NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
645506 | 6tkt | 50088 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6tkt 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 1874 _Distance_constraint_stats_list.Viol_count 1361 _Distance_constraint_stats_list.Viol_total 711.204 _Distance_constraint_stats_list.Viol_max 0.307 _Distance_constraint_stats_list.Viol_rms 0.0077 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0009 _Distance_constraint_stats_list.Viol_average_violations_only 0.0261 _Distance_constraint_stats_list.Cutoff_violation_report 0.500 _Distance_constraint_stats_list.Details ; Description of the tags in this list: * 1 * Administrative tag * 2 * Administrative tag * 3 * Administrative tag * 4 * ID of the restraint list. * 5 * Number of restraints in list. * 6 * Number of violated restraints (each model violation is used). * 7 * Sum of violations in Angstrom. * 8 * Maximum violation of a restraint without averaging in any way. * 9 * Rms of violations over all restraints. * 10 * Average violation over all restraints. * 11 * Average violation over violated restraints. This violation is averaged over only those models in which the restraint is violated. These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998). * 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table. * 13 * This tag Description of the tags in the per residue table below: * 1 * Chain identifier (can be absent if none defined) * 2 * Residue number * 3 * Residue name * 4 * Maximum violation in ensemble of models (without any averaging) * 5 * Model number with the maximum violation * 6 * Number of models with a violation above cutoff * 7 * List of models (1 character per model) with a violation above cutoff. An '*' marks a violation above the cutoff. A '+' indicates the largest violation above the cutoff and a '-' marks the smallest violation over cutoff. For models 5, 15, 25,... a ' ' is replaced by a '.'. For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1. * 8 * Administrative tag * 9 * Administrative tag Description of the tags in the per restraint table below: * 1 * Restraint ID within restraint list. First node, FIRST member, first atom's: * 2 * Chain identifier (can be absent if none defined) * 3 * Residue number * 4 * Residue name * 5 * Name of (pseudo-)atom First node, SECOND member, first atom's: * 6 * Chain identifier (can be absent if none defined) * 7 * Residue number * 8 * Residue name * 9 * Name of (pseudo-)atom FIRST node's: * 10 * Target distance value (Angstrom) * 11 * Lower bound distance (Angstrom) * 12 * Upper bound distance (Angstrom) * 13 * Average distance in ensemble of models * 14 * Minimum distance in ensemble of models * 15 * Maximum distance in ensemble of models * 16 * Maximum violation (without any averaging) * 17 * Model number with the maximum violation * 18 * Number of models with a violation above cutoff * 19 * List of models with a violation above cutoff. See description above. * 20 * Administrative tag * 21 * Administrative tag ; loop_ _Distance_constraint_stats_per_res.Atom_entity_assembly_ID _Distance_constraint_stats_per_res.Atom_comp_index_ID _Distance_constraint_stats_per_res.Atom_comp_ID _Distance_constraint_stats_per_res.Total_violation _Distance_constraint_stats_per_res.Max_violation _Distance_constraint_stats_per_res.Max_violation_model_number _Distance_constraint_stats_per_res.Over_cutoff_viol_count _Distance_constraint_stats_per_res.Over_cutoff_viol_per_model 1 2 ALA 0.411 0.206 14 0 "[ . 1 . 2]" 1 3 MET 0.411 0.206 14 0 "[ . 1 . 2]" 1 4 ALA 0.091 0.040 11 0 "[ . 1 . 2]" 1 5 ASN 0.630 0.192 9 0 "[ . 1 . 2]" 1 6 PRO 0.496 0.192 9 0 "[ . 1 . 2]" 1 7 LYS 0.056 0.011 15 0 "[ . 1 . 2]" 1 8 THR 0.055 0.011 1 0 "[ . 1 . 2]" 1 9 ILE 0.121 0.011 16 0 "[ . 1 . 2]" 1 10 LYS 0.042 0.007 12 0 "[ . 1 . 2]" 1 11 ALA 0.165 0.016 12 0 "[ . 1 . 2]" 1 12 ALA 0.038 0.025 12 0 "[ . 1 . 2]" 1 13 ALA 0.020 0.010 17 0 "[ . 1 . 2]" 1 14 TYR 1.812 0.143 1 0 "[ . 1 . 2]" 1 15 ASN 0.471 0.066 12 0 "[ . 1 . 2]" 1 16 GLN 0.797 0.036 6 0 "[ . 1 . 2]" 1 17 ALA 0.531 0.036 6 0 "[ . 1 . 2]" 1 18 ARG 2.194 0.150 17 0 "[ . 1 . 2]" 1 19 SER 0.055 0.023 8 0 "[ . 1 . 2]" 1 20 THR 0.091 0.036 18 0 "[ . 1 . 2]" 1 21 LEU 1.830 0.086 17 0 "[ . 1 . 2]" 1 22 ALA 0.017 0.006 13 0 "[ . 1 . 2]" 1 23 ASP 0.080 0.030 17 0 "[ . 1 . 2]" 1 24 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 25 GLY 0.944 0.065 6 0 "[ . 1 . 2]" 1 26 SER 1.351 0.068 17 0 "[ . 1 . 2]" 1 27 ARG 0.087 0.019 13 0 "[ . 1 . 2]" 1 28 THR 1.227 0.075 17 0 "[ . 1 . 2]" 1 29 ALA 1.962 0.119 16 0 "[ . 1 . 2]" 1 30 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 31 LYS 0.037 0.037 19 0 "[ . 1 . 2]" 1 32 SER 0.026 0.012 20 0 "[ . 1 . 2]" 1 33 HIS 0.012 0.012 20 0 "[ . 1 . 2]" 1 34 PRO 1.325 0.106 12 0 "[ . 1 . 2]" 1 35 ILE 1.860 0.106 12 0 "[ . 1 . 2]" 1 36 HIS 0.067 0.025 16 0 "[ . 1 . 2]" 1 37 GLY 0.001 0.001 8 0 "[ . 1 . 2]" 1 38 LYS 0.000 0.000 . 0 "[ . 1 . 2]" 1 39 THR 0.000 0.000 14 0 "[ . 1 . 2]" 1 40 ASP 0.057 0.011 1 0 "[ . 1 . 2]" 1 41 VAL 0.085 0.016 12 0 "[ . 1 . 2]" 1 42 PRO 0.077 0.014 19 0 "[ . 1 . 2]" 1 43 VAL 1.376 0.109 1 0 "[ . 1 . 2]" 1 44 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 45 TYR 0.492 0.045 12 0 "[ . 1 . 2]" 1 46 GLY 1.073 0.070 12 0 "[ . 1 . 2]" 1 47 THR 1.280 0.109 1 0 "[ . 1 . 2]" 1 48 SER 0.005 0.005 12 0 "[ . 1 . 2]" 1 49 LEU 4.784 0.150 17 0 "[ . 1 . 2]" 1 50 LEU 1.920 0.127 1 0 "[ . 1 . 2]" 1 51 ALA 1.985 0.172 1 0 "[ . 1 . 2]" 1 52 ALA 0.155 0.020 6 0 "[ . 1 . 2]" 1 53 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 54 ARG 1.754 0.060 12 0 "[ . 1 . 2]" 1 55 ASP 1.000 0.026 10 0 "[ . 1 . 2]" 1 56 GLU 0.981 0.075 17 0 "[ . 1 . 2]" 1 57 PHE 2.639 0.086 17 0 "[ . 1 . 2]" 1 58 ARG 0.227 0.030 13 0 "[ . 1 . 2]" 1 59 GLN 0.524 0.183 20 0 "[ . 1 . 2]" 1 60 ALA 0.100 0.056 20 0 "[ . 1 . 2]" 1 61 ASP 1.664 0.171 7 0 "[ . 1 . 2]" 1 62 LYS 0.107 0.030 18 0 "[ . 1 . 2]" 1 63 LYS 0.361 0.307 13 0 "[ . 1 . 2]" 1 64 LEU 0.609 0.307 13 0 "[ . 1 . 2]" 1 65 PRO 0.781 0.117 18 0 "[ . 1 . 2]" 1 66 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 67 LYS 0.001 0.001 8 0 "[ . 1 . 2]" 1 68 ASP 0.814 0.117 18 0 "[ . 1 . 2]" 1 69 LYS 0.098 0.067 17 0 "[ . 1 . 2]" 1 70 LYS 0.662 0.086 10 0 "[ . 1 . 2]" 1 71 SER 0.000 0.000 18 0 "[ . 1 . 2]" 1 72 ASP 0.065 0.023 14 0 "[ . 1 . 2]" 1 73 MET 1.114 0.086 10 0 "[ . 1 . 2]" 1 74 SER 0.024 0.015 7 0 "[ . 1 . 2]" 1 75 ILE 0.614 0.043 20 0 "[ . 1 . 2]" 1 76 ALA 0.046 0.024 7 0 "[ . 1 . 2]" 1 77 HIS 2.981 0.171 7 0 "[ . 1 . 2]" 1 78 TYR 1.837 0.069 7 0 "[ . 1 . 2]" 1 79 ASN 0.042 0.024 7 0 "[ . 1 . 2]" 1 80 ALA 0.390 0.028 20 0 "[ . 1 . 2]" 1 81 VAL 3.556 0.146 10 0 "[ . 1 . 2]" 1 82 HIS 2.220 0.146 10 0 "[ . 1 . 2]" 1 83 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 84 ALA 0.162 0.025 12 0 "[ . 1 . 2]" 1 85 ALA 2.012 0.082 1 0 "[ . 1 . 2]" 1 86 LYS 0.010 0.004 3 0 "[ . 1 . 2]" 1 87 THR 0.367 0.030 14 0 "[ . 1 . 2]" 1 88 MET 2.132 0.094 1 0 "[ . 1 . 2]" 1 89 GLY 0.359 0.036 5 0 "[ . 1 . 2]" 1 90 ILE 0.811 0.059 1 0 "[ . 1 . 2]" 1 91 ASP 0.089 0.020 1 0 "[ . 1 . 2]" 1 92 THR 0.208 0.019 15 0 "[ . 1 . 2]" 1 93 TRP 5.623 0.172 1 0 "[ . 1 . 2]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 2 ALA HA 1 3 MET H . . 3.290 2.504 2.142 3.496 0.206 14 0 "[ . 1 . 2]" 1 2 1 2 ALA MB 1 3 MET HA . . 4.510 4.072 3.668 4.362 . 0 0 "[ . 1 . 2]" 1 3 1 3 MET H 1 3 MET QB . . 3.630 2.802 2.180 3.373 . 0 0 "[ . 1 . 2]" 1 4 1 3 MET H 1 3 MET HG2 . . 5.460 3.687 2.054 5.146 . 0 0 "[ . 1 . 2]" 1 5 1 3 MET H 1 3 MET QG . . 4.680 2.964 2.043 4.245 . 0 0 "[ . 1 . 2]" 1 6 1 3 MET H 1 3 MET HG3 . . 5.460 3.442 2.190 5.002 . 0 0 "[ . 1 . 2]" 1 7 1 3 MET HA 1 3 MET QG . . 3.690 2.611 2.018 3.366 . 0 0 "[ . 1 . 2]" 1 8 1 3 MET HA 1 4 ALA H . . 2.970 2.359 2.140 2.739 . 0 0 "[ . 1 . 2]" 1 9 1 3 MET QB 1 4 ALA H . . 4.480 3.396 1.921 4.043 . 0 0 "[ . 1 . 2]" 1 10 1 3 MET HB2 1 4 ALA H . . 5.190 4.065 2.829 4.625 . 0 0 "[ . 1 . 2]" 1 11 1 3 MET HB3 1 4 ALA H . . 5.190 3.784 1.950 4.647 . 0 0 "[ . 1 . 2]" 1 12 1 3 MET QG 1 4 ALA H . . 4.740 4.002 2.083 4.522 . 0 0 "[ . 1 . 2]" 1 13 1 4 ALA H 1 4 ALA MB . . 3.120 2.848 2.726 2.911 . 0 0 "[ . 1 . 2]" 1 14 1 4 ALA H 1 5 ASN QB . . 5.340 5.281 5.114 5.380 0.040 11 0 "[ . 1 . 2]" 1 15 1 4 ALA HA 1 5 ASN H . . 2.940 2.178 2.141 2.286 . 0 0 "[ . 1 . 2]" 1 16 1 4 ALA HA 1 5 ASN QB . . 5.150 4.668 4.157 4.792 . 0 0 "[ . 1 . 2]" 1 17 1 4 ALA HA 1 5 ASN QD . . 5.340 4.245 3.238 5.351 0.011 1 0 "[ . 1 . 2]" 1 18 1 4 ALA MB 1 5 ASN H . . 3.580 3.378 2.916 3.613 0.033 11 0 "[ . 1 . 2]" 1 19 1 4 ALA MB 1 5 ASN HA . . 4.780 4.282 4.106 4.626 . 0 0 "[ . 1 . 2]" 1 20 1 4 ALA MB 1 5 ASN QB . . 5.340 5.039 4.725 5.217 . 0 0 "[ . 1 . 2]" 1 21 1 5 ASN H 1 5 ASN HB2 . . 3.660 2.999 2.213 3.543 . 0 0 "[ . 1 . 2]" 1 22 1 5 ASN H 1 5 ASN QB . . 3.110 2.795 2.190 3.076 . 0 0 "[ . 1 . 2]" 1 23 1 5 ASN H 1 5 ASN HB3 . . 3.760 3.532 2.868 3.726 . 0 0 "[ . 1 . 2]" 1 24 1 5 ASN H 1 6 PRO HD2 . . 5.420 4.766 4.705 4.795 . 0 0 "[ . 1 . 2]" 1 25 1 5 ASN H 1 6 PRO HD3 . . 5.500 5.070 5.036 5.087 . 0 0 "[ . 1 . 2]" 1 26 1 5 ASN H 1 43 VAL QG . . 5.440 4.509 4.299 4.638 . 0 0 "[ . 1 . 2]" 1 27 1 5 ASN H 1 43 VAL MG2 . . 5.500 4.940 4.779 5.101 . 0 0 "[ . 1 . 2]" 1 28 1 5 ASN H 1 92 THR MG . . 5.500 4.824 3.529 5.518 0.018 7 0 "[ . 1 . 2]" 1 29 1 5 ASN HA 1 5 ASN HD22 . . 5.500 4.291 3.461 4.937 . 0 0 "[ . 1 . 2]" 1 30 1 5 ASN HA 1 6 PRO HD2 . . 3.230 2.473 2.442 2.525 . 0 0 "[ . 1 . 2]" 1 31 1 5 ASN HA 1 6 PRO HD3 . . 3.150 2.331 2.316 2.356 . 0 0 "[ . 1 . 2]" 1 32 1 5 ASN HA 1 6 PRO HG2 . . 4.650 4.573 4.547 4.616 . 0 0 "[ . 1 . 2]" 1 33 1 5 ASN HA 1 6 PRO QG . . 4.510 4.049 4.028 4.083 . 0 0 "[ . 1 . 2]" 1 34 1 5 ASN HA 1 43 VAL QG . . 5.440 3.922 3.666 4.438 . 0 0 "[ . 1 . 2]" 1 35 1 5 ASN HA 1 90 ILE MG . . 5.500 3.603 3.023 4.026 . 0 0 "[ . 1 . 2]" 1 36 1 5 ASN HA 1 91 ASP H . . 4.360 3.275 2.863 3.954 . 0 0 "[ . 1 . 2]" 1 37 1 5 ASN QB 1 5 ASN QD . . 3.080 2.289 2.094 2.575 . 0 0 "[ . 1 . 2]" 1 38 1 5 ASN QB 1 6 PRO HD2 . . 3.300 1.958 1.935 2.045 . 0 0 "[ . 1 . 2]" 1 39 1 5 ASN QB 1 6 PRO HD3 . . 3.860 3.220 3.166 3.403 . 0 0 "[ . 1 . 2]" 1 40 1 5 ASN QB 1 6 PRO HG2 . . 4.270 3.710 3.561 3.777 . 0 0 "[ . 1 . 2]" 1 41 1 5 ASN QB 1 6 PRO QG . . 5.080 3.530 3.408 3.583 . 0 0 "[ . 1 . 2]" 1 42 1 5 ASN QB 1 43 VAL HB . . 5.340 3.362 3.088 3.631 . 0 0 "[ . 1 . 2]" 1 43 1 5 ASN QB 1 43 VAL QG . . 3.490 1.932 1.812 2.129 . 0 0 "[ . 1 . 2]" 1 44 1 5 ASN QB 1 47 THR MG . . 4.620 3.747 3.532 3.958 . 0 0 "[ . 1 . 2]" 1 45 1 5 ASN QB 1 90 ILE HA . . 4.630 3.224 2.139 4.527 . 0 0 "[ . 1 . 2]" 1 46 1 5 ASN QB 1 90 ILE MD . . 5.340 4.102 3.762 4.325 . 0 0 "[ . 1 . 2]" 1 47 1 5 ASN QB 1 90 ILE HG12 . . 5.340 3.254 2.617 3.772 . 0 0 "[ . 1 . 2]" 1 48 1 5 ASN QB 1 90 ILE QG . . 5.180 3.199 2.564 3.701 . 0 0 "[ . 1 . 2]" 1 49 1 5 ASN QB 1 90 ILE MG . . 4.730 2.542 1.947 3.539 . 0 0 "[ . 1 . 2]" 1 50 1 5 ASN HB2 1 6 PRO HD2 . . 4.000 2.841 1.976 3.609 . 0 0 "[ . 1 . 2]" 1 51 1 5 ASN HB2 1 43 VAL MG1 . . 5.730 3.113 2.347 3.941 . 0 0 "[ . 1 . 2]" 1 52 1 5 ASN HB2 1 43 VAL MG2 . . 5.730 2.560 1.986 3.169 . 0 0 "[ . 1 . 2]" 1 53 1 5 ASN HB2 1 47 THR MG . . 5.500 4.516 4.129 4.851 . 0 0 "[ . 1 . 2]" 1 54 1 5 ASN HB2 1 90 ILE MD . . 5.500 5.211 4.247 5.516 0.016 1 0 "[ . 1 . 2]" 1 55 1 5 ASN HB2 1 90 ILE MG . . 5.500 3.911 3.095 4.612 . 0 0 "[ . 1 . 2]" 1 56 1 5 ASN HB3 1 6 PRO HD2 . . 4.000 2.149 1.964 2.761 . 0 0 "[ . 1 . 2]" 1 57 1 5 ASN HB3 1 43 VAL MG2 . . 5.730 2.296 1.941 3.315 . 0 0 "[ . 1 . 2]" 1 58 1 5 ASN HB3 1 47 THR MG . . 5.250 4.041 3.673 4.562 . 0 0 "[ . 1 . 2]" 1 59 1 5 ASN HB3 1 90 ILE MD . . 5.500 4.331 4.151 4.522 . 0 0 "[ . 1 . 2]" 1 60 1 5 ASN HB3 1 90 ILE HG12 . . 5.500 3.389 2.948 3.864 . 0 0 "[ . 1 . 2]" 1 61 1 5 ASN HB3 1 90 ILE MG . . 5.500 2.584 1.964 3.779 . 0 0 "[ . 1 . 2]" 1 62 1 5 ASN QD 1 6 PRO HD2 . . 4.780 3.999 3.625 4.662 . 0 0 "[ . 1 . 2]" 1 63 1 5 ASN QD 1 6 PRO HD3 . . 5.340 4.682 4.201 5.532 0.192 9 0 "[ . 1 . 2]" 1 64 1 5 ASN QD 1 43 VAL QG . . 4.270 3.450 2.271 3.902 . 0 0 "[ . 1 . 2]" 1 65 1 5 ASN QD 1 47 THR MG . . 4.300 3.859 2.666 4.303 0.003 2 0 "[ . 1 . 2]" 1 66 1 5 ASN QD 1 90 ILE HA . . 5.340 3.787 3.290 4.619 . 0 0 "[ . 1 . 2]" 1 67 1 5 ASN QD 1 90 ILE HG12 . . 5.040 4.500 3.777 4.958 . 0 0 "[ . 1 . 2]" 1 68 1 5 ASN QD 1 90 ILE MG . . 4.140 2.301 1.884 2.661 . 0 0 "[ . 1 . 2]" 1 69 1 5 ASN QD 1 92 THR HB . . 4.830 3.510 1.929 4.433 . 0 0 "[ . 1 . 2]" 1 70 1 5 ASN QD 1 92 THR MG . . 4.720 2.865 1.874 3.822 . 0 0 "[ . 1 . 2]" 1 71 1 5 ASN QD 1 93 TRP HA . . 5.340 3.705 2.832 4.198 . 0 0 "[ . 1 . 2]" 1 72 1 5 ASN HD21 1 47 THR MG . . 5.250 4.322 2.992 4.943 . 0 0 "[ . 1 . 2]" 1 73 1 5 ASN HD21 1 90 ILE HA . . 5.500 3.924 3.336 5.377 . 0 0 "[ . 1 . 2]" 1 74 1 5 ASN HD21 1 90 ILE MG . . 5.440 2.419 1.897 3.120 . 0 0 "[ . 1 . 2]" 1 75 1 5 ASN HD21 1 92 THR HB . . 5.500 4.479 2.562 5.490 . 0 0 "[ . 1 . 2]" 1 76 1 5 ASN HD21 1 92 THR MG . . 5.330 3.664 2.107 4.725 . 0 0 "[ . 1 . 2]" 1 77 1 5 ASN HD22 1 47 THR MG . . 4.910 4.408 2.994 4.908 . 0 0 "[ . 1 . 2]" 1 78 1 5 ASN HD22 1 90 ILE HA . . 5.500 5.322 4.244 5.519 0.019 19 0 "[ . 1 . 2]" 1 79 1 5 ASN HD22 1 90 ILE MG . . 4.940 3.324 2.131 3.652 . 0 0 "[ . 1 . 2]" 1 80 1 5 ASN HD22 1 92 THR HB . . 5.500 3.736 1.944 5.127 . 0 0 "[ . 1 . 2]" 1 81 1 5 ASN HD22 1 92 THR MG . . 4.600 3.028 1.904 4.132 . 0 0 "[ . 1 . 2]" 1 82 1 6 PRO HA 1 7 LYS H . . 2.990 2.313 2.166 2.638 . 0 0 "[ . 1 . 2]" 1 83 1 6 PRO HA 1 8 THR H . . 4.760 4.186 3.913 4.761 0.001 3 0 "[ . 1 . 2]" 1 84 1 6 PRO HA 1 43 VAL MG1 . . 5.500 5.335 5.004 5.507 0.007 18 0 "[ . 1 . 2]" 1 85 1 6 PRO HA 1 43 VAL QG . . 5.440 4.759 4.564 4.900 . 0 0 "[ . 1 . 2]" 1 86 1 6 PRO HA 1 43 VAL MG2 . . 5.500 5.363 5.040 5.502 0.002 9 0 "[ . 1 . 2]" 1 87 1 6 PRO HB2 1 7 LYS H . . 3.730 2.912 2.069 3.415 . 0 0 "[ . 1 . 2]" 1 88 1 6 PRO HB2 1 7 LYS HA . . 4.960 4.738 4.338 4.966 0.006 15 0 "[ . 1 . 2]" 1 89 1 6 PRO HB2 1 8 THR H . . 3.580 2.702 2.586 2.990 . 0 0 "[ . 1 . 2]" 1 90 1 6 PRO HB2 1 9 ILE MG . . 4.770 3.299 2.906 3.770 . 0 0 "[ . 1 . 2]" 1 91 1 6 PRO HB2 1 43 VAL MG1 . . 5.500 5.226 4.934 5.461 . 0 0 "[ . 1 . 2]" 1 92 1 6 PRO HB2 1 43 VAL QG . . 5.440 4.518 4.267 4.750 . 0 0 "[ . 1 . 2]" 1 93 1 6 PRO HB2 1 43 VAL MG2 . . 5.270 4.953 4.532 5.262 . 0 0 "[ . 1 . 2]" 1 94 1 6 PRO HB3 1 7 LYS H . . 4.430 3.631 3.207 3.921 . 0 0 "[ . 1 . 2]" 1 95 1 6 PRO HB3 1 9 ILE MG . . 5.340 4.127 3.737 4.548 . 0 0 "[ . 1 . 2]" 1 96 1 6 PRO HB3 1 43 VAL QG . . 5.440 5.096 4.810 5.448 0.008 9 0 "[ . 1 . 2]" 1 97 1 6 PRO HD2 1 43 VAL QG . . 3.880 2.483 1.977 3.185 . 0 0 "[ . 1 . 2]" 1 98 1 6 PRO HD2 1 43 VAL MG2 . . 4.410 2.500 1.982 3.222 . 0 0 "[ . 1 . 2]" 1 99 1 6 PRO HD2 1 47 THR MG . . 5.500 4.742 4.141 5.384 . 0 0 "[ . 1 . 2]" 1 100 1 6 PRO HD2 1 90 ILE MD . . 5.200 4.198 3.668 4.623 . 0 0 "[ . 1 . 2]" 1 101 1 6 PRO HD2 1 90 ILE HG12 . . 5.500 2.738 2.197 3.162 . 0 0 "[ . 1 . 2]" 1 102 1 6 PRO HD2 1 90 ILE HG13 . . 5.500 3.959 3.466 4.470 . 0 0 "[ . 1 . 2]" 1 103 1 6 PRO HD2 1 91 ASP H . . 5.500 4.215 3.903 4.630 . 0 0 "[ . 1 . 2]" 1 104 1 6 PRO HD3 1 43 VAL QG . . 4.610 4.007 3.568 4.628 0.018 19 0 "[ . 1 . 2]" 1 105 1 6 PRO HD3 1 90 ILE H . . 5.500 4.818 4.160 5.218 . 0 0 "[ . 1 . 2]" 1 106 1 6 PRO HD3 1 91 ASP H . . 5.500 4.149 3.618 4.912 . 0 0 "[ . 1 . 2]" 1 107 1 6 PRO QG 1 43 VAL QG . . 5.230 3.028 2.620 3.498 . 0 0 "[ . 1 . 2]" 1 108 1 6 PRO HG2 1 43 VAL MG1 . . 5.050 4.352 4.006 4.869 . 0 0 "[ . 1 . 2]" 1 109 1 6 PRO HG2 1 43 VAL MG2 . . 5.050 3.188 2.716 3.712 . 0 0 "[ . 1 . 2]" 1 110 1 6 PRO HG3 1 43 VAL QG . . 4.790 4.172 3.694 4.793 0.003 9 0 "[ . 1 . 2]" 1 111 1 7 LYS H 1 7 LYS HB2 . . 4.120 2.477 2.083 3.579 . 0 0 "[ . 1 . 2]" 1 112 1 7 LYS H 1 7 LYS QB . . 3.380 2.351 2.065 2.628 . 0 0 "[ . 1 . 2]" 1 113 1 7 LYS H 1 7 LYS HB3 . . 4.200 3.456 2.700 3.687 . 0 0 "[ . 1 . 2]" 1 114 1 7 LYS H 1 7 LYS HG2 . . 4.250 3.321 1.974 4.252 0.002 14 0 "[ . 1 . 2]" 1 115 1 7 LYS H 1 7 LYS QG . . 3.790 2.623 1.941 3.371 . 0 0 "[ . 1 . 2]" 1 116 1 7 LYS H 1 7 LYS HG3 . . 4.250 3.026 2.079 3.781 . 0 0 "[ . 1 . 2]" 1 117 1 7 LYS H 1 8 THR H . . 3.360 2.564 2.119 2.792 . 0 0 "[ . 1 . 2]" 1 118 1 7 LYS HA 1 7 LYS QG . . 3.700 2.461 2.073 3.372 . 0 0 "[ . 1 . 2]" 1 119 1 7 LYS HA 1 43 VAL MG1 . . 4.360 3.476 2.535 3.729 . 0 0 "[ . 1 . 2]" 1 120 1 7 LYS HA 1 43 VAL QG . . 3.650 3.434 2.524 3.661 0.011 15 0 "[ . 1 . 2]" 1 121 1 7 LYS QB 1 8 THR H . . 3.830 2.757 2.464 3.365 . 0 0 "[ . 1 . 2]" 1 122 1 7 LYS QB 1 8 THR HA . . 5.340 4.333 4.167 4.607 . 0 0 "[ . 1 . 2]" 1 123 1 7 LYS QB 1 8 THR HB . . 5.340 4.999 4.833 5.344 0.004 1 0 "[ . 1 . 2]" 1 124 1 7 LYS QB 1 8 THR MG . . 3.670 2.879 2.613 3.577 . 0 0 "[ . 1 . 2]" 1 125 1 7 LYS HB2 1 8 THR H . . 4.570 2.896 2.556 3.588 . 0 0 "[ . 1 . 2]" 1 126 1 7 LYS HB2 1 8 THR HA . . 5.500 4.980 4.642 5.465 . 0 0 "[ . 1 . 2]" 1 127 1 7 LYS HB2 1 8 THR MG . . 4.490 3.616 2.731 4.341 . 0 0 "[ . 1 . 2]" 1 128 1 7 LYS HB3 1 8 THR H . . 4.570 3.578 3.129 4.070 . 0 0 "[ . 1 . 2]" 1 129 1 7 LYS HB3 1 8 THR MG . . 4.490 3.210 2.665 4.238 . 0 0 "[ . 1 . 2]" 1 130 1 7 LYS QG 1 8 THR H . . 4.610 4.013 1.936 4.522 . 0 0 "[ . 1 . 2]" 1 131 1 8 THR H 1 8 THR MG . . 3.670 3.280 2.729 3.654 . 0 0 "[ . 1 . 2]" 1 132 1 8 THR H 1 9 ILE H . . 4.810 4.361 4.271 4.483 . 0 0 "[ . 1 . 2]" 1 133 1 8 THR H 1 9 ILE HA . . 5.460 4.732 4.629 4.978 . 0 0 "[ . 1 . 2]" 1 134 1 8 THR HA 1 8 THR MG . . 3.140 2.205 2.027 2.378 . 0 0 "[ . 1 . 2]" 1 135 1 8 THR HA 1 9 ILE H . . 3.280 2.317 2.178 2.563 . 0 0 "[ . 1 . 2]" 1 136 1 8 THR HA 1 9 ILE HG13 . . 4.910 4.085 3.961 4.376 . 0 0 "[ . 1 . 2]" 1 137 1 8 THR HA 1 40 ASP QB . . 5.340 4.708 4.337 5.344 0.004 7 0 "[ . 1 . 2]" 1 138 1 8 THR HA 1 41 VAL MG2 . . 5.480 4.982 4.706 5.337 . 0 0 "[ . 1 . 2]" 1 139 1 8 THR HA 1 42 PRO HA . . 3.520 2.338 2.111 2.652 . 0 0 "[ . 1 . 2]" 1 140 1 8 THR HA 1 42 PRO HB3 . . 5.500 4.488 4.198 4.857 . 0 0 "[ . 1 . 2]" 1 141 1 8 THR HA 1 43 VAL H . . 3.760 2.949 2.349 3.265 . 0 0 "[ . 1 . 2]" 1 142 1 8 THR HA 1 43 VAL HA . . 4.470 4.339 3.971 4.475 0.005 15 0 "[ . 1 . 2]" 1 143 1 8 THR HA 1 43 VAL HB . . 5.500 4.287 3.747 4.616 . 0 0 "[ . 1 . 2]" 1 144 1 8 THR HB 1 9 ILE H . . 3.210 2.681 2.059 3.103 . 0 0 "[ . 1 . 2]" 1 145 1 8 THR HB 1 40 ASP HA . . 5.340 5.020 4.573 5.336 . 0 0 "[ . 1 . 2]" 1 146 1 8 THR HB 1 40 ASP HB2 . . 4.030 2.645 2.210 3.139 . 0 0 "[ . 1 . 2]" 1 147 1 8 THR HB 1 40 ASP QB . . 3.420 2.616 2.193 3.092 . 0 0 "[ . 1 . 2]" 1 148 1 8 THR HB 1 40 ASP HB3 . . 4.790 4.138 3.683 4.658 . 0 0 "[ . 1 . 2]" 1 149 1 8 THR HB 1 41 VAL H . . 4.390 4.239 3.873 4.395 0.005 18 0 "[ . 1 . 2]" 1 150 1 8 THR HB 1 41 VAL MG2 . . 5.500 4.960 4.684 5.226 . 0 0 "[ . 1 . 2]" 1 151 1 8 THR HB 1 42 PRO HA . . 4.320 4.025 3.254 4.325 0.005 14 0 "[ . 1 . 2]" 1 152 1 8 THR MG 1 9 ILE H . . 3.780 3.558 2.929 3.781 0.001 18 0 "[ . 1 . 2]" 1 153 1 8 THR MG 1 40 ASP HB2 . . 4.790 3.556 2.924 3.921 . 0 0 "[ . 1 . 2]" 1 154 1 8 THR MG 1 40 ASP QB . . 4.070 3.471 2.883 3.791 . 0 0 "[ . 1 . 2]" 1 155 1 8 THR MG 1 40 ASP HB3 . . 5.200 4.857 4.381 5.211 0.011 1 0 "[ . 1 . 2]" 1 156 1 8 THR MG 1 41 VAL H . . 5.460 4.748 3.853 5.151 . 0 0 "[ . 1 . 2]" 1 157 1 8 THR MG 1 41 VAL HA . . 4.870 4.377 3.571 4.852 . 0 0 "[ . 1 . 2]" 1 158 1 8 THR MG 1 42 PRO HA . . 