936 1.715 2.146 . 0 0 "[ . 1 . 2 . 3]" 1 104 1 26 LEU MD2 1 60 LEU MD1 5.700 . 5.700 5.203 4.514 5.709 0.009 27 0 "[ . 1 . 2 . 3]" 1 105 1 52 THR HB 1 60 LEU MD1 5.700 . 5.700 4.180 3.501 4.544 . 0 0 "[ . 1 . 2 . 3]" 1 106 1 56 ASP HB3 1 60 LEU MD1 5.700 . 5.700 4.762 3.976 5.317 . 0 0 "[ . 1 . 2 . 3]" 1 107 1 52 THR MG 1 60 LEU MD1 5.700 . 5.700 3.840 3.251 4.261 . 0 0 "[ . 1 . 2 . 3]" 1 108 1 13 SER HA 1 14 ILE MG 5.510 . 5.510 4.272 4.072 4.595 . 0 0 "[ . 1 . 2 . 3]" 1 109 1 100 GLN HA 1 101 GLY HA2 5.210 . 5.210 4.426 4.317 4.872 . 0 0 "[ . 1 . 2 . 3]" 1 110 1 99 LYS QE 1 100 GLN HA 5.700 . 5.700 4.786 4.230 5.413 . 0 0 "[ . 1 . 2 . 3]" 1 111 1 99 LYS HB3 1 100 GLN HA 5.140 . 5.140 3.715 3.457 4.044 . 0 0 "[ . 1 . 2 . 3]" 1 112 1 100 GLN HA 1 100 GLN HE22 5.700 . 5.700 4.276 2.817 5.717 0.017 20 0 "[ . 1 . 2 . 3]" 1 113 1 19 GLU HG3 1 100 GLN HA 5.700 . 5.700 5.704 5.267 5.794 0.094 22 0 "[ . 1 . 2 . 3]" 1 114 1 9 GLU HA 1 10 LEU HB2 5.700 . 5.700 4.694 4.377 4.943 . 0 0 "[ . 1 . 2 . 3]" 1 115 1 50 LYS HG2 1 51 ILE MG 5.700 . 5.700 2.461 2.165 2.719 . 0 0 "[ . 1 . 2 . 3]" 1 116 1 48 PHE QD 1 60 LEU MD1 5.700 . 5.700 5.110 4.384 5.464 . 0 0 "[ . 1 . 2 . 3]" 1 117 1 54 HIS HB2 1 60 LEU MD1 5.250 . 5.250 3.349 2.896 3.704 . 0 0 "[ . 1 . 2 . 3]" 1 118 1 60 LEU MD1 1 85 GLU QG 5.700 . 5.700 2.941 2.123 4.468 . 0 0 "[ . 1 . 2 . 3]" 1 119 1 54 HIS HB3 1 60 LEU MD1 5.420 . 5.420 2.455 2.123 2.899 . 0 0 "[ . 1 . 2 . 3]" 1 120 1 38 ASP HB2 1 39 ASP HA 5.640 . 5.640 4.974 4.224 5.592 . 0 0 "[ . 1 . 2 . 3]" 1 121 1 39 ASP HA 1 40 VAL MG1 5.700 . 5.700 5.418 5.081 5.878 0.178 24 0 "[ . 1 . 2 . 3]" 1 122 1 18 THR MG 1 100 GLN HA 5.560 . 5.560 3.677 2.994 5.254 . 0 0 "[ . 1 . 2 . 3]" 1 123 1 99 LYS QG 1 100 GLN HA 5.580 . 5.580 3.801 3.520 4.783 . 0 0 "[ . 1 . 2 . 3]" 1 124 1 99 LYS QG 1 100 GLN QG 5.700 . 5.700 5.134 3.092 5.669 . 0 0 "[ . 1 . 2 . 3]" 1 125 1 99 LYS QG 1 100 GLN HB2 5.700 . 5.700 4.644 3.176 5.440 . 0 0 "[ . 1 . 2 . 3]" 1 126 1 9 GLU HA 1 10 LEU HG 4.590 . 4.590 3.768 3.561 3.864 . 0 0 "[ . 1 . 2 . 3]" 1 127 1 99 LYS HA 1 99 LYS QG 3.570 . 3.570 3.224 2.014 3.359 . 0 0 "[ . 1 . 2 . 3]" 1 128 1 98 PHE HA 1 99 LYS QG 5.700 . 5.700 4.274 3.891 5.243 . 0 0 "[ . 1 . 2 . 3]" 1 129 1 19 GLU HG3 1 23 VAL MG1 5.700 . 5.700 4.193 3.377 4.727 . 0 0 "[ . 1 . 2 . 3]" 1 130 1 23 VAL MG1 1 83 VAL HB 4.800 . 4.800 3.175 2.766 4.040 . 0 0 "[ . 1 . 2 . 3]" 1 131 1 23 VAL MG1 1 26 LEU HB2 5.620 . 5.620 3.688 3.481 4.043 . 0 0 "[ . 1 . 2 . 3]" 1 132 1 23 VAL MG1 1 26 LEU HB3 5.320 . 5.320 4.895 4.356 5.328 0.008 6 0 "[ . 1 . 2 . 3]" 1 133 1 23 VAL MG1 1 83 VAL MG1 3.670 . 3.670 1.867 1.722 2.886 . 0 0 "[ . 1 . 2 . 3]" 1 134 1 23 VAL MG1 1 82 ILE MD 5.680 . 5.680 5.394 4.582 5.954 0.274 6 0 "[ . 1 . 2 . 3]" 1 135 1 23 VAL MG1 1 26 LEU MD2 5.700 . 5.700 4.514 3.269 5.596 . 0 0 "[ . 1 . 2 . 3]" 1 136 1 22 PHE QD 1 23 VAL MG1 5.700 . 5.700 3.765 3.394 4.683 . 0 0 "[ . 1 . 2 . 3]" 1 137 1 20 ALA HA 1 23 VAL MG1 4.460 . 4.460 2.568 2.045 2.892 . 0 0 "[ . 1 . 2 . 3]" 1 138 1 23 VAL MG1 1 24 GLN QG 5.700 . 5.700 2.355 1.916 4.599 . 0 0 "[ . 1 . 2 . 3]" 1 139 1 19 GLU HG2 1 23 VAL MG1 4.730 . 4.730 3.987 3.216 4.513 . 0 0 "[ . 1 . 2 . 3]" 1 140 1 19 GLU HA 1 23 VAL MG1 5.700 . 5.700 3.812 3.366 4.409 . 0 0 "[ . 1 . 2 . 3]" 1 141 1 11 LYS HA 1 12 ASN HD22 5.700 . 5.700 4.415 4.149 4.629 . 0 0 "[ . 1 . 2 . 3]" 1 142 1 11 LYS HA 1 11 LYS HE2 5.700 . 5.700 4.963 4.737 5.159 . 0 0 "[ . 1 . 2 . 3]" 1 143 1 11 LYS HA 1 11 LYS QG 4.000 . 4.000 3.256 2.643 3.368 . 0 0 "[ . 1 . 2 . 3]" 1 144 1 11 LYS HA 1 11 LYS HD3 5.330 . 5.330 2.837 2.599 3.198 . 0 0 "[ . 1 . 2 . 3]" 1 145 1 64 ALA HA 1 82 ILE MD 5.700 . 5.700 4.986 4.092 5.726 0.026 22 0 "[ . 1 . 2 . 3]" 1 146 1 54 HIS HA 1 89 TRP HZ3 5.700 . 5.700 3.721 3.340 4.213 . 0 0 "[ . 1 . 2 . 3]" 1 147 1 48 PHE QD 1 49 VAL MG1 5.700 . 5.700 3.712 3.407 3.897 . 0 0 "[ . 1 . 2 . 3]" 1 148 1 46 GLU HA 1 49 VAL MG1 4.900 . 4.900 2.015 1.913 2.162 . 0 0 "[ . 1 . 2 . 3]" 1 149 1 45 LEU HB3 1 49 VAL MG1 5.250 . 5.250 4.198 3.892 4.442 . 0 0 "[ . 1 . 2 . 3]" 1 150 1 49 VAL MG1 1 51 ILE HG12 3.990 . 3.990 3.767 3.019 4.071 0.081 5 0 "[ . 1 . 2 . 3]" 1 151 1 49 VAL MG1 1 51 ILE HG13 5.700 . 5.700 5.690 5.593 5.833 0.133 5 0 "[ . 1 . 2 . 3]" 1 152 1 12 ASN HA 1 51 ILE MG 5.690 . 5.690 3.776 3.117 4.648 . 0 0 "[ . 1 . 2 . 3]" 1 153 1 12 ASN HA 1 13 SER HA 5.700 . 5.700 4.410 4.294 4.558 . 0 0 "[ . 1 . 2 . 3]" 1 154 1 12 ASN HA 1 51 ILE MD 5.480 . 5.480 3.703 3.080 4.488 . 0 0 "[ . 1 . 2 . 3]" 1 155 1 59 ALA HA 1 62 TYR QD 5.360 . 5.360 3.044 1.881 4.039 . 0 0 "[ . 1 . 2 . 3]" 1 156 1 58 THR MG 1 59 ALA HA 4.820 . 4.820 4.231 3.925 4.559 . 0 0 "[ . 1 . 2 . 3]" 1 157 1 59 ALA HA 1 62 TYR HB2 5.120 . 5.120 2.301 1.982 2.546 . 0 0 "[ . 1 . 2 . 3]" 1 158 1 59 ALA HA 1 63 GLU HG2 5.160 . 5.160 4.248 2.975 5.197 0.037 9 0 "[ . 1 . 2 . 3]" 1 159 1 59 ALA HA 1 63 GLU HB3 5.700 . 5.700 5.193 4.675 5.881 0.181 20 0 "[ . 1 . 2 . 3]" 1 160 1 64 ALA HA 1 78 GLY HA2 5.700 . 5.700 4.638 2.846 5.728 0.028 18 0 "[ . 1 . 2 . 3]" 1 161 1 64 ALA HA 1 67 ARG HD2 5.030 . 5.030 4.201 2.782 5.035 0.005 7 0 "[ . 1 . 2 . 3]" 1 162 1 64 ALA HA 1 67 ARG HD3 5.300 . 5.300 2.966 2.084 4.928 . 0 0 "[ . 1 . 2 . 3]" 1 163 1 64 ALA HA 1 67 ARG QB 3.750 . 3.750 2.343 1.967 2.872 . 0 0 "[ . 1 . 2 . 3]" 1 164 1 60 LEU HA 1 64 ALA HA 5.440 . 5.440 5.036 4.794 5.352 . 0 0 "[ . 1 . 2 . 3]" 1 165 1 58 THR MG 1 62 TYR HA 5.700 . 5.700 5.590 5.015 5.810 0.110 12 0 "[ . 1 . 2 . 3]" 1 166 1 41 LEU HA 1 58 THR MG 5.700 . 5.700 5.903 5.809 5.998 0.298 8 0 "[ . 1 . 2 . 3]" 1 167 1 45 LEU MD1 1 58 THR MG 4.890 . 4.890 1.820 1.742 2.284 . 0 0 "[ . 1 . 2 . 3]" 1 168 1 58 THR MG 1 61 ILE MD 5.700 . 5.700 2.852 2.239 4.070 . 0 0 "[ . 1 . 2 . 3]" 1 169 1 58 THR MG 1 62 TYR QD 5.700 . 5.700 2.880 2.385 3.504 . 0 0 "[ . 1 . 2 . 3]" 1 170 1 45 LEU MD2 1 49 VAL MG1 5.700 . 5.700 5.033 4.722 5.342 . 0 0 "[ . 1 . 2 . 3]" 1 171 1 33 ASN QB 1 41 LEU MD2 5.670 . 5.670 2.658 1.991 3.957 . 0 0 "[ . 1 . 2 . 3]" 1 172 1 32 GLU HB2 1 41 LEU MD2 5.230 . 5.230 3.068 2.310 4.381 . 0 0 "[ . 1 . 2 . 3]" 1 173 1 59 ALA HA 1 62 TYR HB3 4.490 . 4.490 3.744 3.487 4.031 . 0 0 "[ . 1 . 2 . 3]" 1 174 1 59 ALA HA 1 62 TYR QE 5.700 . 5.700 5.120 4.131 5.744 0.044 3 0 "[ . 1 . 2 . 3]" 1 175 1 58 THR MG 1 59 ALA HA 5.700 . 5.700 4.774 4.281 5.482 . 0 0 "[ . 1 . 2 . 3]" 1 176 1 46 GLU HA 1 58 THR MG 5.700 . 5.700 4.483 3.808 4.873 . 0 0 "[ . 1 . 2 . 3]" 1 177 1 17 TYR QE 1 25 LEU MD2 5.690 . 5.690 3.375 2.366 4.403 . 0 0 "[ . 1 . 2 . 3]" 1 178 1 25 LEU MD2 1 47 HIS HD2 5.050 . 5.050 3.341 1.987 5.072 0.022 9 0 "[ . 1 . 2 . 3]" 1 179 1 24 GLN HB2 1 25 LEU MD2 5.700 . 5.700 4.242 2.452 5.504 . 0 0 "[ . 1 . 2 . 3]" 1 180 1 25 LEU MD2 1 29 ILE MD 4.430 . 4.430 2.348 1.853 2.885 . 0 0 "[ . 1 . 2 . 3]" 1 181 1 25 LEU MD2 1 44 LEU HA 5.680 . 5.680 4.053 2.794 5.217 . 0 0 "[ . 1 . 2 . 3]" 1 182 1 25 LEU MD2 1 26 LEU HA 5.700 . 5.700 4.532 4.141 5.294 . 0 0 "[ . 1 . 2 . 3]" 1 183 1 33 ASN HA 1 41 LEU MD2 5.700 . 5.700 2.305 1.884 2.948 . 0 0 "[ . 1 . 2 . 3]" 1 184 1 32 GLU HB3 1 41 LEU MD2 4.170 . 4.170 2.223 2.053 2.893 . 0 0 "[ . 1 . 2 . 3]" 1 185 1 25 LEU MD2 1 29 ILE HG13 4.570 . 4.570 2.446 2.168 2.880 . 0 0 "[ . 1 . 2 . 3]" 1 186 1 33 ASN HA 1 35 ALA MB 5.640 . 5.640 3.160 2.058 4.616 . 0 0 "[ . 1 . 2 . 3]" 1 187 1 33 ASN HA 1 36 ALA MB 5.700 . 5.700 4.327 3.812 4.903 . 0 0 "[ . 1 . 2 . 3]" 1 188 1 19 GLU QB 1 20 ALA HA 5.340 . 5.340 4.194 3.296 4.480 . 0 0 "[ . 1 . 2 . 3]" 1 189 1 19 GLU HG2 1 20 ALA HA 5.560 . 5.560 5.356 3.760 5.674 0.114 28 0 "[ . 1 . 2 . 3]" 1 190 1 17 TYR QE 1 25 LEU MD2 5.700 . 5.700 3.233 2.366 4.308 . 0 0 "[ . 1 . 2 . 3]" 1 191 1 16 ASP HA 1 99 LYS QE 5.020 . 5.020 4.031 3.106 4.617 . 0 0 "[ . 1 . 2 . 3]" 1 192 1 16 ASP HA 1 99 LYS HB2 5.700 . 5.700 4.554 3.229 5.163 . 0 0 "[ . 1 . 2 . 3]" 1 193 1 91 ALA HA 1 92 ALA MB 5.130 . 5.130 5.031 4.992 5.067 . 0 0 "[ . 1 . 2 . 3]" 1 194 1 91 ALA HA 1 94 GLY QA 5.500 . 5.500 3.704 3.234 4.341 . 0 0 "[ . 1 . 2 . 3]" 1 195 1 90 ARG HA 1 91 ALA HA 5.700 . 5.700 4.773 4.708 4.815 . 0 0 "[ . 1 . 2 . 3]" 1 196 1 90 ARG HB2 1 91 ALA HA 5.700 . 5.700 4.581 4.026 5.172 . 0 0 "[ . 1 . 2 . 3]" 1 197 1 20 ALA HA 1 23 VAL HB 4.200 . 4.200 4.353 4.269 4.416 0.216 29 0 "[ . 1 . 2 . 3]" 1 198 1 18 THR MG 1 20 ALA HA 5.700 . 5.700 4.913 4.620 5.149 . 0 0 "[ . 1 . 2 . 3]" 1 199 1 20 ALA HA 1 23 VAL MG2 5.110 . 5.110 2.042 1.782 4.057 . 0 0 "[ . 1 . 2 . 3]" 1 200 1 20 ALA HA 1 23 VAL HA 5.700 . 5.700 5.052 4.924 5.569 . 0 0 "[ . 1 . 2 . 3]" 1 201 1 19 GLU HG3 1 20 ALA HA 5.700 . 5.700 4.537 3.719 5.787 0.087 30 0 "[ . 1 . 2 . 3]" 1 202 1 48 PHE HZ 1 60 LEU MD2 5.700 . 5.700 4.876 4.187 5.239 . 0 0 "[ . 1 . 2 . 3]" 1 203 1 54 HIS HB2 1 60 LEU MD2 5.700 . 5.700 3.406 2.797 4.763 . 0 0 "[ . 1 . 2 . 3]" 1 204 1 52 THR MG 1 60 LEU MD2 5.700 . 5.700 5.358 4.620 5.634 . 0 0 "[ . 1 . 2 . 3]" 1 205 1 57 GLY HA3 1 60 LEU MD2 5.700 . 5.700 5.616 5.432 5.750 0.050 11 0 "[ . 1 . 2 . 3]" 1 206 1 16 ASP HA 1 99 LYS QD 5.070 . 5.070 2.123 1.846 2.898 . 0 0 "[ . 1 . 2 . 3]" 1 207 1 16 ASP HA 1 99 LYS HB3 4.250 . 4.250 3.224 2.879 3.985 . 0 0 "[ . 1 . 2 . 3]" 1 208 1 16 ASP HA 1 18 THR MG 5.700 . 5.700 4.951 4.655 5.445 . 0 0 "[ . 1 . 2 . 3]" 1 209 1 56 ASP HA 1 60 LEU MD2 5.700 . 5.700 5.467 4.970 5.721 0.021 20 0 "[ . 1 . 2 . 3]" 1 210 1 34 VAL QG 1 65 ALA HA 5.700 . 5.700 4.331 3.632 5.050 . 0 0 "[ . 1 . 2 . 3]" 1 211 1 54 HIS HD2 1 60 LEU MD2 5.700 . 5.700 5.194 4.557 5.717 0.017 8 0 "[ . 1 . 2 . 3]" 1 212 1 60 LEU MD2 1 85 GLU QG 5.150 . 5.150 2.498 1.972 4.040 . 0 0 "[ . 1 . 2 . 3]" 1 213 1 60 LEU MD2 1 82 ILE MG 5.700 . 5.700 3.297 2.294 4.040 . 0 0 "[ . 1 . 2 . 3]" 1 214 1 60 LEU MD2 1 86 ILE MD 5.700 . 5.700 4.087 3.698 4.188 . 0 0 "[ . 1 . 2 . 3]" 1 215 1 56 ASP HB3 1 60 LEU MD2 5.700 . 5.700 3.615 2.771 4.057 . 0 0 "[ . 1 . 2 . 3]" 1 216 1 60 LEU MD2 1 85 GLU HB2 5.560 . 5.560 3.891 3.413 4.458 . 0 0 "[ . 1 . 2 . 3]" 1 217 1 60 LEU MD2 1 85 GLU HB3 5.380 . 5.380 3.237 2.796 3.689 . 0 0 "[ . 1 . 2 . 3]" 1 218 1 38 ASP HA 1 41 LEU MD2 5.700 . 5.700 4.813 4.387 5.161 . 0 0 "[ . 1 . 2 . 3]" 1 219 1 65 ALA HA 1 67 ARG HG3 5.470 . 5.470 5.252 5.088 5.476 0.006 20 0 "[ . 1 . 2 . 3]" 1 220 1 34 VAL MG1 1 65 ALA HA 5.700 . 5.700 4.586 3.690 5.706 0.006 11 0 "[ . 1 . 2 . 3]" 1 221 1 26 LEU MD2 1 60 LEU HA 5.700 . 5.700 4.687 3.643 5.689 . 0 0 "[ . 1 . 2 . 3]" 1 222 1 22 PHE HB2 1 26 LEU MD2 5.700 . 5.700 4.616 4.088 5.295 . 0 0 "[ . 1 . 2 . 3]" 1 223 1 26 LEU MD2 1 79 PRO HB3 5.700 . 5.700 4.529 2.901 5.450 . 0 0 "[ . 1 . 2 . 3]" 1 224 1 26 LEU MD2 1 60 LEU HB3 5.700 . 5.700 5.170 4.654 5.800 0.100 18 0 "[ . 1 . 2 . 3]" 1 225 1 11 LYS HE3 1 16 ASP HA 5.680 . 5.680 4.405 3.954 5.399 . 0 0 "[ . 1 . 2 . 3]" 1 226 1 56 ASP HA 1 59 ALA MB 5.340 . 5.340 3.106 2.695 3.558 . 0 0 "[ . 1 . 2 . 3]" 1 227 1 22 PHE QE 1 26 LEU MD2 4.760 . 4.760 2.544 2.067 3.259 . 0 0 "[ . 1 . 2 . 3]" 1 228 1 26 LEU MD2 1 48 PHE HB2 5.700 . 5.700 3.338 2.588 3.664 . 0 0 "[ . 1 . 2 . 3]" 1 229 1 26 LEU MD2 1 29 ILE HB 5.270 . 5.270 4.323 3.608 5.418 0.148 24 0 "[ . 1 . 2 . 3]" 1 230 1 26 LEU MD2 1 83 VAL MG1 5.700 . 5.700 3.370 1.838 4.492 . 0 0 "[ . 1 . 2 . 3]" 1 231 1 26 LEU MD2 1 61 ILE HG12 4.600 . 4.600 2.162 1.782 3.581 . 0 0 "[ . 1 . 2 . 3]" 1 232 1 26 LEU MD2 1 61 ILE HG13 4.870 . 4.870 4.233 3.453 4.860 . 0 0 "[ . 1 . 2 . 3]" 1 233 1 26 LEU MD2 1 61 ILE MG 5.700 . 5.700 4.822 4.212 5.710 0.010 16 0 "[ . 1 . 2 . 3]" 1 234 1 26 LEU MD2 1 61 ILE MD 4.950 . 4.950 3.902 2.529 4.970 0.020 25 0 "[ . 1 . 2 . 3]" 1 235 1 26 LEU MD2 1 48 PHE QE 4.650 . 4.650 2.283 2.041 2.844 . 0 0 "[ . 1 . 2 . 3]" 1 236 1 63 GLU HA 1 66 ALA HA 5.700 . 5.700 5.384 5.069 5.757 0.057 8 0 "[ . 1 . 2 . 3]" 1 237 1 44 LEU HB3 1 45 LEU MD2 5.700 . 5.700 3.907 3.701 4.184 . 0 0 "[ . 1 . 2 . 3]" 1 238 1 55 PRO HB3 1 56 ASP HA 4.830 . 4.830 4.972 4.936 5.024 0.194 21 0 "[ . 1 . 2 . 3]" 1 239 1 55 PRO HG2 1 56 ASP HA 5.700 . 5.700 5.813 5.788 5.836 0.136 16 0 "[ . 1 . 2 . 3]" 1 240 1 38 ASP HA 1 41 LEU HA 5.700 . 5.700 5.281 4.977 5.718 0.018 7 0 "[ . 1 . 2 . 3]" 1 241 1 38 ASP HA 1 41 LEU HB2 4.270 . 4.270 3.499 3.325 3.733 . 0 0 "[ . 1 . 2 . 3]" 1 242 1 38 ASP HA 1 41 LEU HB3 4.550 . 4.550 2.306 1.988 2.754 . 0 0 "[ . 1 . 2 . 3]" 1 243 1 38 ASP HA 1 41 LEU MD1 5.700 . 5.700 2.808 2.118 3.500 . 0 0 "[ . 1 . 2 . 3]" 1 244 1 10 LEU HA 1 11 LYS HA 5.460 . 5.460 4.366 4.307 4.424 . 0 0 "[ . 1 . 2 . 3]" 1 245 1 10 LEU HA 1 11 LYS HD3 5.700 . 5.700 3.510 3.106 3.651 . 0 0 "[ . 1 . 2 . 3]" 1 246 1 10 LEU HA 1 10 LEU MD2 3.850 . 3.850 2.005 1.885 2.128 . 0 0 "[ . 1 . 2 . 3]" 1 247 1 42 ASP HA 1 45 LEU MD2 5.230 . 5.230 3.943 3.321 4.206 . 0 0 "[ . 1 . 2 . 3]" 1 248 1 45 LEU MD2 1 48 PHE HB2 5.700 . 5.700 4.091 3.931 4.287 . 0 0 "[ . 1 . 2 . 3]" 1 249 1 41 LEU HB3 1 45 LEU MD2 5.700 . 5.700 4.617 4.068 5.305 . 0 0 "[ . 1 . 2 . 3]" 1 250 1 45 LEU MD2 1 61 ILE HG13 5.700 . 5.700 3.986 2.378 4.395 . 0 0 "[ . 1 . 2 . 3]" 1 251 1 45 LEU MD2 1 62 TYR QE 5.320 . 5.320 3.542 2.532 4.428 . 0 0 "[ . 1 . 2 . 3]" 1 252 1 45 LEU MD2 1 58 THR HA 5.700 . 5.700 3.314 2.872 3.852 . 0 0 "[ . 1 . 2 . 3]" 1 253 1 44 LEU HG 1 45 LEU MD2 5.700 . 5.700 4.157 3.847 4.835 . 0 0 "[ . 1 . 2 . 3]" 1 254 1 45 LEU MD2 1 58 THR MG 4.470 . 4.470 1.887 1.804 2.144 . 0 0 "[ . 1 . 2 . 3]" 1 255 1 41 LEU MD2 1 45 LEU MD2 4.620 . 4.620 2.121 1.893 2.816 . 0 0 "[ . 1 . 2 . 3]" 1 256 1 29 ILE MG 1 45 LEU MD2 3.720 . 3.720 2.037 1.883 2.578 . 0 0 "[ . 1 . 2 . 3]" 1 257 1 29 ILE MD 1 45 LEU MD2 5.700 . 5.700 3.026 2.496 3.333 . 0 0 "[ . 1 . 2 . 3]" 1 258 1 45 LEU MD2 1 61 ILE MG 5.550 . 5.550 2.610 1.924 3.371 . 0 0 "[ . 1 . 2 . 3]" 1 259 1 45 LEU MD2 1 61 ILE MD 4.790 . 4.790 2.205 1.804 3.681 . 0 0 "[ . 1 . 2 . 3]" 1 260 1 38 ASP HA 1 39 ASP QB 4.390 . 4.390 3.854 3.384 4.330 . 0 0 "[ . 1 . 2 . 3]" 1 261 1 45 LEU MD2 1 57 GLY HA2 5.700 . 5.700 4.789 4.670 5.030 . 0 0 "[ . 1 . 2 . 3]" 1 262 1 29 ILE HA 1 45 LEU MD2 5.700 . 5.700 4.354 3.993 4.844 . 0 0 "[ . 1 . 2 . 3]" 1 263 1 74 GLY HA2 1 75 ASP HA 5.540 . 5.540 4.550 4.283 4.868 . 0 0 "[ . 1 . 2 . 3]" 1 264 1 73 GLY QA 1 75 ASP HA 5.450 . 5.450 3.849 2.390 4.174 . 0 0 "[ . 1 . 2 . 3]" 1 265 1 74 GLY HA3 1 75 ASP HA 5.510 . 5.510 3.981 2.139 4.480 . 0 0 "[ . 1 . 2 . 3]" 1 266 1 68 ALA HA 1 77 GLY HA3 4.990 . 4.990 3.214 2.305 4.401 . 0 0 "[ . 1 . 2 . 3]" 1 267 1 48 PHE QE 1 52 THR MG 5.700 . 5.700 3.097 2.742 3.494 . 0 0 "[ . 1 . 2 . 3]" 1 268 1 22 PHE QE 1 52 THR MG 4.440 . 4.440 2.772 2.419 3.436 . 0 0 "[ . 1 . 2 . 3]" 1 269 1 48 PHE HA 1 52 THR MG 5.170 . 5.170 3.626 3.295 4.080 . 0 0 "[ . 1 . 2 . 3]" 1 270 1 51 ILE HB 1 52 THR MG 5.660 . 5.660 3.646 3.225 4.276 . 0 0 "[ . 1 . 2 . 3]" 1 271 1 52 THR MG 1 86 ILE HG13 5.600 . 5.600 2.923 2.202 4.623 . 0 0 "[ . 1 . 2 . 3]" 1 272 1 51 ILE HG13 1 52 THR MG 4.380 . 4.380 1.926 1.796 2.020 . 0 0 "[ . 1 . 2 . 3]" 1 273 1 14 ILE MD 1 52 THR MG 5.370 . 5.370 2.668 1.974 4.410 . 0 0 "[ . 1 . 2 . 3]" 1 274 1 68 ALA HA 1 71 ASN HB2 5.290 . 5.290 3.368 2.075 5.296 0.006 13 0 "[ . 1 . 2 . 3]" 1 275 1 68 ALA HA 1 71 ASN HB3 4.900 . 4.900 4.387 2.100 4.976 0.076 13 0 "[ . 1 . 2 . 3]" 1 276 1 67 ARG QB 1 68 ALA HA 5.460 . 5.460 3.973 3.826 4.116 . 0 0 "[ . 1 . 2 . 3]" 1 277 1 92 ALA HA 1 94 GLY QA 5.700 . 5.700 4.994 4.693 5.473 . 0 0 "[ . 1 . 2 . 3]" 1 278 1 48 PHE HB2 1 52 THR MG 5.700 . 5.700 4.456 4.054 4.953 . 0 0 "[ . 1 . 2 . 3]" 1 279 1 52 THR MG 1 86 ILE HB 5.700 . 5.700 4.236 3.700 5.344 . 0 0 "[ . 1 . 2 . 3]" 1 280 1 14 ILE MG 1 52 THR MG 5.700 . 5.700 3.831 3.415 4.124 . 0 0 "[ . 1 . 2 . 3]" 1 281 1 91 ALA MB 1 92 ALA HA 4.770 . 4.770 3.846 3.796 3.893 . 0 0 "[ . 1 . 2 . 3]" 1 282 1 42 ASP HA 1 43 VAL MG1 5.700 . 5.700 5.914 5.842 5.959 0.259 15 0 "[ . 1 . 2 . 3]" 1 283 1 43 VAL MG1 1 44 LEU HA 5.700 . 5.700 2.970 2.790 3.154 . 0 0 "[ . 1 . 2 . 3]" 1 284 1 40 VAL HA 1 43 VAL MG1 3.550 . 3.550 2.265 2.175 2.331 . 0 0 "[ . 1 . 2 . 3]" 1 285 1 40 VAL MG2 1 43 VAL MG1 5.340 . 5.340 3.627 3.274 4.191 . 0 0 "[ . 1 . 2 . 3]" 1 286 1 10 LEU MD1 1 43 VAL MG1 5.700 . 5.700 2.430 2.166 2.631 . 0 0 "[ . 1 . 2 . 3]" 1 287 1 10 LEU MD2 1 47 HIS HD2 5.640 . 5.640 3.526 2.459 4.797 . 0 0 "[ . 1 . 2 . 3]" 1 288 1 9 GLU HA 1 10 LEU MD2 5.700 . 5.700 3.452 2.498 4.246 . 0 0 "[ . 1 . 2 . 3]" 1 289 1 10 LEU MD2 1 25 LEU MD2 5.500 . 5.500 2.371 1.774 3.494 . 0 0 "[ . 1 . 2 . 3]" 1 290 1 10 LEU MD2 1 11 LYS HD3 4.910 . 4.910 4.966 4.674 5.066 0.156 9 0 "[ . 1 . 2 . 3]" 1 291 1 10 LEU MD2 1 11 LYS HA 5.700 . 5.700 5.152 4.586 5.527 . 0 0 "[ . 1 . 2 . 3]" 1 292 1 18 THR MG 1 21 GLU HA 5.700 . 5.700 5.370 4.916 5.713 0.013 18 0 "[ . 1 . 2 . 3]" 1 293 1 40 VAL HB 1 43 VAL MG1 5.700 . 5.700 5.162 4.862 5.516 . 0 0 "[ . 1 . 2 . 3]" 1 294 1 69 ALA HA 1 70 ALA HA 5.190 . 5.190 4.561 4.432 4.731 . 0 0 "[ . 1 . 2 . 3]" 1 295 1 18 THR MG 1 99 LYS HB2 5.310 . 5.310 4.038 2.725 4.453 . 0 0 "[ . 1 . 2 . 3]" 1 296 1 18 THR MG 1 99 LYS QD 4.380 . 4.380 2.670 2.129 3.586 . 0 0 "[ . 1 . 2 . 3]" 1 297 1 18 THR MG 1 99 LYS QG 3.930 . 3.930 2.034 1.871 3.540 . 0 0 "[ . 1 . 2 . 3]" 1 298 1 37 THR HB 1 40 VAL MG1 5.700 . 5.700 3.587 2.171 5.716 0.016 5 0 "[ . 1 . 2 . 3]" 1 299 1 39 ASP QB 1 40 VAL MG1 5.470 . 5.470 4.215 3.364 5.046 . 0 0 "[ . 1 . 2 . 3]" 1 300 1 32 GLU HB2 1 40 VAL MG1 5.700 . 5.700 2.925 2.405 3.625 . 0 0 "[ . 1 . 2 . 3]" 1 301 1 32 GLU HG3 1 40 VAL MG1 5.700 . 5.700 2.640 1.706 3.776 . 0 0 "[ . 1 . 2 . 3]" 1 302 1 40 VAL MG1 1 41 LEU HB2 5.700 . 5.700 2.795 2.000 3.235 . 0 0 "[ . 1 . 2 . 3]" 1 303 1 40 VAL MG1 1 43 VAL MG1 5.340 . 5.340 4.913 3.543 5.434 0.094 17 0 "[ . 1 . 2 . 3]" 1 304 1 40 VAL MG1 1 44 LEU MD1 4.970 . 4.970 2.664 1.967 3.436 . 0 0 "[ . 1 . 2 . 3]" 1 305 1 40 VAL MG1 1 44 LEU MD2 5.700 . 5.700 3.703 2.409 4.593 . 0 0 "[ . 1 . 2 . 3]" 1 306 1 18 THR MG 1 83 VAL MG2 5.700 . 5.700 5.170 5.084 5.271 . 0 0 "[ . 1 . 2 . 3]" 1 307 1 19 GLU HG2 1 83 VAL MG2 5.060 . 5.060 3.802 2.152 4.163 . 0 0 "[ . 1 . 2 . 3]" 1 308 1 20 ALA MB 1 83 VAL MG2 5.700 . 5.700 5.626 5.220 5.886 0.186 5 0 "[ . 1 . 2 . 3]" 1 309 1 52 THR MG 1 83 VAL MG2 5.380 . 5.380 4.629 3.867 5.362 . 0 0 "[ . 1 . 2 . 3]" 1 310 1 22 PHE QE 1 83 VAL MG2 5.700 . 5.700 4.253 3.359 5.659 . 0 0 "[ . 1 . 2 . 3]" 1 311 1 83 VAL MG2 1 98 PHE QE 4.820 . 4.820 3.199 2.323 4.542 . 0 0 "[ . 1 . 2 . 3]" 1 312 1 83 VAL MG2 1 98 PHE HZ 5.510 . 5.510 3.419 2.120 4.810 . 0 0 "[ . 1 . 2 . 3]" 1 313 1 80 GLU HA 1 83 VAL MG2 5.700 . 5.700 3.220 1.833 4.492 . 0 0 "[ . 1 . 2 . 3]" 1 314 1 83 VAL MG2 1 84 LYS QE 5.140 . 5.140 3.878 2.447 4.920 . 0 0 "[ . 1 . 2 . 3]" 1 315 1 83 VAL MG2 1 87 LYS QB 4.900 . 4.900 4.000 3.035 4.945 0.045 20 0 "[ . 1 . 2 . 3]" 1 316 1 19 GLU QB 1 83 VAL MG2 4.180 . 4.180 2.913 2.087 3.648 . 0 0 "[ . 1 . 2 . 3]" 1 317 1 19 GLU HG3 1 83 VAL MG2 4.820 . 4.820 4.111 3.032 4.485 . 0 0 "[ . 1 . 2 . 3]" 1 318 1 32 GLU HB3 1 40 VAL MG1 5.700 . 5.700 3.160 2.497 3.980 . 0 0 "[ . 1 . 2 . 3]" 1 319 1 35 ALA MB 1 36 ALA HA 5.080 . 5.080 3.212 2.132 3.658 . 0 0 "[ . 1 . 2 . 3]" 1 320 1 36 ALA HA 1 41 LEU MD1 5.700 . 5.700 4.434 3.719 5.316 . 0 0 "[ . 1 . 2 . 3]" 1 321 1 35 ALA MB 1 37 THR MG 5.230 . 5.230 2.496 2.046 2.933 . 0 0 "[ . 1 . 2 . 3]" 1 322 1 36 ALA HA 1 37 THR MG 5.400 . 5.400 4.002 3.700 4.414 . 0 0 "[ . 1 . 2 . 3]" 1 323 1 18 THR MG 1 21 GLU HA 5.700 . 5.700 4.490 4.067 4.631 . 0 0 "[ . 1 . 2 . 3]" 1 324 1 37 THR MG 1 41 LEU HB3 5.660 . 5.660 4.319 4.127 4.438 . 0 0 "[ . 1 . 2 . 3]" 1 325 1 37 THR MG 1 41 LEU MD1 5.380 . 5.380 5.477 5.399 5.527 0.147 1 0 "[ . 1 . 2 . 3]" 1 326 1 37 THR MG 1 41 LEU MD2 5.330 . 5.330 4.572 3.864 4.904 . 0 0 "[ . 1 . 2 . 3]" 1 327 1 37 THR MG 1 40 VAL MG1 5.220 . 5.220 3.236 2.326 4.505 . 0 0 "[ . 1 . 2 . 3]" 1 328 1 37 THR MG 1 40 VAL MG1 5.300 . 5.300 3.474 2.334 5.319 0.019 5 0 "[ . 1 . 2 . 3]" 1 329 1 37 THR MG 1 40 VAL HA 5.700 . 5.700 5.066 4.646 5.451 . 0 0 "[ . 1 . 2 . 3]" 1 330 1 19 GLU HA 1 23 VAL MG2 5.700 . 5.700 3.625 2.478 4.658 . 0 0 "[ . 1 . 2 . 3]" 1 331 1 23 VAL MG2 1 26 LEU HB3 5.700 . 5.700 5.348 3.096 5.766 0.066 9 0 "[ . 1 . 2 . 3]" 1 332 1 44 LEU MD2 1 47 HIS HD2 5.700 . 5.700 4.876 4.178 5.663 . 0 0 "[ . 1 . 2 . 3]" 1 333 1 25 LEU MD2 1 44 LEU MD2 4.860 . 4.860 2.762 1.856 3.575 . 0 0 "[ . 1 . 2 . 3]" 1 334 1 95 LYS HA 1 96 PRO HG2 5.260 . 5.260 4.452 4.205 4.686 . 0 0 "[ . 1 . 2 . 3]" 1 335 1 95 LYS HA 1 95 LYS HD3 5.000 . 5.000 4.471 4.343 5.006 0.006 15 0 "[ . 1 . 2 . 3]" 1 336 1 95 LYS HA 1 96 PRO HD2 3.780 . 3.780 2.415 2.039 3.172 . 0 0 "[ . 1 . 2 . 3]" 1 337 1 95 LYS HA 1 96 PRO HD3 3.940 . 3.940 2.370 2.009 2.655 . 0 0 "[ . 1 . 2 . 3]" 1 338 1 95 LYS HA 1 96 PRO HG3 5.210 . 5.210 4.421 4.070 4.618 . 0 0 "[ . 1 . 2 . 3]" 1 339 1 90 ARG HB3 1 95 LYS HA 4.610 . 4.610 4.420 3.907 4.603 . 0 0 "[ . 1 . 2 . 3]" 1 340 1 37 THR MG 1 40 VAL MG2 5.700 . 5.700 5.034 4.416 5.718 0.018 19 0 "[ . 1 . 2 . 3]" 1 341 1 34 VAL MG2 1 37 THR MG 5.330 . 5.330 4.822 4.580 5.153 . 0 0 "[ . 1 . 2 . 3]" 1 342 1 45 LEU MD2 1 49 VAL MG2 5.700 . 5.700 4.323 2.918 4.961 . 0 0 "[ . 1 . 2 . 3]" 1 343 1 31 LYS HG3 1 34 VAL MG1 5.700 . 5.700 3.081 2.174 3.820 . 0 0 "[ . 1 . 2 . 3]" 1 344 1 20 ALA HA 1 23 VAL MG2 5.060 . 5.060 2.082 1.782 4.642 . 0 0 "[ . 1 . 2 . 3]" 1 345 1 23 VAL MG2 1 80 GLU HA 5.700 . 5.700 4.052 1.992 4.455 . 0 0 "[ . 1 . 2 . 3]" 1 346 1 23 VAL MG2 1 27 LYS QE 4.250 . 4.250 2.709 2.102 4.321 0.071 4 0 "[ . 1 . 2 . 3]" 1 347 1 23 VAL MG2 1 24 GLN QG 5.360 . 5.360 2.574 2.158 3.671 . 0 0 "[ . 1 . 2 . 3]" 1 348 1 23 VAL MG2 1 26 LEU HB2 4.640 . 4.640 3.807 2.604 4.344 . 0 0 "[ . 1 . 2 . 3]" 1 349 1 23 VAL MG2 1 79 PRO HB2 4.200 . 4.200 3.923 2.154 4.225 0.025 10 0 "[ . 1 . 2 . 3]" 1 350 1 23 VAL MG2 1 27 LYS QD 4.460 . 4.460 3.320 2.426 3.765 . 0 0 "[ . 1 . 2 . 3]" 1 351 1 23 VAL MG2 1 27 LYS HG3 5.700 . 5.700 3.228 2.285 3.624 . 0 0 "[ . 1 . 2 . 3]" 1 352 1 83 VAL MG2 1 86 ILE MG 5.570 . 5.570 4.790 3.888 5.606 0.036 7 0 "[ . 1 . 2 . 3]" 1 353 1 23 VAL MG2 1 26 LEU MD2 5.700 . 5.700 5.447 4.454 5.907 0.207 13 0 "[ . 1 . 2 . 3]" 1 354 1 25 LEU HA 1 44 LEU MD2 5.700 . 5.700 4.394 3.913 5.048 . 0 0 "[ . 1 . 2 . 3]" 1 355 1 40 VAL HA 1 44 LEU MD2 5.700 . 5.700 4.019 3.796 4.292 . 0 0 "[ . 1 . 2 . 3]" 1 356 1 49 VAL MG2 1 53 GLU QB 5.700 . 5.700 4.796 4.522 5.166 . 0 0 "[ . 1 . 2 . 3]" 1 357 1 49 VAL MG2 1 50 LYS HG3 5.440 . 5.440 4.739 3.978 4.992 . 0 0 "[ . 1 . 2 . 3]" 1 358 1 33 ASN QB 1 34 VAL MG1 5.210 . 5.210 3.235 2.801 5.217 0.007 11 0 "[ . 1 . 2 . 3]" 1 359 1 34 VAL MG1 1 35 ALA HA 5.700 . 5.700 5.399 3.582 5.572 . 0 0 "[ . 1 . 2 . 3]" 1 360 1 31 LYS HA 1 34 VAL MG1 5.360 . 5.360 4.218 3.683 4.871 . 0 0 "[ . 1 . 2 . 3]" 1 361 1 32 GLU HG2 1 40 VAL MG2 5.460 . 5.460 3.815 2.442 5.483 0.023 5 0 "[ . 1 . 2 . 3]" 1 362 1 40 VAL MG2 1 43 VAL HB 5.250 . 5.250 3.177 2.806 3.856 . 0 0 "[ . 1 . 2 . 3]" 1 363 1 28 GLU HB3 1 40 VAL MG2 4.880 . 4.880 3.994 3.297 4.597 . 0 0 "[ . 1 . 2 . 3]" 1 364 1 32 GLU HB3 1 40 VAL MG2 5.410 . 5.410 4.878 3.998 5.452 0.042 30 0 "[ . 1 . 2 . 3]" 1 365 1 40 VAL MG2 1 44 LEU HG 4.710 . 4.710 2.724 1.924 4.298 . 0 0 "[ . 1 . 2 . 3]" 1 366 1 40 VAL MG2 1 44 LEU MD2 5.240 . 5.240 2.854 2.064 4.311 . 0 0 "[ . 1 . 2 . 3]" 1 367 1 23 VAL MG2 1 83 VAL MG1 5.250 . 5.250 3.954 2.207 4.178 . 0 0 "[ . 1 . 2 . 3]" 1 368 1 40 VAL MG2 1 44 LEU MD1 4.050 . 4.050 2.771 2.022 4.171 0.121 24 0 "[ . 1 . 2 . 3]" 1 369 1 70 ALA HA 1 71 ASN HA 5.630 . 5.630 4.863 4.370 5.334 . 0 0 "[ . 1 . 2 . 3]" 1 370 1 68 ALA HA 1 70 ALA HA 5.010 . 5.010 4.438 4.294 4.609 . 0 0 "[ . 1 . 2 . 3]" 1 371 1 70 ALA HA 1 72 PRO QD 5.390 . 5.390 5.186 4.609 5.420 0.030 18 0 "[ . 1 . 2 . 3]" 1 372 1 43 VAL MG2 1 44 LEU HG 5.700 . 5.700 3.993 3.794 4.114 . 0 0 "[ . 1 . 2 . 3]" 1 373 1 40 VAL MG2 1 43 VAL MG2 3.510 . 3.510 2.922 2.703 3.342 . 0 0 "[ . 1 . 2 . 3]" 1 374 1 43 VAL MG2 1 44 LEU MD1 5.060 . 5.060 4.804 4.632 4.941 . 0 0 "[ . 1 . 2 . 3]" 1 375 1 10 LEU MD1 1 43 VAL MG2 4.460 . 4.460 4.525 4.205 4.649 0.189 29 0 "[ . 1 . 2 . 3]" 1 376 1 43 VAL MG2 1 44 LEU HA 5.700 . 5.700 4.886 4.823 4.960 . 0 0 "[ . 1 . 2 . 3]" 1 377 1 43 VAL MG2 1 47 HIS HB2 5.530 . 5.530 5.052 4.884 5.276 . 0 0 "[ . 1 . 2 . 3]" 1 378 1 34 VAL HA 1 35 ALA HA 5.060 . 5.060 4.619 4.473 4.760 . 0 0 "[ . 1 . 2 . 3]" 1 379 1 35 ALA HA 1 36 ALA MB 4.970 . 4.970 4.159 4.078 4.270 . 0 0 "[ . 1 . 2 . 3]" 1 380 1 34 VAL QG 1 35 ALA HA 5.390 . 5.390 3.561 3.345 3.750 . 0 0 "[ . 1 . 2 . 3]" 1 381 1 43 VAL MG2 1 44 LEU HB3 5.700 . 5.700 5.968 5.882 6.034 0.334 7 0 "[ . 1 . 2 . 3]" 1 382 1 40 VAL HB 1 43 VAL MG2 5.700 . 5.700 4.034 3.561 4.464 . 0 0 "[ . 1 . 2 . 3]" 1 383 1 43 VAL MG2 1 44 LEU HB2 5.500 . 5.500 5.489 5.365 5.555 0.055 18 0 "[ . 1 . 2 . 3]" 1 384 1 35 ALA HA 1 37 THR MG 5.700 . 5.700 4.781 4.292 5.340 . 0 0 "[ . 1 . 2 . 3]" 1 385 1 33 ASN QB 1 34 VAL MG2 5.700 . 5.700 3.930 3.051 4.333 . 0 0 "[ . 1 . 2 . 3]" 1 386 1 31 LYS QB 1 34 VAL MG2 5.700 . 5.700 4.250 3.357 5.200 . 0 0 "[ . 1 . 2 . 3]" 1 387 1 31 LYS HG2 1 34 VAL MG2 5.700 . 5.700 3.147 2.875 4.854 . 0 0 "[ . 1 . 