NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
482180 | 1kdx | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1kdx 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 721 _Distance_constraint_stats_list.Viol_count 471 _Distance_constraint_stats_list.Viol_total 373.857 _Distance_constraint_stats_list.Viol_max 0.206 _Distance_constraint_stats_list.Viol_rms 0.0113 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0018 _Distance_constraint_stats_list.Viol_average_violations_only 0.0467 _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 VAL 0.047 0.044 4 0 "[ . 1 . ]" 1 3 ARG 0.279 0.056 17 0 "[ . 1 . ]" 1 4 LYS 0.733 0.148 15 0 "[ . 1 . ]" 1 5 GLY 0.000 0.000 . 0 "[ . 1 . ]" 1 6 TRP 0.603 0.148 15 0 "[ . 1 . ]" 1 7 HIS 0.193 0.053 4 0 "[ . 1 . ]" 1 8 GLU 0.031 0.016 7 0 "[ . 1 . ]" 1 9 HIS 0.000 0.000 . 0 "[ . 1 . ]" 1 10 VAL 0.274 0.042 15 0 "[ . 1 . ]" 1 11 THR 0.257 0.042 15 0 "[ . 1 . ]" 1 12 GLN 0.000 0.000 . 0 "[ . 1 . ]" 1 13 ASP 0.000 0.000 . 0 "[ . 1 . ]" 1 14 LEU 0.000 0.000 . 0 "[ . 1 . ]" 1 15 ARG 0.131 0.031 3 0 "[ . 1 . ]" 1 16 SER 0.000 0.000 . 0 "[ . 1 . ]" 1 17 HIS 0.866 0.155 17 0 "[ . 1 . ]" 1 18 LEU 0.766 0.064 12 0 "[ . 1 . ]" 1 19 VAL 0.616 0.114 15 0 "[ . 1 . ]" 1 20 HIS 2.299 0.155 17 0 "[ . 1 . ]" 1 21 LYS 0.884 0.070 14 0 "[ . 1 . ]" 1 22 LEU 0.722 0.114 15 0 "[ . 1 . ]" 1 23 VAL 0.298 0.038 3 0 "[ . 1 . ]" 1 24 GLN 0.000 0.000 . 0 "[ . 1 . ]" 1 25 ALA 0.266 0.038 3 0 "[ . 1 . ]" 1 26 ILE 0.000 0.000 . 0 "[ . 1 . ]" 1 27 PHE 0.000 0.000 . 0 "[ . 1 . ]" 1 28 PRO 0.023 0.023 15 0 "[ . 1 . ]" 1 29 THR 0.173 0.043 4 0 "[ . 1 . ]" 1 30 PRO 1.202 0.090 15 0 "[ . 1 . ]" 1 31 ASP 1.079 0.090 15 0 "[ . 1 . ]" 1 32 PRO 0.052 0.024 12 0 "[ . 1 . ]" 1 33 ALA 0.209 0.079 12 0 "[ . 1 . ]" 1 34 ALA 0.162 0.074 12 0 "[ . 1 . ]" 1 35 LEU 0.397 0.079 12 0 "[ . 1 . ]" 1 36 LYS 0.072 0.072 13 0 "[ . 1 . ]" 1 37 ASP 0.017 0.017 12 0 "[ . 1 . ]" 1 38 ARG 0.020 0.017 12 0 "[ . 1 . ]" 1 39 ARG 0.174 0.087 14 0 "[ . 1 . ]" 1 40 MET 0.000 0.000 . 0 "[ . 1 . ]" 1 41 GLU 1.229 0.093 3 0 "[ . 1 . ]" 1 42 ASN 0.984 0.072 7 0 "[ . 1 . ]" 1 43 LEU 1.164 0.093 3 0 "[ . 1 . ]" 1 44 VAL 0.956 0.075 16 0 "[ . 1 . ]" 1 45 ALA 0.000 0.000 . 0 "[ . 1 . ]" 1 46 TYR 0.000 0.000 . 0 "[ . 1 . ]" 1 47 ALA 0.000 0.000 . 0 "[ . 1 . ]" 1 48 LYS 0.035 0.035 8 0 "[ . 1 . ]" 1 49 LYS 0.013 0.005 5 0 "[ . 1 . ]" 1 50 VAL 0.000 0.000 . 0 "[ . 1 . ]" 1 51 GLU 0.000 0.000 . 0 "[ . 1 . ]" 1 52 GLY 0.000 0.000 . 0 "[ . 1 . ]" 1 53 ASP 0.000 0.000 . 0 "[ . 1 . ]" 1 54 MET 0.009 0.005 15 0 "[ . 1 . ]" 1 55 TYR 0.000 0.000 . 0 "[ . 1 . ]" 1 56 GLU 0.209 0.072 14 0 "[ . 1 . ]" 1 57 SER 0.208 0.072 14 0 "[ . 1 . ]" 1 58 ALA 0.000 0.000 . 0 "[ . 1 . ]" 1 59 ASN 0.092 0.047 14 0 "[ . 1 . ]" 1 60 SER 0.077 0.047 14 0 "[ . 1 . ]" 1 61 ARG 0.000 0.000 . 0 "[ . 1 . ]" 1 62 ASP 0.000 0.000 . 0 "[ . 1 . ]" 1 63 GLU 0.000 0.000 . 0 "[ . 1 . ]" 1 64 TYR 0.000 0.000 . 0 "[ . 1 . ]" 1 65 TYR 0.617 0.080 8 0 "[ . 1 . ]" 1 66 HIS 0.023 0.023 17 0 "[ . 1 . ]" 1 67 LEU 0.340 0.073 17 0 "[ . 1 . ]" 1 68 LEU 0.617 0.080 8 0 "[ . 1 . ]" 1 69 ALA 0.000 0.000 . 0 "[ . 1 . ]" 1 70 GLU 0.035 0.035 7 0 "[ . 1 . ]" 1 71 LYS 0.279 0.059 13 0 "[ . 1 . ]" 1 72 ILE 0.000 0.000 . 0 "[ . 1 . ]" 1 73 TYR 0.000 0.000 . 0 "[ . 1 . ]" 1 74 LYS 0.319 0.064 16 0 "[ . 1 . ]" 1 75 ILE 3.903 0.206 5 0 "[ . 1 . ]" 1 76 GLN 0.754 0.110 5 0 "[ . 1 . ]" 1 77 LYS 0.030 0.030 5 0 "[ . 1 . ]" 1 78 GLU 3.937 0.206 5 0 "[ . 1 . ]" 1 79 LEU 0.853 0.110 5 0 "[ . 1 . ]" 1 80 GLU 1.007 0.085 5 0 "[ . 1 . ]" 1 81 GLU 0.942 0.085 5 0 "[ . 1 . ]" 2 1 THR 0.661 0.087 2 0 "[ . 1 . ]" 2 2 ASP 1.620 0.087 2 0 "[ . 1 . ]" 2 3 SER 0.878 0.082 7 0 "[ . 1 . ]" 2 4 GLN 0.000 0.000 . 0 "[ . 1 . ]" 2 5 LYS 0.111 0.077 10 0 "[ . 1 . ]" 2 6 ARG 0.031 0.031 16 0 "[ . 1 . ]" 2 7 ARG 0.000 0.000 . 0 "[ . 1 . ]" 2 8 GLU 0.000 0.000 . 0 "[ . 1 . ]" 2 9 ILE 0.107 0.047 7 0 "[ . 1 . ]" 2 10 LEU 0.000 0.000 . 0 "[ . 1 . ]" 2 11 SER 0.000 0.000 . 0 "[ . 1 . ]" 2 12 ARG 0.107 0.047 7 0 "[ . 1 . ]" 2 13 ARG 0.165 0.058 12 0 "[ . 1 . ]" 2 14 PRO 0.165 0.058 12 0 "[ . 1 . ]" 2 16 TYR 0.035 0.035 7 0 "[ . 1 . ]" 2 17 ARG 0.000 0.000 . 0 "[ . 1 . ]" 2 19 ILE 0.000 0.000 . 0 "[ . 1 . ]" 2 20 LEU 0.000 0.000 . 0 "[ . 1 . ]" 2 22 ASP 0.000 0.000 . 0 "[ . 1 . ]" 2 23 LEU 1.719 0.194 5 0 "[ . 1 . ]" 2 24 SER 0.000 0.000 . 0 "[ . 1 . ]" 2 25 SER 1.005 0.084 5 0 "[ . 1 . ]" 2 26 ASP 3.519 0.194 5 0 "[ . 1 . ]" 2 27 ALA 1.006 0.089 1 0 "[ . 1 . ]" 2 28 PRO 0.000 0.000 . 0 "[ . 1 . ]" 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 VAL HA 1 3 ARG H . . 3.500 2.980 2.347 3.544 0.044 4 0 "[ . 1 . ]" 1 2 1 2 VAL HB 1 3 ARG H . . 4.500 2.228 1.851 4.129 . 0 0 "[ . 1 . ]" 1 3 1 2 VAL HB 1 3 ARG QB . . 4.000 3.860 3.492 4.001 0.001 8 0 "[ . 1 . ]" 1 4 1 3 ARG H 1 3 ARG QB . . 3.500 2.459 2.102 3.366 . 0 0 "[ . 1 . ]" 1 5 1 3 ARG H 1 3 ARG QD . . 5.500 3.984 2.025 4.854 . 0 0 "[ . 1 . ]" 1 6 1 3 ARG H 1 3 ARG QG . . 4.500 3.093 2.241 4.007 . 0 0 "[ . 1 . ]" 1 7 1 3 ARG H 1 4 LYS H . . 5.500 3.765 2.981 4.415 . 0 0 "[ . 1 . ]" 1 8 1 3 ARG HA 1 3 ARG QD . . 5.000 4.005 2.295 4.577 . 0 0 "[ . 1 . ]" 1 9 1 3 ARG HA 1 3 ARG QG . . 4.000 2.724 2.197 3.441 . 0 0 "[ . 1 . ]" 1 10 1 3 ARG HA 1 4 LYS H . . 3.500 2.656 2.157 3.556 0.056 17 0 "[ . 1 . ]" 1 11 1 3 ARG HA 1 4 LYS QG . . 5.000 4.063 3.053 4.878 . 0 0 "[ . 1 . ]" 1 12 1 3 ARG QB 1 4 LYS H . . 4.500 3.322 1.855 4.037 . 0 0 "[ . 1 . ]" 1 13 1 3 ARG QD 1 7 HIS HA . . 4.000 3.997 3.950 4.053 0.053 4 0 "[ . 1 . ]" 1 14 1 3 ARG QD 1 7 HIS QB . . 5.000 2.716 2.045 3.949 . 0 0 "[ . 1 . ]" 1 15 1 4 LYS H 1 4 LYS QD . . 5.500 3.405 1.984 4.495 . 0 0 "[ . 1 . ]" 1 16 1 4 LYS H 1 5 GLY H . . 5.500 3.550 2.780 4.622 . 0 0 "[ . 1 . ]" 1 17 1 4 LYS HA 1 4 LYS QD . . 4.000 3.524 2.270 4.044 0.044 10 0 "[ . 1 . ]" 1 18 1 4 LYS HA 1 4 LYS QE . . 5.000 3.529 2.006 4.836 . 0 0 "[ . 1 . ]" 1 19 1 4 LYS HA 1 4 LYS QG . . 4.000 2.595 2.169 3.186 . 0 0 "[ . 1 . ]" 1 20 1 4 LYS HA 1 5 GLY H . . 4.500 2.561 2.114 3.239 . 0 0 "[ . 1 . ]" 1 21 1 4 LYS HA 1 6 TRP H . . 4.500 4.491 4.083 4.648 0.148 15 0 "[ . 1 . ]" 1 22 1 4 LYS QB 1 6 TRP HD1 . . 5.000 2.443 2.112 2.880 . 0 0 "[ . 1 . ]" 1 23 1 4 LYS QD 1 6 TRP HD1 . . 5.000 4.488 3.754 4.995 . 0 0 "[ . 1 . ]" 1 24 1 4 LYS QD 1 59 ASN HA . . 4.000 3.116 2.288 3.938 . 0 0 "[ . 1 . ]" 1 25 1 4 LYS QE 1 56 GLU HA . . 5.000 4.073 2.439 4.982 . 0 0 "[ . 1 . ]" 1 26 1 4 LYS QE 1 59 ASN HA . . 5.000 4.568 2.494 5.015 0.015 14 0 "[ . 1 . ]" 1 27 1 4 LYS QG 1 6 TRP HD1 . . 5.000 4.291 3.191 4.897 . 0 0 "[ . 1 . ]" 1 28 1 5 GLY H 1 6 TRP H . . 5.500 3.562 2.870 3.849 . 0 0 "[ . 1 . ]" 1 29 1 5 GLY QA 1 6 TRP H . . 3.500 2.579 2.402 2.831 . 0 0 "[ . 1 . ]" 1 30 1 5 GLY QA 1 8 GLU QG . . 5.000 4.027 2.214 4.535 . 0 0 "[ . 1 . ]" 1 31 1 6 TRP H 1 7 HIS H . . 5.500 2.845 1.772 3.043 . 0 0 "[ . 1 . ]" 1 32 1 6 TRP H 1 7 HIS QB . . 5.500 4.557 3.301 5.067 . 0 0 "[ . 1 . ]" 1 33 1 6 TRP HA 1 6 TRP HD1 . . 5.000 4.498 4.324 4.667 . 0 0 "[ . 1 . ]" 1 34 1 6 TRP HA 1 7 HIS H . . 4.500 3.475 3.385 3.556 . 0 0 "[ . 1 . ]" 1 35 1 6 TRP HA 1 8 GLU H . . 