3.290 2.448 1.985 3.053 . 0 0 "[ . 1 . 2]" 1 159 1 8 THR MG 1 42 PRO HB3 . . 5.160 3.527 3.025 4.082 . 0 0 "[ . 1 . 2]" 1 160 1 8 THR MG 1 43 VAL H . . 4.450 3.932 3.513 4.384 . 0 0 "[ . 1 . 2]" 1 161 1 9 ILE H 1 9 ILE HB . . 4.100 3.765 3.702 3.887 . 0 0 "[ . 1 . 2]" 1 162 1 9 ILE H 1 9 ILE MD . . 4.090 3.783 3.677 3.981 . 0 0 "[ . 1 . 2]" 1 163 1 9 ILE H 1 9 ILE HG12 . . 3.830 2.861 2.654 3.193 . 0 0 "[ . 1 . 2]" 1 164 1 9 ILE H 1 9 ILE HG13 . . 4.050 2.110 1.966 2.387 . 0 0 "[ . 1 . 2]" 1 165 1 9 ILE H 1 40 ASP HA . . 5.430 5.211 4.521 5.441 0.011 16 0 "[ . 1 . 2]" 1 166 1 9 ILE H 1 40 ASP QB . . 4.720 3.765 3.184 4.231 . 0 0 "[ . 1 . 2]" 1 167 1 9 ILE H 1 41 VAL MG2 . . 4.420 3.366 3.148 3.612 . 0 0 "[ . 1 . 2]" 1 168 1 9 ILE H 1 42 PRO HA . . 4.520 3.560 3.154 3.975 . 0 0 "[ . 1 . 2]" 1 169 1 9 ILE H 1 43 VAL H . . 5.000 4.257 3.769 4.878 . 0 0 "[ . 1 . 2]" 1 170 1 9 ILE HA 1 9 ILE MD . . 4.120 4.079 4.037 4.125 0.005 1 0 "[ . 1 . 2]" 1 171 1 9 ILE HA 1 9 ILE MG . . 3.190 2.164 2.119 2.227 . 0 0 "[ . 1 . 2]" 1 172 1 9 ILE HA 1 10 LYS H . . 3.230 2.161 2.144 2.280 . 0 0 "[ . 1 . 2]" 1 173 1 9 ILE HA 1 13 ALA MB . . 5.430 4.435 4.183 4.720 . 0 0 "[ . 1 . 2]" 1 174 1 9 ILE HB 1 9 ILE MD . . 3.390 2.202 2.072 2.264 . 0 0 "[ . 1 . 2]" 1 175 1 9 ILE HB 1 10 LYS H . . 3.490 3.217 2.693 3.327 . 0 0 "[ . 1 . 2]" 1 176 1 9 ILE HB 1 41 VAL MG2 . . 4.260 4.063 3.840 4.241 . 0 0 "[ . 1 . 2]" 1 177 1 9 ILE HB 1 46 GLY H . . 5.340 5.342 5.334 5.347 0.007 12 0 "[ . 1 . 2]" 1 178 1 9 ILE HB 1 46 GLY HA3 . . 4.660 4.440 4.292 4.581 . 0 0 "[ . 1 . 2]" 1 179 1 9 ILE MD 1 10 LYS H . . 5.100 4.535 4.165 4.681 . 0 0 "[ . 1 . 2]" 1 180 1 9 ILE MD 1 14 TYR HA . . 4.780 3.970 3.749 4.208 . 0 0 "[ . 1 . 2]" 1 181 1 9 ILE MD 1 14 TYR HB2 . . 3.740 3.050 2.575 3.317 . 0 0 "[ . 1 . 2]" 1 182 1 9 ILE MD 1 41 VAL H . . 5.500 4.113 3.918 4.385 . 0 0 "[ . 1 . 2]" 1 183 1 9 ILE MD 1 41 VAL MG2 . . 3.430 2.179 1.968 2.466 . 0 0 "[ . 1 . 2]" 1 184 1 9 ILE MD 1 45 TYR H . . 4.630 4.129 3.939 4.339 . 0 0 "[ . 1 . 2]" 1 185 1 9 ILE MD 1 45 TYR HB2 . . 5.210 4.180 4.029 4.407 . 0 0 "[ . 1 . 2]" 1 186 1 9 ILE MD 1 45 TYR HB3 . . 4.170 2.750 2.585 2.973 . 0 0 "[ . 1 . 2]" 1 187 1 9 ILE MD 1 46 GLY H . . 3.710 2.156 2.003 2.367 . 0 0 "[ . 1 . 2]" 1 188 1 9 ILE MD 1 46 GLY HA2 . . 3.550 2.623 2.435 2.785 . 0 0 "[ . 1 . 2]" 1 189 1 9 ILE MD 1 46 GLY HA3 . . 3.390 1.995 1.880 2.146 . 0 0 "[ . 1 . 2]" 1 190 1 9 ILE MD 1 47 THR H . . 5.500 4.028 3.814 4.176 . 0 0 "[ . 1 . 2]" 1 191 1 9 ILE MD 1 48 SER H . . 5.500 5.421 5.343 5.505 0.005 12 0 "[ . 1 . 2]" 1 192 1 9 ILE MD 1 88 MET HA . . 4.600 3.854 3.581 4.175 . 0 0 "[ . 1 . 2]" 1 193 1 9 ILE MD 1 88 MET QB . . 5.000 3.297 2.882 3.622 . 0 0 "[ . 1 . 2]" 1 194 1 9 ILE MD 1 88 MET HG2 . . 4.460 2.511 2.330 2.710 . 0 0 "[ . 1 . 2]" 1 195 1 9 ILE MD 1 88 MET HG3 . . 5.500 4.062 3.908 4.287 . 0 0 "[ . 1 . 2]" 1 196 1 9 ILE HG12 1 41 VAL MG2 . . 4.720 3.334 3.228 3.463 . 0 0 "[ . 1 . 2]" 1 197 1 9 ILE HG12 1 43 VAL HA . . 4.500 2.301 2.000 2.622 . 0 0 "[ . 1 . 2]" 1 198 1 9 ILE HG12 1 45 TYR H . . 5.400 4.522 4.365 4.625 . 0 0 "[ . 1 . 2]" 1 199 1 9 ILE HG12 1 46 GLY H . . 5.500 3.111 2.935 3.313 . 0 0 "[ . 1 . 2]" 1 200 1 9 ILE HG13 1 10 LYS H . . 5.130 4.515 4.220 4.581 . 0 0 "[ . 1 . 2]" 1 201 1 9 ILE HG13 1 41 VAL H . . 5.500 3.372 3.164 3.560 . 0 0 "[ . 1 . 2]" 1 202 1 9 ILE HG13 1 41 VAL MG2 . . 4.100 2.056 1.967 2.206 . 0 0 "[ . 1 . 2]" 1 203 1 9 ILE HG13 1 43 VAL H . . 5.500 4.932 4.671 5.145 . 0 0 "[ . 1 . 2]" 1 204 1 9 ILE HG13 1 43 VAL HA . . 4.820 3.930 3.666 4.182 . 0 0 "[ . 1 . 2]" 1 205 1 9 ILE HG13 1 46 GLY HA3 . . 5.200 4.482 4.236 4.809 . 0 0 "[ . 1 . 2]" 1 206 1 9 ILE MG 1 10 LYS H . . 3.820 3.778 3.622 3.827 0.007 12 0 "[ . 1 . 2]" 1 207 1 9 ILE MG 1 43 VAL H . . 5.400 4.030 3.598 4.495 . 0 0 "[ . 1 . 2]" 1 208 1 9 ILE MG 1 43 VAL HA . . 3.610 2.487 2.176 2.744 . 0 0 "[ . 1 . 2]" 1 209 1 9 ILE MG 1 88 MET HA . . 3.950 2.942 2.343 3.322 . 0 0 "[ . 1 . 2]" 1 210 1 9 ILE MG 1 88 MET HB2 . . 4.800 3.880 3.559 4.182 . 0 0 "[ . 1 . 2]" 1 211 1 9 ILE MG 1 88 MET QB . . 4.540 2.318 1.970 2.647 . 0 0 "[ . 1 . 2]" 1 212 1 9 ILE MG 1 88 MET HB3 . . 4.800 2.337 1.980 2.678 . 0 0 "[ . 1 . 2]" 1 213 1 9 ILE MG 1 88 MET HG3 . . 5.500 4.527 3.880 4.976 . 0 0 "[ . 1 . 2]" 1 214 1 9 ILE MG 1 89 GLY H . . 5.200 4.699 4.521 4.953 . 0 0 "[ . 1 . 2]" 1 215 1 9 ILE MG 1 89 GLY QA . . 5.340 4.066 3.836 4.361 . 0 0 "[ . 1 . 2]" 1 216 1 10 LYS H 1 10 LYS HB2 . . 4.180 2.157 2.060 2.491 . 0 0 "[ . 1 . 2]" 1 217 1 10 LYS H 1 10 LYS QB . . 3.480 2.133 2.040 2.448 . 0 0 "[ . 1 . 2]" 1 218 1 10 LYS H 1 10 LYS HB3 . . 4.180 3.402 3.284 3.590 . 0 0 "[ . 1 . 2]" 1 219 1 10 LYS H 1 10 LYS QD . . 5.340 3.391 2.694 4.435 . 0 0 "[ . 1 . 2]" 1 220 1 10 LYS H 1 10 LYS HG2 . . 4.550 3.769 2.199 4.524 . 0 0 "[ . 1 . 2]" 1 221 1 10 LYS H 1 10 LYS QG . . 3.760 3.294 2.173 3.767 0.007 19 0 "[ . 1 . 2]" 1 222 1 10 LYS H 1 10 LYS HG3 . . 4.550 3.853 3.400 4.055 . 0 0 "[ . 1 . 2]" 1 223 1 10 LYS H 1 13 ALA H . . 5.360 4.638 4.416 4.848 . 0 0 "[ . 1 . 2]" 1 224 1 10 LYS H 1 13 ALA MB . . 3.700 3.583 3.368 3.706 0.006 5 0 "[ . 1 . 2]" 1 225 1 10 LYS HA 1 10 LYS HD2 . . 4.170 3.338 2.134 4.012 . 0 0 "[ . 1 . 2]" 1 226 1 10 LYS HA 1 10 LYS QD . . 3.510 2.701 2.071 3.097 . 0 0 "[ . 1 . 2]" 1 227 1 10 LYS HA 1 10 LYS HD3 . . 4.170 3.064 2.118 3.844 . 0 0 "[ . 1 . 2]" 1 228 1 10 LYS HA 1 10 LYS HG2 . . 4.200 3.087 2.244 3.479 . 0 0 "[ . 1 . 2]" 1 229 1 10 LYS HA 1 10 LYS QG . . 3.690 2.254 2.035 2.745 . 0 0 "[ . 1 . 2]" 1 230 1 10 LYS HA 1 10 LYS HG3 . . 4.170 2.728 2.051 3.761 . 0 0 "[ . 1 . 2]" 1 231 1 10 LYS HA 1 11 ALA H . . 3.090 2.173 2.150 2.205 . 0 0 "[ . 1 . 2]" 1 232 1 10 LYS HA 1 11 ALA MB . . 4.210 4.003 3.958 4.043 . 0 0 "[ . 1 . 2]" 1 233 1 10 LYS HA 1 12 ALA H . . 4.720 3.998 3.921 4.085 . 0 0 "[ . 1 . 2]" 1 234 1 10 LYS HA 1 13 ALA H . . 5.020 4.607 4.557 4.704 . 0 0 "[ . 1 . 2]" 1 235 1 10 LYS HA 1 13 ALA MB . . 5.400 4.694 4.593 4.843 . 0 0 "[ . 1 . 2]" 1 236 1 10 LYS HA 1 40 ASP HA . . 3.660 3.334 2.975 3.602 . 0 0 "[ . 1 . 2]" 1 237 1 10 LYS HA 1 40 ASP HB2 . . 5.500 3.774 3.043 4.292 . 0 0 "[ . 1 . 2]" 1 238 1 10 LYS HA 1 40 ASP QB . . 4.730 2.995 2.224 3.416 . 0 0 "[ . 1 . 2]" 1 239 1 10 LYS HA 1 40 ASP HB3 . . 5.500 3.146 2.277 3.665 . 0 0 "[ . 1 . 2]" 1 240 1 10 LYS QB 1 11 ALA H . . 3.800 3.271 2.934 3.488 . 0 0 "[ . 1 . 2]" 1 241 1 10 LYS QB 1 12 ALA H . . 3.720 2.758 2.568 2.957 . 0 0 "[ . 1 . 2]" 1 242 1 10 LYS QB 1 13 ALA H . . 3.600 2.716 2.536 2.896 . 0 0 "[ . 1 . 2]" 1 243 1 10 LYS HB2 1 13 ALA H . . 4.170 3.655 3.043 3.980 . 0 0 "[ . 1 . 2]" 1 244 1 10 LYS HB3 1 12 ALA H . . 3.970 2.789 2.589 2.991 . 0 0 "[ . 1 . 2]" 1 245 1 10 LYS HB3 1 13 ALA H . . 3.860 2.857 2.572 3.527 . 0 0 "[ . 1 . 2]" 1 246 1 10 LYS QD 1 11 ALA H . . 5.340 4.034 2.436 4.815 . 0 0 "[ . 1 . 2]" 1 247 1 10 LYS QD 1 40 ASP HA . . 5.340 4.917 3.853 5.342 0.002 3 0 "[ . 1 . 2]" 1 248 1 10 LYS QD 1 40 ASP HB2 . . 5.340 4.731 3.979 5.116 . 0 0 "[ . 1 . 2]" 1 249 1 10 LYS QD 1 40 ASP QB . . 5.180 3.604 2.818 4.009 . 0 0 "[ . 1 . 2]" 1 250 1 10 LYS QD 1 40 ASP HB3 . . 5.340 3.744 2.882 4.242 . 0 0 "[ . 1 . 2]" 1 251 1 10 LYS QE 1 10 LYS QG . . 2.950 2.153 1.991 2.316 . 0 0 "[ . 1 . 2]" 1 252 1 10 LYS QE 1 12 ALA H . . 5.500 5.152 4.377 5.501 0.001 19 0 "[ . 1 . 2]" 1 253 1 10 LYS QG 1 40 ASP QB . . 4.890 3.720 2.778 4.429 . 0 0 "[ . 1 . 2]" 1 254 1 11 ALA H 1 11 ALA MB . . 3.080 2.160 2.034 2.234 . 0 0 "[ . 1 . 2]" 1 255 1 11 ALA H 1 12 ALA HA . . 5.500 5.359 5.310 5.381 . 0 0 "[ . 1 . 2]" 1 256 1 11 ALA H 1 13 ALA H . . 5.060 4.320 4.228 4.451 . 0 0 "[ . 1 . 2]" 1 257 1 11 ALA H 1 35 ILE MD . . 5.500 5.103 4.786 5.505 0.005 18 0 "[ . 1 . 2]" 1 258 1 11 ALA H 1 40 ASP HA . . 3.620 2.853 2.427 3.201 . 0 0 "[ . 1 . 2]" 1 259 1 11 ALA H 1 40 ASP HB2 . . 5.500 4.665 4.160 5.138 . 0 0 "[ . 1 . 2]" 1 260 1 11 ALA H 1 40 ASP QB . . 4.750 3.745 3.291 4.173 . 0 0 "[ . 1 . 2]" 1 261 1 11 ALA H 1 40 ASP HB3 . . 5.500 3.948 3.418 4.415 . 0 0 "[ . 1 . 2]" 1 262 1 11 ALA H 1 41 VAL MG2 . . 4.490 3.951 3.675 4.156 . 0 0 "[ . 1 . 2]" 1 263 1 11 ALA HA 1 13 ALA H . . 5.060 4.061 4.005 4.211 . 0 0 "[ . 1 . 2]" 1 264 1 11 ALA HA 1 14 TYR H . . 4.070 3.303 3.243 3.321 . 0 0 "[ . 1 . 2]" 1 265 1 11 ALA HA 1 14 TYR HB2 . . 3.960 3.023 2.893 3.171 . 0 0 "[ . 1 . 2]" 1 266 1 11 ALA HA 1 14 TYR HB3 . . 3.740 3.649 3.063 3.756 0.016 1 0 "[ . 1 . 2]" 1 267 1 11 ALA HA 1 15 ASN H . . 4.880 4.638 4.207 4.794 . 0 0 "[ . 1 . 2]" 1 268 1 11 ALA HA 1 35 ILE H . . 5.500 5.230 4.631 5.499 . 0 0 "[ . 1 . 2]" 1 269 1 11 ALA HA 1 35 ILE HB . . 4.210 3.318 2.848 3.688 . 0 0 "[ . 1 . 2]" 1 270 1 11 ALA HA 1 35 ILE MD . . 4.150 3.086 2.738 3.384 . 0 0 "[ . 1 . 2]" 1 271 1 11 ALA HA 1 35 ILE MG . . 4.560 3.745 3.095 4.574 0.014 12 0 "[ . 1 . 2]" 1 272 1 11 ALA HA 1 41 VAL H . . 5.340 4.199 3.950 4.450 . 0 0 "[ . 1 . 2]" 1 273 1 11 ALA HA 1 41 VAL MG1 . . 4.260 4.187 3.877 4.276 0.016 12 0 "[ . 1 . 2]" 1 274 1 11 ALA HA 1 41 VAL MG2 . . 3.690 2.817 2.514 2.991 . 0 0 "[ . 1 . 2]" 1 275 1 11 ALA MB 1 12 ALA HA . . 3.880 3.783 3.706 3.837 . 0 0 "[ . 1 . 2]" 1 276 1 11 ALA MB 1 15 ASN QD . . 4.540 3.409 3.025 3.863 . 0 0 "[ . 1 . 2]" 1 277 1 11 ALA MB 1 35 ILE MG . . 3.090 2.336 1.900 2.896 . 0 0 "[ . 1 . 2]" 1 278 1 11 ALA MB 1 36 HIS HA . . 5.500 3.744 2.886 4.353 . 0 0 "[ . 1 . 2]" 1 279 1 11 ALA MB 1 37 GLY H . . 5.490 4.907 4.349 5.486 . 0 0 "[ . 1 . 2]" 1 280 1 11 ALA MB 1 40 ASP HA . . 4.210 3.226 2.897 3.618 . 0 0 "[ . 1 . 2]" 1 281 1 11 ALA MB 1 41 VAL H . . 5.500 4.005 3.620 4.228 . 0 0 "[ . 1 . 2]" 1 282 1 11 ALA MB 1 41 VAL MG1 . . 4.150 3.584 3.153 3.893 . 0 0 "[ . 1 . 2]" 1 283 1 11 ALA MB 1 41 VAL MG2 . . 4.080 3.227 2.918 3.581 . 0 0 "[ . 1 . 2]" 1 284 1 12 ALA H 1 12 ALA MB . . 3.010 2.135 2.024 2.233 . 0 0 "[ . 1 . 2]" 1 285 1 12 ALA H 1 13 ALA H . . 3.570 2.770 2.750 2.807 . 0 0 "[ . 1 . 2]" 1 286 1 12 ALA H 1 14 TYR H . . 5.000 4.248 4.180 4.338 . 0 0 "[ . 1 . 2]" 1 287 1 12 ALA H 1 15 ASN QB . . 5.500 5.405 5.183 5.506 0.006 9 0 "[ . 1 . 2]" 1 288 1 12 ALA H 1 15 ASN QD . . 5.500 4.914 4.303 5.525 0.025 12 0 "[ . 1 . 2]" 1 289 1 12 ALA HA 1 15 ASN H . . 4.020 3.608 3.554 3.688 . 0 0 "[ . 1 . 2]" 1 290 1 12 ALA HA 1 15 ASN QB . . 3.670 3.054 2.951 3.166 . 0 0 "[ . 1 . 2]" 1 291 1 12 ALA HA 1 15 ASN QD . . 4.290 3.467 2.877 4.072 . 0 0 "[ . 1 . 2]" 1 292 1 12 ALA MB 1 13 ALA H . . 3.470 2.695 2.533 2.786 . 0 0 "[ . 1 . 2]" 1 293 1 12 ALA MB 1 15 ASN H . . 5.240 4.795 4.766 4.842 . 0 0 "[ . 1 . 2]" 1 294 1 12 ALA MB 1 15 ASN QB . . 5.360 4.234 4.157 4.367 . 0 0 "[ . 1 . 2]" 1 295 1 12 ALA MB 1 15 ASN QD . . 5.460 4.772 4.291 5.114 . 0 0 "[ . 1 . 2]" 1 296 1 13 ALA H 1 13 ALA MB . . 2.940 2.214 2.046 2.237 . 0 0 "[ . 1 . 2]" 1 297 1 13 ALA H 1 14 TYR H . . 3.290 2.633 2.612 2.660 . 0 0 "[ . 1 . 2]" 1 298 1 13 ALA H 1 14 TYR HB2 . . 5.000 4.679 4.614 4.869 . 0 0 "[ . 1 . 2]" 1 299 1 13 ALA H 1 14 TYR HB3 . . 5.330 5.225 5.027 5.312 . 0 0 "[ . 1 . 2]" 1 300 1 13 ALA H 1 16 GLN H . . 5.460 4.781 4.581 4.915 . 0 0 "[ . 1 . 2]" 1 301 1 13 ALA HA 1 16 GLN H . . 3.890 3.499 3.396 3.604 . 0 0 "[ . 1 . 2]" 1 302 1 13 ALA HA 1 16 GLN QB . . 3.540 2.562 2.434 2.761 . 0 0 "[ . 1 . 2]" 1 303 1 13 ALA MB 1 14 TYR H . . 3.240 2.664 2.543 2.751 . 0 0 "[ . 1 . 2]" 1 304 1 13 ALA MB 1 14 TYR HB2 . . 4.430 4.060 3.990 4.180 . 0 0 "[ . 1 . 2]" 1 305 1 13 ALA MB 1 88 MET H . . 4.240 3.533 3.124 4.080 . 0 0 "[ . 1 . 2]" 1 306 1 13 ALA MB 1 88 MET HA . . 2.910 2.432 1.919 2.920 0.010 17 0 "[ . 1 . 2]" 1 307 1 13 ALA MB 1 88 MET HG3 . . 5.060 2.913 2.299 3.357 . 0 0 "[ . 1 . 2]" 1 308 1 14 TYR H 1 14 TYR HB2 . . 3.530 2.267 2.229 2.419 . 0 0 "[ . 1 . 2]" 1 309 1 14 TYR H 1 14 TYR HB3 . . 3.400 2.834 2.654 2.891 . 0 0 "[ . 1 . 2]" 1 310 1 14 TYR H 1 15 ASN H . . 3.580 2.760 2.706 2.841 . 0 0 "[ . 1 . 2]" 1 311 1 14 TYR H 1 35 ILE MD . . 5.280 4.630 4.176 4.965 . 0 0 "[ . 1 . 2]" 1 312 1 14 TYR H 1 49 LEU QD . . 5.440 5.262 5.163 5.417 . 0 0 "[ . 1 . 2]" 1 313 1 14 TYR H 1 88 MET HG3 . . 5.500 5.206 4.895 5.441 . 0 0 "[ . 1 . 2]" 1 314 1 14 TYR HA 1 17 ALA MB . . 3.500 2.571 2.468 2.697 . 0 0 "[ . 1 . 2]" 1 315 1 14 TYR HA 1 88 MET HG2 . . 4.100 3.850 3.148 4.071 . 0 0 "[ . 1 . 2]" 1 316 1 14 TYR HB2 1 15 ASN H . . 4.090 3.510 3.425 3.680 . 0 0 "[ . 1 . 2]" 1 317 1 14 TYR HB2 1 35 ILE MD . . 4.150 2.896 2.572 3.277 . 0 0 "[ . 1 . 2]" 1 318 1 14 TYR HB2 1 41 VAL MG2 . . 4.180 3.507 3.317 3.687 . 0 0 "[ . 1 . 2]" 1 319 1 14 TYR HB2 1 46 GLY HA3 . . 5.500 5.356 4.701 5.511 0.011 3 0 "[ . 1 . 2]" 1 320 1 14 TYR HB3 1 15 ASN H . . 3.730 2.363 2.339 2.419 . 0 0 "[ . 1 . 2]" 1 321 1 14 TYR HB3 1 34 PRO QB . . 5.340 3.953 3.461 4.369 . 0 0 "[ . 1 . 2]" 1 322 1 14 TYR HB3 1 35 ILE HB . . 5.500 3.429 3.025 4.262 . 0 0 "[ . 1 . 2]" 1 323 1 14 TYR HB3 1 35 ILE MD . . 4.180 3.175 2.223 3.352 . 0 0 "[ . 1 . 2]" 1 324 1 14 TYR QD 1 15 ASN HA . . 4.170 4.049 3.798 4.212 0.042 10 0 "[ . 1 . 2]" 1 325 1 14 TYR QD 1 34 PRO HA . . 4.210 2.142 1.992 2.352 . 0 0 "[ . 1 . 2]" 1 326 1 14 TYR QD 1 34 PRO QB . . 4.600 3.051 2.458 3.255 . 0 0 "[ . 1 . 2]" 1 327 1 14 TYR QD 1 34 PRO HG2 . . 5.500 5.398 4.979 5.582 0.082 12 0 "[ . 1 . 2]" 1 328 1 14 TYR QD 1 49 LEU QD . . 4.850 3.016 2.959 3.127 . 0 0 "[ . 1 . 2]" 1 329 1 14 TYR QD 1 49 LEU HG . . 5.500 5.297 5.040 5.643 0.143 1 0 "[ . 1 . 2]" 1 330 1 14 TYR QD 1 88 MET ME . . 4.600 4.420 3.829 4.614 0.014 6 0 "[ . 1 . 2]" 1 331 1 14 TYR QD 1 90 ILE MD . . 5.500 5.319 4.912 5.427 . 0 0 "[ . 1 . 2]" 1 332 1 14 TYR QE 1 34 PRO HA . . 4.110 2.487 2.113 2.728 . 0 0 "[ . 1 . 2]" 1 333 1 14 TYR QE 1 34 PRO QB . . 5.310 4.175 3.666 4.446 . 0 0 "[ . 1 . 2]" 1 334 1 14 TYR QE 1 35 ILE H . . 5.370 4.299 3.928 4.888 . 0 0 "[ . 1 . 2]" 1 335 1 14 TYR QE 1 46 GLY HA2 . . 4.900 2.043 1.987 2.417 . 0 0 "[ . 1 . 2]" 1 336 1 14 TYR QE 1 46 GLY HA3 . . 5.210 3.782 3.725 4.157 . 0 0 "[ . 1 . 2]" 1 337 1 14 TYR QE 1 49 LEU QB . . 3.930 2.205 1.971 2.326 . 0 0 "[ . 1 . 2]" 1 338 1 14 TYR QE 1 49 LEU MD1 . . 4.730 3.547 2.536 4.201 . 0 0 "[ . 1 . 2]" 1 339 1 14 TYR QE 1 49 LEU QD . . 3.880 2.755 2.511 2.924 . 0 0 "[ . 1 . 2]" 1 340 1 14 TYR QE 1 49 LEU MD2 . . 4.730 3.431 2.789 4.539 . 0 0 "[ . 1 . 2]" 1 341 1 14 TYR QE 1 88 MET ME . . 5.500 4.825 4.260 5.130 . 0 0 "[ . 1 . 2]" 1 342 1 14 TYR QE 1 90 ILE MD . . 5.500 5.531 5.506 5.559 0.059 1 0 "[ . 1 . 2]" 1 343 1 15 ASN H 1 15 ASN QB . . 3.400 2.275 2.108 2.496 . 0 0 "[ . 1 . 2]" 1 344 1 15 ASN H 1 15 ASN QD . . 4.500 2.181 1.889 3.900 . 0 0 "[ . 1 . 2]" 1 345 1 15 ASN H 1 16 GLN H . . 3.890 2.641 2.539 2.681 . 0 0 "[ . 1 . 2]" 1 346 1 15 ASN H 1 16 GLN HB2 . . 5.500 4.927 4.654 5.173 . 0 0 "[ . 1 . 2]" 1 347 1 15 ASN H 1 16 GLN QB . . 5.340 4.445 4.325 4.667 . 0 0 "[ . 1 . 2]" 1 348 1 15 ASN H 1 17 ALA MB . . 5.500 4.766 4.738 4.842 . 0 0 "[ . 1 . 2]" 1 349 1 15 ASN H 1 18 ARG HG2 . . 4.690 4.593 4.479 4.693 0.003 14 0 "[ . 1 . 2]" 1 350 1 15 ASN H 1 34 PRO HA . . 5.500 5.374 5.171 5.533 0.033 10 0 "[ . 1 . 2]" 1 351 1 15 ASN H 1 34 PRO QB . . 5.340 4.035 3.610 4.270 . 0 0 "[ . 1 . 2]" 1 352 1 15 ASN H 1 35 ILE MD . . 5.200 5.079 4.194 5.207 0.007 6 0 "[ . 1 . 2]" 1 353 1 15 ASN HA 1 15 ASN QD . . 4.460 3.293 3.118 4.007 . 0 0 "[ . 1 . 2]" 1 354 1 15 ASN HA 1 18 ARG HB2 . . 5.000 4.930 4.774 5.007 0.007 17 0 "[ . 1 . 2]" 1 355 1 15 ASN HA 1 18 ARG HB3 . . 4.730 4.647 4.475 4.731 0.001 15 0 "[ . 1 . 2]" 1 356 1 15 ASN HA 1 18 ARG QD . . 4.400 2.489 2.332 2.873 . 0 0 "[ . 1 . 2]" 1 357 1 15 ASN HA 1 18 ARG HE . . 5.310 4.243 2.990 5.177 . 0 0 "[ . 1 . 2]" 1 358 1 15 ASN HA 1 18 ARG HG2 . . 3.750 2.512 2.371 2.602 . 0 0 "[ . 1 . 2]" 1 359 1 15 ASN HA 1 34 PRO QB . . 3.950 2.643 2.352 2.845 . 0 0 "[ . 1 . 2]" 1 360 1 15 ASN QB 1 16 GLN H . . 3.760 2.764 2.732 2.827 . 0 0 "[ . 1 . 2]" 1 361 1 15 ASN QB 1 18 ARG HG3 . . 4.350 4.204 4.039 4.259 . 0 0 "[ . 1 . 2]" 1 362 1 15 ASN QB 1 19 SER H . . 5.500 4.819 4.764 4.863 . 0 0 "[ . 1 . 2]" 1 363 1 15 ASN QB 1 19 SER QB . . 5.340 4.025 3.959 4.106 . 0 0 "[ . 1 . 2]" 1 364 1 15 ASN QB 1 19 SER HB3 . . 5.500 4.814 4.510 5.093 . 0 0 "[ . 1 . 2]" 1 365 1 15 ASN QB 1 34 PRO HB2 . . 5.500 3.929 3.471 4.134 . 0 0 "[ . 1 . 2]" 1 366 1 15 ASN QB 1 34 PRO QB . . 5.340 3.554 3.094 3.719 . 0 0 "[ . 1 . 2]" 1 367 1 15 ASN QB 1 34 PRO HB3 . . 5.500 4.065 3.475 4.313 . 0 0 "[ . 1 . 2]" 1 368 1 15 ASN QB 1 35 ILE H . . 5.400 4.638 4.411 4.973 . 0 0 "[ . 1 . 2]" 1 369 1 15 ASN QD 1 34 PRO HA . . 4.610 4.086 3.790 4.676 0.066 12 0 "[ . 1 . 2]" 1 370 1 15 ASN QD 1 34 PRO HB2 . . 4.510 2.118 1.984 2.489 . 0 0 "[ . 1 . 2]" 1 371 1 15 ASN QD 1 34 PRO QB . . 3.960 2.099 1.970 2.456 . 0 0 "[ . 1 . 2]" 1 372 1 15 ASN QD 1 34 PRO HB3 . . 4.510 3.424 3.193 3.772 . 0 0 "[ . 1 . 2]" 1 373 1 15 ASN QD 1 35 ILE H . . 3.900 2.152 1.866 2.782 . 0 0 "[ . 1 . 2]" 1 374 1 15 ASN QD 1 35 ILE HA . . 5.410 4.079 3.881 4.309 . 0 0 "[ . 1 . 2]" 1 375 1 15 ASN QD 1 35 ILE HB . . 4.070 3.353 2.906 4.081 0.011 12 0 "[ . 1 . 2]" 1 376 1 15 ASN QD 1 35 ILE MD . . 5.070 4.425 3.437 5.069 . 0 0 "[ . 1 . 2]" 1 377 1 15 ASN QD 1 35 ILE QG . . 5.100 4.246 3.833 5.027 . 0 0 "[ . 1 . 2]" 1 378 1 15 ASN QD 1 35 ILE MG . . 5.090 4.210 3.905 4.669 . 0 0 "[ . 1 . 2]" 1 379 1 15 ASN QD 1 36 HIS HA . . 5.470 3.896 3.473 4.194 . 0 0 "[ . 1 . 2]" 1 380 1 16 GLN H 1 16 GLN HB2 . . 3.600 2.504 2.248 2.695 . 0 0 "[ . 1 . 2]" 1 381 1 16 GLN H 1 16 GLN QB . . 3.010 2.258 2.175 2.354 . 0 0 "[ . 1 . 2]" 1 382 1 16 GLN H 1 16 GLN HB3 . . 3.620 2.727 2.407 3.585 . 0 0 "[ . 1 . 2]" 1 383 1 16 GLN H 1 16 GLN QE . . 5.340 4.753 3.865 5.331 . 0 0 "[ . 1 . 2]" 1 384 1 16 GLN H 1 16 GLN HG2 . . 4.740 4.222 2.504 4.630 . 0 0 "[ . 1 . 2]" 1 385 1 16 GLN H 1 16 GLN QG . . 4.170 3.767 2.455 4.066 . 0 0 "[ . 1 . 2]" 1 386 1 16 GLN H 1 16 GLN HG3 . . 4.740 4.341 3.475 4.603 . 0 0 "[ . 1 . 2]" 1 387 1 16 GLN H 1 17 ALA H . . 3.420 2.481 2.472 2.497 . 0 0 "[ . 1 . 2]" 1 388 1 16 GLN H 1 17 ALA HA . . 5.090 5.115 5.103 5.126 0.036 6 0 "[ . 1 . 2]" 1 389 1 16 GLN H 1 17 ALA MB . . 4.400 4.134 4.095 4.164 . 0 0 "[ . 1 . 2]" 1 390 1 16 GLN H 1 18 ARG HG3 . . 5.180 4.457 4.323 4.912 . 0 0 "[ . 1 . 2]" 1 391 1 16 GLN H 1 87 THR MG . . 4.230 4.205 4.072 4.260 0.030 14 0 "[ . 1 . 2]" 1 392 1 16 GLN HA 1 16 GLN QE . . 5.160 2.616 1.936 3.219 . 0 0 "[ . 1 . 2]" 1 393 1 16 GLN HA 1 16 GLN QG . . 3.610 2.809 2.386 3.080 . 0 0 "[ . 1 . 2]" 1 394 1 16 GLN QB 1 17 ALA H . . 3.500 2.723 2.706 2.752 . 0 0 "[ . 1 . 2]" 1 395 1 16 GLN QB 1 87 THR MG . . 3.280 2.220 1.992 2.450 . 0 0 "[ . 1 . 2]" 1 396 1 16 GLN HB2 1 17 ALA H . . 4.040 3.731 2.791 4.032 . 0 0 "[ . 1 . 2]" 1 397 1 16 GLN HB2 1 87 THR MG . . 3.770 3.190 2.163 3.714 . 0 0 "[ . 1 . 2]" 1 398 1 16 GLN HB3 1 17 ALA H . . 4.010 2.917 2.752 3.704 . 0 0 "[ . 1 . 2]" 1 399 1 16 GLN HB3 1 87 THR MG . . 3.740 2.348 2.011 3.213 . 0 0 "[ . 1 . 2]" 1 400 1 16 GLN QE 1 19 SER QB . . 4.760 3.100 2.826 3.621 . 0 0 "[ . 1 . 2]" 1 401 1 16 GLN QE 1 87 THR MG . . 4.930 4.802 4.384 4.947 0.017 6 0 "[ . 1 . 2]" 1 402 1 16 GLN HE21 1 19 SER HB2 . . 5.500 4.755 3.859 5.491 . 0 0 "[ . 1 . 2]" 1 403 1 16 GLN HE21 1 19 SER HB3 . . 5.500 3.529 2.930 4.483 . 0 0 "[ . 1 . 2]" 1 404 1 16 GLN HE22 1 19 SER HB2 . . 5.500 4.944 4.236 5.500 . 0 0 "[ . 1 . 2]" 1 405 1 16 GLN HE22 1 19 SER HB3 . . 5.500 3.863 3.369 4.698 . 0 0 "[ . 1 . 