2 . 3]" 1 388 1 34 VAL MG2 1 36 ALA MB 5.700 . 5.700 4.522 2.267 5.132 . 0 0 "[ . 1 . 2 . 3]" 1 389 1 35 ALA MB 1 37 THR HA 5.700 . 5.700 4.644 4.158 5.181 . 0 0 "[ . 1 . 2 . 3]" 1 390 1 31 LYS QD 1 35 ALA MB 5.500 . 5.500 4.778 3.522 5.602 0.102 13 0 "[ . 1 . 2 . 3]" 1 391 1 34 VAL QG 1 35 ALA MB 5.700 . 5.700 3.091 2.873 3.861 . 0 0 "[ . 1 . 2 . 3]" 1 392 1 71 ASN HA 1 72 PRO QD 3.180 . 3.180 1.975 1.808 2.282 . 0 0 "[ . 1 . 2 . 3]" 1 393 1 71 ASN HA 1 72 PRO QG 5.340 . 5.340 3.872 3.660 4.149 . 0 0 "[ . 1 . 2 . 3]" 1 394 1 68 ALA MB 1 71 ASN HA 5.700 . 5.700 3.961 3.642 4.335 . 0 0 "[ . 1 . 2 . 3]" 1 395 1 34 VAL HA 1 36 ALA MB 5.700 . 5.700 4.125 3.829 4.386 . 0 0 "[ . 1 . 2 . 3]" 1 396 1 67 ARG HA 1 70 ALA MB 4.550 . 4.550 3.701 2.741 4.556 0.006 10 0 "[ . 1 . 2 . 3]" 1 397 1 70 ALA MB 1 71 ASN HB3 5.690 . 5.690 5.161 4.663 5.834 0.144 4 0 "[ . 1 . 2 . 3]" 1 398 1 68 ALA HA 1 72 PRO QD 5.700 . 5.700 4.206 3.250 5.238 . 0 0 "[ . 1 . 2 . 3]" 1 399 1 70 ALA MB 1 71 ASN HA 5.700 . 5.700 4.181 3.689 4.514 . 0 0 "[ . 1 . 2 . 3]" 1 400 1 34 VAL QG 1 36 ALA MB 5.700 . 5.700 4.336 3.515 4.591 . 0 0 "[ . 1 . 2 . 3]" 1 401 1 70 ALA MB 1 72 PRO QD 5.700 . 5.700 3.657 2.658 4.411 . 0 0 "[ . 1 . 2 . 3]" 1 402 1 71 ASN HB2 1 72 PRO QD 5.220 . 5.220 3.941 2.784 4.503 . 0 0 "[ . 1 . 2 . 3]" 1 403 1 35 ALA HA 1 36 ALA MB 5.490 . 5.490 4.089 4.020 4.193 . 0 0 "[ . 1 . 2 . 3]" 1 404 1 36 ALA MB 1 37 THR MG 4.800 . 4.800 4.428 4.287 4.662 . 0 0 "[ . 1 . 2 . 3]" 1 405 1 34 VAL MG2 1 36 ALA MB 5.700 . 5.700 4.497 3.544 4.820 . 0 0 "[ . 1 . 2 . 3]" 1 406 1 34 VAL HA 1 36 ALA MB 4.900 . 4.900 4.504 4.148 4.909 0.009 17 0 "[ . 1 . 2 . 3]" 1 407 1 33 ASN QB 1 36 ALA MB 5.700 . 5.700 5.067 3.993 5.668 . 0 0 "[ . 1 . 2 . 3]" 1 408 1 34 VAL MG1 1 36 ALA MB 5.700 . 5.700 4.521 3.552 4.880 . 0 0 "[ . 1 . 2 . 3]" 1 409 1 95 LYS HB2 1 96 PRO HD2 4.480 . 4.480 4.108 3.785 4.489 0.009 3 0 "[ . 1 . 2 . 3]" 1 410 1 95 LYS HB3 1 96 PRO HD2 5.620 . 5.620 2.583 2.190 3.204 . 0 0 "[ . 1 . 2 . 3]" 1 411 1 68 ALA HA 1 72 PRO QD 5.700 . 5.700 4.243 3.259 5.328 . 0 0 "[ . 1 . 2 . 3]" 1 412 1 71 ASN HB3 1 72 PRO QD 5.600 . 5.600 4.138 3.015 4.460 . 0 0 "[ . 1 . 2 . 3]" 1 413 1 95 LYS HB3 1 96 PRO HD3 5.160 . 5.160 3.605 2.736 4.458 . 0 0 "[ . 1 . 2 . 3]" 1 414 1 54 HIS HB2 1 55 PRO HD2 5.700 . 5.700 3.630 3.408 3.783 . 0 0 "[ . 1 . 2 . 3]" 1 415 1 55 PRO HD3 1 89 TRP HE3 5.700 . 5.700 2.460 2.141 2.835 . 0 0 "[ . 1 . 2 . 3]" 1 416 1 64 ALA MB 1 82 ILE HG13 4.680 . 4.680 2.072 1.769 2.575 . 0 0 "[ . 1 . 2 . 3]" 1 417 1 64 ALA MB 1 82 ILE MD 4.340 . 4.340 2.531 2.016 3.045 . 0 0 "[ . 1 . 2 . 3]" 1 418 1 59 ALA MB 1 60 LEU MD1 5.700 . 5.700 4.086 3.847 4.473 . 0 0 "[ . 1 . 2 . 3]" 1 419 1 64 ALA MB 1 77 GLY HA3 5.070 . 5.070 4.470 3.004 5.098 0.028 7 0 "[ . 1 . 2 . 3]" 1 420 1 57 GLY HA2 1 59 ALA MB 4.250 . 4.250 3.716 3.604 3.821 . 0 0 "[ . 1 . 2 . 3]" 1 421 1 64 ALA MB 1 82 ILE HG12 4.390 . 4.390 2.740 2.005 4.404 0.014 26 0 "[ . 1 . 2 . 3]" 1 422 1 64 ALA MB 1 67 ARG QB 5.400 . 5.400 3.398 3.235 3.556 . 0 0 "[ . 1 . 2 . 3]" 1 423 1 19 GLU HG2 1 20 ALA MB 5.700 . 5.700 4.375 3.189 4.845 . 0 0 "[ . 1 . 2 . 3]" 1 424 1 67 ARG QB 1 68 ALA MB 5.630 . 5.630 3.833 3.663 4.062 . 0 0 "[ . 1 . 2 . 3]" 1 425 1 18 THR MG 1 20 ALA MB 4.640 . 4.640 4.360 4.050 4.626 . 0 0 "[ . 1 . 2 . 3]" 1 426 1 34 VAL QG 1 68 ALA MB 5.700 . 5.700 4.380 3.323 5.085 . 0 0 "[ . 1 . 2 . 3]" 1 427 1 68 ALA MB 1 77 GLY HA3 4.900 . 4.900 3.433 2.259 4.529 . 0 0 "[ . 1 . 2 . 3]" 1 428 1 18 THR HA 1 20 ALA MB 5.700 . 5.700 5.570 5.228 5.722 0.022 18 0 "[ . 1 . 2 . 3]" 1 429 1 56 ASP HB3 1 59 ALA MB 5.000 . 5.000 2.128 1.852 3.938 . 0 0 "[ . 1 . 2 . 3]" 1 430 1 56 ASP HB2 1 59 ALA MB 4.220 . 4.220 3.453 3.232 3.996 . 0 0 "[ . 1 . 2 . 3]" 1 431 1 59 ALA MB 1 63 GLU HG2 5.370 . 5.370 3.496 2.811 3.796 . 0 0 "[ . 1 . 2 . 3]" 1 432 1 59 ALA MB 1 63 GLU HG3 5.680 . 5.680 3.364 2.982 3.667 . 0 0 "[ . 1 . 2 . 3]" 1 433 1 59 ALA MB 1 63 GLU HB3 5.230 . 5.230 3.554 3.441 3.751 . 0 0 "[ . 1 . 2 . 3]" 1 434 1 59 ALA MB 1 60 LEU HB2 4.590 . 4.590 4.352 4.264 4.498 . 0 0 "[ . 1 . 2 . 3]" 1 435 1 68 ALA MB 1 78 GLY HA2 4.960 . 4.960 2.541 1.871 3.567 . 0 0 "[ . 1 . 2 . 3]" 1 436 1 20 ALA MB 1 23 VAL MG2 5.700 . 5.700 3.068 2.831 5.408 . 0 0 "[ . 1 . 2 . 3]" 1 437 1 19 GLU HG2 1 20 ALA MB 5.700 . 5.700 3.597 3.045 3.845 . 0 0 "[ . 1 . 2 . 3]" 1 438 1 34 VAL MG1 1 68 ALA MB 5.700 . 5.700 4.559 3.362 5.361 . 0 0 "[ . 1 . 2 . 3]" 1 439 1 20 ALA MB 1 23 VAL MG1 5.700 . 5.700 3.840 3.398 4.046 . 0 0 "[ . 1 . 2 . 3]" 1 440 1 20 ALA MB 1 21 GLU HB3 4.900 . 4.900 4.099 3.824 4.679 . 0 0 "[ . 1 . 2 . 3]" 1 441 1 19 GLU QB 1 20 ALA MB 5.700 . 5.700 4.353 3.111 4.699 . 0 0 "[ . 1 . 2 . 3]" 1 442 1 59 ALA MB 1 63 GLU HB2 4.950 . 4.950 3.607 3.408 3.842 . 0 0 "[ . 1 . 2 . 3]" 1 443 1 64 ALA MB 1 67 ARG QB 5.160 . 5.160 3.415 3.254 3.570 . 0 0 "[ . 1 . 2 . 3]" 1 444 1 34 VAL MG2 1 65 ALA MB 5.700 . 5.700 4.492 2.265 5.065 . 0 0 "[ . 1 . 2 . 3]" 1 445 1 55 PRO HB3 1 59 ALA MB 5.680 . 5.680 5.099 4.662 5.720 0.040 17 0 "[ . 1 . 2 . 3]" 1 446 1 18 THR HA 1 20 ALA MB 5.700 . 5.700 4.477 4.054 4.824 . 0 0 "[ . 1 . 2 . 3]" 1 447 1 20 ALA MB 1 21 GLU HG2 5.700 . 5.700 3.921 3.617 4.362 . 0 0 "[ . 1 . 2 . 3]" 1 448 1 20 ALA MB 1 23 VAL MG2 5.700 . 5.700 3.018 2.827 4.786 . 0 0 "[ . 1 . 2 . 3]" 1 449 1 82 ILE MG 1 83 VAL HA 5.700 . 5.700 4.956 4.305 5.570 . 0 0 "[ . 1 . 2 . 3]" 1 450 1 63 GLU HB2 1 82 ILE MG 5.500 . 5.500 4.692 3.958 5.222 . 0 0 "[ . 1 . 2 . 3]" 1 451 1 82 ILE MG 1 86 ILE HG12 5.700 . 5.700 3.985 2.940 5.233 . 0 0 "[ . 1 . 2 . 3]" 1 452 1 60 LEU HB3 1 82 ILE MG 4.680 . 4.680 2.250 1.888 2.775 . 0 0 "[ . 1 . 2 . 3]" 1 453 1 82 ILE MG 1 83 VAL MG1 5.030 . 5.030 4.126 3.501 4.732 . 0 0 "[ . 1 . 2 . 3]" 1 454 1 26 LEU MD2 1 82 ILE MG 4.790 . 4.790 3.773 2.578 4.885 0.095 26 0 "[ . 1 . 2 . 3]" 1 455 1 60 LEU MD1 1 82 ILE MG 5.110 . 5.110 2.813 2.098 3.632 . 0 0 "[ . 1 . 2 . 3]" 1 456 1 59 ALA MB 1 62 TYR QD 5.700 . 5.700 3.759 3.160 4.320 . 0 0 "[ . 1 . 2 . 3]" 1 457 1 30 GLU HG2 1 65 ALA MB 5.700 . 5.700 3.346 2.613 3.782 . 0 0 "[ . 1 . 2 . 3]" 1 458 1 63 GLU HG3 1 66 ALA MB 5.700 . 5.700 4.476 4.329 4.627 . 0 0 "[ . 1 . 2 . 3]" 1 459 1 87 LYS HG3 1 91 ALA MB 4.410 . 4.410 3.562 3.326 4.121 . 0 0 "[ . 1 . 2 . 3]" 1 460 1 30 GLU HB2 1 65 ALA MB 5.490 . 5.490 4.006 2.821 4.649 . 0 0 "[ . 1 . 2 . 3]" 1 461 1 34 VAL MG2 1 65 ALA MB 5.700 . 5.700 4.888 2.269 5.733 0.033 17 0 "[ . 1 . 2 . 3]" 1 462 1 30 GLU HB3 1 65 ALA MB 5.700 . 5.700 3.727 3.137 4.252 . 0 0 "[ . 1 . 2 . 3]" 1 463 1 61 ILE HA 1 65 ALA MB 5.700 . 5.700 4.811 4.166 5.266 . 0 0 "[ . 1 . 2 . 3]" 1 464 1 79 PRO HA 1 82 ILE MG 5.700 . 5.700 4.344 3.759 4.582 . 0 0 "[ . 1 . 2 . 3]" 1 465 1 76 GLY HA2 1 82 ILE MG 5.700 . 5.700 4.797 3.015 5.786 0.086 23 0 "[ . 1 . 2 . 3]" 1 466 1 26 LEU HA 1 82 ILE MG 5.700 . 5.700 5.283 4.419 5.895 0.195 7 0 "[ . 1 . 2 . 3]" 1 467 1 61 ILE MD 1 82 ILE MG 5.700 . 5.700 4.195 1.806 5.752 0.052 7 0 "[ . 1 . 2 . 3]" 1 468 1 34 VAL HB 1 65 ALA MB 5.700 . 5.700 4.475 4.086 4.901 . 0 0 "[ . 1 . 2 . 3]" 1 469 1 62 TYR QD 1 65 ALA MB 5.700 . 5.700 4.300 3.690 4.917 . 0 0 "[ . 1 . 2 . 3]" 1 470 1 34 VAL QG 1 65 ALA MB 5.700 . 5.700 3.012 2.173 3.883 . 0 0 "[ . 1 . 2 . 3]" 1 471 1 34 VAL MG1 1 65 ALA MB 5.700 . 5.700 3.156 2.180 4.081 . 0 0 "[ . 1 . 2 . 3]" 1 472 1 54 HIS HD2 1 86 ILE MG 5.700 . 5.700 4.468 3.293 5.180 . 0 0 "[ . 1 . 2 . 3]" 1 473 1 60 LEU MD1 1 86 ILE MG 5.700 . 5.700 4.214 3.449 4.392 . 0 0 "[ . 1 . 2 . 3]" 1 474 1 30 GLU HG2 1 65 ALA MB 5.700 . 5.700 4.044 2.729 4.929 . 0 0 "[ . 1 . 2 . 3]" 1 475 1 61 ILE MG 1 65 ALA MB 5.700 . 5.700 3.423 2.908 3.901 . 0 0 "[ . 1 . 2 . 3]" 1 476 1 87 LYS HG2 1 91 ALA MB 5.700 . 5.700 4.493 3.972 4.742 . 0 0 "[ . 1 . 2 . 3]" 1 477 1 60 LEU HB2 1 65 ALA MB 4.940 . 4.940 4.368 3.695 4.743 . 0 0 "[ . 1 . 2 . 3]" 1 478 1 22 PHE QE 1 86 ILE MG 5.590 . 5.590 3.054 2.214 3.639 . 0 0 "[ . 1 . 2 . 3]" 1 479 1 86 ILE MG 1 98 PHE QE 5.430 . 5.430 2.821 2.274 3.082 . 0 0 "[ . 1 . 2 . 3]" 1 480 1 86 ILE MG 1 98 PHE HZ 5.300 . 5.300 2.455 2.239 2.896 . 0 0 "[ . 1 . 2 . 3]" 1 481 1 52 THR HA 1 86 ILE MG 4.590 . 4.590 2.403 2.059 3.002 . 0 0 "[ . 1 . 2 . 3]" 1 482 1 86 ILE MG 1 90 ARG HA 4.890 . 4.890 3.832 2.581 4.670 . 0 0 "[ . 1 . 2 . 3]" 1 483 1 86 ILE MG 1 90 ARG HD3 4.950 . 4.950 3.448 2.860 4.529 . 0 0 "[ . 1 . 2 . 3]" 1 484 1 54 HIS HB3 1 86 ILE MG 5.700 . 5.700 3.718 3.235 4.042 . 0 0 "[ . 1 . 2 . 3]" 1 485 1 14 ILE MD 1 86 ILE MG 4.660 . 4.660 2.666 2.021 3.327 . 0 0 "[ . 1 . 2 . 3]" 1 486 1 17 TYR QD 1 51 ILE MG 5.700 . 5.700 3.510 3.193 3.936 . 0 0 "[ . 1 . 2 . 3]" 1 487 1 13 SER HB3 1 51 ILE MG 5.640 . 5.640 3.952 3.656 4.185 . 0 0 "[ . 1 . 2 . 3]" 1 488 1 47 HIS HE1 1 51 ILE MG 5.700 . 5.700 4.124 3.393 4.908 . 0 0 "[ . 1 . 2 . 3]" 1 489 1 17 TYR QE 1 51 ILE MG 4.820 . 4.820 2.539 2.126 3.286 . 0 0 "[ . 1 . 2 . 3]" 1 490 1 14 ILE HA 1 51 ILE MG 4.960 . 4.960 3.602 3.444 3.808 . 0 0 "[ . 1 . 2 . 3]" 1 491 1 50 LYS HB3 1 51 ILE MG 5.700 . 5.700 4.555 3.602 4.791 . 0 0 "[ . 1 . 2 . 3]" 1 492 1 14 ILE HB 1 51 ILE MG 4.680 . 4.680 2.434 2.148 2.686 . 0 0 "[ . 1 . 2 . 3]" 1 493 1 14 ILE MD 1 51 ILE MG 5.690 . 5.690 4.418 3.763 5.455 . 0 0 "[ . 1 . 2 . 3]" 1 494 1 47 HIS HD2 1 51 ILE MG 5.700 . 5.700 3.458 2.895 4.082 . 0 0 "[ . 1 . 2 . 3]" 1 495 1 29 ILE MG 1 62 TYR QE 5.700 . 5.700 3.417 2.888 3.943 . 0 0 "[ . 1 . 2 . 3]" 1 496 1 29 ILE MG 1 30 GLU HA 5.150 . 5.150 3.121 2.862 3.354 . 0 0 "[ . 1 . 2 . 3]" 1 497 1 26 LEU HA 1 29 ILE MG 5.300 . 5.300 4.114 3.539 4.403 . 0 0 "[ . 1 . 2 . 3]" 1 498 1 29 ILE MG 1 33 ASN QB 5.610 . 5.610 2.788 2.109 3.315 . 0 0 "[ . 1 . 2 . 3]" 1 499 1 28 GLU HB3 1 29 ILE MG 5.700 . 5.700 4.467 4.272 4.732 . 0 0 "[ . 1 . 2 . 3]" 1 500 1 29 ILE MG 1 44 LEU HB2 5.640 . 5.640 2.629 2.067 3.307 . 0 0 "[ . 1 . 2 . 3]" 1 501 1 26 LEU HG 1 29 ILE MG 5.700 . 5.700 4.365 3.809 4.659 . 0 0 "[ . 1 . 2 . 3]" 1 502 1 29 ILE MG 1 44 LEU HB3 5.700 . 5.700 3.131 2.425 3.747 . 0 0 "[ . 1 . 2 . 3]" 1 503 1 29 ILE MG 1 45 LEU MD1 5.630 . 5.630 4.015 3.683 4.526 . 0 0 "[ . 1 . 2 . 3]" 1 504 1 25 LEU MD2 1 29 ILE MG 4.500 . 4.500 2.893 2.201 3.614 . 0 0 "[ . 1 . 2 . 3]" 1 505 1 29 ILE MD 1 29 ILE MG 3.640 . 3.640 1.884 1.794 1.967 . 0 0 "[ . 1 . 2 . 3]" 1 506 1 29 ILE MG 1 61 ILE HG13 5.010 . 5.010 3.581 2.087 4.530 . 0 0 "[ . 1 . 2 . 3]" 1 507 1 29 ILE MG 1 61 ILE MG 4.790 . 4.790 2.007 1.855 2.405 . 0 0 "[ . 1 . 2 . 3]" 1 508 1 29 ILE MG 1 61 ILE MD 4.900 . 4.900 2.228 1.782 3.115 . 0 0 "[ . 1 . 2 . 3]" 1 509 1 29 ILE MG 1 48 PHE HB2 5.700 . 5.700 3.978 3.752 4.389 . 0 0 "[ . 1 . 2 . 3]" 1 510 1 26 LEU HB3 1 61 ILE MG 5.700 . 5.700 5.041 4.386 5.466 . 0 0 "[ . 1 . 2 . 3]" 1 511 1 61 ILE MG 1 62 TYR QE 5.700 . 5.700 4.542 3.281 5.268 . 0 0 "[ . 1 . 2 . 3]" 1 512 1 61 ILE MG 1 62 TYR QD 5.700 . 5.700 4.010 2.537 4.680 . 0 0 "[ . 1 . 2 . 3]" 1 513 1 26 LEU HA 1 61 ILE MG 5.700 . 5.700 4.170 3.785 4.470 . 0 0 "[ . 1 . 2 . 3]" 1 514 1 61 ILE MG 1 64 ALA MB 5.700 . 5.700 3.091 2.756 3.540 . 0 0 "[ . 1 . 2 . 3]" 1 515 1 45 LEU MD1 1 61 ILE MG 5.700 . 5.700 3.696 3.299 4.206 . 0 0 "[ . 1 . 2 . 3]" 1 516 1 49 VAL HB 1 57 GLY HA2 5.700 . 5.700 3.618 3.440 3.721 . 0 0 "[ . 1 . 2 . 3]" 1 517 1 48 PHE QE 1 57 GLY HA3 5.700 . 5.700 3.253 2.835 3.623 . 0 0 "[ . 1 . 2 . 3]" 1 518 1 57 GLY HA2 1 58 THR MG 5.700 . 5.700 5.342 4.520 5.682 . 0 0 "[ . 1 . 2 . 3]" 1 519 1 49 VAL MG1 1 57 GLY HA2 4.660 . 4.660 4.885 4.772 4.974 0.314 29 0 "[ . 1 . 2 . 3]" 1 520 1 49 VAL MG2 1 57 GLY HA2 5.040 . 5.040 3.248 2.984 4.048 . 0 0 "[ . 1 . 2 . 3]" 1 521 1 49 VAL HA 1 57 GLY HA3 5.390 . 5.390 3.316 3.029 3.549 . 0 0 "[ . 1 . 2 . 3]" 1 522 1 57 GLY HA3 1 58 THR MG 5.700 . 5.700 4.657 3.796 5.071 . 0 0 "[ . 1 . 2 . 3]" 1 523 1 49 VAL MG1 1 57 GLY HA3 4.780 . 4.780 3.558 3.471 3.637 . 0 0 "[ . 1 . 2 . 3]" 1 524 1 49 VAL MG2 1 57 GLY HA3 5.080 . 5.080 2.120 1.909 2.916 . 0 0 "[ . 1 . 2 . 3]" 1 525 1 14 ILE MG 1 90 ARG HD2 5.700 . 5.700 4.326 3.417 4.989 . 0 0 "[ . 1 . 2 . 3]" 1 526 1 14 ILE MG 1 98 PHE QE 5.700 . 5.700 5.251 4.883 5.737 0.037 27 0 "[ . 1 . 2 . 3]" 1 527 1 14 ILE MG 1 90 ARG HB2 5.700 . 5.700 4.288 3.188 4.774 . 0 0 "[ . 1 . 2 . 3]" 1 528 1 81 GLY HA2 1 82 ILE HG12 5.700 . 5.700 3.555 2.860 4.277 . 0 0 "[ . 1 . 2 . 3]" 1 529 1 14 ILE MG 1 90 ARG HD3 5.700 . 5.700 4.000 2.557 5.799 0.099 10 0 "[ . 1 . 2 . 3]" 1 530 1 14 ILE MG 1 51 ILE MD 5.430 . 5.430 4.110 3.696 4.429 . 0 0 "[ . 1 . 2 . 3]" 1 531 1 81 GLY HA2 1 84 LYS QB 4.350 . 4.350 2.537 2.054 3.108 . 0 0 "[ . 1 . 2 . 3]" 1 532 1 81 GLY HA3 1 82 ILE HG12 5.530 . 5.530 4.023 3.383 4.492 . 0 0 "[ . 1 . 2 . 3]" 1 533 1 22 PHE QD 1 86 ILE MD 5.700 . 5.700 5.418 3.723 5.738 0.038 24 0 "[ . 1 . 2 . 3]" 1 534 1 82 ILE HA 1 86 ILE MD 5.700 . 5.700 5.128 4.446 5.580 . 0 0 "[ . 1 . 2 . 3]" 1 535 1 27 LYS HA 1 82 ILE MD 5.700 . 5.700 4.186 3.857 4.649 . 0 0 "[ . 1 . 2 . 3]" 1 536 1 26 LEU HA 1 82 ILE MD 5.700 . 5.700 3.544 2.761 4.873 . 0 0 "[ . 1 . 2 . 3]" 1 537 1 61 ILE HA 1 82 ILE MD 4.070 . 4.070 2.688 2.291 4.013 . 0 0 "[ . 1 . 2 . 3]" 1 538 1 79 PRO HB2 1 82 ILE MD 5.700 . 5.700 4.075 3.514 4.437 . 0 0 "[ . 1 . 2 . 3]" 1 539 1 29 ILE HB 1 82 ILE MD 5.700 . 5.700 3.950 3.413 4.826 . 0 0 "[ . 1 . 2 . 3]" 1 540 1 27 LYS HG2 1 82 ILE MD 5.700 . 5.700 5.784 5.560 5.908 0.208 10 0 "[ . 1 . 2 . 3]" 1 541 1 26 LEU HG 1 82 ILE MD 4.320 . 4.320 2.384 1.895 2.980 . 0 0 "[ . 1 . 2 . 3]" 1 542 1 60 LEU HB3 1 82 ILE MD 5.340 . 5.340 3.903 2.817 4.439 . 0 0 "[ . 1 . 2 . 3]" 1 543 1 26 LEU HB3 1 82 ILE MD 5.700 . 5.700 2.398 1.854 4.312 . 0 0 "[ . 1 . 2 . 3]" 1 544 1 26 LEU MD2 1 82 ILE MD 4.770 . 4.770 2.188 1.784 3.774 . 0 0 "[ . 1 . 2 . 3]" 1 545 1 29 ILE MD 1 82 ILE MD 5.700 . 5.700 3.818 3.114 5.054 . 0 0 "[ . 1 . 2 . 3]" 1 546 1 60 LEU MD1 1 82 ILE MD 4.830 . 4.830 3.235 2.136 4.433 . 0 0 "[ . 1 . 2 . 3]" 1 547 1 61 ILE MG 1 82 ILE MD 5.680 . 5.680 3.369 2.415 5.088 . 0 0 "[ . 1 . 2 . 3]" 1 548 1 61 ILE MD 1 82 ILE MD 5.700 . 5.700 3.760 1.886 5.609 . 0 0 "[ . 1 . 2 . 3]" 1 549 1 22 PHE QE 1 82 ILE MD 5.700 . 5.700 4.736 3.947 5.585 . 0 0 "[ . 1 . 2 . 3]" 1 550 1 28 GLU HA 1 82 ILE MD 5.700 . 5.700 5.297 4.544 5.738 0.038 2 0 "[ . 1 . 2 . 3]" 1 551 1 23 VAL HA 1 82 ILE MD 5.700 . 5.700 4.859 4.342 5.263 . 0 0 "[ . 1 . 2 . 3]" 1 552 1 30 GLU HG2 1 82 ILE MD 5.700 . 5.700 3.149 2.611 3.452 . 0 0 "[ . 1 . 2 . 3]" 1 553 1 48 PHE QE 1 86 ILE MD 5.070 . 5.070 2.922 2.103 3.149 . 0 0 "[ . 1 . 2 . 3]" 1 554 1 60 LEU MD1 1 86 ILE MD 5.160 . 5.160 1.936 1.850 2.470 . 0 0 "[ . 1 . 2 . 3]" 1 555 1 14 ILE MD 1 86 ILE MD 5.700 . 5.700 4.426 3.896 5.044 . 0 0 "[ . 1 . 2 . 3]" 1 556 1 22 PHE QE 1 86 ILE MD 4.300 . 4.300 2.117 1.691 2.428 . 0 0 "[ . 1 . 2 . 3]" 1 557 1 86 ILE MD 1 98 PHE HZ 5.700 . 5.700 4.557 2.562 5.362 . 0 0 "[ . 1 . 2 . 3]" 1 558 1 52 THR HA 1 86 ILE MD 4.850 . 4.850 2.426 1.842 3.805 . 0 0 "[ . 1 . 2 . 3]" 1 559 1 83 VAL HA 1 86 ILE MD 4.540 . 4.540 4.281 2.073 4.659 0.119 17 0 "[ . 1 . 2 . 3]" 1 560 1 86 ILE MD 1 98 PHE QE 5.700 . 5.700 4.943 3.503 5.467 . 0 0 "[ . 1 . 2 . 3]" 1 561 1 54 HIS HD2 1 86 ILE MD 5.700 . 5.700 3.482 2.389 5.753 0.053 5 0 "[ . 1 . 2 . 3]" 1 562 1 100 GLN HB2 1 101 GLY HA2 5.700 . 5.700 4.893 4.546 5.738 0.038 16 0 "[ . 1 . 2 . 3]" 1 563 1 18 THR MG 1 101 GLY HA2 4.760 . 4.760 3.564 2.017 3.976 . 0 0 "[ . 1 . 2 . 3]" 1 564 1 100 GLN HA 1 101 GLY HA3 5.620 . 5.620 4.341 4.247 4.771 . 0 0 "[ . 1 . 2 . 3]" 1 565 1 100 GLN HB2 1 101 GLY HA3 5.690 . 5.690 5.237 4.877 5.707 0.017 11 0 "[ . 1 . 2 . 3]" 1 566 1 99 LYS QG 1 101 GLY HA3 5.700 . 5.700 4.074 3.702 5.594 . 0 0 "[ . 1 . 2 . 3]" 1 567 1 99 LYS QG 1 101 GLY HA2 5.700 . 5.700 5.084 3.702 5.562 . 0 0 "[ . 1 . 2 . 3]" 1 568 1 18 THR MG 1 101 GLY HA3 4.770 . 4.770 2.424 2.015 4.279 . 0 0 "[ . 1 . 2 . 3]" 1 569 1 67 ARG QB 1 76 GLY QA 5.700 . 5.700 4.106 2.257 5.747 0.047 10 0 "[ . 1 . 2 . 3]" 1 570 1 68 ALA MB 1 76 GLY QA 5.700 . 5.700 5.370 4.730 5.671 . 0 0 "[ . 1 . 2 . 3]" 1 571 1 68 ALA MB 1 76 GLY QA 5.700 . 5.700 5.539 4.775 5.856 0.156 20 0 "[ . 1 . 2 . 3]" 1 572 1 67 ARG QB 1 78 GLY HA2 5.620 . 5.620 4.187 3.627 4.383 . 0 0 "[ . 1 . 2 . 3]" 1 573 1 64 ALA MB 1 78 GLY HA2 5.700 . 5.700 2.347 1.868 3.228 . 0 0 "[ . 1 . 2 . 3]" 1 574 1 78 GLY HA2 1 79 PRO HD3 4.190 . 4.190 2.669 2.296 3.673 . 0 0 "[ . 1 . 2 . 3]" 1 575 1 64 ALA MB 1 78 GLY HA2 5.700 . 5.700 3.364 2.063 5.112 . 0 0 "[ . 1 . 2 . 3]" 1 576 1 78 GLY HA2 1 79 PRO HD2 4.110 . 4.110 2.883 2.216 3.815 . 0 0 "[ . 1 . 2 . 3]" 1 577 1 30 GLU HB3 1 78 GLY HA2 5.700 . 5.700 4.727 4.161 5.431 . 0 0 "[ . 1 . 2 . 3]" 1 578 1 78 GLY HA3 1 79 PRO HG2 5.700 . 5.700 4.252 3.979 4.477 . 0 0 "[ . 1 . 2 . 3]" 1 579 1 78 GLY HA3 1 79 PRO HD3 4.180 . 4.180 2.932 2.029 3.581 . 0 0 "[ . 1 . 2 . 3]" 1 580 1 67 ARG QB 1 77 GLY HA2 5.460 . 5.460 2.738 2.018 4.079 . 0 0 "[ . 1 . 2 . 3]" 1 581 1 73 GLY QA 1 74 GLY HA2 4.370 . 4.370 4.040 3.837 4.395 0.025 1 0 "[ . 1 . 2 . 3]" 1 582 1 72 PRO QD 1 73 GLY QA 5.500 . 5.500 4.357 3.842 5.334 . 0 0 "[ . 1 . 2 . 3]" 1 583 1 72 PRO HB3 1 73 GLY QA 5.590 . 5.590 5.127 4.585 5.516 . 0 0 "[ . 1 . 2 . 3]" 1 584 1 72 PRO QD 1 74 GLY HA3 5.700 . 5.700 3.933 1.993 5.108 . 0 0 "[ . 1 . 2 . 3]" 1 585 1 78 GLY HA3 1 79 PRO HG2 5.700 . 5.700 4.048 3.789 4.320 . 0 0 "[ . 1 . 2 . 3]" 1 586 1 73 GLY QA 1 74 GLY HA3 3.730 . 3.730 3.699 3.291 3.888 0.158 17 0 "[ . 1 . 2 . 3]" 1 587 1 77 GLY HA3 1 78 GLY HA2 4.850 . 4.850 4.664 4.199 5.080 0.230 6 0 "[ . 1 . 2 . 3]" 1 588 1 71 ASN HB2 1 74 GLY HA3 5.700 . 5.700 4.796 2.877 5.739 0.039 13 0 "[ . 1 . 2 . 3]" 1 589 1 74 GLY HA3 1 75 ASP QB 5.700 . 5.700 4.608 3.976 5.483 . 0 0 "[ . 1 . 2 . 3]" 1 590 1 67 ARG QB 1 77 GLY HA2 5.310 . 5.310 2.753 2.019 4.209 . 0 0 "[ . 1 . 2 . 3]" 1 591 1 68 ALA MB 1 77 GLY HA2 5.000 . 5.000 2.740 2.019 3.567 . 0 0 "[ . 1 . 2 . 3]" 1 592 1 67 ARG QB 1 77 GLY HA3 5.700 . 5.700 3.401 1.929 5.703 0.003 6 0 "[ . 1 . 2 . 3]" 1 593 1 14 ILE MD 1 98 PHE HZ 5.570 . 5.570 3.533 2.803 4.251 . 0 0 "[ . 1 . 2 . 3]" 1 594 1 14 ILE MD 1 90 ARG HD2 5.280 . 5.280 4.537 2.934 5.347 0.067 22 0 "[ . 1 . 2 . 3]" 1 595 1 14 ILE MD 1 90 ARG HD3 5.330 . 5.330 3.938 2.484 5.465 0.135 28 0 "[ . 1 . 2 . 3]" 1 596 1 14 ILE MD 1 87 LYS HG2 5.700 . 5.700 4.789 3.522 5.814 0.114 18 0 "[ . 1 . 2 . 3]" 1 597 1 14 ILE MD 1 51 ILE MD 5.090 . 5.090 3.101 2.085 4.357 . 0 0 "[ . 1 . 2 . 3]" 1 598 1 14 ILE MD 1 98 PHE QD 5.700 . 5.700 2.951 1.992 3.670 . 0 0 "[ . 1 . 2 . 3]" 1 599 1 14 ILE MD 1 51 ILE HG13 5.160 . 5.160 2.916 2.219 3.602 . 0 0 "[ . 1 . 2 . 3]" 1 600 1 14 ILE MD 1 86 ILE HB 5.700 . 5.700 4.668 3.827 5.711 0.011 8 0 "[ . 1 . 2 . 3]" 1 601 1 14 ILE MD 1 22 PHE QE 5.140 . 5.140 3.143 2.497 4.329 . 0 0 "[ . 1 . 2 . 3]" 1 602 1 14 ILE MD 1 52 THR HA 4.380 . 4.380 2.554 1.948 3.411 . 0 0 "[ . 1 . 2 . 3]" 1 603 1 14 ILE MD 1 51 ILE HB 5.700 . 5.700 3.255 2.590 4.258 . 0 0 "[ . 1 . 2 . 3]" 1 604 1 17 TYR QD 1 51 ILE MD 5.700 . 5.700 2.773 2.393 3.046 . 0 0 "[ . 1 . 2 . 3]" 1 605 1 17 TYR QE 1 51 ILE MD 4.440 . 4.440 1.800 1.704 2.058 . 0 0 "[ . 1 . 2 . 3]" 1 606 1 14 ILE HA 1 51 ILE MD 5.630 . 5.630 3.028 2.265 3.679 . 0 0 "[ . 1 . 2 . 3]" 1 607 1 14 ILE HB 1 51 ILE MD 5.700 . 5.700 3.535 2.897 3.974 . 0 0 "[ . 1 . 2 . 3]" 1 608 1 14 ILE HG12 1 51 ILE MD 5.630 . 5.630 3.398 2.988 4.165 . 0 0 "[ . 1 . 2 . 3]" 1 609 1 47 HIS HE1 1 51 ILE MD 5.700 . 5.700 4.646 3.984 5.729 0.029 9 0 "[ . 1 . 2 . 3]" 1 610 1 47 HIS HD2 1 51 ILE MD 5.700 . 5.700 2.319 2.064 2.928 . 0 0 "[ . 1 . 2 . 3]" 1 611 1 48 PHE HA 1 51 ILE MD 5.700 . 5.700 2.342 2.076 2.937 . 0 0 "[ . 1 . 2 . 3]" 1 612 1 29 ILE MD 1 48 PHE HB3 5.160 . 5.160 3.062 2.858 3.550 . 0 0 "[ . 1 . 2 . 3]" 1 613 1 25 LEU HB3 1 29 ILE MD 5.700 . 5.700 3.472 2.416 3.876 . 0 0 "[ . 1 . 2 . 3]" 1 614 1 25 LEU HG 1 29 ILE MD 4.510 . 4.510 2.950 2.015 4.013 . 0 0 "[ . 1 . 2 . 3]" 1 615 1 25 LEU MD2 1 29 ILE MD 4.780 . 4.780 2.570 1.787 3.722 . 0 0 "[ . 1 . 2 . 3]" 1 616 1 29 ILE MD 1 61 ILE MD 4.980 . 4.980 2.346 1.882 3.133 . 0 0 "[ . 1 . 2 . 3]" 1 617 1 29 ILE MD 1 44 LEU HA 4.860 . 4.860 3.192 3.003 3.491 . 0 0 "[ . 1 . 2 . 3]" 1 618 1 26 LEU HB2 1 29 ILE MD 5.700 . 5.700 4.375 3.734 4.664 . 0 0 "[ . 1 . 2 . 3]" 1 619 1 25 LEU HB2 1 29 ILE MD 4.750 . 4.750 3.448 3.050 3.685 . 0 0 "[ . 1 . 2 . 3]" 1 620 1 29 ILE MD 1 61 ILE MG 5.700 . 5.700 3.549 3.050 3.975 . 0 0 "[ . 1 . 2 . 3]" 1 621 1 61 ILE MD 1 62 TYR QE 5.700 . 5.700 5.080 4.357 5.773 0.073 3 0 "[ . 1 . 2 . 3]" 1 622 1 63 GLU HB3 1 67 ARG HD2 5.700 . 5.700 4.354 2.512 5.775 0.075 30 0 "[ . 1 . 2 . 3]" 1 623 1 26 LEU HB3 1 61 ILE MD 5.700 . 5.700 4.112 3.603 4.546 . 0 0 "[ . 1 . 2 . 3]" 1 624 1 48 PHE QE 1 61 ILE MD 5.700 . 5.700 2.936 2.370 3.563 . 0 0 "[ . 1 . 2 . 3]" 1 625 1 30 GLU HA 1 61 ILE MD 5.700 . 5.700 3.026 2.225 4.289 . 0 0 "[ . 1 . 2 . 3]" 1 626 1 29 ILE HB 1 61 ILE MD 5.700 . 5.700 3.734 2.447 4.714 . 0 0 "[ . 1 . 2 . 3]" 1 627 1 26 LEU HG 1 61 ILE MD 5.700 . 5.700 3.617 2.684 4.027 . 0 0 "[ . 1 . 2 . 3]" 1 628 1 45 LEU MD1 1 61 ILE MD 5.700 . 5.700 3.437 1.805 4.228 . 0 0 "[ . 1 . 2 . 3]" 1 629 1 26 LEU MD1 1 61 ILE MD 5.700 . 5.700 4.044 2.386 5.062 . 0 0 "[ . 1 . 2 . 3]" 1 630 1 26 LEU MD2 1 61 ILE MD 4.680 . 4.680 2.190 1.781 2.995 . 0 0 "[ . 1 . 2 . 3]" 1 631 1 64 ALA HA 1 67 ARG HD2 5.240 . 5.240 3.904 2.759 4.344 . 0 0 "[ . 1 . 2 . 3]" 1 632 1 64 ALA HA 1 67 ARG HD3 5.150 . 5.150 2.853 2.081 4.121 . 0 0 "[ . 1 . 2 . 3]" 1 633 1 48 PHE HZ 1 61 ILE MD 5.700 . 5.700 3.926 3.230 4.560 . 0 0 "[ . 1 . 2 . 3]" 1 634 1 60 LEU HB2 1 83 VAL MG1 5.700 . 5.700 5.447 4.902 5.725 0.025 21 0 "[ . 1 . 2 . 3]" 1 635 1 60 LEU HB2 1 82 ILE MG 5.700 . 5.700 3.315 2.711 4.104 . 0 0 "[ . 1 . 2 . 3]" 1 636 1 60 LEU HB2 1 61 ILE HG12 5.700 . 5.700 4.279 3.434 4.999 . 0 0 "[ . 1 . 2 . 3]" 1 637 1 60 LEU HB2 1 61 ILE HA 5.700 . 5.700 4.354 4.206 4.518 . 0 0 "[ . 1 . 2 . 3]" 1 638 1 48 PHE QE 1 60 LEU HB3 5.700 . 5.700 4.100 3.812 4.447 . 0 0 "[ . 1 . 2 . 3]" 1 639 1 48 PHE HZ 1 60 LEU HB3 5.300 . 5.300 3.412 2.933 3.799 . 0 0 "[ . 1 . 2 . 3]" 1 640 1 60 LEU HB3 1 86 ILE HG12 5.290 . 5.290 4.561 3.949 4.918 . 0 0 "[ . 1 . 2 . 3]" 1 641 1 60 LEU HB3 1 61 ILE HG12 5.650 . 5.650 4.069 2.826 4.776 . 0 0 "[ . 1 . 2 . 3]" 1 642 1 60 LEU HB3 1 61 ILE HA 5.700 . 5.700 4.208 4.050 4.373 . 0 0 "[ . 1 . 2 . 3]" 1 643 1 14 ILE MG 1 97 GLY HA2 5.190 . 5.190 3.106 2.284 3.803 . 0 0 "[ . 1 . 2 . 3]" 1 644 1 90 ARG HB3 1 97 GLY HA2 5.700 . 5.700 3.752 2.601 4.490 . 0 0 "[ . 1 . 2 . 3]" 1 645 1 90 ARG HB2 1 97 GLY HA2 5.340 . 5.340 3.785 2.784 4.248 . 0 0 "[ . 1 . 2 . 3]" 1 646 1 14 ILE MD 1 97 GLY HA2 5.700 . 5.700 3.553 2.175 4.699 . 0 0 "[ . 1 . 2 . 3]" 1 647 1 14 ILE HG13 1 97 GLY HA3 5.700 . 5.700 4.439 3.896 4.962 . 0 0 "[ . 1 . 2 . 3]" 1 648 1 90 ARG HB2 1 97 GLY HA3 5.650 . 5.650 4.062 3.102 4.554 . 0 0 "[ . 1 . 2 . 3]" 1 649 1 14 ILE MG 1 97 GLY HA3 5.360 . 5.360 4.440 3.691 4.908 . 0 0 "[ . 1 . 2 . 3]" 1 650 1 14 ILE MD 1 97 GLY HA3 5.700 . 5.700 4.561 3.125 5.702 0.002 4 0 "[ . 1 . 2 . 3]" 1 651 1 14 ILE HA 1 97 GLY HA3 5.120 . 5.120 4.101 3.488 4.935 . 0 0 "[ . 1 . 2 . 3]" 1 652 1 11 LYS HE2 1 16 ASP HB2 5.600 . 5.600 5.685 5.645 5.771 0.171 16 0 "[ . 1 . 2 . 3]" 1 653 1 11 LYS HB2 1 16 ASP HB2 4.670 . 4.670 4.329 3.966 4.671 0.001 23 0 "[ . 1 . 2 . 3]" 1 654 1 11 LYS HB3 1 16 ASP HB2 5.700 . 5.700 3.036 2.795 3.314 . 0 0 "[ . 1 . 2 . 3]" 1 655 1 11 LYS HD2 1 16 ASP HB2 5.030 . 5.030 4.421 4.115 5.212 0.182 13 0 "[ . 1 . 2 . 3]" 1 656 1 11 LYS HD3 1 16 ASP HB2 5.700 . 5.700 5.785 5.665 5.838 0.138 14 0 "[ . 1 . 2 . 3]" 1 657 1 11 LYS HB2 1 16 ASP HB3 4.770 . 4.770 3.120 2.774 3.404 . 0 0 "[ . 1 . 2 . 3]" 1 658 1 11 LYS HD2 1 16 ASP HB3 5.060 . 5.060 3.117 2.811 3.918 . 0 0 "[ . 1 . 2 . 3]" 1 659 1 90 ARG HA 1 95 LYS HE2 5.360 . 5.360 4.694 1.862 5.376 0.016 18 0 "[ . 1 . 2 . 3]" 1 660 1 89 TRP HH2 1 95 LYS HE2 5.280 . 5.280 3.781 2.714 4.781 . 0 0 "[ . 1 . 2 . 3]" 1 661 1 89 TRP HZ3 1 95 LYS HE2 5.660 . 5.660 3.736 2.132 4.911 . 0 0 "[ . 1 . 2 . 3]" 1 662 1 53 GLU QB 1 95 LYS HE2 5.290 . 5.290 4.509 3.063 5.342 0.052 6 0 "[ . 1 . 2 . 3]" 1 663 1 53 GLU QB 1 95 LYS HE3 5.520 . 5.520 3.553 2.572 5.366 . 0 0 "[ . 1 . 2 . 3]" 1 664 1 93 ASN HB2 1 95 LYS HE3 5.080 . 5.080 4.865 4.140 5.152 0.072 9 0 "[ . 1 . 2 . 3]" 1 665 1 44 LEU HB2 1 58 THR MG 5.700 . 5.700 5.869 5.777 5.909 0.209 13 0 "[ . 1 . 2 . 3]" 1 666 1 25 LEU MD2 1 44 LEU HB2 5.700 . 5.700 3.477 2.812 3.986 . 0 0 "[ . 1 . 2 . 3]" 1 667 1 44 LEU HB3 1 45 LEU HB2 5.700 . 5.700 5.732 5.622 5.782 0.082 23 0 "[ . 1 . 2 . 3]" 1 668 1 25 LEU MD2 1 44 LEU HB3 5.700 . 5.700 3.932 2.454 4.895 . 0 0 "[ . 1 . 2 . 3]" 1 669 1 14 ILE HG13 1 90 ARG HD2 5.500 . 5.500 3.991 2.578 4.845 . 0 0 "[ . 1 . 2 . 3]" 1 670 1 93 ASN HB2 1 95 LYS HE2 5.700 . 5.700 4.512 3.074 5.734 0.034 25 0 "[ . 1 . 2 . 3]" 1 671 1 95 LYS HB2 1 95 LYS HE2 5.700 . 5.700 4.127 2.187 4.636 . 0 0 "[ . 1 . 2 . 3]" 1 672 1 12 ASN QB 1 50 LYS QE 4.320 . 4.320 4.310 4.052 4.430 0.110 22 0 "[ . 1 . 2 . 3]" 1 673 1 52 THR HA 1 90 ARG HD3 5.700 . 