4.500 4.125 3.637 4.516 0.016 7 0 "[ . 1 . ]" 1 36 1 6 TRP HA 1 9 HIS H . . 4.500 3.580 2.959 4.045 . 0 0 "[ . 1 . ]" 1 37 1 6 TRP HA 1 9 HIS HD2 . . 5.000 2.593 2.223 4.070 . 0 0 "[ . 1 . ]" 1 38 1 6 TRP QB 1 7 HIS H . . 4.500 3.704 3.482 3.976 . 0 0 "[ . 1 . ]" 1 39 1 6 TRP QB 1 8 GLU H . . 5.500 5.193 4.868 5.398 . 0 0 "[ . 1 . ]" 1 40 1 6 TRP QB 1 60 SER HA . . 4.000 2.786 2.330 3.818 . 0 0 "[ . 1 . ]" 1 41 1 6 TRP QB 1 61 ARG H . . 4.500 2.747 2.309 3.675 . 0 0 "[ . 1 . ]" 1 42 1 6 TRP HD1 1 59 ASN HA . . 5.000 3.718 3.321 4.047 . 0 0 "[ . 1 . ]" 1 43 1 6 TRP HD1 1 60 SER HA . . 5.000 2.776 2.512 3.499 . 0 0 "[ . 1 . ]" 1 44 1 6 TRP HE3 1 7 HIS HA . . 5.000 3.613 3.081 4.716 . 0 0 "[ . 1 . ]" 1 45 1 6 TRP HE3 1 10 VAL HB . . 5.000 3.256 2.557 4.723 . 0 0 "[ . 1 . ]" 1 46 1 6 TRP HE3 1 10 VAL MG2 . . 5.000 2.269 2.092 2.563 . 0 0 "[ . 1 . ]" 1 47 1 6 TRP HE3 1 61 ARG HA . . 5.000 3.455 2.868 3.974 . 0 0 "[ . 1 . ]" 1 48 1 6 TRP HE3 1 61 ARG QB . . 5.000 3.026 2.288 4.467 . 0 0 "[ . 1 . ]" 1 49 1 6 TRP HE3 1 61 ARG QG . . 5.000 3.492 2.149 4.206 . 0 0 "[ . 1 . ]" 1 50 1 6 TRP HH2 1 55 TYR HA . . 4.000 2.307 2.104 2.486 . 0 0 "[ . 1 . ]" 1 51 1 6 TRP HH2 1 58 ALA MB . . 5.000 3.497 2.990 4.022 . 0 0 "[ . 1 . ]" 1 52 1 6 TRP HH2 1 64 TYR QB . . 5.000 2.797 2.400 3.184 . 0 0 "[ . 1 . ]" 1 53 1 6 TRP HZ2 1 55 TYR HA . . 5.000 2.707 2.369 3.542 . 0 0 "[ . 1 . ]" 1 54 1 6 TRP HZ2 1 58 ALA MB . . 5.000 2.296 2.151 2.678 . 0 0 "[ . 1 . ]" 1 55 1 6 TRP HZ3 1 10 VAL HB . . 5.000 2.832 2.250 4.788 . 0 0 "[ . 1 . ]" 1 56 1 6 TRP HZ3 1 10 VAL MG1 . . 5.000 2.626 2.194 3.718 . 0 0 "[ . 1 . ]" 1 57 1 6 TRP HZ3 1 10 VAL MG2 . . 5.000 2.217 2.109 2.548 . 0 0 "[ . 1 . ]" 1 58 1 6 TRP HZ3 1 61 ARG HA . . 5.000 3.626 2.860 4.411 . 0 0 "[ . 1 . ]" 1 59 1 7 HIS H 1 8 GLU H . . 4.500 3.078 2.796 3.250 . 0 0 "[ . 1 . ]" 1 60 1 7 HIS HA 1 8 GLU H . . 4.500 3.583 3.525 3.618 . 0 0 "[ . 1 . ]" 1 61 1 7 HIS HA 1 10 VAL H . . 4.500 3.772 3.309 4.517 0.017 13 0 "[ . 1 . ]" 1 62 1 7 HIS HA 1 10 VAL HB . . 4.000 3.382 2.709 3.931 . 0 0 "[ . 1 . ]" 1 63 1 7 HIS HA 1 10 VAL MG2 . . 5.000 4.152 2.551 4.670 . 0 0 "[ . 1 . ]" 1 64 1 7 HIS QB 1 8 GLU H . . 4.500 2.601 2.213 3.459 . 0 0 "[ . 1 . ]" 1 65 1 7 HIS QB 1 8 GLU QG . . 5.000 4.206 3.163 4.751 . 0 0 "[ . 1 . ]" 1 66 1 8 GLU H 1 8 GLU QB . . 3.500 2.626 2.325 2.991 . 0 0 "[ . 1 . ]" 1 67 1 8 GLU H 1 8 GLU QG . . 4.500 2.142 1.902 2.673 . 0 0 "[ . 1 . ]" 1 68 1 8 GLU H 1 9 HIS H . . 4.500 2.867 2.626 2.976 . 0 0 "[ . 1 . ]" 1 69 1 8 GLU HA 1 9 HIS H . . 4.500 3.527 3.490 3.564 . 0 0 "[ . 1 . ]" 1 70 1 8 GLU HA 1 9 HIS HA . . 5.000 4.715 4.605 4.770 . 0 0 "[ . 1 . ]" 1 71 1 8 GLU HA 1 10 VAL H . . 5.500 4.087 3.536 5.088 . 0 0 "[ . 1 . ]" 1 72 1 8 GLU QB 1 9 HIS H . . 4.500 3.630 3.474 3.760 . 0 0 "[ . 1 . ]" 1 73 1 8 GLU QB 1 9 HIS HD2 . . 5.000 4.509 3.663 4.904 . 0 0 "[ . 1 . ]" 1 74 1 8 GLU QB 1 10 VAL H . . 5.500 5.037 4.692 5.388 . 0 0 "[ . 1 . ]" 1 75 1 8 GLU QG 1 9 HIS H . . 5.500 2.595 2.193 3.053 . 0 0 "[ . 1 . ]" 1 76 1 8 GLU QG 1 9 HIS HA . . 5.000 4.064 3.436 4.875 . 0 0 "[ . 1 . ]" 1 77 1 8 GLU QG 1 9 HIS HD2 . . 5.000 2.594 2.189 2.821 . 0 0 "[ . 1 . ]" 1 78 1 9 HIS H 1 10 VAL MG2 . . 5.500 3.947 3.193 4.383 . 0 0 "[ . 1 . ]" 1 79 1 9 HIS HA 1 9 HIS HD2 . . 5.000 4.081 2.579 4.608 . 0 0 "[ . 1 . ]" 1 80 1 9 HIS HA 1 10 VAL H . . 4.500 3.426 2.663 3.598 . 0 0 "[ . 1 . ]" 1 81 1 9 HIS HA 1 11 THR MG . . 5.000 3.922 3.305 4.786 . 0 0 "[ . 1 . ]" 1 82 1 9 HIS QB 1 10 VAL H . . 5.500 3.082 2.257 4.057 . 0 0 "[ . 1 . ]" 1 83 1 9 HIS QB 1 10 VAL MG2 . . 5.000 2.899 2.600 4.389 . 0 0 "[ . 1 . ]" 1 84 1 10 VAL H 1 10 VAL HB . . 3.500 2.601 2.294 2.822 . 0 0 "[ . 1 . ]" 1 85 1 10 VAL H 1 10 VAL MG1 . . 4.500 3.859 3.743 3.965 . 0 0 "[ . 1 . ]" 1 86 1 10 VAL H 1 10 VAL MG2 . . 4.500 2.696 2.175 3.055 . 0 0 "[ . 1 . ]" 1 87 1 10 VAL HA 1 11 THR H . . 3.500 2.198 2.057 2.331 . 0 0 "[ . 1 . ]" 1 88 1 10 VAL HA 1 11 THR MG . . 4.000 3.823 3.361 3.928 . 0 0 "[ . 1 . ]" 1 89 1 10 VAL HA 1 14 LEU QB . . 5.000 3.056 2.722 3.675 . 0 0 "[ . 1 . ]" 1 90 1 10 VAL HB 1 11 THR H . . 4.500 4.442 3.835 4.542 0.042 15 0 "[ . 1 . ]" 1 91 1 10 VAL MG1 1 11 THR H . . 4.500 3.453 2.061 3.823 . 0 0 "[ . 1 . ]" 1 92 1 10 VAL MG1 1 14 LEU QB . . 5.000 2.630 2.162 3.355 . 0 0 "[ . 1 . ]" 1 93 1 10 VAL MG1 1 14 LEU HG . . 5.000 2.707 2.244 4.078 . 0 0 "[ . 1 . ]" 1 94 1 10 VAL MG1 1 15 ARG H . . 5.500 3.307 3.025 3.676 . 0 0 "[ . 1 . ]" 1 95 1 10 VAL MG1 1 15 ARG QB . . 5.000 3.953 3.744 4.307 . 0 0 "[ . 1 . ]" 1 96 1 10 VAL MG1 1 15 ARG QD . . 5.000 3.301 2.337 3.911 . 0 0 "[ . 1 . ]" 1 97 1 10 VAL MG1 1 15 ARG QG . . 4.000 2.128 1.995 2.407 . 0 0 "[ . 1 . ]" 1 98 1 10 VAL MG1 1 61 ARG QD . . 5.000 4.233 3.775 4.618 . 0 0 "[ . 1 . ]" 1 99 1 10 VAL MG2 1 11 THR H . . 5.500 4.133 3.815 4.249 . 0 0 "[ . 1 . ]" 1 100 1 10 VAL MG2 1 61 ARG QD . . 5.000 2.302 1.930 3.277 . 0 0 "[ . 1 . ]" 1 101 1 11 THR H 1 11 THR MG . . 4.500 2.328 1.993 2.990 . 0 0 "[ . 1 . ]" 1 102 1 11 THR H 1 12 GLN H . . 5.500 4.569 4.379 4.680 . 0 0 "[ . 1 . ]" 1 103 1 11 THR H 1 14 LEU QB . . 4.500 2.919 2.007 3.944 . 0 0 "[ . 1 . ]" 1 104 1 11 THR HA 1 11 THR HB . . 3.000 2.539 2.432 2.619 . 0 0 "[ . 1 . ]" 1 105 1 11 THR HB 1 12 GLN H . . 4.500 2.610 2.471 2.845 . 0 0 "[ . 1 . ]" 1 106 1 11 THR HB 1 13 ASP H . . 4.500 2.982 2.557 3.455 . 0 0 "[ . 1 . ]" 1 107 1 11 THR MG 1 12 GLN H . . 5.500 3.691 3.485 3.931 . 0 0 "[ . 1 . ]" 1 108 1 11 THR MG 1 13 ASP H . . 5.500 4.522 4.123 4.944 . 0 0 "[ . 1 . ]" 1 109 1 12 GLN H 1 13 ASP H . . 4.500 2.948 2.579 3.240 . 0 0 "[ . 1 . ]" 1 110 1 12 GLN HA 1 12 GLN QG . . 4.000 2.886 2.370 3.502 . 0 0 "[ . 1 . ]" 1 111 1 12 GLN HA 1 13 ASP H . . 4.500 3.570 3.500 3.611 . 0 0 "[ . 1 . ]" 1 112 1 12 GLN HA 1 15 ARG H . . 4.500 3.387 3.161 3.731 . 0 0 "[ . 1 . ]" 1 113 1 12 GLN HA 1 15 ARG QB . . 4.000 2.420 2.163 2.700 . 0 0 "[ . 1 . ]" 1 114 1 12 GLN HA 1 15 ARG QD . . 5.000 2.904 2.281 3.974 . 0 0 "[ . 1 . ]" 1 115 1 12 GLN HA 1 15 ARG QG . . 4.000 3.112 2.385 3.608 . 0 0 "[ . 1 . ]" 1 116 1 12 GLN QB 1 13 ASP H . . 4.500 2.853 2.335 3.566 . 0 0 "[ . 1 . ]" 1 117 1 12 GLN QG 1 13 ASP H . . 4.500 3.825 2.348 4.270 . 0 0 "[ . 1 . ]" 1 118 1 12 GLN QG 1 13 ASP HA . . 5.000 4.071 3.413 4.992 . 0 0 "[ . 1 . ]" 1 119 1 13 ASP H 1 14 LEU H . . 4.500 2.743 2.624 2.802 . 0 0 "[ . 1 . ]" 1 120 1 13 ASP H 1 14 LEU QB . . 4.500 4.439 4.240 4.498 . 0 0 "[ . 1 . ]" 1 121 1 13 ASP HA 1 14 LEU H . . 4.500 3.591 3.574 3.620 . 0 0 "[ . 1 . ]" 1 122 1 13 ASP HA 1 16 SER H . . 4.500 3.648 3.467 3.814 . 0 0 "[ . 1 . ]" 1 123 1 13 ASP HA 1 16 SER QB . . 4.000 2.950 2.728 3.940 . 0 0 "[ . 1 . ]" 1 124 1 13 ASP HA 1 17 HIS H . . 5.500 4.082 3.895 4.271 . 0 0 "[ . 1 . ]" 1 125 1 13 ASP QB 1 14 LEU H . . 4.500 2.678 2.237 3.467 . 0 0 "[ . 1 . ]" 1 126 1 14 LEU H 1 15 ARG H . . 4.500 2.707 2.587 2.881 . 0 0 "[ . 1 . ]" 1 127 1 14 LEU HA 1 14 LEU HG . . 4.000 3.217 2.632 3.816 . 0 0 "[ . 1 . ]" 1 128 1 14 LEU HA 1 15 ARG H . . 4.500 3.596 3.549 3.621 . 0 0 "[ . 1 . ]" 1 129 1 14 LEU HA 1 17 HIS H . . 4.500 3.392 3.293 3.734 . 0 0 "[ . 