2]" 1 406 1 16 GLN QG 1 17 ALA H . . 4.570 4.001 3.649 4.577 0.007 15 0 "[ . 1 . 2]" 1 407 1 16 GLN HG2 1 17 ALA H . . 5.150 4.849 4.475 5.174 0.024 19 0 "[ . 1 . 2]" 1 408 1 16 GLN HG2 1 87 THR MG . . 4.060 3.205 2.225 4.080 0.020 19 0 "[ . 1 . 2]" 1 409 1 16 GLN HG3 1 17 ALA H . . 5.150 4.347 3.785 5.131 . 0 0 "[ . 1 . 2]" 1 410 1 16 GLN HG3 1 87 THR MG . . 4.060 3.168 2.733 3.989 . 0 0 "[ . 1 . 2]" 1 411 1 17 ALA H 1 17 ALA MB . . 3.210 2.168 2.107 2.225 . 0 0 "[ . 1 . 2]" 1 412 1 17 ALA H 1 87 THR MG . . 4.270 4.069 3.887 4.220 . 0 0 "[ . 1 . 2]" 1 413 1 17 ALA H 1 88 MET ME . . 5.180 4.543 4.356 4.816 . 0 0 "[ . 1 . 2]" 1 414 1 17 ALA H 1 88 MET HG3 . . 5.500 4.909 4.514 5.244 . 0 0 "[ . 1 . 2]" 1 415 1 17 ALA MB 1 18 ARG H . . 3.740 2.454 2.375 2.510 . 0 0 "[ . 1 . 2]" 1 416 1 17 ALA MB 1 18 ARG HA . . 4.240 3.789 3.752 3.814 . 0 0 "[ . 1 . 2]" 1 417 1 17 ALA MB 1 19 SER H . . 4.740 4.331 4.310 4.351 . 0 0 "[ . 1 . 2]" 1 418 1 17 ALA MB 1 49 LEU QD . . 3.290 2.156 1.891 2.283 . 0 0 "[ . 1 . 2]" 1 419 1 17 ALA MB 1 88 MET H . . 4.680 4.239 3.749 4.504 . 0 0 "[ . 1 . 2]" 1 420 1 17 ALA MB 1 88 MET HG3 . . 3.470 2.797 2.483 3.053 . 0 0 "[ . 1 . 2]" 1 421 1 18 ARG H 1 18 ARG HB2 . . 4.020 3.578 3.571 3.585 . 0 0 "[ . 1 . 2]" 1 422 1 18 ARG H 1 18 ARG HB3 . . 3.960 2.751 2.707 2.794 . 0 0 "[ . 1 . 2]" 1 423 1 18 ARG H 1 18 ARG QD . . 4.580 3.866 3.819 4.027 . 0 0 "[ . 1 . 2]" 1 424 1 18 ARG H 1 18 ARG HG2 . . 3.730 2.654 2.108 2.865 . 0 0 "[ . 1 . 2]" 1 425 1 18 ARG H 1 18 ARG HG3 . . 4.890 2.069 1.996 2.577 . 0 0 "[ . 1 . 2]" 1 426 1 18 ARG H 1 19 SER H . . 3.840 2.543 2.535 2.564 . 0 0 "[ . 1 . 2]" 1 427 1 18 ARG H 1 19 SER HB2 . . 5.500 5.186 4.947 5.503 0.003 18 0 "[ . 1 . 2]" 1 428 1 18 ARG H 1 19 SER QB . . 4.830 4.260 4.199 4.310 . 0 0 "[ . 1 . 2]" 1 429 1 18 ARG H 1 19 SER HB3 . . 5.500 4.549 4.355 4.743 . 0 0 "[ . 1 . 2]" 1 430 1 18 ARG H 1 49 LEU MD1 . . 4.690 3.859 2.721 4.110 . 0 0 "[ . 1 . 2]" 1 431 1 18 ARG H 1 49 LEU QD . . 3.890 2.256 2.145 2.466 . 0 0 "[ . 1 . 2]" 1 432 1 18 ARG H 1 49 LEU MD2 . . 4.690 2.289 2.153 2.820 . 0 0 "[ . 1 . 2]" 1 433 1 18 ARG H 1 49 LEU HG . . 5.410 4.603 4.085 5.270 . 0 0 "[ . 1 . 2]" 1 434 1 18 ARG HA 1 18 ARG HE . . 5.340 4.933 4.751 5.314 . 0 0 "[ . 1 . 2]" 1 435 1 18 ARG HA 1 21 LEU H . . 4.490 3.436 3.389 3.474 . 0 0 "[ . 1 . 2]" 1 436 1 18 ARG HA 1 21 LEU HB2 . . 4.490 2.986 2.899 3.069 . 0 0 "[ . 1 . 2]" 1 437 1 18 ARG HA 1 21 LEU QB . . 4.260 2.944 2.863 3.022 . 0 0 "[ . 1 . 2]" 1 438 1 18 ARG HA 1 21 LEU MD1 . . 3.510 1.906 1.894 1.943 . 0 0 "[ . 1 . 2]" 1 439 1 18 ARG HA 1 22 ALA H . . 4.700 4.343 4.277 4.461 . 0 0 "[ . 1 . 2]" 1 440 1 18 ARG HA 1 49 LEU MD1 . . 3.920 3.208 2.788 3.801 . 0 0 "[ . 1 . 2]" 1 441 1 18 ARG HA 1 49 LEU QD . . 3.220 2.359 1.972 2.676 . 0 0 "[ . 1 . 2]" 1 442 1 18 ARG HA 1 49 LEU MD2 . . 3.920 2.564 1.979 3.025 . 0 0 "[ . 1 . 2]" 1 443 1 18 ARG HA 1 49 LEU HG . . 5.090 4.033 3.822 4.299 . 0 0 "[ . 1 . 2]" 1 444 1 18 ARG HB2 1 18 ARG HE . . 4.510 2.694 2.340 3.760 . 0 0 "[ . 1 . 2]" 1 445 1 18 ARG HB2 1 19 SER H . . 4.760 3.708 3.668 3.740 . 0 0 "[ . 1 . 2]" 1 446 1 18 ARG HB2 1 19 SER QB . . 5.340 5.095 5.047 5.131 . 0 0 "[ . 1 . 2]" 1 447 1 18 ARG HB2 1 49 LEU MD1 . . 6.300 3.335 3.063 3.470 . 0 0 "[ . 1 . 2]" 1 448 1 18 ARG HB2 1 49 LEU MD2 . . 6.300 3.315 3.184 3.572 . 0 0 "[ . 1 . 2]" 1 449 1 18 ARG HB3 1 18 ARG HE . . 4.700 3.121 2.854 4.584 . 0 0 "[ . 1 . 2]" 1 450 1 18 ARG HB3 1 19 SER H . . 4.760 4.086 4.063 4.107 . 0 0 "[ . 1 . 2]" 1 451 1 18 ARG HB3 1 49 LEU HA . . 5.500 5.599 5.523 5.650 0.150 17 0 "[ . 1 . 2]" 1 452 1 18 ARG HB3 1 49 LEU MD1 . . 6.300 2.161 1.899 2.372 . 0 0 "[ . 1 . 2]" 1 453 1 18 ARG HB3 1 49 LEU MD2 . . 6.300 1.956 1.866 2.401 . 0 0 "[ . 1 . 2]" 1 454 1 18 ARG QD 1 19 SER H . . 5.340 3.229 2.873 4.150 . 0 0 "[ . 1 . 2]" 1 455 1 18 ARG QD 1 19 SER HB2 . . 5.340 3.859 3.382 5.254 . 0 0 "[ . 1 . 2]" 1 456 1 18 ARG QD 1 19 SER QB . . 5.180 3.658 3.261 4.721 . 0 0 "[ . 1 . 2]" 1 457 1 18 ARG QD 1 19 SER HB3 . . 5.340 4.621 4.118 5.363 0.023 8 0 "[ . 1 . 2]" 1 458 1 18 ARG QD 1 34 PRO HA . . 4.520 4.174 3.335 4.478 . 0 0 "[ . 1 . 2]" 1 459 1 18 ARG QD 1 34 PRO QB . . 5.180 2.378 1.932 2.508 . 0 0 "[ . 1 . 2]" 1 460 1 18 ARG QD 1 35 ILE H . . 5.340 5.260 4.754 5.363 0.023 16 0 "[ . 1 . 2]" 1 461 1 18 ARG HE 1 34 PRO QB . . 5.220 3.297 2.967 4.313 . 0 0 "[ . 1 . 2]" 1 462 1 18 ARG HE 1 34 PRO HD2 . . 5.500 4.922 4.483 5.505 0.005 17 0 "[ . 1 . 2]" 1 463 1 18 ARG HE 1 34 PRO QD . . 4.720 3.234 2.710 4.167 . 0 0 "[ . 1 . 2]" 1 464 1 18 ARG HE 1 34 PRO HD3 . . 5.500 3.285 2.732 4.315 . 0 0 "[ . 1 . 2]" 1 465 1 18 ARG HE 1 34 PRO HG2 . . 5.500 5.369 4.991 5.518 0.018 16 0 "[ . 1 . 2]" 1 466 1 18 ARG HE 1 34 PRO QG . . 4.550 4.011 3.210 4.304 . 0 0 "[ . 1 . 2]" 1 467 1 18 ARG HE 1 34 PRO HG3 . . 4.860 4.149 3.250 4.495 . 0 0 "[ . 1 . 2]" 1 468 1 18 ARG HE 1 49 LEU QD . . 5.440 3.502 2.893 4.983 . 0 0 "[ . 1 . 2]" 1 469 1 18 ARG HG2 1 19 SER H . . 4.090 3.712 3.279 3.785 . 0 0 "[ . 1 . 2]" 1 470 1 18 ARG HG2 1 19 SER QB . . 5.180 5.005 4.662 5.068 . 0 0 "[ . 1 . 2]" 1 471 1 18 ARG HG2 1 49 LEU QD . . 4.690 2.616 2.391 2.721 . 0 0 "[ . 1 . 2]" 1 472 1 18 ARG HG3 1 18 ARG HH11 . . 4.900 4.208 2.042 4.443 . 0 0 "[ . 1 . 2]" 1 473 1 18 ARG HG3 1 19 SER H . . 5.130 2.021 1.956 2.053 . 0 0 "[ . 1 . 2]" 1 474 1 18 ARG HG3 1 19 SER HB2 . . 4.460 3.934 3.698 4.153 . 0 0 "[ . 1 . 2]" 1 475 1 18 ARG HG3 1 19 SER QB . . 4.370 3.518 3.381 3.577 . 0 0 "[ . 1 . 2]" 1 476 1 18 ARG HH11 1 34 PRO QB . . 5.160 4.229 3.712 4.481 . 0 0 "[ . 1 . 2]" 1 477 1 18 ARG HH11 1 34 PRO HD2 . . 5.500 5.217 3.356 5.503 0.003 19 0 "[ . 1 . 2]" 1 478 1 18 ARG HH11 1 34 PRO QD . . 4.720 3.688 2.122 4.152 . 0 0 "[ . 1 . 2]" 1 479 1 18 ARG HH11 1 34 PRO HD3 . . 5.480 3.774 2.146 4.296 . 0 0 "[ . 1 . 2]" 1 480 1 18 ARG HH11 1 34 PRO QG . . 4.930 3.686 3.104 4.035 . 0 0 "[ . 1 . 2]" 1 481 1 18 ARG HH11 1 34 PRO HG3 . . 5.340 3.749 3.168 4.115 . 0 0 "[ . 1 . 2]" 1 482 1 19 SER H 1 19 SER HB2 . . 3.700 2.796 2.580 3.074 . 0 0 "[ . 1 . 2]" 1 483 1 19 SER H 1 19 SER QB . . 3.180 2.192 2.086 2.257 . 0 0 "[ . 1 . 2]" 1 484 1 19 SER H 1 19 SER HB3 . . 3.700 2.314 2.122 2.493 . 0 0 "[ . 1 . 2]" 1 485 1 19 SER H 1 20 THR H . . 3.680 2.816 2.804 2.823 . 0 0 "[ . 1 . 2]" 1 486 1 19 SER H 1 49 LEU QD . . 5.440 4.158 4.088 4.212 . 0 0 "[ . 1 . 2]" 1 487 1 19 SER HA 1 22 ALA H . . 4.050 3.428 3.310 3.532 . 0 0 "[ . 1 . 2]" 1 488 1 19 SER HA 1 22 ALA MB . . 3.150 2.470 2.306 2.588 . 0 0 "[ . 1 . 2]" 1 489 1 19 SER QB 1 20 THR H . . 4.260 2.550 2.408 2.778 . 0 0 "[ . 1 . 2]" 1 490 1 19 SER HB3 1 20 THR H . . 4.390 2.585 2.433 2.832 . 0 0 "[ . 1 . 2]" 1 491 1 20 THR H 1 20 THR HB . . 3.280 2.682 2.616 2.838 . 0 0 "[ . 1 . 2]" 1 492 1 20 THR H 1 20 THR MG . . 3.880 3.754 3.714 3.765 . 0 0 "[ . 1 . 2]" 1 493 1 20 THR H 1 21 LEU H . . 3.950 2.765 2.736 2.787 . 0 0 "[ . 1 . 2]" 1 494 1 20 THR H 1 21 LEU HG . . 5.350 4.173 4.082 4.225 . 0 0 "[ . 1 . 2]" 1 495 1 20 THR HA 1 20 THR MG . . 3.180 2.276 2.134 2.367 . 0 0 "[ . 1 . 2]" 1 496 1 20 THR HA 1 21 LEU HG . . 5.500 5.177 5.096 5.232 . 0 0 "[ . 1 . 2]" 1 497 1 20 THR HB 1 21 LEU H . . 3.720 2.564 2.480 2.705 . 0 0 "[ . 1 . 2]" 1 498 1 20 THR HB 1 21 LEU MD1 . . 4.460 4.428 4.378 4.496 0.036 18 0 "[ . 1 . 2]" 1 499 1 20 THR HB 1 21 LEU HG . . 4.680 3.077 3.038 3.138 . 0 0 "[ . 1 . 2]" 1 500 1 20 THR MG 1 83 SER H . . 4.890 4.462 3.759 4.841 . 0 0 "[ . 1 . 2]" 1 501 1 20 THR MG 1 83 SER QB . . 3.530 2.405 1.933 2.855 . 0 0 "[ . 1 . 2]" 1 502 1 20 THR MG 1 84 ALA H . . 4.690 4.346 3.725 4.696 0.006 14 0 "[ . 1 . 2]" 1 503 1 21 LEU H 1 21 LEU HB2 . . 4.010 2.660 2.642 2.669 . 0 0 "[ . 1 . 2]" 1 504 1 21 LEU H 1 21 LEU QB . . 3.380 2.593 2.578 2.601 . 0 0 "[ . 1 . 2]" 1 505 1 21 LEU H 1 21 LEU MD1 . . 3.880 3.211 3.152 3.292 . 0 0 "[ . 1 . 2]" 1 506 1 21 LEU H 1 21 LEU MD2 . . 3.990 3.400 3.352 3.435 . 0 0 "[ . 1 . 2]" 1 507 1 21 LEU H 1 21 LEU HG . . 3.670 1.950 1.939 2.002 . 0 0 "[ . 1 . 2]" 1 508 1 21 LEU H 1 22 ALA H . . 3.720 2.582 2.470 2.639 . 0 0 "[ . 1 . 2]" 1 509 1 21 LEU H 1 49 LEU QD . . 5.370 4.830 4.559 5.073 . 0 0 "[ . 1 . 2]" 1 510 1 21 LEU HA 1 21 LEU MD1 . . 4.220 3.979 3.971 3.989 . 0 0 "[ . 1 . 2]" 1 511 1 21 LEU HA 1 21 LEU MD2 . . 3.360 2.462 2.354 2.528 . 0 0 "[ . 1 . 2]" 1 512 1 21 LEU HA 1 21 LEU HG . . 4.210 3.036 2.993 3.083 . 0 0 "[ . 1 . 2]" 1 513 1 21 LEU HA 1 23 ASP H . . 4.070 3.651 3.577 3.685 . 0 0 "[ . 1 . 2]" 1 514 1 21 LEU HA 1 24 ALA H . . 4.050 3.573 3.539 3.668 . 0 0 "[ . 1 . 2]" 1 515 1 21 LEU HA 1 24 ALA MB . . 4.460 3.843 3.692 4.124 . 0 0 "[ . 1 . 2]" 1 516 1 21 LEU HA 1 57 PHE QE . . 5.500 4.094 3.945 4.229 . 0 0 "[ . 1 . 2]" 1 517 1 21 LEU HA 1 80 ALA MB . . 4.640 3.050 2.662 3.262 . 0 0 "[ . 1 . 2]" 1 518 1 21 LEU QB 1 22 ALA H . . 3.580 2.792 2.782 2.805 . 0 0 "[ . 1 . 2]" 1 519 1 21 LEU QB 1 22 ALA HA . . 4.730 3.862 3.855 3.871 . 0 0 "[ . 1 . 2]" 1 520 1 21 LEU QB 1 24 ALA H . . 5.050 4.433 4.416 4.465 . 0 0 "[ . 1 . 2]" 1 521 1 21 LEU HB2 1 21 LEU MD1 . . 3.600 2.045 2.020 2.080 . 0 0 "[ . 1 . 2]" 1 522 1 21 LEU HB2 1 22 ALA H . . 3.770 2.850 2.839 2.863 . 0 0 "[ . 1 . 2]" 1 523 1 21 LEU HB2 1 22 ALA HA . . 5.250 4.088 4.061 4.111 . 0 0 "[ . 1 . 2]" 1 524 1 21 LEU HB2 1 26 SER HA . . 5.500 4.304 4.132 4.434 . 0 0 "[ . 1 . 2]" 1 525 1 21 LEU HB2 1 26 SER QB . . 4.180 3.439 3.289 3.606 . 0 0 "[ . 1 . 2]" 1 526 1 21 LEU HB3 1 21 LEU MD1 . . 3.600 2.593 2.557 2.615 . 0 0 "[ . 1 . 2]" 1 527 1 21 LEU HB3 1 21 LEU MD2 . . 3.600 2.187 2.145 2.258 . 0 0 "[ . 1 . 2]" 1 528 1 21 LEU HB3 1 22 ALA H . . 4.480 3.992 3.979 4.022 . 0 0 "[ . 1 . 2]" 1 529 1 21 LEU HB3 1 22 ALA HA . . 5.500 4.750 4.724 4.797 . 0 0 "[ . 1 . 2]" 1 530 1 21 LEU HB3 1 24 ALA H . . 5.190 4.753 4.727 4.788 . 0 0 "[ . 1 . 2]" 1 531 1 21 LEU HB3 1 26 SER HA . . 5.450 4.024 3.850 4.130 . 0 0 "[ . 1 . 2]" 1 532 1 21 LEU HB3 1 26 SER QB . . 4.090 4.111 4.098 4.158 0.068 17 0 "[ . 1 . 2]" 1 533 1 21 LEU HB3 1 57 PHE QD . . 5.500 5.564 5.546 5.586 0.086 17 0 "[ . 1 . 2]" 1 534 1 21 LEU MD1 1 22 ALA H . . 4.800 4.318 4.277 4.360 . 0 0 "[ . 1 . 2]" 1 535 1 21 LEU MD1 1 53 ALA H . . 5.000 3.784 3.697 3.845 . 0 0 "[ . 1 . 2]" 1 536 1 21 LEU MD1 1 53 ALA HA . . 4.650 3.881 3.805 4.010 . 0 0 "[ . 1 . 2]" 1 537 1 21 LEU MD1 1 53 ALA MB . . 3.400 1.877 1.848 1.909 . 0 0 "[ . 1 . 2]" 1 538 1 21 LEU MD1 1 57 PHE QD . . 5.500 5.458 5.375 5.514 0.014 3 0 "[ . 1 . 2]" 1 539 1 21 LEU MD2 1 22 ALA H . . 5.030 4.849 4.804 4.883 . 0 0 "[ . 1 . 2]" 1 540 1 21 LEU MD2 1 24 ALA MB . . 4.930 4.594 4.509 4.810 . 0 0 "[ . 1 . 2]" 1 541 1 21 LEU MD2 1 26 SER QB . . 5.500 5.200 5.135 5.283 . 0 0 "[ . 1 . 2]" 1 542 1 21 LEU MD2 1 53 ALA MB . . 3.000 1.820 1.781 1.880 . 0 0 "[ . 1 . 2]" 1 543 1 21 LEU MD2 1 80 ALA H . . 5.500 4.989 4.749 5.209 . 0 0 "[ . 1 . 2]" 1 544 1 21 LEU MD2 1 80 ALA MB . . 3.410 2.188 1.941 2.538 . 0 0 "[ . 1 . 2]" 1 545 1 21 LEU MD2 1 81 VAL H . . 4.200 3.726 3.505 4.005 . 0 0 "[ . 1 . 2]" 1 546 1 21 LEU MD2 1 81 VAL HA . . 3.720 2.591 2.293 2.989 . 0 0 "[ . 1 . 2]" 1 547 1 21 LEU MD2 1 84 ALA H . . 5.400 4.266 4.065 4.412 . 0 0 "[ . 1 . 2]" 1 548 1 21 LEU MD2 1 84 ALA MB . . 4.090 3.074 2.970 3.246 . 0 0 "[ . 1 . 2]" 1 549 1 22 ALA H 1 22 ALA MB . . 3.000 2.088 2.033 2.186 . 0 0 "[ . 1 . 2]" 1 550 1 22 ALA H 1 23 ASP QB . . 4.900 4.558 4.405 4.704 . 0 0 "[ . 1 . 2]" 1 551 1 22 ALA H 1 24 ALA H . . 4.750 4.429 4.412 4.484 . 0 0 "[ . 1 . 2]" 1 552 1 22 ALA H 1 26 SER QB . . 5.010 4.681 4.450 4.781 . 0 0 "[ . 1 . 2]" 1 553 1 22 ALA HA 1 24 ALA H . . 4.430 3.939 3.897 3.979 . 0 0 "[ . 1 . 2]" 1 554 1 22 ALA HA 1 25 GLY H . . 3.890 2.964 2.921 3.039 . 0 0 "[ . 1 . 2]" 1 555 1 22 ALA HA 1 26 SER H . . 4.200 3.972 3.939 4.009 . 0 0 "[ . 1 . 2]" 1 556 1 22 ALA HA 1 26 SER QB . . 3.960 3.857 3.311 3.966 0.006 13 0 "[ . 1 . 2]" 1 557 1 22 ALA MB 1 23 ASP H . . 3.410 2.894 2.841 2.952 . 0 0 "[ . 1 . 2]" 1 558 1 22 ALA MB 1 23 ASP HA . . 4.580 3.791 3.766 3.857 . 0 0 "[ . 1 . 2]" 1 559 1 22 ALA MB 1 23 ASP QB . . 4.760 4.375 4.096 4.574 . 0 0 "[ . 1 . 2]" 1 560 1 22 ALA MB 1 26 SER H . . 5.500 5.007 4.950 5.082 . 0 0 "[ . 1 . 2]" 1 561 1 23 ASP H 1 23 ASP HB2 . . 3.600 2.244 2.072 2.378 . 0 0 "[ . 1 . 2]" 1 562 1 23 ASP H 1 23 ASP QB . . 3.140 2.209 2.048 2.345 . 0 0 "[ . 1 . 2]" 1 563 1 23 ASP H 1 23 ASP HB3 . . 3.660 3.350 2.783 3.574 . 0 0 "[ . 1 . 2]" 1 564 1 23 ASP H 1 24 ALA H . . 3.480 2.704 2.698 2.718 . 0 0 "[ . 1 . 2]" 1 565 1 23 ASP H 1 24 ALA MB . . 4.720 4.502 4.449 4.580 . 0 0 "[ . 1 . 2]" 1 566 1 23 ASP H 1 25 GLY H . . 4.970 3.792 3.772 3.820 . 0 0 "[ . 1 . 2]" 1 567 1 23 ASP HA 1 25 GLY H . . 4.750 4.631 4.591 4.780 0.030 17 0 "[ . 1 . 2]" 1 568 1 23 ASP QB 1 24 ALA H . . 3.840 2.762 2.720 2.819 . 0 0 "[ . 1 . 2]" 1 569 1 23 ASP QB 1 24 ALA HA . . 4.560 4.083 4.036 4.223 . 0 0 "[ . 1 . 2]" 1 570 1 23 ASP QB 1 24 ALA MB . . 4.170 3.470 3.324 3.572 . 0 0 "[ . 1 . 2]" 1 571 1 23 ASP HB2 1 25 GLY H . . 5.500 4.965 4.700 5.488 . 0 0 "[ . 1 . 2]" 1 572 1 23 ASP HB3 1 24 ALA H . . 4.430 3.305 2.785 3.655 . 0 0 "[ . 1 . 2]" 1 573 1 23 ASP HB3 1 25 GLY H . . 5.500 5.204 4.745 5.495 . 0 0 "[ . 1 . 2]" 1 574 1 24 ALA H 1 24 ALA MB . . 3.050 2.334 2.252 2.445 . 0 0 "[ . 1 . 2]" 1 575 1 24 ALA H 1 25 GLY H . . 3.550 2.001 1.934 2.044 . 0 0 "[ . 1 . 2]" 1 576 1 24 ALA MB 1 25 GLY H . . 3.870 2.928 2.823 3.003 . 0 0 "[ . 1 . 2]" 1 577 1 24 ALA MB 1 25 GLY QA . . 4.780 3.786 3.742 3.812 . 0 0 "[ . 1 . 2]" 1 578 1 24 ALA MB 1 77 HIS HD2 . . 4.630 3.578 2.929 4.213 . 0 0 "[ . 1 . 2]" 1 579 1 25 GLY H 1 26 SER H . . 4.310 4.161 4.146 4.169 . 0 0 "[ . 1 . 2]" 1 580 1 25 GLY H 1 26 SER QB . . 5.090 5.058 4.637 5.155 0.065 6 0 "[ . 1 . 2]" 1 581 1 25 GLY QA 1 27 ARG H . . 5.340 5.098 5.062 5.239 . 0 0 "[ . 1 . 2]" 1 582 1 26 SER H 1 26 SER QB . . 3.310 3.025 2.478 3.147 . 0 0 "[ . 1 . 2]" 1 583 1 26 SER H 1 27 ARG H . . 5.230 4.243 4.222 4.312 . 0 0 "[ . 1 . 2]" 1 584 1 26 SER H 1 29 ALA MB . . 5.020 4.741 4.536 4.797 . 0 0 "[ . 1 . 2]" 1 585 1 26 SER HA 1 27 ARG H . . 3.180 2.140 2.138 2.148 . 0 0 "[ . 1 . 2]" 1 586 1 26 SER HA 1 28 THR H . . 4.440 4.320 4.276 4.331 . 0 0 "[ . 1 . 2]" 1 587 1 26 SER HA 1 29 ALA MB . . 3.890 3.655 3.530 3.910 0.020 18 0 "[ . 1 . 2]" 1 588 1 26 SER HA 1 30 ALA H . . 4.740 4.583 4.550 4.703 . 0 0 "[ . 1 . 2]" 1 589 1 26 SER QB 1 27 ARG H . . 4.650 3.405 3.374 3.539 . 0 0 "[ . 1 . 2]" 1 590 1 26 SER QB 1 28 THR H . . 4.830 4.193 4.176 4.304 . 0 0 "[ . 1 . 2]" 1 591 1 26 SER QB 1 29 ALA H . . 4.080 2.886 2.873 2.965 . 0 0 "[ . 1 . 2]" 1 592 1 26 SER QB 1 29 ALA MB . . 3.170 1.848 1.830 1.864 . 0 0 "[ . 1 . 2]" 1 593 1 26 SER QB 1 30 ALA H . . 4.840 2.468 2.395 3.372 . 0 0 "[ . 1 . 2]" 1 594 1 27 ARG H 1 27 ARG HB2 . . 4.020 2.193 2.098 2.428 . 0 0 "[ . 1 . 2]" 1 595 1 27 ARG H 1 27 ARG QB . . 3.360 2.135 2.074 2.259 . 0 0 "[ . 1 . 2]" 1 596 1 27 ARG H 1 27 ARG HB3 . . 4.020 3.132 2.690 3.461 . 0 0 "[ . 1 . 2]" 1 597 1 27 ARG H 1 27 ARG QD . . 4.770 4.082 3.025 4.577 . 0 0 "[ . 1 . 2]" 1 598 1 27 ARG H 1 27 ARG HG2 . . 4.500 4.118 3.134 4.511 0.011 15 0 "[ . 1 . 2]" 1 599 1 27 ARG H 1 27 ARG QG . . 4.200 3.658 3.034 4.016 . 0 0 "[ . 1 . 2]" 1 600 1 27 ARG H 1 27 ARG HG3 . . 4.500 4.196 3.286 4.508 0.008 18 0 "[ . 1 . 2]" 1 601 1 27 ARG H 1 28 THR H . . 3.600 2.683 2.622 2.699 . 0 0 "[ . 1 . 2]" 1 602 1 27 ARG H 1 28 THR HA . . 5.490 5.244 5.218 5.251 . 0 0 "[ . 1 . 2]" 1 603 1 27 ARG H 1 28 THR MG . . 4.900 4.165 4.075 4.217 . 0 0 "[ . 1 . 2]" 1 604 1 27 ARG H 1 29 ALA H . . 4.970 3.776 3.726 3.875 . 0 0 "[ . 1 . 2]" 1 605 1 27 ARG H 1 30 ALA H . . 5.500 4.340 4.330 4.376 . 0 0 "[ . 1 . 2]" 1 606 1 27 ARG HA 1 27 ARG QD . . 4.140 2.963 2.000 4.038 . 0 0 "[ . 1 . 2]" 1 607 1 27 ARG HA 1 27 ARG HG2 . . 3.780 2.735 2.165 3.590 . 0 0 "[ . 1 . 2]" 1 608 1 27 ARG HA 1 27 ARG QG . . 3.240 2.360 2.110 2.566 . 0 0 "[ . 1 . 2]" 1 609 1 27 ARG HA 1 27 ARG HG3 . . 3.780 2.999 2.488 3.624 . 0 0 "[ . 1 . 2]" 1 610 1 27 ARG HA 1 30 ALA H . . 4.850 4.096 4.036 4.122 . 0 0 "[ . 1 . 2]" 1 611 1 27 ARG QB 1 27 ARG QD . . 3.250 2.208 1.983 2.884 . 0 0 "[ . 1 . 2]" 1 612 1 27 ARG QB 1 27 ARG HE . . 4.860 3.676 1.936 4.394 . 0 0 "[ . 1 . 2]" 1 613 1 27 ARG QB 1 28 THR H . . 3.670 2.276 2.102 2.434 . 0 0 "[ . 1 . 2]" 1 614 1 27 ARG QB 1 28 THR HA . . 4.710 3.826 3.752 4.017 . 0 0 "[ . 1 . 2]" 1 615 1 27 ARG QB 1 28 THR MG . . 4.820 2.675 2.604 2.766 . 0 0 "[ . 1 . 2]" 1 616 1 27 ARG QB 1 29 ALA H . . 4.840 4.390 4.321 4.523 . 0 0 "[ . 1 . 2]" 1 617 1 27 ARG HB2 1 28 THR H . . 4.390 2.991 2.533 3.481 . 0 0 "[ . 1 . 2]" 1 618 1 27 ARG HB2 1 29 ALA H . . 5.500 5.122 4.787 5.519 0.019 13 0 "[ . 1 . 2]" 1 619 1 27 ARG HB3 1 28 THR H . . 4.390 2.425 2.119 2.803 . 0 0 "[ . 1 . 2]" 1 620 1 27 ARG HB3 1 29 ALA H . . 5.500 4.832 4.515 5.180 . 0 0 "[ . 1 . 2]" 1 621 1 27 ARG QG 1 28 THR H . . 4.790 4.099 3.707 4.297 . 0 0 "[ . 1 . 2]" 1 622 1 28 THR H 1 28 THR MG . . 3.550 2.156 2.126 2.192 . 0 0 "[ . 1 . 2]" 1 623 1 28 THR H 1 29 ALA H . . 3.850 2.496 2.478 2.535 . 0 0 "[ . 1 . 2]" 1 624 1 28 THR H 1 30 ALA H . . 4.890 3.886 3.843 3.914 . 0 0 "[ . 1 . 2]" 1 625 1 28 THR H 1 56 GLU QG . . 5.340 4.456 4.114 4.910 . 0 0 "[ . 1 . 2]" 1 626 1 28 THR HA 1 28 THR MG . . 2.690 2.450 2.428 2.473 . 0 0 "[ . 1 . 2]" 1 627 1 28 THR HA 1 30 ALA MB . . 5.070 4.312 4.281 4.432 . 0 0 "[ . 1 . 2]" 1 628 1 28 THR HA 1 31 LYS H . . 4.080 3.615 3.438 3.667 . 0 0 "[ . 1 . 2]" 1 629 1 28 THR HA 1 31 LYS QB . . 4.070 3.662 3.217 4.107 0.037 19 0 "[ . 1 . 2]" 1 630 1 28 THR HA 1 31 LYS QD . . 4.860 4.438 2.891 4.843 . 0 0 "[ . 1 . 2]" 1 631 1 28 THR HB 1 29 ALA H . . 3.830 3.828 3.751 3.874 0.044 4 0 "[ . 1 . 2]" 1 632 1 28 THR MG 1 56 GLU H . . 4.720 4.769 4.737 4.795 0.075 17 0 "[ . 1 . 2]" 1 633 1 28 THR MG 1 56 GLU HB2 . . 5.500 3.735 3.478 3.997 . 0 0 "[ . 1 . 2]" 1 634 1 28 THR MG 1 56 GLU QB . . 4.760 3.604 3.387 3.813 . 0 0 "[ . 1 . 2]" 1 635 1 28 THR MG 1 56 GLU HB3 . . 5.500 4.750 4.549 4.981 . 0 0 "[ . 1 . 2]" 1 636 1 28 THR MG 1 56 GLU QG . . 5.340 4.614 4.200 4.965 . 0 0 "[ . 1 . 2]" 1 637 1 29 ALA H 1 29 ALA MB . . 3.200 2.032 2.023 2.050 . 0 0 "[ . 1 . 2]" 1 638 1 29 ALA H 1 30 ALA H . . 3.670 2.686 2.677 2.691 . 0 0 "[ . 1 . 2]" 1 639 1 29 ALA H 1 49 LEU MD1 . . 5.500 4.216 3.645 5.184 . 0 0 "[ . 1 . 2]" 1 640 1 29 ALA H 1 49 LEU QD . . 4.620 4.044 3.600 4.650 0.030 4 0 "[ . 1 . 2]" 1 641 1 29 ALA H 1 49 LEU MD2 . . 5.500 5.558 5.258 5.619 0.119 16 0 "[ . 1 . 2]" 1 642 1 29 ALA HA 1 49 LEU QD . . 3.800 3.734 3.526 3.847 0.047 4 0 "[ . 1 . 2]" 1 643 1 29 ALA MB 1 30 ALA H . . 3.560 2.891 2.874 2.904 . 0 0 "[ . 1 . 2]" 1 644 1 30 ALA H 1 30 ALA MB . . 2.870 2.109 2.080 2.137 . 0 0 "[ . 1 . 2]" 1 645 1 30 ALA MB 1 31 LYS H . . 3.330 2.728 2.619 2.826 . 0 0 "[ . 1 . 2]" 1 646 1 30 ALA MB 1 32 SER H . . 5.100 4.373 4.314 4.439 . 0 0 "[ . 1 . 2]" 1 647 1 31 LYS H 1 31 LYS HB2 . . 3.710 2.688 2.182 3.633 . 0 0 "[ . 1 . 2]" 1 648 1 31 LYS H 1 31 LYS QB . . 3.020 2.325 2.153 2.429 . 0 0 "[ . 1 . 2]" 1 649 1 31 LYS H 1 31 LYS HB3 . . 3.710 2.809 2.414 3.656 . 0 0 "[ . 1 . 2]" 1 650 1 31 LYS H 1 31 LYS HG2 . . 5.110 4.327 2.477 4.658 . 0 0 "[ . 1 . 2]" 1 651 1 31 LYS H 1 31 LYS QG . . 5.100 3.754 2.440 4.097 . 0 0 "[ . 1 . 2]" 1 652 1 31 LYS H 1 31 LYS HG3 . . 5.110 4.264 3.063 4.784 . 0 0 "[ . 1 . 2]" 1 653 1 31 LYS HA 1 31 LYS QG . . 