5.700 3.497 2.593 4.532 . 0 0 "[ . 1 . 2 . 3]" 1 674 1 14 ILE HG13 1 90 ARG HD3 5.290 . 5.290 3.387 2.857 4.499 . 0 0 "[ . 1 . 2 . 3]" 1 675 1 90 ARG HA 1 95 LYS HE3 5.700 . 5.700 4.293 2.740 5.547 . 0 0 "[ . 1 . 2 . 3]" 1 676 1 52 THR HA 1 90 ARG HD2 5.700 . 5.700 3.721 2.665 4.793 . 0 0 "[ . 1 . 2 . 3]" 1 677 1 89 TRP HZ3 1 90 ARG HD2 5.700 . 5.700 3.412 2.697 4.495 . 0 0 "[ . 1 . 2 . 3]" 1 678 1 89 TRP HZ3 1 90 ARG HD3 5.700 . 5.700 4.269 2.891 5.570 . 0 0 "[ . 1 . 2 . 3]" 1 679 1 75 ASP QB 1 84 LYS QE 5.210 . 5.210 3.756 2.113 4.778 . 0 0 "[ . 1 . 2 . 3]" 1 680 1 99 LYS HB2 1 99 LYS QE 4.240 . 4.240 2.355 1.888 3.879 . 0 0 "[ . 1 . 2 . 3]" 1 681 1 18 THR MG 1 99 LYS QE 4.200 . 4.200 2.582 1.911 3.226 . 0 0 "[ . 1 . 2 . 3]" 1 682 1 11 LYS HE2 1 17 TYR QE 5.660 . 5.660 4.360 3.739 4.858 . 0 0 "[ . 1 . 2 . 3]" 1 683 1 11 LYS HE2 1 21 GLU HB2 4.570 . 4.570 3.647 3.279 4.238 . 0 0 "[ . 1 . 2 . 3]" 1 684 1 11 LYS HE2 1 21 GLU HG3 5.520 . 5.520 2.556 2.209 3.397 . 0 0 "[ . 1 . 2 . 3]" 1 685 1 11 LYS HE3 1 17 TYR QE 5.700 . 5.700 5.573 5.175 5.739 0.039 11 0 "[ . 1 . 2 . 3]" 1 686 1 11 LYS HE3 1 16 ASP HB2 5.700 . 5.700 4.504 4.143 5.327 . 0 0 "[ . 1 . 2 . 3]" 1 687 1 11 LYS HE3 1 16 ASP HB3 4.540 . 4.540 3.092 2.692 3.642 . 0 0 "[ . 1 . 2 . 3]" 1 688 1 11 LYS HE3 1 21 GLU HB3 5.590 . 5.590 4.420 3.614 4.764 . 0 0 "[ . 1 . 2 . 3]" 1 689 1 31 LYS QE 1 32 GLU HG2 5.280 . 5.280 5.016 3.417 5.427 0.147 8 0 "[ . 1 . 2 . 3]" 1 690 1 30 GLU HB3 1 31 LYS QE 5.700 . 5.700 4.971 3.372 5.767 0.067 16 0 "[ . 1 . 2 . 3]" 1 691 1 31 LYS QB 1 31 LYS QE 4.210 . 4.210 2.741 1.934 3.866 . 0 0 "[ . 1 . 2 . 3]" 1 692 1 27 LYS QE 1 79 PRO HB2 5.700 . 5.700 3.196 2.462 4.433 . 0 0 "[ . 1 . 2 . 3]" 1 693 1 27 LYS HA 1 27 LYS QE 5.700 . 5.700 4.621 3.820 5.110 . 0 0 "[ . 1 . 2 . 3]" 1 694 1 11 LYS HE3 1 21 GLU HG3 5.190 . 5.190 3.461 2.939 3.934 . 0 0 "[ . 1 . 2 . 3]" 1 695 1 50 LYS HA 1 50 LYS QE 5.040 . 5.040 4.240 3.641 4.876 . 0 0 "[ . 1 . 2 . 3]" 1 696 1 32 GLU HB3 1 41 LEU HB2 4.660 . 4.660 3.251 2.196 4.630 . 0 0 "[ . 1 . 2 . 3]" 1 697 1 32 GLU HB2 1 41 LEU HB2 5.700 . 5.700 3.643 3.418 3.886 . 0 0 "[ . 1 . 2 . 3]" 1 698 1 36 ALA MB 1 41 LEU HB3 5.700 . 5.700 5.673 4.642 5.869 0.169 3 0 "[ . 1 . 2 . 3]" 1 699 1 32 GLU HB2 1 41 LEU HB3 5.030 . 5.030 5.122 4.916 5.256 0.226 13 0 "[ . 1 . 2 . 3]" 1 700 1 43 VAL HB 1 45 LEU HB3 5.700 . 5.700 5.547 5.103 5.837 0.137 6 0 "[ . 1 . 2 . 3]" 1 701 1 45 LEU HB2 1 58 THR MG 4.740 . 4.740 3.440 3.285 3.743 . 0 0 "[ . 1 . 2 . 3]" 1 702 1 39 ASP QB 1 41 LEU HB3 5.170 . 5.170 3.901 3.732 4.140 . 0 0 "[ . 1 . 2 . 3]" 1 703 1 42 ASP HA 1 45 LEU HB3 4.950 . 4.950 3.819 3.458 4.029 . 0 0 "[ . 1 . 2 . 3]" 1 704 1 45 LEU HB3 1 58 THR MG 5.460 . 5.460 2.025 1.835 2.382 . 0 0 "[ . 1 . 2 . 3]" 1 705 1 38 ASP HB3 1 41 LEU MD1 5.700 . 5.700 4.938 3.918 5.728 0.028 3 0 "[ . 1 . 2 . 3]" 1 706 1 41 LEU HB3 1 45 LEU HB2 5.360 . 5.360 5.443 5.401 5.499 0.139 13 0 "[ . 1 . 2 . 3]" 1 707 1 38 ASP HB2 1 41 LEU HB2 5.700 . 5.700 5.656 5.450 5.777 0.077 17 0 "[ . 1 . 2 . 3]" 1 708 1 38 ASP HB2 1 41 LEU HB3 5.700 . 5.700 4.509 4.018 4.956 . 0 0 "[ . 1 . 2 . 3]" 1 709 1 38 ASP HB2 1 41 LEU MD1 5.700 . 5.700 4.660 3.553 5.453 . 0 0 "[ . 1 . 2 . 3]" 1 710 1 38 ASP HB3 1 41 LEU HB2 5.700 . 5.700 5.655 5.417 5.791 0.091 14 0 "[ . 1 . 2 . 3]" 1 711 1 83 VAL MG2 1 87 LYS HE3 5.700 . 5.700 4.468 2.764 5.733 0.033 5 0 "[ . 1 . 2 . 3]" 1 712 1 10 LEU HB2 1 11 LYS HD3 5.250 . 5.250 5.232 5.026 5.303 0.053 29 0 "[ . 1 . 2 . 3]" 1 713 1 17 TYR QB 1 98 PHE QE 5.700 . 5.700 3.649 2.916 4.393 . 0 0 "[ . 1 . 2 . 3]" 1 714 1 26 LEU HB2 1 27 LYS HB2 5.570 . 5.570 5.042 4.644 5.698 0.128 10 0 "[ . 1 . 2 . 3]" 1 715 1 17 TYR QB 1 22 PHE QB 5.620 . 5.620 2.270 1.968 2.753 . 0 0 "[ . 1 . 2 . 3]" 1 716 1 23 VAL HA 1 26 LEU HB2 4.490 . 4.490 2.138 1.818 2.809 . 0 0 "[ . 1 . 2 . 3]" 1 717 1 26 LEU HB2 1 79 PRO HB3 4.690 . 4.690 3.563 3.017 4.566 . 0 0 "[ . 1 . 2 . 3]" 1 718 1 26 LEU HB2 1 83 VAL MG1 5.700 . 5.700 3.975 3.060 4.373 . 0 0 "[ . 1 . 2 . 3]" 1 719 1 25 LEU HB2 1 26 LEU HB2 5.680 . 5.680 3.299 2.741 4.575 . 0 0 "[ . 1 . 2 . 3]" 1 720 1 26 LEU HB2 1 79 PRO HA 5.700 . 5.700 4.097 3.618 5.069 . 0 0 "[ . 1 . 2 . 3]" 1 721 1 39 ASP QB 1 40 VAL HA 5.530 . 5.530 3.839 3.527 4.110 . 0 0 "[ . 1 . 2 . 3]" 1 722 1 32 GLU HG2 1 39 ASP QB 5.700 . 5.700 5.237 4.844 5.732 0.032 18 0 "[ . 1 . 2 . 3]" 1 723 1 39 ASP QB 1 43 VAL MG1 5.700 . 5.700 5.719 5.393 5.907 0.207 10 0 "[ . 1 . 2 . 3]" 1 724 1 54 HIS HE1 1 56 ASP HB2 5.650 . 5.650 2.152 1.900 3.626 . 0 0 "[ . 1 . 2 . 3]" 1 725 1 56 ASP HB2 1 60 LEU HB3 5.270 . 5.270 3.203 2.417 4.849 . 0 0 "[ . 1 . 2 . 3]" 1 726 1 42 ASP HB3 1 46 GLU HG2 5.370 . 5.370 4.655 3.723 5.384 0.014 25 0 "[ . 1 . 2 . 3]" 1 727 1 56 ASP HB3 1 60 LEU HG 5.290 . 5.290 3.576 2.488 4.133 . 0 0 "[ . 1 . 2 . 3]" 1 728 1 32 GLU HB2 1 39 ASP QB 5.700 . 5.700 5.471 5.198 5.710 0.010 21 0 "[ . 1 . 2 . 3]" 1 729 1 39 ASP QB 1 40 VAL HB 5.700 . 5.700 3.817 3.347 4.376 . 0 0 "[ . 1 . 2 . 3]" 1 730 1 10 LEU MD2 1 25 LEU HB2 5.700 . 5.700 3.127 2.546 4.077 . 0 0 "[ . 1 . 2 . 3]" 1 731 1 17 TYR QE 1 25 LEU HB2 5.700 . 5.700 2.791 2.279 3.151 . 0 0 "[ . 1 . 2 . 3]" 1 732 1 22 PHE HA 1 25 LEU HB3 4.810 . 4.810 2.806 2.418 3.082 . 0 0 "[ . 1 . 2 . 3]" 1 733 1 10 LEU MD2 1 25 LEU HB3 5.700 . 5.700 3.734 3.509 4.024 . 0 0 "[ . 1 . 2 . 3]" 1 734 1 25 LEU HB2 1 26 LEU HB2 5.700 . 5.700 5.769 5.388 5.850 0.150 13 0 "[ . 1 . 2 . 3]" 1 735 1 11 LYS HB2 1 25 LEU HB3 5.700 . 5.700 5.651 5.330 5.832 0.132 18 0 "[ . 1 . 2 . 3]" 1 736 1 10 LEU HA 1 25 LEU HB3 5.700 . 5.700 5.739 5.641 5.792 0.092 4 0 "[ . 1 . 2 . 3]" 1 737 1 19 GLU HA 1 22 PHE HB2 . . 5.600 3.338 2.686 4.117 . 0 0 "[ . 1 . 2 . 3]" 1 738 1 97 GLY HA3 1 98 PHE HB2 5.700 . 5.700 4.650 4.475 4.829 . 0 0 "[ . 1 . 2 . 3]" 1 739 1 19 GLU HA 1 98 PHE HB2 5.700 . 5.700 4.155 3.567 4.553 . 0 0 "[ . 1 . 2 . 3]" 1 740 1 19 GLU HA 1 98 PHE HB3 5.700 . 5.700 3.341 2.376 3.909 . 0 0 "[ . 1 . 2 . 3]" 1 741 1 47 HIS HB2 1 48 PHE HB3 5.700 . 5.700 5.784 5.740 5.846 0.146 3 0 "[ . 1 . 2 . 3]" 1 742 1 29 ILE MD 1 48 PHE HB2 5.700 . 5.700 2.237 1.997 2.776 . 0 0 "[ . 1 . 2 . 3]" 1 743 1 18 THR HA 1 98 PHE HB2 5.600 . 5.600 4.304 3.591 4.791 . 0 0 "[ . 1 . 2 . 3]" 1 744 1 25 LEU MD1 1 48 PHE HB3 5.700 . 5.700 3.843 3.377 4.322 . 0 0 "[ . 1 . 2 . 3]" 1 745 1 29 ILE HG13 1 48 PHE HB3 5.700 . 5.700 3.861 3.658 4.019 . 0 0 "[ . 1 . 2 . 3]" 1 746 1 48 PHE HB3 1 49 VAL HA 5.700 . 5.700 4.552 4.465 4.645 . 0 0 "[ . 1 . 2 . 3]" 1 747 1 18 THR HB 1 100 GLN HA 5.700 . 5.700 4.062 2.300 5.096 . 0 0 "[ . 1 . 2 . 3]" 1 748 1 18 THR HB 1 101 GLY HA2 5.700 . 5.700 4.980 2.514 5.723 0.023 18 0 "[ . 1 . 2 . 3]" 1 749 1 48 PHE HB3 1 49 VAL MG1 5.700 . 5.700 3.892 3.656 4.149 . 0 0 "[ . 1 . 2 . 3]" 1 750 1 68 ALA MB 1 71 ASN HB2 5.700 . 5.700 4.215 3.365 5.226 . 0 0 "[ . 1 . 2 . 3]" 1 751 1 68 ALA MB 1 71 ASN HB3 5.700 . 5.700 4.626 3.613 5.303 . 0 0 "[ . 1 . 2 . 3]" 1 752 1 68 ALA HA 1 71 ASN HB3 5.470 . 5.470 4.256 2.099 4.929 . 0 0 "[ . 1 . 2 . 3]" 1 753 1 18 THR HB 1 99 LYS QE 5.700 . 5.700 5.004 3.902 5.760 0.060 19 0 "[ . 1 . 2 . 3]" 1 754 1 18 THR HB 1 19 GLU QB 5.560 . 5.560 4.830 4.033 5.196 . 0 0 "[ . 1 . 2 . 3]" 1 755 1 18 THR HB 1 20 ALA MB 4.710 . 4.710 3.411 3.138 3.826 . 0 0 "[ . 1 . 2 . 3]" 1 756 1 93 ASN HB2 1 95 LYS HG3 5.370 . 5.370 4.363 3.706 5.455 0.085 15 0 "[ . 1 . 2 . 3]" 1 757 1 93 ASN HB2 1 95 LYS HD3 5.370 . 5.370 4.869 2.926 5.422 0.052 18 0 "[ . 1 . 2 . 3]" 1 758 1 93 ASN HB3 1 95 LYS HD3 5.700 . 5.700 3.947 1.999 5.121 . 0 0 "[ . 1 . 2 . 3]" 1 759 1 90 ARG HA 1 93 ASN HB3 5.700 . 5.700 3.168 2.474 4.221 . 0 0 "[ . 1 . 2 . 3]" 1 760 1 93 ASN HB3 1 95 LYS HG3 5.700 . 5.700 2.899 2.276 4.532 . 0 0 "[ . 1 . 2 . 3]" 1 761 1 18 THR HB 1 101 GLY HA3 5.700 . 5.700 3.988 3.195 5.814 0.114 17 0 "[ . 1 . 2 . 3]" 1 762 1 30 GLU HB2 1 33 ASN QB 5.700 . 5.700 4.943 4.298 5.427 . 0 0 "[ . 1 . 2 . 3]" 1 763 1 31 LYS HA 1 33 ASN QB 5.700 . 5.700 5.146 4.541 5.642 . 0 0 "[ . 1 . 2 . 3]" 1 764 1 33 ASN QB 1 34 VAL QG 5.160 . 5.160 2.948 2.691 3.184 . 0 0 "[ . 1 . 2 . 3]" 1 765 1 37 THR HB 1 40 VAL HB 5.220 . 5.220 4.874 3.848 5.282 0.062 18 0 "[ . 1 . 2 . 3]" 1 766 1 35 ALA MB 1 37 THR HB 5.600 . 5.600 4.284 3.190 4.706 . 0 0 "[ . 1 . 2 . 3]" 1 767 1 58 THR HA 1 61 ILE HB 5.300 . 5.300 3.253 2.482 3.952 . 0 0 "[ . 1 . 2 . 3]" 1 768 1 58 THR HB 1 61 ILE HB 5.700 . 5.700 5.014 3.284 5.730 0.030 15 0 "[ . 1 . 2 . 3]" 1 769 1 51 ILE HG13 1 52 THR HB 5.060 . 5.060 2.394 1.844 3.733 . 0 0 "[ . 1 . 2 . 3]" 1 770 1 52 THR HB 1 53 GLU HG3 5.060 . 5.060 4.061 3.267 5.076 0.016 8 0 "[ . 1 . 2 . 3]" 1 771 1 52 THR HB 1 86 ILE HG13 5.700 . 5.700 4.131 3.490 5.737 0.037 5 0 "[ . 1 . 2 . 3]" 1 772 1 14 ILE MD 1 52 THR HB 5.700 . 5.700 3.597 2.673 4.748 . 0 0 "[ . 1 . 2 . 3]" 1 773 1 82 ILE HB 1 83 VAL MG1 5.700 . 5.700 4.096 3.004 4.967 . 0 0 "[ . 1 . 2 . 3]" 1 774 1 52 THR HB 1 54 HIS HB2 5.530 . 5.530 3.035 2.309 4.440 . 0 0 "[ . 1 . 2 . 3]" 1 775 1 86 ILE HB 1 98 PHE QE 5.700 . 5.700 3.355 2.835 4.254 . 0 0 "[ . 1 . 2 . 3]" 1 776 1 26 LEU HB3 1 29 ILE HB 5.430 . 5.430 4.173 3.898 4.453 . 0 0 "[ . 1 . 2 . 3]" 1 777 1 25 LEU MD2 1 29 ILE HB 5.700 . 5.700 4.372 2.592 5.268 . 0 0 "[ . 1 . 2 . 3]" 1 778 1 29 ILE HB 1 61 ILE MG 5.700 . 5.700 3.171 2.423 3.932 . 0 0 "[ . 1 . 2 . 3]" 1 779 1 22 PHE QE 1 86 ILE HB 5.700 . 5.700 3.343 2.724 4.448 . 0 0 "[ . 1 . 2 . 3]" 1 780 1 14 ILE HG12 1 86 ILE HB 5.700 . 5.700 5.710 5.330 5.878 0.178 30 0 "[ . 1 . 2 . 3]" 1 781 1 83 VAL HA 1 86 ILE HB 4.220 . 4.220 2.452 2.089 2.832 . 0 0 "[ . 1 . 2 . 3]" 1 782 1 86 ILE HB 1 98 PHE HZ 5.150 . 5.150 2.463 2.072 3.223 . 0 0 "[ . 1 . 2 . 3]" 1 783 1 26 LEU HB2 1 29 ILE HB 5.290 . 5.290 4.752 3.951 5.193 . 0 0 "[ . 1 . 2 . 3]" 1 784 1 59 ALA MB 1 62 TYR HB3 5.700 . 5.700 4.702 4.300 4.944 . 0 0 "[ . 1 . 2 . 3]" 1 785 1 27 LYS QE 1 80 GLU HG3 5.700 . 5.700 3.343 2.309 5.607 . 0 0 "[ . 1 . 2 . 3]" 1 786 1 20 ALA MB 1 21 GLU HG2 5.700 . 5.700 4.034 3.665 4.579 . 0 0 "[ . 1 . 2 . 3]" 1 787 1 79 PRO HG3 1 80 GLU HG2 5.700 . 5.700 5.617 4.199 5.758 0.058 1 0 "[ . 1 . 2 . 3]" 1 788 1 23 VAL MG1 1 80 GLU HG2 5.700 . 5.700 2.389 1.916 5.488 . 0 0 "[ . 1 . 2 . 3]" 1 789 1 23 VAL MG1 1 80 GLU HG3 5.700 . 5.700 3.734 3.258 5.575 . 0 0 "[ . 1 . 2 . 3]" 1 790 1 79 PRO HG3 1 80 GLU HG3 5.700 . 5.700 4.364 3.894 5.723 0.023 17 0 "[ . 1 . 2 . 3]" 1 791 1 23 VAL MG2 1 80 GLU HG3 5.700 . 5.700 3.644 3.193 4.274 . 0 0 "[ . 1 . 2 . 3]" 1 792 1 17 TYR QE 1 51 ILE HB 5.660 . 5.660 3.696 3.358 4.452 . 0 0 "[ . 1 . 2 . 3]" 1 793 1 14 ILE HB 1 51 ILE HB 4.850 . 4.850 2.307 1.921 2.792 . 0 0 "[ . 1 . 2 . 3]" 1 794 1 19 GLU HG2 1 23 VAL MG2 5.570 . 5.570 5.071 4.230 5.670 0.100 5 0 "[ . 1 . 2 . 3]" 1 795 1 14 ILE HB 1 17 TYR QE 5.700 . 5.700 4.624 3.780 5.191 . 0 0 "[ . 1 . 2 . 3]" 1 796 1 14 ILE HB 1 51 ILE HA 5.700 . 5.700 3.536 3.194 3.934 . 0 0 "[ . 1 . 2 . 3]" 1 797 1 14 ILE HB 1 52 THR HA 5.570 . 5.570 3.410 2.747 3.783 . 0 0 "[ . 1 . 2 . 3]" 1 798 1 14 ILE HB 1 51 ILE MD 4.820 . 4.820 3.406 2.858 3.839 . 0 0 "[ . 1 . 2 . 3]" 1 799 1 14 ILE HB 1 97 GLY HA2 5.700 . 5.700 5.227 4.519 5.766 0.066 10 0 "[ . 1 . 2 . 3]" 1 800 1 84 LYS HG2 1 88 GLU HG2 5.700 . 5.700 4.510 3.925 5.361 . 0 0 "[ . 1 . 2 . 3]" 1 801 1 84 LYS HG3 1 88 GLU HG2 5.700 . 5.700 4.656 4.072 5.367 . 0 0 "[ . 1 . 2 . 3]" 1 802 1 84 LYS HA 1 88 GLU HG3 5.700 . 5.700 3.870 3.371 4.485 . 0 0 "[ . 1 . 2 . 3]" 1 803 1 84 LYS QB 1 88 GLU HG3 5.590 . 5.590 4.666 4.329 5.343 . 0 0 "[ . 1 . 2 . 3]" 1 804 1 19 GLU HG3 1 20 ALA MB 5.700 . 5.700 3.806 3.054 4.923 . 0 0 "[ . 1 . 2 . 3]" 1 805 1 19 GLU HG2 1 20 ALA MB 5.700 . 5.700 4.471 3.198 5.029 . 0 0 "[ . 1 . 2 . 3]" 1 806 1 45 LEU MD1 1 58 THR HB 5.700 . 5.700 3.834 3.025 4.128 . 0 0 "[ . 1 . 2 . 3]" 1 807 1 58 THR HB 1 59 ALA HA 5.220 . 5.220 4.185 3.980 4.448 . 0 0 "[ . 1 . 2 . 3]" 1 808 1 45 LEU HB3 1 58 THR HB 5.240 . 5.240 3.971 3.748 4.190 . 0 0 "[ . 1 . 2 . 3]" 1 809 1 45 LEU MD2 1 58 THR HB 4.920 . 4.920 4.269 3.400 4.820 . 0 0 "[ . 1 . 2 . 3]" 1 810 1 58 THR HB 1 61 ILE MD 5.700 . 5.700 4.828 4.195 5.780 0.080 1 0 "[ . 1 . 2 . 3]" 1 811 1 49 VAL MG1 1 58 THR HB 5.670 . 5.670 5.267 4.651 5.610 . 0 0 "[ . 1 . 2 . 3]" 1 812 1 43 VAL HA 1 46 GLU HG3 5.700 . 5.700 4.023 2.524 5.006 . 0 0 "[ . 1 . 2 . 3]" 1 813 1 63 GLU HG3 1 67 ARG QB 5.700 . 5.700 4.761 4.322 5.688 . 0 0 "[ . 1 . 2 . 3]" 1 814 1 23 VAL MG1 1 83 VAL HA 5.630 . 5.630 4.862 4.597 5.839 0.209 17 0 "[ . 1 . 2 . 3]" 1 815 1 22 PHE QD 1 83 VAL HA 5.180 . 5.180 2.909 2.361 3.435 . 0 0 "[ . 1 . 2 . 3]" 1 816 1 83 VAL HA 1 98 PHE HZ 5.320 . 5.320 2.854 2.497 3.322 . 0 0 "[ . 1 . 2 . 3]" 1 817 1 83 VAL HA 1 86 ILE HA 5.700 . 5.700 5.181 4.918 5.426 . 0 0 "[ . 1 . 2 . 3]" 1 818 1 83 VAL HA 1 86 ILE HG12 4.830 . 4.830 3.324 3.010 4.285 . 0 0 "[ . 1 . 2 . 3]" 1 819 1 83 VAL HA 1 83 VAL MG1 3.680 . 3.680 2.538 2.109 2.954 . 0 0 "[ . 1 . 2 . 3]" 1 820 1 26 LEU MD1 1 83 VAL HA 3.540 . 3.540 2.577 2.046 3.131 . 0 0 "[ . 1 . 2 . 3]" 1 821 1 82 ILE MD 1 83 VAL HA 5.700 . 5.700 5.082 4.560 5.663 . 0 0 "[ . 1 . 2 . 3]" 1 822 1 83 VAL HA 1 86 ILE MG 5.020 . 5.020 3.755 3.163 4.135 . 0 0 "[ . 1 . 2 . 3]" 1 823 1 27 LYS HB3 1 28 GLU QG 5.700 . 5.700 3.913 2.801 4.573 . 0 0 "[ . 1 . 2 . 3]" 1 824 1 42 ASP HB3 1 46 GLU HG3 5.700 . 5.700 5.396 4.238 5.798 0.098 9 0 "[ . 1 . 2 . 3]" 1 825 1 45 LEU HB3 1 46 GLU HG3 5.470 . 5.470 3.347 2.968 3.637 . 0 0 "[ . 1 . 2 . 3]" 1 826 1 59 ALA HA 1 63 GLU HG3 5.700 . 5.700 5.666 4.228 5.810 0.110 10 0 "[ . 1 . 2 . 3]" 1 827 1 82 ILE HB 1 83 VAL HA 5.000 . 5.000 3.989 3.343 4.607 . 0 0 "[ . 1 . 2 . 3]" 1 828 1 30 GLU HG2 1 78 GLY HA2 5.700 . 5.700 3.889 2.942 4.929 . 0 0 "[ . 1 . 2 . 3]" 1 829 1 20 ALA HA 1 23 VAL HA 5.170 . 5.170 4.321 4.264 4.364 . 0 0 "[ . 1 . 2 . 3]" 1 830 1 23 VAL HA 1 83 VAL HB 5.270 . 5.270 4.372 3.187 5.371 0.101 20 0 "[ . 1 . 2 . 3]" 1 831 1 23 VAL HA 1 25 LEU HB2 4.380 . 4.380 3.594 2.758 4.318 . 0 0 "[ . 1 . 2 . 3]" 1 832 1 23 VAL HA 1 25 LEU HB3 4.600 . 4.600 3.187 2.107 4.639 0.039 8 0 "[ . 1 . 2 . 3]" 1 833 1 23 VAL HA 1 26 LEU HB3 4.240 . 4.240 3.372 2.468 3.675 . 0 0 "[ . 1 . 2 . 3]" 1 834 1 23 VAL HA 1 83 VAL MG1 4.560 . 4.560 3.038 2.302 3.505 . 0 0 "[ . 1 . 2 . 3]" 1 835 1 23 VAL HA 1 23 VAL MG1 3.630 . 3.630 2.538 2.421 3.107 . 0 0 "[ . 1 . 2 . 3]" 1 836 1 23 VAL HA 1 23 VAL MG2 3.530 . 3.530 2.404 1.817 3.198 . 0 0 "[ . 1 . 2 . 3]" 1 837 1 23 VAL HA 1 26 LEU MD2 5.700 . 5.700 3.494 2.527 4.160 . 0 0 "[ . 1 . 2 . 3]" 1 838 1 22 PHE QD 1 23 VAL HA 5.700 . 5.700 3.916 3.189 4.561 . 0 0 "[ . 1 . 2 . 3]" 1 839 1 28 GLU QG 1 44 LEU MD1 5.700 . 5.700 4.196 2.364 5.016 . 0 0 "[ . 1 . 2 . 3]" 1 840 1 30 GLU HG2 1 31 LYS HG3 5.700 . 5.700 5.737 5.293 5.910 0.210 2 0 "[ . 1 . 2 . 3]" 1 841 1 32 GLU HG3 1 41 LEU HA 5.700 . 5.700 4.383 3.036 5.503 . 0 0 "[ . 1 . 2 . 3]" 1 842 1 31 LYS QB 1 32 GLU HG2 5.700 . 5.700 3.857 2.666 4.466 . 0 0 "[ . 1 . 2 . 3]" 1 843 1 31 LYS HG2 1 32 GLU HG2 5.700 . 5.700 4.546 2.918 5.303 . 0 0 "[ . 1 . 2 . 3]" 1 844 1 32 GLU HG2 1 44 LEU MD1 5.700 . 5.700 2.658 2.118 3.965 . 0 0 "[ . 1 . 2 . 3]" 1 845 1 31 LYS HG2 1 32 GLU HG3 5.700 . 5.700 4.413 3.819 5.025 . 0 0 "[ . 1 . 2 . 3]" 1 846 1 32 GLU HG3 1 40 VAL MG2 5.630 . 5.630 4.208 3.533 4.724 . 0 0 "[ . 1 . 2 . 3]" 1 847 1 32 GLU HG3 1 44 LEU MD1 5.700 . 5.700 3.046 2.121 4.520 . 0 0 "[ . 1 . 2 . 3]" 1 848 1 49 VAL HA 1 51 ILE HG13 5.700 . 5.700 4.314 4.148 4.600 . 0 0 "[ . 1 . 2 . 3]" 1 849 1 48 PHE HB2 1 49 VAL HA 5.700 . 5.700 5.526 5.456 5.612 . 0 0 "[ . 1 . 2 . 3]" 1 850 1 49 VAL HA 1 52 THR HA 5.130 . 5.130 3.206 2.961 3.404 . 0 0 "[ . 1 . 2 . 3]" 1 851 1 49 VAL HA 1 50 LYS HG3 5.700 . 5.700 4.518 4.283 4.751 . 0 0 "[ . 1 . 2 . 3]" 1 852 1 46 GLU HA 1 49 VAL HA 5.680 . 5.680 3.837 3.481 4.161 . 0 0 "[ . 1 . 2 . 3]" 1 853 1 46 GLU HB3 1 49 VAL HA 5.700 . 5.700 5.751 5.622 5.853 0.153 3 0 "[ . 1 . 2 . 3]" 1 854 1 49 VAL HA 1 52 THR MG 5.700 . 5.700 3.285 2.033 3.854 . 0 0 "[ . 1 . 2 . 3]" 1 855 1 84 LYS QB 1 85 GLU QG 5.700 . 5.700 5.106 3.244 5.773 0.073 28 0 "[ . 1 . 2 . 3]" 1 856 1 29 ILE HA 1 44 LEU HB3 5.700 . 5.700 3.772 3.299 4.427 . 0 0 "[ . 1 . 2 . 3]" 1 857 1 25 LEU MD2 1 29 ILE HA 4.760 . 4.760 3.804 2.804 4.760 . 0 0 "[ . 1 . 2 . 3]" 1 858 1 29 ILE HA 1 40 VAL MG2 5.700 . 5.700 4.878 4.345 5.705 0.005 12 0 "[ . 1 . 2 . 3]" 1 859 1 29 ILE HA 1 29 ILE MD 4.640 . 4.640 3.608 3.485 3.717 . 0 0 "[ . 1 . 2 . 3]" 1 860 1 12 ASN QB 1 13 SER HB2 5.700 . 5.700 5.240 4.953 5.691 . 0 0 "[ . 1 . 2 . 3]" 1 861 1 43 VAL HA 1 46 GLU HG2 5.700 . 5.700 4.041 2.750 4.990 . 0 0 "[ . 1 . 2 . 3]" 1 862 1 43 VAL HA 1 43 VAL MG1 3.510 . 3.510 2.280 2.186 2.354 . 0 0 "[ . 1 . 2 . 3]" 1 863 1 43 VAL HA 1 43 VAL MG2 3.680 . 3.680 2.393 2.278 2.527 . 0 0 "[ . 1 . 2 . 3]" 1 864 1 40 VAL MG2 1 43 VAL HA 5.700 . 5.700 5.575 5.293 5.887 0.187 30 0 "[ . 1 . 2 . 3]" 1 865 1 43 VAL HA 1 44 LEU HA 4.890 . 4.890 4.438 4.378 4.494 . 0 0 "[ . 1 . 2 . 3]" 1 866 1 42 ASP QB 1 43 VAL HA 5.700 . 5.700 4.124 3.790 4.451 . 0 0 "[ . 1 . 2 . 3]" 1 867 1 13 SER HB2 1 15 SER QB 3.540 . 3.540 3.538 3.373 3.637 0.097 17 0 "[ . 1 . 2 . 3]" 1 868 1 13 SER HB2 1 51 ILE HA 4.770 . 4.770 4.821 4.671 4.874 0.104 17 0 "[ . 1 . 2 . 3]" 1 869 1 43 VAL HA 1 45 LEU HB2 5.700 . 5.700 5.498 5.230 5.702 0.002 17 0 "[ . 1 . 2 . 3]" 1 870 1 12 ASN QB 1 13 SER HB3 5.700 . 5.700 3.904 3.633 4.301 . 0 0 "[ . 1 . 2 . 3]" 1 871 1 22 PHE QE 1 52 THR HA 5.700 . 5.700 5.071 4.614 5.684 . 0 0 "[ . 1 . 2 . 3]" 1 872 1 51 ILE HG13 1 52 THR HA 5.700 . 5.700 3.744 3.552 4.006 . 0 0 "[ . 1 . 2 . 3]" 1 873 1 51 ILE MG 1 52 THR HA 5.690 . 5.690 5.454 5.399 5.498 . 0 0 "[ . 1 . 2 . 3]" 1 874 1 14 ILE MG 1 52 THR HA 5.700 . 5.700 3.688 3.188 4.128 . 0 0 "[ . 1 . 2 . 3]" 1 875 1 52 THR HA 1 90 ARG HD2 5.120 . 5.120 3.904 2.705 5.125 0.005 23 0 "[ . 1 . 2 . 3]" 1 876 1 52 THR HA 1 90 ARG HD3 5.560 . 5.560 3.704 2.623 5.133 . 0 0 "[ . 1 . 2 . 3]" 1 877 1 99 LYS HB3 1 100 GLN QG 5.700 . 5.700 4.902 2.997 5.398 . 0 0 "[ . 1 . 2 . 3]" 1 878 1 26 LEU HG 1 79 PRO HA 5.330 . 5.330 3.656 2.385 4.405 . 0 0 "[ . 1 . 2 . 3]" 1 879 1 79 PRO HA 1 80 GLU HG3 5.340 . 5.340 4.918 4.648 5.362 0.022 17 0 "[ . 1 . 2 . 3]" 1 880 1 79 PRO HA 1 82 ILE HG12 4.780 . 4.780 2.698 2.198 3.463 . 0 0 "[ . 1 . 2 . 3]" 1 881 1 26 LEU HB3 1 79 PRO HA 4.620 . 4.620 2.753 2.178 4.090 . 0 0 "[ . 1 . 2 . 3]" 1 882 1 23 VAL MG2 1 79 PRO HA 3.870 . 3.870 2.504 1.995 3.398 . 0 0 "[ . 1 . 2 . 3]" 1 883 1 79 PRO HA 1 82 ILE MD 3.970 . 3.970 1.982 1.675 2.224 . 0 0 "[ . 1 . 2 . 3]" 1 884 1 26 LEU MD2 1 79 PRO HA 5.700 . 5.700 3.917 2.457 5.354 . 0 0 "[ . 1 . 2 . 3]" 1 885 1 23 VAL HA 1 79 PRO HA 5.700 . 5.700 4.967 4.448 5.523 . 0 0 "[ . 1 . 2 . 3]" 1 886 1 85 GLU QG 1 86 ILE HA 5.700 . 5.700 4.382 3.431 5.412 . 0 0 "[ . 1 . 2 . 3]" 1 887 1 86 ILE HA 1 87 LYS HA 5.030 . 5.030 4.675 4.571 4.755 . 0 0 "[ . 1 . 2 . 3]" 1 888 1 99 LYS HA 1 100 GLN QG 5.700 . 5.700 4.390 3.181 5.054 . 0 0 "[ . 1 . 2 . 3]" 1 889 1 86 ILE HA 1 90 ARG HA 5.700 . 5.700 5.352 4.625 5.692 . 0 0 "[ . 1 . 2 . 3]" 1 890 1 54 HIS HD2 1 86 ILE HA 4.150 . 4.150 3.675 2.600 4.171 0.021 12 0 "[ . 1 . 2 . 3]" 1 891 1 86 ILE HA 1 89 TRP HB3 4.820 . 4.820 3.112 2.806 3.385 . 0 0 "[ . 1 . 2 . 3]" 1 892 1 86 ILE HA 1 86 ILE HG12 4.010 . 4.010 2.946 2.415 3.082 . 0 0 "[ . 1 . 2 . 3]" 1 893 1 86 ILE HA 1 86 ILE HG13 3.940 . 3.940 3.639 2.730 3.781 . 0 0 "[ . 1 . 2 . 3]" 1 894 1 86 ILE HA 1 86 ILE MD 4.300 . 4.300 2.222 1.972 3.829 . 0 0 "[ . 1 . 2 . 3]" 1 895 1 60 LEU MD1 1 86 ILE HA 5.700 . 5.700 3.530 3.259 3.780 . 0 0 "[ . 1 . 2 . 3]" 1 896 1 86 ILE HA 1 98 PHE HZ 5.700 . 5.700 5.240 4.949 5.726 0.026 18 0 "[ . 1 . 2 . 3]" 1 897 1 24 GLN QG 1 80 GLU HA 5.700 . 5.700 5.479 4.391 5.761 0.061 24 0 "[ . 1 . 2 . 3]" 1 898 1 21 GLU HA 1 24 GLN QG 4.900 . 4.900 3.441 2.105 3.971 . 0 0 "[ . 1 . 2 . 3]" 1 899 1 20 ALA MB 1 24 GLN QG 5.700 . 5.700 4.830 3.968 5.181 . 0 0 "[ . 1 . 2 . 3]" 1 900 1 23 VAL MG2 1 24 GLN QG 5.700 . 5.700 4.303 3.687 4.748 . 0 0 "[ . 1 . 2 . 3]" 1 901 1 20 ALA HA 1 24 GLN QG 5.700 . 5.700 5.602 4.233 5.783 0.083 12 0 "[ . 1 . 2 . 3]" 1 902 1 79 PRO HA 1 82 ILE HA 5.700 . 5.700 4.838 4.476 5.104 . 0 0 "[ . 1 . 2 . 3]" 1 903 1 60 LEU HB3 1 82 ILE HA 5.450 . 5.450 4.043 3.384 4.616 . 0 0 "[ . 1 . 2 . 3]" 1 904 1 82 ILE HA 1 85 GLU HA 5.700 . 5.700 5.233 4.646 5.742 0.042 29 0 "[ . 1 . 2 . 3]" 1 905 1 82 ILE HA 1 83 VAL HA 5.700 . 5.700 4.806 4.692 4.929 . 0 0 "[ . 1 . 2 . 3]" 1 906 1 82 ILE HA 1 85 GLU QG 5.150 . 5.150 3.912 1.956 5.104 . 0 0 "[ . 1 . 2 . 3]" 1 907 1 82 ILE HA 1 85 GLU HB2 4.260 . 4.260 3.009 2.269 3.819 . 0 0 "[ . 1 . 2 . 3]" 1 908 1 82 ILE HA 1 82 ILE HG12 3.980 . 3.980 3.363 2.914 3.681 . 0 0 "[ . 1 . 2 . 3]" 1 909 1 82 ILE HA 1 82 ILE MD 4.640 . 4.640 4.090 3.656 4.229 . 0 0 "[ . 1 . 2 . 3]" 1 910 1 60 LEU QD 1 82 ILE HA 5.700 . 5.700 3.574 3.134 4.114 . 0 0 "[ . 1 . 2 . 3]" 1 911 1 64 ALA MB 1 82 ILE HA 5.390 . 5.390 3.966 3.096 4.666 . 0 0 "[ . 1 . 2 . 3]" 1 912 1 24 GLN QG 1 27 LYS HB2 5.700 . 5.700 4.280 3.703 5.717 0.017 25 0 "[ . 1 . 2 . 3]" 1 913 1 39 ASP QB 1 40 VAL HA 5.600 . 5.600 3.932 3.566 4.255 . 0 0 "[ . 1 . 2 . 3]" 1 914 1 11 LYS HB2 1 17 TYR QE 5.680 . 5.680 2.441 2.217 2.722 . 0 0 "[ . 1 . 2 . 3]" 1 915 1 11 LYS HB3 1 12 ASN HD22 5.060 . 5.060 4.078 3.676 4.316 . 0 0 "[ . 1 . 2 . 3]" 1 916 1 11 LYS HB3 1 12 ASN QB 5.580 . 5.580 2.989 2.768 3.209 . 0 0 "[ . 1 . 2 . 3]" 1 917 1 11 LYS HB3 1 16 ASP HB3 5.590 . 5.590 2.031 1.865 2.376 . 0 0 "[ . 1 . 2 . 3]" 1 918 1 14 ILE HA 1 17 TYR QE 5.070 . 5.070 3.773 3.489 4.145 . 0 0 "[ . 1 . 2 . 3]" 1 919 1 14 ILE HA 1 98 PHE QE 5.700 . 5.700 4.983 4.170 5.703 0.003 10 0 "[ . 1 . 2 . 3]" 1 920 1 14 ILE HA 1 51 ILE HA 5.280 . 5.280 4.976 4.610 5.327 0.047 11 0 "[ . 1 . 2 . 3]" 1 921 1 14 ILE HA 1 17 TYR QB 4.940 . 4.940 2.533 2.169 2.862 . 0 0 "[ . 1 . 2 . 3]" 1 922 1 14 ILE HA 1 51 ILE HB 4.630 . 4.630 2.760 2.483 3.000 . 0 0 "[ . 1 . 2 . 3]" 1 923 1 14 ILE HA 1 51 ILE HG13 5.620 . 5.620 4.263 3.901 5.035 . 0 0 "[ . 1 . 2 . 3]" 1 924 1 14 ILE HA 1 14 ILE HG12 3.740 . 3.740 3.459 2.962 3.771 0.031 27 0 "[ . 1 . 2 . 3]" 1 925 1 14 ILE HA 1 14 ILE HG13 3.960 . 3.960 2.686 2.163 2.987 . 0 0 "[ . 1 . 2 . 3]" 1 926 1 14 ILE HA 1 51 ILE MD 4.170 . 4.170 2.878 2.248 3.341 . 0 0 "[ . 1 . 2 . 3]" 1 927 1 14 ILE HA 1 14 ILE MD 4.490 . 4.490 2.804 2.023 3.854 . 0 0 "[ . 1 . 2 . 3]" 1 928 1 40 VAL HA 1 41 LEU HB2 5.700 . 5.700 3.690 3.487 3.994 . 0 0 "[ . 1 . 2 . 3]" 1 929 1 40 VAL HA 1 43 VAL HB 3.780 . 3.780 2.728 2.525 3.064 . 0 0 "[ . 1 . 2 . 3]" 1 930 1 40 VAL HA 1 43 VAL MG1 4.420 . 4.420 3.881 3.712 4.141 . 0 0 "[ . 1 . 2 . 3]" 1 931 1 40 VAL HA 1 40 VAL MG1 3.670 . 3.670 2.989 2.303 3.252 . 0 0 "[ . 1 . 2 . 3]" 1 932 1 83 VAL MG2 1 87 LYS QB 5.700 . 5.700 3.898 3.025 4.700 . 0 0 "[ . 1 . 2 . 3]" 1 933 1 87 LYS QB 1 88 GLU HG3 5.700 . 5.700 4.445 4.015 4.725 . 0 0 "[ . 1 . 2 . 3]" 1 934 1 87 LYS QB 1 88 GLU HG2 5.700 . 5.700 5.019 4.595 5.331 . 0 0 "[ . 1 . 2 . 3]" 1 935 1 87 LYS QB 1 87 LYS HE2 4.360 . 4.360 3.253 2.013 4.185 . 0 0 "[ . 1 . 2 . 3]" 1 936 1 48 PHE QE 1 58 THR HA 4.440 . 4.440 3.476 3.180 3.793 . 0 0 "[ . 1 . 2 . 3]" 1 937 1 48 PHE HZ 1 58 THR HA 5.700 . 5.700 5.698 5.468 5.770 0.070 24 0 "[ . 1 . 2 . 3]" 1 938 1 58 THR HA 1 62 TYR QE 5.700 . 5.700 4.659 4.351 5.128 . 0 0 "[ . 1 . 2 . 3]" 1 939 1 48 PHE HB2 1 58 THR HA 5.350 . 5.350 5.179 4.667 5.445 0.095 13 0 "[ . 1 . 2 . 3]" 1 940 1 58 THR HA 1 60 LEU HB2 5.700 . 5.700 4.570 4.092 4.858 . 0 0 "[ . 1 . 2 . 3]" 1 941 1 45 LEU HB3 1 58 THR HA 5.290 . 5.290 4.157 3.970 4.452 . 0 0 "[ . 1 . 2 . 3]" 1 942 1 58 THR HA 1 58 THR MG 3.540 . 3.540 2.091 1.977 2.183 . 0 0 "[ . 1 . 2 . 3]" 1 943 1 49 VAL MG1 1 58 THR HA 4.830 . 4.830 4.800 4.349 4.940 0.110 12 0 "[ . 1 . 2 . 3]" 1 944 1 45 LEU MD1 1 58 THR HA 5.700 . 5.700 4.131 3.886 4.432 . 0 0 "[ . 1 . 2 . 3]" 1 945 1 45 LEU MD2 1 58 THR HA 5.000 . 5.000 3.109 2.459 3.684 . 0 0 "[ . 1 . 2 . 3]" 1 946 1 58 THR HA 1 60 LEU MD1 5.130 . 5.130 3.961 3.379 4.723 . 0 0 "[ . 1 . 2 . 3]" 1 947 1 58 THR HA 1 61 ILE MG 5.700 . 5.700 4.620 3.909 5.189 . 0 0 "[ . 1 . 2 . 3]" 1 948 1 58 THR HA 1 61 ILE MD 4.680 . 4.680 2.622 1.938 4.339 . 0 0 "[ . 1 . 2 . 3]" 1 949 1 58 THR HA 1 59 ALA HA 5.380 . 5.380 4.787 4.465 4.905 . 0 0 "[ . 1 . 2 . 3]" 1 950 1 87 LYS QB 1 88 GLU HB2 5.440 . 5.440 5.080 4.779 5.425 . 0 0 "[ . 1 . 2 . 3]" 1 951 1 90 ARG HG2 1 96 PRO HB2 5.700 . 5.700 5.356 4.459 5.707 0.007 6 0 "[ . 1 . 2 . 3]" 1 952 1 79 PRO HB3 1 82 ILE HG12 5.090 . 5.090 4.880 4.435 5.153 0.063 26 0 "[ . 1 . 2 . 3]" 1 953 1 78 GLY HA3 1 79 PRO HB3 5.470 . 5.470 5.370 4.782 5.594 0.124 16 0 "[ . 1 . 2 . 3]" 1 954 1 81 GLY HA3 1 84 LYS QB 5.120 . 5.120 3.567 3.170 4.045 . 0 0 "[ . 1 . 2 . 3]" 1 955 1 18 THR HA 1 99 LYS HB2 5.570 . 5.570 4.624 2.027 5.262 . 0 0 "[ . 1 . 2 . 3]" 1 956 1 90 ARG HG2 1 95 LYS HB2 4.830 . 4.830 3.666 1.940 4.502 . 0 0 "[ . 1 . 2 . 3]" 1 957 1 14 ILE MG 1 95 LYS HB2 5.700 . 5.700 4.560 3.209 5.299 . 