1 . ]" 1 130 1 14 LEU HA 1 17 HIS QB . . 4.000 2.643 2.461 2.937 . 0 0 "[ . 1 . ]" 1 131 1 14 LEU HA 2 27 ALA MB . . 5.500 4.380 3.221 5.190 . 0 0 "[ . 1 . ]" 1 132 1 14 LEU HA 2 28 PRO QD . . 5.500 3.331 2.471 3.876 . 0 0 "[ . 1 . ]" 1 133 1 15 ARG H 1 16 SER H . . 4.500 2.863 2.735 3.010 . 0 0 "[ . 1 . ]" 1 134 1 15 ARG HA 1 15 ARG QD . . 4.000 3.967 3.870 4.031 0.031 3 0 "[ . 1 . ]" 1 135 1 15 ARG HA 1 15 ARG QG . . 4.000 2.309 2.179 2.494 . 0 0 "[ . 1 . ]" 1 136 1 15 ARG HA 1 18 LEU QB . . 4.000 2.749 2.596 2.925 . 0 0 "[ . 1 . ]" 1 137 1 15 ARG QB 1 16 SER H . . 4.500 2.396 2.246 2.514 . 0 0 "[ . 1 . ]" 1 138 1 15 ARG QG 1 16 SER H . . 5.500 4.010 3.702 4.211 . 0 0 "[ . 1 . ]" 1 139 1 16 SER H 1 17 HIS H . . 4.500 2.851 2.762 2.932 . 0 0 "[ . 1 . ]" 1 140 1 16 SER HA 1 17 HIS H . . 4.500 3.619 3.593 3.643 . 0 0 "[ . 1 . ]" 1 141 1 16 SER HA 1 19 VAL H . . 4.500 3.406 3.264 3.562 . 0 0 "[ . 1 . ]" 1 142 1 16 SER HA 1 19 VAL HB . . 3.000 2.597 2.443 2.752 . 0 0 "[ . 1 . ]" 1 143 1 16 SER HA 1 19 VAL MG1 . . 5.000 3.931 3.772 4.094 . 0 0 "[ . 1 . ]" 1 144 1 16 SER HA 1 19 VAL MG2 . . 4.000 3.054 2.878 3.301 . 0 0 "[ . 1 . ]" 1 145 1 16 SER HA 1 20 HIS H . . 4.500 4.060 3.970 4.132 . 0 0 "[ . 1 . ]" 1 146 1 16 SER QB 1 17 HIS H . . 4.500 2.625 2.447 3.508 . 0 0 "[ . 1 . ]" 1 147 1 17 HIS H 1 17 HIS QB . . 3.500 2.241 2.143 2.272 . 0 0 "[ . 1 . ]" 1 148 1 17 HIS H 1 18 LEU H . . 4.500 2.816 2.767 2.859 . 0 0 "[ . 1 . ]" 1 149 1 17 HIS HA 1 17 HIS HD2 . . 5.000 3.876 3.552 4.843 . 0 0 "[ . 1 . ]" 1 150 1 17 HIS HA 1 18 LEU H . . 4.500 3.620 3.602 3.651 . 0 0 "[ . 1 . ]" 1 151 1 17 HIS HA 1 20 HIS H . . 4.500 3.347 3.161 3.526 . 0 0 "[ . 1 . ]" 1 152 1 17 HIS HA 1 20 HIS QB . . 4.000 2.592 2.308 2.835 . 0 0 "[ . 1 . ]" 1 153 1 17 HIS HA 1 20 HIS HD2 . . 5.000 4.906 3.925 5.155 0.155 17 0 "[ . 1 . ]" 1 154 1 17 HIS QB 1 18 LEU H . . 4.500 2.619 2.416 3.352 . 0 0 "[ . 1 . ]" 1 155 1 17 HIS HD2 1 18 LEU HA . . 5.000 3.127 2.883 4.798 . 0 0 "[ . 1 . ]" 1 156 1 17 HIS HD2 1 18 LEU QB . . 5.000 4.672 4.272 4.928 . 0 0 "[ . 1 . ]" 1 157 1 17 HIS HD2 1 18 LEU HG . . 4.000 3.539 2.709 4.038 0.038 12 0 "[ . 1 . ]" 1 158 1 17 HIS HD2 2 27 ALA MB . . 5.500 2.798 2.130 4.293 . 0 0 "[ . 1 . ]" 1 159 1 18 LEU H 1 18 LEU HG . . 3.500 2.291 2.264 2.357 . 0 0 "[ . 1 . ]" 1 160 1 18 LEU H 1 19 VAL H . . 4.500 2.784 2.704 2.850 . 0 0 "[ . 1 . ]" 1 161 1 18 LEU HA 1 18 LEU HG . . 3.000 2.844 2.773 3.064 0.064 12 0 "[ . 1 . ]" 1 162 1 18 LEU HA 1 20 HIS H . . 4.500 4.385 4.275 4.509 0.009 2 0 "[ . 1 . ]" 1 163 1 18 LEU HA 2 23 LEU HG . . 5.500 5.326 4.724 5.527 0.027 2 0 "[ . 1 . ]" 1 164 1 18 LEU HG 1 19 VAL H . . 4.500 4.528 4.508 4.553 0.053 12 0 "[ . 1 . ]" 1 165 1 19 VAL H 1 19 VAL MG1 . . 4.500 3.813 3.783 3.843 . 0 0 "[ . 1 . ]" 1 166 1 19 VAL H 1 19 VAL MG2 . . 4.500 2.291 2.232 2.419 . 0 0 "[ . 1 . ]" 1 167 1 19 VAL H 1 20 HIS H . . 4.500 2.758 2.675 2.845 . 0 0 "[ . 1 . ]" 1 168 1 19 VAL HA 1 22 LEU H . . 4.500 3.451 3.329 3.596 . 0 0 "[ . 1 . ]" 1 169 1 19 VAL HA 1 22 LEU QB . . 4.000 2.703 2.291 2.926 . 0 0 "[ . 1 . ]" 1 170 1 19 VAL HA 1 22 LEU HG . . 4.000 3.645 3.326 4.114 0.114 15 0 "[ . 1 . ]" 1 171 1 19 VAL HA 1 47 ALA MB . . 4.000 2.942 2.398 3.330 . 0 0 "[ . 1 . ]" 1 172 1 19 VAL HB 1 20 HIS H . . 4.500 2.626 2.529 2.709 . 0 0 "[ . 1 . ]" 1 173 1 19 VAL MG1 1 20 HIS H . . 4.500 3.293 3.170 3.423 . 0 0 "[ . 1 . ]" 1 174 1 19 VAL MG1 1 20 HIS HA . . 5.000 3.386 3.280 3.524 . 0 0 "[ . 1 . ]" 1 175 1 19 VAL MG1 1 44 VAL HA . . 4.000 3.586 3.108 3.891 . 0 0 "[ . 1 . ]" 1 176 1 19 VAL MG1 1 47 ALA MB . . 4.000 2.261 2.067 2.539 . 0 0 "[ . 1 . ]" 1 177 1 19 VAL MG1 1 48 LYS H . . 5.500 3.159 2.902 3.407 . 0 0 "[ . 1 . ]" 1 178 1 19 VAL MG1 1 48 LYS HA . . 4.000 3.122 2.935 3.309 . 0 0 "[ . 1 . ]" 1 179 1 19 VAL MG1 1 48 LYS QB . . 5.000 3.770 3.691 3.874 . 0 0 "[ . 1 . ]" 1 180 1 19 VAL MG1 1 48 LYS QD . . 5.000 2.993 2.811 3.191 . 0 0 "[ . 1 . ]" 1 181 1 19 VAL MG1 1 48 LYS QE . . 5.000 3.809 3.792 3.825 . 0 0 "[ . 1 . ]" 1 182 1 19 VAL MG1 1 48 LYS QG . . 4.000 2.026 1.976 2.114 . 0 0 "[ . 1 . ]" 1 183 1 19 VAL MG2 1 20 HIS H . . 5.500 3.972 3.887 4.031 . 0 0 "[ . 1 . ]" 1 184 1 19 VAL MG2 1 48 LYS H . . 5.500 4.012 3.760 4.218 . 0 0 "[ . 1 . ]" 1 185 1 19 VAL MG2 1 48 LYS HA . . 4.000 2.328 2.177 2.482 . 0 0 "[ . 1 . ]" 1 186 1 19 VAL MG2 1 48 LYS QB . . 5.000 3.721 3.640 3.791 . 0 0 "[ . 1 . ]" 1 187 1 19 VAL MG2 1 48 LYS QD . . 5.000 3.677 3.492 4.115 . 0 0 "[ . 1 . ]" 1 188 1 19 VAL MG2 1 48 LYS QG . . 5.000 2.259 2.178 2.440 . 0 0 "[ . 1 . ]" 1 189 1 19 VAL MG2 1 51 GLU H . . 5.500 3.985 3.636 4.328 . 0 0 "[ . 1 . ]" 1 190 1 19 VAL MG2 1 51 GLU QB . . 4.000 2.285 2.073 2.557 . 0 0 "[ . 1 . ]" 1 191 1 19 VAL MG2 1 51 GLU QG . . 5.000 2.329 2.080 3.603 . 0 0 "[ . 1 . ]" 1 192 1 20 HIS H 1 21 LYS H . . 3.500 2.786 2.714 2.849 . 0 0 "[ . 1 . ]" 1 193 1 20 HIS HA 1 20 HIS HD2 . . 5.000 3.959 2.351 4.813 . 0 0 "[ . 1 . ]" 1 194 1 20 HIS HA 1 21 LYS H . . 3.500 3.552 3.540 3.570 0.070 14 0 "[ . 1 . ]" 1 195 1 20 HIS HA 1 22 LEU H . . 4.500 4.534 4.481 4.556 0.056 9 0 "[ . 1 . ]" 1 196 1 20 HIS HA 1 23 VAL H . . 4.500 3.466 3.301 3.577 . 0 0 "[ . 1 . ]" 1 197 1 20 HIS HA 1 23 VAL HB . . 3.000 2.613 2.396 3.032 0.032 16 0 "[ . 1 . ]" 1 198 1 20 HIS HA 1 23 VAL MG1 . . 5.000 3.997 3.782 4.421 . 0 0 "[ . 1 . ]" 1 199 1 20 HIS HA 1 23 VAL MG2 . . 4.000 3.250 2.940 3.565 . 0 0 "[ . 1 . ]" 1 200 1 20 HIS HA 1 24 GLN H . . 4.500 3.877 3.701 4.069 . 0 0 "[ . 1 . ]" 1 201 1 20 HIS QB 1 21 LYS H . . 4.500 2.548 2.342 2.689 . 0 0 "[ . 1 . ]" 1 202 1 20 HIS QB 1 21 LYS QG . . 5.000 4.349 3.329 4.776 . 0 0 "[ . 1 . ]" 1 203 1 20 HIS HD2 1 24 GLN QG . . 5.000 4.471 2.578 4.983 . 0 0 "[ . 1 . ]" 1 204 1 21 LYS H 1 21 LYS QB . . 3.500 2.172 2.047 2.519 . 0 0 "[ . 1 . ]" 1 205 1 21 LYS H 1 21 LYS QG . . 4.500 3.268 2.178 3.761 . 0 0 "[ . 1 . ]" 1 206 1 21 LYS H 1 22 LEU H . . 3.500 2.831 2.736 2.997 . 0 0 "[ . 1 . ]" 1 207 1 21 LYS HA 1 21 LYS QD . . 3.000 2.459 2.175 2.768 . 0 0 "[ . 1 . ]" 1 208 1 21 LYS HA 1 21 LYS QG . . 4.000 2.414 2.239 2.915 . 0 0 "[ . 1 . ]" 1 209 1 21 LYS HA 1 24 GLN QB . . 4.000 2.610 2.231 2.970 . 0 0 "[ . 1 . ]" 1 210 1 21 LYS HA 1 24 GLN QG . . 4.000 3.492 2.706 3.947 . 0 0 "[ . 1 . ]" 1 211 1 21 LYS QB 1 72 ILE MD . . 4.000 3.029 2.238 3.769 . 0 0 "[ . 1 . ]" 1 212 1 21 LYS QD 2 23 LEU HA . . 4.000 3.851 3.425 3.969 . 0 0 "[ . 1 . ]" 1 213 1 21 LYS QE 2 22 ASP HA . . 5.500 5.122 4.527 5.376 . 0 0 "[ . 1 . ]" 1 214 1 21 LYS QE 2 23 LEU HA . . 4.000 2.541 2.231 3.104 . 0 0 "[ . 1 . ]" 1 215 1 21 LYS QE 2 23 LEU QB . . 5.500 3.637 2.920 4.665 . 0 0 "[ . 1 . ]" 1 216 1 21 LYS QE 2 23 LEU HG . . 5.500 4.681 3.283 5.296 . 0 0 "[ . 1 . ]" 1 217 1 21 LYS QG 1 22 LEU H . . 5.500 4.418 4.048 4.600 . 0 0 "[ . 1 . ]" 1 218 1 21 LYS QG 2 23 LEU HA . . 5.500 3.400 2.947 4.072 . 0 0 "[ . 1 . ]" 1 219 1 22 LEU H 1 23 VAL H . . 3.500 2.800 2.715 2.886 . 0 0 "[ . 1 . ]" 1 220 1 22 LEU H 1 23 VAL HB . . 5.500 4.891 4.736 5.114 . 0 0 "[ . 1 . ]" 1 221 1 22 LEU H 1 23 VAL MG2 . . 5.500 4.411 4.313 4.587 . 0 0 "[ . 