3.510 2.432 2.047 3.299 . 0 0 "[ . 1 . 2]" 1 654 1 31 LYS QB 1 32 SER H . . 3.960 2.938 2.881 3.559 . 0 0 "[ . 1 . 2]" 1 655 1 31 LYS HB2 1 32 SER H . . 4.930 3.782 2.973 4.172 . 0 0 "[ . 1 . 2]" 1 656 1 31 LYS HB3 1 32 SER H . . 4.930 3.219 2.955 3.902 . 0 0 "[ . 1 . 2]" 1 657 1 31 LYS QE 1 32 SER H . . 5.220 4.775 3.885 5.173 . 0 0 "[ . 1 . 2]" 1 658 1 31 LYS QG 1 32 SER H . . 5.310 4.131 2.425 4.574 . 0 0 "[ . 1 . 2]" 1 659 1 31 LYS HG2 1 32 SER H . . 5.500 4.508 2.544 5.422 . 0 0 "[ . 1 . 2]" 1 660 1 31 LYS HG3 1 32 SER H . . 5.500 4.999 3.055 5.305 . 0 0 "[ . 1 . 2]" 1 661 1 32 SER H 1 32 SER HB2 . . 3.670 2.674 2.187 3.677 0.007 8 0 "[ . 1 . 2]" 1 662 1 32 SER H 1 32 SER QB . . 3.180 2.449 2.163 2.932 . 0 0 "[ . 1 . 2]" 1 663 1 32 SER H 1 32 SER HB3 . . 3.670 3.319 2.369 3.676 0.006 20 0 "[ . 1 . 2]" 1 664 1 32 SER H 1 33 HIS H . . 4.920 4.396 4.169 4.525 . 0 0 "[ . 1 . 2]" 1 665 1 32 SER H 1 33 HIS HA . . 5.350 5.075 4.934 5.199 . 0 0 "[ . 1 . 2]" 1 666 1 32 SER HA 1 33 HIS H . . 3.090 2.365 2.138 2.643 . 0 0 "[ . 1 . 2]" 1 667 1 32 SER HA 1 33 HIS QB . . 4.630 4.206 4.000 4.594 . 0 0 "[ . 1 . 2]" 1 668 1 32 SER QB 1 33 HIS H . . 3.610 2.898 1.938 3.622 0.012 20 0 "[ . 1 . 2]" 1 669 1 32 SER HB2 1 33 HIS H . . 4.550 3.781 1.948 4.534 . 0 0 "[ . 1 . 2]" 1 670 1 32 SER HB3 1 33 HIS H . . 4.550 3.222 2.063 4.272 . 0 0 "[ . 1 . 2]" 1 671 1 33 HIS H 1 33 HIS HB2 . . 3.960 2.753 2.134 3.769 . 0 0 "[ . 1 . 2]" 1 672 1 33 HIS H 1 33 HIS QB . . 3.250 2.535 2.114 3.175 . 0 0 "[ . 1 . 2]" 1 673 1 33 HIS H 1 33 HIS HB3 . . 3.960 3.463 2.705 3.782 . 0 0 "[ . 1 . 2]" 1 674 1 33 HIS H 1 33 HIS HD2 . . 5.310 4.108 2.670 5.284 . 0 0 "[ . 1 . 2]" 1 675 1 33 HIS H 1 34 PRO HD2 . . 5.350 4.770 4.734 4.807 . 0 0 "[ . 1 . 2]" 1 676 1 33 HIS H 1 34 PRO QD . . 4.680 4.353 4.342 4.367 . 0 0 "[ . 1 . 2]" 1 677 1 33 HIS H 1 34 PRO HD3 . . 5.360 5.030 4.947 5.097 . 0 0 "[ . 1 . 2]" 1 678 1 33 HIS HA 1 34 PRO HD2 . . 3.300 2.486 2.433 2.514 . 0 0 "[ . 1 . 2]" 1 679 1 33 HIS HA 1 34 PRO HD3 . . 3.300 2.336 2.312 2.349 . 0 0 "[ . 1 . 2]" 1 680 1 33 HIS HA 1 34 PRO HG2 . . 4.870 4.583 4.539 4.605 . 0 0 "[ . 1 . 2]" 1 681 1 33 HIS HA 1 34 PRO HG3 . . 4.820 4.526 4.491 4.544 . 0 0 "[ . 1 . 2]" 1 682 1 33 HIS QB 1 34 PRO QD . . 3.380 2.017 1.938 2.150 . 0 0 "[ . 1 . 2]" 1 683 1 34 PRO HA 1 35 ILE H . . 3.180 2.647 2.640 2.674 . 0 0 "[ . 1 . 2]" 1 684 1 34 PRO HA 1 35 ILE HA . . 4.560 4.436 4.399 4.488 . 0 0 "[ . 1 . 2]" 1 685 1 34 PRO HA 1 35 ILE MD . . 4.790 4.363 2.970 4.799 0.009 10 0 "[ . 1 . 2]" 1 686 1 34 PRO HA 1 35 ILE HG12 . . 4.970 4.798 4.591 5.076 0.106 12 0 "[ . 1 . 2]" 1 687 1 34 PRO HA 1 35 ILE QG . . 4.360 3.353 3.322 3.374 . 0 0 "[ . 1 . 2]" 1 688 1 34 PRO HA 1 35 ILE HG13 . . 4.970 3.425 3.407 3.451 . 0 0 "[ . 1 . 2]" 1 689 1 34 PRO HA 1 35 ILE MG . . 5.500 5.498 5.409 5.539 0.039 7 0 "[ . 1 . 2]" 1 690 1 34 PRO HA 1 45 TYR QE . . 4.590 4.493 4.160 4.602 0.012 15 0 "[ . 1 . 2]" 1 691 1 34 PRO HA 1 49 LEU QD . . 5.440 4.124 3.732 4.556 . 0 0 "[ . 1 . 2]" 1 692 1 34 PRO QB 1 35 ILE H . . 3.900 2.032 1.979 2.046 . 0 0 "[ . 1 . 2]" 1 693 1 34 PRO HB2 1 35 ILE H . . 4.480 2.055 1.999 2.069 . 0 0 "[ . 1 . 2]" 1 694 1 34 PRO HB3 1 35 ILE H . . 4.480 3.202 3.181 3.208 . 0 0 "[ . 1 . 2]" 1 695 1 34 PRO HD2 1 35 ILE H . . 5.500 5.357 5.326 5.366 . 0 0 "[ . 1 . 2]" 1 696 1 34 PRO HD3 1 35 ILE H . . 5.500 5.379 5.358 5.385 . 0 0 "[ . 1 . 2]" 1 697 1 35 ILE H 1 35 ILE HB . . 3.600 2.668 2.584 2.851 . 0 0 "[ . 1 . 2]" 1 698 1 35 ILE H 1 35 ILE MD . . 4.740 3.621 2.601 4.013 . 0 0 "[ . 1 . 2]" 1 699 1 35 ILE H 1 35 ILE HG12 . . 4.330 3.949 3.703 4.294 . 0 0 "[ . 1 . 2]" 1 700 1 35 ILE H 1 35 ILE QG . . 3.790 2.699 2.430 2.970 . 0 0 "[ . 1 . 2]" 1 701 1 35 ILE H 1 35 ILE HG13 . . 4.330 2.748 2.464 3.028 . 0 0 "[ . 1 . 2]" 1 702 1 35 ILE H 1 35 ILE MG . . 4.500 3.860 3.828 3.937 . 0 0 "[ . 1 . 2]" 1 703 1 35 ILE H 1 36 HIS H . . 5.160 4.375 4.323 4.432 . 0 0 "[ . 1 . 2]" 1 704 1 35 ILE H 1 45 TYR QE . . 5.500 5.336 5.089 5.462 . 0 0 "[ . 1 . 2]" 1 705 1 35 ILE HA 1 35 ILE MD . . 3.800 3.819 3.726 3.868 0.068 10 0 "[ . 1 . 2]" 1 706 1 35 ILE HA 1 35 ILE QG . . 3.630 2.445 2.413 2.492 . 0 0 "[ . 1 . 2]" 1 707 1 35 ILE HA 1 35 ILE HG13 . . 4.160 2.911 2.548 3.094 . 0 0 "[ . 1 . 2]" 1 708 1 35 ILE HA 1 35 ILE MG . . 3.410 2.323 2.170 2.396 . 0 0 "[ . 1 . 2]" 1 709 1 35 ILE HA 1 36 HIS H . . 2.950 2.153 2.144 2.182 . 0 0 "[ . 1 . 2]" 1 710 1 35 ILE HA 1 36 HIS HA . . 4.770 4.405 4.400 4.418 . 0 0 "[ . 1 . 2]" 1 711 1 35 ILE HA 1 36 HIS QB . . 4.510 4.138 3.945 4.472 . 0 0 "[ . 1 . 2]" 1 712 1 35 ILE HA 1 38 LYS HB2 . . 5.500 4.945 4.607 5.278 . 0 0 "[ . 1 . 2]" 1 713 1 35 ILE HA 1 38 LYS QB . . 5.340 4.772 4.459 5.092 . 0 0 "[ . 1 . 2]" 1 714 1 35 ILE HA 1 41 VAL MG1 . . 5.310 5.069 4.770 5.316 0.006 12 0 "[ . 1 . 2]" 1 715 1 35 ILE HB 1 35 ILE MD . . 3.410 2.300 2.002 2.437 . 0 0 "[ . 1 . 2]" 1 716 1 35 ILE HB 1 36 HIS H . . 4.650 4.130 3.943 4.213 . 0 0 "[ . 1 . 2]" 1 717 1 35 ILE MD 1 35 ILE MG . . 2.950 2.241 1.922 2.981 0.031 8 0 "[ . 1 . 2]" 1 718 1 35 ILE MD 1 36 HIS H . . 5.140 5.142 5.131 5.165 0.025 16 0 "[ . 1 . 2]" 1 719 1 35 ILE MD 1 45 TYR QD . . 4.110 2.715 2.308 3.016 . 0 0 "[ . 1 . 2]" 1 720 1 35 ILE MD 1 45 TYR QE . . 3.740 2.699 2.105 3.134 . 0 0 "[ . 1 . 2]" 1 721 1 35 ILE QG 1 36 HIS H . . 4.580 4.197 4.129 4.299 . 0 0 "[ . 1 . 2]" 1 722 1 35 ILE QG 1 41 VAL MG1 . . 4.290 3.193 2.633 3.421 . 0 0 "[ . 1 . 2]" 1 723 1 35 ILE QG 1 45 TYR QE . . 4.700 2.867 2.490 3.261 . 0 0 "[ . 1 . 2]" 1 724 1 35 ILE HG12 1 36 HIS H . . 5.500 4.587 4.394 5.086 . 0 0 "[ . 1 . 2]" 1 725 1 35 ILE HG12 1 41 VAL MG1 . . 4.080 3.310 2.663 3.589 . 0 0 "[ . 1 . 2]" 1 726 1 35 ILE HG12 1 45 TYR QE . . 5.500 3.236 2.960 3.765 . 0 0 "[ . 1 . 2]" 1 727 1 35 ILE HG13 1 36 HIS H . . 5.500 4.952 4.618 5.105 . 0 0 "[ . 1 . 2]" 1 728 1 35 ILE HG13 1 45 TYR QE . . 5.500 3.224 2.675 3.781 . 0 0 "[ . 1 . 2]" 1 729 1 35 ILE MG 1 36 HIS H . . 3.570 2.558 2.137 2.727 . 0 0 "[ . 1 . 2]" 1 730 1 35 ILE MG 1 36 HIS HA . . 4.530 3.565 3.414 3.779 . 0 0 "[ . 1 . 2]" 1 731 1 35 ILE MG 1 36 HIS QB . . 5.210 4.403 4.308 4.606 . 0 0 "[ . 1 . 2]" 1 732 1 35 ILE MG 1 37 GLY H . . 5.120 4.849 4.637 5.121 0.001 8 0 "[ . 1 . 2]" 1 733 1 35 ILE MG 1 37 GLY QA . . 5.340 5.049 4.906 5.127 . 0 0 "[ . 1 . 2]" 1 734 1 35 ILE MG 1 38 LYS H . . 4.130 3.758 3.470 4.036 . 0 0 "[ . 1 . 2]" 1 735 1 35 ILE MG 1 38 LYS HA . . 5.140 4.500 4.255 4.738 . 0 0 "[ . 1 . 2]" 1 736 1 35 ILE MG 1 38 LYS HB2 . . 3.570 2.079 1.945 2.265 . 0 0 "[ . 1 . 2]" 1 737 1 35 ILE MG 1 38 LYS QB . . 3.550 2.044 1.900 2.222 . 0 0 "[ . 1 . 2]" 1 738 1 35 ILE MG 1 38 LYS QD . . 3.640 2.368 2.005 3.488 . 0 0 "[ . 1 . 2]" 1 739 1 35 ILE MG 1 38 LYS QE . . 4.940 3.751 2.810 4.607 . 0 0 "[ . 1 . 2]" 1 740 1 35 ILE MG 1 41 VAL HA . . 5.500 5.186 4.894 5.486 . 0 0 "[ . 1 . 2]" 1 741 1 36 HIS H 1 36 HIS HB2 . . 3.870 3.058 2.607 3.860 . 0 0 "[ . 1 . 2]" 1 742 1 36 HIS H 1 36 HIS QB . . 3.390 2.749 2.542 3.136 . 0 0 "[ . 1 . 2]" 1 743 1 36 HIS H 1 36 HIS HB3 . . 3.890 3.314 2.976 3.772 . 0 0 "[ . 1 . 2]" 1 744 1 36 HIS H 1 38 LYS H . . 5.210 4.795 4.536 5.106 . 0 0 "[ . 1 . 2]" 1 745 1 36 HIS H 1 38 LYS QB . . 5.340 4.122 3.808 4.479 . 0 0 "[ . 1 . 2]" 1 746 1 36 HIS H 1 38 LYS QD . . 5.490 4.811 4.304 5.437 . 0 0 "[ . 1 . 2]" 1 747 1 36 HIS H 1 38 LYS QG . . 5.500 3.603 3.138 3.900 . 0 0 "[ . 1 . 2]" 1 748 1 36 HIS HA 1 37 GLY H . . 3.120 2.367 2.249 2.480 . 0 0 "[ . 1 . 2]" 1 749 1 36 HIS HA 1 37 GLY HA2 . . 5.120 4.499 4.456 4.565 . 0 0 "[ . 1 . 2]" 1 750 1 36 HIS HA 1 37 GLY QA . . 4.300 4.044 3.988 4.099 . 0 0 "[ . 1 . 2]" 1 751 1 36 HIS HA 1 37 GLY HA3 . . 5.120 4.582 4.498 4.639 . 0 0 "[ . 1 . 2]" 1 752 1 36 HIS HA 1 38 LYS H . . 4.480 3.540 3.374 3.780 . 0 0 "[ . 1 . 2]" 1 753 1 36 HIS HA 1 38 LYS QB . . 5.340 4.253 4.104 4.481 . 0 0 "[ . 1 . 2]" 1 754 1 36 HIS QB 1 37 GLY H . . 4.250 2.789 2.255 3.270 . 0 0 "[ . 1 . 2]" 1 755 1 36 HIS QB 1 37 GLY QA . . 5.180 3.653 3.523 3.867 . 0 0 "[ . 1 . 2]" 1 756 1 37 GLY H 1 38 LYS H . . 3.850 2.822 2.693 2.913 . 0 0 "[ . 1 . 2]" 1 757 1 37 GLY H 1 38 LYS HB2 . . 5.500 4.830 4.714 5.023 . 0 0 "[ . 1 . 2]" 1 758 1 37 GLY H 1 38 LYS QB . . 5.340 4.683 4.576 4.851 . 0 0 "[ . 1 . 2]" 1 759 1 37 GLY H 1 38 LYS QG . . 5.500 4.932 4.569 5.236 . 0 0 "[ . 1 . 2]" 1 760 1 37 GLY QA 1 38 LYS QB . . 5.180 4.436 4.345 4.555 . 0 0 "[ . 1 . 2]" 1 761 1 37 GLY QA 1 38 LYS QG . . 4.500 3.996 3.637 4.304 . 0 0 "[ . 1 . 2]" 1 762 1 37 GLY HA2 1 38 LYS HB2 . . 5.500 5.206 5.078 5.392 . 0 0 "[ . 1 . 2]" 1 763 1 37 GLY HA2 1 38 LYS QG . . 5.500 4.821 4.498 5.140 . 0 0 "[ . 1 . 2]" 1 764 1 37 GLY HA3 1 38 LYS HB2 . . 5.500 5.263 5.135 5.462 . 0 0 "[ . 1 . 2]" 1 765 1 37 GLY HA3 1 38 LYS QG . . 5.500 4.266 3.841 4.619 . 0 0 "[ . 1 . 2]" 1 766 1 38 LYS H 1 38 LYS HB2 . . 3.560 2.595 2.437 2.742 . 0 0 "[ . 1 . 2]" 1 767 1 38 LYS H 1 38 LYS QB . . 3.370 2.546 2.398 2.681 . 0 0 "[ . 1 . 2]" 1 768 1 38 LYS H 1 38 LYS QG . . 3.980 3.416 3.074 3.580 . 0 0 "[ . 1 . 2]" 1 769 1 38 LYS H 1 39 THR H . . 4.600 4.385 4.257 4.474 . 0 0 "[ . 1 . 2]" 1 770 1 38 LYS HA 1 38 LYS QD . . 4.800 3.597 2.447 3.992 . 0 0 "[ . 1 . 2]" 1 771 1 38 LYS HA 1 38 LYS QG . . 3.260 2.197 2.076 2.614 . 0 0 "[ . 1 . 2]" 1 772 1 38 LYS HA 1 39 THR H . . 3.210 2.275 2.178 2.494 . 0 0 "[ . 1 . 2]" 1 773 1 38 LYS HA 1 40 ASP H . . 5.040 4.457 4.151 4.913 . 0 0 "[ . 1 . 2]" 1 774 1 38 LYS QB 1 39 THR H . . 3.780 2.806 2.206 3.150 . 0 0 "[ . 1 . 2]" 1 775 1 38 LYS QB 1 39 THR HB . . 5.340 4.827 4.379 4.998 . 0 0 "[ . 1 . 2]" 1 776 1 38 LYS QB 1 40 ASP H . . 4.320 3.101 2.958 3.298 . 0 0 "[ . 1 . 2]" 1 777 1 38 LYS QB 1 40 ASP HA . . 5.340 4.095 3.972 4.230 . 0 0 "[ . 1 . 2]" 1 778 1 38 LYS QB 1 41 VAL MG1 . . 3.920 3.278 2.931 3.808 . 0 0 "[ . 1 . 2]" 1 779 1 38 LYS HB2 1 39 THR H . . 4.880 4.065 3.587 4.329 . 0 0 "[ . 1 . 2]" 1 780 1 38 LYS HB2 1 40 ASP H . . 5.500 4.612 4.417 4.959 . 0 0 "[ . 1 . 2]" 1 781 1 38 LYS HB2 1 41 VAL MG1 . . 4.510 3.975 3.618 4.441 . 0 0 "[ . 1 . 2]" 1 782 1 38 LYS HB3 1 38 LYS QE . . 4.950 3.470 2.502 3.973 . 0 0 "[ . 1 . 2]" 1 783 1 38 LYS HB3 1 39 THR H . . 4.430 2.865 2.227 3.236 . 0 0 "[ . 1 . 2]" 1 784 1 38 LYS HB3 1 39 THR HB . . 5.190 4.994 4.501 5.183 . 0 0 "[ . 1 . 2]" 1 785 1 38 LYS HB3 1 40 ASP H . . 4.370 3.153 2.992 3.349 . 0 0 "[ . 1 . 2]" 1 786 1 38 LYS HB3 1 40 ASP HA . . 5.500 4.335 4.113 4.555 . 0 0 "[ . 1 . 2]" 1 787 1 38 LYS HB3 1 41 VAL MG1 . . 4.510 3.496 3.098 4.177 . 0 0 "[ . 1 . 2]" 1 788 1 38 LYS QD 1 39 THR H . . 5.500 4.060 3.136 4.881 . 0 0 "[ . 1 . 2]" 1 789 1 38 LYS QD 1 40 ASP H . . 4.900 4.144 3.412 4.731 . 0 0 "[ . 1 . 2]" 1 790 1 38 LYS QG 1 39 THR H . . 4.930 3.778 3.411 4.427 . 0 0 "[ . 1 . 2]" 1 791 1 39 THR H 1 39 THR HB . . 3.710 2.953 2.802 3.303 . 0 0 "[ . 1 . 2]" 1 792 1 39 THR H 1 39 THR MG . . 4.550 3.662 3.326 3.826 . 0 0 "[ . 1 . 2]" 1 793 1 39 THR H 1 40 ASP H . . 3.600 2.703 2.213 3.045 . 0 0 "[ . 1 . 2]" 1 794 1 39 THR HA 1 39 THR MG . . 3.040 2.126 1.962 2.280 . 0 0 "[ . 1 . 2]" 1 795 1 39 THR HB 1 40 ASP H . . 3.540 2.410 2.034 2.632 . 0 0 "[ . 1 . 2]" 1 796 1 39 THR HB 1 40 ASP HA . . 4.670 4.617 4.481 4.670 0.000 14 0 "[ . 1 . 2]" 1 797 1 39 THR HB 1 40 ASP HB2 . . 5.500 4.982 4.799 5.194 . 0 0 "[ . 1 . 2]" 1 798 1 39 THR HB 1 40 ASP QB . . 5.250 4.105 3.916 4.276 . 0 0 "[ . 1 . 2]" 1 799 1 39 THR HB 1 40 ASP HB3 . . 5.500 4.372 4.124 4.550 . 0 0 "[ . 1 . 2]" 1 800 1 39 THR MG 1 40 ASP H . . 3.970 3.782 3.418 3.965 . 0 0 "[ . 1 . 2]" 1 801 1 40 ASP H 1 40 ASP HB2 . . 4.200 3.981 3.933 4.030 . 0 0 "[ . 1 . 2]" 1 802 1 40 ASP H 1 40 ASP QB . . 3.700 3.428 3.404 3.442 . 0 0 "[ . 1 . 2]" 1 803 1 40 ASP H 1 40 ASP HB3 . . 4.200 3.742 3.671 3.786 . 0 0 "[ . 1 . 2]" 1 804 1 40 ASP H 1 41 VAL H . . 5.060 4.208 4.098 4.300 . 0 0 "[ . 1 . 2]" 1 805 1 40 ASP H 1 41 VAL HA . . 5.480 4.548 4.519 4.571 . 0 0 "[ . 1 . 2]" 1 806 1 40 ASP H 1 41 VAL MG1 . . 4.930 4.121 3.965 4.354 . 0 0 "[ . 1 . 2]" 1 807 1 40 ASP H 1 41 VAL MG2 . . 5.500 5.087 4.922 5.270 . 0 0 "[ . 1 . 2]" 1 808 1 40 ASP HA 1 41 VAL H . . 3.210 2.260 2.186 2.360 . 0 0 "[ . 1 . 2]" 1 809 1 40 ASP HA 1 41 VAL MG1 . . 4.690 3.959 3.873 4.038 . 0 0 "[ . 1 . 2]" 1 810 1 40 ASP HA 1 41 VAL MG2 . . 4.200 3.555 3.421 3.619 . 0 0 "[ . 1 . 2]" 1 811 1 40 ASP QB 1 41 VAL H . . 3.400 2.775 2.519 3.016 . 0 0 "[ . 1 . 2]" 1 812 1 40 ASP QB 1 41 VAL HA . . 4.620 4.306 4.251 4.356 . 0 0 "[ . 1 . 2]" 1 813 1 40 ASP HB2 1 41 VAL H . . 3.900 2.859 2.574 3.146 . 0 0 "[ . 1 . 2]" 1 814 1 40 ASP HB2 1 41 VAL HA . . 5.020 4.450 4.387 4.508 . 0 0 "[ . 1 . 2]" 1 815 1 40 ASP HB2 1 41 VAL MG2 . . 5.500 4.354 4.023 4.634 . 0 0 "[ . 1 . 2]" 1 816 1 40 ASP HB3 1 41 VAL H . . 3.920 3.774 3.577 3.873 . 0 0 "[ . 1 . 2]" 1 817 1 40 ASP HB3 1 41 VAL MG2 . . 5.500 5.097 4.861 5.221 . 0 0 "[ . 1 . 2]" 1 818 1 41 VAL H 1 41 VAL MG1 . . 3.950 3.108 3.027 3.146 . 0 0 "[ . 1 . 2]" 1 819 1 41 VAL H 1 41 VAL MG2 . . 3.310 2.004 1.901 2.066 . 0 0 "[ . 1 . 2]" 1 820 1 41 VAL H 1 42 PRO HD2 . . 5.430 4.800 4.798 4.802 . 0 0 "[ . 1 . 2]" 1 821 1 41 VAL H 1 42 PRO QD . . 4.840 4.371 4.369 4.374 . 0 0 "[ . 1 . 2]" 1 822 1 41 VAL H 1 42 PRO HD3 . . 5.410 5.032 5.023 5.039 . 0 0 "[ . 1 . 2]" 1 823 1 41 VAL H 1 45 TYR HB3 . . 5.500 5.436 5.295 5.505 0.005 3 0 "[ . 1 . 2]" 1 824 1 41 VAL HA 1 41 VAL MG1 . . 3.350 2.121 2.088 2.195 . 0 0 "[ . 1 . 2]" 1 825 1 41 VAL HA 1 42 PRO HD2 . . 3.420 2.429 2.418 2.434 . 0 0 "[ . 1 . 2]" 1 826 1 41 VAL HA 1 42 PRO QD . . 2.910 2.107 2.100 2.109 . 0 0 "[ . 1 . 2]" 1 827 1 41 VAL HA 1 42 PRO HD3 . . 3.310 2.311 2.306 2.313 . 0 0 "[ . 1 . 2]" 1 828 1 41 VAL HA 1 42 PRO HG2 . . 5.340 4.536 4.528 4.541 . 0 0 "[ . 1 . 2]" 1 829 1 41 VAL HA 1 42 PRO HG3 . . 4.950 4.489 4.483 4.492 . 0 0 "[ . 1 . 2]" 1 830 1 41 VAL HA 1 45 TYR QD . . 5.360 4.854 4.568 5.362 0.002 4 0 "[ . 1 . 2]" 1 831 1 41 VAL HB 1 42 PRO HD2 . . 3.580 1.974 1.972 1.976 . 0 0 "[ . 1 . 2]" 1 832 1 41 VAL HB 1 42 PRO QD . . 3.470 1.962 1.960 1.964 . 0 0 "[ . 1 . 2]" 1 833 1 41 VAL HB 1 42 PRO HD3 . . 3.660 3.429 3.426 3.430 . 0 0 "[ . 1 . 2]" 1 834 1 41 VAL HB 1 45 TYR H . . 5.190 4.121 4.037 4.208 . 0 0 "[ . 1 . 2]" 1 835 1 41 VAL HB 1 45 TYR HB3 . . 4.890 2.561 2.405 2.693 . 0 0 "[ . 1 . 2]" 1 836 1 41 VAL HB 1 45 TYR QD . . 4.300 3.092 2.777 3.575 . 0 0 "[ . 1 . 2]" 1 837 1 41 VAL MG1 1 42 PRO HD2 . . 4.110 2.806 2.735 2.885 . 0 0 "[ . 1 . 2]" 1 838 1 41 VAL MG1 1 42 PRO QD . . 3.450 2.708 2.655 2.780 . 0 0 "[ . 1 . 2]" 1 839 1 41 VAL MG1 1 42 PRO HD3 . . 4.110 3.569 3.508 3.638 . 0 0 "[ . 1 . 2]" 1 840 1 41 VAL MG1 1 45 TYR QD . . 4.010 2.733 2.328 3.356 . 0 0 "[ . 1 . 2]" 1 841 1 41 VAL MG1 1 45 TYR QE . . 4.520 3.349 3.032 3.816 . 0 0 "[ . 1 . 2]" 1 842 1 41 VAL MG2 1 42 PRO HG2 . . 5.180 4.893 4.866 4.906 . 0 0 "[ . 1 . 2]" 1 843 1 41 VAL MG2 1 45 TYR H . . 5.210 4.460 4.376 4.520 . 0 0 "[ . 1 . 2]" 1 844 1 41 VAL MG2 1 45 TYR HB2 . . 4.400 3.402 3.283 3.558 . 0 0 "[ . 1 . 2]" 1 845 1 41 VAL MG2 1 45 TYR HB3 . . 3.990 2.324 2.135 2.475 . 0 0 "[ . 1 . 2]" 1 846 1 41 VAL MG2 1 45 TYR QD . . 3.990 3.350 2.941 3.515 . 0 0 "[ . 1 . 2]" 1 847 1 41 VAL MG2 1 46 GLY H . . 4.800 3.711 3.534 3.818 . 0 0 "[ . 1 . 2]" 1 848 1 41 VAL MG2 1 46 GLY HA2 . . 5.500 4.430 4.179 4.652 . 0 0 "[ . 1 . 2]" 1 849 1 41 VAL MG2 1 46 GLY HA3 . . 5.460 4.502 4.312 4.688 . 0 0 "[ . 1 . 2]" 1 850 1 42 PRO HA 1 43 VAL H . . 3.030 2.287 2.274 2.305 . 0 0 "[ . 1 . 2]" 1 851 1 42 PRO HA 1 44 SER H . . 4.360 4.063 4.034 4.095 . 0 0 "[ . 1 . 2]" 1 852 1 42 PRO HB2 1 44 SER H . . 3.820 2.405 2.390 2.428 . 0 0 "[ . 1 . 2]" 1 853 1 42 PRO HB2 1 44 SER QB . . 4.330 2.745 2.645 3.449 . 0 0 "[ . 1 . 2]" 1 854 1 42 PRO HB2 1 45 TYR H . . 4.040 3.563 3.520 3.607 . 0 0 "[ . 1 . 2]" 1 855 1 42 PRO HB3 1 43 VAL H . . 4.310 3.624 3.593 3.646 . 0 0 "[ . 1 . 2]" 1 856 1 42 PRO HB3 1 44 SER H . . 4.290 4.108 4.089 4.127 . 0 0 "[ . 1 . 2]" 1 857 1 42 PRO QD 1 45 TYR QD . . 3.980 3.136 2.934 3.539 . 0 0 "[ . 1 . 2]" 1 858 1 42 PRO HD2 1 45 TYR QD . . 4.150 3.182 2.969 3.608 . 0 0 "[ . 1 . 2]" 1 859 1 42 PRO HD3 1 45 TYR QD . . 5.110 4.759 4.590 5.120 0.010 1 0 "[ . 1 . 2]" 1 860 1 42 PRO HG2 1 44 SER QB . . 4.960 3.045 2.908 3.136 . 0 0 "[ . 1 . 2]" 1 861 1 42 PRO HG2 1 45 TYR QD . . 4.230 3.864 3.669 3.937 . 0 0 "[ . 1 . 2]" 1 862 1 42 PRO HG3 1 45 TYR QD . . 4.810 4.788 4.630 4.824 0.014 19 0 "[ . 1 . 2]" 1 863 1 43 VAL H 1 43 VAL HB . . 3.360 2.600 2.571 2.625 . 0 0 "[ . 1 . 2]" 1 864 1 43 VAL H 1 43 VAL MG1 . . 4.630 2.089 1.936 2.186 . 0 0 "[ . 1 . 2]" 1 865 1 43 VAL H 1 43 VAL QG . . 3.180 2.078 1.930 2.172 . 0 0 "[ . 1 . 2]" 1 866 1 43 VAL H 1 43 VAL MG2 . . 4.630 3.765 3.764 3.766 . 0 0 "[ . 1 . 2]" 1 867 1 43 VAL HA 1 43 VAL MG1 . . 3.710 3.188 3.180 3.200 . 0 0 "[ . 1 . 2]" 1 868 1 43 VAL HA 1 43 VAL QG . . 3.110 2.285 2.269 2.306 . 0 0 "[ . 1 . 2]" 1 869 1 43 VAL HA 1 43 VAL MG2 . . 3.750 2.341 2.323 2.367 . 0 0 "[ . 1 . 2]" 1 870 1 43 VAL HA 1 45 TYR H . . 4.910 3.921 3.857 3.963 . 0 0 "[ . 1 . 2]" 1 871 1 43 VAL HB 1 47 THR H . . 5.500 5.564 5.537 5.609 0.109 1 0 "[ . 1 . 2]" 1 872 1 43 VAL QG 1 44 SER H . . 3.920 2.028 1.906 2.252 . 0 0 "[ . 1 . 2]" 1 873 1 43 VAL QG 1 44 SER HA . . 4.170 3.122 3.043 3.174 . 0 0 "[ . 1 . 2]" 1 874 1 43 VAL QG 1 45 TYR H . . 5.440 3.992 3.940 4.048 . 0 0 "[ . 1 . 2]" 1 875 1 43 VAL QG 1 47 THR H . . 4.280 3.129 3.053 3.201 . 0 0 "[ . 1 . 2]" 1 876 1 43 VAL QG 1 47 THR HA . . 5.130 4.064 3.975 4.147 . 0 0 "[ . 1 . 2]" 1 877 1 43 VAL QG 1 47 THR MG . . 3.870 1.794 1.713 1.845 . 0 0 "[ . 1 . 2]" 1 878 1 43 VAL QG 1 48 SER H . . 5.440 5.142 5.083 5.218 . 0 0 "[ . 1 . 2]" 1 879 1 43 VAL MG1 1 44 SER H . . 4.730 2.040 1.913 2.272 . 0 0 "[ . 1 . 2]" 1 880 1 43 VAL MG1 1 44 SER HA . . 4.790 3.399 3.254 3.518 . 0 0 "[ . 1 . 2]" 1 881 1 43 VAL MG1 1 45 TYR H . . 5.500 4.314 4.254 4.393 . 0 0 "[ . 1 . 2]" 1 882 1 43 VAL MG2 1 44 SER H . . 4.730 3.625 3.581 3.681 . 0 0 "[ . 1 . 2]" 1 883 1 43 VAL MG2 1 44 SER HA . . 4.790 3.647 3.603 3.733 . 0 0 "[ . 1 . 2]" 1 884 1 44 SER H 1 44 SER QB . . 3.260 2.116 2.049 2.807 . 0 0 "[ . 1 . 2]" 1 885 1 44 SER HA 1 46 GLY H . . 4.840 4.755 4.694 4.801 . 0 0 "[ . 1 . 2]" 1 886 1 44 SER HA 1 47 THR H . . 4.010 3.743 3.657 3.805 . 0 0 "[ . 1 . 2]" 1 887 1 44 SER HA 1 47 THR MG . . 4.090 3.241 2.923 3.553 . 0 0 "[ . 1 . 2]" 1 888 1 44 SER QB 1 45 TYR H . . 3.910 2.860 2.808 2.992 . 0 0 "[ . 1 . 2]" 1 889 1 44 SER QB 1 45 TYR HB2 . . 4.600 4.121 4.028 4.426 . 0 0 "[ . 1 . 2]" 1 890 1 45 TYR H 1 45 TYR HB2 . . 3.910 2.292 2.268 2.308 . 0 0 "[ . 1 . 2]" 1 891 1 45 TYR H 1 45 TYR HB3 . . 3.560 2.841 2.834 2.857 . 0 0 "[ . 1 . 2]" 1 892 1 45 TYR H 1 45 TYR QD . . 4.280 4.128 4.083 4.150 . 0 0 "[ . 1 . 2]" 1 893 1 45 TYR H 1 46 GLY H . . 3.520 2.606 2.575 2.653 . 0 0 "[ . 1 . 2]" 1 894 1 45 TYR H 1 46 GLY HA3 . . 5.460 4.862 4.824 4.919 . 0 0 "[ . 1 . 2]" 1 895 1 45 TYR HA 1 45 TYR QD . . 3.810 2.941 2.878 3.066 . 0 0 "[ . 1 . 2]" 1 896 1 45 TYR HB2 1 46 GLY H . . 4.400 3.502 3.487 3.512 . 0 0 "[ . 1 . 2]" 1 897 1 45 TYR HB3 1 46 GLY H . . 3.930 2.435 2.428 2.450 . 0 0 "[ . 1 . 2]" 1 898 1 45 TYR HB3 1 47 THR H . . 5.190 4.901 4.852 4.954 . 0 0 "[ . 1 . 2]" 1 899 1 45 TYR QD 1 46 GLY H . . 5.070 3.883 3.867 3.893 . 0 0 "[ . 1 . 2]" 1 900 1 45 TYR QD 1 46 GLY HA2 . . 5.480 3.523 3.496 3.573 . 