0 0 "[ . 1 . 2 . 3]" 1 958 1 18 THR HA 1 99 LYS HB3 5.460 . 5.460 4.398 2.149 5.027 . 0 0 "[ . 1 . 2 . 3]" 1 959 1 99 LYS HB3 1 99 LYS QE 5.060 . 5.060 3.168 2.060 3.933 . 0 0 "[ . 1 . 2 . 3]" 1 960 1 72 PRO HA 1 73 GLY QA 4.740 . 4.740 4.177 3.893 4.332 . 0 0 "[ . 1 . 2 . 3]" 1 961 1 70 ALA MB 1 72 PRO HA 5.280 . 5.280 4.949 3.937 5.379 0.099 20 0 "[ . 1 . 2 . 3]" 1 962 1 71 ASN HB3 1 72 PRO HA 5.700 . 5.700 5.282 4.731 5.866 0.166 11 0 "[ . 1 . 2 . 3]" 1 963 1 79 PRO HB3 1 80 GLU HG3 5.210 . 5.210 4.441 3.978 5.112 . 0 0 "[ . 1 . 2 . 3]" 1 964 1 23 VAL HA 1 79 PRO HB3 5.240 . 5.240 4.672 3.993 5.167 . 0 0 "[ . 1 . 2 . 3]" 1 965 1 26 LEU HB3 1 79 PRO HB3 4.580 . 4.580 2.693 2.175 3.140 . 0 0 "[ . 1 . 2 . 3]" 1 966 1 23 VAL MG2 1 79 PRO HB3 4.520 . 4.520 4.151 3.289 4.607 0.087 24 0 "[ . 1 . 2 . 3]" 1 967 1 27 LYS HG2 1 79 PRO HB3 5.700 . 5.700 2.880 2.520 3.468 . 0 0 "[ . 1 . 2 . 3]" 1 968 1 79 PRO HB3 1 82 ILE MD 5.700 . 5.700 3.327 2.834 3.635 . 0 0 "[ . 1 . 2 . 3]" 1 969 1 84 LYS QB 1 87 LYS HG2 5.140 . 5.140 4.068 3.900 4.501 . 0 0 "[ . 1 . 2 . 3]" 1 970 1 47 HIS HA 1 50 LYS HB2 4.990 . 4.990 4.688 3.816 4.995 0.005 4 0 "[ . 1 . 2 . 3]" 1 971 1 50 LYS HB2 1 51 ILE MG 5.700 . 5.700 4.342 4.187 4.734 . 0 0 "[ . 1 . 2 . 3]" 1 972 1 26 LEU MD2 1 79 PRO HB2 5.700 . 5.700 4.027 3.091 4.400 . 0 0 "[ . 1 . 2 . 3]" 1 973 1 23 VAL HA 1 79 PRO HB2 5.580 . 5.580 3.622 2.761 4.443 . 0 0 "[ . 1 . 2 . 3]" 1 974 1 46 GLU QB 1 50 LYS HB3 4.530 . 4.530 3.851 3.586 4.347 . 0 0 "[ . 1 . 2 . 3]" 1 975 1 26 LEU HB3 1 79 PRO HB2 5.260 . 5.260 3.091 2.464 3.497 . 0 0 "[ . 1 . 2 . 3]" 1 976 1 23 VAL MG1 1 79 PRO HB2 5.700 . 5.700 4.150 3.452 4.693 . 0 0 "[ . 1 . 2 . 3]" 1 977 1 23 VAL MG2 1 79 PRO HB2 4.470 . 4.470 3.569 2.149 4.098 . 0 0 "[ . 1 . 2 . 3]" 1 978 1 18 THR MG 1 99 LYS HB3 4.990 . 4.990 4.293 1.952 4.716 . 0 0 "[ . 1 . 2 . 3]" 1 979 1 99 LYS HB3 1 100 GLN HB2 5.700 . 5.700 5.800 5.740 5.853 0.153 11 0 "[ . 1 . 2 . 3]" 1 980 1 23 VAL MG1 1 79 PRO HB3 5.700 . 5.700 5.471 4.882 5.752 0.052 6 0 "[ . 1 . 2 . 3]" 1 981 1 26 LEU HG 1 79 PRO HB3 5.700 . 5.700 4.537 2.241 5.202 . 0 0 "[ . 1 . 2 . 3]" 1 982 1 31 LYS QB 1 34 VAL HA 5.700 . 5.700 4.717 4.538 5.361 . 0 0 "[ . 1 . 2 . 3]" 1 983 1 29 ILE HA 1 31 LYS QB 5.700 . 5.700 4.695 4.306 5.528 . 0 0 "[ . 1 . 2 . 3]" 1 984 1 31 LYS QB 1 32 GLU HB2 5.380 . 5.380 3.920 3.573 4.412 . 0 0 "[ . 1 . 2 . 3]" 1 985 1 30 GLU HB2 1 31 LYS QB 4.420 . 4.420 3.532 2.791 4.291 . 0 0 "[ . 1 . 2 . 3]" 1 986 1 90 ARG HA 1 95 LYS HB2 5.590 . 5.590 2.576 2.231 4.280 . 0 0 "[ . 1 . 2 . 3]" 1 987 1 90 ARG HA 1 95 LYS HB3 5.240 . 5.240 3.944 2.929 4.300 . 0 0 "[ . 1 . 2 . 3]" 1 988 1 95 LYS HB3 1 96 PRO HD3 5.620 . 5.620 3.940 2.941 5.207 . 0 0 "[ . 1 . 2 . 3]" 1 989 1 52 THR HA 1 54 HIS HB2 5.390 . 5.390 2.964 2.303 4.178 . 0 0 "[ . 1 . 2 . 3]" 1 990 1 54 HIS HB2 1 60 LEU MD1 5.700 . 5.700 3.672 3.118 4.131 . 0 0 "[ . 1 . 2 . 3]" 1 991 1 49 VAL HB 1 50 LYS HG3 5.700 . 5.700 4.183 3.052 4.642 . 0 0 "[ . 1 . 2 . 3]" 1 992 1 43 VAL HB 1 44 LEU HA 5.700 . 5.700 3.662 3.500 3.827 . 0 0 "[ . 1 . 2 . 3]" 1 993 1 40 VAL HB 1 43 VAL HB 4.990 . 4.990 4.737 4.510 5.090 0.100 19 0 "[ . 1 . 2 . 3]" 1 994 1 43 VAL HB 1 44 LEU HB2 4.700 . 4.700 4.475 4.327 4.634 . 0 0 "[ . 1 . 2 . 3]" 1 995 1 54 HIS HB3 1 60 LEU MD1 5.700 . 5.700 3.436 2.634 3.863 . 0 0 "[ . 1 . 2 . 3]" 1 996 1 52 THR HA 1 54 HIS HB3 5.500 . 5.500 3.129 2.939 3.497 . 0 0 "[ . 1 . 2 . 3]" 1 997 1 40 VAL HB 1 44 LEU MD1 5.700 . 5.700 4.494 3.879 5.178 . 0 0 "[ . 1 . 2 . 3]" 1 998 1 46 GLU HA 1 49 VAL HB 4.200 . 4.200 4.288 4.250 4.346 0.146 21 0 "[ . 1 . 2 . 3]" 1 999 1 40 VAL HB 1 44 LEU HG 5.700 . 5.700 4.729 4.367 5.195 . 0 0 "[ . 1 . 2 . 3]" 1 1000 1 37 THR HB 1 40 VAL HB 5.700 . 5.700 4.836 3.839 5.229 . 0 0 "[ . 1 . 2 . 3]" 1 1001 1 40 VAL HB 1 41 LEU HB2 5.410 . 5.410 4.468 4.010 4.904 . 0 0 "[ . 1 . 2 . 3]" 1 1002 1 34 VAL HB 1 35 ALA HA 5.280 . 5.280 4.652 4.550 4.801 . 0 0 "[ . 1 . 2 . 3]" 1 1003 1 72 PRO HB2 1 73 GLY QA 5.700 . 5.700 4.087 3.449 4.680 . 0 0 "[ . 1 . 2 . 3]" 1 1004 1 11 LYS HB2 1 21 GLU HB3 5.700 . 5.700 5.781 5.716 5.866 0.166 14 0 "[ . 1 . 2 . 3]" 1 1005 1 49 VAL HB 1 50 LYS HA 5.700 . 5.700 5.722 5.687 5.758 0.058 6 0 "[ . 1 . 2 . 3]" 1 1006 1 32 GLU HG2 1 40 VAL HB 4.870 . 4.870 4.711 4.118 5.069 0.199 18 0 "[ . 1 . 2 . 3]" 1 1007 1 32 GLU HB2 1 40 VAL HB 4.470 . 4.470 4.552 4.453 4.698 0.228 27 0 "[ . 1 . 2 . 3]" 1 1008 1 27 LYS HB3 1 28 GLU HB3 5.010 . 5.010 5.014 4.564 5.234 0.224 12 0 "[ . 1 . 2 . 3]" 1 1009 1 14 ILE MG 1 96 PRO HA 5.700 . 5.700 4.989 4.221 5.445 . 0 0 "[ . 1 . 2 . 3]" 1 1010 1 96 PRO HA 1 97 GLY HA2 5.230 . 5.230 4.349 4.296 4.394 . 0 0 "[ . 1 . 2 . 3]" 1 1011 1 96 PRO HA 1 97 GLY HA3 5.260 . 5.260 4.328 4.252 4.388 . 0 0 "[ . 1 . 2 . 3]" 1 1012 1 90 ARG HG2 1 96 PRO HA 4.880 . 4.880 4.668 4.414 4.973 0.093 6 0 "[ . 1 . 2 . 3]" 1 1013 1 90 ARG HB3 1 96 PRO HA 5.550 . 5.550 5.313 4.418 5.647 0.097 24 0 "[ . 1 . 2 . 3]" 1 1014 1 25 LEU MD2 1 29 ILE HG12 5.700 . 5.700 3.821 3.014 4.442 . 0 0 "[ . 1 . 2 . 3]" 1 1015 1 29 ILE HG12 1 44 LEU HB3 5.570 . 5.570 1.893 1.784 2.231 . 0 0 "[ . 1 . 2 . 3]" 1 1016 1 18 THR MG 1 21 GLU HB2 5.700 . 5.700 3.483 3.108 3.896 . 0 0 "[ . 1 . 2 . 3]" 1 1017 1 29 ILE HG13 1 44 LEU HB3 5.330 . 5.330 3.396 2.835 3.652 . 0 0 "[ . 1 . 2 . 3]" 1 1018 1 25 LEU HB2 1 29 ILE HG13 5.390 . 5.390 4.260 3.815 4.561 . 0 0 "[ . 1 . 2 . 3]" 1 1019 1 88 GLU HB2 1 89 TRP HA 5.700 . 5.700 4.377 4.186 4.613 . 0 0 "[ . 1 . 2 . 3]" 1 1020 1 14 ILE MG 1 15 SER QB 5.700 . 5.700 3.560 2.812 4.301 . 0 0 "[ . 1 . 2 . 3]" 1 1021 1 11 LYS HE2 1 21 GLU HB3 5.240 . 5.240 2.825 2.207 3.227 . 0 0 "[ . 1 . 2 . 3]" 1 1022 1 23 VAL HB 1 24 GLN HA 5.700 . 5.700 4.901 4.597 5.795 0.095 17 0 "[ . 1 . 2 . 3]" 1 1023 1 11 LYS QG 1 21 GLU HB3 5.700 . 5.700 3.088 1.889 3.339 . 0 0 "[ . 1 . 2 . 3]" 1 1024 1 83 VAL HB 1 84 LYS QB 5.530 . 5.530 5.162 4.711 5.425 . 0 0 "[ . 1 . 2 . 3]" 1 1025 1 82 ILE MD 1 83 VAL HB 5.700 . 5.700 5.478 4.678 5.924 0.224 20 0 "[ . 1 . 2 . 3]" 1 1026 1 81 GLY HA2 1 83 VAL HB 5.700 . 5.700 5.858 5.800 5.894 0.194 25 0 "[ . 1 . 2 . 3]" 1 1027 1 29 ILE HG12 1 44 LEU HG 4.340 . 4.340 4.246 3.993 4.395 0.055 15 0 "[ . 1 . 2 . 3]" 1 1028 1 29 ILE HG13 1 40 VAL MG2 5.700 . 5.700 4.534 4.093 5.070 . 0 0 "[ . 1 . 2 . 3]" 1 1029 1 29 ILE HG13 1 31 LYS QB 5.700 . 5.700 4.401 3.900 4.725 . 0 0 "[ . 1 . 2 . 3]" 1 1030 1 88 GLU HB3 1 89 TRP HA 5.510 . 5.510 4.549 4.250 4.829 . 0 0 "[ . 1 . 2 . 3]" 1 1031 1 89 TRP HA 1 92 ALA MB 4.100 . 4.100 2.827 2.477 3.379 . 0 0 "[ . 1 . 2 . 3]" 1 1032 1 54 HIS HD2 1 89 TRP HA 5.700 . 5.700 5.028 4.720 5.503 . 0 0 "[ . 1 . 2 . 3]" 1 1033 1 15 SER QB 1 96 PRO HB3 5.340 . 5.340 5.012 3.645 5.414 0.074 22 0 "[ . 1 . 2 . 3]" 1 1034 1 13 SER HB3 1 15 SER QB 4.970 . 4.970 4.630 4.347 5.001 0.031 17 0 "[ . 1 . 2 . 3]" 1 1035 1 15 SER QB 1 96 PRO HB2 5.700 . 5.700 4.186 2.727 5.640 . 0 0 "[ . 1 . 2 . 3]" 1 1036 1 17 TYR QB 1 21 GLU HB2 5.700 . 5.700 3.710 3.096 4.344 . 0 0 "[ . 1 . 2 . 3]" 1 1037 1 17 TYR QB 1 21 GLU HB3 5.700 . 5.700 4.119 3.657 4.433 . 0 0 "[ . 1 . 2 . 3]" 1 1038 1 20 ALA MB 1 21 GLU HB3 5.700 . 5.700 4.904 4.863 4.958 . 0 0 "[ . 1 . 2 . 3]" 1 1039 1 34 VAL HA 1 36 ALA MB 5.700 . 5.700 3.991 3.747 4.259 . 0 0 "[ . 1 . 2 . 3]" 1 1040 1 31 LYS HG3 1 34 VAL HA 5.700 . 5.700 4.880 4.079 5.601 . 0 0 "[ . 1 . 2 . 3]" 1 1041 1 58 THR HA 1 61 ILE HA 5.700 . 5.700 5.452 4.781 5.746 0.046 22 0 "[ . 1 . 2 . 3]" 1 1042 1 60 LEU HB2 1 61 ILE HA 5.080 . 5.080 3.976 3.563 4.241 . 0 0 "[ . 1 . 2 . 3]" 1 1043 1 61 ILE HA 1 64 ALA MB 4.260 . 4.260 2.565 2.259 3.006 . 0 0 "[ . 1 . 2 . 3]" 1 1044 1 61 ILE HA 1 82 ILE MG 4.860 . 4.860 2.864 2.308 3.793 . 0 0 "[ . 1 . 2 . 3]" 1 1045 1 61 ILE HA 1 61 ILE HG12 3.510 . 3.510 2.447 2.152 2.778 . 0 0 "[ . 1 . 2 . 3]" 1 1046 1 26 LEU MD2 1 61 ILE HA 5.570 . 5.570 4.310 3.863 4.973 . 0 0 "[ . 1 . 2 . 3]" 1 1047 1 60 LEU MD1 1 61 ILE HA 3.860 . 3.860 2.770 2.408 3.681 . 0 0 "[ . 1 . 2 . 3]" 1 1048 1 61 ILE HA 1 61 ILE MD 4.660 . 4.660 3.440 1.893 3.871 . 0 0 "[ . 1 . 2 . 3]" 1 1049 1 26 LEU MD1 1 61 ILE HA 5.660 . 5.660 5.224 3.291 5.804 0.144 21 0 "[ . 1 . 2 . 3]" 1 1050 1 89 TRP HA 1 90 ARG HA 5.700 . 5.700 4.700 4.546 4.817 . 0 0 "[ . 1 . 2 . 3]" 1 1051 1 33 ASN QB 1 34 VAL HA 5.400 . 5.400 4.155 3.824 4.348 . 0 0 "[ . 1 . 2 . 3]" 1 1052 1 34 VAL HA 1 35 ALA MB 5.700 . 5.700 4.943 4.768 5.009 . 0 0 "[ . 1 . 2 . 3]" 1 1053 1 47 HIS HD2 1 48 PHE HA 5.700 . 5.700 3.261 2.923 3.884 . 0 0 "[ . 1 . 2 . 3]" 1 1054 1 44 LEU HA 1 48 PHE HA 5.700 . 5.700 5.073 4.969 5.201 . 0 0 "[ . 1 . 2 . 3]" 1 1055 1 17 TYR QE 1 48 PHE HA 4.990 . 4.990 3.385 2.876 3.656 . 0 0 "[ . 1 . 2 . 3]" 1 1056 1 48 PHE HA 1 50 LYS QD 5.260 . 5.260 5.002 4.777 5.183 . 0 0 "[ . 1 . 2 . 3]" 1 1057 1 48 PHE HA 1 51 ILE HG12 4.420 . 4.420 2.531 2.243 2.704 . 0 0 "[ . 1 . 2 . 3]" 1 1058 1 25 LEU MD1 1 48 PHE HA 5.010 . 5.010 3.559 2.952 4.009 . 0 0 "[ . 1 . 2 . 3]" 1 1059 1 60 LEU HA 1 61 ILE HA 5.350 . 5.350 4.657 4.562 4.741 . 0 0 "[ . 1 . 2 . 3]" 1 1060 1 63 GLU HB3 1 67 ARG QB 4.380 . 4.380 3.873 2.705 4.444 0.064 17 0 "[ . 1 . 2 . 3]" 1 1061 1 14 ILE HA 1 51 ILE HA 5.540 . 5.540 4.216 4.093 4.331 . 0 0 "[ . 1 . 2 . 3]" 1 1062 1 14 ILE HB 1 51 ILE HA 4.810 . 4.810 3.360 3.043 3.683 . 0 0 "[ . 1 . 2 . 3]" 1 1063 1 63 GLU HB2 1 67 ARG QB 4.460 . 4.460 4.430 4.112 4.634 0.174 20 0 "[ . 1 . 2 . 3]" 1 1064 1 65 ALA HA 1 67 ARG QB 5.700 . 5.700 3.814 3.715 3.918 . 0 0 "[ . 1 . 2 . 3]" 1 1065 1 67 ARG QB 1 68 ALA MB 5.550 . 5.550 3.865 3.689 4.105 . 0 0 "[ . 1 . 2 . 3]" 1 1066 1 50 LYS QB 1 51 ILE HA 5.670 . 5.670 4.496 4.356 4.612 . 0 0 "[ . 1 . 2 . 3]" 1 1067 1 51 ILE HA 1 52 THR MG 5.700 . 5.700 4.921 4.781 5.231 . 0 0 "[ . 1 . 2 . 3]" 1 1068 1 50 LYS HB3 1 51 ILE HA 5.700 . 5.700 5.554 4.860 5.690 . 0 0 "[ . 1 . 2 . 3]" 1 1069 1 51 ILE HA 1 53 GLU HG3 5.700 . 5.700 4.435 3.507 5.582 . 0 0 "[ . 1 . 2 . 3]" 1 1070 1 17 TYR QD 1 22 PHE HA 5.380 . 5.380 2.511 2.250 2.783 . 0 0 "[ . 1 . 2 . 3]" 1 1071 1 22 PHE HA 1 23 VAL MG2 5.590 . 5.590 3.655 2.939 4.628 . 0 0 "[ . 1 . 2 . 3]" 1 1072 1 17 TYR QB 1 22 PHE HA 5.580 . 5.580 3.798 3.193 4.210 . 0 0 "[ . 1 . 2 . 3]" 1 1073 1 22 PHE HA 1 25 LEU HB2 3.790 . 3.790 3.616 3.216 3.820 0.030 7 0 "[ . 1 . 2 . 3]" 1 1074 1 19 GLU HA 1 22 PHE HA 5.390 . 5.390 4.275 3.931 4.481 . 0 0 "[ . 1 . 2 . 3]" 1 1075 1 17 TYR QE 1 22 PHE HA 4.740 . 4.740 2.889 2.499 3.550 . 0 0 "[ . 1 . 2 . 3]" 1 1076 1 21 GLU HB3 1 22 PHE HA 5.700 . 5.700 3.946 3.649 4.168 . 0 0 "[ . 1 . 2 . 3]" 1 1077 1 22 PHE HA 1 25 LEU HB3 4.020 . 4.020 2.767 2.398 3.079 . 0 0 "[ . 1 . 2 . 3]" 1 1078 1 22 PHE HA 1 25 LEU MD1 4.930 . 4.930 4.007 3.346 4.459 . 0 0 "[ . 1 . 2 . 3]" 1 1079 1 10 LEU MD1 1 47 HIS HB2 5.700 . 5.700 3.612 3.222 3.913 . 0 0 "[ . 1 . 2 . 3]" 1 1080 1 10 LEU MD1 1 47 HIS HB3 5.640 . 5.640 3.310 3.048 3.583 . 0 0 "[ . 1 . 2 . 3]" 1 1081 1 43 VAL MG2 1 47 HIS HB3 5.700 . 5.700 5.780 5.736 5.848 0.148 21 0 "[ . 1 . 2 . 3]" 1 1082 1 25 LEU MD2 1 47 HIS HB2 5.700 . 5.700 4.539 4.144 5.062 . 0 0 "[ . 1 . 2 . 3]" 1 1083 1 84 LYS QB 1 87 LYS QD 5.700 . 5.700 3.997 3.230 4.571 . 0 0 "[ . 1 . 2 . 3]" 1 1084 1 83 VAL MG2 1 87 LYS QD 5.330 . 5.330 3.778 2.671 5.001 . 0 0 "[ . 1 . 2 . 3]" 1 1085 1 87 LYS QD 1 98 PHE QE 5.700 . 5.700 3.454 2.213 4.624 . 0 0 "[ . 1 . 2 . 3]" 1 1086 1 27 LYS HB3 1 30 GLU QB 5.320 . 5.320 3.842 3.143 4.224 . 0 0 "[ . 1 . 2 . 3]" 1 1087 1 30 GLU HB3 1 79 PRO HB2 5.550 . 5.550 4.770 2.893 5.593 0.043 11 0 "[ . 1 . 2 . 3]" 1 1088 1 58 THR HB 1 62 TYR HA 5.450 . 5.450 4.535 4.413 4.679 . 0 0 "[ . 1 . 2 . 3]" 1 1089 1 30 GLU HB3 1 31 LYS QB 4.400 . 4.400 4.302 3.715 4.652 0.252 26 0 "[ . 1 . 2 . 3]" 1 1090 1 16 ASP HB3 1 99 LYS QD 5.700 . 5.700 4.476 4.068 5.185 . 0 0 "[ . 1 . 2 . 3]" 1 1091 1 62 TYR HA 1 62 TYR QD 4.140 . 4.140 2.658 2.041 3.024 . 0 0 "[ . 1 . 2 . 3]" 1 1092 1 62 TYR HA 1 62 TYR QE 5.690 . 5.690 4.386 4.181 4.545 . 0 0 "[ . 1 . 2 . 3]" 1 1093 1 61 ILE HA 1 62 TYR HA 5.700 . 5.700 4.726 4.588 4.876 . 0 0 "[ . 1 . 2 . 3]" 1 1094 1 62 TYR HA 1 65 ALA MB 4.260 . 4.260 3.042 2.765 3.247 . 0 0 "[ . 1 . 2 . 3]" 1 1095 1 58 THR MG 1 62 TYR HA 5.440 . 5.440 4.094 3.748 4.381 . 0 0 "[ . 1 . 2 . 3]" 1 1096 1 61 ILE MG 1 62 TYR HA 4.840 . 4.840 3.256 2.857 3.691 . 0 0 "[ . 1 . 2 . 3]" 1 1097 1 28 GLU HA 1 30 GLU HB3 5.700 . 5.700 3.984 3.763 4.932 . 0 0 "[ . 1 . 2 . 3]" 1 1098 1 9 GLU HB3 1 10 LEU HA 5.700 . 5.700 4.813 4.452 5.758 0.058 14 0 "[ . 1 . 2 . 3]" 1 1099 1 81 GLY HA3 1 84 LYS QD 5.700 . 5.700 4.307 3.441 5.299 . 0 0 "[ . 1 . 2 . 3]" 1 1100 1 88 GLU HB3 1 89 TRP HA 5.380 . 5.380 3.926 3.673 4.314 . 0 0 "[ . 1 . 2 . 3]" 1 1101 1 46 GLU HB3 1 47 HIS HA 5.700 . 5.700 4.575 3.852 5.741 0.041 24 0 "[ . 1 . 2 . 3]" 1 1102 1 99 LYS HB3 1 100 GLN HB3 5.700 . 5.700 5.085 4.315 5.413 . 0 0 "[ . 1 . 2 . 3]" 1 1103 1 31 LYS QD 1 34 VAL MG1 5.700 . 5.700 4.907 4.110 5.708 0.008 4 0 "[ . 1 . 2 . 3]" 1 1104 1 78 GLY HA2 1 80 GLU HA 5.670 . 5.670 4.576 4.465 4.685 . 0 0 "[ . 1 . 2 . 3]" 1 1105 1 80 GLU HA 1 80 GLU HG2 4.330 . 4.330 2.585 2.394 3.357 . 0 0 "[ . 1 . 2 . 3]" 1 1106 1 80 GLU HA 1 83 VAL HB 4.150 . 4.150 4.253 4.118 4.398 0.248 5 0 "[ . 1 . 2 . 3]" 1 1107 1 80 GLU HA 1 83 VAL MG1 4.520 . 4.520 2.444 2.031 3.535 . 0 0 "[ . 1 . 2 . 3]" 1 1108 1 23 VAL MG1 1 80 GLU HA 4.480 . 4.480 2.388 2.072 3.851 . 0 0 "[ . 1 . 2 . 3]" 1 1109 1 23 VAL MG2 1 80 GLU HA 4.490 . 4.490 2.791 1.831 3.848 . 0 0 "[ . 1 . 2 . 3]" 1 1110 1 32 GLU HB2 1 40 VAL HB 4.970 . 4.970 4.069 3.718 4.619 . 0 0 "[ . 1 . 2 . 3]" 1 1111 1 32 GLU HB2 1 35 ALA MB 4.860 . 4.860 3.964 3.058 4.385 . 0 0 "[ . 1 . 2 . 3]" 1 1112 1 32 GLU HB2 1 44 LEU MD1 5.700 . 5.700 3.155 2.236 4.421 . 0 0 "[ . 1 . 2 . 3]" 1 1113 1 43 VAL HA 1 46 GLU QB 4.580 . 4.580 3.693 3.095 4.653 0.073 30 0 "[ . 1 . 2 . 3]" 1 1114 1 32 GLU HB2 1 34 VAL MG2 5.700 . 5.700 3.883 3.151 4.491 . 0 0 "[ . 1 . 2 . 3]" 1 1115 1 43 VAL HA 1 46 GLU HB3 4.520 . 4.520 4.501 4.394 4.599 0.079 12 0 "[ . 1 . 2 . 3]" 1 1116 1 32 GLU HB3 1 44 LEU MD1 5.700 . 5.700 3.829 3.057 4.786 . 0 0 "[ . 1 . 2 . 3]" 1 1117 1 19 GLU QB 1 98 PHE HB3 5.400 . 5.400 3.631 2.666 5.194 . 0 0 "[ . 1 . 2 . 3]" 1 1118 1 75 ASP QB 1 84 LYS QD 5.700 . 5.700 3.513 2.016 4.906 . 0 0 "[ . 1 . 2 . 3]" 1 1119 1 31 LYS HA 1 31 LYS QD 4.610 . 4.610 3.147 1.965 4.287 . 0 0 "[ . 1 . 2 . 3]" 1 1120 1 80 GLU HA 1 82 ILE MD 5.700 . 5.700 5.351 4.418 5.717 0.017 24 0 "[ . 1 . 2 . 3]" 1 1121 1 80 GLU HA 1 82 ILE HG12 5.700 . 5.700 5.420 4.525 5.818 0.118 12 0 "[ . 1 . 2 . 3]" 1 1122 1 89 TRP HZ3 1 90 ARG HA 5.490 . 5.490 3.782 3.493 4.352 . 0 0 "[ . 1 . 2 . 3]" 1 1123 1 19 GLU HA 1 22 PHE QB 4.200 . 4.200 2.723 2.362 3.273 . 0 0 "[ . 1 . 2 . 3]" 1 1124 1 19 GLU HA 1 19 GLU HG3 4.150 . 4.150 3.856 3.682 4.204 0.054 8 0 "[ . 1 . 2 . 3]" 1 1125 1 19 GLU HA 1 19 GLU HG2 4.240 . 4.240 3.682 3.110 4.259 0.019 18 0 "[ . 1 . 2 . 3]" 1 1126 1 19 GLU HA 1 83 VAL MG2 5.070 . 5.070 3.814 2.481 5.127 0.057 10 0 "[ . 1 . 2 . 3]" 1 1127 1 31 LYS QB 1 32 GLU HB3 4.760 . 4.760 4.351 3.759 4.899 0.139 26 0 "[ . 1 . 2 . 3]" 1 1128 1 32 GLU HB3 1 41 LEU MD2 5.550 . 5.550 3.699 2.393 5.579 0.029 20 0 "[ . 1 . 2 . 3]" 1 1129 1 60 LEU MD1 1 86 ILE HG13 5.700 . 5.700 3.607 2.448 3.901 . 0 0 "[ . 1 . 2 . 3]" 1 1130 1 36 ALA MB 1 37 THR HA 5.700 . 5.700 4.287 4.124 4.440 . 0 0 "[ . 1 . 2 . 3]" 1 1131 1 36 ALA HA 1 37 THR HA 4.940 . 4.940 4.394 4.265 4.558 . 0 0 "[ . 1 . 2 . 3]" 1 1132 1 37 THR HA 1 37 THR MG 3.730 . 3.730 2.374 2.172 2.629 . 0 0 "[ . 1 . 2 . 3]" 1 1133 1 86 ILE HA 1 89 TRP HB2 . . 5.600 3.513 3.195 3.900 . 0 0 "[ . 1 . 2 . 3]" 1 1134 1 90 ARG HA 1 95 LYS HD3 5.360 . 5.360 4.229 3.336 4.999 . 0 0 "[ . 1 . 2 . 3]" 1 1135 1 90 ARG HA 1 90 ARG HD3 5.190 . 5.190 3.530 2.098 4.525 . 0 0 "[ . 1 . 2 . 3]" 1 1136 1 90 ARG HA 1 95 LYS HB3 4.290 . 4.290 3.844 2.908 4.173 . 0 0 "[ . 1 . 2 . 3]" 1 1137 1 90 ARG HA 1 95 LYS HG3 5.620 . 5.620 4.625 4.055 5.629 0.009 15 0 "[ . 1 . 2 . 3]" 1 1138 1 19 GLU HA 1 98 PHE HZ 5.700 . 5.700 5.017 4.126 5.648 . 0 0 "[ . 1 . 2 . 3]" 1 1139 1 19 GLU HA 1 20 ALA HA 5.470 . 5.470 4.399 4.287 4.517 . 0 0 "[ . 1 . 2 . 3]" 1 1140 1 32 GLU HB2 1 41 LEU MD1 5.700 . 5.700 3.888 3.140 4.567 . 0 0 "[ . 1 . 2 . 3]" 1 1141 1 82 ILE HA 1 85 GLU HB3 5.100 . 5.100 3.196 2.320 4.467 . 0 0 "[ . 1 . 2 . 3]" 1 1142 1 28 GLU HB3 1 29 ILE MD 5.700 . 5.700 4.109 3.367 5.711 0.011 6 0 "[ . 1 . 2 . 3]" 1 1143 1 60 LEU MD1 1 86 ILE HG12 5.700 . 5.700 2.712 1.961 2.966 . 0 0 "[ . 1 . 2 . 3]" 1 1144 1 22 PHE QE 1 86 ILE HG12 5.700 . 5.700 3.030 2.777 3.697 . 0 0 "[ . 1 . 2 . 3]" 1 1145 1 89 TRP HZ3 1 95 LYS HD2 5.700 . 5.700 3.045 1.936 4.846 . 0 0 "[ . 1 . 2 . 3]" 1 1146 1 89 TRP HZ3 1 95 LYS HD3 5.700 . 5.700 3.190 2.511 4.291 . 0 0 "[ . 1 . 2 . 3]" 1 1147 1 90 ARG HA 1 95 LYS HD3 5.640 . 5.640 3.359 2.672 4.304 . 0 0 "[ . 1 . 2 . 3]" 1 1148 1 52 THR HA 1 86 ILE HG13 5.700 . 5.700 4.049 3.439 5.595 . 0 0 "[ . 1 . 2 . 3]" 1 1149 1 11 LYS HA 1 11 LYS HD2 5.700 . 5.700 2.394 2.102 2.707 . 0 0 "[ . 1 . 2 . 3]" 1 1150 1 11 LYS HD3 1 16 ASP HB3 5.700 . 5.700 4.239 4.105 4.350 . 0 0 "[ . 1 . 2 . 3]" 1 1151 1 11 LYS HD3 1 17 TYR QE 5.700 . 5.700 4.215 3.224 4.564 . 0 0 "[ . 1 . 2 . 3]" 1 1152 1 10 LEU MD1 1 11 LYS HD3 5.700 . 5.700 5.239 4.764 5.427 . 0 0 "[ . 1 . 2 . 3]" 1 1153 1 18 THR HA 1 98 PHE QD 5.700 . 5.700 4.563 3.458 5.116 . 0 0 "[ . 1 . 2 . 3]" 1 1154 1 18 THR HA 1 99 LYS HA 5.460 . 5.460 4.628 3.825 4.994 . 0 0 "[ . 1 . 2 . 3]" 1 1155 1 17 TYR QB 1 18 THR HA 4.140 . 4.140 3.800 3.399 4.009 . 0 0 "[ . 1 . 2 . 3]" 1 1156 1 18 THR HA 1 19 GLU HA 5.260 . 5.260 4.259 4.128 4.434 . 0 0 "[ . 1 . 2 . 3]" 1 1157 1 18 THR HA 1 98 PHE HB3 4.980 . 4.980 2.946 2.236 3.427 . 0 0 "[ . 1 . 2 . 3]" 1 1158 1 18 THR HA 1 19 GLU QB 5.700 . 5.700 4.688 4.303 5.006 . 0 0 "[ . 1 . 2 . 3]" 1 1159 1 18 THR HA 1 99 LYS QD 5.190 . 5.190 4.231 3.884 4.936 . 0 0 "[ . 1 . 2 . 3]" 1 1160 1 18 THR HA 1 19 GLU HG3 5.700 . 5.700 5.378 4.440 5.811 0.111 26 0 "[ . 1 . 2 . 3]" 1 1161 1 18 THR HA 1 99 LYS QG 3.640 . 3.640 2.542 2.165 3.834 0.194 17 0 "[ . 1 . 2 . 3]" 1 1162 1 18 THR HA 1 18 THR MG 3.430 . 3.430 2.467 2.364 2.589 . 0 0 "[ . 1 . 2 . 3]" 1 1163 1 18 THR HA 1 100 GLN HA 5.700 . 5.700 4.078 3.497 5.042 . 0 0 "[ . 1 . 2 . 3]" 1 1164 1 18 THR HA 1 22 PHE HB2 5.660 . 5.660 4.276 3.716 4.708 . 0 0 "[ . 1 . 2 . 3]" 1 1165 1 89 TRP HB3 1 90 ARG HG3 5.700 . 5.700 5.531 4.396 5.841 0.141 7 0 "[ . 1 . 2 . 3]" 1 1166 1 54 HIS HB2 1 89 TRP HB3 5.700 . 5.700 4.776 4.454 5.230 . 0 0 "[ . 1 . 2 . 3]" 1 1167 1 28 GLU HB2 1 44 LEU MD1 5.590 . 5.590 3.198 2.713 3.859 . 0 0 "[ . 1 . 2 . 3]" 1 1168 1 25 LEU MD2 1 28 GLU HB3 5.450 . 5.450 3.708 3.346 4.235 . 0 0 "[ . 1 . 2 . 3]" 1 1169 1 25 LEU MD1 1 28 GLU HB3 5.260 . 5.260 3.079 2.241 4.662 . 0 0 "[ . 1 . 2 . 3]" 1 1170 1 28 GLU HB3 1 29 ILE HG12 5.700 . 5.700 3.619 3.189 4.381 . 0 0 "[ . 1 . 2 . 3]" 1 1171 1 28 GLU HB3 1 31 LYS QD 5.430 . 5.430 4.575 3.497 5.336 . 0 0 "[ . 1 . 2 . 3]" 1 1172 1 23 VAL MG2 1 27 LYS QD 5.420 . 5.420 3.468 2.441 4.109 . 0 0 "[ . 1 . 2 . 3]" 1 1173 1 24 GLN HA 1 27 LYS QD 5.110 . 5.110 2.892 2.236 3.877 . 0 0 "[ . 1 . 2 . 3]" 1 1174 1 27 LYS HA 1 27 LYS QD 5.000 . 5.000 3.943 3.785 4.242 . 0 0 "[ . 1 . 2 . 3]" 1 1175 1 60 LEU HB2 1 86 ILE HG13 5.700 . 5.700 5.304 4.717 5.632 . 0 0 "[ . 1 . 2 . 3]" 1 1176 1 83 VAL HA 1 84 LYS HA 5.700 . 5.700 4.760 4.660 4.841 . 0 0 "[ . 1 . 2 . 3]" 1 1177 1 84 LYS HA 1 88 GLU HG2 5.700 . 5.700 5.324 4.873 5.708 0.008 29 0 "[ . 1 . 2 . 3]" 1 1178 1 53 GLU QB 1 54 HIS HA 5.700 . 5.700 3.873 3.013 4.239 . 0 0 "[ . 1 . 2 . 3]" 1 1179 1 25 LEU HB2 1 28 GLU HB2 5.700 . 5.700 4.735 4.481 5.436 . 0 0 "[ . 1 . 2 . 3]" 1 1180 1 25 LEU MD2 1 28 GLU HB2 5.700 . 5.700 4.341 2.453 5.708 0.008 18 0 "[ . 1 . 2 . 3]" 1 1181 1 63 GLU HB2 1 67 ARG HD3 5.700 . 5.700 3.178 2.418 5.110 . 0 0 "[ . 1 . 2 . 3]" 1 1182 1 59 ALA MB 1 63 GLU HB2 5.350 . 5.350 3.805 3.575 4.109 . 0 0 "[ . 1 . 2 . 3]" 1 1183 1 63 GLU HB2 1 67 ARG QB 5.440 . 5.440 3.894 3.556 4.431 . 0 0 "[ . 1 . 2 . 3]" 1 1184 1 59 ALA MB 1 63 GLU HB3 5.010 . 5.010 3.872 3.677 4.184 . 0 0 "[ . 1 . 2 . 3]" 1 1185 1 63 GLU HB3 1 67 ARG QB 5.700 . 5.700 5.128 3.417 5.445 . 0 0 "[ . 1 . 2 . 3]" 1 1186 1 84 LYS HA 1 87 LYS HG2 4.690 . 4.690 2.082 1.827 2.754 . 0 0 "[ . 1 . 2 . 3]" 1 1187 1 84 LYS HA 1 87 LYS QD 4.150 . 4.150 2.594 1.924 3.193 . 0 0 "[ . 1 . 2 . 3]" 1 1188 1 84 LYS HA 1 84 LYS QE 4.130 . 4.130 3.593 2.060 4.214 0.084 13 0 "[ . 1 . 2 . 3]" 1 1189 1 83 VAL HB 1 84 LYS HA 5.500 . 5.500 5.018 4.203 5.549 0.049 6 0 "[ . 1 . 2 . 3]" 1 1190 1 84 LYS HA 1 87 LYS QB 3.440 . 3.440 3.478 2.804 3.653 0.213 28 0 "[ . 1 . 2 . 3]" 1 1191 1 84 LYS HA 1 84 LYS QD 4.220 . 4.220 4.085 3.936 4.249 0.029 25 0 "[ . 1 . 2 . 3]" 1 1192 1 84 LYS HA 1 87 LYS HG3 5.190 . 5.190 3.640 3.254 4.179 . 0 0 "[ . 1 . 2 . 3]" 1 1193 1 84 LYS HA 1 84 LYS HG2 3.760 . 3.760 3.163 2.971 3.409 . 0 0 "[ . 1 . 2 . 3]" 1 1194 1 84 LYS HA 1 84 LYS HG3 4.140 . 4.140 2.669 2.487 2.847 . 0 0 "[ . 1 . 2 . 3]" 1 1195 1 83 VAL MG2 1 84 LYS HA 4.870 . 4.870 3.389 3.200 3.860 . 0 0 "[ . 1 . 2 . 3]" 1 1196 1 53 GLU QB 1 54 HIS HB2 5.700 . 5.700 5.041 4.881 5.133 . 0 0 "[ . 1 . 2 . 3]" 1 1197 1 63 GLU HB3 1 67 ARG HD3 5.520 . 5.520 4.637 2.483 5.638 0.118 14 0 "[ . 1 . 2 . 3]" 1 1198 1 87 LYS HA 1 98 PHE QD 5.700 . 5.700 4.210 3.192 5.042 . 0 0 "[ . 1 . 2 . 3]" 1 1199 1 87 LYS HA 1 90 ARG HA 5.650 . 5.650 4.970 4.138 5.430 . 0 0 "[ . 1 . 2 . 3]" 1 1200 1 87 LYS HA 1 88 GLU HB2 5.520 . 5.520 4.459 3.830 5.354 . 0 0 "[ . 1 . 2 . 3]" 1 1201 1 14 ILE MD 1 87 LYS HA 5.700 . 5.700 5.115 4.044 5.763 0.063 3 0 "[ . 1 . 2 . 3]" 1 1202 1 64 ALA HA 1 67 ARG HG2 5.700 . 5.700 4.902 4.395 5.514 . 0 0 "[ . 1 . 2 . 3]" 1 1203 1 87 LYS HA 1 90 ARG HB3 5.700 . 5.700 3.542 2.940 5.586 . 0 0 "[ . 1 . 2 . 3]" 1 1204 1 61 ILE HA 1 82 ILE HG13 5.700 . 5.700 5.436 4.421 5.743 0.043 13 0 "[ . 1 . 2 . 3]" 1 1205 1 64 ALA HA 1 82 ILE HG13 5.700 . 5.700 4.899 4.406 5.639 . 0 0 "[ . 1 . 2 . 3]" 1 1206 1 44 LEU HA 1 47 HIS HA 5.490 . 5.490 5.031 4.784 5.322 . 0 0 "[ . 1 . 2 . 3]" 1 1207 1 87 LYS HA 1 98 PHE HZ 5.700 . 5.700 4.554 3.987 5.142 . 0 0 "[ . 1 . 2 . 3]" 1 1208 1 87 LYS HA 1 98 PHE QE 4.880 . 4.880 3.422 2.324 4.036 . 0 0 "[ . 1 . 2 . 3]" 1 1209 1 87 LYS HA 1 87 LYS HG2 3.820 . 3.820 2.997 2.473 3.507 . 0 0 "[ . 1 . 2 . 3]" 1 1210 1 87 LYS HA 1 87 LYS HG3 3.910 . 3.910 3.134 2.837 3.724 . 0 0 "[ . 1 . 2 . 3]" 1 1211 1 86 ILE MG 1 87 LYS HA 4.740 . 4.740 3.067 2.847 3.342 . 0 0 "[ . 1 . 2 . 3]" 1 1212 1 87 LYS HA 1 87 LYS HE2 5.010 . 5.010 4.502 3.481 5.030 0.020 27 0 "[ . 1 . 2 . 3]" 1 1213 1 80 GLU HB2 1 81 GLY QA 5.700 . 5.700 4.259 3.847 4.437 . 0 0 "[ . 1 . 2 . 3]" 1 1214 1 80 GLU HB3 1 81 GLY QA 5.600 . 5.600 4.440 4.314 4.670 . 0 0 "[ . 1 . 2 . 3]" 1 1215 1 87 LYS HA 1 90 ARG HB2 . . 5.600 3.169 2.509 4.026 . 0 0 "[ . 1 . 2 . 3]" 1 1216 1 90 ARG HB2 1 95 LYS HB3 5.700 . 5.700 5.145 4.365 5.720 0.020 13 0 "[ . 1 . 2 . 3]" 1 1217 1 90 ARG HB3 1 95 LYS HB3 5.690 . 5.690 4.649 3.013 5.528 . 0 0 "[ . 1 . 2 . 3]" 1 1218 1 63 GLU HB3 1 67 ARG HG3 5.520 . 5.520 4.456 2.675 5.039 . 0 0 "[ . 1 . 2 . 3]" 1 1219 1 26 LEU MD1 1 61 ILE HG12 5.370 . 5.370 4.361 2.045 5.380 0.010 15 0 "[ . 1 . 2 . 3]" 1 1220 1 46 GLU HG3 1 47 HIS HA 5.700 . 5.700 5.131 3.617 5.833 0.133 11 0 "[ . 1 . 2 . 3]" 1 1221 1 47 HIS HA 1 50 LYS HB3 3.810 . 3.810 3.592 2.378 3.828 0.018 16 0 "[ . 1 . 2 . 3]" 1 1222 1 10 LEU MD1 1 47 HIS HA 5.320 . 5.320 3.595 3.397 3.733 . 0 0 "[ . 1 . 2 . 3]" 1 1223 1 47 HIS HA 1 50 LYS QE 5.520 . 5.520 3.509 1.918 5.089 . 0 0 "[ . 1 . 2 . 3]" 1 1224 1 47 HIS HA 1 50 LYS QD 5.280 . 5.280 2.339 1.978 3.161 . 0 0 "[ . 1 . 2 . 3]" 1 1225 1 47 HIS HA 1 50 LYS HG2 5.700 . 5.700 2.292 1.996 3.672 . 0 0 "[ . 1 . 2 . 3]" 1 1226 1 47 HIS HA 1 50 LYS HG3 5.700 . 5.700 3.791 3.498 4.960 . 0 0 "[ . 1 . 2 . 3]" 1 1227 1 43 VAL MG2 1 47 HIS HA 5.700 . 5.700 5.768 5.721 5.806 0.106 9 0 "[ . 1 . 2 . 3]" 1 1228 1 87 LYS HA 1 91 ALA MB 5.700 . 5.700 4.337 3.966 4.713 . 0 0 "[ . 1 . 2 . 3]" 1 1229 1 63 GLU HB2 1 67 ARG HG2 5.700 . 5.700 4.363 3.756 5.640 . 0 0 "[ . 1 . 2 . 3]" 1 1230 1 67 ARG HG2 1 68 ALA MB 5.700 . 5.700 5.035 4.478 5.472 . 0 0 "[ . 1 . 2 . 3]" 1 1231 1 66 ALA MB 1 67 ARG HG3 4.990 . 4.990 3.245 3.021 3.567 . 0 0 "[ . 1 . 2 . 3]" 1 1232 1 79 PRO HB2 1 82 ILE HG13 5.700 . 5.700 4.701 3.785 5.773 0.073 26 0 "[ . 1 . 2 . 3]" 1 1233 1 29 ILE HB 1 82 ILE HG13 5.700 . 5.700 5.284 4.336 5.806 0.106 2 0 "[ . 1 . 2 . 3]" 1 1234 1 64 ALA MB 1 82 ILE HG13 5.590 . 5.590 3.951 3.325 5.010 . 0 0 "[ . 1 . 2 . 3]" 1 1235 1 48 PHE HZ 1 61 ILE HG12 5.700 . 5.700 4.879 3.837 5.711 0.011 25 0 "[ . 1 . 2 . 3]" 1 1236 1 14 ILE HG12 1 22 PHE QE 5.700 . 5.700 4.433 3.721 4.895 . 0 0 "[ . 1 . 2 . 3]" 1 1237 1 43 VAL HA 1 46 GLU HA 5.700 . 5.700 5.595 5.508 5.703 0.003 17 0 "[ . 1 . 2 . 3]" 1 1238 1 26 LEU HA 1 61 ILE HG12 5.700 . 5.700 3.949 2.498 4.303 . 0 0 "[ . 1 . 2 . 