1 . ]" 1 222 1 22 LEU H 1 72 ILE MD . . 5.500 4.055 3.739 4.235 . 0 0 "[ . 1 . ]" 1 223 1 22 LEU HA 1 23 VAL H . . 4.500 3.600 3.578 3.616 . 0 0 "[ . 1 . ]" 1 224 1 22 LEU HA 1 25 ALA MB . . 4.000 2.769 2.617 3.159 . 0 0 "[ . 1 . ]" 1 225 1 22 LEU HA 1 72 ILE MD . . 5.000 3.029 2.290 3.284 . 0 0 "[ . 1 . ]" 1 226 1 22 LEU QB 1 23 VAL H . . 3.500 2.423 2.289 2.642 . 0 0 "[ . 1 . ]" 1 227 1 22 LEU QB 1 23 VAL MG2 . . 4.000 3.149 2.979 3.430 . 0 0 "[ . 1 . ]" 1 228 1 22 LEU QB 1 47 ALA HA . . 5.000 3.318 2.872 4.683 . 0 0 "[ . 1 . ]" 1 229 1 22 LEU QB 1 47 ALA MB . . 4.000 2.215 2.079 3.020 . 0 0 "[ . 1 . ]" 1 230 1 22 LEU QB 1 72 ILE MD . . 5.000 4.430 3.054 4.623 . 0 0 "[ . 1 . ]" 1 231 1 22 LEU HG 1 72 ILE MD . . 5.000 3.743 3.280 4.801 . 0 0 "[ . 1 . ]" 1 232 1 23 VAL H 1 23 VAL HB . . 3.500 2.466 2.368 2.530 . 0 0 "[ . 1 . ]" 1 233 1 23 VAL H 1 24 GLN H . . 3.500 2.885 2.648 3.057 . 0 0 "[ . 1 . ]" 1 234 1 23 VAL HA 1 24 GLN H . . 4.500 3.602 3.543 3.635 . 0 0 "[ . 1 . ]" 1 235 1 23 VAL HA 1 25 ALA H . . 4.500 4.494 4.354 4.538 0.038 3 0 "[ . 1 . ]" 1 236 1 23 VAL HA 1 26 ILE H . . 5.500 3.563 3.321 3.871 . 0 0 "[ . 1 . ]" 1 237 1 23 VAL HA 1 26 ILE HB . . 4.000 2.901 2.429 3.813 . 0 0 "[ . 1 . ]" 1 238 1 23 VAL HA 1 26 ILE MG . . 5.000 4.205 3.785 4.790 . 0 0 "[ . 1 . ]" 1 239 1 23 VAL HB 1 24 GLN H . . 3.500 2.576 2.250 2.790 . 0 0 "[ . 1 . ]" 1 240 1 23 VAL MG1 1 24 GLN H . . 4.500 3.205 2.993 3.420 . 0 0 "[ . 1 . ]" 1 241 1 23 VAL MG1 1 24 GLN HA . . 5.000 3.381 3.196 3.571 . 0 0 "[ . 1 . ]" 1 242 1 23 VAL MG1 1 24 GLN QG . . 5.000 3.660 3.188 4.199 . 0 0 "[ . 1 . ]" 1 243 1 23 VAL MG1 1 27 PHE QB . . 5.000 3.133 2.235 3.526 . 0 0 "[ . 1 . ]" 1 244 1 23 VAL MG1 1 40 MET ME . . 4.000 2.408 1.923 3.274 . 0 0 "[ . 1 . ]" 1 245 1 23 VAL MG1 1 43 LEU QB . . 5.000 3.343 2.189 4.648 . 0 0 "[ . 1 . ]" 1 246 1 23 VAL MG1 1 47 ALA MB . . 5.000 4.034 3.870 4.273 . 0 0 "[ . 1 . ]" 1 247 1 23 VAL MG2 1 44 VAL HA . . 4.000 2.135 2.066 2.241 . 0 0 "[ . 1 . ]" 1 248 1 24 GLN H 1 24 GLN QG . . 4.500 2.294 2.127 2.404 . 0 0 "[ . 1 . ]" 1 249 1 24 GLN H 1 25 ALA H . . 4.500 2.859 2.787 2.999 . 0 0 "[ . 1 . ]" 1 250 1 24 GLN HA 1 24 GLN QG . . 4.000 2.616 2.284 3.098 . 0 0 "[ . 1 . ]" 1 251 1 24 GLN HA 1 28 PRO HA . . 4.000 2.612 2.246 3.607 . 0 0 "[ . 1 . ]" 1 252 1 24 GLN QB 1 25 ALA H . . 4.500 2.571 2.405 2.773 . 0 0 "[ . 1 . ]" 1 253 1 24 GLN QB 1 25 ALA HA . . 4.000 3.898 3.791 3.947 . 0 0 "[ . 1 . ]" 1 254 1 24 GLN QB 1 28 PRO HA . . 5.000 3.366 2.863 4.365 . 0 0 "[ . 1 . ]" 1 255 1 25 ALA HA 1 26 ILE H . . 4.500 3.568 3.515 3.590 . 0 0 "[ . 1 . ]" 1 256 1 25 ALA MB 1 26 ILE H . . 4.500 2.587 2.366 2.906 . 0 0 "[ . 1 . ]" 1 257 1 25 ALA MB 1 26 ILE HA . . 5.000 3.942 3.818 4.198 . 0 0 "[ . 1 . ]" 1 258 1 25 ALA MB 1 26 ILE HB . . 5.000 4.420 3.962 4.747 . 0 0 "[ . 1 . ]" 1 259 1 25 ALA MB 1 72 ILE HA . . 5.000 3.213 2.502 3.807 . 0 0 "[ . 1 . ]" 1 260 1 25 ALA MB 1 72 ILE MD . . 5.000 2.666 2.265 3.028 . 0 0 "[ . 1 . ]" 1 261 1 25 ALA MB 1 75 ILE HB . . 5.000 4.259 3.392 4.811 . 0 0 "[ . 1 . ]" 1 262 1 25 ALA MB 1 76 GLN QG . . 5.000 3.542 2.676 4.602 . 0 0 "[ . 1 . ]" 1 263 1 25 ALA MB 2 19 ILE MD . . 5.500 4.814 4.605 4.899 . 0 0 "[ . 1 . ]" 1 264 1 25 ALA MB 2 19 ILE MG . . 5.500 4.342 4.046 4.623 . 0 0 "[ . 1 . ]" 1 265 1 26 ILE H 1 26 ILE MD . . 4.500 3.427 3.216 4.162 . 0 0 "[ . 1 . ]" 1 266 1 26 ILE H 1 26 ILE MG . . 4.500 3.758 3.683 3.832 . 0 0 "[ . 1 . ]" 1 267 1 26 ILE H 1 27 PHE H . . 3.500 2.534 2.015 2.786 . 0 0 "[ . 1 . ]" 1 268 1 26 ILE HA 1 27 PHE H . . 4.500 3.569 3.556 3.582 . 0 0 "[ . 1 . ]" 1 269 1 26 ILE HB 1 27 PHE H . . 4.500 2.609 2.282 2.820 . 0 0 "[ . 1 . ]" 1 270 1 26 ILE MG 1 27 PHE H . . 4.500 3.339 2.969 3.523 . 0 0 "[ . 1 . ]" 1 271 1 26 ILE MG 1 27 PHE HA . . 5.000 4.001 3.589 4.248 . 0 0 "[ . 1 . ]" 1 272 1 26 ILE MG 1 27 PHE QB . . 5.000 2.614 2.339 3.927 . 0 0 "[ . 1 . ]" 1 273 1 27 PHE HA 1 28 PRO QD . . 4.000 2.070 2.043 2.108 . 0 0 "[ . 1 . ]" 1 274 1 27 PHE HA 1 28 PRO QG . . 5.000 3.979 3.957 4.009 . 0 0 "[ . 1 . ]" 1 275 1 27 PHE HA 1 40 MET ME . . 5.000 4.664 4.291 4.770 . 0 0 "[ . 1 . ]" 1 276 1 27 PHE QB 1 28 PRO QD . . 5.000 3.775 3.564 3.880 . 0 0 "[ . 1 . ]" 1 277 1 27 PHE QB 1 40 MET ME . . 5.000 2.407 2.113 2.761 . 0 0 "[ . 1 . ]" 1 278 1 28 PRO HA 1 29 THR H . . 3.500 2.377 2.196 3.523 0.023 15 0 "[ . 1 . ]" 1 279 1 28 PRO QB 1 29 THR H . . 4.500 3.651 2.540 3.995 . 0 0 "[ . 1 . ]" 1 280 1 28 PRO QD 1 29 THR H . . 5.500 4.579 2.889 4.995 . 0 0 "[ . 1 . ]" 1 281 1 29 THR H 1 29 THR MG . . 4.500 3.130 2.161 4.024 . 0 0 "[ . 1 . ]" 1 282 1 29 THR H 1 30 PRO QD . . 5.500 4.183 3.282 4.362 . 0 0 "[ . 1 . ]" 1 283 1 29 THR HA 1 30 PRO QD . . 3.000 2.040 2.001 2.089 . 0 0 "[ . 1 . ]" 1 284 1 29 THR HA 1 30 PRO QG . . 5.000 3.973 3.952 3.994 . 0 0 "[ . 1 . ]" 1 285 1 29 THR HA 1 34 ALA MB . . 5.000 3.593 3.219 4.174 . 0 0 "[ . 1 . ]" 1 286 1 29 THR HB 1 30 PRO QD . . 4.000 3.845 3.412 4.043 0.043 4 0 "[ . 1 . ]" 1 287 1 29 THR HB 1 34 ALA MB . . 5.000 4.310 3.433 4.761 . 0 0 "[ . 1 . ]" 1 288 1 29 THR MG 1 30 PRO QD . . 5.000 2.947 2.255 4.069 . 0 0 "[ . 1 . ]" 1 289 1 29 THR MG 1 31 ASP H . . 5.500 3.419 2.415 4.877 . 0 0 "[ . 1 . ]" 1 290 1 29 THR MG 1 32 PRO HA . . 5.000 3.585 2.738 4.771 . 0 0 "[ . 1 . ]" 1 291 1 29 THR MG 1 34 ALA MB . . 5.000 2.842 2.005 4.507 . 0 0 "[ . 1 . ]" 1 292 1 29 THR MG 1 40 MET ME . . 5.000 2.418 2.015 3.609 . 0 0 "[ . 1 . ]" 1 293 1 30 PRO HA 1 31 ASP H . . 3.500 3.557 3.424 3.590 0.090 15 0 "[ . 1 . ]" 1 294 1 30 PRO QB 1 31 ASP H . . 4.500 3.089 1.956 3.437 . 0 0 "[ . 1 . ]" 1 295 1 30 PRO QD 1 31 ASP H . . 4.500 2.565 2.307 3.680 . 0 0 "[ . 1 . ]" 1 296 1 30 PRO QD 1 34 ALA MB . . 5.000 2.325 2.147 2.731 . 0 0 "[ . 1 . ]" 1 297 1 30 PRO QG 1 34 ALA H . . 5.500 4.262 3.851 5.374 . 0 0 "[ . 1 . ]" 1 298 1 30 PRO QG 1 34 ALA MB . . 5.000 2.529 2.252 3.262 . 0 0 "[ . 1 . ]" 1 299 1 31 ASP H 1 32 PRO QD . . 4.500 4.253 4.168 4.429 . 0 0 "[ . 1 . ]" 1 300 1 31 ASP H 1 34 ALA MB . . 4.500 2.883 2.130 3.795 . 0 0 "[ . 1 . ]" 1 301 1 31 ASP HA 1 32 PRO QD . . 3.000 2.083 2.040 2.162 . 0 0 "[ . 1 . ]" 1 302 1 31 ASP HA 1 32 PRO QG . . 5.000 3.973 3.933 4.026 . 0 0 "[ . 1 . ]" 1 303 1 31 ASP HA 1 33 ALA H . . 4.500 4.333 4.156 4.526 0.026 15 0 "[ . 1 . ]" 1 304 1 31 ASP QB 1 32 PRO QD . . 5.000 3.215 2.126 3.477 . 0 0 "[ . 1 . ]" 1 305 1 31 ASP QB 1 34 ALA H . . 5.500 3.577 3.272 4.485 . 0 0 "[ . 1 . ]" 1 306 1 31 ASP QB 1 34 ALA MB . . 5.000 3.806 3.450 4.618 . 0 0 "[ . 1 . ]" 1 307 1 32 PRO HA 1 35 LEU HG . . 3.000 2.691 2.320 3.024 0.024 12 0 "[ . 1 . ]" 1 308 1 32 PRO QB 1 33 ALA H . . 4.500 2.806 2.630 3.375 . 0 0 "[ . 1 . ]" 1 309 1 32 PRO QD 1 34 ALA H . . 5.500 4.798 4.581 4.908 . 0 0 "[ . 1 . ]" 1 310 1 32 PRO QG 1 33 ALA H . . 4.500 3.986 2.696 4.200 . 0 0 "[ . 1 . ]" 1 311 1 33 ALA H 1 33 ALA MB . . 3.500 2.225 2.211 2.307 . 0 0 "[ . 1 . ]" 1 312 1 33 ALA H 1 34 ALA H . . 3.500 2.829 2.419 2.895 . 0 0 "[ . 1 . ]" 1 313 1 33 ALA H 1 35 LEU H . . 4.500 4.418 4.163 4.579 0.079 12 0 "[ . 1 . ]" 1 314 1 33 ALA HA 1 36 LYS QB . . 4.000 3.910 3.660 3.955 . 