0 0 "[ . 1 . 2]" 1 901 1 45 TYR QD 1 46 GLY HA3 . . 4.930 4.769 4.711 4.805 . 0 0 "[ . 1 . 2]" 1 902 1 45 TYR QE 1 46 GLY HA2 . . 5.500 5.517 5.506 5.545 0.045 12 0 "[ . 1 . 2]" 1 903 1 46 GLY H 1 47 THR H . . 3.420 2.668 2.608 2.710 . 0 0 "[ . 1 . 2]" 1 904 1 46 GLY H 1 47 THR MG . . 4.620 4.406 4.188 4.615 . 0 0 "[ . 1 . 2]" 1 905 1 46 GLY H 1 88 MET HG2 . . 5.500 5.533 5.512 5.570 0.070 12 0 "[ . 1 . 2]" 1 906 1 46 GLY H 1 90 ILE MD . . 4.470 4.098 3.744 4.383 . 0 0 "[ . 1 . 2]" 1 907 1 46 GLY HA2 1 48 SER H . . 4.930 4.087 3.990 4.157 . 0 0 "[ . 1 . 2]" 1 908 1 46 GLY HA2 1 49 LEU H . . 4.210 3.487 3.379 3.531 . 0 0 "[ . 1 . 2]" 1 909 1 46 GLY HA2 1 49 LEU QB . . 3.970 3.248 3.109 3.412 . 0 0 "[ . 1 . 2]" 1 910 1 46 GLY HA2 1 49 LEU QD . . 5.440 4.103 3.980 4.235 . 0 0 "[ . 1 . 2]" 1 911 1 46 GLY HA2 1 88 MET HG2 . . 4.620 4.135 4.014 4.261 . 0 0 "[ . 1 . 2]" 1 912 1 46 GLY HA3 1 47 THR H . . 3.250 2.833 2.795 2.871 . 0 0 "[ . 1 . 2]" 1 913 1 46 GLY HA3 1 48 SER H . . 5.500 4.543 4.503 4.573 . 0 0 "[ . 1 . 2]" 1 914 1 46 GLY HA3 1 49 LEU H . . 4.990 4.675 4.555 4.716 . 0 0 "[ . 1 . 2]" 1 915 1 46 GLY HA3 1 49 LEU QB . . 5.500 4.516 4.378 4.660 . 0 0 "[ . 1 . 2]" 1 916 1 46 GLY HA3 1 88 MET ME . . 5.020 4.359 4.201 4.532 . 0 0 "[ . 1 . 2]" 1 917 1 46 GLY HA3 1 88 MET HG2 . . 5.500 3.485 3.450 3.528 . 0 0 "[ . 1 . 2]" 1 918 1 46 GLY HA3 1 88 MET HG3 . . 5.500 4.783 4.729 4.832 . 0 0 "[ . 1 . 2]" 1 919 1 46 GLY HA3 1 90 ILE MD . . 3.210 2.873 2.631 2.998 . 0 0 "[ . 1 . 2]" 1 920 1 47 THR H 1 47 THR MG . . 3.360 2.395 2.194 2.610 . 0 0 "[ . 1 . 2]" 1 921 1 47 THR H 1 48 SER H . . 3.580 2.716 2.708 2.723 . 0 0 "[ . 1 . 2]" 1 922 1 47 THR H 1 49 LEU H . . 4.880 4.379 4.295 4.442 . 0 0 "[ . 1 . 2]" 1 923 1 47 THR H 1 49 LEU QB . . 5.500 5.337 5.235 5.443 . 0 0 "[ . 1 . 2]" 1 924 1 47 THR H 1 50 LEU QD . . 5.420 5.094 4.949 5.300 . 0 0 "[ . 1 . 2]" 1 925 1 47 THR H 1 90 ILE MD . . 4.190 2.885 2.551 3.078 . 0 0 "[ . 1 . 2]" 1 926 1 47 THR HA 1 47 THR MG . . 3.120 2.288 2.105 2.379 . 0 0 "[ . 1 . 2]" 1 927 1 47 THR HA 1 90 ILE MD . . 4.790 2.437 2.102 2.776 . 0 0 "[ . 1 . 2]" 1 928 1 47 THR HA 1 90 ILE MG . . 4.530 3.687 3.060 3.862 . 0 0 "[ . 1 . 2]" 1 929 1 47 THR HB 1 50 LEU HB2 . . 5.500 4.873 4.628 5.357 . 0 0 "[ . 1 . 2]" 1 930 1 47 THR HB 1 50 LEU HB3 . . 5.070 4.624 4.407 4.937 . 0 0 "[ . 1 . 2]" 1 931 1 47 THR HB 1 50 LEU QD . . 5.150 4.679 4.551 4.858 . 0 0 "[ . 1 . 2]" 1 932 1 47 THR HB 1 93 TRP HB2 . . 4.890 2.536 2.041 2.942 . 0 0 "[ . 1 . 2]" 1 933 1 47 THR HB 1 93 TRP QB . . 4.650 2.505 2.024 2.900 . 0 0 "[ . 1 . 2]" 1 934 1 47 THR MG 1 48 SER H . . 4.430 4.073 3.969 4.159 . 0 0 "[ . 1 . 2]" 1 935 1 47 THR MG 1 50 LEU QD . . 3.740 3.467 3.223 3.741 0.001 15 0 "[ . 1 . 2]" 1 936 1 47 THR MG 1 90 ILE MD . . 3.200 1.899 1.827 2.233 . 0 0 "[ . 1 . 2]" 1 937 1 47 THR MG 1 90 ILE MG . . 2.930 2.173 1.865 2.494 . 0 0 "[ . 1 . 2]" 1 938 1 47 THR MG 1 93 TRP H . . 5.400 4.612 3.870 4.956 . 0 0 "[ . 1 . 2]" 1 939 1 47 THR MG 1 93 TRP HA . . 3.780 2.729 2.348 2.988 . 0 0 "[ . 1 . 2]" 1 940 1 47 THR MG 1 93 TRP HB2 . . 4.130 2.269 2.091 2.493 . 0 0 "[ . 1 . 2]" 1 941 1 47 THR MG 1 93 TRP QB . . 3.700 2.072 1.840 2.377 . 0 0 "[ . 1 . 2]" 1 942 1 47 THR MG 1 93 TRP HB3 . . 4.100 2.416 1.991 2.996 . 0 0 "[ . 1 . 2]" 1 943 1 48 SER H 1 48 SER HB2 . . 3.850 2.297 2.080 2.687 . 0 0 "[ . 1 . 2]" 1 944 1 48 SER H 1 48 SER QB . . 3.190 2.190 2.055 2.476 . 0 0 "[ . 1 . 2]" 1 945 1 48 SER H 1 48 SER HB3 . . 3.850 3.026 2.392 3.592 . 0 0 "[ . 1 . 2]" 1 946 1 48 SER H 1 49 LEU H . . 3.810 2.722 2.631 2.764 . 0 0 "[ . 1 . 2]" 1 947 1 48 SER H 1 49 LEU QB . . 4.830 4.480 4.371 4.522 . 0 0 "[ . 1 . 2]" 1 948 1 48 SER H 1 90 ILE MD . . 4.930 4.759 4.423 4.928 . 0 0 "[ . 1 . 2]" 1 949 1 48 SER QB 1 49 LEU H . . 3.420 2.611 2.494 2.686 . 0 0 "[ . 1 . 2]" 1 950 1 49 LEU H 1 49 LEU QB . . 3.090 2.208 2.125 2.248 . 0 0 "[ . 1 . 2]" 1 951 1 49 LEU H 1 49 LEU MD1 . . 4.470 3.974 3.737 4.074 . 0 0 "[ . 1 . 2]" 1 952 1 49 LEU H 1 49 LEU QD . . 4.060 3.657 3.548 3.697 . 0 0 "[ . 1 . 2]" 1 953 1 49 LEU H 1 49 LEU MD2 . . 4.470 4.296 4.225 4.423 . 0 0 "[ . 1 . 2]" 1 954 1 49 LEU H 1 49 LEU HG . . 5.500 4.409 4.296 4.477 . 0 0 "[ . 1 . 2]" 1 955 1 49 LEU H 1 50 LEU H . . 3.710 2.486 2.473 2.546 . 0 0 "[ . 1 . 2]" 1 956 1 49 LEU H 1 50 LEU HB2 . . 5.220 4.341 4.289 4.562 . 0 0 "[ . 1 . 2]" 1 957 1 49 LEU H 1 50 LEU HB3 . . 5.500 5.317 4.985 5.404 . 0 0 "[ . 1 . 2]" 1 958 1 49 LEU H 1 50 LEU QD . . 5.440 5.422 5.211 5.460 0.020 12 0 "[ . 1 . 2]" 1 959 1 49 LEU H 1 52 ALA MB . . 5.200 4.260 4.185 4.347 . 0 0 "[ . 1 . 2]" 1 960 1 49 LEU H 1 90 ILE MD . . 5.360 5.209 4.765 5.396 0.036 1 0 "[ . 1 . 2]" 1 961 1 49 LEU HA 1 49 LEU MD1 . . 3.960 2.454 1.939 3.529 . 0 0 "[ . 1 . 2]" 1 962 1 49 LEU HA 1 49 LEU QD . . 2.900 2.343 1.933 2.969 0.069 1 0 "[ . 1 . 2]" 1 963 1 49 LEU HA 1 49 LEU MD2 . . 3.960 3.620 3.151 3.766 . 0 0 "[ . 1 . 2]" 1 964 1 49 LEU HA 1 49 LEU HG . . 3.830 2.928 2.186 3.427 . 0 0 "[ . 1 . 2]" 1 965 1 49 LEU HA 1 52 ALA MB . . 3.660 2.193 2.081 2.328 . 0 0 "[ . 1 . 2]" 1 966 1 49 LEU HA 1 53 ALA H . . 4.620 4.045 3.900 4.186 . 0 0 "[ . 1 . 2]" 1 967 1 49 LEU QB 1 49 LEU MD1 . . 3.200 2.257 1.932 2.410 . 0 0 "[ . 1 . 2]" 1 968 1 49 LEU QB 1 49 LEU MD2 . . 3.200 2.038 1.934 2.160 . 0 0 "[ . 1 . 2]" 1 969 1 49 LEU QB 1 50 LEU H . . 3.440 2.659 2.458 2.703 . 0 0 "[ . 1 . 2]" 1 970 1 49 LEU QB 1 50 LEU HA . . 4.960 4.028 3.782 4.182 . 0 0 "[ . 1 . 2]" 1 971 1 49 LEU QB 1 53 ALA H . . 5.500 5.260 4.966 5.455 . 0 0 "[ . 1 . 2]" 1 972 1 49 LEU QD 1 50 LEU H . . 4.330 3.901 3.645 3.992 . 0 0 "[ . 1 . 2]" 1 973 1 49 LEU QD 1 88 MET HG3 . . 5.440 4.982 4.498 5.177 . 0 0 "[ . 1 . 2]" 1 974 1 49 LEU MD1 1 50 LEU H . . 5.090 4.525 4.202 4.987 . 0 0 "[ . 1 . 2]" 1 975 1 49 LEU MD2 1 50 LEU H . . 5.090 4.406 3.769 4.725 . 0 0 "[ . 1 . 2]" 1 976 1 49 LEU HG 1 50 LEU H . . 5.500 4.275 3.850 4.885 . 0 0 "[ . 1 . 2]" 1 977 1 49 LEU HG 1 50 LEU HA . . 5.500 4.476 3.812 5.527 0.027 4 0 "[ . 1 . 2]" 1 978 1 50 LEU H 1 50 LEU HB2 . . 3.310 2.105 2.056 2.293 . 0 0 "[ . 1 . 2]" 1 979 1 50 LEU H 1 50 LEU HB3 . . 4.060 3.042 2.751 3.137 . 0 0 "[ . 1 . 2]" 1 980 1 50 LEU H 1 50 LEU QD . . 4.110 3.701 3.480 3.739 . 0 0 "[ . 1 . 2]" 1 981 1 50 LEU H 1 51 ALA H . . 3.700 2.736 2.667 2.856 . 0 0 "[ . 1 . 2]" 1 982 1 50 LEU H 1 88 MET ME . . 4.030 3.056 2.717 3.234 . 0 0 "[ . 1 . 2]" 1 983 1 50 LEU HA 1 50 LEU QD . . 3.060 2.270 1.891 2.335 . 0 0 "[ . 1 . 2]" 1 984 1 50 LEU HA 1 50 LEU HG . . 3.900 2.622 2.565 3.050 . 0 0 "[ . 1 . 2]" 1 985 1 50 LEU HA 1 53 ALA MB . . 3.590 3.396 3.347 3.452 . 0 0 "[ . 1 . 2]" 1 986 1 50 LEU HA 1 54 ARG H . . 4.610 4.272 4.125 4.419 . 0 0 "[ . 1 . 2]" 1 987 1 50 LEU HA 1 85 ALA H . . 5.500 5.086 4.941 5.498 . 0 0 "[ . 1 . 2]" 1 988 1 50 LEU HA 1 88 MET ME . . 3.890 2.735 2.478 2.870 . 0 0 "[ . 1 . 2]" 1 989 1 50 LEU HA 1 93 TRP HD1 . . 5.500 5.478 5.283 5.550 0.050 1 0 "[ . 1 . 2]" 1 990 1 50 LEU HB2 1 51 ALA H . . 4.020 3.263 3.174 3.586 . 0 0 "[ . 1 . 2]" 1 991 1 50 LEU HB2 1 51 ALA HA . . 5.500 5.341 5.287 5.524 0.024 15 0 "[ . 1 . 2]" 1 992 1 50 LEU HB2 1 88 MET ME . . 4.800 2.551 1.907 2.772 . 0 0 "[ . 1 . 2]" 1 993 1 50 LEU HB2 1 93 TRP QB . . 5.340 3.875 3.718 4.206 . 0 0 "[ . 1 . 2]" 1 994 1 50 LEU HB2 1 93 TRP HD1 . . 5.410 4.692 4.459 5.005 . 0 0 "[ . 1 . 2]" 1 995 1 50 LEU HB2 1 93 TRP HE3 . . 5.500 5.544 5.515 5.627 0.127 1 0 "[ . 1 . 2]" 1 996 1 50 LEU HB3 1 51 ALA H . . 3.940 2.479 2.364 2.513 . 0 0 "[ . 1 . 2]" 1 997 1 50 LEU HB3 1 51 ALA HA . . 4.780 3.858 3.828 4.027 . 0 0 "[ . 1 . 2]" 1 998 1 50 LEU HB3 1 88 MET ME . . 4.800 3.792 3.344 3.942 . 0 0 "[ . 1 . 2]" 1 999 1 50 LEU HB3 1 93 TRP HD1 . . 5.160 3.103 2.915 3.250 . 0 0 "[ . 1 . 2]" 1 1000 1 50 LEU HB3 1 93 TRP HE1 . . 5.500 3.623 3.433 3.899 . 0 0 "[ . 1 . 2]" 1 1001 1 50 LEU HB3 1 93 TRP HE3 . . 5.500 4.693 4.573 4.894 . 0 0 "[ . 1 . 2]" 1 1002 1 50 LEU QD 1 51 ALA H . . 4.660 3.634 3.569 3.980 . 0 0 "[ . 1 . 2]" 1 1003 1 50 LEU QD 1 57 PHE QE . . 5.410 5.381 5.047 5.424 0.014 11 0 "[ . 1 . 2]" 1 1004 1 50 LEU QD 1 73 MET ME . . 5.440 4.692 4.140 5.260 . 0 0 "[ . 1 . 2]" 1 1005 1 50 LEU QD 1 81 VAL HA . . 4.080 3.457 3.141 3.862 . 0 0 "[ . 1 . 2]" 1 1006 1 50 LEU QD 1 81 VAL QG . . 2.890 1.966 1.796 2.227 . 0 0 "[ . 1 . 2]" 1 1007 1 50 LEU QD 1 81 VAL MG2 . . 4.600 2.636 1.827 3.834 . 0 0 "[ . 1 . 2]" 1 1008 1 50 LEU QD 1 82 HIS HA . . 5.440 3.938 3.700 4.252 . 0 0 "[ . 1 . 2]" 1 1009 1 50 LEU QD 1 84 ALA H . . 4.620 4.354 3.746 4.526 . 0 0 "[ . 1 . 2]" 1 1010 1 50 LEU QD 1 84 ALA HA . . 5.440 4.984 4.222 5.110 . 0 0 "[ . 1 . 2]" 1 1011 1 50 LEU QD 1 84 ALA MB . . 3.020 2.951 2.285 3.045 0.025 12 0 "[ . 1 . 2]" 1 1012 1 50 LEU QD 1 85 ALA H . . 3.690 2.853 2.189 3.031 . 0 0 "[ . 1 . 2]" 1 1013 1 50 LEU QD 1 85 ALA HA . . 3.110 2.107 1.873 2.249 . 0 0 "[ . 1 . 2]" 1 1014 1 50 LEU QD 1 85 ALA MB . . 3.150 1.667 1.654 1.682 . 0 0 "[ . 1 . 2]" 1 1015 1 50 LEU QD 1 88 MET QB . . 4.760 3.023 2.720 3.142 . 0 0 "[ . 1 . 2]" 1 1016 1 50 LEU QD 1 88 MET ME . . 2.730 2.440 1.682 2.756 0.026 19 0 "[ . 1 . 2]" 1 1017 1 50 LEU QD 1 88 MET HG3 . . 5.440 4.529 4.031 4.730 . 0 0 "[ . 1 . 2]" 1 1018 1 50 LEU QD 1 89 GLY H . . 5.440 4.850 4.665 4.942 . 0 0 "[ . 1 . 2]" 1 1019 1 50 LEU QD 1 90 ILE HA . . 5.210 4.474 4.339 4.846 . 0 0 "[ . 1 . 2]" 1 1020 1 50 LEU QD 1 90 ILE HB . . 3.240 2.049 1.899 2.514 . 0 0 "[ . 1 . 2]" 1 1021 1 50 LEU QD 1 90 ILE MD . . 3.300 2.175 1.843 2.832 . 0 0 "[ . 1 . 2]" 1 1022 1 50 LEU QD 1 90 ILE QG . . 4.480 3.250 3.051 3.726 . 0 0 "[ . 1 . 2]" 1 1023 1 50 LEU QD 1 90 ILE HG13 . . 4.590 3.424 3.196 3.913 . 0 0 "[ . 1 . 2]" 1 1024 1 50 LEU QD 1 90 ILE MG . . 3.110 2.579 2.390 2.943 . 0 0 "[ . 1 . 2]" 1 1025 1 50 LEU QD 1 92 THR H . . 5.440 5.295 4.130 5.459 0.019 15 0 "[ . 1 . 2]" 1 1026 1 50 LEU QD 1 93 TRP HB2 . . 4.360 3.239 2.976 3.562 . 0 0 "[ . 1 . 2]" 1 1027 1 50 LEU QD 1 93 TRP QB . . 3.790 2.405 2.190 2.653 . 0 0 "[ . 1 . 2]" 1 1028 1 50 LEU QD 1 93 TRP HB3 . . 4.150 2.480 2.254 2.737 . 0 0 "[ . 1 . 2]" 1 1029 1 50 LEU QD 1 93 TRP HD1 . . 5.440 3.645 3.528 4.043 . 0 0 "[ . 1 . 2]" 1 1030 1 50 LEU QD 1 93 TRP HE1 . . 5.320 2.939 2.728 3.866 . 0 0 "[ . 1 . 2]" 1 1031 1 50 LEU QD 1 93 TRP HE3 . . 5.440 2.530 2.379 2.652 . 0 0 "[ . 1 . 2]" 1 1032 1 50 LEU QD 1 93 TRP HH2 . . 5.440 2.990 2.862 3.412 . 0 0 "[ . 1 . 2]" 1 1033 1 50 LEU QD 1 93 TRP HZ2 . . 5.440 2.737 2.551 3.543 . 0 0 "[ . 1 . 2]" 1 1034 1 50 LEU MD1 1 85 ALA HA . . 3.620 2.180 2.011 2.454 . 0 0 "[ . 1 . 2]" 1 1035 1 50 LEU MD1 1 88 MET ME . . 3.600 2.575 1.853 3.025 . 0 0 "[ . 1 . 2]" 1 1036 1 50 LEU MD2 1 85 ALA HA . . 3.620 3.247 1.961 3.574 . 0 0 "[ . 1 . 2]" 1 1037 1 50 LEU MD2 1 88 MET ME . . 3.600 3.061 1.927 3.235 . 0 0 "[ . 1 . 2]" 1 1038 1 50 LEU HG 1 88 MET ME . . 3.500 2.052 1.869 3.594 0.094 1 0 "[ . 1 . 2]" 1 1039 1 50 LEU HG 1 90 ILE MG . . 5.500 5.049 4.835 5.309 . 0 0 "[ . 1 . 2]" 1 1040 1 51 ALA H 1 51 ALA MB . . 3.010 2.047 2.037 2.058 . 0 0 "[ . 1 . 2]" 1 1041 1 51 ALA H 1 52 ALA H . . 3.560 2.554 2.540 2.592 . 0 0 "[ . 1 . 2]" 1 1042 1 51 ALA HA 1 54 ARG HB2 . . 3.790 3.603 3.410 3.761 . 0 0 "[ . 1 . 2]" 1 1043 1 51 ALA HA 1 54 ARG QB . . 3.310 2.215 2.141 2.321 . 0 0 "[ . 1 . 2]" 1 1044 1 51 ALA HA 1 54 ARG HB3 . . 3.830 2.236 2.164 2.348 . 0 0 "[ . 1 . 2]" 1 1045 1 51 ALA HA 1 54 ARG HD2 . . 5.500 5.316 5.148 5.485 . 0 0 "[ . 1 . 2]" 1 1046 1 51 ALA HA 1 54 ARG QD . . 4.730 3.732 3.517 3.919 . 0 0 "[ . 1 . 2]" 1 1047 1 51 ALA HA 1 54 ARG HD3 . . 4.850 3.812 3.580 4.017 . 0 0 "[ . 1 . 2]" 1 1048 1 51 ALA HA 1 54 ARG HE . . 4.930 4.411 4.276 4.564 . 0 0 "[ . 1 . 2]" 1 1049 1 51 ALA HA 1 54 ARG HG2 . . 5.500 3.742 3.611 3.940 . 0 0 "[ . 1 . 2]" 1 1050 1 51 ALA HA 1 93 TRP QB . . 5.180 4.916 4.769 4.985 . 0 0 "[ . 1 . 2]" 1 1051 1 51 ALA HA 1 93 TRP HD1 . . 3.810 2.664 2.547 2.733 . 0 0 "[ . 1 . 2]" 1 1052 1 51 ALA HA 1 93 TRP HE1 . . 4.950 2.090 1.970 2.260 . 0 0 "[ . 1 . 2]" 1 1053 1 51 ALA HA 1 93 TRP HZ2 . . 5.500 4.721 4.584 4.888 . 0 0 "[ . 1 . 2]" 1 1054 1 51 ALA MB 1 54 ARG QD . . 4.770 4.604 4.373 4.775 0.005 16 0 "[ . 1 . 2]" 1 1055 1 51 ALA MB 1 93 TRP HB2 . . 4.770 3.693 3.578 3.746 . 0 0 "[ . 1 . 2]" 1 1056 1 51 ALA MB 1 93 TRP QB . . 4.940 3.600 3.494 3.649 . 0 0 "[ . 1 . 2]" 1 1057 1 51 ALA MB 1 93 TRP HD1 . . 5.500 1.931 1.917 1.939 . 0 0 "[ . 1 . 2]" 1 1058 1 51 ALA MB 1 93 TRP HZ2 . . 5.500 5.597 5.571 5.672 0.172 1 0 "[ . 1 . 2]" 1 1059 1 52 ALA H 1 52 ALA MB . . 2.990 2.097 2.074 2.113 . 0 0 "[ . 1 . 2]" 1 1060 1 52 ALA H 1 53 ALA H . . 3.440 2.793 2.786 2.800 . 0 0 "[ . 1 . 2]" 1 1061 1 52 ALA H 1 53 ALA MB . . 4.510 4.392 4.380 4.398 . 0 0 "[ . 1 . 2]" 1 1062 1 52 ALA HA 1 55 ASP H . . 4.030 4.033 3.985 4.050 0.020 6 0 "[ . 1 . 2]" 1 1063 1 52 ALA HA 1 55 ASP QB . . 3.640 3.423 3.144 3.640 0.000 1 0 "[ . 1 . 2]" 1 1064 1 52 ALA MB 1 53 ALA H . . 3.410 2.560 2.548 2.572 . 0 0 "[ . 1 . 2]" 1 1065 1 52 ALA MB 1 53 ALA HA . . 4.390 3.757 3.742 3.769 . 0 0 "[ . 1 . 2]" 1 1066 1 52 ALA MB 1 54 ARG H . . 4.970 4.500 4.430 4.557 . 0 0 "[ . 1 . 2]" 1 1067 1 52 ALA MB 1 55 ASP QB . . 5.350 4.650 4.479 4.795 . 0 0 "[ . 1 . 2]" 1 1068 1 52 ALA MB 1 56 GLU H . . 5.260 4.767 4.683 4.852 . 0 0 "[ . 1 . 2]" 1 1069 1 53 ALA H 1 53 ALA MB . . 3.100 2.058 2.046 2.068 . 0 0 "[ . 1 . 2]" 1 1070 1 53 ALA H 1 54 ARG H . . 3.510 2.575 2.531 2.646 . 0 0 "[ . 1 . 2]" 1 1071 1 53 ALA H 1 54 ARG HB2 . . 5.500 5.283 5.216 5.344 . 0 0 "[ . 1 . 2]" 1 1072 1 53 ALA H 1 54 ARG QB . . 4.990 4.245 4.217 4.306 . 0 0 "[ . 1 . 2]" 1 1073 1 53 ALA H 1 54 ARG HB3 . . 5.500 4.473 4.440 4.547 . 0 0 "[ . 1 . 2]" 1 1074 1 53 ALA H 1 56 GLU HB3 . . 5.500 4.886 4.716 5.138 . 0 0 "[ . 1 . 2]" 1 1075 1 53 ALA HA 1 56 GLU H . . 4.190 3.484 3.374 3.597 . 0 0 "[ . 1 . 2]" 1 1076 1 53 ALA HA 1 56 GLU QB . . 3.970 2.348 2.181 2.577 . 0 0 "[ . 1 . 2]" 1 1077 1 53 ALA HA 1 56 GLU HB3 . . 3.380 2.390 2.210 2.627 . 0 0 "[ . 1 . 2]" 1 1078 1 53 ALA HA 1 56 GLU HG2 . . 5.500 4.760 3.880 5.251 . 0 0 "[ . 1 . 2]" 1 1079 1 53 ALA HA 1 56 GLU QG . . 4.830 4.115 3.583 4.590 . 0 0 "[ . 1 . 2]" 1 1080 1 53 ALA HA 1 56 GLU HG3 . . 5.500 4.589 4.063 5.238 . 0 0 "[ . 1 . 2]" 1 1081 1 53 ALA HA 1 57 PHE H . . 4.560 3.751 3.588 3.926 . 0 0 "[ . 1 . 2]" 1 1082 1 53 ALA HA 1 57 PHE QD . . 5.200 4.443 4.357 4.553 . 0 0 "[ . 1 . 2]" 1 1083 1 53 ALA MB 1 54 ARG H . . 3.550 2.673 2.608 2.751 . 0 0 "[ . 1 . 2]" 1 1084 1 53 ALA MB 1 54 ARG HA . . 4.490 3.714 3.679 3.749 . 0 0 "[ . 1 . 2]" 1 1085 1 53 ALA MB 1 56 GLU H . . 5.500 4.618 4.535 4.703 . 0 0 "[ . 1 . 2]" 1 1086 1 53 ALA MB 1 57 PHE H . . 4.840 4.306 4.228 4.392 . 0 0 "[ . 1 . 2]" 1 1087 1 53 ALA MB 1 57 PHE HB2 . . 5.500 4.725 4.609 4.825 . 0 0 "[ . 1 . 2]" 1 1088 1 53 ALA MB 1 57 PHE QD . . 3.890 3.142 3.001 3.250 . 0 0 "[ . 1 . 2]" 1 1089 1 54 ARG H 1 54 ARG HB2 . . 3.930 2.817 2.782 2.852 . 0 0 "[ . 1 . 2]" 1 1090 1 54 ARG H 1 54 ARG QB . . 3.350 2.174 2.160 2.189 . 0 0 "[ . 1 . 2]" 1 1091 1 54 ARG H 1 54 ARG HB3 . . 3.940 2.262 2.237 2.290 . 0 0 "[ . 1 . 2]" 1 1092 1 54 ARG H 1 54 ARG QD . . 4.940 4.452 4.442 4.466 . 0 0 "[ . 1 . 2]" 1 1093 1 54 ARG H 1 54 ARG HD3 . . 5.500 4.665 4.652 4.690 . 0 0 "[ . 1 . 2]" 1 1094 1 54 ARG H 1 54 ARG HG2 . . 5.250 4.255 4.219 4.294 . 0 0 "[ . 1 . 2]" 1 1095 1 54 ARG H 1 54 ARG HG3 . . 5.250 4.441 4.425 4.449 . 0 0 "[ . 1 . 2]" 1 1096 1 54 ARG H 1 57 PHE HB2 . . 5.500 5.278 5.130 5.396 . 0 0 "[ . 1 . 2]" 1 1097 1 54 ARG H 1 81 VAL QG . . 5.440 2.866 2.437 3.369 . 0 0 "[ . 1 . 2]" 1 1098 1 54 ARG HA 1 54 ARG HD2 . . 5.500 4.229 4.172 4.260 . 0 0 "[ . 1 . 2]" 1 1099 1 54 ARG HA 1 54 ARG HD3 . . 5.500 4.168 4.125 4.219 . 0 0 "[ . 1 . 2]" 1 1100 1 54 ARG HA 1 54 ARG HG3 . . 4.200 2.736 2.702 2.773 . 0 0 "[ . 1 . 2]" 1 1101 1 54 ARG HA 1 57 PHE H . . 4.470 3.806 3.650 3.945 . 0 0 "[ . 1 . 2]" 1 1102 1 54 ARG HA 1 57 PHE HB2 . . 3.790 3.104 2.839 3.316 . 0 0 "[ . 1 . 2]" 1 1103 1 54 ARG HA 1 57 PHE QD . . 4.100 2.678 2.328 2.980 . 0 0 "[ . 1 . 2]" 1 1104 1 54 ARG HA 1 57 PHE QE . . 5.500 4.448 4.190 4.653 . 0 0 "[ . 1 . 2]" 1 1105 1 54 ARG HA 1 73 MET ME . . 3.200 2.065 1.896 2.506 . 0 0 "[ . 1 . 2]" 1 1106 1 54 ARG HA 1 81 VAL QG . . 4.510 2.337 2.063 2.759 . 0 0 "[ . 1 . 2]" 1 1107 1 54 ARG QB 1 54 ARG QD . . 3.330 2.019 2.003 2.038 . 0 0 "[ . 1 . 2]" 1 1108 1 54 ARG QB 1 54 ARG HD3 . . 3.550 2.062 2.041 2.087 . 0 0 "[ . 1 . 2]" 1 1109 1 54 ARG QB 1 54 ARG HE . . 3.930 3.515 3.470 3.569 . 0 0 "[ . 1 . 2]" 1 1110 1 54 ARG QB 1 55 ASP H . . 3.480 2.513 2.462 2.578 . 0 0 "[ . 1 . 2]" 1 1111 1 54 ARG QB 1 56 GLU H . . 5.230 4.700 4.576 4.813 . 0 0 "[ . 1 . 2]" 1 1112 1 54 ARG QB 1 81 VAL QG . . 5.060 2.025 1.872 2.344 . 0 0 "[ . 1 . 2]" 1 1113 1 54 ARG QB 1 93 TRP HD1 . . 4.670 4.304 4.204 4.425 . 0 0 "[ . 1 . 2]" 1 1114 1 54 ARG QB 1 93 TRP HE1 . . 4.450 2.376 2.250 2.550 . 0 0 "[ . 1 . 2]" 1 1115 1 54 ARG QB 1 93 TRP HZ2 . . 4.670 2.740 2.431 3.111 . 0 0 "[ . 1 . 2]" 1 1116 1 54 ARG HB2 1 54 ARG HD3 . . 4.160 2.129 2.099 2.169 . 0 0 "[ . 1 . 2]" 1 1117 1 54 ARG HB2 1 54 ARG HE . . 4.440 4.210 4.166 4.243 . 0 0 "[ . 1 . 2]" 1 1118 1 54 ARG HB2 1 93 TRP HE1 . . 5.070 2.875 2.631 3.127 . 0 0 "[ . 1 . 2]" 1 1119 1 54 ARG HB3 1 54 ARG HD3 . . 4.110 2.754 2.718 2.784 . 0 0 "[ . 1 . 2]" 1 1120 1 54 ARG HB3 1 54 ARG HE . . 4.460 3.766 3.713 3.845 . 0 0 "[ . 1 . 2]" 1 1121 1 54 ARG HB3 1 93 TRP HE1 . . 5.120 2.538 2.393 2.728 . 0 0 "[ . 1 . 2]" 1 1122 1 54 ARG QD 1 55 ASP H . . 5.340 4.633 4.596 4.655 . 0 0 "[ . 1 . 2]" 1 1123 1 54 ARG QD 1 81 VAL QG . . 5.280 3.017 2.809 3.200 . 0 0 "[ . 1 . 2]" 1 1124 1 54 ARG QD 1 93 TRP HD1 . . 5.340 4.541 4.259 4.813 . 0 0 "[ . 1 . 2]" 1 1125 1 54 ARG QD 1 93 TRP HE1 . . 3.980 2.242 2.005 2.470 . 0 0 "[ . 1 . 2]" 1 1126 1 54 ARG HD2 1 55 ASP H . . 5.500 5.502 5.435 5.513 0.013 17 0 "[ . 1 . 2]" 1 1127 1 54 ARG HD2 1 81 VAL QG . . 5.440 3.627 3.479 3.783 . 0 0 "[ . 1 . 2]" 1 1128 1 54 ARG HD2 1 93 TRP HE1 . . 5.050 3.987 3.776 4.185 . 0 0 "[ . 1 . 2]" 1 1129 1 54 ARG HD3 1 93 TRP HE1 . . 4.160 2.254 2.012 2.488 . 0 0 "[ . 1 . 2]" 1 1130 1 54 ARG HE 1 54 ARG HG2 . . 3.860 2.097 2.090 2.110 . 0 0 "[ . 1 . 2]" 1 1131 1 54 ARG HE 1 54 ARG QG . . 3.570 2.070 2.065 2.079 . 0 0 "[ . 1 . 2]" 1 1132 1 54 ARG HE 1 55 ASP H . . 4.820 4.834 4.830 4.837 0.017 13 0 "[ . 1 . 2]" 1 1133 1 54 ARG HE 1 55 ASP HA . . 4.910 4.930 4.921 4.936 0.026 10 0 "[ . 1 . 2]" 1 1134 1 54 ARG HE 1 55 ASP QB . . 5.190 4.849 4.601 5.082 . 0 0 "[ . 1 . 2]" 1 1135 1 54 ARG QG 1 55 ASP QB . . 5.340 3.547 3.400 3.673 . 0 0 "[ . 1 . 2]" 1 1136 1 54 ARG HG2 1 55 ASP HA . . 4.480 3.382 3.357 3.404 . 0 0 "[ . 1 . 2]" 1 1137 1 54 ARG HG2 1 55 ASP QB . . 5.500 3.657 3.490 3.801 . 0 0 "[ . 1 . 2]" 1 1138 1 54 ARG HG2 1 56 GLU H . . 5.500 5.331 5.216 5.429 . 0 0 "[ . 1 . 2]" 1 1139 1 54 ARG HG2 1 93 TRP HD1 . . 5.500 5.548 5.539 5.560 0.060 12 0 "[ . 1 . 2]" 1 1140 1 54 ARG HG3 1 57 PHE HB2 . . 5.500 4.720 4.342 5.015 . 0 0 "[ . 1 . 2]" 1 1141 1 54 ARG HG3 1 73 MET ME . . 3.610 2.498 2.260 3.206 . 0 0 "[ . 1 . 2]" 1 1142 1 54 ARG HG3 1 93 TRP HE1 . . 5.380 4.504 4.408 4.615 . 0 0 "[ . 1 . 2]" 1 1143 1 55 ASP H 1 55 ASP QB . . 3.240 2.186 2.078 2.261 . 0 0 "[ . 1 . 2]" 1 1144 1 55 ASP H 1 57 PHE H . . 4.660 4.330 4.262 4.368 . 0 0 "[ . 1 . 2]" 1 1145 1 55 ASP HA 1 58 ARG H . . 