3]" 1 1239 1 29 ILE MD 1 61 ILE HG12 5.700 . 5.700 2.987 2.269 3.917 . 0 0 "[ . 1 . 2 . 3]" 1 1240 1 26 LEU MD2 1 61 ILE HG12 5.700 . 5.700 2.584 1.878 3.688 . 0 0 "[ . 1 . 2 . 3]" 1 1241 1 26 LEU HA 1 61 ILE HG13 5.700 . 5.700 3.902 3.376 4.495 . 0 0 "[ . 1 . 2 . 3]" 1 1242 1 45 LEU MD1 1 61 ILE HG13 5.700 . 5.700 3.564 2.171 4.661 . 0 0 "[ . 1 . 2 . 3]" 1 1243 1 26 LEU MD2 1 61 ILE HG13 5.700 . 5.700 3.303 2.084 4.019 . 0 0 "[ . 1 . 2 . 3]" 1 1244 1 29 ILE MD 1 61 ILE HG13 5.700 . 5.700 3.531 2.491 4.286 . 0 0 "[ . 1 . 2 . 3]" 1 1245 1 84 LYS QD 1 85 GLU HA 5.700 . 5.700 5.147 4.594 5.737 0.037 30 0 "[ . 1 . 2 . 3]" 1 1246 1 84 LYS HG3 1 85 GLU HA 5.700 . 5.700 5.235 4.740 5.591 . 0 0 "[ . 1 . 2 . 3]" 1 1247 1 60 LEU MD2 1 85 GLU HA 5.700 . 5.700 5.243 4.778 5.704 0.004 22 0 "[ . 1 . 2 . 3]" 1 1248 1 85 GLU HA 1 88 GLU HG2 5.620 . 5.620 5.364 4.912 5.712 0.092 13 0 "[ . 1 . 2 . 3]" 1 1249 1 85 GLU HA 1 85 GLU QG 3.770 . 3.770 2.750 2.192 3.019 . 0 0 "[ . 1 . 2 . 3]" 1 1250 1 84 LYS QB 1 85 GLU HA 5.340 . 5.340 4.196 4.052 4.353 . 0 0 "[ . 1 . 2 . 3]" 1 1251 1 46 GLU HA 1 46 GLU HG2 4.080 . 4.080 3.281 2.849 4.141 0.061 8 0 "[ . 1 . 2 . 3]" 1 1252 1 46 GLU HA 1 49 VAL MG1 4.420 . 4.420 2.016 1.914 2.164 . 0 0 "[ . 1 . 2 . 3]" 1 1253 1 45 LEU MD1 1 46 GLU HA 5.420 . 5.420 4.411 4.239 4.521 . 0 0 "[ . 1 . 2 . 3]" 1 1254 1 84 LYS HA 1 85 GLU HA 5.590 . 5.590 4.832 4.618 4.952 . 0 0 "[ . 1 . 2 . 3]" 1 1255 1 84 LYS HG2 1 85 GLU HA 5.700 . 5.700 3.739 3.249 4.194 . 0 0 "[ . 1 . 2 . 3]" 1 1256 1 26 LEU HA 1 28 GLU HA 5.700 . 5.700 5.814 5.748 5.857 0.157 10 0 "[ . 1 . 2 . 3]" 1 1257 1 88 GLU HA 1 88 GLU HG2 4.210 . 4.210 2.486 2.315 2.561 . 0 0 "[ . 1 . 2 . 3]" 1 1258 1 88 GLU HA 1 88 GLU HG3 3.540 . 3.540 3.102 2.941 3.271 . 0 0 "[ . 1 . 2 . 3]" 1 1259 1 28 GLU HA 1 31 LYS HG2 5.150 . 5.150 4.196 2.309 5.020 . 0 0 "[ . 1 . 2 . 3]" 1 1260 1 88 GLU HA 1 91 ALA MB 3.870 . 3.870 2.698 2.261 3.043 . 0 0 "[ . 1 . 2 . 3]" 1 1261 1 46 GLU HA 1 50 LYS HG3 5.330 . 5.330 4.015 3.589 4.307 . 0 0 "[ . 1 . 2 . 3]" 1 1262 1 43 VAL HA 1 46 GLU HA 5.690 . 5.690 5.318 5.241 5.375 . 0 0 "[ . 1 . 2 . 3]" 1 1263 1 28 GLU HA 1 29 ILE HA 5.700 . 5.700 4.514 4.421 4.581 . 0 0 "[ . 1 . 2 . 3]" 1 1264 1 46 GLU HA 1 47 HIS HA 5.700 . 5.700 4.772 4.674 4.850 . 0 0 "[ . 1 . 2 . 3]" 1 1265 1 27 LYS HA 1 79 PRO HA 4.900 . 4.900 4.740 4.318 4.967 0.067 28 0 "[ . 1 . 2 . 3]" 1 1266 1 27 LYS HA 1 79 PRO HB3 4.600 . 4.600 2.615 2.174 2.989 . 0 0 "[ . 1 . 2 . 3]" 1 1267 1 27 LYS HA 1 27 LYS HG2 3.850 . 3.850 2.471 2.295 2.661 . 0 0 "[ . 1 . 2 . 3]" 1 1268 1 27 LYS HA 1 27 LYS HG3 3.820 . 3.820 3.149 2.991 3.376 . 0 0 "[ . 1 . 2 . 3]" 1 1269 1 26 LEU HA 1 27 LYS HA 5.500 . 5.500 4.009 3.774 4.249 . 0 0 "[ . 1 . 2 . 3]" 1 1270 1 50 LYS HA 1 50 LYS HG2 4.210 . 4.210 3.851 3.676 3.972 . 0 0 "[ . 1 . 2 . 3]" 1 1271 1 49 VAL MG2 1 50 LYS HA 4.960 . 4.960 3.806 3.603 3.955 . 0 0 "[ . 1 . 2 . 3]" 1 1272 1 27 LYS HA 1 79 PRO HG2 4.740 . 4.740 4.295 3.379 4.771 0.031 26 0 "[ . 1 . 2 . 3]" 1 1273 1 14 ILE HG13 1 15 SER HA 5.700 . 5.700 4.800 4.054 5.705 0.005 10 0 "[ . 1 . 2 . 3]" 1 1274 1 15 SER HA 1 98 PHE HA 4.820 . 4.820 3.955 2.776 4.691 . 0 0 "[ . 1 . 2 . 3]" 1 1275 1 15 SER HA 1 17 TYR QB 5.700 . 5.700 4.612 4.118 4.976 . 0 0 "[ . 1 . 2 . 3]" 1 1276 1 14 ILE MG 1 15 SER HA 5.220 . 5.220 3.089 2.923 3.460 . 0 0 "[ . 1 . 2 . 3]" 1 1277 1 15 SER HA 1 99 LYS HB3 5.700 . 5.700 3.581 3.160 4.702 . 0 0 "[ . 1 . 2 . 3]" 1 1278 1 28 GLU HA 1 31 LYS QD 4.450 . 4.450 2.735 1.964 3.719 . 0 0 "[ . 1 . 2 . 3]" 1 1279 1 28 GLU HA 1 31 LYS QE 4.670 . 4.670 3.278 1.857 4.711 0.041 16 0 "[ . 1 . 2 . 3]" 1 1280 1 25 LEU MD1 1 28 GLU HA 5.700 . 5.700 4.192 3.737 4.601 . 0 0 "[ . 1 . 2 . 3]" 1 1281 1 23 VAL MG2 1 27 LYS HA 5.700 . 5.700 5.115 4.257 5.463 . 0 0 "[ . 1 . 2 . 3]" 1 1282 1 26 LEU HB3 1 27 LYS HA 5.250 . 5.250 4.239 3.926 4.498 . 0 0 "[ . 1 . 2 . 3]" 1 1283 1 23 VAL MG2 1 27 LYS HA 5.700 . 5.700 3.619 3.139 4.837 . 0 0 "[ . 1 . 2 . 3]" 1 1284 1 26 LEU HA 1 27 LYS HA 5.650 . 5.650 4.630 4.494 4.729 . 0 0 "[ . 1 . 2 . 3]" 1 1285 1 30 GLU HA 1 30 GLU HB2 3.140 . 3.140 2.752 2.267 2.993 . 0 0 "[ . 1 . 2 . 3]" 1 1286 1 29 ILE MG 1 30 GLU HA 4.840 . 4.840 3.605 3.410 3.818 . 0 0 "[ . 1 . 2 . 3]" 1 1287 1 30 GLU HA 1 62 TYR HA 5.700 . 5.700 5.638 5.041 5.775 0.075 13 0 "[ . 1 . 2 . 3]" 1 1288 1 50 LYS HA 1 51 ILE HA 4.970 . 4.970 4.562 4.493 4.615 . 0 0 "[ . 1 . 2 . 3]" 1 1289 1 24 GLN HB2 1 27 LYS HB2 5.700 . 5.700 5.281 4.306 5.476 . 0 0 "[ . 1 . 2 . 3]" 1 1290 1 72 PRO QG 1 73 GLY QA 5.590 . 5.590 4.614 3.795 5.606 0.016 18 0 "[ . 1 . 2 . 3]" 1 1291 1 10 LEU MD2 1 25 LEU HG 5.170 . 5.170 2.257 2.008 2.870 . 0 0 "[ . 1 . 2 . 3]" 1 1292 1 15 SER HA 1 16 ASP HA 5.680 . 5.680 4.523 4.430 4.595 . 0 0 "[ . 1 . 2 . 3]" 1 1293 1 15 SER HA 1 99 LYS HA 5.310 . 5.310 4.983 4.346 5.320 0.010 11 0 "[ . 1 . 2 . 3]" 1 1294 1 15 SER HA 1 99 LYS HB2 5.700 . 5.700 5.154 4.128 5.458 . 0 0 "[ . 1 . 2 . 3]" 1 1295 1 30 GLU HA 1 33 ASN QB 3.710 . 3.710 2.593 2.038 3.024 . 0 0 "[ . 1 . 2 . 3]" 1 1296 1 30 GLU HA 1 30 GLU HG2 4.100 . 4.100 2.913 2.390 4.042 . 0 0 "[ . 1 . 2 . 3]" 1 1297 1 30 GLU HA 1 61 ILE MG 5.700 . 5.700 3.488 2.648 4.691 . 0 0 "[ . 1 . 2 . 3]" 1 1298 1 21 GLU HA 1 24 GLN HB2 4.620 . 4.620 3.389 2.576 4.350 . 0 0 "[ . 1 . 2 . 3]" 1 1299 1 21 GLU HA 1 24 GLN HB3 4.600 . 4.600 2.895 2.372 4.083 . 0 0 "[ . 1 . 2 . 3]" 1 1300 1 14 ILE MG 1 96 PRO HG2 5.700 . 5.700 3.904 2.623 5.026 . 0 0 "[ . 1 . 2 . 3]" 1 1301 1 14 ILE MG 1 96 PRO HG3 5.700 . 5.700 5.102 3.918 5.750 0.050 19 0 "[ . 1 . 2 . 3]" 1 1302 1 27 LYS HA 1 79 PRO HG3 5.600 . 5.600 2.852 2.330 3.281 . 0 0 "[ . 1 . 2 . 3]" 1 1303 1 25 LEU HG 1 26 LEU HA 5.700 . 5.700 4.560 3.178 5.830 0.130 6 0 "[ . 1 . 2 . 3]" 1 1304 1 22 PHE HA 1 25 LEU HG 5.700 . 5.700 4.421 3.982 4.676 . 0 0 "[ . 1 . 2 . 3]" 1 1305 1 22 PHE QD 1 26 LEU MD1 5.700 . 5.700 2.888 2.073 5.292 . 0 0 "[ . 1 . 2 . 3]" 1 1306 1 18 THR HA 1 98 PHE HA 5.700 . 5.700 4.400 3.899 4.787 . 0 0 "[ . 1 . 2 . 3]" 1 1307 1 98 PHE HA 1 98 PHE QE 5.700 . 5.700 4.530 4.262 4.699 . 0 0 "[ . 1 . 2 . 3]" 1 1308 1 28 GLU HA 1 32 GLU HG3 4.890 . 4.890 4.245 2.837 5.085 0.195 8 0 "[ . 1 . 2 . 3]" 1 1309 1 67 ARG HA 1 67 ARG HG3 3.710 . 3.710 2.867 2.645 3.019 . 0 0 "[ . 1 . 2 . 3]" 1 1310 1 31 LYS HA 1 32 GLU HA 5.330 . 5.330 4.601 4.391 4.758 . 0 0 "[ . 1 . 2 . 3]" 1 1311 1 67 ARG HA 1 67 ARG HD2 5.120 . 5.120 4.771 4.506 4.858 . 0 0 "[ . 1 . 2 . 3]" 1 1312 1 67 ARG HA 1 67 ARG HD3 4.910 . 4.910 4.614 4.379 4.864 . 0 0 "[ . 1 . 2 . 3]" 1 1313 1 31 LYS HA 1 31 LYS HG3 3.670 . 3.670 2.811 2.399 3.685 0.015 30 0 "[ . 1 . 2 . 3]" 1 1314 1 23 VAL MG2 1 24 GLN HA 4.820 . 4.820 3.229 3.066 3.971 . 0 0 "[ . 1 . 2 . 3]" 1 1315 1 24 GLN HA 1 24 GLN QG 3.940 . 3.940 2.590 2.270 3.558 . 0 0 "[ . 1 . 2 . 3]" 1 1316 1 24 GLN HA 1 28 GLU QG 5.700 . 5.700 4.324 3.983 5.366 . 0 0 "[ . 1 . 2 . 3]" 1 1317 1 24 GLN HA 1 27 LYS HB2 3.620 . 3.620 2.910 2.635 3.132 . 0 0 "[ . 1 . 2 . 3]" 1 1318 1 24 GLN HA 1 27 LYS HB3 4.450 . 4.450 4.468 4.218 4.549 0.099 17 0 "[ . 1 . 2 . 3]" 1 1319 1 24 GLN HA 1 27 LYS QD 3.900 . 3.900 2.851 2.224 3.684 . 0 0 "[ . 1 . 2 . 3]" 1 1320 1 20 ALA MB 1 24 GLN HA 5.220 . 5.220 3.055 2.414 3.554 . 0 0 "[ . 1 . 2 . 3]" 1 1321 1 27 LYS HG3 1 79 PRO HG2 5.700 . 5.700 3.447 2.937 3.986 . 0 0 "[ . 1 . 2 . 3]" 1 1322 1 67 ARG HA 1 72 PRO QG 5.700 . 5.700 3.663 2.699 4.115 . 0 0 "[ . 1 . 2 . 3]" 1 1323 1 27 LYS QE 1 79 PRO HG2 5.530 . 5.530 3.110 2.117 5.277 . 0 0 "[ . 1 . 2 . 3]" 1 1324 1 23 VAL MG2 1 79 PRO HG2 5.580 . 5.580 4.791 3.477 5.506 . 0 0 "[ . 1 . 2 . 3]" 1 1325 1 27 LYS HG3 1 79 PRO HG2 5.700 . 5.700 3.481 2.998 4.017 . 0 0 "[ . 1 . 2 . 3]" 1 1326 1 79 PRO HG2 1 80 GLU HG3 5.700 . 5.700 2.686 2.251 3.930 . 0 0 "[ . 1 . 2 . 3]" 1 1327 1 78 GLY HA3 1 79 PRO HG3 5.610 . 5.610 4.699 4.222 5.017 . 0 0 "[ . 1 . 2 . 3]" 1 1328 1 23 VAL MG2 1 79 PRO HG3 5.700 . 5.700 5.103 4.143 5.402 . 0 0 "[ . 1 . 2 . 3]" 1 1329 1 27 LYS HG2 1 79 PRO HG3 5.700 . 5.700 2.032 1.763 2.972 . 0 0 "[ . 1 . 2 . 3]" 1 1330 1 27 LYS QE 1 79 PRO HG3 5.700 . 5.700 3.608 2.588 4.925 . 0 0 "[ . 1 . 2 . 3]" 1 1331 1 22 PHE QE 1 26 LEU MD1 5.700 . 5.700 2.647 2.167 3.382 . 0 0 "[ . 1 . 2 . 3]" 1 1332 1 26 LEU MD1 1 79 PRO HB3 5.080 . 5.080 4.422 3.901 5.148 0.068 28 0 "[ . 1 . 2 . 3]" 1 1333 1 25 LEU HB2 1 26 LEU MD1 5.700 . 5.700 3.974 3.332 4.954 . 0 0 "[ . 1 . 2 . 3]" 1 1334 1 26 LEU MD1 1 83 VAL MG1 5.260 . 5.260 2.708 1.716 4.414 . 0 0 "[ . 1 . 2 . 3]" 1 1335 1 23 VAL MG1 1 26 LEU MD1 5.700 . 5.700 3.731 2.413 5.742 0.042 26 0 "[ . 1 . 2 . 3]" 1 1336 1 26 LEU MD1 1 79 PRO HA 5.260 . 5.260 3.790 2.905 5.280 0.020 5 0 "[ . 1 . 2 . 3]" 1 1337 1 23 VAL HA 1 26 LEU MD1 5.130 . 5.130 2.817 1.879 4.914 . 0 0 "[ . 1 . 2 . 3]" 1 1338 1 26 LEU MD1 1 61 ILE HG12 5.500 . 5.500 2.551 1.730 3.635 . 0 0 "[ . 1 . 2 . 3]" 1 1339 1 97 GLY HA3 1 98 PHE HA 5.650 . 5.650 4.354 4.233 4.475 . 0 0 "[ . 1 . 2 . 3]" 1 1340 1 14 ILE HG12 1 98 PHE HA 5.700 . 5.700 3.823 2.827 4.904 . 0 0 "[ . 1 . 2 . 3]" 1 1341 1 14 ILE MG 1 98 PHE HA 4.840 . 4.840 4.179 3.527 4.739 . 0 0 "[ . 1 . 2 . 3]" 1 1342 1 14 ILE MD 1 98 PHE HA 5.700 . 5.700 4.011 3.386 4.486 . 0 0 "[ . 1 . 2 . 3]" 1 1343 1 98 PHE HA 1 99 LYS HA 5.530 . 5.530 4.324 4.250 4.392 . 0 0 "[ . 1 . 2 . 3]" 1 1344 1 98 PHE HA 1 99 LYS HB3 5.700 . 5.700 3.826 3.663 4.542 . 0 0 "[ . 1 . 2 . 3]" 1 1345 1 14 ILE HG13 1 98 PHE HA 4.610 . 4.610 3.531 2.424 4.475 . 0 0 "[ . 1 . 2 . 3]" 1 1346 1 31 LYS HA 1 34 VAL MG2 4.410 . 4.410 2.595 1.876 3.903 . 0 0 "[ . 1 . 2 . 3]" 1 1347 1 27 LYS HG2 1 79 PRO HG2 5.700 . 5.700 2.674 2.215 3.134 . 0 0 "[ . 1 . 2 . 3]" 1 1348 1 56 ASP HB2 1 60 LEU HG 5.680 . 5.680 3.215 2.421 4.898 . 0 0 "[ . 1 . 2 . 3]" 1 1349 1 60 LEU HG 1 86 ILE HG12 5.700 . 5.700 5.529 4.834 5.775 0.075 17 0 "[ . 1 . 2 . 3]" 1 1350 1 59 ALA MB 1 60 LEU HG 5.450 . 5.450 3.845 3.523 4.376 . 0 0 "[ . 1 . 2 . 3]" 1 1351 1 60 LEU HG 1 82 ILE MG 5.700 . 5.700 4.606 4.222 5.270 . 0 0 "[ . 1 . 2 . 3]" 1 1352 1 25 LEU HG 1 29 ILE HG12 5.700 . 5.700 4.430 3.103 5.605 . 0 0 "[ . 1 . 2 . 3]" 1 1353 1 17 TYR QD 1 21 GLU HA 5.700 . 5.700 4.197 3.921 4.532 . 0 0 "[ . 1 . 2 . 3]" 1 1354 1 20 ALA MB 1 21 GLU HA 5.160 . 5.160 3.997 3.891 4.064 . 0 0 "[ . 1 . 2 . 3]" 1 1355 1 11 LYS HE2 1 21 GLU HA 5.350 . 5.350 5.148 4.570 5.422 0.072 23 0 "[ . 1 . 2 . 3]" 1 1356 1 21 GLU HA 1 21 GLU HG2 3.760 . 3.760 2.746 2.038 2.997 . 0 0 "[ . 1 . 2 . 3]" 1 1357 1 21 GLU HA 1 24 GLN HA 4.780 . 4.780 4.505 4.386 4.616 . 0 0 "[ . 1 . 2 . 3]" 1 1358 1 25 LEU HA 1 27 LYS HB2 5.230 . 5.230 5.150 4.897 5.293 0.063 23 0 "[ . 1 . 2 . 3]" 1 1359 1 25 LEU HA 1 25 LEU HG 4.270 . 4.270 3.510 3.024 3.837 . 0 0 "[ . 1 . 2 . 3]" 1 1360 1 10 LEU MD2 1 25 LEU HA 5.700 . 5.700 3.447 2.499 4.182 . 0 0 "[ . 1 . 2 . 3]" 1 1361 1 25 LEU HA 1 28 GLU HB3 4.380 . 4.380 4.343 4.054 4.431 0.051 18 0 "[ . 1 . 2 . 3]" 1 1362 1 25 LEU HA 1 25 LEU MD2 3.950 . 3.950 3.037 1.947 3.963 0.013 11 0 "[ . 1 . 2 . 3]" 1 1363 1 25 LEU HA 1 25 LEU MD1 4.770 . 4.770 2.799 2.121 3.565 . 0 0 "[ . 1 . 2 . 3]" 1 1364 1 17 TYR QE 1 21 GLU HA 5.700 . 5.700 4.282 4.022 4.558 . 0 0 "[ . 1 . 2 . 3]" 1 1365 1 41 LEU HG 1 42 ASP HA 5.700 . 5.700 5.721 5.493 5.789 0.089 21 0 "[ . 1 . 2 . 3]" 1 1366 1 26 LEU HG 1 48 PHE QE 5.700 . 5.700 2.743 2.490 3.172 . 0 0 "[ . 1 . 2 . 3]" 1 1367 1 14 ILE HA 1 17 TYR HA 5.700 . 5.700 5.231 4.782 5.587 . 0 0 "[ . 1 . 2 . 3]" 1 1368 1 17 TYR HA 1 99 LYS HB3 5.700 . 5.700 3.774 3.564 5.233 . 0 0 "[ . 1 . 2 . 3]" 1 1369 1 17 TYR HA 1 17 TYR QE 5.650 . 5.650 4.467 4.310 4.555 . 0 0 "[ . 1 . 2 . 3]" 1 1370 1 17 TYR HA 1 22 PHE QB 5.070 . 5.070 4.186 3.577 4.599 . 0 0 "[ . 1 . 2 . 3]" 1 1371 1 17 TYR HA 1 21 GLU HB2 4.440 . 4.440 2.842 2.278 3.285 . 0 0 "[ . 1 . 2 . 3]" 1 1372 1 11 LYS HE2 1 17 TYR HA 5.630 . 5.630 2.876 2.481 3.378 . 0 0 "[ . 1 . 2 . 3]" 1 1373 1 17 TYR HA 1 99 LYS QD 5.700 . 5.700 4.272 3.797 5.287 . 0 0 "[ . 1 . 2 . 3]" 1 1374 1 17 TYR HA 1 18 THR MG 5.700 . 5.700 3.808 3.535 4.117 . 0 0 "[ . 1 . 2 . 3]" 1 1375 1 11 LYS HD2 1 17 TYR HA 5.210 . 5.210 5.062 4.796 5.210 . 0 0 "[ . 1 . 2 . 3]" 1 1376 1 11 LYS HD3 1 17 TYR HA 4.850 . 4.850 4.801 4.386 4.927 0.077 3 0 "[ . 1 . 2 . 3]" 1 1377 1 11 LYS HE3 1 17 TYR HA 4.640 . 4.640 3.537 3.056 3.842 . 0 0 "[ . 1 . 2 . 3]" 1 1378 1 17 TYR HA 1 21 GLU HB3 4.820 . 4.820 3.125 2.585 3.383 . 0 0 "[ . 1 . 2 . 3]" 1 1379 1 24 GLN HE22 1 25 LEU HA 5.700 . 5.700 4.960 2.643 5.815 0.115 12 0 "[ . 1 . 2 . 3]" 1 1380 1 29 ILE HA 1 41 LEU HA 5.700 . 5.700 4.464 3.936 5.119 . 0 0 "[ . 1 . 2 . 3]" 1 1381 1 41 LEU HA 1 44 LEU HB3 5.220 . 5.220 4.815 4.365 5.222 0.002 17 0 "[ . 1 . 2 . 3]" 1 1382 1 28 GLU HB3 1 41 LEU HA 5.660 . 5.660 4.339 3.033 5.442 . 0 0 "[ . 1 . 2 . 3]" 1 1383 1 32 GLU HB2 1 41 LEU HG 5.690 . 5.690 4.808 4.378 5.524 . 0 0 "[ . 1 . 2 . 3]" 1 1384 1 22 PHE QE 1 26 LEU HG 5.700 . 5.700 4.170 3.473 5.063 . 0 0 "[ . 1 . 2 . 3]" 1 1385 1 16 ASP HA 1 17 TYR HA 5.700 . 5.700 4.602 4.523 4.716 . 0 0 "[ . 1 . 2 . 3]" 1 1386 1 32 GLU HB2 1 41 LEU HA 4.780 . 4.780 3.394 2.647 4.389 . 0 0 "[ . 1 . 2 . 3]" 1 1387 1 41 LEU HA 1 44 LEU HB2 4.240 . 4.240 3.188 2.851 3.529 . 0 0 "[ . 1 . 2 . 3]" 1 1388 1 41 LEU HA 1 41 LEU MD2 3.810 . 3.810 2.146 2.040 2.320 . 0 0 "[ . 1 . 2 . 3]" 1 1389 1 40 VAL MG2 1 41 LEU HA 5.310 . 5.310 4.492 3.822 5.416 0.106 5 0 "[ . 1 . 2 . 3]" 1 1390 1 41 LEU HA 1 44 LEU MD1 4.800 . 4.800 2.940 2.221 3.669 . 0 0 "[ . 1 . 2 . 3]" 1 1391 1 41 LEU HB3 1 45 LEU HG 5.640 . 5.640 4.201 3.955 4.620 . 0 0 "[ . 1 . 2 . 3]" 1 1392 1 29 ILE MG 1 45 LEU HG 5.700 . 5.700 3.563 3.106 4.291 . 0 0 "[ . 1 . 2 . 3]" 1 1393 1 41 LEU MD2 1 45 LEU HG 5.450 . 5.450 2.308 2.067 2.927 . 0 0 "[ . 1 . 2 . 3]" 1 1394 1 23 VAL HA 1 26 LEU HG 5.680 . 5.680 3.315 2.110 5.023 . 0 0 "[ . 1 . 2 . 3]" 1 1395 1 42 ASP HA 1 45 LEU HA 5.650 . 5.650 4.444 4.235 4.718 . 0 0 "[ . 1 . 2 . 3]" 1 1396 1 26 LEU HA 1 44 LEU HA 5.460 . 5.460 3.997 3.833 4.229 . 0 0 "[ . 1 . 2 . 3]" 1 1397 1 42 ASP HA 1 44 LEU HA 5.700 . 5.700 4.794 4.475 5.077 . 0 0 "[ . 1 . 2 . 3]" 1 1398 1 45 LEU HA 1 45 LEU HG 4.060 . 4.060 3.281 3.140 3.432 . 0 0 "[ . 1 . 2 . 3]" 1 1399 1 44 LEU HA 1 47 HIS HA 5.700 . 5.700 4.772 4.455 5.081 . 0 0 "[ . 1 . 2 . 3]" 1 1400 1 41 LEU HA 1 44 LEU HG 5.700 . 5.700 3.499 2.823 4.010 . 0 0 "[ . 1 . 2 . 3]" 1 1401 1 40 VAL HA 1 44 LEU HA 5.070 . 5.070 4.440 4.380 4.480 . 0 0 "[ . 1 . 2 . 3]" 1 1402 1 44 LEU HA 1 48 PHE HB2 4.020 . 4.020 3.819 3.596 3.943 . 0 0 "[ . 1 . 2 . 3]" 1 1403 1 44 LEU HA 1 48 PHE HB3 4.500 . 4.500 2.875 2.672 3.012 . 0 0 "[ . 1 . 2 . 3]" 1 1404 1 45 LEU HA 1 58 THR MG 5.000 . 5.000 2.952 2.644 3.377 . 0 0 "[ . 1 . 2 . 3]" 1 1405 1 45 LEU HA 1 45 LEU MD2 3.580 . 3.580 2.015 1.953 2.092 . 0 0 "[ . 1 . 2 . 3]" 1 1406 1 45 LEU HA 1 61 ILE MD 5.700 . 5.700 3.074 2.225 4.697 . 0 0 "[ . 1 . 2 . 3]" 1 1407 1 29 ILE HB 1 45 LEU HA 4.400 . 4.400 3.800 3.626 4.224 . 0 0 "[ . 1 . 2 . 3]" 1 1408 1 25 LEU MD2 1 44 LEU HA 4.800 . 4.800 3.826 2.779 4.496 . 0 0 "[ . 1 . 2 . 3]" 1 1409 1 43 VAL HA 1 44 LEU HA 5.660 . 5.660 4.629 4.541 4.708 . 0 0 "[ . 1 . 2 . 3]" 1 1410 1 44 LEU HA 1 47 HIS HB3 4.160 . 4.160 2.379 2.080 2.714 . 0 0 "[ . 1 . 2 . 3]" 1 1411 1 44 LEU HA 1 44 LEU HG 4.150 . 4.150 3.217 3.098 3.335 . 0 0 "[ . 1 . 2 . 3]" 1 1412 1 44 LEU HA 1 44 LEU MD2 3.590 . 3.590 2.103 2.032 2.199 . 0 0 "[ . 1 . 2 . 3]" 1 1413 1 44 LEU HA 1 47 HIS HB2 3.940 . 3.940 3.328 2.886 3.659 . 0 0 "[ . 1 . 2 . 3]" 1 1414 1 26 LEU HA 1 44 LEU HA 5.480 . 5.480 4.024 3.852 4.270 . 0 0 "[ . 1 . 2 . 3]" 1 1415 1 59 ALA HA 1 60 LEU HA 5.450 . 5.450 4.722 4.605 4.879 . 0 0 "[ . 1 . 2 . 3]" 1 1416 1 59 ALA MB 1 60 LEU HA 5.170 . 5.170 3.609 3.481 3.711 . 0 0 "[ . 1 . 2 . 3]" 1 1417 1 60 LEU HA 1 60 LEU MD2 3.880 . 3.880 1.991 1.946 2.076 . 0 0 "[ . 1 . 2 . 3]" 1 1418 1 26 LEU HA 1 79 PRO HA 5.700 . 5.700 5.007 4.334 5.756 0.056 7 0 "[ . 1 . 2 . 3]" 1 1419 1 26 LEU HA 1 27 LYS HA 5.700 . 5.700 4.758 4.645 4.849 . 0 0 "[ . 1 . 2 . 3]" 1 1420 1 26 LEU HA 1 28 GLU HB2 5.700 . 5.700 4.150 3.890 4.397 . 0 0 "[ . 1 . 2 . 3]" 1 1421 1 26 LEU HA 1 44 LEU HB2 5.700 . 5.700 5.080 4.607 5.621 . 0 0 "[ . 1 . 2 . 3]" 1 1422 1 26 LEU HA 1 29 ILE HB 3.380 . 3.380 2.860 2.181 3.244 . 0 0 "[ . 1 . 2 . 3]" 1 1423 1 26 LEU HA 1 26 LEU HG 4.100 . 4.100 3.051 2.482 3.673 . 0 0 "[ . 1 . 2 . 3]" 1 1424 1 26 LEU HA 1 83 VAL MG1 5.700 . 5.700 5.821 5.109 6.096 0.396 17 0 "[ . 1 . 2 . 3]" 1 1425 1 25 LEU MD2 1 26 LEU HA 4.750 . 4.750 2.911 1.863 3.652 . 0 0 "[ . 1 . 2 . 3]" 1 1426 1 26 LEU HA 1 29 ILE HG13 4.680 . 4.680 2.516 1.907 3.050 . 0 0 "[ . 1 . 2 . 3]" 1 1427 1 26 LEU HA 1 26 LEU MD2 3.560 . 3.560 2.491 1.875 3.695 0.135 16 0 "[ . 1 . 2 . 3]" 1 1428 1 26 LEU HA 1 29 ILE MD 4.040 . 4.040 2.269 2.049 2.492 . 0 0 "[ . 1 . 2 . 3]" 1 1429 1 26 LEU HA 1 61 ILE MD 5.700 . 5.700 4.644 3.333 5.720 0.020 15 0 "[ . 1 . 2 . 3]" 1 1430 1 26 LEU HA 1 48 PHE QE 5.700 . 5.700 5.385 4.893 5.702 0.002 9 0 "[ . 1 . 2 . 3]" 1 1431 1 26 LEU HA 1 61 ILE HG13 5.590 . 5.590 5.509 4.820 5.752 0.162 3 0 "[ . 1 . 2 . 3]" 1 1432 1 40 VAL MG1 1 44 LEU HG 5.700 . 5.700 2.975 1.996 3.597 . 0 0 "[ . 1 . 2 . 3]" 1 1433 1 41 LEU HA 1 42 ASP HA 5.690 . 5.690 4.622 4.470 4.748 . 0 0 "[ . 1 . 2 . 3]" 1 1434 1 42 ASP HA 1 45 LEU HB2 3.820 . 3.820 2.524 2.154 2.783 . 0 0 "[ . 1 . 2 . 3]" 1 1435 1 41 LEU HB3 1 42 ASP HA 4.720 . 4.720 4.163 3.980 4.422 . 0 0 "[ . 1 . 2 . 3]" 1 1436 1 42 ASP HA 1 45 LEU HB3 4.170 . 4.170 4.088 3.653 4.234 0.064 2 0 "[ . 1 . 2 . 3]" 1 1437 1 40 VAL HA 1 42 ASP HA 5.700 . 5.700 4.611 4.492 4.714 . 0 0 "[ . 1 . 2 . 3]" 1 1438 1 41 LEU HB2 1 42 ASP HA 4.770 . 4.770 3.284 2.476 3.944 . 0 0 "[ . 1 . 2 . 3]" 1 1439 1 41 LEU MD1 1 42 ASP HA 4.290 . 4.290 2.613 2.363 2.804 . 0 0 "[ . 1 . 2 . 3]" 1 1440 1 41 LEU MD2 1 42 ASP HA 5.660 . 5.660 4.095 3.962 4.338 . 0 0 "[ . 1 . 2 . 3]" 1 1441 1 42 ASP HA 1 45 LEU MD2 5.700 . 5.700 4.720 4.090 5.173 . 0 0 "[ . 1 . 2 . 3]" 1 1442 1 44 LEU HA 1 46 GLU HG2 5.700 . 5.700 5.301 5.102 5.750 0.050 8 0 "[ . 1 . 2 . 3]" 1 1443 1 44 LEU HA 1 46 GLU HB3 5.700 . 5.700 5.763 5.540 5.894 0.194 7 0 "[ . 1 . 2 . 3]" 1 1444 1 60 LEU HA 1 82 ILE MG 5.700 . 5.700 3.568 2.692 4.189 . 0 0 "[ . 1 . 2 . 3]" 1 1445 1 60 LEU HA 1 63 GLU HG2 4.390 . 4.390 2.279 2.027 4.175 . 0 0 "[ . 1 . 2 . 3]" 1 1446 1 60 LEU HA 1 85 GLU HB3 5.700 . 5.700 5.784 5.668 5.867 0.167 30 0 "[ . 1 . 2 . 3]" 1 1447 1 60 LEU HA 1 63 GLU HB3 4.450 . 4.450 4.425 4.188 4.576 0.126 30 0 "[ . 1 . 2 . 3]" 1 1448 1 60 LEU HA 1 63 GLU HB2 4.950 . 4.950 4.631 2.858 4.954 0.004 24 0 "[ . 1 . 2 . 3]" 1 1449 1 26 LEU MD1 1 60 LEU HA 5.700 . 5.700 5.633 5.263 5.761 0.061 24 0 "[ . 1 . 2 . 3]" 1 1450 1 26 LEU HA 1 28 GLU HB2 5.310 . 5.310 4.238 3.990 4.547 . 0 0 "[ . 1 . 2 . 3]" 1 1451 1 23 VAL HA 1 26 LEU HA 5.700 . 5.700 4.847 4.329 5.229 . 0 0 "[ . 1 . 2 . 3]" 1 1452 1 13 SER HA 1 14 ILE H 3.420 . 3.420 2.420 2.332 2.514 . 0 0 "[ . 1 . 2 . 3]" 1 1453 1 13 SER HB2 1 14 ILE H 3.740 . 3.740 2.388 2.268 2.552 . 0 0 "[ . 1 . 2 . 3]" 1 1454 1 13 SER HB3 1 14 ILE H 4.790 . 4.790 3.651 3.515 3.772 . 0 0 "[ . 1 . 2 . 3]" 1 1455 1 14 ILE H 1 51 ILE HB 4.360 . 4.360 2.683 2.088 3.179 . 0 0 "[ . 1 . 2 . 3]" 1 1456 1 14 ILE H 1 14 ILE HB 3.510 . 3.510 2.431 2.323 2.521 . 0 0 "[ . 1 . 2 . 3]" 1 1457 1 14 ILE H 1 51 ILE MD 4.570 . 4.570 3.098 2.701 3.450 . 0 0 "[ . 1 . 2 . 3]" 1 1458 1 14 ILE H 1 14 ILE MG 4.070 . 4.070 2.181 2.093 2.408 . 0 0 "[ . 1 . 2 . 3]" 1 1459 1 58 THR H 1 59 ALA H . . 3.300 2.408 2.308 2.650 . 0 0 "[ . 1 . 2 . 3]" 1 1460 1 59 ALA H 1 60 LEU H . . 3.300 2.591 2.412 2.687 . 0 0 "[ . 1 . 2 . 3]" 1 1461 1 59 ALA H 1 61 ILE H . . 4.700 4.164 3.905 4.356 . 0 0 "[ . 1 . 2 . 3]" 1 1462 1 56 ASP HA 1 59 ALA H . . 3.900 3.608 3.444 3.918 0.018 17 0 "[ . 1 . 2 . 3]" 1 1463 1 58 THR HB 1 59 ALA H . . 4.900 3.238 2.730 4.112 . 0 0 "[ . 1 . 2 . 3]" 1 1464 1 56 ASP HB2 1 59 ALA H 4.860 . 4.860 4.892 4.736 5.082 0.222 21 0 "[ . 1 . 2 . 3]" 1 1465 1 59 ALA H 1 59 ALA MB 3.190 . 3.190 2.237 2.203 2.271 . 0 0 "[ . 1 . 2 . 3]" 1 1466 1 59 ALA H 1 60 LEU MD1 5.700 . 5.700 5.613 5.099 5.732 0.032 19 0 "[ . 1 . 2 . 3]" 1 1467 1 99 LYS HA 1 100 GLN H 2.970 . 2.970 2.444 2.208 2.614 . 0 0 "[ . 1 . 2 . 3]" 1 1468 1 100 GLN H 1 100 GLN QG 4.010 . 4.010 3.288 2.007 3.843 . 0 0 "[ . 1 . 2 . 3]" 1 1469 1 100 GLN H 1 100 GLN HB3 3.370 . 3.370 3.414 2.628 3.484 0.114 27 0 "[ . 1 . 2 . 3]" 1 1470 1 99 LYS HB2 1 100 GLN H 4.380 . 4.380 2.497 2.125 4.032 . 0 0 "[ . 1 . 2 . 3]" 1 1471 1 99 LYS HG3 1 100 GLN H 3.490 . 3.490 3.082 2.104 3.567 0.077 16 0 "[ . 1 . 2 . 3]" 1 1472 1 21 GLU H 1 22 PHE H . . 3.300 2.594 2.516 2.655 . 0 0 "[ . 1 . 2 . 3]" 1 1473 1 17 TYR QD 1 22 PHE H 4.920 . 4.920 2.859 2.645 3.206 . 0 0 "[ . 1 . 2 . 3]" 1 1474 1 17 TYR QE 1 22 PHE H 5.700 . 5.700 4.579 4.140 5.210 . 0 0 "[ . 1 . 2 . 3]" 1 1475 1 22 PHE H 1 22 PHE QD 4.560 . 4.560 4.081 4.001 4.170 . 0 0 "[ . 1 . 2 . 3]" 1 1476 1 17 TYR QB 1 22 PHE H 4.380 . 4.380 3.564 3.150 3.848 . 0 0 "[ . 1 . 2 . 3]" 1 1477 1 22 PHE H 1 22 PHE QB 3.250 . 3.250 2.199 2.146 2.318 . 0 0 "[ . 1 . 2 . 3]" 1 1478 1 21 GLU HB2 1 22 PHE H 3.770 . 3.770 2.714 2.382 2.945 . 0 0 "[ . 1 . 2 . 3]" 1 1479 1 21 GLU HB3 1 22 PHE H 4.300 . 4.300 3.366 2.863 3.609 . 0 0 "[ . 1 . 2 . 3]" 1 1480 1 10 LEU H 1 11 LYS H 4.910 . 4.910 4.405 4.314 4.510 . 0 0 "[ . 1 . 2 . 3]" 1 1481 1 9 GLU HA 1 10 LEU H 3.480 . 3.480 2.385 2.064 2.743 . 0 0 "[ . 1 . 2 . 3]" 1 1482 1 10 LEU H 1 10 LEU HG 3.860 . 3.860 2.659 2.437 3.068 . 0 0 "[ . 1 . 2 . 3]" 1 1483 1 10 LEU H 1 10 LEU MD2 4.940 . 4.940 3.380 3.034 3.907 . 0 0 "[ . 1 . 2 . 3]" 1 1484 1 19 GLU H 1 99 LYS H 5.390 . 5.390 4.629 3.761 5.315 . 0 0 "[ . 1 . 2 . 3]" 1 1485 1 98 PHE H 1 99 LYS H 5.200 . 5.200 4.552 4.407 4.625 . 0 0 "[ . 1 . 2 . 3]" 1 1486 1 98 PHE QD 1 99 LYS H 4.240 . 4.240 3.911 3.436 4.244 0.004 5 0 "[ . 1 . 2 . 3]" 1 1487 1 18 THR HA 1 99 LYS H 3.910 . 3.910 2.810 2.227 3.102 . 0 0 "[ . 1 . 2 . 3]" 1 1488 1 15 SER HA 1 99 LYS H 4.170 . 4.170 3.995 3.293 4.247 0.077 18 0 "[ . 1 . 2 . 3]" 1 1489 1 98 PHE HA 1 99 LYS H 3.180 . 3.180 2.310 2.114 2.436 . 0 0 "[ . 1 . 2 . 3]" 1 1490 1 17 TYR QB 1 99 LYS H 3.500 . 3.500 3.385 3.205 3.516 0.016 10 0 "[ . 1 . 2 . 3]" 1 1491 1 99 LYS H 1 99 LYS QE 5.680 . 5.680 4.663 4.337 5.293 . 0 0 "[ . 1 . 2 . 3]" 1 1492 1 98 PHE HB3 1 99 LYS H 3.910 . 3.910 2.654 2.409 2.907 . 0 0 "[ . 1 . 2 . 3]" 1 1493 1 99 LYS H 1 99 LYS HB2 3.360 . 3.360 3.426 2.077 3.556 0.196 26 0 "[ . 1 . 2 . 3]" 1 1494 1 99 LYS H 1 99 LYS QD 4.910 . 4.910 3.978 3.710 4.389 . 0 0 "[ . 1 . 2 . 3]" 1 1495 1 99 LYS H 1 99 LYS QG 3.290 . 3.290 2.322 2.040 3.548 0.258 17 0 "[ . 1 . 2 . 3]" 1 1496 1 18 THR MG 1 99 LYS H 5.180 . 5.180 4.116 3.841 4.397 . 0 0 "[ . 1 . 2 . 3]" 1 1497 1 79 PRO HA 1 82 ILE H . . 3.900 3.595 3.251 3.918 0.018 10 0 "[ . 1 . 2 . 3]" 1 1498 1 82 ILE H 1 82 ILE HB 3.710 . 3.710 3.393 2.910 3.669 . 0 0 "[ . 1 . 2 . 3]" 1 1499 1 82 ILE H 1 82 ILE HG12 3.440 . 3.440 2.111 1.759 2.620 . 0 0 "[ . 1 . 2 . 3]" 1 1500 1 64 ALA MB 1 82 ILE H 5.700 . 5.700 3.826 3.121 4.461 . 0 0 "[ . 1 . 2 . 3]" 1 1501 1 82 ILE H 1 82 ILE HG13 3.640 . 3.640 2.339 1.698 3.737 0.097 26 0 "[ . 1 . 2 . 3]" 1 1502 1 82 ILE H 1 82 ILE MD 4.390 . 4.390 3.466 1.692 3.635 . 0 0 "[ . 1 . 2 . 3]" 1 1503 1 80 GLU H 1 82 ILE H . . 4.700 4.319 4.077 4.638 . 0 0 "[ . 1 . 2 . 3]" 1 1504 1 19 GLU H 1 21 GLU H 5.550 . 5.550 3.935 3.732 4.157 . 0 0 "[ . 1 . 2 . 3]" 1 1505 1 19 GLU H 1 98 PHE QD 5.140 . 5.140 4.471 3.409 4.933 . 0 0 "[ . 1 . 2 . 3]" 1 1506 1 18 THR HA 1 19 GLU H 3.160 . 3.160 2.479 2.259 2.656 . 0 0 "[ . 1 . 2 . 3]" 1 1507 1 18 THR HB 1 19 GLU H 3.210 . 3.210 2.546 2.254 2.812 . 0 0 "[ . 1 . 2 . 3]" 1 1508 1 19 GLU H 1 98 PHE HB2 4.100 . 4.100 3.965 3.560 4.136 0.036 30 0 "[ . 1 . 2 . 3]" 1 1509 1 19 GLU H 1 19 GLU QB 3.160 . 3.160 2.696 2.435 2.850 . 0 0 "[ . 1 . 2 . 3]" 1 1510 1 19 GLU H 1 19 GLU HG3 4.530 . 4.530 2.996 2.081 3.608 . 0 0 "[ . 1 . 2 . 3]" 1 1511 1 19 GLU H 1 20 ALA MB 4.720 . 4.720 4.021 3.829 4.337 . 0 0 "[ . 1 . 2 . 3]" 1 1512 1 18 THR MG 1 19 GLU H 4.350 . 4.350 3.867 3.532 4.072 . 0 0 "[ . 1 . 2 . 3]" 1 1513 1 26 LEU HA 1 28 GLU H . . 4.900 4.294 3.995 4.502 . 0 0 "[ . 1 . 2 . 3]" 1 1514 1 28 GLU H 1 28 GLU HB2 4.280 . 4.280 2.566 2.363 3.690 . 0 0 "[ . 1 . 2 . 3]" 1 1515 1 27 LYS HB3 1 28 GLU H 3.980 . 3.980 3.562 3.325 3.725 . 0 0 "[ . 1 . 2 . 3]" 1 1516 1 23 VAL MG2 1 28 GLU H 5.700 . 5.700 4.588 3.910 5.212 . 0 0 "[ . 1 . 2 . 3]" 1 1517 1 25 LEU MD1 1 28 GLU H 5.670 . 5.670 4.282 4.049 4.607 . 0 0 "[ . 1 . 2 . 3]" 1 1518 1 89 TRP H 1 89 TRP HE3 5.120 . 5.120 4.863 4.556 4.996 . 0 0 "[ . 1 . 2 . 3]" 1 1519 1 54 HIS HD2 1 89 TRP H 5.290 . 5.290 5.013 4.297 5.339 0.049 5 0 "[ . 1 . 2 . 3]" 1 1520 1 89 TRP H 1 89 TRP HB2 3.500 . 3.500 2.412 2.299 2.563 . 0 0 "[ . 1 . 2 . 3]" 1 1521 1 89 TRP H 1 89 TRP HB3 3.470 . 3.470 2.592 2.402 2.670 . 0 0 "[ . 1 . 2 . 3]" 1 1522 1 88 GLU HB2 1 89 TRP H 3.790 . 3.790 2.788 2.575 2.995 . 0 0 "[ . 1 . 2 . 