0 0 "[ . 1 . ]" 1 315 1 33 ALA HA 1 36 LYS QD . . 4.000 3.066 2.401 3.996 . 0 0 "[ . 1 . ]" 1 316 1 34 ALA H 1 35 LEU H . . 3.500 2.817 2.708 2.975 . 0 0 "[ . 1 . ]" 1 317 1 34 ALA H 1 35 LEU HG . . 4.500 4.347 4.133 4.574 0.074 12 0 "[ . 1 . ]" 1 318 1 34 ALA HA 1 37 ASP QB . . 5.000 3.571 3.160 4.101 . 0 0 "[ . 1 . ]" 1 319 1 34 ALA MB 1 35 LEU H . . 4.500 2.744 2.445 2.978 . 0 0 "[ . 1 . ]" 1 320 1 34 ALA MB 1 35 LEU HA . . 5.000 3.900 3.757 4.028 . 0 0 "[ . 1 . ]" 1 321 1 35 LEU H 1 36 LYS H . . 3.500 2.794 2.702 2.920 . 0 0 "[ . 1 . ]" 1 322 1 35 LEU HA 1 40 MET QB . . 5.000 2.456 2.016 3.163 . 0 0 "[ . 1 . ]" 1 323 1 35 LEU HA 1 40 MET ME . . 4.000 3.698 2.595 3.962 . 0 0 "[ . 1 . ]" 1 324 1 35 LEU HA 1 40 MET QG . . 5.000 2.331 1.924 3.483 . 0 0 "[ . 1 . ]" 1 325 1 35 LEU HA 1 44 VAL MG2 . . 5.000 3.577 3.001 4.007 . 0 0 "[ . 1 . ]" 1 326 1 36 LYS H 1 36 LYS QB . . 3.500 2.407 2.273 2.504 . 0 0 "[ . 1 . ]" 1 327 1 36 LYS H 1 36 LYS QG . . 4.500 2.391 2.159 3.493 . 0 0 "[ . 1 . ]" 1 328 1 36 LYS H 1 37 ASP QB . . 5.500 4.365 4.234 4.759 . 0 0 "[ . 1 . ]" 1 329 1 36 LYS HA 1 36 LYS QD . . 4.000 3.678 2.198 4.072 0.072 13 0 "[ . 1 . ]" 1 330 1 36 LYS HA 1 36 LYS QE . . 5.000 4.494 2.208 4.928 . 0 0 "[ . 1 . ]" 1 331 1 36 LYS HA 1 36 LYS QG . . 4.000 2.435 2.280 3.149 . 0 0 "[ . 1 . ]" 1 332 1 37 ASP H 1 38 ARG H . . 5.500 4.587 4.495 4.681 . 0 0 "[ . 1 . ]" 1 333 1 37 ASP HA 1 38 ARG QG . . 5.000 4.536 3.598 5.017 0.017 12 0 "[ . 1 . ]" 1 334 1 37 ASP QB 1 38 ARG H . . 5.500 3.734 3.190 3.903 . 0 0 "[ . 1 . ]" 1 335 1 37 ASP QB 1 39 ARG QB . . 5.000 3.842 3.266 4.510 . 0 0 "[ . 1 . ]" 1 336 1 37 ASP QB 1 40 MET H . . 5.500 2.774 2.524 3.033 . 0 0 "[ . 1 . ]" 1 337 1 37 ASP QB 1 40 MET QG . . 5.000 3.657 2.277 4.478 . 0 0 "[ . 1 . ]" 1 338 1 38 ARG H 1 38 ARG QG . . 4.500 2.858 2.110 3.362 . 0 0 "[ . 1 . ]" 1 339 1 38 ARG HA 1 38 ARG QD . . 4.000 3.337 2.190 3.985 . 0 0 "[ . 1 . ]" 1 340 1 38 ARG HA 1 38 ARG QG . . 3.000 2.318 2.090 2.492 . 0 0 "[ . 1 . ]" 1 341 1 38 ARG HA 1 41 GLU QB . . 4.000 2.227 1.981 2.627 . 0 0 "[ . 1 . ]" 1 342 1 38 ARG HA 1 41 GLU QG . . 4.000 3.894 3.517 4.002 0.002 2 0 "[ . 1 . ]" 1 343 1 38 ARG QG 1 41 GLU QG . . 5.000 4.596 3.985 4.789 . 0 0 "[ . 1 . ]" 1 344 1 39 ARG H 1 40 MET H . . 4.500 2.678 2.261 2.826 . 0 0 "[ . 1 . ]" 1 345 1 39 ARG HA 1 39 ARG QD . . 4.000 3.192 2.176 4.087 0.087 14 0 "[ . 1 . ]" 1 346 1 39 ARG HA 1 40 MET H . . 4.500 3.585 3.563 3.614 . 0 0 "[ . 1 . ]" 1 347 1 39 ARG HA 1 42 ASN QB . . 4.000 2.998 2.233 3.973 . 0 0 "[ . 1 . ]" 1 348 1 39 ARG QB 1 40 MET H . . 4.500 2.548 2.251 3.519 . 0 0 "[ . 1 . ]" 1 349 1 39 ARG QG 1 40 MET H . . 4.500 3.786 2.124 4.147 . 0 0 "[ . 1 . ]" 1 350 1 40 MET H 1 40 MET QG . . 4.500 3.627 2.121 4.068 . 0 0 "[ . 1 . ]" 1 351 1 40 MET H 1 41 GLU H . . 4.500 2.606 2.356 2.839 . 0 0 "[ . 1 . ]" 1 352 1 40 MET HA 1 40 MET ME . . 4.000 3.465 2.824 3.962 . 0 0 "[ . 1 . ]" 1 353 1 40 MET HA 1 40 MET QG . . 4.000 2.765 2.085 3.092 . 0 0 "[ . 1 . ]" 1 354 1 40 MET HA 1 41 GLU H . . 4.500 3.573 3.550 3.595 . 0 0 "[ . 1 . ]" 1 355 1 40 MET HA 1 43 LEU H . . 4.500 3.224 3.059 3.580 . 0 0 "[ . 1 . ]" 1 356 1 40 MET HA 1 43 LEU QB . . 4.000 3.128 2.453 3.970 . 0 0 "[ . 1 . ]" 1 357 1 40 MET HA 1 43 LEU HG . . 4.000 2.723 2.114 3.511 . 0 0 "[ . 1 . ]" 1 358 1 40 MET QB 1 40 MET ME . . 4.000 2.976 2.166 3.704 . 0 0 "[ . 1 . ]" 1 359 1 40 MET QG 1 44 VAL MG2 . . 5.000 3.055 2.223 4.620 . 0 0 "[ . 1 . ]" 1 360 1 41 GLU H 1 41 GLU QG . . 4.500 3.997 3.904 4.104 . 0 0 "[ . 1 . ]" 1 361 1 41 GLU H 1 42 ASN H . . 4.500 2.840 2.702 2.969 . 0 0 "[ . 1 . ]" 1 362 1 41 GLU HA 1 41 GLU QG . . 3.000 2.609 2.329 3.035 0.035 16 0 "[ . 1 . ]" 1 363 1 41 GLU HA 1 42 ASN H . . 3.500 3.558 3.540 3.572 0.072 7 0 "[ . 1 . ]" 1 364 1 41 GLU HA 1 43 LEU H . . 4.500 4.372 3.992 4.593 0.093 3 0 "[ . 1 . ]" 1 365 1 41 GLU HA 1 44 VAL H . . 4.500 3.353 2.977 3.629 . 0 0 "[ . 1 . ]" 1 366 1 41 GLU HA 1 44 VAL HB . . 3.000 2.396 2.185 2.623 . 0 0 "[ . 1 . ]" 1 367 1 41 GLU HA 1 44 VAL MG1 . . 4.000 3.689 3.553 3.816 . 0 0 "[ . 1 . ]" 1 368 1 41 GLU HA 1 44 VAL MG2 . . 4.000 2.950 2.344 3.439 . 0 0 "[ . 1 . ]" 1 369 1 41 GLU QB 1 42 ASN H . . 4.500 2.589 2.376 3.105 . 0 0 "[ . 1 . ]" 1 370 1 41 GLU QG 1 42 ASN H . . 5.500 3.889 3.434 4.294 . 0 0 "[ . 1 . ]" 1 371 1 41 GLU QG 1 42 ASN HA . . 5.000 4.141 3.648 4.911 . 0 0 "[ . 1 . ]" 1 372 1 41 GLU QG 1 45 ALA MB . . 5.000 3.653 3.259 4.319 . 0 0 "[ . 1 . ]" 1 373 1 42 ASN H 1 42 ASN QB . . 3.500 2.269 2.085 2.575 . 0 0 "[ . 1 . ]" 1 374 1 42 ASN H 1 43 LEU H . . 3.500 2.762 2.534 2.879 . 0 0 "[ . 1 . ]" 1 375 1 42 ASN HA 1 45 ALA MB . . 4.000 2.556 2.422 2.702 . 0 0 "[ . 1 . ]" 1 376 1 42 ASN QB 1 43 LEU H . . 4.500 2.784 2.580 3.452 . 0 0 "[ . 1 . ]" 1 377 1 43 LEU H 1 43 LEU HG . . 3.500 2.362 2.104 2.522 . 0 0 "[ . 1 . ]" 1 378 1 43 LEU H 1 44 VAL H . . 4.500 2.556 2.423 2.679 . 0 0 "[ . 1 . ]" 1 379 1 43 LEU H 1 44 VAL HB . . 4.500 4.556 4.538 4.575 0.075 16 0 "[ . 1 . ]" 1 380 1 43 LEU H 1 44 VAL MG2 . . 5.500 4.157 3.770 4.378 . 0 0 "[ . 1 . ]" 1 381 1 43 LEU HA 1 46 TYR QB . . 4.000 2.390 2.219 2.565 . 0 0 "[ . 1 . ]" 1 382 1 43 LEU QB 1 44 VAL H . . 4.500 2.862 2.533 3.732 . 0 0 "[ . 1 . ]" 1 383 1 43 LEU HG 1 44 VAL H . . 4.500 3.949 2.668 4.476 . 0 0 "[ . 1 . ]" 1 384 1 44 VAL H 1 44 VAL HB . . 3.500 2.354 2.244 2.523 . 0 0 "[ . 1 . ]" 1 385 1 44 VAL H 1 44 VAL MG1 . . 4.500 3.740 3.698 3.776 . 0 0 "[ . 1 . ]" 1 386 1 44 VAL H 1 44 VAL MG2 . . 4.500 2.258 2.031 2.427 . 0 0 "[ . 1 . ]" 1 387 1 44 VAL H 1 45 ALA H . . 4.500 2.730 2.628 2.799 . 0 0 "[ . 1 . ]" 1 388 1 44 VAL HA 1 47 ALA H . . 5.500 3.476 3.341 3.551 . 0 0 "[ . 1 . ]" 1 389 1 44 VAL HA 1 47 ALA MB . . 4.000 2.515 2.383 2.653 . 0 0 "[ . 1 . ]" 1 390 1 44 VAL HB 1 45 ALA MB . . 5.000 4.112 4.033 4.182 . 0 0 "[ . 1 . ]" 1 391 1 44 VAL MG1 1 45 ALA H . . 4.500 3.255 3.058 3.532 . 0 0 "[ . 1 . ]" 1 392 1 44 VAL MG1 1 45 ALA HA . . 4.000 3.513 3.341 3.760 . 0 0 "[ . 1 . ]" 1 393 1 44 VAL MG1 1 48 LYS QB . . 5.000 4.139 3.982 4.268 . 0 0 "[ . 1 . ]" 1 394 1 44 VAL MG1 1 48 LYS QD . . 4.000 3.108 2.039 3.425 . 0 0 "[ . 1 . ]" 1 395 1 44 VAL MG1 1 48 LYS QE . . 4.000 2.271 2.120 3.776 . 0 0 "[ . 1 . ]" 1 396 1 44 VAL MG1 1 48 LYS QG . . 5.000 2.938 2.650 3.131 . 0 0 "[ . 1 . ]" 1 397 1 44 VAL MG2 1 45 ALA H . . 4.500 3.963 3.844 4.032 . 0 0 "[ . 1 . ]" 1 398 1 45 ALA H 1 45 ALA MB . . 3.500 2.239 2.234 2.249 . 0 0 "[ . 1 . ]" 1 399 1 45 ALA HA 1 46 TYR H . . 4.500 3.605 3.595 3.631 . 0 0 "[ . 1 . ]" 1 400 1 45 ALA HA 1 48 LYS QB . . 4.000 2.692 2.471 2.785 . 0 0 "[ . 1 . ]" 1 401 1 45 ALA HA 1 48 LYS QG . . 5.000 3.738 3.560 3.884 . 0 0 "[ . 1 . ]" 1 402 1 45 ALA MB 1 46 TYR H . . 4.500 2.424 2.352 2.550 . 0 0 "[ . 1 . ]" 1 403 1 45 ALA MB 1 46 TYR HA . . 5.000 3.896 3.863 3.939 . 0 0 "[ . 1 . ]" 1 404 1 45 ALA MB 1 48 LYS QE . . 5.000 3.531 3.259 4.619 . 0 0 "[ . 1 . ]" 1 405 1 46 TYR H 1 46 TYR QB . . 3.500 2.213 2.161 2.267 . 0 0 "[ . 1 . ]" 1 406 1 46 TYR H 1 47 ALA H . . 4.500 2.844 2.812 2.872 . 0 0 "[ . 1 . ]" 1 407 1 46 TYR HA 1 47 ALA H . . 