4.270 3.457 3.421 3.503 . 0 0 "[ . 1 . 2]" 1 1146 1 55 ASP HA 1 58 ARG HB2 . . 4.580 2.716 2.365 3.072 . 0 0 "[ . 1 . 2]" 1 1147 1 55 ASP HA 1 58 ARG QB . . 4.210 2.569 2.338 2.758 . 0 0 "[ . 1 . 2]" 1 1148 1 55 ASP HA 1 58 ARG HB3 . . 4.580 3.308 3.065 3.871 . 0 0 "[ . 1 . 2]" 1 1149 1 55 ASP HA 1 58 ARG HD2 . . 5.500 4.597 3.674 5.462 . 0 0 "[ . 1 . 2]" 1 1150 1 55 ASP HA 1 58 ARG QD . . 4.650 4.046 2.248 4.571 . 0 0 "[ . 1 . 2]" 1 1151 1 55 ASP HA 1 58 ARG HD3 . . 5.500 4.927 2.261 5.513 0.013 10 0 "[ . 1 . 2]" 1 1152 1 55 ASP HA 1 58 ARG HE . . 5.500 3.282 2.644 4.370 . 0 0 "[ . 1 . 2]" 1 1153 1 55 ASP QB 1 56 GLU H . . 3.630 2.588 2.447 2.740 . 0 0 "[ . 1 . 2]" 1 1154 1 55 ASP QB 1 56 GLU HB2 . . 5.500 4.255 4.066 4.487 . 0 0 "[ . 1 . 2]" 1 1155 1 55 ASP QB 1 56 GLU QB . . 5.340 3.965 3.841 4.138 . 0 0 "[ . 1 . 2]" 1 1156 1 55 ASP QB 1 58 ARG QB . . 5.340 4.274 4.150 4.428 . 0 0 "[ . 1 . 2]" 1 1157 1 55 ASP QB 1 58 ARG HE . . 5.500 4.802 4.389 5.503 0.003 2 0 "[ . 1 . 2]" 1 1158 1 56 GLU H 1 56 GLU HB2 . . 3.660 2.603 2.508 2.716 . 0 0 "[ . 1 . 2]" 1 1159 1 56 GLU H 1 56 GLU QB . . 3.210 2.236 2.220 2.248 . 0 0 "[ . 1 . 2]" 1 1160 1 56 GLU H 1 56 GLU HB3 . . 3.660 2.448 2.355 2.538 . 0 0 "[ . 1 . 2]" 1 1161 1 56 GLU H 1 56 GLU HG2 . . 4.830 4.476 4.417 4.614 . 0 0 "[ . 1 . 2]" 1 1162 1 56 GLU H 1 56 GLU QG . . 4.150 3.995 3.970 4.045 . 0 0 "[ . 1 . 2]" 1 1163 1 56 GLU H 1 56 GLU HG3 . . 4.820 4.502 4.353 4.630 . 0 0 "[ . 1 . 2]" 1 1164 1 56 GLU H 1 57 PHE H . . 3.690 2.779 2.681 2.807 . 0 0 "[ . 1 . 2]" 1 1165 1 56 GLU H 1 57 PHE HB2 . . 5.070 4.854 4.703 4.943 . 0 0 "[ . 1 . 2]" 1 1166 1 56 GLU HA 1 56 GLU HG2 . . 3.980 2.987 2.560 3.826 . 0 0 "[ . 1 . 2]" 1 1167 1 56 GLU HA 1 56 GLU QG . . 3.390 2.676 2.511 3.197 . 0 0 "[ . 1 . 2]" 1 1168 1 56 GLU HA 1 56 GLU HG3 . . 3.980 3.218 2.761 3.658 . 0 0 "[ . 1 . 2]" 1 1169 1 56 GLU QB 1 57 PHE H . . 4.120 2.444 2.363 2.539 . 0 0 "[ . 1 . 2]" 1 1170 1 56 GLU HB3 1 57 PHE H . . 3.310 2.471 2.388 2.572 . 0 0 "[ . 1 . 2]" 1 1171 1 56 GLU HB3 1 57 PHE HB2 . . 5.500 4.774 4.676 4.886 . 0 0 "[ . 1 . 2]" 1 1172 1 56 GLU QG 1 57 PHE H . . 5.340 3.561 3.146 3.911 . 0 0 "[ . 1 . 2]" 1 1173 1 56 GLU QG 1 57 PHE QD . . 5.160 3.973 3.015 4.631 . 0 0 "[ . 1 . 2]" 1 1174 1 56 GLU QG 1 58 ARG H . . 5.340 5.032 4.820 5.310 . 0 0 "[ . 1 . 2]" 1 1175 1 57 PHE H 1 57 PHE HB2 . . 3.720 2.436 2.358 2.512 . 0 0 "[ . 1 . 2]" 1 1176 1 57 PHE H 1 57 PHE HB3 . . 4.100 3.583 3.569 3.591 . 0 0 "[ . 1 . 2]" 1 1177 1 57 PHE H 1 57 PHE QD . . 4.160 3.228 3.136 3.286 . 0 0 "[ . 1 . 2]" 1 1178 1 57 PHE H 1 73 MET ME . . 5.500 4.237 3.831 4.887 . 0 0 "[ . 1 . 2]" 1 1179 1 57 PHE H 1 81 VAL QG . . 5.440 4.874 4.538 5.304 . 0 0 "[ . 1 . 2]" 1 1180 1 57 PHE HA 1 57 PHE QD . . 3.140 1.958 1.934 1.972 . 0 0 "[ . 1 . 2]" 1 1181 1 57 PHE HA 1 60 ALA H . . 4.390 3.123 3.064 3.215 . 0 0 "[ . 1 . 2]" 1 1182 1 57 PHE HA 1 60 ALA MB . . 3.360 2.551 2.339 2.897 . 0 0 "[ . 1 . 2]" 1 1183 1 57 PHE HA 1 77 HIS HB2 . . 5.500 4.896 4.728 5.115 . 0 0 "[ . 1 . 2]" 1 1184 1 57 PHE HB2 1 58 ARG H . . 3.990 2.927 2.827 3.015 . 0 0 "[ . 1 . 2]" 1 1185 1 57 PHE HB2 1 58 ARG QB . . 5.340 4.409 4.319 4.518 . 0 0 "[ . 1 . 2]" 1 1186 1 57 PHE HB2 1 59 GLN H . . 5.500 5.197 5.119 5.307 . 0 0 "[ . 1 . 2]" 1 1187 1 57 PHE HB2 1 73 MET ME . . 3.320 2.562 2.002 3.279 . 0 0 "[ . 1 . 2]" 1 1188 1 57 PHE HB2 1 81 VAL QG . . 5.440 3.863 3.445 4.394 . 0 0 "[ . 1 . 2]" 1 1189 1 57 PHE HB3 1 58 ARG H . . 3.990 3.822 3.668 3.922 . 0 0 "[ . 1 . 2]" 1 1190 1 57 PHE HB3 1 58 ARG HA . . 5.410 4.462 4.323 4.557 . 0 0 "[ . 1 . 2]" 1 1191 1 57 PHE HB3 1 60 ALA H . . 5.450 4.859 4.666 5.004 . 0 0 "[ . 1 . 2]" 1 1192 1 57 PHE HB3 1 60 ALA MB . . 4.560 3.646 3.473 3.850 . 0 0 "[ . 1 . 2]" 1 1193 1 57 PHE HB3 1 73 MET HA . . 4.650 4.566 4.316 4.672 0.022 6 0 "[ . 1 . 2]" 1 1194 1 57 PHE QD 1 58 ARG H . . 5.110 4.558 4.516 4.605 . 0 0 "[ . 1 . 2]" 1 1195 1 57 PHE QD 1 60 ALA MB . . 4.170 3.190 2.925 3.421 . 0 0 "[ . 1 . 2]" 1 1196 1 57 PHE QD 1 73 MET HB2 . . 5.500 4.553 4.222 4.730 . 0 0 "[ . 1 . 2]" 1 1197 1 57 PHE QD 1 73 MET QB . . 4.780 4.225 3.952 4.377 . 0 0 "[ . 1 . 2]" 1 1198 1 57 PHE QD 1 73 MET HB3 . . 5.500 5.014 4.529 5.181 . 0 0 "[ . 1 . 2]" 1 1199 1 57 PHE QD 1 73 MET ME . . 3.410 2.699 2.068 3.084 . 0 0 "[ . 1 . 2]" 1 1200 1 57 PHE QD 1 73 MET HG3 . . 5.500 5.403 4.963 5.519 0.019 10 0 "[ . 1 . 2]" 1 1201 1 57 PHE QD 1 77 HIS HA . . 4.420 4.305 4.074 4.426 0.006 8 0 "[ . 1 . 2]" 1 1202 1 57 PHE QD 1 77 HIS HB2 . . 4.390 4.117 4.007 4.207 . 0 0 "[ . 1 . 2]" 1 1203 1 57 PHE QD 1 77 HIS HD2 . . 5.170 3.762 2.737 4.712 . 0 0 "[ . 1 . 2]" 1 1204 1 57 PHE QD 1 78 TYR H . . 5.500 5.544 5.516 5.569 0.069 7 0 "[ . 1 . 2]" 1 1205 1 57 PHE QD 1 80 ALA MB . . 4.530 3.959 3.667 4.238 . 0 0 "[ . 1 . 2]" 1 1206 1 57 PHE QD 1 81 VAL H . . 4.750 3.839 3.507 4.203 . 0 0 "[ . 1 . 2]" 1 1207 1 57 PHE QD 1 81 VAL HA . . 5.240 4.357 4.076 4.665 . 0 0 "[ . 1 . 2]" 1 1208 1 57 PHE QD 1 81 VAL QG . . 4.010 2.586 1.968 3.179 . 0 0 "[ . 1 . 2]" 1 1209 1 57 PHE QE 1 73 MET ME . . 4.780 4.373 3.698 4.622 . 0 0 "[ . 1 . 2]" 1 1210 1 57 PHE QE 1 77 HIS HB2 . . 5.460 5.457 5.389 5.492 0.032 12 0 "[ . 1 . 2]" 1 1211 1 57 PHE QE 1 77 HIS HB3 . . 5.250 4.029 3.951 4.080 . 0 0 "[ . 1 . 2]" 1 1212 1 57 PHE QE 1 81 VAL H . . 4.800 3.204 2.773 3.788 . 0 0 "[ . 1 . 2]" 1 1213 1 57 PHE QE 1 81 VAL QG . . 5.220 2.866 2.121 3.527 . 0 0 "[ . 1 . 2]" 1 1214 1 58 ARG H 1 58 ARG HB2 . . 4.160 2.318 2.064 2.515 . 0 0 "[ . 1 . 2]" 1 1215 1 58 ARG H 1 58 ARG QB . . 3.480 2.188 2.045 2.247 . 0 0 "[ . 1 . 2]" 1 1216 1 58 ARG H 1 58 ARG HB3 . . 4.160 2.774 2.530 3.314 . 0 0 "[ . 1 . 2]" 1 1217 1 58 ARG H 1 58 ARG QD . . 4.850 4.460 3.284 4.779 . 0 0 "[ . 1 . 2]" 1 1218 1 58 ARG H 1 59 GLN H . . 4.000 2.722 2.703 2.745 . 0 0 "[ . 1 . 2]" 1 1219 1 58 ARG H 1 73 MET ME . . 4.710 3.929 3.420 4.715 0.005 18 0 "[ . 1 . 2]" 1 1220 1 58 ARG HA 1 58 ARG HD2 . . 5.500 4.312 3.449 4.730 . 0 0 "[ . 1 . 2]" 1 1221 1 58 ARG HA 1 58 ARG HD3 . . 5.500 4.379 3.193 4.894 . 0 0 "[ . 1 . 2]" 1 1222 1 58 ARG HA 1 58 ARG HE . . 5.200 4.777 4.358 5.230 0.030 13 0 "[ . 1 . 2]" 1 1223 1 58 ARG HA 1 60 ALA H . . 4.940 4.358 4.137 4.453 . 0 0 "[ . 1 . 2]" 1 1224 1 58 ARG HA 1 61 ASP H . . 4.860 3.811 3.599 3.905 . 0 0 "[ . 1 . 2]" 1 1225 1 58 ARG HA 1 61 ASP QB . . 5.340 4.691 3.920 4.848 . 0 0 "[ . 1 . 2]" 1 1226 1 58 ARG HA 1 73 MET HA . . 4.290 2.982 2.694 3.464 . 0 0 "[ . 1 . 2]" 1 1227 1 58 ARG HA 1 73 MET HB2 . . 5.270 4.177 3.843 4.598 . 0 0 "[ . 1 . 2]" 1 1228 1 58 ARG HA 1 73 MET QB . . 4.460 3.234 2.890 3.866 . 0 0 "[ . 1 . 2]" 1 1229 1 58 ARG HA 1 73 MET HB3 . . 5.500 3.382 2.988 4.157 . 0 0 "[ . 1 . 2]" 1 1230 1 58 ARG QB 1 58 ARG QD . . 3.180 2.165 1.964 2.399 . 0 0 "[ . 1 . 2]" 1 1231 1 58 ARG QB 1 58 ARG HE . . 4.050 2.569 1.989 3.135 . 0 0 "[ . 1 . 2]" 1 1232 1 58 ARG HB2 1 58 ARG HE . . 4.530 2.772 2.047 3.414 . 0 0 "[ . 1 . 2]" 1 1233 1 58 ARG HB3 1 58 ARG HE . . 4.530 3.113 2.641 3.897 . 0 0 "[ . 1 . 2]" 1 1234 1 58 ARG QD 1 59 GLN H . . 5.340 4.539 4.046 5.369 0.029 9 0 "[ . 1 . 2]" 1 1235 1 58 ARG QD 1 72 ASP QB . . 4.040 2.994 1.749 3.745 . 0 0 "[ . 1 . 2]" 1 1236 1 58 ARG HE 1 72 ASP HB2 . . 4.850 4.188 3.232 4.851 0.001 1 0 "[ . 1 . 2]" 1 1237 1 58 ARG HE 1 72 ASP QB . . 3.940 3.422 2.740 3.963 0.023 14 0 "[ . 1 . 2]" 1 1238 1 58 ARG HE 1 72 ASP HB3 . . 4.850 3.864 2.787 4.851 0.001 5 0 "[ . 1 . 2]" 1 1239 1 58 ARG QG 1 72 ASP QB . . 4.960 2.221 1.913 3.092 . 0 0 "[ . 1 . 2]" 1 1240 1 59 GLN H 1 59 GLN QB . . 3.180 2.252 2.214 2.326 . 0 0 "[ . 1 . 2]" 1 1241 1 59 GLN H 1 59 GLN QG . . 4.060 3.860 2.495 4.056 . 0 0 "[ . 1 . 2]" 1 1242 1 59 GLN H 1 60 ALA H . . 3.530 2.484 2.461 2.540 . 0 0 "[ . 1 . 2]" 1 1243 1 59 GLN H 1 60 ALA MB . . 4.370 4.158 4.130 4.225 . 0 0 "[ . 1 . 2]" 1 1244 1 59 GLN HA 1 59 GLN HE21 . . 5.500 4.059 2.835 4.956 . 0 0 "[ . 1 . 2]" 1 1245 1 59 GLN HA 1 59 GLN HE22 . . 5.500 5.121 3.382 5.683 0.183 20 0 "[ . 1 . 2]" 1 1246 1 59 GLN HA 1 59 GLN QG . . 3.560 2.689 2.271 3.444 . 0 0 "[ . 1 . 2]" 1 1247 1 59 GLN QB 1 60 ALA H . . 3.480 2.809 2.583 3.505 0.025 10 0 "[ . 1 . 2]" 1 1248 1 59 GLN QE 1 60 ALA HA . . 5.340 3.075 2.138 5.396 0.056 20 0 "[ . 1 . 2]" 1 1249 1 59 GLN QE 1 60 ALA MB . . 5.340 3.839 2.179 5.328 . 0 0 "[ . 1 . 2]" 1 1250 1 59 GLN QG 1 60 ALA H . . 4.370 3.715 2.050 4.052 . 0 0 "[ . 1 . 2]" 1 1251 1 59 GLN QG 1 61 ASP H . . 5.500 5.373 4.630 5.567 0.067 6 0 "[ . 1 . 2]" 1 1252 1 60 ALA H 1 60 ALA MB . . 2.940 2.221 2.178 2.234 . 0 0 "[ . 1 . 2]" 1 1253 1 60 ALA H 1 61 ASP QB . . 5.340 5.060 4.956 5.275 . 0 0 "[ . 1 . 2]" 1 1254 1 60 ALA H 1 62 LYS H . . 4.820 4.230 4.098 4.306 . 0 0 "[ . 1 . 2]" 1 1255 1 60 ALA HA 1 62 LYS H . . 4.160 3.788 3.753 3.905 . 0 0 "[ . 1 . 2]" 1 1256 1 60 ALA MB 1 61 ASP H . . 3.440 2.429 2.394 2.480 . 0 0 "[ . 1 . 2]" 1 1257 1 60 ALA MB 1 61 ASP HA . . 4.770 3.923 3.897 3.959 . 0 0 "[ . 1 . 2]" 1 1258 1 60 ALA MB 1 61 ASP QB . . 5.060 3.558 3.421 4.115 . 0 0 "[ . 1 . 2]" 1 1259 1 60 ALA MB 1 74 SER H . . 5.500 4.780 4.564 5.121 . 0 0 "[ . 1 . 2]" 1 1260 1 60 ALA MB 1 74 SER QB . . 5.490 4.330 3.867 5.114 . 0 0 "[ . 1 . 2]" 1 1261 1 60 ALA MB 1 77 HIS HB2 . . 5.500 4.665 4.476 5.016 . 0 0 "[ . 1 . 2]" 1 1262 1 61 ASP H 1 61 ASP HB2 . . 3.950 3.628 2.761 3.705 . 0 0 "[ . 1 . 2]" 1 1263 1 61 ASP H 1 61 ASP QB . . 3.470 2.610 2.558 2.809 . 0 0 "[ . 1 . 2]" 1 1264 1 61 ASP H 1 61 ASP HB3 . . 3.950 2.717 2.611 3.672 . 0 0 "[ . 1 . 2]" 1 1265 1 61 ASP H 1 62 LYS H . . 3.300 2.930 2.848 2.960 . 0 0 "[ . 1 . 2]" 1 1266 1 61 ASP H 1 64 LEU QD . . 4.900 4.533 4.003 4.827 . 0 0 "[ . 1 . 2]" 1 1267 1 61 ASP H 1 73 MET HA . . 4.810 4.465 4.244 4.814 0.004 18 0 "[ . 1 . 2]" 1 1268 1 61 ASP H 1 74 SER H . . 5.500 4.187 3.997 4.473 . 0 0 "[ . 1 . 2]" 1 1269 1 61 ASP H 1 77 HIS HB2 . . 5.500 5.571 5.526 5.671 0.171 7 0 "[ . 1 . 2]" 1 1270 1 61 ASP HA 1 64 LEU H . . 4.690 3.357 3.112 3.504 . 0 0 "[ . 1 . 2]" 1 1271 1 61 ASP HA 1 64 LEU QD . . 3.820 2.499 1.872 2.872 . 0 0 "[ . 1 . 2]" 1 1272 1 61 ASP HA 1 64 LEU HG . . 4.260 2.597 2.375 4.335 0.075 20 0 "[ . 1 . 2]" 1 1273 1 61 ASP HA 1 69 LYS QE . . 5.340 4.844 4.485 5.351 0.011 17 0 "[ . 1 . 2]" 1 1274 1 61 ASP HA 1 74 SER QB . . 4.460 3.744 3.571 4.207 . 0 0 "[ . 1 . 2]" 1 1275 1 61 ASP QB 1 62 LYS H . . 4.220 4.038 3.845 4.052 . 0 0 "[ . 1 . 2]" 1 1276 1 61 ASP QB 1 64 LEU H . . 4.940 3.989 3.907 4.051 . 0 0 "[ . 1 . 2]" 1 1277 1 61 ASP QB 1 64 LEU HB2 . . 4.480 3.007 2.374 3.283 . 0 0 "[ . 1 . 2]" 1 1278 1 61 ASP QB 1 64 LEU QB . . 4.700 2.952 2.329 3.213 . 0 0 "[ . 1 . 2]" 1 1279 1 61 ASP QB 1 64 LEU HB3 . . 5.180 4.302 3.367 4.575 . 0 0 "[ . 1 . 2]" 1 1280 1 61 ASP QB 1 64 LEU QD . . 3.650 1.960 1.890 2.142 . 0 0 "[ . 1 . 2]" 1 1281 1 61 ASP QB 1 69 LYS HB2 . . 5.000 3.971 3.706 4.180 . 0 0 "[ . 1 . 2]" 1 1282 1 61 ASP QB 1 69 LYS HB3 . . 5.340 3.426 3.196 3.793 . 0 0 "[ . 1 . 2]" 1 1283 1 61 ASP QB 1 69 LYS HD3 . . 5.340 4.181 3.236 4.742 . 0 0 "[ . 1 . 2]" 1 1284 1 61 ASP QB 1 73 MET HA . . 3.770 3.570 2.891 3.719 . 0 0 "[ . 1 . 2]" 1 1285 1 61 ASP QB 1 74 SER H . . 3.970 2.382 2.229 2.645 . 0 0 "[ . 1 . 2]" 1 1286 1 61 ASP HB2 1 62 LYS H . . 4.800 4.506 4.142 4.544 . 0 0 "[ . 1 . 2]" 1 1287 1 61 ASP HB2 1 73 MET HA . . 4.330 4.210 2.936 4.344 0.014 1 0 "[ . 1 . 2]" 1 1288 1 61 ASP HB2 1 74 SER H . . 4.830 3.190 2.780 3.378 . 0 0 "[ . 1 . 2]" 1 1289 1 61 ASP HB3 1 62 LYS H . . 4.800 4.563 4.537 4.626 . 0 0 "[ . 1 . 2]" 1 1290 1 61 ASP HB3 1 73 MET HA . . 4.330 3.912 3.765 4.337 0.007 11 0 "[ . 1 . 2]" 1 1291 1 61 ASP HB3 1 74 SER H . . 4.830 2.485 2.279 3.316 . 0 0 "[ . 1 . 2]" 1 1292 1 62 LYS H 1 62 LYS HB2 . . 3.580 2.683 2.402 3.610 0.030 18 0 "[ . 1 . 2]" 1 1293 1 62 LYS H 1 62 LYS QB . . 3.090 2.286 2.237 2.442 . 0 0 "[ . 1 . 2]" 1 1294 1 62 LYS H 1 62 LYS HB3 . . 3.580 2.527 2.365 2.724 . 0 0 "[ . 1 . 2]" 1 1295 1 62 LYS H 1 62 LYS QD . . 5.500 4.306 3.678 4.590 . 0 0 "[ . 1 . 2]" 1 1296 1 62 LYS H 1 62 LYS HG2 . . 4.650 4.328 2.314 4.627 . 0 0 "[ . 1 . 2]" 1 1297 1 62 LYS H 1 62 LYS HG3 . . 4.650 4.339 2.372 4.649 . 0 0 "[ . 1 . 2]" 1 1298 1 62 LYS H 1 63 LYS H . . 3.910 2.431 2.409 2.592 . 0 0 "[ . 1 . 2]" 1 1299 1 62 LYS H 1 64 LEU MD1 . . 5.500 4.871 3.598 5.241 . 0 0 "[ . 1 . 2]" 1 1300 1 62 LYS H 1 64 LEU QD . . 5.440 4.542 3.523 4.776 . 0 0 "[ . 1 . 2]" 1 1301 1 62 LYS H 1 64 LEU MD2 . . 5.500 5.459 5.024 5.507 0.007 6 0 "[ . 1 . 2]" 1 1302 1 62 LYS HA 1 62 LYS HG2 . . 4.210 3.223 2.241 4.228 0.018 9 0 "[ . 1 . 2]" 1 1303 1 62 LYS HA 1 62 LYS QG . . 3.690 2.565 2.211 3.430 . 0 0 "[ . 1 . 2]" 1 1304 1 62 LYS HA 1 62 LYS HG3 . . 4.210 2.900 2.420 3.722 . 0 0 "[ . 1 . 2]" 1 1305 1 62 LYS HA 1 64 LEU H . . 4.470 3.923 3.828 4.118 . 0 0 "[ . 1 . 2]" 1 1306 1 62 LYS QB 1 63 LYS H . . 4.410 2.829 2.424 3.510 . 0 0 "[ . 1 . 2]" 1 1307 1 63 LYS H 1 63 LYS QB . . 3.190 2.252 2.227 2.677 . 0 0 "[ . 1 . 2]" 1 1308 1 63 LYS H 1 63 LYS QD . . 5.500 4.145 3.985 4.270 . 0 0 "[ . 1 . 2]" 1 1309 1 63 LYS H 1 63 LYS QE . . 4.950 4.360 4.058 4.961 0.011 11 0 "[ . 1 . 2]" 1 1310 1 63 LYS H 1 63 LYS QG . . 4.470 3.935 2.046 4.036 . 0 0 "[ . 1 . 2]" 1 1311 1 63 LYS H 1 64 LEU H . . 3.470 2.501 2.474 2.513 . 0 0 "[ . 1 . 2]" 1 1312 1 63 LYS H 1 64 LEU HB2 . . 5.230 5.086 4.479 5.164 . 0 0 "[ . 1 . 2]" 1 1313 1 63 LYS H 1 64 LEU QB . . 5.090 4.831 4.358 4.888 . 0 0 "[ . 1 . 2]" 1 1314 1 63 LYS H 1 64 LEU MD1 . . 5.500 4.757 3.162 4.942 . 0 0 "[ . 1 . 2]" 1 1315 1 63 LYS H 1 64 LEU QD . . 5.010 3.953 3.141 4.054 . 0 0 "[ . 1 . 2]" 1 1316 1 63 LYS H 1 64 LEU MD2 . . 5.500 4.317 4.135 5.391 . 0 0 "[ . 1 . 2]" 1 1317 1 63 LYS HA 1 63 LYS QG . . 3.470 2.538 2.481 3.330 . 0 0 "[ . 1 . 2]" 1 1318 1 63 LYS QB 1 64 LEU H . . 3.260 3.029 2.996 3.567 0.307 13 0 "[ . 1 . 2]" 1 1319 1 63 LYS QD 1 64 LEU H . . 3.690 3.465 3.354 3.665 . 0 0 "[ . 1 . 2]" 1 1320 1 63 LYS QD 1 64 LEU HA . . 4.020 3.189 2.933 3.823 . 0 0 "[ . 1 . 2]" 1 1321 1 63 LYS QE 1 64 LEU H . . 4.640 4.176 3.786 4.374 . 0 0 "[ . 1 . 2]" 1 1322 1 63 LYS QE 1 64 LEU QD . . 5.060 2.223 1.948 3.163 . 0 0 "[ . 1 . 2]" 1 1323 1 63 LYS QG 1 64 LEU H . . 4.180 4.076 2.181 4.182 0.002 7 0 "[ . 1 . 2]" 1 1324 1 64 LEU H 1 64 LEU HB2 . . 3.790 2.751 2.256 2.810 . 0 0 "[ . 1 . 2]" 1 1325 1 64 LEU H 1 64 LEU QB . . 3.440 2.669 2.231 2.720 . 0 0 "[ . 1 . 2]" 1 1326 1 64 LEU H 1 64 LEU HB3 . . 4.120 3.615 3.534 3.629 . 0 0 "[ . 1 . 2]" 1 1327 1 64 LEU H 1 64 LEU MD1 . . 4.190 3.462 1.898 3.623 . 0 0 "[ . 1 . 2]" 1 1328 1 64 LEU H 1 64 LEU QD . . 3.680 2.834 1.893 2.915 . 0 0 "[ . 1 . 2]" 1 1329 1 64 LEU H 1 64 LEU MD2 . . 4.200 3.094 2.969 3.850 . 0 0 "[ . 1 . 2]" 1 1330 1 64 LEU H 1 64 LEU HG . . 4.020 2.056 1.945 3.813 . 0 0 "[ . 1 . 2]" 1 1331 1 64 LEU H 1 65 PRO HD2 . . 4.940 4.791 4.771 4.800 . 0 0 "[ . 1 . 2]" 1 1332 1 64 LEU H 1 65 PRO QD . . 4.820 4.374 4.354 4.378 . 0 0 "[ . 1 . 2]" 1 1333 1 64 LEU H 1 69 LYS HE2 . . 5.500 4.368 4.071 5.444 . 0 0 "[ . 1 . 2]" 1 1334 1 64 LEU H 1 69 LYS QE . . 4.860 4.128 3.901 4.616 . 0 0 "[ . 1 . 2]" 1 1335 1 64 LEU H 1 69 LYS HE3 . . 5.500 5.151 4.830 5.502 0.002 4 0 "[ . 1 . 2]" 1 1336 1 64 LEU HA 1 64 LEU MD1 . . 4.520 3.915 2.708 3.993 . 0 0 "[ . 1 . 2]" 1 1337 1 64 LEU HA 1 64 LEU QD . . 3.490 2.246 2.148 2.652 . 0 0 "[ . 1 . 2]" 1 1338 1 64 LEU HA 1 64 LEU MD2 . . 4.320 2.313 2.157 3.785 . 0 0 "[ . 1 . 2]" 1 1339 1 64 LEU HA 1 65 PRO HD2 . . 3.250 2.391 2.376 2.402 . 0 0 "[ . 1 . 2]" 1 1340 1 64 LEU HA 1 65 PRO QD . . 2.760 2.085 2.077 2.092 . 0 0 "[ . 1 . 2]" 1 1341 1 64 LEU HA 1 65 PRO HD3 . . 3.070 2.297 2.291 2.301 . 0 0 "[ . 1 . 2]" 1 1342 1 64 LEU HA 1 68 ASP HB2 . . 5.500 4.758 4.165 5.433 . 0 0 "[ . 1 . 2]" 1 1343 1 64 LEU HA 1 68 ASP QB . . 4.800 4.175 3.970 4.298 . 0 0 "[ . 1 . 2]" 1 1344 1 64 LEU HA 1 68 ASP HB3 . . 5.500 4.954 4.123 5.515 0.015 20 0 "[ . 1 . 2]" 1 1345 1 64 LEU HB2 1 65 PRO HD2 . . 4.160 3.289 3.215 3.758 . 0 0 "[ . 1 . 2]" 1 1346 1 64 LEU HB2 1 65 PRO QD . . 4.070 3.206 3.140 3.628 . 0 0 "[ . 1 . 2]" 1 1347 1 64 LEU HB2 1 69 LYS HE2 . . 5.300 2.963 2.683 4.229 . 0 0 "[ . 1 . 2]" 1 1348 1 64 LEU HB2 1 69 LYS QE . . 4.620 2.864 2.599 3.807 . 0 0 "[ . 1 . 2]" 1 1349 1 64 LEU HB3 1 65 PRO HD2 . . 4.160 2.002 1.975 2.198 . 0 0 "[ . 1 . 2]" 1 1350 1 64 LEU HB3 1 65 PRO QD . . 3.730 1.988 1.962 2.180 . 0 0 "[ . 1 . 2]" 1 1351 1 64 LEU HB3 1 68 ASP HB2 . . 4.590 3.287 2.641 4.074 . 0 0 "[ . 1 . 2]" 1 1352 1 64 LEU HB3 1 68 ASP QB . . 3.950 2.635 2.404 2.855 . 0 0 "[ . 1 . 2]" 1 1353 1 64 LEU HB3 1 68 ASP HB3 . . 4.590 3.069 2.429 3.643 . 0 0 "[ . 1 . 2]" 1 1354 1 64 LEU QD 1 65 PRO HD2 . . 3.720 3.153 3.081 3.296 . 0 0 "[ . 1 . 2]" 1 1355 1 64 LEU QD 1 65 PRO QD . . 3.540 2.988 2.928 3.170 . 0 0 "[ . 1 . 2]" 1 1356 1 64 LEU QD 1 65 PRO HD3 . . 5.020 3.706 3.642 4.117 . 0 0 "[ . 1 . 2]" 1 1357 1 64 LEU QD 1 68 ASP QB . . 4.270 3.283 2.751 3.447 . 0 0 "[ . 1 . 2]" 1 1358 1 64 LEU QD 1 73 MET HA . . 5.440 5.445 5.403 5.474 0.034 17 0 "[ . 1 . 2]" 1 1359 1 64 LEU QD 1 74 SER H . . 4.540 4.246 4.118 4.375 . 0 0 "[ . 1 . 2]" 1 1360 1 64 LEU QD 1 74 SER HA . . 4.290 3.657 3.168 4.070 . 0 0 "[ . 1 . 2]" 1 1361 1 64 LEU QD 1 74 SER QB . . 3.440 2.320 1.998 2.626 . 0 0 "[ . 1 . 2]" 1 1362 1 64 LEU QD 1 75 ILE H . . 5.420 4.693 4.143 5.148 . 0 0 "[ . 1 . 2]" 1 1363 1 64 LEU MD1 1 68 ASP HB2 . . 5.500 4.487 3.918 5.214 . 0 0 "[ . 1 . 2]" 1 1364 1 64 LEU MD1 1 68 ASP HB3 . . 5.500 3.798 3.494 5.425 . 0 0 "[ . 1 . 2]" 1 1365 1 64 LEU MD2 1 68 ASP HB2 . . 5.500 4.731 3.352 5.374 . 0 0 "[ . 1 . 2]" 1 1366 1 64 LEU MD2 1 68 ASP HB3 . . 5.500 4.357 2.952 4.701 . 0 0 "[ . 1 . 2]" 1 1367 1 64 LEU HG 1 74 SER QB . . 5.500 4.534 4.123 4.962 . 0 0 "[ . 1 . 2]" 1 1368 1 65 PRO HA 1 66 ALA H . . 2.990 2.319 2.236 2.412 . 0 0 "[ . 1 . 2]" 1 1369 1 65 PRO HA 1 66 ALA MB . . 4.250 4.061 3.998 4.124 . 0 0 "[ . 1 . 2]" 1 1370 1 65 PRO HA 1 68 ASP HB2 . . 5.500 5.191 4.835 5.617 0.117 18 0 "[ . 1 . 2]" 1 1371 1 65 PRO HA 1 68 ASP QB . . 5.340 4.768 4.680 4.869 . 0 0 "[ . 1 . 2]" 1 1372 1 65 PRO HB2 1 66 ALA H . . 4.000 2.839 2.583 3.092 . 0 0 "[ . 1 . 2]" 1 1373 1 65 PRO HB2 1 66 ALA MB . . 4.720 4.171 4.008 4.281 . 0 0 "[ . 1 . 2]" 1 1374 1 65 PRO HB2 1 67 LYS H . . 4.540 2.420 2.335 2.477 . 0 0 "[ . 1 . 2]" 1 1375 1 65 PRO HB2 1 68 ASP H . . 4.310 3.001 2.955 3.048 . 0 0 "[ . 1 . 2]" 1 1376 1 65 PRO HB3 1 66 ALA H . . 4.070 3.576 3.438 3.719 . 0 0 "[ . 1 . 2]" 1 1377 1 65 PRO HB3 1 67 LYS H . . 4.260 4.108 4.027 4.144 . 0 0 "[ . 1 . 2]" 1 1378 1 65 PRO QD 1 68 ASP QB . . 4.090 2.206 1.993 2.314 . 0 0 "[ . 1 . 2]" 1 1379 1 65 PRO HD2 1 68 ASP QB . . 4.180 2.223 2.003 2.336 . 0 0 "[ . 1 . 2]" 1 1380 1 65 PRO HG2 1 68 ASP H . . 3.720 2.377 2.246 2.469 . 0 0 "[ . 1 . 2]" 1 1381 1 65 PRO HG2 1 68 ASP HA . . 4.690 4.115 4.068 4.143 . 0 0 "[ . 1 . 2]" 1 1382 1 65 PRO HG2 1 68 ASP HB2 . . 4.370 1.968 1.934 1.989 . 0 0 "[ . 1 . 2]" 1 1383 1 65 PRO HG2 1 68 ASP QB . . 3.860 1.935 1.866 1.978 . 0 0 "[ . 1 . 2]" 1 1384 1 65 PRO HG2 1 68 ASP HB3 . . 4.410 3.103 2.445 3.523 . 0 0 "[ . 1 . 2]" 1 1385 1 65 PRO HG3 1 68 ASP H . . 4.940 4.062 3.951 4.152 . 0 0 "[ . 1 . 2]" 1 1386 1 66 ALA H 1 66 ALA MB . . 2.870 2.120 2.024 2.238 . 0 0 "[ . 1 . 2]" 1 1387 1 66 ALA H 1 69 LYS HE2 . . 5.500 5.080 3.520 5.499 . 0 0 "[ . 1 . 2]" 1 1388 1 66 ALA H 1 69 LYS HE3 . . 5.500 3.635 3.329 5.161 . 0 0 "[ . 1 . 