3]" 1 1523 1 89 TRP H 1 90 ARG HB2 5.390 . 5.390 4.576 4.159 5.321 . 0 0 "[ . 1 . 2 . 3]" 1 1524 1 40 VAL HA 1 41 LEU H 3.720 . 3.720 3.382 3.322 3.455 . 0 0 "[ . 1 . 2 . 3]" 1 1525 1 32 GLU HB2 1 41 LEU H 4.630 . 4.630 4.191 3.965 4.327 . 0 0 "[ . 1 . 2 . 3]" 1 1526 1 40 VAL HB 1 41 LEU H 3.880 . 3.880 3.661 2.938 3.966 0.086 8 0 "[ . 1 . 2 . 3]" 1 1527 1 38 ASP H 1 41 LEU HB2 3.520 . 3.520 2.256 2.088 2.409 . 0 0 "[ . 1 . 2 . 3]" 1 1528 1 38 ASP H 1 41 LEU HB3 3.440 . 3.440 2.358 1.825 2.581 . 0 0 "[ . 1 . 2 . 3]" 1 1529 1 40 VAL QG 1 41 LEU H 4.300 . 4.300 2.598 2.190 3.308 . 0 0 "[ . 1 . 2 . 3]" 1 1530 1 65 ALA H 1 66 ALA H 3.080 . 3.080 2.351 2.287 2.404 . 0 0 "[ . 1 . 2 . 3]" 1 1531 1 64 ALA H 1 66 ALA H . . 4.700 4.257 4.138 4.360 . 0 0 "[ . 1 . 2 . 3]" 1 1532 1 63 GLU HA 1 66 ALA H . . 3.900 3.273 3.024 3.606 . 0 0 "[ . 1 . 2 . 3]" 1 1533 1 66 ALA H 1 67 ARG QB 4.880 . 4.880 4.378 4.186 4.527 . 0 0 "[ . 1 . 2 . 3]" 1 1534 1 65 ALA MB 1 66 ALA H 2.940 . 2.940 2.078 2.034 2.135 . 0 0 "[ . 1 . 2 . 3]" 1 1535 1 10 LEU H 1 11 LYS H 5.210 . 5.210 4.158 4.025 4.290 . 0 0 "[ . 1 . 2 . 3]" 1 1536 1 11 LYS H 1 17 TYR QE 4.680 . 4.680 2.673 2.257 2.907 . 0 0 "[ . 1 . 2 . 3]" 1 1537 1 10 LEU HA 1 11 LYS H 3.310 . 3.310 2.130 1.985 2.320 . 0 0 "[ . 1 . 2 . 3]" 1 1538 1 11 LYS H 1 11 LYS HB2 4.390 . 4.390 2.634 2.444 2.791 . 0 0 "[ . 1 . 2 . 3]" 1 1539 1 10 LEU HB2 1 11 LYS H 3.730 . 3.730 3.400 3.257 3.476 . 0 0 "[ . 1 . 2 . 3]" 1 1540 1 11 LYS H 1 11 LYS HD2 3.800 . 3.800 3.908 3.719 3.952 0.152 21 0 "[ . 1 . 2 . 3]" 1 1541 1 10 LEU HB3 1 11 LYS H 4.410 . 4.410 3.084 2.625 3.282 . 0 0 "[ . 1 . 2 . 3]" 1 1542 1 10 LEU MD2 1 11 LYS H 4.890 . 4.890 3.517 2.995 3.704 . 0 0 "[ . 1 . 2 . 3]" 1 1543 1 22 PHE H 1 25 LEU H 5.210 . 5.210 4.021 3.916 4.125 . 0 0 "[ . 1 . 2 . 3]" 1 1544 1 25 LEU H 1 27 LYS H . . 4.700 4.072 3.902 4.171 . 0 0 "[ . 1 . 2 . 3]" 1 1545 1 22 PHE QD 1 25 LEU H 5.700 . 5.700 5.322 4.596 5.644 . 0 0 "[ . 1 . 2 . 3]" 1 1546 1 23 VAL HA 1 25 LEU H . . 4.900 4.343 4.063 4.548 . 0 0 "[ . 1 . 2 . 3]" 1 1547 1 22 PHE QB 1 25 LEU H 5.700 . 5.700 4.997 4.898 5.132 . 0 0 "[ . 1 . 2 . 3]" 1 1548 1 24 GLN QG 1 25 LEU H 4.820 . 4.820 3.544 2.595 4.215 . 0 0 "[ . 1 . 2 . 3]" 1 1549 1 24 GLN HB3 1 25 LEU H 3.590 . 3.590 2.415 2.124 3.767 0.177 25 0 "[ . 1 . 2 . 3]" 1 1550 1 25 LEU H 1 25 LEU HB2 3.320 . 3.320 2.489 2.211 2.656 . 0 0 "[ . 1 . 2 . 3]" 1 1551 1 25 LEU H 1 25 LEU HB3 3.310 . 3.310 2.408 2.280 2.623 . 0 0 "[ . 1 . 2 . 3]" 1 1552 1 23 VAL MG2 1 25 LEU H 4.570 . 4.570 3.841 3.606 3.966 . 0 0 "[ . 1 . 2 . 3]" 1 1553 1 10 LEU MD1 1 25 LEU H 4.640 . 4.640 3.947 3.641 4.117 . 0 0 "[ . 1 . 2 . 3]" 1 1554 1 37 THR HA 1 38 ASP H 3.760 . 3.760 2.956 2.539 3.431 . 0 0 "[ . 1 . 2 . 3]" 1 1555 1 37 THR HB 1 38 ASP H 4.100 . 4.100 2.502 1.931 3.679 . 0 0 "[ . 1 . 2 . 3]" 1 1556 1 38 ASP H 1 38 ASP HB3 3.810 . 3.810 3.263 2.576 3.954 0.144 24 0 "[ . 1 . 2 . 3]" 1 1557 1 37 THR MG 1 38 ASP H 5.060 . 5.060 3.501 3.110 3.671 . 0 0 "[ . 1 . 2 . 3]" 1 1558 1 60 LEU HA 1 64 ALA H . . 4.700 3.761 3.515 3.942 . 0 0 "[ . 1 . 2 . 3]" 1 1559 1 61 ILE HA 1 64 ALA H . . 3.900 3.497 3.170 3.789 . 0 0 "[ . 1 . 2 . 3]" 1 1560 1 63 GLU HB2 1 64 ALA H 4.770 . 4.770 3.708 2.506 3.902 . 0 0 "[ . 1 . 2 . 3]" 1 1561 1 63 GLU HB3 1 64 ALA H 4.500 . 4.500 4.134 3.607 4.286 . 0 0 "[ . 1 . 2 . 3]" 1 1562 1 64 ALA H 1 64 ALA MB 3.450 . 3.450 2.244 2.214 2.269 . 0 0 "[ . 1 . 2 . 3]" 1 1563 1 61 ILE HG12 1 64 ALA H 5.700 . 5.700 4.549 3.695 5.029 . 0 0 "[ . 1 . 2 . 3]" 1 1564 1 36 ALA H 1 37 THR H 4.080 . 4.080 3.118 2.888 3.542 . 0 0 "[ . 1 . 2 . 3]" 1 1565 1 36 ALA H 1 36 ALA MB 3.630 . 3.630 2.851 2.726 2.969 . 0 0 "[ . 1 . 2 . 3]" 1 1566 1 68 ALA H 1 69 ALA H . . 3.300 2.492 2.388 2.720 . 0 0 "[ . 1 . 2 . 3]" 1 1567 1 65 ALA HA 1 68 ALA H 3.130 . 3.130 2.754 2.676 2.786 . 0 0 "[ . 1 . 2 . 3]" 1 1568 1 67 ARG QB 1 68 ALA H 3.320 . 3.320 2.772 2.575 2.962 . 0 0 "[ . 1 . 2 . 3]" 1 1569 1 68 ALA H 1 68 ALA MB 3.070 . 3.070 2.255 2.206 2.291 . 0 0 "[ . 1 . 2 . 3]" 1 1570 1 48 PHE QD 1 49 VAL H 4.210 . 4.210 2.889 2.617 3.070 . 0 0 "[ . 1 . 2 . 3]" 1 1571 1 48 PHE HB3 1 49 VAL H 4.210 . 4.210 2.468 2.379 2.643 . 0 0 "[ . 1 . 2 . 3]" 1 1572 1 49 VAL H 1 49 VAL HB 3.310 . 3.310 2.597 2.520 2.774 . 0 0 "[ . 1 . 2 . 3]" 1 1573 1 49 VAL H 1 50 LYS QB 5.420 . 5.420 4.769 4.268 4.887 . 0 0 "[ . 1 . 2 . 3]" 1 1574 1 49 VAL H 1 49 VAL MG1 3.660 . 3.660 2.035 1.924 2.141 . 0 0 "[ . 1 . 2 . 3]" 1 1575 1 49 VAL H 1 49 VAL MG2 4.440 . 4.440 3.807 3.785 3.838 . 0 0 "[ . 1 . 2 . 3]" 1 1576 1 56 ASP H 1 56 ASP HB3 3.820 . 3.820 3.714 2.805 3.845 0.025 10 0 "[ . 1 . 2 . 3]" 1 1577 1 55 PRO HG2 1 56 ASP H 5.330 . 5.330 4.298 4.046 4.845 . 0 0 "[ . 1 . 2 . 3]" 1 1578 1 54 HIS HE1 1 56 ASP H 4.470 . 4.470 3.754 3.454 4.463 . 0 0 "[ . 1 . 2 . 3]" 1 1579 1 55 PRO HG3 1 56 ASP H 5.080 . 5.080 4.204 4.092 4.398 . 0 0 "[ . 1 . 2 . 3]" 1 1580 1 56 ASP H 1 60 LEU MD1 5.700 . 5.700 4.576 3.934 4.862 . 0 0 "[ . 1 . 2 . 3]" 1 1581 1 48 PHE QD 1 50 LYS H 5.660 . 5.660 5.230 4.983 5.360 . 0 0 "[ . 1 . 2 . 3]" 1 1582 1 49 VAL H 1 50 LYS H . . 3.300 2.652 2.588 2.686 . 0 0 "[ . 1 . 2 . 3]" 1 1583 1 47 HIS HA 1 50 LYS H . . 3.900 3.620 3.414 3.830 . 0 0 "[ . 1 . 2 . 3]" 1 1584 1 49 VAL HB 1 50 LYS H 4.000 . 4.000 4.105 4.057 4.173 0.173 24 0 "[ . 1 . 2 . 3]" 1 1585 1 50 LYS H 1 50 LYS HB3 2.990 . 2.990 2.492 2.176 2.601 . 0 0 "[ . 1 . 2 . 3]" 1 1586 1 50 LYS H 1 50 LYS QD 4.490 . 4.490 3.906 3.628 4.325 . 0 0 "[ . 1 . 2 . 3]" 1 1587 1 50 LYS H 1 50 LYS HG2 4.200 . 4.200 2.754 2.462 4.072 . 0 0 "[ . 1 . 2 . 3]" 1 1588 1 44 LEU H 1 44 LEU HB3 4.260 . 4.260 2.488 2.329 2.588 . 0 0 "[ . 1 . 2 . 3]" 1 1589 1 49 VAL MG2 1 50 LYS H 4.210 . 4.210 3.815 3.635 3.929 . 0 0 "[ . 1 . 2 . 3]" 1 1590 1 44 LEU H 1 44 LEU MD2 5.120 . 5.120 3.042 2.865 3.207 . 0 0 "[ . 1 . 2 . 3]" 1 1591 1 44 LEU H 1 45 LEU H . . 3.300 2.525 2.482 2.579 . 0 0 "[ . 1 . 2 . 3]" 1 1592 1 42 ASP HA 1 44 LEU H . . 4.900 4.260 4.024 4.502 . 0 0 "[ . 1 . 2 . 3]" 1 1593 1 43 VAL HB 1 44 LEU H 3.550 . 3.550 2.153 2.101 2.195 . 0 0 "[ . 1 . 2 . 3]" 1 1594 1 44 LEU H 1 44 LEU HB2 3.510 . 3.510 2.625 2.499 2.722 . 0 0 "[ . 1 . 2 . 3]" 1 1595 1 41 LEU HB3 1 44 LEU H 5.460 . 5.460 2.745 2.459 3.978 . 0 0 "[ . 1 . 2 . 3]" 1 1596 1 44 LEU H 1 44 LEU HB3 4.050 . 4.050 3.482 3.444 3.530 . 0 0 "[ . 1 . 2 . 3]" 1 1597 1 43 VAL MG1 1 44 LEU H 4.730 . 4.730 3.207 3.058 3.342 . 0 0 "[ . 1 . 2 . 3]" 1 1598 1 27 LYS H 1 28 GLU H . . 3.300 2.589 2.502 2.657 . 0 0 "[ . 1 . 2 . 3]" 1 1599 1 26 LEU H 1 27 LYS H . . 3.300 2.777 2.692 2.848 . 0 0 "[ . 1 . 2 . 3]" 1 1600 1 23 VAL HA 1 27 LYS H . . 4.700 3.911 3.684 4.213 . 0 0 "[ . 1 . 2 . 3]" 1 1601 1 27 LYS H 1 27 LYS QE 5.690 . 5.690 4.541 3.757 5.172 . 0 0 "[ . 1 . 2 . 3]" 1 1602 1 24 GLN HB2 1 27 LYS H 4.930 . 4.930 3.342 3.018 3.666 . 0 0 "[ . 1 . 2 . 3]" 1 1603 1 27 LYS H 1 27 LYS HB2 3.240 . 3.240 2.460 2.232 2.604 . 0 0 "[ . 1 . 2 . 3]" 1 1604 1 27 LYS H 1 27 LYS HB3 3.690 . 3.690 3.604 3.542 3.663 . 0 0 "[ . 1 . 2 . 3]" 1 1605 1 27 LYS H 1 27 LYS HG2 3.620 . 3.620 3.348 3.044 3.602 . 0 0 "[ . 1 . 2 . 3]" 1 1606 1 26 LEU HB3 1 27 LYS H 4.300 . 4.300 3.325 2.175 3.718 . 0 0 "[ . 1 . 2 . 3]" 1 1607 1 23 VAL MG2 1 27 LYS H 4.900 . 4.900 3.886 3.350 4.104 . 0 0 "[ . 1 . 2 . 3]" 1 1608 1 26 LEU MD2 1 27 LYS H 5.700 . 5.700 4.504 4.180 4.714 . 0 0 "[ . 1 . 2 . 3]" 1 1609 1 16 ASP H 1 17 TYR H 3.410 . 3.410 2.193 1.995 2.323 . 0 0 "[ . 1 . 2 . 3]" 1 1610 1 17 TYR H 1 17 TYR QD 3.850 . 3.850 3.412 3.103 3.682 . 0 0 "[ . 1 . 2 . 3]" 1 1611 1 17 TYR H 1 17 TYR QE 5.680 . 5.680 5.453 5.101 5.704 0.024 13 0 "[ . 1 . 2 . 3]" 1 1612 1 15 SER HA 1 17 TYR H 4.450 . 4.450 3.549 3.199 3.991 . 0 0 "[ . 1 . 2 . 3]" 1 1613 1 14 ILE HA 1 17 TYR H 4.950 . 4.950 3.704 3.220 3.989 . 0 0 "[ . 1 . 2 . 3]" 1 1614 1 17 TYR H 1 17 TYR QB 3.300 . 3.300 2.314 2.204 2.376 . 0 0 "[ . 1 . 2 . 3]" 1 1615 1 16 ASP HB3 1 17 TYR H 4.330 . 4.330 3.579 3.177 3.725 . 0 0 "[ . 1 . 2 . 3]" 1 1616 1 17 TYR H 1 99 LYS HB2 5.300 . 5.300 5.322 3.625 5.462 0.162 12 0 "[ . 1 . 2 . 3]" 1 1617 1 17 TYR H 1 99 LYS QG 5.320 . 5.320 3.395 2.805 5.368 0.048 17 0 "[ . 1 . 2 . 3]" 1 1618 1 43 VAL H 1 44 LEU H . . 3.300 2.552 2.381 2.727 . 0 0 "[ . 1 . 2 . 3]" 1 1619 1 42 ASP HB3 1 44 LEU H 5.700 . 5.700 5.199 4.804 5.627 . 0 0 "[ . 1 . 2 . 3]" 1 1620 1 44 LEU H 1 44 LEU MD2 4.280 . 4.280 3.064 2.880 3.238 . 0 0 "[ . 1 . 2 . 3]" 1 1621 1 27 LYS H 1 29 ILE H . . 4.700 4.003 3.895 4.094 . 0 0 "[ . 1 . 2 . 3]" 1 1622 1 90 ARG H 1 92 ALA H . . 4.700 4.109 3.963 4.308 . 0 0 "[ . 1 . 2 . 3]" 1 1623 1 91 ALA H 1 92 ALA H . . 3.300 2.666 2.593 2.741 . 0 0 "[ . 1 . 2 . 3]" 1 1624 1 92 ALA H 1 94 GLY H 5.140 . 5.140 3.974 3.710 4.247 . 0 0 "[ . 1 . 2 . 3]" 1 1625 1 90 ARG HG2 1 92 ALA H 5.700 . 5.700 4.802 4.411 5.246 . 0 0 "[ . 1 . 2 . 3]" 1 1626 1 92 ALA H 1 92 ALA MB 3.230 . 3.230 2.240 2.218 2.260 . 0 0 "[ . 1 . 2 . 3]" 1 1627 1 65 ALA H 1 66 ALA H . . 3.300 2.741 2.636 2.811 . 0 0 "[ . 1 . 2 . 3]" 1 1628 1 64 ALA H 1 65 ALA H . . 3.300 2.745 2.698 2.801 . 0 0 "[ . 1 . 2 . 3]" 1 1629 1 64 ALA MB 1 65 ALA H 3.230 . 3.230 2.081 2.019 2.115 . 0 0 "[ . 1 . 2 . 3]" 1 1630 1 88 GLU HB2 1 91 ALA H 5.320 . 5.320 4.470 4.285 4.887 . 0 0 "[ . 1 . 2 . 3]" 1 1631 1 29 ILE H 1 30 GLU H . . 3.300 2.689 2.549 2.886 . 0 0 "[ . 1 . 2 . 3]" 1 1632 1 26 LEU HA 1 29 ILE H . . 3.900 3.270 2.937 3.510 . 0 0 "[ . 1 . 2 . 3]" 1 1633 1 28 GLU HB2 1 29 ILE H 3.860 . 3.860 2.864 2.432 3.897 0.037 9 0 "[ . 1 . 2 . 3]" 1 1634 1 28 GLU HB3 1 29 ILE H 3.870 . 3.870 3.527 3.295 3.807 . 0 0 "[ . 1 . 2 . 3]" 1 1635 1 29 ILE H 1 29 ILE HB 3.070 . 3.070 2.563 2.435 2.632 . 0 0 "[ . 1 . 2 . 3]" 1 1636 1 26 LEU HB3 1 29 ILE H 4.650 . 4.650 4.391 4.218 4.675 0.025 6 0 "[ . 1 . 2 . 3]" 1 1637 1 25 LEU MD2 1 29 ILE H 5.020 . 5.020 4.337 3.469 5.158 0.138 22 0 "[ . 1 . 2 . 3]" 1 1638 1 25 LEU MD1 1 29 ILE H 3.750 . 3.750 3.317 3.186 3.465 . 0 0 "[ . 1 . 2 . 3]" 1 1639 1 90 ARG H 1 91 ALA H . . 3.300 2.642 2.538 2.699 . 0 0 "[ . 1 . 2 . 3]" 1 1640 1 89 TRP H 1 91 ALA H . . 4.700 4.070 3.897 4.207 . 0 0 "[ . 1 . 2 . 3]" 1 1641 1 91 ALA H 1 94 GLY H 4.770 . 4.770 4.639 4.462 4.830 0.060 27 0 "[ . 1 . 2 . 3]" 1 1642 1 91 ALA H 1 93 ASN H . . 4.700 4.101 3.843 4.308 . 0 0 "[ . 1 . 2 . 3]" 1 1643 1 90 ARG HD3 1 91 ALA H 5.700 . 5.700 5.454 4.261 5.717 0.017 27 0 "[ . 1 . 2 . 3]" 1 1644 1 90 ARG HB2 1 91 ALA H 3.620 . 3.620 3.340 2.838 3.661 0.041 21 0 "[ . 1 . 2 . 3]" 1 1645 1 91 ALA H 1 91 ALA MB 3.230 . 3.230 2.226 2.181 2.278 . 0 0 "[ . 1 . 2 . 3]" 1 1646 1 86 ILE H 1 87 LYS H . . 3.300 2.741 2.639 2.877 . 0 0 "[ . 1 . 2 . 3]" 1 1647 1 87 LYS H 1 98 PHE QE 4.860 . 4.860 3.120 2.469 3.957 . 0 0 "[ . 1 . 2 . 3]" 1 1648 1 83 VAL HA 1 87 LYS H . . 4.700 4.023 3.774 4.298 . 0 0 "[ . 1 . 2 . 3]" 1 1649 1 84 LYS QE 1 87 LYS H 5.370 . 5.370 4.357 3.648 4.708 . 0 0 "[ . 1 . 2 . 3]" 1 1650 1 87 LYS H 1 87 LYS QB 3.040 . 3.040 2.443 2.137 2.548 . 0 0 "[ . 1 . 2 . 3]" 1 1651 1 86 ILE HG12 1 87 LYS H 3.860 . 3.860 3.683 3.472 4.023 0.163 10 0 "[ . 1 . 2 . 3]" 1 1652 1 87 LYS H 1 87 LYS HG3 5.050 . 5.050 3.685 3.330 4.222 . 0 0 "[ . 1 . 2 . 3]" 1 1653 1 86 ILE HG13 1 87 LYS H 5.700 . 5.700 4.929 4.210 5.111 . 0 0 "[ . 1 . 2 . 3]" 1 1654 1 83 VAL MG2 1 87 LYS H 4.940 . 4.940 4.017 3.674 4.359 . 0 0 "[ . 1 . 2 . 3]" 1 1655 1 22 PHE QD 1 23 VAL H 4.980 . 4.980 3.859 3.411 4.307 . 0 0 "[ . 1 . 2 . 3]" 1 1656 1 22 PHE QB 1 23 VAL H 3.850 . 3.850 2.480 2.129 2.630 . 0 0 "[ . 1 . 2 . 3]" 1 1657 1 23 VAL H 1 23 VAL HB 3.170 . 3.170 2.777 2.168 3.200 0.030 20 0 "[ . 1 . 2 . 3]" 1 1658 1 23 VAL H 1 23 VAL MG1 3.480 . 3.480 2.125 2.021 2.226 . 0 0 "[ . 1 . 2 . 3]" 1 1659 1 23 VAL H 1 23 VAL MG2 4.230 . 4.230 2.696 2.469 3.818 . 0 0 "[ . 1 . 2 . 3]" 1 1660 1 74 GLY H 1 75 ASP H 5.080 . 5.080 3.597 1.844 4.542 . 0 0 "[ . 1 . 2 . 3]" 1 1661 1 42 ASP HB3 1 43 VAL H 4.040 . 4.040 2.982 2.419 3.942 . 0 0 "[ . 1 . 2 . 3]" 1 1662 1 43 VAL H 1 43 VAL HB 3.440 . 3.440 2.638 2.549 2.778 . 0 0 "[ . 1 . 2 . 3]" 1 1663 1 41 LEU HB2 1 43 VAL H 5.470 . 5.470 3.972 3.721 4.208 . 0 0 "[ . 1 . 2 . 3]" 1 1664 1 43 VAL H 1 43 VAL MG1 3.860 . 3.860 3.727 3.650 3.790 . 0 0 "[ . 1 . 2 . 3]" 1 1665 1 47 HIS H 1 48 PHE H . . 3.300 2.626 2.561 2.692 . 0 0 "[ . 1 . 2 . 3]" 1 1666 1 47 HIS H 1 47 HIS HB2 3.460 . 3.460 2.405 2.277 2.477 . 0 0 "[ . 1 . 2 . 3]" 1 1667 1 47 HIS H 1 47 HIS HB3 3.410 . 3.410 2.529 2.454 2.693 . 0 0 "[ . 1 . 2 . 3]" 1 1668 1 46 GLU H 1 46 GLU HB3 3.520 . 3.520 2.958 2.663 3.126 . 0 0 "[ . 1 . 2 . 3]" 1 1669 1 29 ILE MD 1 47 HIS H 5.110 . 5.110 4.566 4.397 4.777 . 0 0 "[ . 1 . 2 . 3]" 1 1670 1 84 LYS H 1 87 LYS H 5.550 . 5.550 4.581 4.462 4.732 . 0 0 "[ . 1 . 2 . 3]" 1 1671 1 83 VAL H 1 84 LYS H . . 3.300 2.588 2.484 2.747 . 0 0 "[ . 1 . 2 . 3]" 1 1672 1 84 LYS H 1 85 GLU H . . 3.300 2.730 2.540 2.854 . 0 0 "[ . 1 . 2 . 3]" 1 1673 1 83 VAL HB 1 84 LYS H 3.430 . 3.430 3.608 3.444 3.697 0.267 30 0 "[ . 1 . 2 . 3]" 1 1674 1 84 LYS H 1 84 LYS QB 2.880 . 2.880 2.253 2.150 2.343 . 0 0 "[ . 1 . 2 . 3]" 1 1675 1 84 LYS H 1 84 LYS QD 4.480 . 4.480 4.442 4.225 4.580 0.100 5 0 "[ . 1 . 2 . 3]" 1 1676 1 83 VAL MG1 1 84 LYS H 4.770 . 4.770 2.721 1.667 4.074 . 0 0 "[ . 1 . 2 . 3]" 1 1677 1 83 VAL MG2 1 84 LYS H 4.180 . 4.180 2.665 2.016 3.373 . 0 0 "[ . 1 . 2 . 3]" 1 1678 1 52 THR HA 1 54 HIS H 4.180 . 4.180 3.351 2.784 4.216 0.036 8 0 "[ . 1 . 2 . 3]" 1 1679 1 49 VAL HA 1 54 HIS H 5.210 . 5.210 3.361 3.158 3.650 . 0 0 "[ . 1 . 2 . 3]" 1 1680 1 54 HIS H 1 54 HIS HB2 3.750 . 3.750 2.512 2.359 2.930 . 0 0 "[ . 1 . 2 . 3]" 1 1681 1 53 GLU HG3 1 54 HIS H 3.760 . 3.760 2.613 2.534 2.737 . 0 0 "[ . 1 . 2 . 3]" 1 1682 1 52 THR MG 1 54 HIS H 5.700 . 5.700 3.425 1.682 4.898 . 0 0 "[ . 1 . 2 . 3]" 1 1683 1 63 GLU H 1 65 ALA H . . 4.700 4.262 4.113 4.465 . 0 0 "[ . 1 . 2 . 3]" 1 1684 1 63 GLU H 1 64 ALA H . . 3.300 2.620 2.550 2.697 . 0 0 "[ . 1 . 2 . 3]" 1 1685 1 61 ILE H 1 63 GLU H . . 4.700 4.116 3.998 4.223 . 0 0 "[ . 1 . 2 . 3]" 1 1686 1 59 ALA HA 1 63 GLU H 4.360 . 4.360 3.681 3.396 3.933 . 0 0 "[ . 1 . 2 . 3]" 1 1687 1 60 LEU HA 1 63 GLU H . . 3.900 3.497 3.226 3.783 . 0 0 "[ . 1 . 2 . 3]" 1 1688 1 62 TYR HB2 1 63 GLU H 4.550 . 4.550 2.773 2.528 3.016 . 0 0 "[ . 1 . 2 . 3]" 1 1689 1 62 TYR HB3 1 63 GLU H 4.220 . 4.220 3.292 3.037 3.574 . 0 0 "[ . 1 . 2 . 3]" 1 1690 1 63 GLU H 1 63 GLU HB3 3.430 . 3.430 2.888 2.723 3.489 0.059 8 0 "[ . 1 . 2 . 3]" 1 1691 1 59 ALA MB 1 63 GLU H 4.510 . 4.510 3.672 3.592 3.761 . 0 0 "[ . 1 . 2 . 3]" 1 1692 1 40 VAL H 1 41 LEU H . . 3.300 2.215 1.987 2.409 . 0 0 "[ . 1 . 2 . 3]" 1 1693 1 39 ASP H 1 40 VAL H . . 3.300 2.772 2.443 2.986 . 0 0 "[ . 1 . 2 . 3]" 1 1694 1 38 ASP HA 1 40 VAL H 4.750 . 4.750 4.845 4.797 4.895 0.145 22 0 "[ . 1 . 2 . 3]" 1 1695 1 39 ASP QB 1 40 VAL H 3.690 . 3.690 2.519 1.866 3.402 . 0 0 "[ . 1 . 2 . 3]" 1 1696 1 40 VAL H 1 40 VAL HB 3.150 . 3.150 2.605 2.331 2.864 . 0 0 "[ . 1 . 2 . 3]" 1 1697 1 40 VAL H 1 40 VAL MG1 3.460 . 3.460 2.579 2.000 3.624 0.164 12 0 "[ . 1 . 2 . 3]" 1 1698 1 84 LYS H 1 84 LYS QE 5.550 . 5.550 4.475 3.605 5.588 0.038 17 0 "[ . 1 . 2 . 3]" 1 1699 1 42 ASP HA 1 45 LEU H . . 3.900 3.391 2.997 3.776 . 0 0 "[ . 1 . 2 . 3]" 1 1700 1 43 VAL HA 1 45 LEU H . . 4.900 4.655 4.577 4.778 . 0 0 "[ . 1 . 2 . 3]" 1 1701 1 45 LEU H 1 45 LEU HG 3.960 . 3.960 2.438 2.332 2.624 . 0 0 "[ . 1 . 2 . 3]" 1 1702 1 45 LEU H 1 45 LEU HB3 4.340 . 4.340 3.527 3.487 3.570 . 0 0 "[ . 1 . 2 . 3]" 1 1703 1 41 LEU MD1 1 45 LEU H 5.210 . 5.210 4.179 3.977 4.388 . 0 0 "[ . 1 . 2 . 3]" 1 1704 1 44 LEU MD1 1 45 LEU H 5.130 . 5.130 4.400 4.277 4.570 . 0 0 "[ . 1 . 2 . 3]" 1 1705 1 43 VAL H 1 45 LEU H . . 4.700 4.055 3.950 4.135 . 0 0 "[ . 1 . 2 . 3]" 1 1706 1 45 LEU H 1 46 GLU H . . 3.300 2.755 2.692 2.861 . 0 0 "[ . 1 . 2 . 3]" 1 1707 1 45 LEU HB3 1 46 GLU H 4.100 . 4.100 3.402 3.174 3.579 . 0 0 "[ . 1 . 2 . 3]" 1 1708 1 94 GLY QA 1 95 LYS H 3.580 . 3.580 2.791 2.591 2.900 . 0 0 "[ . 1 . 2 . 3]" 1 1709 1 90 ARG HA 1 95 LYS H 4.600 . 4.600 3.608 3.056 4.264 . 0 0 "[ . 1 . 2 . 3]" 1 1710 1 90 ARG HB2 1 95 LYS H 3.740 . 3.740 2.167 2.019 2.949 . 0 0 "[ . 1 . 2 . 3]" 1 1711 1 90 ARG HB3 1 95 LYS H 4.370 . 4.370 4.235 2.923 4.519 0.149 19 0 "[ . 1 . 2 . 3]" 1 1712 1 95 LYS H 1 95 LYS HB3 3.160 . 3.160 3.295 2.421 3.399 0.239 27 0 "[ . 1 . 2 . 3]" 1 1713 1 93 ASN H 1 95 LYS H 4.480 . 4.480 4.021 3.676 4.237 . 0 0 "[ . 1 . 2 . 3]" 1 1714 1 91 ALA HA 1 95 LYS H 4.170 . 4.170 3.612 2.993 4.191 0.021 18 0 "[ . 1 . 2 . 3]" 1 1715 1 95 LYS H 1 96 PRO HD3 5.400 . 5.400 4.841 4.554 5.077 . 0 0 "[ . 1 . 2 . 3]" 1 1716 1 17 TYR QD 1 21 GLU H 5.200 . 5.200 4.462 4.251 4.694 . 0 0 "[ . 1 . 2 . 3]" 1 1717 1 17 TYR HA 1 21 GLU H 5.330 . 5.330 4.208 4.044 4.301 . 0 0 "[ . 1 . 2 . 3]" 1 1718 1 18 THR HB 1 21 GLU H 4.190 . 4.190 3.547 3.264 3.915 . 0 0 "[ . 1 . 2 . 3]" 1 1719 1 17 TYR QB 1 21 GLU H 5.020 . 5.020 4.407 4.153 4.647 . 0 0 "[ . 1 . 2 . 3]" 1 1720 1 21 GLU H 1 22 PHE QB 5.160 . 5.160 4.310 4.171 4.518 . 0 0 "[ . 1 . 2 . 3]" 1 1721 1 21 GLU H 1 21 GLU HB2 3.390 . 3.390 2.324 2.125 2.521 . 0 0 "[ . 1 . 2 . 3]" 1 1722 1 21 GLU H 1 21 GLU HG2 3.590 . 3.590 2.731 2.377 3.399 . 0 0 "[ . 1 . 2 . 3]" 1 1723 1 21 GLU H 1 21 GLU HB3 3.860 . 3.860 3.588 3.391 3.694 . 0 0 "[ . 1 . 2 . 3]" 1 1724 1 20 ALA MB 1 21 GLU H 3.740 . 3.740 2.689 2.539 2.766 . 0 0 "[ . 1 . 2 . 3]" 1 1725 1 18 THR MG 1 21 GLU H 4.860 . 4.860 3.855 3.603 4.040 . 0 0 "[ . 1 . 2 . 3]" 1 1726 1 87 LYS H 1 88 GLU H . . 3.300 2.621 2.513 2.706 . 0 0 "[ . 1 . 2 . 3]" 1 1727 1 85 GLU H 1 88 GLU H 5.700 . 5.700 4.906 4.670 5.210 . 0 0 "[ . 1 . 2 . 3]" 1 1728 1 84 LYS QE 1 88 GLU H 5.700 . 5.700 4.535 4.228 5.012 . 0 0 "[ . 1 . 2 . 3]" 1 1729 1 88 GLU H 1 88 GLU HG2 3.850 . 3.850 3.374 3.165 3.597 . 0 0 "[ . 1 . 2 . 3]" 1 1730 1 87 LYS QB 1 88 GLU H 3.560 . 3.560 3.512 3.318 3.576 0.016 7 0 "[ . 1 . 2 . 3]" 1 1731 1 87 LYS QD 1 88 GLU H 5.120 . 5.120 4.159 3.929 4.449 . 0 0 "[ . 1 . 2 . 3]" 1 1732 1 22 PHE QE 1 86 ILE H 5.700 . 5.700 4.621 4.286 5.473 . 0 0 "[ . 1 . 2 . 3]" 1 1733 1 86 ILE H 1 87 LYS HA 5.700 . 5.700 5.286 5.214 5.407 . 0 0 "[ . 1 . 2 . 3]" 1 1734 1 83 VAL HA 1 86 ILE H . . 3.900 3.352 3.190 3.559 . 0 0 "[ . 1 . 2 . 3]" 1 1735 1 85 GLU HB3 1 86 ILE H 3.140 . 3.140 2.813 2.509 3.276 0.136 4 0 "[ . 1 . 2 . 3]" 1 1736 1 86 ILE H 1 86 ILE HG12 3.610 . 3.610 2.441 2.172 3.610 . 0 0 "[ . 1 . 2 . 3]" 1 1737 1 86 ILE H 1 86 ILE HG13 3.930 . 3.930 3.564 2.093 3.785 . 0 0 "[ . 1 . 2 . 3]" 1 1738 1 86 ILE H 1 86 ILE MD 4.340 . 4.340 3.400 3.115 3.750 . 0 0 "[ . 1 . 2 . 3]" 1 1739 1 60 LEU MD1 1 86 ILE H 5.700 . 5.700 3.716 3.414 4.369 . 0 0 "[ . 1 . 2 . 3]" 1 1740 1 66 ALA H 1 67 ARG H 2.990 . 2.990 2.324 2.254 2.362 . 0 0 "[ . 1 . 2 . 3]" 1 1741 1 67 ARG H 1 67 ARG HD3 5.310 . 5.310 3.967 3.517 4.937 . 0 0 "[ . 1 . 2 . 3]" 1 1742 1 67 ARG H 1 67 ARG QB 2.870 . 2.870 2.379 2.229 2.485 . 0 0 "[ . 1 . 2 . 3]" 1 1743 1 66 ALA MB 1 67 ARG H 3.370 . 3.370 2.486 2.383 2.639 . 0 0 "[ . 1 . 2 . 3]" 1 1744 1 26 LEU HA 1 30 GLU H . . 4.700 4.151 3.745 4.470 . 0 0 "[ . 1 . 2 . 3]" 1 1745 1 30 GLU H 1 30 GLU HG2 3.950 . 3.950 3.495 2.620 4.106 0.156 12 0 "[ . 1 . 2 . 3]" 1 1746 1 30 GLU H 1 30 GLU QB 2.980 . 2.980 2.222 1.851 2.507 . 0 0 "[ . 1 . 2 . 3]" 1 1747 1 29 ILE HB 1 30 GLU H 3.470 . 3.470 2.567 2.309 2.755 . 0 0 "[ . 1 . 2 . 3]" 1 1748 1 25 LEU MD2 1 30 GLU H 5.700 . 5.700 4.997 3.832 5.709 0.009 2 0 "[ . 1 . 2 . 3]" 1 1749 1 26 LEU MD2 1 30 GLU H 4.140 . 4.140 3.526 3.252 3.713 . 0 0 "[ . 1 . 2 . 3]" 1 1750 1 31 LYS H 1 33 ASN QB 5.390 . 5.390 4.633 4.258 5.025 . 0 0 "[ . 1 . 2 . 3]" 1 1751 1 29 ILE HA 1 31 LYS H . . 4.900 4.285 4.100 4.494 . 0 0 "[ . 1 . 2 . 3]" 1 1752 1 31 LYS H 1 31 LYS QB 2.920 . 2.920 2.149 2.007 2.376 . 0 0 "[ . 1 . 2 . 3]" 1 1753 1 68 ALA HA 1 69 ALA H 3.110 . 3.110 2.704 2.677 2.748 . 0 0 "[ . 1 . 2 . 3]" 1 1754 1 68 ALA MB 1 69 ALA H 2.990 . 2.990 2.127 2.040 2.195 . 0 0 "[ . 1 . 2 . 3]" 1 1755 1 39 ASP H 1 39 ASP QB 3.140 . 3.140 2.430 2.264 2.709 . 0 0 "[ . 1 . 2 . 3]" 1 1756 1 19 GLU H 1 20 ALA H . . 3.300 2.756 2.606 2.876 . 0 0 "[ . 1 . 2 . 3]" 1 1757 1 20 ALA H 1 21 GLU H 3.210 . 3.210 2.439 2.261 2.511 . 0 0 "[ . 1 . 2 . 3]" 1 1758 1 18 THR HA 1 20 ALA H 4.570 . 4.570 4.442 4.140 4.590 0.020 1 0 "[ . 1 . 2 . 3]" 1 1759 1 18 THR HB 1 20 ALA H 3.160 . 3.160 2.864 2.607 3.097 . 0 0 "[ . 1 . 2 . 3]" 1 1760 1 19 GLU QB 1 20 ALA H 3.620 . 3.620 3.312 2.141 3.618 . 0 0 "[ . 1 . 2 . 3]" 1 1761 1 20 ALA H 1 20 ALA MB 3.100 . 3.100 2.271 2.228 2.294 . 0 0 "[ . 1 . 2 . 3]" 1 1762 1 18 THR MG 1 20 ALA H 4.500 . 4.500 4.123 3.917 4.371 . 0 0 "[ . 1 . 2 . 3]" 1 1763 1 28 GLU HB2 1 31 LYS H 5.420 . 5.420 4.113 2.704 4.617 . 0 0 "[ . 1 . 2 . 3]" 1 1764 1 31 LYS H 1 33 ASN H 4.550 . 4.550 3.451 3.241 3.600 . 0 0 "[ . 1 . 2 . 3]" 1 1765 1 33 ASN H 1 41 LEU MD2 4.590 . 4.590 3.243 2.730 4.241 . 0 0 "[ . 1 . 2 . 3]" 1 1766 1 31 LYS H 1 32 GLU H . . 3.300 2.774 2.632 3.003 . 0 0 "[ . 1 . 2 . 3]" 1 1767 1 29 ILE HA 1 32 GLU H . . 3.900 3.518 3.273 3.870 . 0 0 "[ . 1 . 2 . 3]" 1 1768 1 32 GLU H 1 33 ASN QB 5.320 . 5.320 4.277 3.860 4.516 . 0 0 "[ . 1 . 2 . 3]" 1 1769 1 32 GLU H 1 32 GLU HG2 3.790 . 3.790 3.159 2.181 3.839 0.049 7 0 "[ . 1 . 2 . 3]" 1 1770 1 32 GLU H 1 32 GLU HG3 3.820 . 3.820 3.181 1.860 3.902 0.082 19 0 "[ . 1 . 2 . 3]" 1 1771 1 32 GLU H 1 32 GLU HB3 3.480 . 3.480 3.355 2.893 3.589 0.109 29 0 "[ . 1 . 2 . 3]" 1 1772 1 32 GLU H 1 41 LEU MD2 5.250 . 5.250 4.466 3.812 5.399 0.149 17 0 "[ . 1 . 2 . 3]" 1 1773 1 29 ILE MG 1 32 GLU H 5.660 . 5.660 3.734 3.384 4.013 . 0 0 "[ . 1 . 2 . 3]" 1 1774 1 82 ILE H 1 83 VAL H . . 3.300 2.554 2.274 2.769 . 0 0 "[ . 1 . 2 . 3]" 1 1775 1 22 PHE QD 1 83 VAL H 5.700 . 5.700 4.575 3.995 5.584 . 0 0 "[ . 1 . 2 . 3]" 1 1776 1 80 GLU HA 1 83 VAL H . . 3.900 3.707 3.386 3.985 0.085 24 0 "[ . 1 . 2 . 3]" 1 1777 1 83 VAL H 1 83 VAL HB 3.210 . 3.210 2.956 2.470 3.408 0.198 5 0 "[ . 1 . 2 . 3]" 1 1778 1 82 ILE HG12 1 83 VAL H 5.070 . 5.070 3.594 2.299 4.189 . 0 0 "[ . 1 . 2 . 3]" 1 1779 1 83 VAL H 1 83 VAL MG1 3.580 . 3.580 2.026 1.799 2.648 . 0 0 "[ . 1 . 2 . 3]" 1 1780 1 26 LEU MD1 1 83 VAL H 3.710 . 3.710 1.993 1.615 2.435 . 0 0 "[ . 1 . 2 . 3]" 1 1781 1 25 LEU H 1 26 LEU H . . 3.300 2.551 2.446 2.659 . 0 0 "[ . 1 . 2 . 3]" 1 1782 1 23 VAL HA 1 26 LEU H . . 3.900 3.226 2.837 3.584 . 0 0 "[ . 1 . 2 . 3]" 1 1783 1 23 VAL HB 1 26 LEU H 4.780 . 4.780 4.260 4.132 4.659 . 0 0 "[ . 1 . 2 . 3]" 1 1784 1 26 LEU H 1 26 LEU HB2 4.010 . 4.010 2.161 2.074 2.288 . 0 0 "[ . 1 . 2 . 3]" 1 1785 1 25 LEU HB2 1 26 LEU H 3.600 . 3.600 3.665 3.522 3.718 0.118 26 0 "[ . 1 . 2 . 3]" 1 1786 1 25 LEU HB3 1 26 LEU H 3.280 . 3.280 2.199 1.955 2.557 . 0 0 "[ . 1 . 2 . 3]" 1 1787 1 26 LEU H 1 26 LEU HB3 3.660 . 3.660 3.438 2.517 3.543 . 0 0 "[ . 1 . 2 . 3]" 1 1788 1 23 VAL MG2 1 26 LEU H 4.190 . 4.190 3.090 2.166 3.563 . 0 0 "[ . 1 . 2 . 3]" 1 1789 1 26 LEU H 1 26 LEU MD2 4.240 . 4.240 3.098 2.316 3.882 . 0 0 "[ . 1 . 2 . 3]" 1 1790 1 22 PHE QD 1 26 LEU H 5.700 . 5.700 4.913 4.557 5.234 . 0 0 "[ . 1 . 2 . 3]" 1 1791 1 84 LYS QE 1 85 GLU H 5.700 . 5.700 4.854 3.369 5.562 . 0 0 "[ . 1 . 2 . 3]" 1 1792 1 69 ALA H 1 70 ALA H 3.190 . 3.190 2.660 2.442 2.773 . 0 0 "[ . 1 . 2 . 3]" 1 1793 1 69 ALA HA 1 70 ALA H 3.700 . 3.700 3.512 3.410 3.548 . 0 0 "[ . 1 . 2 . 3]" 1 1794 1 33 ASN H 1 34 VAL H 3.890 . 3.890 2.663 2.422 2.939 . 0 0 "[ . 1 . 2 . 3]" 1 1795 1 33 ASN H 1 33 ASN QB 3.140 . 3.140 2.277 2.148 2.374 . 0 0 "[ . 1 . 2 . 3]" 1 1796 1 85 GLU H 1 86 ILE H . . 3.300 2.608 2.414 2.721 . 0 0 "[ . 1 . 2 . 3]" 1 1797 1 82 ILE HA 1 85 GLU H . . 3.900 3.220 2.808 3.635 . 0 0 "[ . 1 . 2 . 3]" 1 1798 1 83 VAL HA 1 85 GLU H . . 4.900 4.392 4.172 4.580 . 0 0 "[ . 1 . 2 . 3]" 1 1799 1 85 GLU H 1 85 GLU HB2 3.310 . 3.310 2.370 2.186 2.590 . 0 0 "[ . 1 . 2 . 3]" 1 1800 1 84 LYS QB 1 85 GLU H 3.170 . 3.170 2.470 2.310 2.751 . 0 0 "[ . 1 . 2 . 3]" 1 1801 1 84 LYS QD 1 85 GLU H 4.800 . 4.800 4.392 3.946 4.868 0.068 30 0 "[ . 1 . 2 . 3]" 1 1802 1 83 VAL MG2 1 85 GLU H 5.250 . 5.250 4.385 4.087 4.662 . 0 0 "[ . 1 . 2 . 3]" 1 1803 1 85 GLU H 1 87 LYS H . . 4.700 4.175 4.061 4.254 . 0 0 "[ . 1 . 2 . 3]" 1 1804 1 69 ALA MB 1 70 ALA H 3.070 . 3.070 2.143 2.020 2.303 . 0 0 "[ . 1 . 2 . 3]" 1 1805 1 89 TRP H 1 90 ARG H . . 3.300 2.577 2.423 2.795 . 0 0 "[ . 1 . 2 . 3]" 1 1806 1 89 TRP HE3 1 90 ARG H 4.590 . 4.590 3.161 2.804 3.320 . 0 0 "[ . 1 . 2 . 3]" 1 1807 1 89 TRP HZ3 1 90 ARG H 5.530 . 5.530 5.452 5.052 5.593 0.063 5 0 "[ . 1 . 2 . 3]" 1 1808 1 89 TRP HB2 1 90 ARG H 4.650 . 4.650 3.593 3.431 3.897 . 0 0 "[ . 1 . 2 . 3]" 1 1809 1 90 ARG H 1 90 ARG HD3 5.130 . 5.130 4.125 2.062 5.174 0.044 6 0 "[ . 1 . 2 . 3]" 1 1810 1 88 GLU HB2 1 90 ARG H 4.440 . 4.440 4.232 4.047 4.365 . 0 0 "[ . 1 . 2 . 3]" 1 1811 1 90 ARG H 1 90 ARG HB2 3.530 . 3.530 2.248 1.995 2.793 . 0 0 "[ . 1 . 2 . 3]" 1 1812 1 87 LYS HA 1 90 ARG H . . 3.900 3.570 3.334 3.812 . 0 0 "[ . 1 . 2 . 3]" 1 1813 1 90 ARG H 1 90 ARG HB3 4.240 . 4.240 2.993 2.678 3.803 . 