4.500 3.598 3.580 3.614 . 0 0 "[ . 1 . ]" 1 408 1 46 TYR HA 1 49 LYS H . . 4.500 3.473 3.348 3.664 . 0 0 "[ . 1 . ]" 1 409 1 46 TYR HA 1 49 LYS QB . . 4.000 2.581 2.227 2.849 . 0 0 "[ . 1 . ]" 1 410 1 46 TYR HA 1 50 VAL H . . 4.500 3.916 3.776 4.013 . 0 0 "[ . 1 . ]" 1 411 1 46 TYR QB 1 47 ALA H . . 4.500 2.523 2.407 2.665 . 0 0 "[ . 1 . ]" 1 412 1 47 ALA H 1 48 LYS H . . 4.500 2.843 2.776 2.912 . 0 0 "[ . 1 . ]" 1 413 1 47 ALA HA 1 48 LYS H . . 5.500 3.612 3.582 3.624 . 0 0 "[ . 1 . ]" 1 414 1 47 ALA HA 1 50 VAL HB . . 3.000 2.628 2.417 2.912 . 0 0 "[ . 1 . ]" 1 415 1 47 ALA HA 1 50 VAL MG2 . . 5.000 3.408 3.274 3.630 . 0 0 "[ . 1 . ]" 1 416 1 47 ALA MB 1 48 LYS H . . 4.500 2.524 2.449 2.653 . 0 0 "[ . 1 . ]" 1 417 1 47 ALA MB 1 48 LYS QG . . 4.000 3.354 3.093 3.521 . 0 0 "[ . 1 . ]" 1 418 1 48 LYS H 1 48 LYS QG . . 4.500 2.397 2.264 2.463 . 0 0 "[ . 1 . ]" 1 419 1 48 LYS H 1 49 LYS H . . 4.500 2.772 2.717 2.842 . 0 0 "[ . 1 . ]" 1 420 1 48 LYS HA 1 48 LYS QD . . 4.000 3.944 3.920 4.035 0.035 8 0 "[ . 1 . ]" 1 421 1 48 LYS HA 1 48 LYS QG . . 4.000 2.249 2.226 2.266 . 0 0 "[ . 1 . ]" 1 422 1 48 LYS HA 1 51 GLU H . . 4.500 3.544 3.385 3.663 . 0 0 "[ . 1 . ]" 1 423 1 48 LYS HA 1 51 GLU QB . . 4.000 2.542 2.252 2.711 . 0 0 "[ . 1 . ]" 1 424 1 48 LYS QB 1 48 LYS QE . . 4.000 2.248 2.103 2.696 . 0 0 "[ . 1 . ]" 1 425 1 48 LYS QG 1 49 LYS H . . 4.500 4.213 4.170 4.247 . 0 0 "[ . 1 . ]" 1 426 1 49 LYS H 1 49 LYS QB . . 3.500 2.303 2.153 2.480 . 0 0 "[ . 1 . ]" 1 427 1 49 LYS H 1 49 LYS QG . . 4.500 3.095 2.261 4.001 . 0 0 "[ . 1 . ]" 1 428 1 49 LYS H 1 50 VAL H . . 3.500 2.840 2.763 2.918 . 0 0 "[ . 1 . ]" 1 429 1 49 LYS HA 1 49 LYS QD . . 4.000 3.773 2.386 4.005 0.005 5 0 "[ . 1 . ]" 1 430 1 49 LYS HA 1 49 LYS QG . . 4.000 2.347 2.213 3.224 . 0 0 "[ . 1 . ]" 1 431 1 49 LYS HA 1 50 VAL H . . 4.500 3.597 3.583 3.628 . 0 0 "[ . 1 . ]" 1 432 1 49 LYS HA 1 53 ASP H . . 5.500 3.974 3.829 4.121 . 0 0 "[ . 1 . ]" 1 433 1 49 LYS QB 1 50 VAL H . . 3.500 2.457 2.344 2.566 . 0 0 "[ . 1 . ]" 1 434 1 50 VAL H 1 50 VAL MG1 . . 4.500 3.763 3.740 3.798 . 0 0 "[ . 1 . ]" 1 435 1 50 VAL H 1 50 VAL MG2 . . 4.500 2.305 2.254 2.389 . 0 0 "[ . 1 . ]" 1 436 1 50 VAL H 1 51 GLU H . . 4.500 2.876 2.816 2.962 . 0 0 "[ . 1 . ]" 1 437 1 50 VAL HA 1 53 ASP H . . 4.500 3.530 3.406 3.673 . 0 0 "[ . 1 . ]" 1 438 1 50 VAL HA 1 53 ASP QB . . 4.000 2.632 2.416 2.799 . 0 0 "[ . 1 . ]" 1 439 1 50 VAL HA 1 54 MET H . . 4.500 3.887 3.750 4.000 . 0 0 "[ . 1 . ]" 1 440 1 50 VAL HA 1 54 MET ME . . 5.000 3.927 3.334 4.216 . 0 0 "[ . 1 . ]" 1 441 1 50 VAL HB 1 51 GLU H . . 3.500 2.493 2.408 2.582 . 0 0 "[ . 1 . ]" 1 442 1 50 VAL HB 1 51 GLU HA . . 5.000 4.495 4.434 4.594 . 0 0 "[ . 1 . ]" 1 443 1 50 VAL MG1 1 54 MET QB . . 4.000 3.754 3.353 3.808 . 0 0 "[ . 1 . ]" 1 444 1 50 VAL MG1 1 54 MET ME . . 4.000 2.340 2.026 2.516 . 0 0 "[ . 1 . ]" 1 445 1 50 VAL MG1 1 54 MET QG . . 5.000 2.589 2.380 3.900 . 0 0 "[ . 1 . ]" 1 446 1 50 VAL MG1 1 71 LYS QD . . 4.000 3.297 1.955 3.786 . 0 0 "[ . 1 . ]" 1 447 1 50 VAL MG1 1 71 LYS QG . . 4.000 2.541 2.094 3.830 . 0 0 "[ . 1 . ]" 1 448 1 50 VAL MG2 1 51 GLU H . . 4.500 3.953 3.910 4.001 . 0 0 "[ . 1 . ]" 1 449 1 50 VAL MG2 1 54 MET ME . . 4.000 3.687 3.603 3.707 . 0 0 "[ . 1 . ]" 1 450 1 50 VAL MG2 1 71 LYS QD . . 5.000 4.017 2.475 4.573 . 0 0 "[ . 1 . ]" 1 451 1 50 VAL MG2 1 71 LYS QE . . 5.000 2.823 2.220 4.008 . 0 0 "[ . 1 . ]" 1 452 1 50 VAL MG2 1 71 LYS QG . . 5.000 3.711 2.884 4.634 . 0 0 "[ . 1 . ]" 1 453 1 51 GLU H 1 52 GLY H . . 4.500 2.893 2.824 2.964 . 0 0 "[ . 1 . ]" 1 454 1 51 GLU HA 1 54 MET QB . . 5.000 2.739 2.542 3.016 . 0 0 "[ . 1 . ]" 1 455 1 51 GLU HA 1 54 MET QG . . 5.000 3.456 3.211 3.985 . 0 0 "[ . 1 . ]" 1 456 1 51 GLU QB 1 52 GLY H . . 5.500 2.506 2.338 2.629 . 0 0 "[ . 1 . ]" 1 457 1 52 GLY H 1 53 ASP H . . 3.500 2.844 2.780 2.935 . 0 0 "[ . 1 . ]" 1 458 1 52 GLY QA 1 53 ASP H . . 4.500 2.624 2.568 2.659 . 0 0 "[ . 1 . ]" 1 459 1 52 GLY QA 1 55 TYR QB . . 5.000 2.657 2.358 2.914 . 0 0 "[ . 1 . ]" 1 460 1 52 GLY QA 1 56 GLU H . . 4.500 3.793 3.651 3.943 . 0 0 "[ . 1 . ]" 1 461 1 53 ASP H 1 53 ASP QB . . 3.500 2.374 2.239 2.602 . 0 0 "[ . 1 . ]" 1 462 1 53 ASP HA 1 56 GLU QB . . 4.000 2.979 2.520 3.542 . 0 0 "[ . 1 . ]" 1 463 1 53 ASP HA 1 56 GLU QG . . 5.000 4.163 3.851 4.652 . 0 0 "[ . 1 . ]" 1 464 1 53 ASP QB 1 54 MET ME . . 5.000 3.691 3.099 3.792 . 0 0 "[ . 1 . ]" 1 465 1 54 MET H 1 55 TYR H . . 4.500 2.777 2.728 2.898 . 0 0 "[ . 1 . ]" 1 466 1 54 MET H 1 56 GLU H . . 4.500 4.323 4.020 4.505 0.005 15 0 "[ . 1 . ]" 1 467 1 54 MET HA 1 54 MET ME . . 4.000 3.862 3.190 3.936 . 0 0 "[ . 1 . ]" 1 468 1 54 MET HA 1 54 MET QG . . 4.000 2.837 2.329 2.970 . 0 0 "[ . 1 . ]" 1 469 1 54 MET HA 1 57 SER QB . . 4.000 2.764 2.344 4.004 0.004 11 0 "[ . 1 . ]" 1 470 1 54 MET ME 1 71 LYS QD . . 4.000 2.609 2.007 3.541 . 0 0 "[ . 1 . ]" 1 471 1 54 MET ME 1 71 LYS QG . . 4.000 2.847 2.216 3.776 . 0 0 "[ . 1 . ]" 1 472 1 54 MET QG 1 55 TYR H . . 4.500 4.084 3.962 4.472 . 0 0 "[ . 1 . ]" 1 473 1 55 TYR H 1 56 GLU H . . 4.500 2.845 2.740 2.978 . 0 0 "[ . 1 . ]" 1 474 1 55 TYR HA 1 58 ALA MB . . 5.000 3.270 2.817 3.805 . 0 0 "[ . 1 . ]" 1 475 1 55 TYR QB 1 56 GLU H . . 4.500 2.426 2.189 2.788 . 0 0 "[ . 1 . ]" 1 476 1 55 TYR QB 1 56 GLU QG . . 5.000 2.902 2.677 3.341 . 0 0 "[ . 1 . ]" 1 477 1 56 GLU H 1 56 GLU QB . . 3.500 2.420 2.314 2.521 . 0 0 "[ . 1 . ]" 1 478 1 56 GLU H 1 56 GLU QG . . 4.500 2.351 2.210 2.549 . 0 0 "[ . 1 . ]" 1 479 1 56 GLU HA 1 57 SER QB . . 5.000 4.919 4.533 5.072 0.072 14 0 "[ . 1 . ]" 1 480 1 56 GLU QB 1 57 SER H . . 4.500 3.417 2.241 3.948 . 0 0 "[ . 1 . ]" 1 481 1 56 GLU QB 1 57 SER HA . . 5.000 4.339 3.777 4.666 . 0 0 "[ . 1 . ]" 1 482 1 56 GLU QG 1 57 SER H . . 5.500 4.532 4.004 4.911 . 0 0 "[ . 1 . ]" 1 483 1 57 SER H 1 57 SER QB . . 3.500 2.609 2.081 3.430 . 0 0 "[ . 1 . ]" 1 484 1 57 SER H 1 58 ALA H . . 3.500 2.389 1.948 3.044 . 0 0 "[ . 1 . ]" 1 485 1 57 SER H 1 58 ALA HA . . 5.500 4.869 4.490 5.495 . 0 0 "[ . 1 . ]" 1 486 1 57 SER HA 1 58 ALA H . . 4.500 3.605 3.580 3.634 . 0 0 "[ . 1 . ]" 1 487 1 57 SER QB 1 58 ALA H . . 4.500 2.461 2.184 3.231 . 0 0 "[ . 1 . ]" 1 488 1 57 SER QB 1 58 ALA MB . . 5.000 3.740 3.466 4.473 . 0 0 "[ . 1 . ]" 1 489 1 58 ALA HA 1 59 ASN H . . 3.500 2.213 2.133 2.318 . 0 0 "[ . 1 . ]" 1 490 1 58 ALA HA 1 59 ASN HA . . 5.000 4.446 4.393 4.519 . 0 0 "[ . 1 . ]" 1 491 1 58 ALA HA 1 60 SER H . . 4.500 3.717 3.455 3.965 . 0 0 "[ . 1 . ]" 1 492 1 58 ALA HA 1 63 GLU QB . . 4.000 3.109 2.469 3.764 . 0 0 "[ . 1 . ]" 1 493 1 58 ALA HA 1 63 GLU QG . . 4.000 3.210 2.410 3.979 . 0 0 "[ . 1 . ]" 1 494 1 58 ALA MB 1 59 ASN H . . 4.500 3.106 2.871 3.620 . 0 0 "[ . 1 . ]" 1 495 1 58 ALA MB 1 60 SER H . . 4.500 2.597 2.432 3.067 . 0 0 "[ . 1 . ]" 1 496 1 58 ALA MB 1 63 GLU H . . 5.500 4.025 3.544 4.392 . 0 0 "[ . 1 . ]" 1 497 1 58 ALA MB 1 63 GLU QB . . 4.000 2.273 1.952 2.510 . 0 0 "[ . 1 . ]" 1 498 1 58 ALA MB 1 63 GLU QG . . 5.000 3.095 2.495 3.845 . 0 0 "[ . 1 . ]" 1 499 1 58 ALA MB 1 64 TYR H . . 5.500 2.315 2.105 2.524 . 0 0 "[ . 1 . ]" 1 500 1 58 ALA MB 1 64 TYR HA . . 