2]" 1 1389 1 66 ALA HA 1 68 ASP H . . 4.220 4.053 4.009 4.112 . 0 0 "[ . 1 . 2]" 1 1390 1 66 ALA HA 1 69 LYS HB2 . . 4.900 4.694 4.672 4.784 . 0 0 "[ . 1 . 2]" 1 1391 1 66 ALA HA 1 69 LYS HB3 . . 5.130 4.236 4.070 4.279 . 0 0 "[ . 1 . 2]" 1 1392 1 66 ALA HA 1 69 LYS QD . . 4.700 2.474 2.236 2.719 . 0 0 "[ . 1 . 2]" 1 1393 1 66 ALA HA 1 69 LYS HD3 . . 4.810 3.820 3.685 4.010 . 0 0 "[ . 1 . 2]" 1 1394 1 66 ALA HA 1 69 LYS HE2 . . 3.890 3.575 1.994 3.890 . 0 0 "[ . 1 . 2]" 1 1395 1 66 ALA HA 1 69 LYS HE3 . . 3.890 2.279 1.995 3.549 . 0 0 "[ . 1 . 2]" 1 1396 1 66 ALA MB 1 69 LYS H . . 5.500 4.883 4.833 4.941 . 0 0 "[ . 1 . 2]" 1 1397 1 66 ALA MB 1 69 LYS QE . . 4.920 3.519 3.221 3.764 . 0 0 "[ . 1 . 2]" 1 1398 1 67 LYS H 1 67 LYS HB2 . . 3.700 3.589 3.583 3.597 . 0 0 "[ . 1 . 2]" 1 1399 1 67 LYS H 1 67 LYS QB . . 3.010 2.401 2.379 2.452 . 0 0 "[ . 1 . 2]" 1 1400 1 67 LYS H 1 67 LYS HB3 . . 3.700 2.439 2.415 2.495 . 0 0 "[ . 1 . 2]" 1 1401 1 67 LYS H 1 67 LYS QD . . 3.680 3.357 3.005 3.681 0.001 8 0 "[ . 1 . 2]" 1 1402 1 67 LYS H 1 67 LYS QG . . 3.070 2.331 2.179 2.409 . 0 0 "[ . 1 . 2]" 1 1403 1 67 LYS H 1 68 ASP H . . 3.810 2.535 2.484 2.561 . 0 0 "[ . 1 . 2]" 1 1404 1 67 LYS H 1 68 ASP QB . . 5.340 4.494 4.380 4.571 . 0 0 "[ . 1 . 2]" 1 1405 1 67 LYS H 1 69 LYS H . . 4.970 4.406 4.353 4.425 . 0 0 "[ . 1 . 2]" 1 1406 1 67 LYS HA 1 67 LYS QG . . 3.480 3.331 3.329 3.339 . 0 0 "[ . 1 . 2]" 1 1407 1 67 LYS HA 1 69 LYS H . . 3.850 3.563 3.554 3.590 . 0 0 "[ . 1 . 2]" 1 1408 1 67 LYS QD 1 68 ASP HA . . 5.450 5.437 5.413 5.451 0.001 19 0 "[ . 1 . 2]" 1 1409 1 67 LYS QG 1 68 ASP H . . 4.010 2.185 2.047 2.317 . 0 0 "[ . 1 . 2]" 1 1410 1 67 LYS QG 1 68 ASP HA . . 4.170 3.453 3.361 3.502 . 0 0 "[ . 1 . 2]" 1 1411 1 67 LYS QG 1 68 ASP QB . . 4.960 3.148 2.775 3.443 . 0 0 "[ . 1 . 2]" 1 1412 1 67 LYS HG2 1 68 ASP H . . 4.630 2.246 2.067 2.478 . 0 0 "[ . 1 . 2]" 1 1413 1 67 LYS HG2 1 68 ASP HA . . 4.980 4.194 3.950 4.572 . 0 0 "[ . 1 . 2]" 1 1414 1 67 LYS HG3 1 68 ASP H . . 4.630 3.111 2.783 3.333 . 0 0 "[ . 1 . 2]" 1 1415 1 67 LYS HG3 1 68 ASP HA . . 4.980 3.702 3.480 3.913 . 0 0 "[ . 1 . 2]" 1 1416 1 68 ASP H 1 68 ASP HB2 . . 3.840 2.487 2.394 2.621 . 0 0 "[ . 1 . 2]" 1 1417 1 68 ASP H 1 68 ASP QB . . 3.270 2.366 2.349 2.399 . 0 0 "[ . 1 . 2]" 1 1418 1 68 ASP H 1 68 ASP HB3 . . 3.930 3.247 2.658 3.640 . 0 0 "[ . 1 . 2]" 1 1419 1 68 ASP H 1 69 LYS H . . 3.330 2.923 2.904 2.943 . 0 0 "[ . 1 . 2]" 1 1420 1 68 ASP H 1 69 LYS HG2 . . 5.500 3.508 3.444 3.782 . 0 0 "[ . 1 . 2]" 1 1421 1 68 ASP H 1 69 LYS QG . . 5.250 3.437 3.377 3.710 . 0 0 "[ . 1 . 2]" 1 1422 1 68 ASP H 1 69 LYS HG3 . . 5.500 4.948 4.512 5.367 . 0 0 "[ . 1 . 2]" 1 1423 1 68 ASP HA 1 75 ILE MD . . 4.370 3.636 2.285 4.380 0.010 10 0 "[ . 1 . 2]" 1 1424 1 68 ASP QB 1 69 LYS H . . 4.100 3.812 3.799 3.826 . 0 0 "[ . 1 . 2]" 1 1425 1 68 ASP QB 1 75 ILE MD . . 5.340 4.284 2.996 5.062 . 0 0 "[ . 1 . 2]" 1 1426 1 68 ASP HB2 1 69 LYS H . . 4.760 4.304 4.139 4.548 . 0 0 "[ . 1 . 2]" 1 1427 1 68 ASP HB3 1 69 LYS H . . 4.820 4.302 4.107 4.438 . 0 0 "[ . 1 . 2]" 1 1428 1 69 LYS H 1 69 LYS QE . . 5.340 4.507 4.343 4.980 . 0 0 "[ . 1 . 2]" 1 1429 1 69 LYS H 1 69 LYS QG . . 4.270 2.655 2.606 2.723 . 0 0 "[ . 1 . 2]" 1 1430 1 69 LYS H 1 70 LYS H . . 5.010 4.230 4.207 4.379 . 0 0 "[ . 1 . 2]" 1 1431 1 69 LYS HA 1 69 LYS HD3 . . 5.500 4.578 4.391 4.649 . 0 0 "[ . 1 . 2]" 1 1432 1 69 LYS HA 1 69 LYS QE . . 5.340 4.635 4.393 5.407 0.067 17 0 "[ . 1 . 2]" 1 1433 1 69 LYS HA 1 69 LYS QG . . 3.740 3.342 3.328 3.343 . 0 0 "[ . 1 . 2]" 1 1434 1 69 LYS HA 1 70 LYS H . . 3.250 2.223 2.195 2.546 . 0 0 "[ . 1 . 2]" 1 1435 1 69 LYS HA 1 70 LYS HB2 . . 5.400 4.459 4.173 4.630 . 0 0 "[ . 1 . 2]" 1 1436 1 69 LYS HA 1 70 LYS HB3 . . 5.480 4.696 4.469 5.184 . 0 0 "[ . 1 . 2]" 1 1437 1 69 LYS HA 1 73 MET H . . 5.250 4.500 4.057 4.871 . 0 0 "[ . 1 . 2]" 1 1438 1 69 LYS HA 1 74 SER HA . . 3.850 2.422 2.232 2.777 . 0 0 "[ . 1 . 2]" 1 1439 1 69 LYS HA 1 74 SER QB . . 4.900 4.272 3.915 4.581 . 0 0 "[ . 1 . 2]" 1 1440 1 69 LYS HA 1 75 ILE H . . 4.370 3.245 2.915 3.760 . 0 0 "[ . 1 . 2]" 1 1441 1 69 LYS HA 1 75 ILE MD . . 3.840 2.709 2.348 3.231 . 0 0 "[ . 1 . 2]" 1 1442 1 69 LYS HA 1 75 ILE QG . . 5.090 3.764 3.309 4.257 . 0 0 "[ . 1 . 2]" 1 1443 1 69 LYS HA 1 75 ILE HG13 . . 5.500 3.862 3.371 4.383 . 0 0 "[ . 1 . 2]" 1 1444 1 69 LYS HB2 1 69 LYS HE2 . . 5.310 3.406 3.147 4.399 . 0 0 "[ . 1 . 2]" 1 1445 1 69 LYS HB2 1 69 LYS HE3 . . 5.310 4.229 4.078 4.429 . 0 0 "[ . 1 . 2]" 1 1446 1 69 LYS HB2 1 70 LYS H . . 4.050 2.970 2.176 3.077 . 0 0 "[ . 1 . 2]" 1 1447 1 69 LYS HB2 1 72 ASP H . . 5.500 4.484 3.956 4.688 . 0 0 "[ . 1 . 2]" 1 1448 1 69 LYS HB2 1 72 ASP HA . . 5.500 4.089 3.605 4.306 . 0 0 "[ . 1 . 2]" 1 1449 1 69 LYS HB2 1 73 MET H . . 4.230 2.768 2.390 2.998 . 0 0 "[ . 1 . 2]" 1 1450 1 69 LYS HB2 1 73 MET HA . . 5.480 3.412 3.248 3.758 . 0 0 "[ . 1 . 2]" 1 1451 1 69 LYS HB2 1 74 SER H . . 5.490 3.679 3.429 4.070 . 0 0 "[ . 1 . 2]" 1 1452 1 69 LYS HB2 1 74 SER HA . . 4.880 2.976 2.820 3.402 . 0 0 "[ . 1 . 2]" 1 1453 1 69 LYS HB3 1 69 LYS HE2 . . 5.310 2.508 2.105 3.740 . 0 0 "[ . 1 . 2]" 1 1454 1 69 LYS HB3 1 69 LYS QE . . 5.120 2.437 2.087 3.431 . 0 0 "[ . 1 . 2]" 1 1455 1 69 LYS HB3 1 69 LYS HE3 . . 5.310 3.429 3.081 3.992 . 0 0 "[ . 1 . 2]" 1 1456 1 69 LYS HB3 1 70 LYS H . . 4.940 4.082 3.651 4.202 . 0 0 "[ . 1 . 2]" 1 1457 1 69 LYS HB3 1 72 ASP HA . . 5.500 5.262 4.750 5.456 . 0 0 "[ . 1 . 2]" 1 1458 1 69 LYS HB3 1 73 MET H . . 4.990 4.502 4.141 4.706 . 0 0 "[ . 1 . 2]" 1 1459 1 69 LYS HB3 1 73 MET HA . . 5.500 4.586 4.402 4.919 . 0 0 "[ . 1 . 2]" 1 1460 1 69 LYS HB3 1 74 SER H . . 5.500 4.319 3.994 4.804 . 0 0 "[ . 1 . 2]" 1 1461 1 69 LYS HB3 1 74 SER HA . . 5.500 3.052 2.814 3.556 . 0 0 "[ . 1 . 2]" 1 1462 1 69 LYS HB3 1 75 ILE H . . 5.500 4.905 4.598 5.514 0.014 10 0 "[ . 1 . 2]" 1 1463 1 69 LYS QD 1 72 ASP H . . 5.230 4.105 3.054 4.552 . 0 0 "[ . 1 . 2]" 1 1464 1 69 LYS QD 1 72 ASP HA . . 4.270 2.306 1.937 2.785 . 0 0 "[ . 1 . 2]" 1 1465 1 69 LYS QD 1 73 MET H . . 5.340 3.141 2.390 3.540 . 0 0 "[ . 1 . 2]" 1 1466 1 69 LYS QD 1 73 MET HA . . 5.340 3.371 2.887 3.980 . 0 0 "[ . 1 . 2]" 1 1467 1 69 LYS HD2 1 72 ASP H . . 5.500 4.803 3.522 5.404 . 0 0 "[ . 1 . 2]" 1 1468 1 69 LYS HD2 1 72 ASP HA . . 5.150 2.537 2.019 3.207 . 0 0 "[ . 1 . 2]" 1 1469 1 69 LYS HD3 1 72 ASP H . . 5.500 4.470 3.348 4.913 . 0 0 "[ . 1 . 2]" 1 1470 1 69 LYS HD3 1 72 ASP HA . . 5.150 2.747 2.105 3.057 . 0 0 "[ . 1 . 2]" 1 1471 1 69 LYS HD3 1 73 MET H . . 5.070 3.245 2.424 3.670 . 0 0 "[ . 1 . 2]" 1 1472 1 69 LYS HD3 1 73 MET HA . . 5.500 3.424 2.925 4.055 . 0 0 "[ . 1 . 2]" 1 1473 1 69 LYS HD3 1 74 SER H . . 5.500 4.585 4.160 5.213 . 0 0 "[ . 1 . 2]" 1 1474 1 69 LYS QE 1 69 LYS QG . . 3.310 2.180 2.004 2.339 . 0 0 "[ . 1 . 2]" 1 1475 1 69 LYS QE 1 72 ASP HA . . 5.180 4.382 3.649 4.911 . 0 0 "[ . 1 . 2]" 1 1476 1 69 LYS QG 1 70 LYS H . . 5.050 3.879 3.200 3.975 . 0 0 "[ . 1 . 2]" 1 1477 1 69 LYS QG 1 72 ASP H . . 5.340 4.271 2.907 4.781 . 0 0 "[ . 1 . 2]" 1 1478 1 69 LYS QG 1 73 MET H . . 5.340 3.556 3.129 3.848 . 0 0 "[ . 1 . 2]" 1 1479 1 69 LYS HG2 1 70 LYS H . . 5.260 4.994 4.434 5.097 . 0 0 "[ . 1 . 2]" 1 1480 1 69 LYS HG2 1 73 MET H . . 5.290 5.024 4.733 5.292 0.002 10 0 "[ . 1 . 2]" 1 1481 1 69 LYS HG3 1 70 LYS H . . 5.420 4.044 3.282 4.151 . 0 0 "[ . 1 . 2]" 1 1482 1 69 LYS HG3 1 73 MET H . . 4.700 3.639 3.174 4.009 . 0 0 "[ . 1 . 2]" 1 1483 1 70 LYS H 1 70 LYS HB2 . . 4.010 2.692 2.198 3.241 . 0 0 "[ . 1 . 2]" 1 1484 1 70 LYS H 1 70 LYS HB3 . . 4.000 2.556 2.350 2.988 . 0 0 "[ . 1 . 2]" 1 1485 1 70 LYS H 1 70 LYS QE . . 5.370 4.523 4.260 4.935 . 0 0 "[ . 1 . 2]" 1 1486 1 70 LYS H 1 70 LYS HG2 . . 5.500 4.542 4.077 5.036 . 0 0 "[ . 1 . 2]" 1 1487 1 70 LYS H 1 70 LYS HG3 . . 5.500 4.403 4.285 4.615 . 0 0 "[ . 1 . 2]" 1 1488 1 70 LYS H 1 73 MET H . . 3.660 3.418 2.732 3.596 . 0 0 "[ . 1 . 2]" 1 1489 1 70 LYS H 1 73 MET HA . . 5.440 5.083 4.339 5.206 . 0 0 "[ . 1 . 2]" 1 1490 1 70 LYS H 1 73 MET QB . . 5.340 5.041 4.664 5.173 . 0 0 "[ . 1 . 2]" 1 1491 1 70 LYS H 1 73 MET HG2 . . 5.500 3.893 3.044 4.221 . 0 0 "[ . 1 . 2]" 1 1492 1 70 LYS H 1 74 SER HA . . 4.390 3.423 2.967 3.780 . 0 0 "[ . 1 . 2]" 1 1493 1 70 LYS H 1 74 SER QB . . 5.460 5.225 4.807 5.475 0.015 7 0 "[ . 1 . 2]" 1 1494 1 70 LYS H 1 75 ILE MD . . 4.450 3.602 3.119 4.451 0.001 10 0 "[ . 1 . 2]" 1 1495 1 70 LYS HA 1 70 LYS HD2 . . 5.310 3.772 3.602 4.044 . 0 0 "[ . 1 . 2]" 1 1496 1 70 LYS HA 1 70 LYS QD . . 4.710 2.279 1.989 2.983 . 0 0 "[ . 1 . 2]" 1 1497 1 70 LYS HA 1 70 LYS HD3 . . 5.350 2.307 1.998 3.072 . 0 0 "[ . 1 . 2]" 1 1498 1 70 LYS HA 1 70 LYS QG . . 3.580 2.890 2.378 3.106 . 0 0 "[ . 1 . 2]" 1 1499 1 70 LYS HA 1 71 SER H . . 3.080 2.143 2.139 2.165 . 0 0 "[ . 1 . 2]" 1 1500 1 70 LYS HA 1 75 ILE MD . . 5.500 5.082 4.382 5.531 0.031 7 0 "[ . 1 . 2]" 1 1501 1 70 LYS HB2 1 70 LYS QE . . 4.780 2.529 2.002 3.852 . 0 0 "[ . 1 . 2]" 1 1502 1 70 LYS HB2 1 71 SER H . . 5.500 4.356 4.233 4.598 . 0 0 "[ . 1 . 2]" 1 1503 1 70 LYS HB2 1 75 ILE HA . . 5.500 4.124 3.049 4.666 . 0 0 "[ . 1 . 2]" 1 1504 1 70 LYS HB2 1 78 TYR QE . . 5.500 4.798 4.293 5.174 . 0 0 "[ . 1 . 2]" 1 1505 1 70 LYS HB3 1 70 LYS QE . . 5.130 3.489 3.394 3.735 . 0 0 "[ . 1 . 2]" 1 1506 1 70 LYS HB3 1 71 SER H . . 5.500 4.287 4.015 4.433 . 0 0 "[ . 1 . 2]" 1 1507 1 70 LYS HB3 1 73 MET H . . 5.500 4.271 4.033 4.713 . 0 0 "[ . 1 . 2]" 1 1508 1 70 LYS HB3 1 73 MET QB . . 5.340 5.277 5.053 5.426 0.086 10 0 "[ . 1 . 2]" 1 1509 1 70 LYS HB3 1 73 MET HG2 . . 5.250 3.527 3.000 4.639 . 0 0 "[ . 1 . 2]" 1 1510 1 70 LYS HB3 1 73 MET HG3 . . 5.500 3.989 3.797 4.605 . 0 0 "[ . 1 . 2]" 1 1511 1 70 LYS HB3 1 75 ILE HA . . 5.370 4.032 3.635 4.402 . 0 0 "[ . 1 . 2]" 1 1512 1 70 LYS HB3 1 78 TYR H . . 5.500 5.499 5.385 5.547 0.047 6 0 "[ . 1 . 2]" 1 1513 1 70 LYS HB3 1 78 TYR HB2 . . 4.610 3.319 3.131 3.486 . 0 0 "[ . 1 . 2]" 1 1514 1 70 LYS HB3 1 78 TYR HB3 . . 5.120 4.193 3.921 4.404 . 0 0 "[ . 1 . 2]" 1 1515 1 70 LYS HB3 1 78 TYR QD . . 4.660 2.506 1.997 2.907 . 0 0 "[ . 1 . 2]" 1 1516 1 70 LYS HB3 1 78 TYR QE . . 5.500 3.604 3.142 3.947 . 0 0 "[ . 1 . 2]" 1 1517 1 70 LYS QD 1 71 SER H . . 4.760 2.533 2.142 3.127 . 0 0 "[ . 1 . 2]" 1 1518 1 70 LYS QD 1 71 SER QB . . 5.340 3.116 2.185 3.905 . 0 0 "[ . 1 . 2]" 1 1519 1 70 LYS QD 1 72 ASP H . . 5.340 4.898 4.245 5.278 . 0 0 "[ . 1 . 2]" 1 1520 1 70 LYS QD 1 78 TYR QE . . 4.640 3.705 2.859 4.255 . 0 0 "[ . 1 . 2]" 1 1521 1 70 LYS HD2 1 71 SER H . . 5.360 3.991 3.720 4.466 . 0 0 "[ . 1 . 2]" 1 1522 1 70 LYS HD2 1 78 TYR QD . . 5.500 5.190 4.511 5.501 0.001 20 0 "[ . 1 . 2]" 1 1523 1 70 LYS HD2 1 78 TYR QE . . 5.460 4.064 3.460 4.561 . 0 0 "[ . 1 . 2]" 1 1524 1 70 LYS HD3 1 71 SER H . . 5.410 2.565 2.155 3.193 . 0 0 "[ . 1 . 2]" 1 1525 1 70 LYS HD3 1 71 SER QB . . 5.500 3.356 2.202 4.333 . 0 0 "[ . 1 . 2]" 1 1526 1 70 LYS HD3 1 72 ASP H . . 5.500 5.134 4.332 5.500 . 0 0 "[ . 1 . 2]" 1 1527 1 70 LYS HD3 1 78 TYR QD . . 5.500 4.979 3.607 5.497 . 0 0 "[ . 1 . 2]" 1 1528 1 70 LYS HD3 1 78 TYR QE . . 5.460 4.394 3.011 5.092 . 0 0 "[ . 1 . 2]" 1 1529 1 70 LYS QE 1 75 ILE MD . . 5.500 5.188 4.248 5.518 0.018 17 0 "[ . 1 . 2]" 1 1530 1 70 LYS QE 1 78 TYR QE . . 5.270 4.799 4.340 5.272 0.002 10 0 "[ . 1 . 2]" 1 1531 1 70 LYS QG 1 71 SER H . . 4.800 3.517 3.190 4.039 . 0 0 "[ . 1 . 2]" 1 1532 1 70 LYS QG 1 71 SER QB . . 5.340 2.902 2.337 4.380 . 0 0 "[ . 1 . 2]" 1 1533 1 70 LYS QG 1 78 TYR QD . . 4.540 3.174 2.811 3.899 . 0 0 "[ . 1 . 2]" 1 1534 1 70 LYS QG 1 78 TYR QE . . 4.560 2.721 1.940 4.077 . 0 0 "[ . 1 . 2]" 1 1535 1 70 LYS HG2 1 71 SER H . . 5.500 4.590 3.946 4.907 . 0 0 "[ . 1 . 2]" 1 1536 1 70 LYS HG2 1 78 TYR QD . . 5.420 3.902 3.153 5.143 . 0 0 "[ . 1 . 2]" 1 1537 1 70 LYS HG2 1 78 TYR QE . . 5.400 3.565 2.486 5.346 . 0 0 "[ . 1 . 2]" 1 1538 1 70 LYS HG3 1 71 SER H . . 5.500 3.846 3.241 5.109 . 0 0 "[ . 1 . 2]" 1 1539 1 70 LYS HG3 1 78 TYR QD . . 5.420 3.383 3.106 4.038 . 0 0 "[ . 1 . 2]" 1 1540 1 70 LYS HG3 1 78 TYR QE . . 5.400 2.842 2.025 4.229 . 0 0 "[ . 1 . 2]" 1 1541 1 71 SER H 1 71 SER QB . . 3.260 3.078 3.002 3.107 . 0 0 "[ . 1 . 2]" 1 1542 1 71 SER HA 1 73 MET H . . 5.390 4.966 4.279 5.109 . 0 0 "[ . 1 . 2]" 1 1543 1 71 SER QB 1 73 MET QB . . 5.340 4.734 3.590 4.882 . 0 0 "[ . 1 . 2]" 1 1544 1 71 SER QB 1 73 MET ME . . 5.500 4.928 3.438 5.200 . 0 0 "[ . 1 . 2]" 1 1545 1 71 SER QB 1 78 TYR QD . . 4.270 3.765 2.892 4.270 0.000 18 0 "[ . 1 . 2]" 1 1546 1 71 SER QB 1 78 TYR QE . . 4.090 3.021 2.026 3.783 . 0 0 "[ . 1 . 2]" 1 1547 1 72 ASP H 1 73 MET H . . 4.230 2.016 1.894 2.602 . 0 0 "[ . 1 . 2]" 1 1548 1 72 ASP H 1 73 MET HG2 . . 5.200 2.973 2.677 4.873 . 0 0 "[ . 1 . 2]" 1 1549 1 73 MET H 1 73 MET QB . . 3.650 3.209 2.992 3.269 . 0 0 "[ . 1 . 2]" 1 1550 1 73 MET H 1 73 MET HB3 . . 4.000 3.408 3.093 3.518 . 0 0 "[ . 1 . 2]" 1 1551 1 73 MET H 1 73 MET ME . . 5.100 4.765 4.592 4.852 . 0 0 "[ . 1 . 2]" 1 1552 1 73 MET H 1 73 MET HG2 . . 4.940 2.308 2.238 2.823 . 0 0 "[ . 1 . 2]" 1 1553 1 73 MET H 1 73 MET HG3 . . 4.670 3.782 3.389 4.257 . 0 0 "[ . 1 . 2]" 1 1554 1 73 MET H 1 74 SER H . . 5.440 4.321 4.228 4.360 . 0 0 "[ . 1 . 2]" 1 1555 1 73 MET H 1 74 SER HA . . 5.500 4.789 4.695 4.848 . 0 0 "[ . 1 . 2]" 1 1556 1 73 MET HA 1 73 MET ME . . 4.470 4.098 3.989 4.406 . 0 0 "[ . 1 . 2]" 1 1557 1 73 MET QB 1 74 SER H . . 3.870 2.779 2.625 3.015 . 0 0 "[ . 1 . 2]" 1 1558 1 73 MET QB 1 77 HIS HA . . 5.340 5.310 5.087 5.350 0.010 7 0 "[ . 1 . 2]" 1 1559 1 73 MET QB 1 77 HIS HB3 . . 4.070 3.595 3.369 3.769 . 0 0 "[ . 1 . 2]" 1 1560 1 73 MET QB 1 78 TYR H . . 5.140 3.798 3.628 4.244 . 0 0 "[ . 1 . 2]" 1 1561 1 73 MET QB 1 78 TYR HA . . 5.340 3.869 3.695 4.131 . 0 0 "[ . 1 . 2]" 1 1562 1 73 MET QB 1 78 TYR HB2 . . 5.340 3.848 3.606 4.354 . 0 0 "[ . 1 . 2]" 1 1563 1 73 MET QB 1 78 TYR QD . . 5.340 4.048 3.985 4.417 . 0 0 "[ . 1 . 2]" 1 1564 1 73 MET QB 1 81 VAL QG . . 5.280 3.848 3.544 4.017 . 0 0 "[ . 1 . 2]" 1 1565 1 73 MET HB2 1 74 SER H . . 4.440 2.840 2.671 3.118 . 0 0 "[ . 1 . 2]" 1 1566 1 73 MET HB2 1 77 HIS HA . . 5.500 5.489 5.267 5.532 0.032 7 0 "[ . 1 . 2]" 1 1567 1 73 MET HB2 1 77 HIS HB3 . . 4.190 3.681 3.422 3.865 . 0 0 "[ . 1 . 2]" 1 1568 1 73 MET HB2 1 78 TYR H . . 5.280 3.875 3.693 4.409 . 0 0 "[ . 1 . 2]" 1 1569 1 73 MET HB2 1 78 TYR HB2 . . 5.140 3.993 3.717 4.727 . 0 0 "[ . 1 . 2]" 1 1570 1 73 MET HB2 1 81 VAL QG . . 5.440 4.207 3.820 4.418 . 0 0 "[ . 1 . 2]" 1 1571 1 73 MET HB3 1 74 SER H . . 4.400 3.957 3.846 4.171 . 0 0 "[ . 1 . 2]" 1 1572 1 73 MET HB3 1 78 TYR QD . . 5.500 4.699 4.624 5.096 . 0 0 "[ . 1 . 2]" 1 1573 1 73 MET ME 1 73 MET HG3 . . 3.470 2.602 2.367 2.711 . 0 0 "[ . 1 . 2]" 1 1574 1 73 MET ME 1 74 SER H . . 5.110 4.816 4.615 5.115 0.005 3 0 "[ . 1 . 2]" 1 1575 1 73 MET ME 1 78 TYR H . . 5.430 4.134 3.651 4.297 . 0 0 "[ . 1 . 2]" 1 1576 1 73 MET ME 1 78 TYR HA . . 4.120 2.644 2.295 2.844 . 0 0 "[ . 1 . 2]" 1 1577 1 73 MET ME 1 78 TYR HB2 . . 5.500 4.030 3.789 4.235 . 0 0 "[ . 1 . 2]" 1 1578 1 73 MET ME 1 78 TYR QD . . 4.950 3.848 3.396 4.105 . 0 0 "[ . 1 . 2]" 1 1579 1 73 MET ME 1 80 ALA H . . 5.500 5.480 4.855 5.528 0.028 20 0 "[ . 1 . 2]" 1 1580 1 73 MET ME 1 81 VAL H . . 4.670 4.063 3.536 4.150 . 0 0 "[ . 1 . 2]" 1 1581 1 73 MET ME 1 81 VAL HB . . 3.990 2.875 2.280 3.233 . 0 0 "[ . 1 . 2]" 1 1582 1 73 MET ME 1 81 VAL MG1 . . 3.480 2.072 1.897 2.581 . 0 0 "[ . 1 . 2]" 1 1583 1 73 MET ME 1 81 VAL QG . . 3.010 1.830 1.681 1.928 . 0 0 "[ . 1 . 2]" 1 1584 1 73 MET ME 1 81 VAL MG2 . . 3.480 2.385 1.703 2.897 . 0 0 "[ . 1 . 2]" 1 1585 1 73 MET ME 1 82 HIS H . . 5.500 4.903 4.604 5.142 . 0 0 "[ . 1 . 2]" 1 1586 1 73 MET ME 1 93 TRP HE1 . . 5.500 5.193 4.601 5.532 0.032 10 0 "[ . 1 . 2]" 1 1587 1 73 MET HG2 1 74 SER H . . 5.500 4.550 3.968 4.954 . 0 0 "[ . 1 . 2]" 1 1588 1 73 MET HG2 1 78 TYR HA . . 4.700 4.348 3.819 4.733 0.033 10 0 "[ . 1 . 2]" 1 1589 1 73 MET HG2 1 78 TYR QD . . 5.210 2.439 2.267 3.186 . 0 0 "[ . 1 . 2]" 1 1590 1 73 MET HG2 1 78 TYR QE . . 5.500 4.113 3.715 4.764 . 0 0 "[ . 1 . 2]" 1 1591 1 73 MET HG3 1 74 SER H . . 5.500 4.257 3.583 4.573 . 0 0 "[ . 1 . 2]" 1 1592 1 73 MET HG3 1 78 TYR H . . 5.500 3.342 2.646 3.902 . 0 0 "[ . 1 . 2]" 1 1593 1 73 MET HG3 1 78 TYR HA . . 4.600 2.735 2.501 3.117 . 0 0 "[ . 1 . 2]" 1 1594 1 73 MET HG3 1 78 TYR QD . . 5.100 2.295 2.133 3.414 . 0 0 "[ . 1 . 2]" 1 1595 1 73 MET HG3 1 78 TYR QE . . 5.500 4.441 4.075 5.534 0.034 7 0 "[ . 1 . 2]" 1 1596 1 73 MET HG3 1 81 VAL QG . . 5.440 3.684 3.584 3.785 . 0 0 "[ . 1 . 2]" 1 1597 1 74 SER H 1 75 ILE H . . 5.500 4.624 4.608 4.637 . 0 0 "[ . 1 . 2]" 1 1598 1 74 SER H 1 77 HIS HB2 . . 5.140 3.112 2.831 3.289 . 0 0 "[ . 1 . 2]" 1 1599 1 74 SER H 1 77 HIS HB3 . . 5.060 4.616 4.321 4.815 . 0 0 "[ . 1 . 2]" 1 1600 1 74 SER H 1 78 TYR H . . 5.500 4.520 4.401 4.648 . 0 0 "[ . 1 . 2]" 1 1601 1 74 SER HA 1 75 ILE H . . 3.250 2.280 2.204 2.430 . 0 0 "[ . 1 . 2]" 1 1602 1 74 SER HA 1 76 ALA H . . 4.610 4.140 3.988 4.389 . 0 0 "[ . 1 . 2]" 1 1603 1 74 SER HA 1 77 HIS HB2 . . 5.500 4.977 4.788 5.168 . 0 0 "[ . 1 . 2]" 1 1604 1 74 SER QB 1 75 ILE H . . 4.080 3.333 2.370 3.605 . 0 0 "[ . 1 . 2]" 1 1605 1 74 SER QB 1 75 ILE HB . . 5.500 5.091 4.240 5.301 . 0 0 "[ . 1 . 2]" 1 1606 1 74 SER QB 1 76 ALA H . . 4.510 3.410 2.820 3.633 . 0 0 "[ . 1 . 2]" 1 1607 1 74 SER QB 1 76 ALA MB . . 4.320 3.517 3.048 3.827 . 0 0 "[ . 1 . 2]" 1 1608 1 74 SER QB 1 78 TYR H . . 5.060 4.388 4.077 4.761 . 0 0 "[ . 1 . 2]" 1 1609 1 75 ILE H 1 75 ILE HB . . 3.430 2.565 2.496 2.654 . 0 0 "[ . 1 . 2]" 1 1610 1 75 ILE H 1 75 ILE MD . . 4.250 1.919 1.895 2.049 . 0 0 "[ . 1 . 2]" 1 1611 1 75 ILE H 1 75 ILE HG12 . . 3.990 3.787 3.686 3.857 . 0 0 "[ . 1 . 2]" 1 1612 1 75 ILE H 1 75 ILE QG . . 3.380 2.680 2.449 2.881 . 0 0 "[ . 1 . 2]" 1 1613 1 75 ILE H 1 75 ILE HG13 . . 3.870 2.742 2.486 2.974 . 0 0 "[ . 1 . 2]" 1 1614 1 75 ILE H 1 75 ILE MG . . 3.810 3.765 3.760 3.767 . 0 0 "[ . 1 . 2]" 1 1615 1 75 ILE H 1 76 ALA H . . 4.250 2.754 2.593 2.849 . 0 0 "[ . 1 . 2]" 1 1616 1 75 ILE HA 1 75 ILE MD . . 3.900 3.446 3.313 3.564 . 0 0 "[ . 1 . 2]" 1 1617 1 75 ILE HA 1 75 ILE HG12 . . 4.210 3.438 3.420 3.464 . 0 0 "[ . 1 . 2]" 1 1618 1 75 ILE HA 1 75 ILE HG13 . . 4.230 2.313 2.239 2.380 . 0 0 "[ . 1 . 2]" 1 1619 1 75 ILE HA 1 75 ILE MG . . 3.250 2.346 2.285 2.402 . 0 0 "[ . 1 . 2]" 1 1620 1 75 ILE HA 1 78 TYR H . . 4.780 3.415 3.305 3.462 . 0 0 "[ . 1 . 2]" 1 1621 1 75 ILE HA 1 78 TYR QD . . 4.640 4.257 4.042 4.401 . 0 0 "[ . 1 . 2]" 1 1622 1 75 ILE HA 1 79 ASN H . . 4.630 4.234 3.980 4.493 . 0 0 "[ . 1 . 2]" 1 1623 1 75 ILE HB 1 76 ALA H . . 3.580 2.751 2.555 2.851 . 0 0 "[ . 1 . 2]" 1 1624 1 75 ILE HB 1 76 ALA HA . . 4.820 4.286 4.174 4.394 . 0 0 "[ . 1 . 2]" 1 1625 1 75 ILE MD 1 78 TYR HB2 . . 5.500 5.497 5.325 5.521 0.021 5 0 "[ . 1 . 2]" 1 1626 1 75 ILE QG 1 78 TYR H . . 5.340 5.346 5.266 5.383 0.043 20 0 "[ . 1 . 2]" 1 1627 1 75 ILE QG 1 78 TYR QD . . 5.340 5.138 4.911 5.274 . 0 0 "[ . 1 . 2]" 1 1628 1 75 ILE HG13 1 78 TYR QD . . 5.500 5.384 5.130 5.506 0.006 19 0 "[ . 1 . 2]" 1 1629 1 75 ILE MG 1 76 ALA H . . 3.870 3.534 3.417 3.598 . 0 0 "[ . 1 . 2]" 1 1630 1 75 ILE MG 1 76 ALA HA . . 4.250 3.518 3.424 3.608 . 0 0 "[ . 1 . 2]" 1 1631 1 75 ILE MG 1 78 TYR HB3 . . 5.500 3.518 3.252 3.616 . 0 0 "[ . 1 . 2]" 1 1632 1 75 ILE MG 1 78 TYR QD . . 