0 0 "[ . 1 . 2 . 3]" 1 1814 1 48 PHE H 1 49 VAL H . . 3.300 2.809 2.760 2.876 . 0 0 "[ . 1 . 2 . 3]" 1 1815 1 48 PHE H 1 48 PHE QD 4.900 . 4.900 4.019 3.969 4.056 . 0 0 "[ . 1 . 2 . 3]" 1 1816 1 44 LEU HA 1 48 PHE H 4.220 . 4.220 3.298 3.218 3.432 . 0 0 "[ . 1 . 2 . 3]" 1 1817 1 47 HIS HB3 1 48 PHE H 4.490 . 4.490 2.446 2.331 2.667 . 0 0 "[ . 1 . 2 . 3]" 1 1818 1 48 PHE H 1 48 PHE HB3 3.760 . 3.760 2.159 2.104 2.215 . 0 0 "[ . 1 . 2 . 3]" 1 1819 1 44 LEU HB3 1 48 PHE H 5.700 . 5.700 3.797 3.730 3.889 . 0 0 "[ . 1 . 2 . 3]" 1 1820 1 29 ILE MD 1 48 PHE H 5.190 . 5.190 3.530 3.323 3.794 . 0 0 "[ . 1 . 2 . 3]" 1 1821 1 62 TYR H 1 63 GLU H . . 3.300 2.812 2.766 2.884 . 0 0 "[ . 1 . 2 . 3]" 1 1822 1 62 TYR H 1 62 TYR QD 4.080 . 4.080 2.711 2.077 3.231 . 0 0 "[ . 1 . 2 . 3]" 1 1823 1 61 ILE H 1 62 TYR H . . 3.300 2.490 2.402 2.543 . 0 0 "[ . 1 . 2 . 3]" 1 1824 1 59 ALA HA 1 62 TYR H 3.600 . 3.600 3.347 3.041 3.569 . 0 0 "[ . 1 . 2 . 3]" 1 1825 1 62 TYR H 1 62 TYR HB2 3.970 . 3.970 2.178 2.110 2.300 . 0 0 "[ . 1 . 2 . 3]" 1 1826 1 62 TYR H 1 62 TYR HB3 3.580 . 3.580 3.478 3.434 3.530 . 0 0 "[ . 1 . 2 . 3]" 1 1827 1 45 LEU MD2 1 62 TYR H 4.990 . 4.990 4.169 3.839 4.375 . 0 0 "[ . 1 . 2 . 3]" 1 1828 1 61 ILE MG 1 62 TYR H 4.430 . 4.430 3.277 2.837 3.610 . 0 0 "[ . 1 . 2 . 3]" 1 1829 1 14 ILE H 1 16 ASP H 5.250 . 5.250 4.447 4.227 4.726 . 0 0 "[ . 1 . 2 . 3]" 1 1830 1 15 SER H 1 16 ASP H 3.520 . 3.520 2.518 2.452 2.588 . 0 0 "[ . 1 . 2 . 3]" 1 1831 1 15 SER QB 1 16 ASP H 4.550 . 4.550 3.230 2.871 3.754 . 0 0 "[ . 1 . 2 . 3]" 1 1832 1 16 ASP H 1 16 ASP HB3 3.200 . 3.200 2.762 2.696 2.830 . 0 0 "[ . 1 . 2 . 3]" 1 1833 1 11 LYS HB2 1 16 ASP H 4.820 . 4.820 4.103 3.736 4.610 . 0 0 "[ . 1 . 2 . 3]" 1 1834 1 11 LYS HB3 1 16 ASP H 5.390 . 5.390 3.893 3.596 4.179 . 0 0 "[ . 1 . 2 . 3]" 1 1835 1 14 ILE MG 1 16 ASP H 5.470 . 5.470 4.508 4.337 4.756 . 0 0 "[ . 1 . 2 . 3]" 1 1836 1 23 VAL H 1 24 GLN H . . 3.300 2.738 2.647 2.827 . 0 0 "[ . 1 . 2 . 3]" 1 1837 1 24 GLN H 1 26 LEU H . . 4.700 3.981 3.811 4.122 . 0 0 "[ . 1 . 2 . 3]" 1 1838 1 20 ALA HA 1 24 GLN H 3.750 . 3.750 3.314 3.059 3.505 . 0 0 "[ . 1 . 2 . 3]" 1 1839 1 24 GLN H 1 24 GLN QG 3.680 . 3.680 3.757 2.305 3.840 0.160 13 0 "[ . 1 . 2 . 3]" 1 1840 1 23 VAL HB 1 24 GLN H 2.840 . 2.840 2.362 2.100 2.688 . 0 0 "[ . 1 . 2 . 3]" 1 1841 1 23 VAL MG1 1 24 GLN H 4.650 . 4.650 3.837 2.536 4.003 . 0 0 "[ . 1 . 2 . 3]" 1 1842 1 23 VAL MG2 1 24 GLN H 4.200 . 4.200 2.485 2.238 3.887 . 0 0 "[ . 1 . 2 . 3]" 1 1843 1 80 GLU H 1 81 GLY H . . 3.300 2.604 2.322 2.865 . 0 0 "[ . 1 . 2 . 3]" 1 1844 1 80 GLU H 1 80 GLU HG2 4.490 . 4.490 3.346 1.958 3.541 . 0 0 "[ . 1 . 2 . 3]" 1 1845 1 80 GLU H 1 80 GLU HG3 3.990 . 3.990 2.256 1.989 3.517 . 0 0 "[ . 1 . 2 . 3]" 1 1846 1 79 PRO HG2 1 80 GLU H 3.240 . 3.240 2.470 2.051 3.269 0.029 6 0 "[ . 1 . 2 . 3]" 1 1847 1 23 VAL MG1 1 80 GLU H 5.700 . 5.700 4.429 3.956 5.721 0.021 6 0 "[ . 1 . 2 . 3]" 1 1848 1 23 VAL MG2 1 80 GLU H 5.020 . 5.020 5.001 3.478 5.159 0.139 30 0 "[ . 1 . 2 . 3]" 1 1849 1 100 GLN H 1 101 GLY H 4.450 . 4.450 4.211 2.181 4.456 0.006 25 0 "[ . 1 . 2 . 3]" 1 1850 1 100 GLN HA 1 101 GLY H 2.900 . 2.900 2.196 2.010 3.022 0.122 16 0 "[ . 1 . 2 . 3]" 1 1851 1 100 GLN QG 1 101 GLY H 4.730 . 4.730 3.969 2.889 4.583 . 0 0 "[ . 1 . 2 . 3]" 1 1852 1 100 GLN HB2 1 101 GLY H 4.020 . 4.020 4.075 4.025 4.139 0.119 17 0 "[ . 1 . 2 . 3]" 1 1853 1 99 LYS HG3 1 101 GLY H 4.380 . 4.380 4.414 4.009 4.478 0.098 11 0 "[ . 1 . 2 . 3]" 1 1854 1 18 THR MG 1 101 GLY H 4.720 . 4.720 3.117 2.299 3.755 . 0 0 "[ . 1 . 2 . 3]" 1 1855 1 12 ASN H 1 13 SER H 3.640 . 3.640 2.105 1.841 2.566 . 0 0 "[ . 1 . 2 . 3]" 1 1856 1 11 LYS H 1 12 ASN H 5.160 . 5.160 3.745 2.376 4.139 . 0 0 "[ . 1 . 2 . 3]" 1 1857 1 12 ASN H 1 12 ASN HD22 5.400 . 5.400 4.197 3.383 4.651 . 0 0 "[ . 1 . 2 . 3]" 1 1858 1 11 LYS HA 1 12 ASN H 3.240 . 3.240 2.663 2.273 2.884 . 0 0 "[ . 1 . 2 . 3]" 1 1859 1 12 ASN H 1 12 ASN QB 3.290 . 3.290 2.560 2.315 3.009 . 0 0 "[ . 1 . 2 . 3]" 1 1860 1 11 LYS HB2 1 12 ASN H 3.830 . 3.830 2.987 2.607 3.654 . 0 0 "[ . 1 . 2 . 3]" 1 1861 1 11 LYS HB3 1 12 ASN H 4.310 . 4.310 2.257 1.898 2.979 . 0 0 "[ . 1 . 2 . 3]" 1 1862 1 11 LYS HD2 1 12 ASN H 4.670 . 4.670 4.262 3.713 4.676 0.006 15 0 "[ . 1 . 2 . 3]" 1 1863 1 42 ASP H 1 43 VAL H . . 3.300 2.573 2.422 2.657 . 0 0 "[ . 1 . 2 . 3]" 1 1864 1 42 ASP H 1 42 ASP HB3 3.360 . 3.360 2.798 2.462 3.514 0.154 5 0 "[ . 1 . 2 . 3]" 1 1865 1 32 GLU HB2 1 42 ASP H 5.340 . 5.340 4.763 4.571 4.928 . 0 0 "[ . 1 . 2 . 3]" 1 1866 1 41 LEU HB2 1 42 ASP H 3.680 . 3.680 3.717 3.670 3.788 0.108 13 0 "[ . 1 . 2 . 3]" 1 1867 1 41 LEU HB3 1 42 ASP H 3.950 . 3.950 2.409 2.304 2.522 . 0 0 "[ . 1 . 2 . 3]" 1 1868 1 41 LEU QD 1 42 ASP H 4.810 . 4.810 3.037 2.795 3.308 . 0 0 "[ . 1 . 2 . 3]" 1 1869 1 38 ASP HA 1 42 ASP H 5.700 . 5.700 3.456 3.036 3.909 . 0 0 "[ . 1 . 2 . 3]" 1 1870 1 98 PHE H 1 98 PHE QD 4.070 . 4.070 2.982 2.050 3.408 . 0 0 "[ . 1 . 2 . 3]" 1 1871 1 98 PHE H 1 98 PHE QE 5.450 . 5.450 4.492 4.164 5.175 . 0 0 "[ . 1 . 2 . 3]" 1 1872 1 97 GLY HA2 1 98 PHE H 3.600 . 3.600 3.188 2.875 3.461 . 0 0 "[ . 1 . 2 . 3]" 1 1873 1 98 PHE H 1 98 PHE HB2 3.290 . 3.290 2.570 2.462 2.736 . 0 0 "[ . 1 . 2 . 3]" 1 1874 1 87 LYS QD 1 98 PHE H 5.250 . 5.250 5.091 4.377 5.325 0.075 30 0 "[ . 1 . 2 . 3]" 1 1875 1 14 ILE MG 1 98 PHE H 5.700 . 5.700 4.978 4.434 5.464 . 0 0 "[ . 1 . 2 . 3]" 1 1876 1 68 ALA HA 1 71 ASN H 4.030 . 4.030 3.683 2.953 4.124 0.094 25 0 "[ . 1 . 2 . 3]" 1 1877 1 71 ASN H 1 72 PRO QD 4.150 . 4.150 3.349 2.374 4.220 0.070 3 0 "[ . 1 . 2 . 3]" 1 1878 1 71 ASN H 1 71 ASN HB3 3.590 . 3.590 3.179 2.320 3.797 0.207 13 0 "[ . 1 . 2 . 3]" 1 1879 1 68 ALA MB 1 71 ASN H 3.820 . 3.820 2.920 1.936 3.501 . 0 0 "[ . 1 . 2 . 3]" 1 1880 1 57 GLY HA2 1 58 THR H 3.570 . 3.570 3.402 3.175 3.459 . 0 0 "[ . 1 . 2 . 3]" 1 1881 1 58 THR H 1 58 THR MG 4.120 . 4.120 3.552 3.105 3.819 . 0 0 "[ . 1 . 2 . 3]" 1 1882 1 45 LEU MD1 1 58 THR H 5.700 . 5.700 3.422 3.152 4.001 . 0 0 "[ . 1 . 2 . 3]" 1 1883 1 60 LEU H 1 61 ILE H . . 3.300 2.735 2.549 2.970 . 0 0 "[ . 1 . 2 . 3]" 1 1884 1 60 LEU H 1 60 LEU HB2 3.480 . 3.480 2.514 2.414 2.569 . 0 0 "[ . 1 . 2 . 3]" 1 1885 1 60 LEU H 1 60 LEU HB3 3.320 . 3.320 2.459 2.185 2.605 . 0 0 "[ . 1 . 2 . 3]" 1 1886 1 60 LEU H 1 60 LEU MD1 4.380 . 4.380 3.841 3.525 3.987 . 0 0 "[ . 1 . 2 . 3]" 1 1887 1 58 THR HA 1 61 ILE H . . 3.900 3.150 2.544 3.460 . 0 0 "[ . 1 . 2 . 3]" 1 1888 1 61 ILE H 1 62 TYR HB3 5.670 . 5.670 5.827 5.790 5.857 0.187 6 0 "[ . 1 . 2 . 3]" 1 1889 1 60 LEU HB2 1 61 ILE H 4.510 . 4.510 2.688 2.415 2.831 . 0 0 "[ . 1 . 2 . 3]" 1 1890 1 58 THR MG 1 61 ILE H 3.500 . 3.500 2.501 2.213 2.772 . 0 0 "[ . 1 . 2 . 3]" 1 1891 1 61 ILE H 1 61 ILE HG12 4.190 . 4.190 3.578 2.508 3.917 . 0 0 "[ . 1 . 2 . 3]" 1 1892 1 60 LEU MD1 1 61 ILE H 4.650 . 4.650 2.907 2.398 3.812 . 0 0 "[ . 1 . 2 . 3]" 1 1893 1 33 ASN QB 1 34 VAL H 4.300 . 4.300 2.506 2.239 2.810 . 0 0 "[ . 1 . 2 . 3]" 1 1894 1 34 VAL H 1 34 VAL HB 4.300 . 4.300 3.610 2.472 3.725 . 0 0 "[ . 1 . 2 . 3]" 1 1895 1 34 VAL H 1 35 ALA MB 5.700 . 5.700 4.280 4.068 4.465 . 0 0 "[ . 1 . 2 . 3]" 1 1896 1 34 VAL H 1 34 VAL MG1 3.990 . 3.990 2.417 2.233 3.783 . 0 0 "[ . 1 . 2 . 3]" 1 1897 1 92 ALA H 1 93 ASN H . . 3.300 2.618 2.470 2.838 . 0 0 "[ . 1 . 2 . 3]" 1 1898 1 93 ASN H 1 94 GLY QA 4.760 . 4.760 4.372 4.204 4.521 . 0 0 "[ . 1 . 2 . 3]" 1 1899 1 90 ARG HA 1 93 ASN H . . 3.900 3.634 3.209 4.013 0.113 27 0 "[ . 1 . 2 . 3]" 1 1900 1 93 ASN H 1 93 ASN HB2 3.820 . 3.820 2.488 2.153 2.902 . 0 0 "[ . 1 . 2 . 3]" 1 1901 1 93 ASN H 1 93 ASN HB3 3.190 . 3.190 2.716 2.559 3.375 0.185 9 0 "[ . 1 . 2 . 3]" 1 1902 1 68 ALA MB 1 71 ASN HD21 5.630 . 5.630 4.279 3.151 5.450 . 0 0 "[ . 1 . 2 . 3]" 1 1903 1 69 ALA HA 1 71 ASN HD21 5.700 . 5.700 4.614 3.295 5.757 0.057 28 0 "[ . 1 . 2 . 3]" 1 1904 1 99 LYS QG 1 100 GLN HE22 5.700 . 5.700 5.528 4.007 5.806 0.106 27 0 "[ . 1 . 2 . 3]" 1 1905 1 71 ASN HD21 1 77 GLY HA3 5.700 . 5.700 4.088 2.255 5.729 0.029 3 0 "[ . 1 . 2 . 3]" 1 1906 1 53 GLU H 1 54 HIS H 4.700 . 4.700 2.547 2.404 2.951 . 0 0 "[ . 1 . 2 . 3]" 1 1907 1 52 THR MG 1 53 GLU H 5.700 . 5.700 3.457 2.345 3.910 . 0 0 "[ . 1 . 2 . 3]" 1 1908 1 51 ILE H 1 53 GLU H . . 4.700 3.756 3.566 4.069 . 0 0 "[ . 1 . 2 . 3]" 1 1909 1 49 VAL HA 1 53 GLU H . . 4.700 3.243 3.016 3.432 . 0 0 "[ . 1 . 2 . 3]" 1 1910 1 53 GLU H 1 53 GLU HG3 4.620 . 4.620 3.365 2.654 4.143 . 0 0 "[ . 1 . 2 . 3]" 1 1911 1 14 ILE H 1 15 SER H 3.730 . 3.730 2.581 2.493 2.666 . 0 0 "[ . 1 . 2 . 3]" 1 1912 1 15 SER H 1 17 TYR H 5.400 . 5.400 3.898 3.681 4.007 . 0 0 "[ . 1 . 2 . 3]" 1 1913 1 15 SER H 1 15 SER QB 3.240 . 3.240 2.379 2.245 2.576 . 0 0 "[ . 1 . 2 . 3]" 1 1914 1 15 SER H 1 16 ASP HB3 5.060 . 5.060 5.109 5.073 5.140 0.080 18 0 "[ . 1 . 2 . 3]" 1 1915 1 14 ILE HB 1 15 SER H 4.400 . 4.400 4.132 4.011 4.299 . 0 0 "[ . 1 . 2 . 3]" 1 1916 1 14 ILE MG 1 15 SER H 3.770 . 3.770 2.700 2.460 3.144 . 0 0 "[ . 1 . 2 . 3]" 1 1917 1 24 GLN HA 1 24 GLN HE21 4.910 . 4.910 4.393 2.839 4.963 0.053 16 0 "[ . 1 . 2 . 3]" 1 1918 1 93 ASN HD21 1 95 LYS HD3 5.700 . 5.700 4.453 2.056 5.773 0.073 7 0 "[ . 1 . 2 . 3]" 1 1919 1 93 ASN HD21 1 95 LYS HE3 4.060 . 4.060 4.005 3.397 4.147 0.087 5 0 "[ . 1 . 2 . 3]" 1 1920 1 93 ASN HD22 1 95 LYS HE3 4.990 . 4.990 3.984 2.663 5.081 0.091 27 0 "[ . 1 . 2 . 3]" 1 1921 1 17 TYR H 1 18 THR H 5.090 . 5.090 4.290 4.201 4.410 . 0 0 "[ . 1 . 2 . 3]" 1 1922 1 18 THR H 1 21 GLU H 4.380 . 4.380 3.430 3.196 3.638 . 0 0 "[ . 1 . 2 . 3]" 1 1923 1 17 TYR QD 1 18 THR H 4.480 . 4.480 3.688 3.377 4.061 . 0 0 "[ . 1 . 2 . 3]" 1 1924 1 17 TYR HA 1 18 THR H 3.090 . 3.090 2.136 2.048 2.247 . 0 0 "[ . 1 . 2 . 3]" 1 1925 1 18 THR H 1 20 ALA HA 5.430 . 5.430 4.742 4.435 4.903 . 0 0 "[ . 1 . 2 . 3]" 1 1926 1 18 THR H 1 22 PHE QB 4.970 . 4.970 4.095 3.212 4.467 . 0 0 "[ . 1 . 2 . 3]" 1 1927 1 18 THR H 1 21 GLU HB2 3.490 . 3.490 1.948 1.673 2.266 . 0 0 "[ . 1 . 2 . 3]" 1 1928 1 18 THR H 1 21 GLU HG2 4.530 . 4.530 3.363 2.374 4.060 . 0 0 "[ . 1 . 2 . 3]" 1 1929 1 18 THR H 1 21 GLU HB3 3.840 . 3.840 3.270 2.906 3.581 . 0 0 "[ . 1 . 2 . 3]" 1 1930 1 18 THR H 1 20 ALA MB 4.690 . 4.690 3.290 3.000 4.750 0.060 16 0 "[ . 1 . 2 . 3]" 1 1931 1 18 THR H 1 18 THR MG 3.670 . 3.670 2.231 1.866 2.524 . 0 0 "[ . 1 . 2 . 3]" 1 1932 1 13 SER H 1 14 ILE H 5.160 . 5.160 4.371 4.299 4.440 . 0 0 "[ . 1 . 2 . 3]" 1 1933 1 13 SER H 1 16 ASP H 5.020 . 5.020 3.955 3.653 4.294 . 0 0 "[ . 1 . 2 . 3]" 1 1934 1 12 ASN HD22 1 13 SER H 5.210 . 5.210 4.153 3.356 4.760 . 0 0 "[ . 1 . 2 . 3]" 1 1935 1 11 LYS HA 1 13 SER H 4.530 . 4.530 4.354 3.854 4.589 0.059 10 0 "[ . 1 . 2 . 3]" 1 1936 1 13 SER H 1 13 SER HB2 4.100 . 4.100 3.792 3.688 3.892 . 0 0 "[ . 1 . 2 . 3]" 1 1937 1 13 SER H 1 13 SER HB3 3.870 . 3.870 3.314 3.127 3.471 . 0 0 "[ . 1 . 2 . 3]" 1 1938 1 12 ASN QB 1 13 SER H 3.470 . 3.470 3.103 2.747 3.534 0.064 29 0 "[ . 1 . 2 . 3]" 1 1939 1 11 LYS HB2 1 13 SER H 4.300 . 4.300 2.974 2.496 3.821 . 0 0 "[ . 1 . 2 . 3]" 1 1940 1 11 LYS HB3 1 13 SER H 4.620 . 4.620 2.867 2.463 3.063 . 0 0 "[ . 1 . 2 . 3]" 1 1941 1 50 LYS H 1 51 ILE H . . 3.300 2.665 2.582 2.795 . 0 0 "[ . 1 . 2 . 3]" 1 1942 1 50 LYS HB3 1 51 ILE H 4.180 . 4.180 3.881 2.846 4.017 . 0 0 "[ . 1 . 2 . 3]" 1 1943 1 50 LYS QD 1 51 ILE H 4.280 . 4.280 3.490 3.429 3.581 . 0 0 "[ . 1 . 2 . 3]" 1 1944 1 51 ILE H 1 51 ILE HG12 4.150 . 4.150 1.927 1.710 2.107 . 0 0 "[ . 1 . 2 . 3]" 1 1945 1 51 ILE H 1 51 ILE MD 4.350 . 4.350 3.589 3.321 3.729 . 0 0 "[ . 1 . 2 . 3]" 1 1946 1 97 GLY H 1 98 PHE H 4.830 . 4.830 3.669 3.179 4.159 . 0 0 "[ . 1 . 2 . 3]" 1 1947 1 96 PRO HA 1 97 GLY H 3.000 . 3.000 2.138 2.071 2.202 . 0 0 "[ . 1 . 2 . 3]" 1 1948 1 96 PRO HB2 1 97 GLY H 4.050 . 4.050 3.659 3.262 4.067 0.017 3 0 "[ . 1 . 2 . 3]" 1 1949 1 90 ARG HB2 1 97 GLY H 4.210 . 4.210 3.741 3.276 3.992 . 0 0 "[ . 1 . 2 . 3]" 1 1950 1 14 ILE MG 1 97 GLY H 5.700 . 5.700 4.567 3.957 4.833 . 0 0 "[ . 1 . 2 . 3]" 1 1951 1 37 THR H 1 38 ASP H 4.780 . 4.780 3.710 2.084 4.471 . 0 0 "[ . 1 . 2 . 3]" 1 1952 1 36 ALA HA 1 37 THR H 3.640 . 3.640 2.271 2.144 2.482 . 0 0 "[ . 1 . 2 . 3]" 1 1953 1 36 ALA MB 1 37 THR H 4.160 . 4.160 3.621 3.495 3.705 . 0 0 "[ . 1 . 2 . 3]" 1 1954 1 37 THR H 1 37 THR MG 4.510 . 4.510 2.347 2.041 2.848 . 0 0 "[ . 1 . 2 . 3]" 1 1955 1 51 ILE H 1 52 THR H . . 3.300 2.408 2.289 2.602 . 0 0 "[ . 1 . 2 . 3]" 1 1956 1 52 THR H 1 53 GLU H . . 3.300 2.335 2.212 2.442 . 0 0 "[ . 1 . 2 . 3]" 1 1957 1 49 VAL HA 1 52 THR H . . 3.900 3.324 3.142 3.457 . 0 0 "[ . 1 . 2 . 3]" 1 1958 1 51 ILE HB 1 52 THR H 4.730 . 4.730 3.828 3.652 3.946 . 0 0 "[ . 1 . 2 . 3]" 1 1959 1 51 ILE HG12 1 52 THR H 4.940 . 4.940 2.843 2.667 2.965 . 0 0 "[ . 1 . 2 . 3]" 1 1960 1 52 THR H 1 52 THR MG 4.200 . 4.200 2.282 1.925 2.505 . 0 0 "[ . 1 . 2 . 3]" 1 1961 1 72 PRO QD 1 73 GLY H 5.700 . 5.700 2.833 2.053 4.883 . 0 0 "[ . 1 . 2 . 3]" 1 1962 1 73 GLY H 1 74 GLY H 5.700 . 5.700 3.707 2.350 4.528 . 0 0 "[ . 1 . 2 . 3]" 1 1963 1 75 ASP H 1 76 GLY H 4.780 . 4.780 3.301 1.671 4.587 . 0 0 "[ . 1 . 2 . 3]" 1 1964 1 75 ASP QB 1 76 GLY H 4.900 . 4.900 2.960 2.110 3.872 . 0 0 "[ . 1 . 2 . 3]" 1 1965 1 81 GLY H 1 82 ILE H . . 3.300 2.167 2.076 2.317 . 0 0 "[ . 1 . 2 . 3]" 1 1966 1 79 PRO HA 1 81 GLY H 4.750 . 4.750 3.752 3.433 3.933 . 0 0 "[ . 1 . 2 . 3]" 1 1967 1 81 GLY H 1 81 GLY HA3 3.030 . 3.030 2.504 2.454 2.571 . 0 0 "[ . 1 . 2 . 3]" 1 1968 1 80 GLU HG2 1 81 GLY H 5.140 . 5.140 5.125 4.164 5.195 0.055 24 0 "[ . 1 . 2 . 3]" 1 1969 1 81 GLY H 1 82 ILE HG12 4.920 . 4.920 3.543 3.117 4.288 . 0 0 "[ . 1 . 2 . 3]" 1 1970 1 23 VAL MG2 1 81 GLY H 5.280 . 5.280 3.242 2.872 4.023 . 0 0 "[ . 1 . 2 . 3]" 1 1971 1 68 ALA MB 1 77 GLY H 5.210 . 5.210 4.730 3.474 5.297 0.087 26 0 "[ . 1 . 2 . 3]" 1 1972 1 77 GLY HA3 1 78 GLY H 3.710 . 3.710 3.094 2.214 3.461 . 0 0 "[ . 1 . 2 . 3]" 1 1973 1 78 GLY H 1 79 PRO HD3 4.610 . 4.610 4.658 4.190 4.757 0.147 10 0 "[ . 1 . 2 . 3]" 1 1974 1 64 ALA MB 1 78 GLY H 4.880 . 4.880 2.550 1.711 3.238 . 0 0 "[ . 1 . 2 . 3]" 1 1975 1 56 ASP H 1 57 GLY H . . 3.300 2.198 1.814 2.441 . 0 0 "[ . 1 . 2 . 3]" 1 1976 1 57 GLY H 1 58 THR H . . 3.300 2.905 2.754 3.609 0.309 17 0 "[ . 1 . 2 . 3]" 1 1977 1 49 VAL MG1 1 57 GLY H 5.700 . 5.700 4.751 4.511 5.750 0.050 17 0 "[ . 1 . 2 . 3]" 1 1978 1 49 VAL MG2 1 57 GLY H 5.660 . 5.660 2.742 2.472 3.489 . 0 0 "[ . 1 . 2 . 3]" 1 1979 1 57 GLY H 1 60 LEU MD1 5.460 . 5.460 4.902 3.153 5.283 . 0 0 "[ . 1 . 2 . 3]" 1 1980 1 94 GLY H 1 95 LYS H 3.520 . 3.520 2.190 1.916 2.701 . 0 0 "[ . 1 . 2 . 3]" 1 1981 1 93 ASN H 1 94 GLY H 3.680 . 3.680 2.480 2.312 2.670 . 0 0 "[ . 1 . 2 . 3]" 1 1982 1 91 ALA HA 1 94 GLY H 4.330 . 4.330 3.426 3.127 3.831 . 0 0 "[ . 1 . 2 . 3]" 1 1983 1 93 ASN HB2 1 94 GLY H 5.020 . 5.020 3.771 3.180 4.417 . 0 0 "[ . 1 . 2 . 3]" 1 1984 1 93 ASN HB3 1 94 GLY H 4.300 . 4.300 2.705 2.360 3.639 . 0 0 "[ . 1 . 2 . 3]" 1 1985 1 89 TRP HA 1 89 TRP HE1 5.580 . 5.580 4.993 4.888 5.144 . 0 0 "[ . 1 . 2 . 3]" 1 1986 1 55 PRO HD2 1 89 TRP HE1 5.440 . 5.440 3.609 3.107 4.049 . 0 0 "[ . 1 . 2 . 3]" 1 1987 1 55 PRO HG2 1 89 TRP HE1 4.990 . 4.990 3.546 3.030 4.014 . 0 0 "[ . 1 . 2 . 3]" 1 1988 1 55 PRO HG3 1 89 TRP HE1 5.280 . 5.280 4.495 3.892 5.175 . 0 0 "[ . 1 . 2 . 3]" 1 1989 1 55 PRO HD3 1 89 TRP HE1 5.620 . 5.620 3.652 3.192 4.284 . 0 0 "[ . 1 . 2 . 3]" 1 1990 1 10 LEU MD2 1 47 HIS HE1 4.870 . 4.870 3.909 3.097 4.892 0.022 30 0 "[ . 1 . 2 . 3]" 1 1991 1 10 LEU HB2 1 47 HIS HE1 5.540 . 5.540 3.897 3.211 4.935 . 0 0 "[ . 1 . 2 . 3]" 1 1992 1 10 LEU MD1 1 47 HIS HE1 4.780 . 4.780 3.331 2.972 3.785 . 0 0 "[ . 1 . 2 . 3]" 1 1993 1 10 LEU HB3 1 47 HIS HE1 5.250 . 5.250 2.646 2.060 3.635 . 0 0 "[ . 1 . 2 . 3]" 1 1994 1 54 HIS HE1 1 60 LEU MD2 5.080 . 5.080 2.574 2.323 3.129 . 0 0 "[ . 1 . 2 . 3]" 1 1995 1 54 HIS HE1 1 55 PRO HD3 5.170 . 5.170 5.189 4.782 5.258 0.088 26 0 "[ . 1 . 2 . 3]" 1 1996 1 54 HIS HB2 1 54 HIS HE1 4.440 . 4.440 2.147 1.899 3.565 . 0 0 "[ . 1 . 2 . 3]" 1 1997 1 54 HIS HE1 1 56 ASP HB3 3.780 . 3.780 3.430 2.024 3.819 0.039 17 0 "[ . 1 . 2 . 3]" 1 1998 1 54 HIS HE1 1 60 LEU MD1 5.000 . 5.000 2.938 2.530 3.503 . 0 0 "[ . 1 . 2 . 3]" 1 1999 1 11 LYS HB3 1 17 TYR QD 4.640 . 4.640 3.843 3.467 3.929 . 0 0 "[ . 1 . 2 . 3]" 1 2000 1 17 TYR QD 1 22 PHE QD 4.940 . 4.940 3.007 2.838 3.257 . 0 0 "[ . 1 . 2 . 3]" 1 2001 1 14 ILE HA 1 17 TYR QD 3.430 . 3.430 2.063 1.781 2.259 . 0 0 "[ . 1 . 2 . 3]" 1 2002 1 17 TYR QD 1 22 PHE QB 5.450 . 5.450 2.807 2.441 3.638 . 0 0 "[ . 1 . 2 . 3]" 1 2003 1 17 TYR QD 1 21 GLU HB2 4.280 . 4.280 2.764 2.371 3.300 . 0 0 "[ . 1 . 2 . 3]" 1 2004 1 17 TYR QD 1 21 GLU HB3 3.850 . 3.850 2.269 1.915 2.665 . 0 0 "[ . 1 . 2 . 3]" 1 2005 1 58 THR HB 1 62 TYR QD 3.860 . 3.860 3.162 2.288 3.726 . 0 0 "[ . 1 . 2 . 3]" 1 2006 1 59 ALA HA 1 62 TYR QD 3.180 . 3.180 2.464 1.804 2.887 . 0 0 "[ . 1 . 2 . 3]" 1 2007 1 58 THR MG 1 62 TYR QD 4.120 . 4.120 2.673 2.200 3.356 . 0 0 "[ . 1 . 2 . 3]" 1 2008 1 58 THR HA 1 62 TYR QD 4.750 . 4.750 3.940 3.390 4.508 . 0 0 "[ . 1 . 2 . 3]" 1 2009 1 19 GLU HA 1 98 PHE QD 4.700 . 4.700 3.477 2.464 3.942 . 0 0 "[ . 1 . 2 . 3]" 1 2010 1 87 LYS QB 1 98 PHE QD 4.670 . 4.670 2.762 2.231 3.408 . 0 0 "[ . 1 . 2 . 3]" 1 2011 1 14 ILE HB 1 98 PHE QD 5.040 . 5.040 4.842 3.866 5.161 0.121 2 0 "[ . 1 . 2 . 3]" 1 2012 1 98 PHE HA 1 98 PHE QD 3.770 . 3.770 2.442 2.053 3.123 . 0 0 "[ . 1 . 2 . 3]" 1 2013 1 14 ILE HA 1 98 PHE QD 5.060 . 5.060 3.789 3.173 4.261 . 0 0 "[ . 1 . 2 . 3]" 1 2014 1 17 TYR QB 1 98 PHE QD 3.290 . 3.290 2.613 2.126 3.292 0.002 16 0 "[ . 1 . 2 . 3]" 1 2015 1 19 GLU QB 1 98 PHE QD 4.580 . 4.580 3.194 2.211 4.610 0.030 30 0 "[ . 1 . 2 . 3]" 1 2016 1 14 ILE HG12 1 98 PHE QD 5.560 . 5.560 3.549 2.222 4.768 . 0 0 "[ . 1 . 2 . 3]" 1 2017 1 14 ILE HG13 1 98 PHE QD 4.910 . 4.910 3.034 2.679 3.780 . 0 0 "[ . 1 . 2 . 3]" 1 2018 1 17 TYR QB 1 22 PHE QD 4.680 . 4.680 2.909 2.529 3.781 . 0 0 "[ . 1 . 2 . 3]" 1 2019 1 19 GLU HA 1 22 PHE QD 5.390 . 5.390 4.288 3.899 4.728 . 0 0 "[ . 1 . 2 . 3]" 1 2020 1 22 PHE HA 1 22 PHE QD 3.730 . 3.730 2.513 1.984 2.893 . 0 0 "[ . 1 . 2 . 3]" 1 2021 1 48 PHE QE 1 49 VAL HA 5.460 . 5.460 4.367 4.000 4.570 . 0 0 "[ . 1 . 2 . 3]" 1 2022 1 48 PHE QE 1 57 GLY HA3 3.850 . 3.850 2.965 2.732 3.082 . 0 0 "[ . 1 . 2 . 3]" 1 2023 1 48 PHE QE 1 60 LEU HB2 4.120 . 4.120 2.712 2.382 3.078 . 0 0 "[ . 1 . 2 . 3]" 1 2024 1 48 PHE QE 1 58 THR MG 4.790 . 4.790 4.657 3.787 4.846 0.056 15 0 "[ . 1 . 2 . 3]" 1 2025 1 26 LEU MD1 1 48 PHE QE 4.620 . 4.620 2.584 2.004 2.872 . 0 0 "[ . 1 . 2 . 3]" 1 2026 1 48 PHE QE 1 60 LEU MD1 4.450 . 4.450 3.306 2.637 3.651 . 0 0 "[ . 1 . 2 . 3]" 1 2027 1 48 PHE QE 1 57 GLY HA2 5.480 . 5.480 2.316 1.987 2.671 . 0 0 "[ . 1 . 2 . 3]" 1 2028 1 44 LEU HA 1 48 PHE QD 5.380 . 5.380 3.634 3.356 3.994 . 0 0 "[ . 1 . 2 . 3]" 1 2029 1 48 PHE QD 1 49 VAL HA 4.660 . 4.660 3.626 3.166 3.838 . 0 0 "[ . 1 . 2 . 3]" 1 2030 1 48 PHE QD 1 51 ILE MD 4.230 . 4.230 3.534 3.097 4.243 0.013 20 0 "[ . 1 . 2 . 3]" 1 2031 1 48 PHE QD 1 51 ILE HG12 4.950 . 4.950 3.614 2.763 4.013 . 0 0 "[ . 1 . 2 . 3]" 1 2032 1 22 PHE QE 1 98 PHE QE 3.960 . 3.960 3.288 2.950 3.798 . 0 0 "[ . 1 . 2 . 3]" 1 2033 1 14 ILE HA 1 98 PHE QE 3.850 . 3.850 3.349 2.322 3.904 0.054 5 0 "[ . 1 . 2 . 3]" 1 2034 1 87 LYS QB 1 98 PHE QE 4.000 . 4.000 1.941 1.812 2.228 . 0 0 "[ . 1 . 2 . 3]" 1 2035 1 19 GLU QB 1 98 PHE QE 3.670 . 3.670 3.167 2.189 3.732 0.062 21 0 "[ . 1 . 2 . 3]" 1 2036 1 14 ILE MD 1 98 PHE QE 3.900 . 3.900 2.290 1.873 3.046 . 0 0 "[ . 1 . 2 . 3]" 1 2037 1 22 PHE QE 1 83 VAL HA 4.350 . 4.350 2.593 2.098 4.224 . 0 0 "[ . 1 . 2 . 3]" 1 2038 1 22 PHE QE 1 26 LEU MD1 4.340 . 4.340 2.240 1.833 2.851 . 0 0 "[ . 1 . 2 . 3]" 1 2039 1 22 PHE QE 1 26 LEU MD2 3.510 . 3.510 1.841 1.742 2.178 . 0 0 "[ . 1 . 2 . 3]" 1 2040 1 22 PHE QE 1 26 LEU HA 5.130 . 5.130 5.102 4.910 5.222 0.092 13 0 "[ . 1 . 2 . 3]" 1 2041 1 19 GLU HA 1 98 PHE QE 4.890 . 4.890 4.095 2.969 4.653 . 0 0 "[ . 1 . 2 . 3]" 1 2042 1 48 PHE HZ 1 58 THR MG 4.070 . 4.070 3.400 2.930 3.780 . 0 0 "[ . 1 . 2 . 3]" 1 2043 1 48 PHE HZ 1 60 LEU MD1 4.630 . 4.630 2.626 2.188 2.971 . 0 0 "[ . 1 . 2 . 3]" 1 2044 1 48 PHE HZ 1 60 LEU HB2 3.930 . 3.930 2.870 2.526 3.095 . 0 0 "[ . 1 . 2 . 3]" 1 2045 1 86 ILE HG13 1 98 PHE HZ 5.700 . 5.700 3.841 3.324 4.717 . 0 0 "[ . 1 . 2 . 3]" 1 2046 1 22 PHE QE 1 98 PHE HZ 4.510 . 4.510 3.069 2.766 3.547 . 0 0 "[ . 1 . 2 . 3]" 1 2047 1 83 VAL HA 1 98 PHE HZ 4.400 . 4.400 2.847 2.494 3.302 . 0 0 "[ . 1 . 2 . 3]" 1 2048 1 22 PHE HB3 1 98 PHE HZ 5.320 . 5.320 4.424 3.883 5.021 . 0 0 "[ . 1 . 2 . 3]" 1 2049 1 19 GLU QB 1 98 PHE HZ 5.360 . 5.360 4.655 3.873 5.194 . 0 0 "[ . 1 . 2 . 3]" 1 2050 1 89 TRP HA 1 89 TRP HD1 3.890 . 3.890 3.082 2.953 3.340 . 0 0 "[ . 1 . 2 . 3]" 1 2051 1 89 TRP HH2 1 95 LYS HE3 3.870 . 3.870 3.075 2.206 3.913 0.043 23 0 "[ . 1 . 2 . 3]" 1 2052 1 55 PRO HD2 1 89 TRP HH2 5.270 . 5.270 5.021 4.649 5.293 0.023 21 0 "[ . 1 . 2 . 3]" 1 2053 1 53 GLU QB 1 89 TRP HH2 4.770 . 4.770 3.743 3.215 4.627 . 0 0 "[ . 1 . 2 . 3]" 1 2054 1 89 TRP HH2 1 95 LYS HD3 5.120 . 5.120 4.410 3.209 5.126 0.006 15 0 "[ . 1 . 2 . 3]" 1 2055 1 54 HIS HA 1 89 TRP HH2 3.530 . 3.530 3.162 2.621 3.547 0.017 12 0 "[ . 1 . 2 . 3]" 1 2056 1 55 PRO HD3 1 89 TRP HH2 4.840 . 4.840 3.288 2.939 3.555 . 0 0 "[ . 1 . 2 . 3]" 1 2057 1 43 VAL MG2 1 47 HIS HD2 5.230 . 5.230 4.750 4.400 5.205 . 0 0 "[ . 1 . 2 . 3]" 1 2058 1 10 LEU MD1 1 47 HIS HD2 4.710 . 4.710 2.309 2.063 2.911 . 0 0 "[ . 1 . 2 . 3]" 1 2059 1 44 LEU HA 1 47 HIS HD2 5.560 . 5.560 4.741 4.169 5.330 . 0 0 "[ . 1 . 2 . 3]" 1 2060 1 54 HIS HD2 1 89 TRP HZ3 5.480 . 5.480 4.706 4.147 5.492 0.012 16 0 "[ . 1 . 2 . 3]" 1 2061 1 89 TRP HZ3 1 90 ARG HA 3.730 . 3.730 3.135 2.620 3.760 0.030 8 0 "[ . 1 . 2 . 3]" 1 2062 1 89 TRP HZ3 1 90 ARG HB2 5.130 . 5.130 4.147 3.743 4.616 . 0 0 "[ . 1 . 2 . 3]" 1 2063 1 89 TRP HZ3 1 90 ARG HB3 5.340 . 5.340 2.988 1.936 4.696 . 0 0 "[ . 1 . 2 . 3]" 1 2064 1 89 TRP HZ3 1 95 LYS HB3 5.550 . 5.550 4.434 3.825 4.822 . 0 0 "[ . 1 . 2 . 3]" 1 2065 1 55 PRO HD3 1 89 TRP HZ3 5.410 . 5.410 4.194 3.746 4.636 . 0 0 "[ . 1 . 2 . 3]" 1 2066 1 89 TRP HZ3 1 95 LYS HE3 4.460 . 4.460 2.824 2.065 4.364 . 0 0 "[ . 1 . 2 . 3]" 1 2067 1 53 GLU QB 1 89 TRP HZ3 4.300 . 4.300 3.348 2.755 4.146 . 0 0 "[ . 1 . 2 . 3]" 1 2068 1 17 TYR QE 1 21 GLU HB2 4.950 . 4.950 4.558 4.166 4.977 0.027 10 0 "[ . 1 . 2 . 3]" 1 2069 1 17 TYR QE 1 25 LEU HB2 3.990 . 3.990 2.796 2.280 3.157 . 0 0 "[ . 1 . 2 . 3]" 1 2070 1 17 TYR QE 1 25 LEU HB3 3.300 . 3.300 3.355 3.234 3.393 0.093 6 0 "[ . 1 . 2 . 3]" 1 2071 1 10 LEU MD1 1 17 TYR QE 3.150 . 3.150 2.093 1.943 2.273 . 0 0 "[ . 1 . 2 . 3]" 1 2072 1 54 HIS HD2 1 89 TRP HE3 4.760 . 4.760 3.354 2.953 3.759 . 0 0 "[ . 1 . 2 . 3]" 1 2073 1 89 TRP HE3 1 90 ARG HA 4.020 . 4.020 2.478 2.211 2.930 . 0 0 "[ . 1 . 2 . 3]" 1 2074 1 88 GLU HB2 1 89 TRP HE3 5.300 . 5.300 4.859 3.917 5.319 0.019 4 0 "[ . 1 . 2 . 3]" 1 2075 1 89 TRP HE3 1 90 ARG HB2 5.030 . 5.030 3.563 2.548 4.513 . 0 0 "[ . 1 . 2 . 3]" 1 2076 1 54 HIS HA 1 89 TRP HE3 4.910 . 4.910 3.267 1.883 4.073 . 0 0 "[ . 1 . 2 . 3]" 1 2077 1 58 THR HB 1 62 TYR QE 3.410 . 3.410 3.231 2.553 3.459 0.049 10 0 "[ . 1 . 2 . 3]" 1 2078 1 58 THR MG 1 62 TYR QE 4.270 . 4.270 2.369 2.014 2.983 . 0 0 "[ . 1 . 2 . 3]" 1 2079 1 54 HIS HD2 1 89 TRP HB3 4.200 . 4.200 2.831 2.370 3.162 . 0 0 "[ . 1 . 2 . 3]" 1 2080 1 54 HIS HD2 1 89 TRP HB2 4.220 . 4.220 3.083 2.516 3.608 . 0 0 "[ . 1 . 2 . 3]" 1 2081 1 54 HIS HA 1 54 HIS HD2 4.730 . 4.730 3.123 2.900 3.757 . 0 0 "[ . 1 . 2 . 3]" 1 2082 1 54 HIS HD2 1 55 PRO HD3 4.650 . 4.650 3.753 3.214 4.722 0.072 18 0 "[ . 1 . 2 . 3]" 1 2083 1 54 HIS HD2 1 60 LEU MD1 4.860 . 4.860 3.680 2.891 4.178 . 0 0 "[ . 1 . 2 . 3]" 1 2084 1 55 PRO HB2 1 89 TRP HZ2 5.090 . 5.090 5.097 5.056 5.130 0.040 1 0 "[ . 1 . 2 . 3]" 1 2085 1 55 PRO HD2 1 89 TRP HZ2 3.820 . 3.820 3.642 3.358 3.840 0.020 26 0 "[ . 1 . 2 . 3]" 1 2086 1 55 PRO HG2 1 89 TRP HZ2 4.540 . 4.540 3.150 2.947 3.310 . 0 0 "[ . 1 . 2 . 3]" 1 2087 1 55 PRO HD3 1 89 TRP HZ2 4.130 . 4.130 2.467 2.142 2.847 . 0 0 "[ . 1 . 2 . 3]" 1 2088 1 55 PRO HB2 1 89 TRP HZ2 5.040 . 5.040 5.122 5.090 5.152 0.112 9 0 "[ . 1 . 2 . 3]" 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 265 _Distance_constraint_stats_list.Viol_count 273 _Distance_constraint_stats_list.Viol_total 579.873 _Distance_constraint_stats_list.Viol_max 0.242 _Distance_constraint_stats_list.Viol_rms 0.0177 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0024 _Distance_constraint_stats_list.Viol_average_violations_only 0.0708 _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 19 GLU 0.140 0.079 28 0 "[ . 1 . 2 . 3]" 1 20 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 21 GLU 0.055 0.038 13 0 "[ . 1 . 2 . 3]" 1 22 PHE 0.140 0.079 28 0 "[ . 1 . 2 . 3]" 1 23 VAL 0.004 0.004 6 0 "[ . 1 . 2 . 3]" 1 24 GLN 0.006 0.006 6 0 "[ . 1 . 2 . 3]" 1 25 LEU 0.051 0.038 13 0 "[ . 1 . 2 . 3]" 1 26 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 27 LYS 0.042 0.025 16 0 "[ . 1 . 2 . 