4.000 2.408 2.184 2.702 . 0 0 "[ . 1 . ]" 1 501 1 58 ALA MB 1 64 TYR QB . . 5.000 2.083 2.043 2.169 . 0 0 "[ . 1 . ]" 1 502 1 59 ASN H 1 60 SER H . . 4.500 2.647 2.429 3.511 . 0 0 "[ . 1 . ]" 1 503 1 59 ASN H 1 60 SER QB . . 4.500 4.401 4.137 4.547 0.047 14 0 "[ . 1 . ]" 1 504 1 59 ASN H 1 63 GLU QB . . 5.500 3.079 2.592 4.250 . 0 0 "[ . 1 . ]" 1 505 1 59 ASN HA 1 60 SER H . . 4.500 3.301 2.629 3.484 . 0 0 "[ . 1 . ]" 1 506 1 60 SER H 1 63 GLU QB . . 4.500 2.685 2.252 3.553 . 0 0 "[ . 1 . ]" 1 507 1 60 SER QB 1 61 ARG H . . 4.500 3.080 2.611 3.447 . 0 0 "[ . 1 . ]" 1 508 1 60 SER QB 1 62 ASP H . . 4.500 2.898 2.376 3.516 . 0 0 "[ . 1 . ]" 1 509 1 61 ARG H 1 61 ARG QG . . 4.500 3.790 2.324 4.013 . 0 0 "[ . 1 . ]" 1 510 1 61 ARG H 1 62 ASP H . . 4.500 2.643 2.522 2.956 . 0 0 "[ . 1 . ]" 1 511 1 61 ARG HA 1 61 ARG QG . . 4.000 2.369 2.185 2.511 . 0 0 "[ . 1 . ]" 1 512 1 61 ARG HA 1 64 TYR H . . 4.500 3.532 3.331 3.743 . 0 0 "[ . 1 . ]" 1 513 1 61 ARG HA 1 64 TYR QB . . 4.000 2.264 2.029 2.489 . 0 0 "[ . 1 . ]" 1 514 1 61 ARG HA 1 65 TYR H . . 5.500 3.830 3.568 4.010 . 0 0 "[ . 1 . ]" 1 515 1 61 ARG QB 1 62 ASP H . . 4.500 2.725 2.436 2.994 . 0 0 "[ . 1 . ]" 1 516 1 61 ARG QG 1 62 ASP H . . 4.500 3.856 3.394 4.355 . 0 0 "[ . 1 . ]" 1 517 1 62 ASP H 1 62 ASP QB . . 3.500 2.538 2.393 2.598 . 0 0 "[ . 1 . ]" 1 518 1 62 ASP H 1 63 GLU H . . 4.500 2.881 2.679 3.142 . 0 0 "[ . 1 . ]" 1 519 1 62 ASP HA 1 65 TYR H . . 4.500 3.711 3.444 4.071 . 0 0 "[ . 1 . ]" 1 520 1 62 ASP HA 1 65 TYR QB . . 4.000 2.771 2.387 3.030 . 0 0 "[ . 1 . ]" 1 521 1 62 ASP QB 1 63 GLU H . . 5.500 2.488 2.098 3.416 . 0 0 "[ . 1 . ]" 1 522 1 62 ASP QB 1 66 HIS HD2 . . 5.000 4.416 3.342 4.908 . 0 0 "[ . 1 . ]" 1 523 1 63 GLU H 1 64 TYR H . . 4.500 2.799 2.692 2.949 . 0 0 "[ . 1 . ]" 1 524 1 63 GLU HA 1 66 HIS QB . . 4.000 2.712 2.239 3.498 . 0 0 "[ . 1 . ]" 1 525 1 63 GLU HA 1 66 HIS HD2 . . 5.000 2.644 2.183 3.574 . 0 0 "[ . 1 . ]" 1 526 1 63 GLU HA 1 67 LEU H . . 4.500 3.859 3.679 4.055 . 0 0 "[ . 1 . ]" 1 527 1 63 GLU QB 1 64 TYR H . . 4.500 2.458 2.234 2.681 . 0 0 "[ . 1 . ]" 1 528 1 64 TYR H 1 65 TYR H . . 4.500 2.956 2.865 3.035 . 0 0 "[ . 1 . ]" 1 529 1 64 TYR HA 1 65 TYR H . . 4.500 3.602 3.568 3.635 . 0 0 "[ . 1 . ]" 1 530 1 64 TYR HA 1 67 LEU QB . . 4.000 2.904 2.660 2.991 . 0 0 "[ . 1 . ]" 1 531 1 64 TYR QB 1 65 TYR H . . 4.500 2.486 2.244 2.697 . 0 0 "[ . 1 . ]" 1 532 1 65 TYR H 1 66 HIS H . . 4.500 2.858 2.792 2.944 . 0 0 "[ . 1 . ]" 1 533 1 65 TYR HA 1 68 LEU H . . 3.500 3.505 3.398 3.580 0.080 8 0 "[ . 1 . ]" 1 534 1 65 TYR HA 1 68 LEU QB . . 4.000 2.709 2.530 2.995 . 0 0 "[ . 1 . ]" 1 535 1 65 TYR HA 1 68 LEU HG . . 4.000 3.933 3.525 4.062 0.062 15 0 "[ . 1 . ]" 1 536 1 65 TYR HA 1 69 ALA MB . . 5.000 4.440 4.240 4.553 . 0 0 "[ . 1 . ]" 1 537 1 65 TYR QB 1 66 HIS H . . 4.500 2.555 2.464 2.647 . 0 0 "[ . 1 . ]" 1 538 1 66 HIS H 1 66 HIS QB . . 3.500 2.500 2.140 2.677 . 0 0 "[ . 1 . ]" 1 539 1 66 HIS H 1 67 LEU H . . 4.500 2.853 2.775 2.911 . 0 0 "[ . 1 . ]" 1 540 1 66 HIS HA 1 69 ALA MB . . 4.000 3.034 2.749 3.283 . 0 0 "[ . 1 . ]" 1 541 1 66 HIS HA 1 70 GLU QB . . 5.000 4.271 4.049 4.559 . 0 0 "[ . 1 . ]" 1 542 1 66 HIS QB 1 67 LEU H . . 4.500 2.413 2.184 3.515 . 0 0 "[ . 1 . ]" 1 543 1 66 HIS HD2 1 67 LEU HG . . 5.000 4.751 4.389 5.023 0.023 17 0 "[ . 1 . ]" 1 544 1 67 LEU H 1 68 LEU H . . 4.500 2.802 2.698 2.949 . 0 0 "[ . 1 . ]" 1 545 1 67 LEU HA 1 67 LEU HG . . 3.000 2.941 2.720 3.073 0.073 17 0 "[ . 1 . ]" 1 546 1 67 LEU HA 1 68 LEU H . . 4.500 3.616 3.601 3.638 . 0 0 "[ . 1 . ]" 1 547 1 67 LEU HA 1 70 GLU QB . . 4.000 2.252 2.125 2.403 . 0 0 "[ . 1 . ]" 1 548 1 67 LEU QB 1 68 LEU H . . 3.500 2.696 2.590 2.795 . 0 0 "[ . 1 . ]" 1 549 1 68 LEU H 1 68 LEU QB . . 3.500 2.384 2.326 2.523 . 0 0 "[ . 1 . ]" 1 550 1 68 LEU H 1 69 ALA H . . 4.500 2.816 2.728 2.863 . 0 0 "[ . 1 . ]" 1 551 1 68 LEU HA 1 68 LEU HG . . 4.000 2.982 2.828 3.380 . 0 0 "[ . 1 . ]" 1 552 1 68 LEU HA 1 71 LYS H . . 4.500 3.419 3.307 3.537 . 0 0 "[ . 1 . ]" 1 553 1 68 LEU HA 1 71 LYS QB . . 4.000 2.732 2.488 2.981 . 0 0 "[ . 1 . ]" 1 554 1 69 ALA HA 1 72 ILE HB . . 4.000 2.382 2.213 2.558 . 0 0 "[ . 1 . ]" 1 555 1 69 ALA HA 1 72 ILE MD . . 4.000 2.412 2.306 2.503 . 0 0 "[ . 1 . ]" 1 556 1 69 ALA HA 2 19 ILE HB . . 5.500 4.650 4.375 4.959 . 0 0 "[ . 1 . ]" 1 557 1 69 ALA HA 2 19 ILE MD . . 5.500 4.662 4.229 5.017 . 0 0 "[ . 1 . ]" 1 558 1 69 ALA HA 2 19 ILE MG . . 4.000 2.553 2.325 2.824 . 0 0 "[ . 1 . ]" 1 559 1 69 ALA MB 1 70 GLU HA . . 5.000 4.028 3.956 4.107 . 0 0 "[ . 1 . ]" 1 560 1 69 ALA MB 1 70 GLU QB . . 5.000 4.023 3.874 4.170 . 0 0 "[ . 1 . ]" 1 561 1 69 ALA MB 1 72 ILE HB . . 5.000 3.789 3.644 3.910 . 0 0 "[ . 1 . ]" 1 562 1 69 ALA MB 2 16 TYR HA . . 5.500 4.566 4.245 4.930 . 0 0 "[ . 1 . ]" 1 563 1 69 ALA MB 2 19 ILE HA . . 5.500 4.612 4.365 4.751 . 0 0 "[ . 1 . ]" 1 564 1 69 ALA MB 2 19 ILE HB . . 5.500 3.174 2.741 3.483 . 0 0 "[ . 1 . ]" 1 565 1 69 ALA MB 2 20 LEU HA . . 4.000 2.562 2.283 2.798 . 0 0 "[ . 1 . ]" 1 566 1 69 ALA MB 2 20 LEU QB . . 5.500 3.789 3.507 4.040 . 0 0 "[ . 1 . ]" 1 567 1 69 ALA MB 2 23 LEU HA . . 5.500 5.293 5.250 5.376 . 0 0 "[ . 1 . ]" 1 568 1 69 ALA MB 2 23 LEU HG . . 5.500 4.497 4.340 4.801 . 0 0 "[ . 1 . ]" 1 569 1 70 GLU H 1 71 LYS H . . 4.500 2.760 2.677 2.847 . 0 0 "[ . 1 . ]" 1 570 1 70 GLU HA 1 70 GLU QG . . 3.000 2.488 2.333 2.680 . 0 0 "[ . 1 . ]" 1 571 1 70 GLU HA 1 73 TYR QB . . 4.000 2.520 2.201 2.957 . 0 0 "[ . 1 . ]" 1 572 1 70 GLU HA 2 16 TYR HA . . 5.500 5.220 4.837 5.535 0.035 7 0 "[ . 1 . ]" 1 573 1 70 GLU HA 2 19 ILE MD . . 5.500 4.989 4.564 5.202 . 0 0 "[ . 1 . ]" 1 574 1 70 GLU QG 1 71 LYS H . . 4.500 3.653 3.400 4.149 . 0 0 "[ . 1 . ]" 1 575 1 70 GLU QG 1 74 LYS QD . . 4.000 2.491 1.949 3.584 . 0 0 "[ . 1 . ]" 1 576 1 70 GLU QG 1 74 LYS QE . . 5.000 3.601 2.075 4.438 . 0 0 "[ . 1 . ]" 1 577 1 70 GLU QG 2 6 ARG HA . . 5.500 5.117 4.353 5.392 . 0 0 "[ . 1 . ]" 1 578 1 71 LYS H 1 71 LYS QB . . 3.500 2.268 2.168 2.455 . 0 0 "[ . 1 . ]" 1 579 1 71 LYS H 1 71 LYS QG . . 4.500 3.531 2.475 4.069 . 0 0 "[ . 1 . ]" 1 580 1 71 LYS H 1 72 ILE H . . 4.500 2.829 2.768 2.896 . 0 0 "[ . 1 . ]" 1 581 1 71 LYS HA 1 71 LYS QD . . 4.000 2.453 2.072 3.989 . 0 0 "[ . 1 . ]" 1 582 1 71 LYS HA 1 71 LYS QE . . 4.000 3.732 2.426 4.054 0.054 1 0 "[ . 1 . ]" 1 583 1 71 LYS HA 1 71 LYS QG . . 4.000 2.737 2.088 3.005 . 0 0 "[ . 1 . ]" 1 584 1 71 LYS HA 1 74 LYS QB . . 4.000 2.822 2.365 3.444 . 0 0 "[ . 1 . ]" 1 585 1 71 LYS HA 1 74 LYS QD . . 4.000 3.634 2.801 4.059 0.059 13 0 "[ . 1 . ]" 1 586 1 71 LYS HA 1 75 ILE H . . 4.500 3.823 3.378 4.078 . 0 0 "[ . 1 . ]" 1 587 1 71 LYS QB 1 72 ILE H . . 4.500 2.466 2.263 2.769 . 0 0 "[ . 1 . ]" 1 588 1 71 LYS QB 1 75 ILE MD . . 4.000 3.379 2.230 3.876 . 0 0 "[ . 1 . ]" 1 589 1 71 LYS QE 1 75 ILE MD . . 5.000 2.801 2.113 3.754 . 0 0 "[ . 1 . ]" 1 590 1 71 LYS QG 1 72 ILE H . . 4.500 3.904 3.552 4.369 . 0 0 "[ . 1 . ]" 1 591 1 71 LYS QG 1 75 ILE MD . . 4.000 2.727 2.016 3.858 . 0 0 "[ . 1 . ]" 1 592 1 72 ILE H 1 72 ILE MD . . 4.500 3.577 3.455 3.722 . 0 0 "[ . 