4.900 4.627 4.068 4.908 0.008 5 0 "[ . 1 . 2]" 1 1633 1 75 ILE MG 1 79 ASN H . . 4.480 4.179 3.923 4.388 . 0 0 "[ . 1 . 2]" 1 1634 1 75 ILE MG 1 79 ASN HB2 . . 4.930 4.437 4.121 4.814 . 0 0 "[ . 1 . 2]" 1 1635 1 75 ILE MG 1 79 ASN HD21 . . 3.670 3.003 2.572 3.649 . 0 0 "[ . 1 . 2]" 1 1636 1 75 ILE MG 1 79 ASN QD . . 3.190 2.624 2.343 3.009 . 0 0 "[ . 1 . 2]" 1 1637 1 75 ILE MG 1 79 ASN HD22 . . 3.670 2.916 2.574 3.265 . 0 0 "[ . 1 . 2]" 1 1638 1 76 ALA H 1 76 ALA MB . . 3.000 2.100 2.026 2.227 . 0 0 "[ . 1 . 2]" 1 1639 1 76 ALA H 1 77 HIS H . . 3.650 2.669 2.580 2.795 . 0 0 "[ . 1 . 2]" 1 1640 1 76 ALA H 1 78 TYR H . . 5.310 3.960 3.907 4.104 . 0 0 "[ . 1 . 2]" 1 1641 1 76 ALA HA 1 78 TYR HB3 . . 5.500 5.399 5.245 5.505 0.005 14 0 "[ . 1 . 2]" 1 1642 1 76 ALA HA 1 79 ASN H . . 4.280 3.904 3.846 3.969 . 0 0 "[ . 1 . 2]" 1 1643 1 76 ALA HA 1 79 ASN HB2 . . 3.470 3.395 3.221 3.494 0.024 7 0 "[ . 1 . 2]" 1 1644 1 76 ALA HA 1 79 ASN HD21 . . 4.790 2.969 2.457 3.417 . 0 0 "[ . 1 . 2]" 1 1645 1 76 ALA HA 1 79 ASN QD . . 4.010 2.929 2.433 3.342 . 0 0 "[ . 1 . 2]" 1 1646 1 76 ALA HA 1 79 ASN HD22 . . 4.790 4.486 3.931 4.792 0.002 7 0 "[ . 1 . 2]" 1 1647 1 76 ALA MB 1 77 HIS H . . 3.520 2.590 2.357 2.740 . 0 0 "[ . 1 . 2]" 1 1648 1 76 ALA MB 1 77 HIS HA . . 4.400 3.770 3.723 3.839 . 0 0 "[ . 1 . 2]" 1 1649 1 76 ALA MB 1 79 ASN HB2 . . 4.870 4.646 4.537 4.744 . 0 0 "[ . 1 . 2]" 1 1650 1 77 HIS H 1 77 HIS HB2 . . 4.000 2.524 2.354 2.626 . 0 0 "[ . 1 . 2]" 1 1651 1 77 HIS H 1 77 HIS HB3 . . 3.710 3.607 3.582 3.614 . 0 0 "[ . 1 . 2]" 1 1652 1 77 HIS H 1 77 HIS HD2 . . 4.940 3.837 3.135 4.615 . 0 0 "[ . 1 . 2]" 1 1653 1 77 HIS H 1 78 TYR H . . 3.770 2.467 2.450 2.499 . 0 0 "[ . 1 . 2]" 1 1654 1 77 HIS HA 1 77 HIS HD2 . . 3.390 2.640 2.494 2.945 . 0 0 "[ . 1 . 2]" 1 1655 1 77 HIS HA 1 80 ALA H . . 4.390 3.292 3.168 3.402 . 0 0 "[ . 1 . 2]" 1 1656 1 77 HIS HA 1 80 ALA MB . . 3.310 2.694 2.562 2.908 . 0 0 "[ . 1 . 2]" 1 1657 1 77 HIS HA 1 81 VAL QG . . 5.010 4.588 4.076 5.013 0.003 10 0 "[ . 1 . 2]" 1 1658 1 77 HIS HB2 1 78 TYR H . . 4.780 2.737 2.646 2.814 . 0 0 "[ . 1 . 2]" 1 1659 1 77 HIS HB2 1 81 VAL H . . 5.500 5.551 5.529 5.589 0.089 6 0 "[ . 1 . 2]" 1 1660 1 77 HIS HB2 1 81 VAL QG . . 5.390 4.489 3.991 4.903 . 0 0 "[ . 1 . 2]" 1 1661 1 77 HIS HB3 1 78 TYR H . . 4.780 3.814 3.666 3.919 . 0 0 "[ . 1 . 2]" 1 1662 1 77 HIS HB3 1 80 ALA MB . . 4.770 3.955 3.832 4.038 . 0 0 "[ . 1 . 2]" 1 1663 1 77 HIS HD2 1 80 ALA MB . . 4.410 4.245 3.564 4.427 0.017 9 0 "[ . 1 . 2]" 1 1664 1 78 TYR H 1 78 TYR HB2 . . 3.740 2.370 2.259 2.496 . 0 0 "[ . 1 . 2]" 1 1665 1 78 TYR H 1 78 TYR HB3 . . 3.500 2.702 2.561 2.835 . 0 0 "[ . 1 . 2]" 1 1666 1 78 TYR H 1 78 TYR QD . . 4.690 4.158 4.094 4.197 . 0 0 "[ . 1 . 2]" 1 1667 1 78 TYR H 1 80 ALA MB . . 5.500 4.882 4.841 4.973 . 0 0 "[ . 1 . 2]" 1 1668 1 78 TYR HA 1 78 TYR QD . . 4.080 3.098 2.932 3.149 . 0 0 "[ . 1 . 2]" 1 1669 1 78 TYR HA 1 81 VAL HB . . 4.090 3.719 2.909 4.107 0.017 2 0 "[ . 1 . 2]" 1 1670 1 78 TYR HA 1 81 VAL MG1 . . 4.680 2.814 1.932 4.454 . 0 0 "[ . 1 . 2]" 1 1671 1 78 TYR HA 1 81 VAL QG . . 3.920 2.127 1.930 2.663 . 0 0 "[ . 1 . 2]" 1 1672 1 78 TYR HA 1 81 VAL MG2 . . 4.700 3.811 2.223 4.679 . 0 0 "[ . 1 . 2]" 1 1673 1 78 TYR HA 1 82 HIS H . . 4.660 3.935 3.809 4.132 . 0 0 "[ . 1 . 2]" 1 1674 1 78 TYR HB3 1 79 ASN H . . 3.610 2.693 2.515 2.749 . 0 0 "[ . 1 . 2]" 1 1675 1 78 TYR HB3 1 80 ALA H . . 5.500 4.985 4.896 5.026 . 0 0 "[ . 1 . 2]" 1 1676 1 78 TYR QD 1 79 ASN H . . 4.170 3.682 3.373 3.961 . 0 0 "[ . 1 . 2]" 1 1677 1 78 TYR QD 1 79 ASN HA . . 4.310 3.143 2.898 3.427 . 0 0 "[ . 1 . 2]" 1 1678 1 78 TYR QE 1 82 HIS QB . . 5.300 2.812 2.385 3.744 . 0 0 "[ . 1 . 2]" 1 1679 1 79 ASN H 1 79 ASN HB2 . . 3.340 2.191 2.121 2.269 . 0 0 "[ . 1 . 2]" 1 1680 1 79 ASN H 1 79 ASN HB3 . . 4.000 3.495 3.430 3.542 . 0 0 "[ . 1 . 2]" 1 1681 1 79 ASN H 1 79 ASN QD . . 4.510 3.186 2.741 3.780 . 0 0 "[ . 1 . 2]" 1 1682 1 79 ASN H 1 80 ALA H . . 3.640 2.612 2.502 2.716 . 0 0 "[ . 1 . 2]" 1 1683 1 79 ASN H 1 80 ALA MB . . 4.640 4.236 4.182 4.350 . 0 0 "[ . 1 . 2]" 1 1684 1 79 ASN H 1 81 VAL H . . 4.790 4.382 4.253 4.453 . 0 0 "[ . 1 . 2]" 1 1685 1 79 ASN HA 1 82 HIS HB2 . . 4.260 3.852 3.599 4.264 0.004 6 0 "[ . 1 . 2]" 1 1686 1 79 ASN HA 1 82 HIS HB3 . . 4.260 2.761 2.451 3.091 . 0 0 "[ . 1 . 2]" 1 1687 1 79 ASN HB2 1 79 ASN QD . . 3.270 2.122 2.095 2.254 . 0 0 "[ . 1 . 2]" 1 1688 1 79 ASN HB2 1 79 ASN HD22 . . 3.980 3.444 3.433 3.499 . 0 0 "[ . 1 . 2]" 1 1689 1 79 ASN HB2 1 80 ALA H . . 3.840 2.970 2.889 3.073 . 0 0 "[ . 1 . 2]" 1 1690 1 79 ASN HB2 1 80 ALA MB . . 4.690 4.289 4.183 4.421 . 0 0 "[ . 1 . 2]" 1 1691 1 79 ASN HB3 1 80 ALA H . . 4.370 3.454 3.339 3.574 . 0 0 "[ . 1 . 2]" 1 1692 1 79 ASN HB3 1 80 ALA MB . . 5.500 4.490 4.360 4.629 . 0 0 "[ . 1 . 2]" 1 1693 1 80 ALA H 1 80 ALA MB . . 3.070 2.108 2.039 2.230 . 0 0 "[ . 1 . 2]" 1 1694 1 80 ALA H 1 81 VAL H . . 3.590 2.654 2.557 2.705 . 0 0 "[ . 1 . 2]" 1 1695 1 80 ALA H 1 81 VAL HA . . 5.500 5.257 5.181 5.299 . 0 0 "[ . 1 . 2]" 1 1696 1 80 ALA H 1 81 VAL HB . . 5.230 5.029 4.890 5.126 . 0 0 "[ . 1 . 2]" 1 1697 1 80 ALA H 1 81 VAL QG . . 4.470 3.764 3.658 3.919 . 0 0 "[ . 1 . 2]" 1 1698 1 80 ALA MB 1 81 VAL H . . 3.410 2.476 2.283 2.656 . 0 0 "[ . 1 . 2]" 1 1699 1 80 ALA MB 1 81 VAL QG . . 3.830 3.503 2.923 3.773 . 0 0 "[ . 1 . 2]" 1 1700 1 81 VAL H 1 81 VAL HB . . 3.270 2.572 2.452 2.699 . 0 0 "[ . 1 . 2]" 1 1701 1 81 VAL H 1 81 VAL MG1 . . 3.830 2.680 2.028 3.755 . 0 0 "[ . 1 . 2]" 1 1702 1 81 VAL H 1 81 VAL QG . . 3.090 2.088 2.020 2.179 . 0 0 "[ . 1 . 2]" 1 1703 1 81 VAL H 1 81 VAL MG2 . . 3.840 3.176 2.084 3.765 . 0 0 "[ . 1 . 2]" 1 1704 1 81 VAL HA 1 81 VAL MG1 . . 3.220 2.891 2.206 3.204 . 0 0 "[ . 1 . 2]" 1 1705 1 81 VAL HA 1 81 VAL QG . . 2.840 2.189 2.042 2.325 . 0 0 "[ . 1 . 2]" 1 1706 1 81 VAL HA 1 81 VAL MG2 . . 3.240 2.327 2.176 2.415 . 0 0 "[ . 1 . 2]" 1 1707 1 81 VAL HA 1 84 ALA H . . 4.560 3.578 3.450 3.653 . 0 0 "[ . 1 . 2]" 1 1708 1 81 VAL HA 1 84 ALA MB . . 3.500 3.040 2.834 3.269 . 0 0 "[ . 1 . 2]" 1 1709 1 81 VAL HB 1 82 HIS H . . 3.890 3.384 2.348 3.936 0.046 19 0 "[ . 1 . 2]" 1 1710 1 81 VAL HB 1 82 HIS QB . . 5.340 4.930 3.925 5.486 0.146 10 0 "[ . 1 . 2]" 1 1711 1 81 VAL QG 1 82 HIS HA . . 5.070 3.195 2.922 3.650 . 0 0 "[ . 1 . 2]" 1 1712 1 81 VAL QG 1 82 HIS QB . . 4.830 3.319 2.833 4.167 . 0 0 "[ . 1 . 2]" 1 1713 1 81 VAL QG 1 84 ALA H . . 5.440 4.279 4.178 4.356 . 0 0 "[ . 1 . 2]" 1 1714 1 81 VAL QG 1 84 ALA MB . . 4.370 3.530 3.340 3.660 . 0 0 "[ . 1 . 2]" 1 1715 1 81 VAL QG 1 93 TRP HE1 . . 4.500 3.686 3.472 3.885 . 0 0 "[ . 1 . 2]" 1 1716 1 81 VAL QG 1 93 TRP HH2 . . 5.440 3.278 2.848 3.643 . 0 0 "[ . 1 . 2]" 1 1717 1 81 VAL QG 1 93 TRP HZ2 . . 4.500 2.445 1.944 2.715 . 0 0 "[ . 1 . 2]" 1 1718 1 81 VAL MG1 1 82 HIS H . . 4.220 2.588 2.084 3.570 . 0 0 "[ . 1 . 2]" 1 1719 1 81 VAL MG1 1 82 HIS HB2 . . 5.500 3.637 2.945 4.829 . 0 0 "[ . 1 . 2]" 1 1720 1 81 VAL MG1 1 82 HIS HB3 . . 5.500 4.332 3.691 5.364 . 0 0 "[ . 1 . 2]" 1 1721 1 81 VAL MG1 1 93 TRP HE1 . . 5.460 4.920 3.733 5.497 0.037 12 0 "[ . 1 . 2]" 1 1722 1 81 VAL MG1 1 93 TRP HH2 . . 5.030 3.676 2.937 4.315 . 0 0 "[ . 1 . 2]" 1 1723 1 81 VAL MG1 1 93 TRP HZ2 . . 4.580 3.213 2.317 3.803 . 0 0 "[ . 1 . 2]" 1 1724 1 81 VAL MG2 1 82 HIS H . . 4.230 3.683 3.611 3.786 . 0 0 "[ . 1 . 2]" 1 1725 1 81 VAL MG2 1 82 HIS HB2 . . 5.500 5.044 4.667 5.503 0.003 3 0 "[ . 1 . 2]" 1 1726 1 81 VAL MG2 1 82 HIS HB3 . . 5.500 5.524 5.506 5.549 0.049 3 0 "[ . 1 . 2]" 1 1727 1 81 VAL MG2 1 93 TRP HE1 . . 5.500 4.296 3.511 5.512 0.012 6 0 "[ . 1 . 2]" 1 1728 1 81 VAL MG2 1 93 TRP HZ2 . . 4.580 3.167 1.954 4.474 . 0 0 "[ . 1 . 2]" 1 1729 1 82 HIS H 1 82 HIS HB2 . . 3.730 2.610 2.435 2.703 . 0 0 "[ . 1 . 2]" 1 1730 1 82 HIS H 1 82 HIS QB . . 3.240 2.248 2.235 2.263 . 0 0 "[ . 1 . 2]" 1 1731 1 82 HIS H 1 82 HIS HB3 . . 3.730 2.468 2.390 2.654 . 0 0 "[ . 1 . 2]" 1 1732 1 82 HIS HA 1 85 ALA H . . 3.880 3.470 3.350 3.662 . 0 0 "[ . 1 . 2]" 1 1733 1 82 HIS HA 1 85 ALA MB . . 3.360 2.640 2.470 2.798 . 0 0 "[ . 1 . 2]" 1 1734 1 82 HIS HA 1 86 LYS H . . 4.770 4.005 3.663 4.315 . 0 0 "[ . 1 . 2]" 1 1735 1 82 HIS QB 1 85 ALA MB . . 4.760 4.313 4.227 4.423 . 0 0 "[ . 1 . 2]" 1 1736 1 82 HIS HB2 1 83 SER H . . 4.100 3.999 3.844 4.075 . 0 0 "[ . 1 . 2]" 1 1737 1 82 HIS HB2 1 85 ALA MB . . 5.500 4.639 4.507 4.783 . 0 0 "[ . 1 . 2]" 1 1738 1 82 HIS HB3 1 83 SER H . . 4.100 2.775 2.706 2.862 . 0 0 "[ . 1 . 2]" 1 1739 1 82 HIS HB3 1 85 ALA MB . . 5.500 5.133 4.955 5.292 . 0 0 "[ . 1 . 2]" 1 1740 1 83 SER H 1 83 SER QB . . 3.330 2.186 2.056 2.262 . 0 0 "[ . 1 . 2]" 1 1741 1 83 SER H 1 84 ALA MB . . 4.740 4.354 4.268 4.413 . 0 0 "[ . 1 . 2]" 1 1742 1 83 SER QB 1 84 ALA H . . 3.300 2.617 2.457 2.750 . 0 0 "[ . 1 . 2]" 1 1743 1 83 SER QB 1 84 ALA MB . . 3.910 3.790 3.647 3.893 . 0 0 "[ . 1 . 2]" 1 1744 1 84 ALA H 1 84 ALA MB . . 3.030 2.172 2.065 2.223 . 0 0 "[ . 1 . 2]" 1 1745 1 84 ALA H 1 88 MET ME . . 5.170 4.577 4.459 4.771 . 0 0 "[ . 1 . 2]" 1 1746 1 84 ALA HA 1 88 MET ME . . 4.940 3.388 3.137 3.793 . 0 0 "[ . 1 . 2]" 1 1747 1 84 ALA MB 1 87 THR H . . 4.630 4.532 4.452 4.635 0.005 7 0 "[ . 1 . 2]" 1 1748 1 84 ALA MB 1 88 MET ME . . 3.480 1.930 1.874 2.220 . 0 0 "[ . 1 . 2]" 1 1749 1 85 ALA H 1 85 ALA MB . . 2.960 2.203 2.167 2.234 . 0 0 "[ . 1 . 2]" 1 1750 1 85 ALA H 1 88 MET HG3 . . 5.500 5.541 5.527 5.563 0.063 1 0 "[ . 1 . 2]" 1 1751 1 85 ALA HA 1 87 THR H . . 5.330 4.346 4.205 4.572 . 0 0 "[ . 1 . 2]" 1 1752 1 85 ALA HA 1 88 MET H . . 4.530 3.396 3.303 3.517 . 0 0 "[ . 1 . 2]" 1 1753 1 85 ALA HA 1 88 MET HB2 . . 5.220 2.661 2.427 2.758 . 0 0 "[ . 1 . 2]" 1 1754 1 85 ALA HA 1 88 MET QB . . 4.480 2.637 2.406 2.731 . 0 0 "[ . 1 . 2]" 1 1755 1 85 ALA HA 1 88 MET HB3 . . 5.180 4.303 3.972 4.411 . 0 0 "[ . 1 . 2]" 1 1756 1 85 ALA HA 1 88 MET ME . . 3.700 2.301 2.103 3.063 . 0 0 "[ . 1 . 2]" 1 1757 1 85 ALA HA 1 90 ILE MD . . 4.630 3.758 3.349 4.182 . 0 0 "[ . 1 . 2]" 1 1758 1 85 ALA HA 1 90 ILE HG13 . . 5.500 4.270 3.960 4.791 . 0 0 "[ . 1 . 2]" 1 1759 1 85 ALA HA 1 93 TRP HE3 . . 5.500 5.425 4.942 5.510 0.010 1 0 "[ . 1 . 2]" 1 1760 1 85 ALA MB 1 86 LYS H . . 3.360 2.654 2.582 2.675 . 0 0 "[ . 1 . 2]" 1 1761 1 85 ALA MB 1 86 LYS HB2 . . 4.360 4.088 4.003 4.324 . 0 0 "[ . 1 . 2]" 1 1762 1 85 ALA MB 1 89 GLY H . . 5.350 4.570 4.516 4.649 . 0 0 "[ . 1 . 2]" 1 1763 1 85 ALA MB 1 93 TRP HE1 . . 5.500 5.556 5.539 5.582 0.082 1 0 "[ . 1 . 2]" 1 1764 1 85 ALA MB 1 93 TRP HE3 . . 4.200 3.682 3.201 3.847 . 0 0 "[ . 1 . 2]" 1 1765 1 86 LYS H 1 86 LYS HB2 . . 3.220 2.265 2.062 2.543 . 0 0 "[ . 1 . 2]" 1 1766 1 86 LYS H 1 86 LYS HB3 . . 3.430 2.901 2.505 3.433 0.003 3 0 "[ . 1 . 2]" 1 1767 1 86 LYS H 1 86 LYS HG2 . . 5.020 4.196 3.118 4.643 . 0 0 "[ . 1 . 2]" 1 1768 1 86 LYS H 1 86 LYS QG . . 4.390 3.735 3.022 4.034 . 0 0 "[ . 1 . 2]" 1 1769 1 86 LYS H 1 86 LYS HG3 . . 5.020 4.238 3.712 4.559 . 0 0 "[ . 1 . 2]" 1 1770 1 86 LYS H 1 87 THR H . . 3.530 2.642 2.594 2.708 . 0 0 "[ . 1 . 2]" 1 1771 1 86 LYS HA 1 86 LYS HG2 . . 3.950 2.720 2.025 3.773 . 0 0 "[ . 1 . 2]" 1 1772 1 86 LYS HA 1 86 LYS QG . . 3.460 2.275 2.006 2.577 . 0 0 "[ . 1 . 2]" 1 1773 1 86 LYS HA 1 86 LYS HG3 . . 3.950 2.972 2.333 3.604 . 0 0 "[ . 1 . 2]" 1 1774 1 86 LYS HA 1 89 GLY H . . 3.560 3.428 3.314 3.563 0.003 1 0 "[ . 1 . 2]" 1 1775 1 86 LYS HB3 1 87 THR H . . 3.650 2.765 2.470 3.035 . 0 0 "[ . 1 . 2]" 1 1776 1 86 LYS HB3 1 87 THR HB . . 5.500 5.289 5.114 5.504 0.004 3 0 "[ . 1 . 2]" 1 1777 1 87 THR H 1 87 THR HB . . 3.050 2.786 2.608 2.920 . 0 0 "[ . 1 . 2]" 1 1778 1 87 THR H 1 87 THR MG . . 4.790 3.738 3.692 3.777 . 0 0 "[ . 1 . 2]" 1 1779 1 87 THR H 1 88 MET H . . 3.780 2.551 2.496 2.644 . 0 0 "[ . 1 . 2]" 1 1780 1 87 THR H 1 88 MET ME . . 5.500 4.512 4.370 4.690 . 0 0 "[ . 1 . 2]" 1 1781 1 87 THR H 1 88 MET HG3 . . 5.500 4.587 4.492 4.790 . 0 0 "[ . 1 . 2]" 1 1782 1 87 THR H 1 89 GLY H . . 4.850 3.810 3.726 3.872 . 0 0 "[ . 1 . 2]" 1 1783 1 87 THR HA 1 87 THR HB . . 3.010 3.004 2.977 3.023 0.013 5 0 "[ . 1 . 2]" 1 1784 1 87 THR HA 1 87 THR MG . . 3.140 2.262 2.083 2.393 . 0 0 "[ . 1 . 2]" 1 1785 1 87 THR HB 1 88 MET H . . 3.840 2.743 2.650 2.780 . 0 0 "[ . 1 . 2]" 1 1786 1 87 THR HB 1 88 MET HG2 . . 4.970 4.532 4.414 4.742 . 0 0 "[ . 1 . 2]" 1 1787 1 87 THR HB 1 88 MET HG3 . . 4.790 3.228 3.176 3.527 . 0 0 "[ . 1 . 2]" 1 1788 1 87 THR MG 1 88 MET H . . 3.950 3.886 3.725 3.964 0.014 19 0 "[ . 1 . 2]" 1 1789 1 88 MET H 1 88 MET QB . . 3.550 2.314 2.219 2.331 . 0 0 "[ . 1 . 2]" 1 1790 1 88 MET H 1 88 MET ME . . 4.890 3.407 3.297 3.569 . 0 0 "[ . 1 . 2]" 1 1791 1 88 MET H 1 88 MET HG3 . . 3.860 2.617 2.536 2.818 . 0 0 "[ . 1 . 2]" 1 1792 1 88 MET H 1 89 GLY H . . 3.520 2.397 2.354 2.459 . 0 0 "[ . 1 . 2]" 1 1793 1 88 MET H 1 89 GLY QA . . 5.180 4.320 4.284 4.370 . 0 0 "[ . 1 . 2]" 1 1794 1 88 MET H 1 90 ILE HG13 . . 5.500 4.639 4.449 5.010 . 0 0 "[ . 1 . 2]" 1 1795 1 88 MET HA 1 88 MET HG2 . . 3.020 2.510 2.384 2.548 . 0 0 "[ . 1 . 2]" 1 1796 1 88 MET HA 1 88 MET HG3 . . 3.910 2.914 2.876 2.954 . 0 0 "[ . 1 . 2]" 1 1797 1 88 MET QB 1 88 MET ME . . 3.800 2.536 2.302 2.902 . 0 0 "[ . 1 . 2]" 1 1798 1 88 MET QB 1 89 GLY H . . 3.950 2.994 2.990 3.009 . 0 0 "[ . 1 . 2]" 1 1799 1 88 MET QB 1 89 GLY QA . . 4.440 4.092 4.087 4.094 . 0 0 "[ . 1 . 2]" 1 1800 1 88 MET QB 1 90 ILE H . . 3.960 2.900 2.877 2.931 . 0 0 "[ . 1 . 2]" 1 1801 1 88 MET QB 1 90 ILE HB . . 4.670 3.449 3.325 3.546 . 0 0 "[ . 1 . 2]" 1 1802 1 88 MET QB 1 90 ILE MD . . 3.460 2.121 1.908 2.293 . 0 0 "[ . 1 . 2]" 1 1803 1 88 MET QB 1 90 ILE HG12 . . 4.780 3.378 3.173 3.733 . 0 0 "[ . 1 . 2]" 1 1804 1 88 MET QB 1 90 ILE HG13 . . 4.060 2.092 1.954 2.396 . 0 0 "[ . 1 . 2]" 1 1805 1 88 MET HB2 1 89 GLY HA2 . . 5.500 5.067 5.043 5.154 . 0 0 "[ . 1 . 2]" 1 1806 1 88 MET HB2 1 89 GLY HA3 . . 5.500 5.134 5.105 5.254 . 0 0 "[ . 1 . 2]" 1 1807 1 88 MET HB2 1 90 ILE HB . . 5.340 3.691 3.558 3.814 . 0 0 "[ . 1 . 2]" 1 1808 1 88 MET HB2 1 90 ILE HG12 . . 5.500 4.367 4.129 4.741 . 0 0 "[ . 1 . 2]" 1 1809 1 88 MET HB2 1 90 ILE HG13 . . 5.500 2.697 2.444 3.137 . 0 0 "[ . 1 . 2]" 1 1810 1 88 MET HB3 1 89 GLY HA2 . . 5.500 5.511 5.372 5.536 0.036 5 0 "[ . 1 . 2]" 1 1811 1 88 MET HB3 1 89 GLY HA3 . . 5.500 5.007 4.926 5.033 . 0 0 "[ . 1 . 2]" 1 1812 1 88 MET HB3 1 90 ILE HB . . 5.340 4.151 3.745 4.350 . 0 0 "[ . 1 . 2]" 1 1813 1 88 MET HB3 1 90 ILE HG12 . . 5.500 3.518 3.297 3.911 . 0 0 "[ . 1 . 2]" 1 1814 1 88 MET HB3 1 90 ILE HG13 . . 5.500 2.183 2.000 2.486 . 0 0 "[ . 1 . 2]" 1 1815 1 88 MET ME 1 88 MET HG3 . . 3.400 2.241 2.124 2.354 . 0 0 "[ . 1 . 2]" 1 1816 1 88 MET ME 1 90 ILE MD . . 3.310 3.137 2.696 3.320 0.010 11 0 "[ . 1 . 2]" 1 1817 1 88 MET HG3 1 89 GLY H . . 5.310 4.615 4.581 4.795 . 0 0 "[ . 1 . 2]" 1 1818 1 89 GLY H 1 90 ILE HB . . 5.500 4.901 4.786 5.013 . 0 0 "[ . 1 . 2]" 1 1819 1 89 GLY H 1 90 ILE HG13 . . 5.500 3.937 3.825 4.162 . 0 0 "[ . 1 . 2]" 1 1820 1 89 GLY QA 1 90 ILE HG12 . . 5.340 4.931 4.613 5.307 . 0 0 "[ . 1 . 2]" 1 1821 1 89 GLY QA 1 90 ILE HG13 . . 4.720 4.071 3.940 4.142 . 0 0 "[ . 1 . 2]" 1 1822 1 90 ILE H 1 90 ILE HB . . 3.400 2.599 2.510 2.698 . 0 0 "[ . 1 . 2]" 1 1823 1 90 ILE H 1 90 ILE MD . . 4.330 3.670 3.406 3.805 . 0 0 "[ . 1 . 2]" 1 1824 1 90 ILE H 1 90 ILE HG12 . . 5.380 3.643 3.475 3.942 . 0 0 "[ . 1 . 2]" 1 1825 1 90 ILE H 1 90 ILE QG . . 4.310 2.335 2.224 2.517 . 0 0 "[ . 1 . 2]" 1 1826 1 90 ILE H 1 90 ILE HG13 . . 4.590 2.364 2.249 2.548 . 0 0 "[ . 1 . 2]" 1 1827 1 90 ILE H 1 90 ILE MG . . 3.990 3.820 3.791 3.862 . 0 0 "[ . 1 . 2]" 1 1828 1 90 ILE H 1 91 ASP HA . . 5.300 5.162 5.056 5.214 . 0 0 "[ . 1 . 2]" 1 1829 1 90 ILE HA 1 90 ILE HG12 . . 3.990 2.646 2.581 2.763 . 0 0 "[ . 1 . 2]" 1 1830 1 90 ILE HA 1 90 ILE HG13 . . 3.920 3.034 2.750 3.175 . 0 0 "[ . 1 . 2]" 1 1831 1 90 ILE HA 1 90 ILE MG . . 3.240 2.262 2.211 2.321 . 0 0 "[ . 1 . 2]" 1 1832 1 90 ILE HA 1 91 ASP H . . 3.230 2.230 2.138 2.283 . 0 0 "[ . 1 . 2]" 1 1833 1 90 ILE HA 1 91 ASP HA . . 4.430 4.395 4.369 4.450 0.020 1 0 "[ . 1 . 2]" 1 1834 1 90 ILE HA 1 91 ASP QB . . 4.830 4.181 3.925 4.487 . 0 0 "[ . 1 . 2]" 1 1835 1 90 ILE HA 1 93 TRP HE3 . . 5.500 5.010 4.815 5.275 . 0 0 "[ . 1 . 2]" 1 1836 1 90 ILE HB 1 90 ILE MD . . 3.670 2.366 2.287 2.432 . 0 0 "[ . 1 . 2]" 1 1837 1 90 ILE HB 1 91 ASP H . . 4.870 3.872 3.689 4.184 . 0 0 "[ . 1 . 2]" 1 1838 1 90 ILE HB 1 93 TRP H . . 5.500 5.344 4.697 5.508 0.008 12 0 "[ . 1 . 2]" 1 1839 1 90 ILE MD 1 93 TRP HB2 . . 5.500 3.682 3.558 4.091 . 0 0 "[ . 1 . 2]" 1 1840 1 90 ILE MD 1 93 TRP QB . . 4.840 2.931 2.642 3.244 . 0 0 "[ . 1 . 2]" 1 1841 1 90 ILE MD 1 93 TRP HB3 . . 5.500 3.081 2.723 3.402 . 0 0 "[ . 1 . 2]" 1 1842 1 90 ILE QG 1 91 ASP H . . 5.130 4.099 3.999 4.349 . 0 0 "[ . 1 . 2]" 1 1843 1 90 ILE QG 1 93 TRP HE3 . . 5.340 5.074 4.856 5.356 0.016 12 0 "[ . 1 . 2]" 1 1844 1 90 ILE HG12 1 91 ASP H . . 5.270 4.367 4.247 4.676 . 0 0 "[ . 1 . 2]" 1 1845 1 90 ILE MG 1 91 ASP H . . 3.570 2.073 1.921 2.856 . 0 0 "[ . 1 . 2]" 1 1846 1 90 ILE MG 1 91 ASP HA . . 4.140 3.808 3.525 4.145 0.005 12 0 "[ . 1 . 2]" 1 1847 1 90 ILE MG 1 91 ASP QB . . 4.720 3.928 3.782 4.337 . 0 0 "[ . 1 . 2]" 1 1848 1 90 ILE MG 1 92 THR H . . 3.420 2.779 2.066 3.206 . 0 0 "[ . 1 . 2]" 1 1849 1 90 ILE MG 1 93 TRP H . . 4.110 3.232 2.604 3.602 . 0 0 "[ . 1 . 2]" 1 1850 1 90 ILE MG 1 93 TRP HA . . 4.850 3.255 3.008 3.437 . 0 0 "[ . 1 . 2]" 1 1851 1 90 ILE MG 1 93 TRP HB2 . . 4.180 3.234 2.911 3.453 . 0 0 "[ . 1 . 2]" 1 1852 1 90 ILE MG 1 93 TRP QB . . 3.490 1.907 1.859 2.037 . 0 0 "[ . 1 . 2]" 1 1853 1 90 ILE MG 1 93 TRP HB3 . . 4.010 1.921 1.878 2.057 . 0 0 "[ . 1 . 2]" 1 1854 1 90 ILE MG 1 93 TRP HD1 . . 5.500 5.124 4.975 5.337 . 0 0 "[ . 1 . 2]" 1 1855 1 90 ILE MG 1 93 TRP HE3 . . 3.900 2.128 1.969 2.694 . 0 0 "[ . 1 . 2]" 1 1856 1 91 ASP H 1 91 ASP QB . . 3.390 2.441 2.280 2.925 . 0 0 "[ . 1 . 2]" 1 1857 1 91 ASP HA 1 93 TRP H . . 5.460 5.205 3.972 5.470 0.010 13 0 "[ . 1 . 2]" 1 1858 1 91 ASP HA 1 93 TRP HE3 . . 5.110 3.845 2.985 4.343 . 0 0 "[ . 1 . 2]" 1 1859 1 91 ASP QB 1 92 THR H . . 3.840 2.539 2.128 3.833 . 0 0 "[ . 1 . 2]" 1 1860 1 91 ASP QB 1 92 THR HB . . 5.500 4.296 3.628 5.384 . 0 0 "[ . 1 . 2]" 1 1861 1 91 ASP QB 1 92 THR MG . . 5.300 3.440 2.509 4.909 . 0 0 "[ . 1 . 2]" 1 1862 1 91 ASP QB 1 93 TRP H . . 5.500 5.433 5.157 5.508 0.008 15 0 "[ . 1 . 2]" 1 1863 1 92 THR H 1 92 THR HB . . 3.830 3.269 2.573 3.787 . 0 0 "[ . 1 . 2]" 1 1864 1 92 THR H 1 92 THR MG . . 4.680 2.820 1.900 4.051 . 0 0 "[ . 1 . 2]" 1 1865 1 92 THR H 1 93 TRP H . . 4.550 3.787 2.072 4.165 . 0 0 "[ . 1 . 2]" 1 1866 1 92 THR HA 1 92 THR MG . . 3.390 2.637 2.025 3.182 . 0 0 "[ . 1 . 2]" 1 1867 1 92 THR HA 1 93 TRP H . . 3.010 2.281 2.171 2.882 . 0 0 "[ . 1 . 2]" 1 1868 1 92 THR HB 1 93 TRP H . . 4.480 4.244 3.797 4.490 0.010 15 0 "[ . 1 . 2]" 1 1869 1 92 THR MG 1 93 TRP H . . 4.950 4.023 3.196 4.345 . 0 0 "[ . 1 . 2]" 1 1870 1 93 TRP H 1 93 TRP QB . . 3.630 2.757 2.441 2.858 . 0 0 "[ . 1 . 2]" 1 1871 1 93 TRP H 1 93 TRP HB3 . . 3.980 2.842 2.482 2.955 . 0 0 "[ . 1 . 2]" 1 1872 1 93 TRP H 1 93 TRP HD1 . . 5.500 4.563 4.424 4.859 . 0 0 "[ . 1 . 2]" 1 1873 1 93 TRP HA 1 93 TRP HD1 . . 5.020 4.365 4.261 4.478 . 0 0 "[ . 1 . 2]" 1 1874 1 93 TRP HA 1 93 TRP HE3 . . 5.360 4.337 4.190 4.475 . 0 0 "[ . 1 . 2]" 1 stop_ save_
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