3]" 1 28 GLU 0.006 0.006 6 0 "[ . 1 . 2 . 3]" 1 29 ILE 0.018 0.018 13 0 "[ . 1 . 2 . 3]" 1 30 GLU 0.196 0.046 14 0 "[ . 1 . 2 . 3]" 1 31 LYS 0.042 0.025 16 0 "[ . 1 . 2 . 3]" 1 32 GLU 0.163 0.046 14 0 "[ . 1 . 2 . 3]" 1 33 ASN 0.051 0.025 28 0 "[ . 1 . 2 . 3]" 1 39 ASP 1.415 0.129 27 0 "[ . 1 . 2 . 3]" 1 40 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 41 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 42 ASP 1.217 0.129 27 0 "[ . 1 . 2 . 3]" 1 43 VAL 1.656 0.117 2 0 "[ . 1 . 2 . 3]" 1 44 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 45 LEU 0.152 0.041 6 0 "[ . 1 . 2 . 3]" 1 46 GLU 1.457 0.117 2 0 "[ . 1 . 2 . 3]" 1 47 HIS 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 48 PHE 0.512 0.045 20 0 "[ . 1 . 2 . 3]" 1 49 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 50 LYS 3.116 0.156 1 0 "[ . 1 . 2 . 3]" 1 51 ILE 0.360 0.045 20 0 "[ . 1 . 2 . 3]" 1 52 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 53 GLU 3.116 0.156 1 0 "[ . 1 . 2 . 3]" 1 56 ASP 6.365 0.234 1 0 "[ . 1 . 2 . 3]" 1 57 GLY 5.116 0.242 22 0 "[ . 1 . 2 . 3]" 1 58 THR 5.356 0.234 1 0 "[ . 1 . 2 . 3]" 1 59 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 60 LEU 1.189 0.076 19 0 "[ . 1 . 2 . 3]" 1 61 ILE 4.936 0.242 22 0 "[ . 1 . 2 . 3]" 1 62 TYR 0.281 0.060 5 0 "[ . 1 . 2 . 3]" 1 63 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 64 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 65 ALA 0.092 0.041 27 0 "[ . 1 . 2 . 3]" 1 66 ALA 0.241 0.060 5 0 "[ . 1 . 2 . 3]" 1 67 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 68 ALA 0.051 0.026 5 0 "[ . 1 . 2 . 3]" 1 69 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 79 PRO 0.230 0.071 2 0 "[ . 1 . 2 . 3]" 1 80 GLU 0.089 0.035 14 0 "[ . 1 . 2 . 3]" 1 81 GLY 0.014 0.008 27 0 "[ . 1 . 2 . 3]" 1 82 ILE 0.011 0.011 26 0 "[ . 1 . 2 . 3]" 1 83 VAL 0.219 0.071 2 0 "[ . 1 . 2 . 3]" 1 84 LYS 0.089 0.035 14 0 "[ . 1 . 2 . 3]" 1 85 GLU 0.175 0.044 7 0 "[ . 1 . 2 . 3]" 1 86 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 87 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 88 GLU 0.178 0.044 7 0 "[ . 1 . 2 . 3]" 1 89 TRP 0.046 0.017 3 0 "[ . 1 . 2 . 3]" 1 90 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 91 ALA 0.018 0.018 21 0 "[ . 1 . 2 . 3]" 1 92 ALA 0.029 0.017 3 0 "[ . 1 . 2 . 3]" 1 93 ASN 0.016 0.013 27 0 "[ . 1 . 2 . 3]" 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 19 GLU HA 1 20 ALA H 4.000 . 4.000 3.503 3.416 3.565 . 0 0 "[ . 1 . 2 . 3]" 2 2 1 19 GLU HB2 1 20 ALA H 4.900 . 4.900 3.527 2.159 3.892 . 0 0 "[ . 1 . 2 . 3]" 2 3 1 19 GLU HA 1 21 GLU H 4.900 . 4.900 4.510 4.276 4.839 . 0 0 "[ . 1 . 2 . 3]" 2 4 1 19 GLU H 1 21 GLU H 4.700 . 4.700 4.258 4.115 4.365 . 0 0 "[ . 1 . 2 . 3]" 2 5 1 19 GLU HA 1 22 PHE H 3.900 . 3.900 3.522 3.193 3.979 0.079 28 0 "[ . 1 . 2 . 3]" 2 6 1 19 GLU HA 1 23 VAL H 4.700 . 4.700 4.013 3.760 4.297 . 0 0 "[ . 1 . 2 . 3]" 2 7 1 20 ALA HA 1 21 GLU H 4.000 . 4.000 3.592 3.565 3.624 . 0 0 "[ . 1 . 2 . 3]" 2 8 1 20 ALA H 1 21 GLU H 3.300 . 3.300 2.717 2.646 2.795 . 0 0 "[ . 1 . 2 . 3]" 2 9 1 20 ALA HA 1 22 PHE H 4.900 . 4.900 4.107 4.014 4.262 . 0 0 "[ . 1 . 2 . 3]" 2 10 1 20 ALA H 1 22 PHE H 4.700 . 4.700 4.008 3.890 4.183 . 0 0 "[ . 1 . 2 . 3]" 2 11 1 20 ALA HA 1 23 VAL H 3.900 . 3.900 3.032 2.860 3.463 . 0 0 "[ . 1 . 2 . 3]" 2 12 1 20 ALA HA 1 24 GLN H 4.700 . 4.700 3.875 3.663 4.096 . 0 0 "[ . 1 . 2 . 3]" 2 13 1 21 GLU HA 1 22 PHE H 4.000 . 4.000 3.457 3.420 3.496 . 0 0 "[ . 1 . 2 . 3]" 2 14 1 21 GLU HA 1 23 VAL H 4.900 . 4.900 4.640 4.422 4.904 0.004 6 0 "[ . 1 . 2 . 3]" 2 15 1 21 GLU H 1 23 VAL H 4.700 . 4.700 4.168 4.067 4.436 . 0 0 "[ . 1 . 2 . 3]" 2 16 1 21 GLU HA 1 24 GLN H 3.900 . 3.900 3.618 3.180 3.840 . 0 0 "[ . 1 . 2 . 3]" 2 17 1 21 GLU HA 1 24 GLN HB2 5.600 . 5.600 3.443 2.579 5.008 . 0 0 "[ . 1 . 2 . 3]" 2 18 1 21 GLU HA 1 25 LEU H 4.700 . 4.700 4.372 4.128 4.738 0.038 13 0 "[ . 1 . 2 . 3]" 2 19 1 22 PHE HA 1 23 VAL H 4.000 . 4.000 3.590 3.559 3.628 . 0 0 "[ . 1 . 2 . 3]" 2 20 1 22 PHE H 1 23 VAL H 3.300 . 3.300 2.620 2.487 2.797 . 0 0 "[ . 1 . 2 . 3]" 2 21 1 22 PHE HB2 1 23 VAL H 4.900 . 4.900 3.731 3.419 3.852 . 0 0 "[ . 1 . 2 . 3]" 2 22 1 22 PHE HA 1 24 GLN H 4.900 . 4.900 4.259 4.091 4.440 . 0 0 "[ . 1 . 2 . 3]" 2 23 1 22 PHE H 1 24 GLN H 4.700 . 4.700 3.977 3.838 4.113 . 0 0 "[ . 1 . 2 . 3]" 2 24 1 22 PHE HA 1 25 LEU H 3.900 . 3.900 3.431 3.244 3.696 . 0 0 "[ . 1 . 2 . 3]" 2 25 1 22 PHE HA 1 26 LEU H 4.700 . 4.700 4.074 3.824 4.261 . 0 0 "[ . 1 . 2 . 3]" 2 26 1 23 VAL HA 1 24 GLN H 4.000 . 4.000 3.514 3.463 3.570 . 0 0 "[ . 1 . 2 . 3]" 2 27 1 23 VAL HB 1 24 GLN H 4.900 . 4.900 4.086 3.922 4.221 . 0 0 "[ . 1 . 2 . 3]" 2 28 1 23 VAL H 1 25 LEU H 4.700 . 4.700 4.317 4.197 4.440 . 0 0 "[ . 1 . 2 . 3]" 2 29 1 24 GLN HA 1 25 LEU H 4.000 . 4.000 3.523 3.297 3.556 . 0 0 "[ . 1 . 2 . 3]" 2 30 1 24 GLN H 1 25 LEU H 3.300 . 3.300 2.654 2.429 2.753 . 0 0 "[ . 1 . 2 . 3]" 2 31 1 24 GLN HB2 1 25 LEU H 4.900 . 4.900 3.716 3.434 3.926 . 0 0 "[ . 1 . 2 . 3]" 2 32 1 24 GLN HA 1 26 LEU H 4.900 . 4.900 4.478 4.317 4.597 . 0 0 "[ . 1 . 2 . 3]" 2 33 1 24 GLN HA 1 27 LYS H 3.900 . 3.900 3.448 3.153 3.675 . 0 0 "[ . 1 . 2 . 3]" 2 34 1 24 GLN HA 1 28 GLU H 4.700 . 4.700 4.366 4.130 4.706 0.006 6 0 "[ . 1 . 2 . 3]" 2 35 1 25 LEU HA 1 26 LEU H 4.000 . 4.000 3.430 3.390 3.460 . 0 0 "[ . 1 . 2 . 3]" 2 36 1 25 LEU HA 1 27 LYS H 4.900 . 4.900 4.365 4.149 4.509 . 0 0 "[ . 1 . 2 . 3]" 2 37 1 25 LEU HA 1 28 GLU H 3.900 . 3.900 3.439 3.301 3.601 . 0 0 "[ . 1 . 2 . 3]" 2 38 1 25 LEU HA 1 28 GLU HB2 5.600 . 5.600 2.978 2.450 5.102 . 0 0 "[ . 1 . 2 . 3]" 2 39 1 25 LEU HA 1 29 ILE H 4.700 . 4.700 4.258 4.011 4.547 . 0 0 "[ . 1 . 2 . 3]" 2 40 1 26 LEU HA 1 27 LYS H 4.000 . 4.000 3.522 3.496 3.552 . 0 0 "[ . 1 . 2 . 3]" 2 41 1 26 LEU HB2 1 27 LYS H 4.900 . 4.900 2.686 2.342 3.504 . 0 0 "[ . 1 . 2 . 3]" 2 42 1 26 LEU H 1 28 GLU H 4.700 . 4.700 4.085 3.960 4.247 . 0 0 "[ . 1 . 2 . 3]" 2 43 1 27 LYS HA 1 28 GLU H 4.000 . 4.000 3.501 3.479 3.565 . 0 0 "[ . 1 . 2 . 3]" 2 44 1 27 LYS HB2 1 28 GLU H 4.900 . 4.900 2.655 2.333 2.872 . 0 0 "[ . 1 . 2 . 3]" 2 45 1 27 LYS HA 1 29 ILE H 4.900 . 4.900 4.325 4.138 4.570 . 0 0 "[ . 1 . 2 . 3]" 2 46 1 27 LYS HA 1 30 GLU H 3.900 . 3.900 3.405 2.975 3.725 . 0 0 "[ . 1 . 2 . 3]" 2 47 1 27 LYS HA 1 30 GLU HB2 5.600 . 5.600 3.114 2.152 5.151 . 0 0 "[ . 1 . 2 . 3]" 2 48 1 27 LYS HA 1 31 LYS H 4.700 . 4.700 4.316 3.891 4.725 0.025 16 0 "[ . 1 . 2 . 3]" 2 49 1 28 GLU HA 1 29 ILE H 4.000 . 4.000 3.497 3.434 3.547 . 0 0 "[ . 1 . 2 . 3]" 2 50 1 28 GLU H 1 29 ILE H 3.300 . 3.300 2.575 2.441 2.763 . 0 0 "[ . 1 . 2 . 3]" 2 51 1 28 GLU HA 1 30 GLU H 4.900 . 4.900 4.316 4.018 4.459 . 0 0 "[ . 1 . 2 . 3]" 2 52 1 28 GLU H 1 30 GLU H 4.700 . 4.700 4.111 3.910 4.355 . 0 0 "[ . 1 . 2 . 3]" 2 53 1 28 GLU HA 1 31 LYS H 3.900 . 3.900 3.278 2.742 3.737 . 0 0 "[ . 1 . 2 . 3]" 2 54 1 28 GLU HA 1 31 LYS HB2 5.600 . 5.600 3.129 2.175 4.867 . 0 0 "[ . 1 . 2 . 3]" 2 55 1 28 GLU HA 1 32 GLU H 4.700 . 4.700 4.141 3.645 4.606 . 0 0 "[ . 1 . 2 . 3]" 2 56 1 29 ILE HA 1 30 GLU H 4.000 . 4.000 3.535 3.487 3.588 . 0 0 "[ . 1 . 2 . 3]" 2 57 1 29 ILE H 1 31 LYS H 4.700 . 4.700 4.068 3.804 4.422 . 0 0 "[ . 1 . 2 . 3]" 2 58 1 29 ILE HA 1 32 GLU HB2 5.600 . 5.600 3.817 2.610 5.618 0.018 13 0 "[ . 1 . 2 . 3]" 2 59 1 29 ILE HA 1 33 ASN H 4.700 . 4.700 3.979 3.542 4.406 . 0 0 "[ . 1 . 2 . 3]" 2 60 1 30 GLU HA 1 31 LYS H 4.000 . 4.000 3.476 3.372 3.551 . 0 0 "[ . 1 . 2 . 3]" 2 61 1 30 GLU H 1 31 LYS H 3.300 . 3.300 2.643 2.419 2.793 . 0 0 "[ . 1 . 2 . 3]" 2 62 1 30 GLU HB2 1 31 LYS H 4.900 . 4.900 2.912 2.136 4.049 . 0 0 "[ . 1 . 2 . 3]" 2 63 1 30 GLU HA 1 32 GLU H 4.900 . 4.900 4.739 4.304 4.946 0.046 14 0 "[ . 1 . 2 . 3]" 2 64 1 30 GLU H 1 32 GLU H 4.700 . 4.700 4.385 4.285 4.681 . 0 0 "[ . 1 . 2 . 3]" 2 65 1 30 GLU HA 1 33 ASN H 3.900 . 3.900 3.664 3.358 3.925 0.025 28 0 "[ . 1 . 2 . 3]" 2 66 1 30 GLU HA 1 33 ASN HB2 5.600 . 5.600 3.542 2.711 4.123 . 0 0 "[ . 1 . 2 . 3]" 2 67 1 31 LYS HA 1 32 GLU H 4.000 . 4.000 3.590 3.538 3.676 . 0 0 "[ . 1 . 2 . 3]" 2 68 1 31 LYS HB2 1 32 GLU H 4.900 . 4.900 3.771 3.273 4.085 . 0 0 "[ . 1 . 2 . 3]" 2 69 1 31 LYS HA 1 33 ASN H 4.900 . 4.900 4.328 3.940 4.847 . 0 0 "[ . 1 . 2 . 3]" 2 70 1 31 LYS H 1 33 ASN H 4.700 . 4.700 3.868 3.548 4.147 . 0 0 "[ . 1 . 2 . 3]" 2 71 1 32 GLU HA 1 33 ASN H 4.000 . 4.000 3.429 3.247 3.504 . 0 0 "[ . 1 . 2 . 3]" 2 72 1 32 GLU H 1 33 ASN H 3.300 . 3.300 2.486 2.151 2.692 . 0 0 "[ . 1 . 2 . 3]" 2 73 1 32 GLU HB2 1 33 ASN H 4.900 . 4.900 3.417 2.844 4.119 . 0 0 "[ . 1 . 2 . 3]" 2 74 1 39 ASP HA 1 40 VAL H 4.000 . 4.000 3.507 3.467 3.541 . 0 0 "[ . 1 . 2 . 3]" 2 75 1 39 ASP HB2 1 40 VAL H 4.900 . 4.900 3.242 1.882 3.913 . 0 0 "[ . 1 . 2 . 3]" 2 76 1 39 ASP HA 1 41 LEU H 4.900 . 4.900 4.453 4.319 4.624 . 0 0 "[ . 1 . 2 . 3]" 2 77 1 39 ASP H 1 41 LEU H 4.700 . 4.700 3.740 3.173 4.038 . 0 0 "[ . 1 . 2 . 3]" 2 78 1 39 ASP HA 1 42 ASP H 3.900 . 3.900 3.905 3.635 4.029 0.129 27 0 "[ . 1 . 2 . 3]" 2 79 1 39 ASP HA 1 42 ASP HB2 5.600 . 5.600 4.297 3.507 5.004 . 0 0 "[ . 1 . 2 . 3]" 2 80 1 39 ASP HA 1 43 VAL H 4.700 . 4.700 4.567 4.121 4.768 0.068 13 0 "[ . 1 . 2 . 3]" 2 81 1 40 VAL HA 1 42 ASP H 4.900 . 4.900 4.196 3.988 4.412 . 0 0 "[ . 1 . 2 . 3]" 2 82 1 40 VAL H 1 42 ASP H 4.700 . 4.700 4.060 3.858 4.222 . 0 0 "[ . 1 . 2 . 3]" 2 83 1 40 VAL HA 1 43 VAL H 3.900 . 3.900 3.035 2.821 3.399 . 0 0 "[ . 1 . 2 . 3]" 2 84 1 40 VAL HA 1 44 LEU H 4.700 . 4.700 3.901 3.577 4.125 . 0 0 "[ . 1 . 2 . 3]" 2 85 1 41 LEU HA 1 42 ASP H 4.000 . 4.000 3.553 3.488 3.635 . 0 0 "[ . 1 . 2 . 3]" 2 86 1 41 LEU H 1 42 ASP H 3.300 . 3.300 2.744 2.674 2.837 . 0 0 "[ . 1 . 2 . 3]" 2 87 1 41 LEU HA 1 43 VAL H 4.900 . 4.900 4.327 4.105 4.562 . 0 0 "[ . 1 . 2 . 3]" 2 88 1 41 LEU H 1 43 VAL H 4.700 . 4.700 3.933 3.720 4.085 . 0 0 "[ . 1 . 2 . 3]" 2 89 1 41 LEU HA 1 44 LEU H 3.900 . 3.900 3.612 3.365 3.870 . 0 0 "[ . 1 . 2 . 3]" 2 90 1 41 LEU HA 1 45 LEU H 4.700 . 4.700 3.915 3.718 4.081 . 0 0 "[ . 1 . 2 . 3]" 2 91 1 42 ASP HA 1 43 VAL H 4.000 . 4.000 3.438 3.381 3.498 . 0 0 "[ . 1 . 2 . 3]" 2 92 1 42 ASP HB2 1 43 VAL H 4.900 . 4.900 3.809 3.115 4.180 . 0 0 "[ . 1 . 2 . 3]" 2 93 1 42 ASP H 1 44 LEU H 4.700 . 4.700 4.170 4.038 4.285 . 0 0 "[ . 1 . 2 . 3]" 2 94 1 42 ASP HA 1 46 GLU H 4.700 . 4.700 3.725 3.524 3.968 . 0 0 "[ . 1 . 2 . 3]" 2 95 1 43 VAL HA 1 44 LEU H 4.000 . 4.000 3.471 3.430 3.531 . 0 0 "[ . 1 . 2 . 3]" 2 96 1 43 VAL HA 1 46 GLU H 3.900 . 3.900 3.947 3.856 4.017 0.117 2 0 "[ . 1 . 2 . 3]" 2 97 1 43 VAL HA 1 46 GLU HB2 5.600 . 5.600 3.962 3.143 5.398 . 0 0 "[ . 1 . 2 . 3]" 2 98 1 43 VAL HA 1 47 HIS H 4.700 . 4.700 3.942 3.777 4.082 . 0 0 "[ . 1 . 2 . 3]" 2 99 1 44 LEU HA 1 45 LEU H 4.000 . 4.000 3.466 3.440 3.491 . 0 0 "[ . 1 . 2 . 3]" 2 100 1 44 LEU HB2 1 45 LEU H 4.900 . 4.900 2.470 2.388 2.663 . 0 0 "[ . 1 . 2 . 3]" 2 101 1 44 LEU HA 1 46 GLU H 4.900 . 4.900 4.490 4.348 4.679 . 0 0 "[ . 1 . 2 . 3]" 2 102 1 44 LEU H 1 46 GLU H 4.700 . 4.700 4.158 4.085 4.269 . 0 0 "[ . 1 . 2 . 3]" 2 103 1 44 LEU HA 1 47 HIS H 3.900 . 3.900 3.432 3.271 3.722 . 0 0 "[ . 1 . 2 . 3]" 2 104 1 44 LEU HA 1 48 PHE H 4.700 . 4.700 3.592 3.465 3.800 . 0 0 "[ . 1 . 2 . 3]" 2 105 1 45 LEU HA 1 46 GLU H 4.000 . 4.000 3.539 3.504 3.584 . 0 0 "[ . 1 . 2 . 3]" 2 106 1 45 LEU HB2 1 46 GLU H 4.900 . 4.900 2.528 2.352 2.736 . 0 0 "[ . 1 . 2 . 3]" 2 107 1 45 LEU HA 1 47 HIS H 4.900 . 4.900 4.524 4.404 4.659 . 0 0 "[ . 1 . 2 . 3]" 2 108 1 45 LEU H 1 47 HIS H 4.700 . 4.700 4.028 3.899 4.158 . 0 0 "[ . 1 . 2 . 3]" 2 109 1 45 LEU HA 1 48 PHE H 3.900 . 3.900 3.846 3.704 3.941 0.041 6 0 "[ . 1 . 2 . 3]" 2 110 1 45 LEU HA 1 48 PHE HB2 5.600 . 5.600 4.103 3.758 4.307 . 0 0 "[ . 1 . 2 . 3]" 2 111 1 45 LEU HA 1 49 VAL H 4.700 . 4.700 4.197 4.027 4.358 . 0 0 "[ . 1 . 2 . 3]" 2 112 1 46 GLU HA 1 47 HIS H 4.000 . 4.000 3.489 3.443 3.534 . 0 0 "[ . 1 . 2 . 3]" 2 113 1 46 GLU H 1 47 HIS H 3.300 . 3.300 2.528 2.471 2.624 . 0 0 "[ . 1 . 2 . 3]" 2 114 1 46 GLU HB2 1 47 HIS H 4.900 . 4.900 2.948 2.380 3.865 . 0 0 "[ . 1 . 2 . 3]" 2 115 1 46 GLU HA 1 48 PHE H 4.900 . 4.900 4.436 4.207 4.552 . 0 0 "[ . 1 . 2 . 3]" 2 116 1 46 GLU H 1 48 PHE H 4.700 . 4.700 4.167 4.074 4.226 . 0 0 "[ . 1 . 2 . 3]" 2 117 1 46 GLU HA 1 49 VAL H 3.900 . 3.900 3.484 3.137 3.641 . 0 0 "[ . 1 . 2 . 3]" 2 118 1 46 GLU HA 1 50 LYS H 4.700 . 4.700 3.876 3.542 4.055 . 0 0 "[ . 1 . 2 . 3]" 2 119 1 47 HIS HA 1 48 PHE H 4.000 . 4.000 3.474 3.459 3.502 . 0 0 "[ . 1 . 2 . 3]" 2 120 1 47 HIS HB2 1 48 PHE H 4.900 . 4.900 3.675 3.617 3.732 . 0 0 "[ . 1 . 2 . 3]" 2 121 1 47 HIS HA 1 49 VAL H 4.900 . 4.900 4.673 4.526 4.829 . 0 0 "[ . 1 . 2 . 3]" 2 122 1 47 HIS H 1 49 VAL H 4.700 . 4.700 4.240 4.176 4.329 . 0 0 "[ . 1 . 2 . 3]" 2 123 1 47 HIS HA 1 51 ILE H 4.700 . 4.700 4.257 4.015 4.582 . 0 0 "[ . 1 . 2 . 3]" 2 124 1 48 PHE HA 1 49 VAL H 4.000 . 4.000 3.555 3.537 3.575 . 0 0 "[ . 1 . 2 . 3]" 2 125 1 48 PHE HB2 1 49 VAL H 4.900 . 4.900 3.867 3.803 3.991 . 0 0 "[ . 1 . 2 . 3]" 2 126 1 48 PHE HA 1 50 LYS H 4.900 . 4.900 4.466 4.366 4.538 . 0 0 "[ . 1 . 2 . 3]" 2 127 1 48 PHE H 1 50 LYS H 4.700 . 4.700 4.081 3.981 4.192 . 0 0 "[ . 1 . 2 . 3]" 2 128 1 48 PHE HA 1 51 ILE H 3.900 . 3.900 3.861 3.703 3.945 0.045 20 0 "[ . 1 . 2 . 3]" 2 129 1 48 PHE HA 1 51 ILE HB 5.600 . 5.600 5.289 5.029 5.607 0.007 20 0 "[ . 1 . 2 . 3]" 2 130 1 48 PHE HA 1 52 THR H 4.700 . 4.700 4.255 4.017 4.439 . 0 0 "[ . 1 . 2 . 3]" 2 131 1 49 VAL HA 1 50 LYS H 4.000 . 4.000 3.413 3.372 3.460 . 0 0 "[ . 1 . 2 . 3]" 2 132 1 49 VAL HA 1 51 ILE H 4.900 . 4.900 4.127 3.883 4.348 . 0 0 "[ . 1 . 2 . 3]" 2 133 1 49 VAL H 1 51 ILE H 4.700 . 4.700 4.304 4.179 4.417 . 0 0 "[ . 1 . 2 . 3]" 2 134 1 49 VAL HA 1 52 THR HB 5.600 . 5.600 4.481 4.269 4.769 . 0 0 "[ . 1 . 2 . 3]" 2 135 1 50 LYS HA 1 51 ILE H 4.000 . 4.000 3.483 3.453 3.530 . 0 0 "[ . 1 . 2 . 3]" 2 136 1 50 LYS HB2 1 51 ILE H 4.900 . 4.900 4.069 3.909 4.225 . 0 0 "[ . 1 . 2 . 3]" 2 137 1 50 LYS HA 1 52 THR H 4.900 . 4.900 4.480 4.254 4.729 . 0 0 "[ . 1 . 2 . 3]" 2 138 1 50 LYS H 1 52 THR H 4.700 . 4.700 4.108 3.950 4.351 . 0 0 "[ . 1 . 2 . 3]" 2 139 1 50 LYS HA 1 53 GLU H 3.900 . 3.900 3.659 3.457 3.814 . 0 0 "[ . 1 . 2 . 3]" 2 140 1 50 LYS HA 1 53 GLU HB2 5.600 . 5.600 5.704 5.633 5.756 0.156 1 0 "[ . 1 . 2 . 3]" 2 141 1 51 ILE HA 1 52 THR H 4.000 . 4.000 3.497 3.437 3.550 . 0 0 "[ . 1 . 2 . 3]" 2 142 1 51 ILE HA 1 53 GLU H 4.900 . 4.900 4.420 4.284 4.605 . 0 0 "[ . 1 . 2 . 3]" 2 143 1 52 THR HA 1 53 GLU H 4.000 . 4.000 3.489 3.457 3.531 . 0 0 "[ . 1 . 2 . 3]" 2 144 1 52 THR HB 1 53 GLU H 4.900 . 4.900 3.860 3.606 4.280 . 0 0 "[ . 1 . 2 . 3]" 2 145 1 56 ASP HA 1 57 GLY H 4.000 . 4.000 2.859 2.636 3.515 . 0 0 "[ . 1 . 2 . 3]" 2 146 1 56 ASP HB2 1 57 GLY H 4.900 . 4.900 4.016 2.252 4.373 . 0 0 "[ . 1 . 2 . 3]" 2 147 1 56 ASP HA 1 58 THR H 4.900 . 4.900 4.055 3.671 4.603 . 0 0 "[ . 1 . 2 . 3]" 2 148 1 56 ASP H 1 58 THR H 4.700 . 4.700 4.879 4.755 4.934 0.234 1 0 "[ . 1 . 2 . 3]" 2 149 1 56 ASP HA 1 60 LEU H 4.700 . 4.700 4.721 4.432 4.776 0.076 19 0 "[ . 1 . 2 . 3]" 2 150 1 57 GLY HA2 1 59 ALA H 4.900 . 4.900 4.435 4.200 4.616 . 0 0 "[ . 1 . 2 . 3]" 2 151 1 57 GLY H 1 59 ALA H 4.700 . 4.700 4.031 3.830 4.271 . 0 0 "[ . 1 . 2 . 3]" 2 152 1 57 GLY HA2 1 60 LEU H 3.900 . 3.900 3.839 3.670 3.944 0.044 16 0 "[ . 1 . 2 . 3]" 2 153 1 57 GLY HA2 1 60 LEU HB2 5.600 . 5.600 3.455 3.229 3.646 . 0 0 "[ . 1 . 2 . 3]" 2 154 1 57 GLY HA2 1 61 ILE H 4.700 . 4.700 4.865 4.773 4.942 0.242 22 0 "[ . 1 . 2 . 3]" 2 155 1 58 THR HA 1 59 ALA H 4.000 . 4.000 3.433 3.281 3.584 . 0 0 "[ . 1 . 2 . 3]" 2 156 1 58 THR HA 1 60 LEU H 4.900 . 4.900 3.979 3.551 4.198 . 0 0 "[ . 1 . 2 . 3]" 2 157 1 58 THR H 1 60 LEU H 4.700 . 4.700 4.008 3.727 4.177 . 0 0 "[ . 1 . 2 . 3]" 2 158 1 58 THR HA 1 62 TYR H 4.700 . 4.700 4.216 3.785 4.613 . 0 0 "[ . 1 . 2 . 3]" 2 159 1 59 ALA HA 1 60 LEU H 4.000 . 4.000 3.493 3.439 3.538 . 0 0 "[ . 1 . 2 . 3]" 2 160 1 59 ALA MB 1 60 LEU H 4.900 . 4.900 2.639 2.397 2.916 . 0 0 "[ . 1 . 2 . 3]" 2 161 1 59 ALA HA 1 61 ILE H 4.900 . 4.900 4.214 3.953 4.464 . 0 0 "[ . 1 . 2 . 3]" 2 162 1 60 LEU HA 1 61 ILE H 4.000 . 4.000 3.497 3.412 3.554 . 0 0 "[ . 1 . 2 . 3]" 2 163 1 60 LEU HA 1 62 TYR H 4.900 . 4.900 4.485 4.276 4.670 . 0 0 "[ . 1 . 2 . 3]" 2 164 1 60 LEU H 1 62 TYR H 4.700 . 4.700 4.186 3.973 4.391 . 0 0 "[ . 1 . 2 . 3]" 2 165 1 61 ILE HA 1 62 TYR H 4.000 . 4.000 3.463 3.424 3.503 . 0 0 "[ . 1 . 2 . 3]" 2 166 1 61 ILE HB 1 62 TYR H 4.900 . 4.900 2.570 2.404 2.746 . 0 0 "[ . 1 . 2 . 3]" 2 167 1 61 ILE HA 1 63 GLU H 4.900 . 4.900 4.589 4.419 4.754 . 0 0 "[ . 1 . 2 . 3]" 2 168 1 61 ILE HA 1 65 ALA H 4.700 . 4.700 4.113 3.762 4.475 . 0 0 "[ . 1 . 2 . 3]" 2 169 1 62 TYR HA 1 63 GLU H 4.000 . 4.000 3.572 3.537 3.595 . 0 0 "[ . 1 . 2 . 3]" 2 170 1 62 TYR HA 1 64 ALA H 4.900 . 4.900 4.441 4.221 4.762 . 0 0 "[ . 1 . 2 . 3]" 2 171 1 62 TYR H 1 64 ALA H 4.700 . 4.700 4.058 3.941 4.270 . 0 0 "[ . 1 . 2 . 3]" 2 172 1 62 TYR HA 1 65 ALA H 3.900 . 3.900 3.659 3.441 3.941 0.041 27 0 "[ . 1 . 2 . 3]" 2 173 1 62 TYR HA 1 66 ALA H 4.700 . 4.700 4.531 4.173 4.760 0.060 5 0 "[ . 1 . 2 . 3]" 2 174 1 63 GLU HA 1 64 ALA H 4.000 . 4.000 3.513 3.480 3.575 . 0 0 "[ . 1 . 2 . 3]" 2 175 1 63 GLU HA 1 65 ALA H 4.900 . 4.900 4.258 4.062 4.533 . 0 0 "[ . 1 . 2 . 3]" 2 176 1 63 GLU HA 1 67 ARG H 4.700 . 4.700 3.786 3.479 4.009 . 0 0 "[ . 1 . 2 . 3]" 2 177 1 64 ALA HA 1 65 ALA H 4.000 . 4.000 3.519 3.498 3.540 . 0 0 "[ . 1 . 2 . 3]" 2 178 1 64 ALA MB 1 65 ALA H 4.900 . 4.900 2.487 2.300 2.621 . 0 0 "[ . 1 . 2 . 3]" 2 179 1 64 ALA HA 1 66 ALA H 4.900 . 4.900 4.455 4.239 4.584 . 0 0 "[ . 1 . 2 . 3]" 2 180 1 64 ALA HA 1 67 ARG H 3.900 . 3.900 3.442 3.170 3.724 . 0 0 "[ . 1 . 2 . 3]" 2 181 1 64 ALA HA 1 67 ARG HB2 5.600 . 5.600 2.361 1.978 2.903 . 0 0 "[ . 1 . 2 . 3]" 2 182 1 64 ALA HA 1 68 ALA H 4.700 . 4.700 3.816 3.429 4.162 . 0 0 "[ . 1 . 2 . 3]" 2 183 1 65 ALA HA 1 66 ALA H 4.000 . 4.000 3.531 3.501 3.555 . 0 0 "[ . 1 . 2 . 3]" 2 184 1 65 ALA MB 1 66 ALA H 4.900 . 4.900 2.449 2.349 2.608 . 0 0 "[ . 1 . 2 . 3]" 2 185 1 65 ALA HA 1 67 ARG H 4.900 . 4.900 4.603 4.383 4.743 . 0 0 "[ . 1 . 2 . 3]" 2 186 1 65 ALA H 1 67 ARG H 4.700 . 4.700 4.115 3.948 4.237 . 0 0 "[ . 1 . 2 . 3]" 2 187 1 65 ALA HA 1 68 ALA H 3.900 . 3.900 3.676 3.388 3.926 0.026 5 0 "[ . 1 . 2 . 3]" 2 188 1 65 ALA HA 1 68 ALA MB 5.600 . 5.600 2.964 2.466 3.382 . 0 0 "[ . 1 . 2 . 3]" 2 189 1 65 ALA HA 1 69 ALA H 4.700 . 4.700 4.273 3.949 4.697 . 0 0 "[ . 1 . 2 . 3]" 2 190 1 66 ALA HA 1 67 ARG H 4.000 . 4.000 3.507 3.458 3.550 . 0 0 "[ . 1 . 2 . 3]" 2 191 1 66 ALA H 1 67 ARG H 3.300 . 3.300 2.561 2.453 2.643 . 0 0 "[ . 1 . 2 . 3]" 2 192 1 66 ALA HA 1 68 ALA H 4.900 . 4.900 4.295 4.018 4.678 . 0 0 "[ . 1 . 2 . 3]" 2 193 1 66 ALA H 1 68 ALA H 4.700 . 4.700 4.014 3.703 4.210 . 0 0 "[ . 1 . 2 . 3]" 2 194 1 66 ALA HA 1 69 ALA H 3.900 . 3.900 3.398 3.195 3.702 . 0 0 "[ . 1 . 2 . 3]" 2 195 1 66 ALA HA 1 69 ALA MB 5.600 . 5.600 2.608 2.231 3.007 . 0 0 "[ . 1 . 2 . 3]" 2 196 1 67 ARG HA 1 68 ALA H 4.000 . 4.000 3.503 3.440 3.548 . 0 0 "[ . 1 . 2 . 3]" 2 197 1 67 ARG H 1 68 ALA H 3.300 . 3.300 2.668 2.565 2.772 . 0 0 "[ . 1 . 2 . 3]" 2 198 1 67 ARG HB2 1 68 ALA H 4.900 . 4.900 2.862 2.636 3.078 . 0 0 "[ . 1 . 2 . 3]" 2 199 1 67 ARG HA 1 69 ALA H 4.900 . 4.900 4.324 4.009 4.700 . 0 0 "[ . 1 . 2 . 3]" 2 200 1 67 ARG H 1 69 ALA H 4.700 . 4.700 4.053 3.867 4.277 . 0 0 "[ . 1 . 2 . 3]" 2 201 1 68 ALA HA 1 69 ALA H 4.000 . 4.000 3.494 3.404 3.560 . 0 0 "[ . 1 . 2 . 3]" 2 202 1 68 ALA MB 1 69 ALA H 4.900 . 4.900 2.681 2.342 2.938 . 0 0 "[ . 1 . 2 . 3]" 2 203 1 79 PRO HA 1 80 GLU H 4.000 . 4.000 3.523 3.416 3.604 . 0 0 "[ . 1 . 2 . 3]" 2 204 1 79 PRO HB2 1 80 GLU H 4.900 . 4.900 3.003 2.506 3.498 . 0 0 "[ . 1 . 2 . 3]" 2 205 1 79 PRO HA 1 82 ILE HB 5.600 . 5.600 4.681 4.037 5.611 0.011 26 0 "[ . 1 . 2 . 3]" 2 206 1 79 PRO HA 1 83 VAL H 4.700 . 4.700 4.577 4.229 4.771 0.071 2 0 "[ . 1 . 2 . 3]" 2 207 1 80 GLU HA 1 81 GLY H 4.000 . 4.000 3.244 3.207 3.347 . 0 0 "[ . 1 . 2 . 3]" 2 208 1 80 GLU HB2 1 81 GLY H 4.900 . 4.900 3.594 3.298 3.715 . 0 0 "[ . 1 . 2 . 3]" 2 209 1 80 GLU HA 1 82 ILE H 4.900 . 4.900 4.286 3.662 4.763 . 0 0 "[ . 1 . 2 . 3]" 2 210 1 80 GLU HA 1 84 LYS H 4.700 . 4.700 4.557 4.337 4.735 0.035 14 0 "[ . 1 . 2 . 3]" 2 211 1 81 GLY HA2 1 82 ILE H 4.000 . 4.000 3.395 3.188 3.504 . 0 0 "[ . 1 . 2 . 3]" 2 212 1 81 GLY HA2 1 83 VAL H 4.900 . 4.900 3.921 3.690 4.117 . 0 0 "[ . 1 . 2 . 3]" 2 213 1 81 GLY H 1 83 VAL H 4.700 . 4.700 3.719 3.397 4.068 . 0 0 "[ . 1 . 2 . 3]" 2 214 1 81 GLY HA2 1 84 LYS H 3.900 . 3.900 3.017 2.823 3.165 . 0 0 "[ . 1 . 2 . 3]" 2 215 1 81 GLY HA2 1 84 LYS HB2 5.600 . 5.600 3.042 2.408 3.577 . 0 0 "[ . 1 . 2 . 3]" 2 216 1 81 GLY HA2 1 85 GLU H 4.700 . 4.700 4.234 3.707 4.708 0.008 27 0 "[ . 1 . 2 . 3]" 2 217 1 82 ILE HA 1 83 VAL H 4.000 . 4.000 3.477 3.410 3.557 . 0 0 "[ . 1 . 2 . 3]" 2 218 1 82 ILE HB 1 83 VAL H 4.900 . 4.900 3.119 2.302 3.814 . 0 0 "[ . 1 . 2 . 3]" 2 219 1 82 ILE HA 1 84 LYS H 4.900 . 4.900 4.217 3.922 4.499 . 0 0 "[ . 1 . 2 . 3]" 2 220 1 82 ILE H 1 84 LYS H 4.700 . 4.700 4.026 3.657 4.332 . 0 0 "[ . 1 . 2 . 3]" 2 221 1 82 ILE HA 1 86 ILE H 4.700 . 4.700 4.144 3.826 4.579 . 0 0 "[ . 1 . 2 . 3]" 2 222 1 83 VAL HA 1 84 LYS H 4.000 . 4.000 3.390 3.316 3.482 . 0 0 "[ . 1 . 2 . 3]" 2 223 1 83 VAL H 1 85 GLU H 4.700 . 4.700 4.123 3.919 4.302 . 0 0 "[ . 1 . 2 . 3]" 2 224 1 84 LYS HA 1 85 GLU H 4.000 . 4.000 3.547 3.509 3.574 . 0 0 "[ . 1 . 2 . 3]" 2 225 1 84 LYS HB2 1 85 GLU H 4.900 . 4.900 3.831 3.665 4.034 . 0 0 "[ . 1 . 2 . 3]" 2 226 1 84 LYS HA 1 86 ILE H 4.900 . 4.900 4.356 4.159 4.503 . 0 0 "[ . 1 . 2 . 3]" 2 227 1 84 LYS H 1 86 ILE H 4.700 . 4.700 4.007 3.852 4.165 . 0 0 "[ . 1 . 2 . 3]" 2 228 1 84 LYS HA 1 87 LYS H 3.900 . 3.900 3.343 3.223 3.511 . 0 0 "[ . 1 . 2 . 3]" 2 229 1 84 LYS HA 1 87 LYS HB2 5.600 . 5.600 4.684 4.317 4.831 . 0 0 "[ . 1 . 2 . 3]" 2 230 1 84 LYS HA 1 88 GLU H 4.700 . 4.700 4.104 3.886 4.629 . 0 0 "[ . 1 . 2 . 3]" 2 231 1 85 GLU HA 1 86 ILE H 4.000 . 4.000 3.480 3.419 3.524 . 0 0 "[ . 1 . 2 . 3]" 2 232 1 85 GLU HB2 1 86 ILE H 4.900 . 4.900 3.403 2.104 4.000 . 0 0 "[ . 1 . 2 . 3]" 2 233 1 85 GLU HA 1 87 LYS H 4.900 . 4.900 4.545 4.370 4.654 . 0 0 "[ . 1 . 2 . 3]" 2 234 1 85 GLU HA 1 88 GLU H 3.900 . 3.900 3.786 3.508 3.944 0.044 7 0 "[ . 1 . 2 . 3]" 2 235 1 85 GLU HA 1 88 GLU HB2 5.600 . 5.600 3.216 2.787 3.796 . 0 0 "[ . 1 . 2 . 3]" 2 236 1 85 GLU HA 1 89 TRP H 4.700 . 4.700 4.320 3.977 4.701 0.001 1 0 "[ . 1 . 2 . 3]" 2 237 1 86 ILE HA 1 87 LYS H 4.000 . 4.000 3.558 3.504 3.617 . 0 0 "[ . 1 . 2 . 3]" 2 238 1 86 ILE HB 1 87 LYS H 4.900 . 4.900 2.631 2.480 2.773 . 0 0 "[ . 1 . 2 . 3]" 2 239 1 86 ILE HA 1 88 GLU H 4.900 . 4.900 4.454 4.265 4.665 . 0 0 "[ . 1 . 2 . 3]" 2 240 1 86 ILE H 1 88 GLU H 4.700 . 4.700 4.211 4.064 4.321 . 0 0 "[ . 1 . 2 . 3]" 2 241 1 86 ILE HA 1 89 TRP H 3.900 . 3.900 3.618 3.361 3.860 . 0 0 "[ . 1 . 2 . 3]" 2 242 1 86 ILE HA 1 90 ARG H 4.700 . 4.700 4.052 3.625 4.667 . 0 0 "[ . 1 . 2 . 3]" 2 243 1 87 LYS HA 1 88 GLU H 4.000 . 4.000 3.496 3.462 3.541 . 0 0 "[ . 1 . 2 . 3]" 2 244 1 87 LYS HB2 1 88 GLU H 4.900 . 4.900 3.998 3.852 4.140 . 0 0 "[ . 1 . 2 . 3]" 2 245 1 87 LYS HA 1 89 TRP H 4.900 . 4.900 4.341 4.074 4.665 . 0 0 "[ . 1 . 2 . 3]" 2 246 1 87 LYS H 1 89 TRP H 4.700 . 4.700 4.132 3.955 4.418 . 0 0 "[ . 1 . 2 . 3]" 2 247 1 87 LYS HA 1 91 ALA H 4.700 . 4.700 3.902 3.691 4.288 . 0 0 "[ . 1 . 2 . 3]" 2 248 1 88 GLU HA 1 89 TRP H 4.000 . 4.000 3.492 3.433 3.541 . 0 0 "[ . 1 . 2 . 3]" 2 249 1 88 GLU H 1 89 TRP H 3.300 . 3.300 2.582 2.491 2.675 . 0 0 "[ . 1 . 2 . 3]" 2 250 1 88 GLU HA 1 90 ARG H 4.900 . 4.900 4.480 4.244 4.709 . 0 0 "[ . 1 . 2 . 3]" 2 251 1 88 GLU H 1 90 ARG H 4.700 . 4.700 4.155 3.992 4.492 . 0 0 "[ . 1 . 2 . 3]" 2 252 1 88 GLU HA 1 91 ALA H 3.900 . 3.900 3.556 3.238 3.918 0.018 21 0 "[ . 1 . 2 . 3]" 2 253 1 88 GLU HA 1 92 ALA H 4.700 . 4.700 3.891 3.512 4.278 . 0 0 "[ . 1 . 2 . 3]" 2 254 1 89 TRP HA 1 90 ARG H 4.000 . 4.000 3.515 3.473 3.604 . 0 0 "[ . 1 . 2 . 3]" 2 255 1 89 TRP HA 1 91 ALA H 4.900 . 4.900 4.573 4.406 4.718 . 0 0 "[ . 1 . 2 . 3]" 2 256 1 89 TRP HA 1 92 ALA H 3.900 . 3.900 3.648 3.397 3.917 0.017 3 0 "[ . 1 . 2 . 3]" 2 257 1 89 TRP HA 1 93 ASN H 4.700 . 4.700 4.130 3.795 4.713 0.013 27 0 "[ . 1 . 2 . 3]" 2 258 1 90 ARG HA 1 91 ALA H 4.000 . 4.000 3.536 3.472 3.582 . 0 0 "[ . 1 . 2 . 3]" 2 259 1 90 ARG HA 1 92 ALA H 4.900 . 4.900 4.527 4.242 4.786 . 0 0 "[ . 1 . 2 . 3]" 2 260 1 90 ARG HA 1 93 ASN HB2 5.600 . 5.600 3.642 2.455 5.441 . 0 0 "[ . 1 . 2 . 3]" 2 261 1 91 ALA HA 1 92 ALA H 4.000 . 4.000 3.542 3.513 3.583 . 0 0 "[ . 1 . 2 . 3]" 2 262 1 91 ALA MB 1 92 ALA H 4.900 . 4.900 2.552 2.436 2.623 . 0 0 "[ . 1 . 2 . 3]" 2 263 1 91 ALA HA 1 93 ASN H 4.900 . 4.900 4.362 4.100 4.661 . 0 0 "[ . 1 . 2 . 3]" 2 264 1 92 ALA HA 1 93 ASN H 4.000 . 4.000 3.500 3.443 3.537 . 0 0 "[ . 1 . 2 . 3]" 2 265 1 92 ALA MB 1 93 ASN H 4.900 . 4.900 2.604 2.395 2.849 . 0 0 "[ . 1 . 2 . 3]" 2 stop_ save_
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