1 . ]" 1 593 1 72 ILE HA 1 72 ILE MD . . 4.000 3.826 3.796 3.864 . 0 0 "[ . 1 . ]" 1 594 1 72 ILE HA 1 75 ILE H . . 4.500 3.709 3.495 4.019 . 0 0 "[ . 1 . ]" 1 595 1 72 ILE HA 1 75 ILE HB . . 4.000 2.947 2.346 3.763 . 0 0 "[ . 1 . ]" 1 596 1 72 ILE HB 2 19 ILE MD . . 5.500 3.606 3.283 3.864 . 0 0 "[ . 1 . ]" 1 597 1 72 ILE HB 2 19 ILE MG . . 4.000 2.402 2.246 2.788 . 0 0 "[ . 1 . ]" 1 598 1 72 ILE MD 1 72 ILE MG . . 4.000 2.070 2.039 2.092 . 0 0 "[ . 1 . ]" 1 599 1 72 ILE MD 2 19 ILE HA . . 5.500 5.125 4.851 5.252 . 0 0 "[ . 1 . ]" 1 600 1 72 ILE MD 2 19 ILE HB . . 5.500 5.179 5.028 5.240 . 0 0 "[ . 1 . ]" 1 601 1 72 ILE MD 2 19 ILE MD . . 5.500 4.431 4.224 4.579 . 0 0 "[ . 1 . ]" 1 602 1 72 ILE MD 2 23 LEU HA . . 5.500 4.652 4.301 5.130 . 0 0 "[ . 1 . ]" 1 603 1 72 ILE MD 2 23 LEU HG . . 5.500 4.731 3.743 5.122 . 0 0 "[ . 1 . ]" 1 604 1 72 ILE MG 2 16 TYR HA . . 5.500 5.304 5.243 5.374 . 0 0 "[ . 1 . ]" 1 605 1 72 ILE MG 2 19 ILE HA . . 5.500 4.391 4.057 4.706 . 0 0 "[ . 1 . ]" 1 606 1 72 ILE MG 2 19 ILE HB . . 5.500 3.986 3.850 4.200 . 0 0 "[ . 1 . ]" 1 607 1 72 ILE MG 2 19 ILE MG . . 4.000 2.000 1.877 2.144 . 0 0 "[ . 1 . ]" 1 608 1 73 TYR HA 1 76 GLN QB . . 4.000 3.374 3.022 3.882 . 0 0 "[ . 1 . ]" 1 609 1 73 TYR HA 2 16 TYR HA . . 5.500 4.711 4.239 5.307 . 0 0 "[ . 1 . ]" 1 610 1 73 TYR HA 2 19 ILE MD . . 5.500 2.324 2.152 2.808 . 0 0 "[ . 1 . ]" 1 611 1 73 TYR QB 1 74 LYS H . . 5.500 2.366 2.187 2.638 . 0 0 "[ . 1 . ]" 1 612 1 73 TYR QB 2 16 TYR HA . . 5.500 2.966 2.326 3.387 . 0 0 "[ . 1 . ]" 1 613 1 73 TYR QB 2 19 ILE MD . . 5.500 2.356 2.125 2.648 . 0 0 "[ . 1 . ]" 1 614 1 74 LYS HA 1 74 LYS QD . . 4.000 3.698 2.675 4.064 0.064 16 0 "[ . 1 . ]" 1 615 1 74 LYS HA 1 74 LYS QG . . 4.000 2.670 2.276 3.410 . 0 0 "[ . 1 . ]" 1 616 1 74 LYS HA 1 75 ILE H . . 4.500 3.570 3.524 3.612 . 0 0 "[ . 1 . ]" 1 617 1 74 LYS HA 1 77 LYS H . . 4.500 3.962 3.553 4.530 0.030 5 0 "[ . 1 . ]" 1 618 1 74 LYS HA 1 77 LYS QB . . 5.000 3.646 3.182 4.379 . 0 0 "[ . 1 . ]" 1 619 1 74 LYS HA 1 78 GLU H . . 4.500 2.406 2.149 2.600 . 0 0 "[ . 1 . ]" 1 620 1 74 LYS HA 1 79 LEU QB . . 5.000 4.951 4.931 4.963 . 0 0 "[ . 1 . ]" 1 621 1 74 LYS QB 1 75 ILE H . . 4.500 2.437 2.241 2.816 . 0 0 "[ . 1 . ]" 1 622 1 75 ILE H 1 76 GLN H . . 4.500 2.885 2.757 2.953 . 0 0 "[ . 1 . ]" 1 623 1 75 ILE HA 1 75 ILE MD . . 4.000 3.434 2.261 3.925 . 0 0 "[ . 1 . ]" 1 624 1 75 ILE HA 1 78 GLU H . . 4.500 4.574 4.542 4.706 0.206 5 0 "[ . 1 . ]" 1 625 1 75 ILE HA 1 78 GLU QB . . 4.000 4.145 4.080 4.201 0.201 3 0 "[ . 1 . ]" 1 626 1 75 ILE HB 1 76 GLN HA . . 5.000 4.890 4.440 5.076 0.076 7 0 "[ . 1 . ]" 1 627 1 75 ILE MG 1 76 GLN H . . 5.500 3.813 3.504 4.282 . 0 0 "[ . 1 . ]" 1 628 1 76 GLN H 1 77 LYS H . . 5.500 2.412 2.079 2.815 . 0 0 "[ . 1 . ]" 1 629 1 76 GLN HA 1 76 GLN QG . . 4.000 2.576 2.379 2.999 . 0 0 "[ . 1 . ]" 1 630 1 76 GLN HA 1 77 LYS H . . 4.500 3.577 3.520 3.622 . 0 0 "[ . 1 . ]" 1 631 1 76 GLN HA 1 79 LEU H . . 4.500 4.518 4.379 4.610 0.110 5 0 "[ . 1 . ]" 1 632 1 76 GLN QB 1 77 LYS H . . 4.500 2.140 1.980 2.312 . 0 0 "[ . 1 . ]" 1 633 1 76 GLN QB 1 77 LYS HA . . 5.000 3.815 3.671 3.907 . 0 0 "[ . 1 . ]" 1 634 1 76 GLN QB 1 77 LYS QB . . 5.000 3.793 3.569 3.951 . 0 0 "[ . 1 . ]" 1 635 1 76 GLN QB 1 77 LYS QD . . 5.000 2.876 2.103 4.222 . 0 0 "[ . 1 . ]" 1 636 1 76 GLN QB 2 19 ILE MD . . 5.500 3.903 3.154 4.612 . 0 0 "[ . 1 . ]" 1 637 1 76 GLN QG 2 19 ILE MD . . 5.500 4.562 3.171 5.032 . 0 0 "[ . 1 . ]" 1 638 1 77 LYS H 1 77 LYS QG . . 4.500 3.169 1.965 3.768 . 0 0 "[ . 1 . ]" 1 639 1 77 LYS H 1 78 GLU H . . 3.500 2.805 2.662 2.962 . 0 0 "[ . 1 . ]" 1 640 1 77 LYS HA 1 77 LYS QD . . 3.000 2.384 2.079 2.635 . 0 0 "[ . 1 . ]" 1 641 1 77 LYS HA 1 77 LYS QE . . 5.000 3.861 3.570 4.074 . 0 0 "[ . 1 . ]" 1 642 1 77 LYS HA 1 77 LYS QG . . 4.000 2.489 2.282 3.110 . 0 0 "[ . 1 . ]" 1 643 1 77 LYS QB 1 78 GLU H . . 4.500 2.947 2.526 3.272 . 0 0 "[ . 1 . ]" 1 644 1 77 LYS QE 2 16 TYR HA . . 5.500 4.999 4.449 5.383 . 0 0 "[ . 1 . ]" 1 645 1 78 GLU H 1 78 GLU QB . . 3.500 2.348 2.281 2.433 . 0 0 "[ . 1 . ]" 1 646 1 78 GLU H 1 78 GLU QG . . 4.500 3.875 2.687 4.124 . 0 0 "[ . 1 . ]" 1 647 1 78 GLU HA 1 78 GLU QG . . 3.000 2.439 2.227 2.841 . 0 0 "[ . 1 . ]" 1 648 1 78 GLU HA 1 79 LEU H . . 3.500 3.513 3.491 3.526 0.026 3 0 "[ . 1 . ]" 1 649 1 78 GLU QB 1 79 LEU H . . 4.500 2.280 2.114 2.553 . 0 0 "[ . 1 . ]" 1 650 1 79 LEU H 1 79 LEU QB . . 3.500 1.987 1.928 2.088 . 0 0 "[ . 1 . ]" 1 651 1 79 LEU H 1 80 GLU H . . 3.500 2.850 2.610 3.184 . 0 0 "[ . 1 . ]" 1 652 1 79 LEU HA 1 79 LEU HG . . 3.000 2.315 2.267 2.350 . 0 0 "[ . 1 . ]" 1 653 1 79 LEU QB 1 80 GLU H . . 3.500 2.872 2.269 3.533 0.033 2 0 "[ . 1 . ]" 1 654 1 80 GLU H 1 80 GLU QB . . 3.500 2.814 2.317 3.475 . 0 0 "[ . 1 . ]" 1 655 1 80 GLU H 1 80 GLU QG . . 4.500 2.630 1.936 3.827 . 0 0 "[ . 1 . ]" 1 656 1 80 GLU HA 1 81 GLU H . . 3.500 3.405 2.294 3.585 0.085 5 0 "[ . 1 . ]" 1 657 1 80 GLU QB 1 81 GLU HA . . 4.000 3.968 3.837 4.066 0.066 10 0 "[ . 1 . ]" 1 658 1 81 GLU H 1 81 GLU QB . . 3.500 2.707 2.309 3.419 . 0 0 "[ . 1 . ]" 1 659 1 81 GLU H 1 81 GLU QG . . 4.500 2.646 1.992 4.074 . 0 0 "[ . 1 . ]" 1 660 2 1 THR HA 2 2 ASP H . . 3.500 3.504 3.263 3.585 0.085 13 0 "[ . 1 . ]" 1 661 2 1 THR HB 2 2 ASP H . . 3.500 2.730 2.030 3.587 0.087 2 0 "[ . 1 . ]" 1 662 2 1 THR MG 2 2 ASP H . . 5.000 3.445 2.116 4.312 . 0 0 "[ . 1 . ]" 1 663 2 2 ASP H 2 2 ASP QB . . 3.500 2.389 2.234 2.539 . 0 0 "[ . 1 . ]" 1 664 2 2 ASP H 2 3 SER H . . 3.500 2.819 2.523 3.319 . 0 0 "[ . 1 . ]" 1 665 2 2 ASP HA 2 3 SER H . . 3.500 3.552 3.512 3.582 0.082 7 0 "[ . 1 . ]" 1 666 2 2 ASP HA 2 5 LYS QB . . 3.000 2.605 2.172 2.976 . 0 0 "[ . 1 . ]" 1 667 2 2 ASP HA 2 5 LYS QD . . 5.000 3.908 2.426 4.903 . 0 0 "[ . 1 . ]" 1 668 2 2 ASP HA 2 5 LYS QG . . 3.000 2.844 2.324 3.077 0.077 10 0 "[ . 1 . ]" 1 669 2 2 ASP QB 2 3 SER H . . 5.000 2.927 2.289 3.561 . 0 0 "[ . 1 . ]" 1 670 2 3 SER H 2 3 SER QB . . 3.500 2.594 2.489 2.735 . 0 0 "[ . 1 . ]" 1 671 2 3 SER H 2 4 GLN H . . 3.500 2.799 2.684 2.951 . 0 0 "[ . 1 . ]" 1 672 2 3 SER HA 2 6 ARG H . . 5.000 3.866 3.495 4.414 . 0 0 "[ . 1 . ]" 1 673 2 4 GLN QB 2 5 LYS H . . 5.000 2.514 2.136 2.825 . 0 0 "[ . 1 . ]" 1 674 2 5 LYS H 2 5 LYS QB . . 3.500 2.483 2.055 2.615 . 0 0 "[ . 1 . ]" 1 675 2 5 LYS H 2 5 LYS QD . . 5.000 3.711 2.974 4.380 . 0 0 "[ . 1 . ]" 1 676 2 5 LYS H 2 5 LYS QG . . 5.000 2.310 1.961 3.815 . 0 0 "[ . 1 . ]" 1 677 2 5 LYS HA 2 8 GLU QB . . 4.500 2.712 2.348 3.135 . 0 0 "[ . 1 . ]" 1 678 2 5 LYS QB 2 6 ARG H . . 3.500 2.439 2.141 3.432 . 0 0 "[ . 1 . ]" 1 679 2 5 LYS QD 2 6 ARG H . . 5.000 4.654 4.132 5.031 0.031 16 0 "[ . 1 . ]" 1 680 2 6 ARG H 2 7 ARG H . . 5.000 2.963 2.761 3.213 . 0 0 "[ . 1 . ]" 1 681 2 6 ARG HA 2 7 ARG H . . 5.000 3.619 3.504 3.666 . 0 0 "[ . 1 . ]" 1 682 2 7 ARG HA 2 10 LEU QB . . 4.000 2.852 2.128 3.418 . 0 0 "[ . 1 . ]" 1 683 2 8 GLU HA 2 11 SER QB . . 4.500 3.001 2.467 4.016 . 0 0 "[ . 1 . ]" 1 684 2 8 GLU QB 2 9 ILE H . . 5.000 2.373 2.103 2.650 . 0 0 "[ . 1 . ]" 1 685 2 9 ILE H 2 10 LEU H . . 5.000 2.811 2.685 2.977 . 0 0 "[ . 1 . ]" 1 686 2 9 ILE HA 2 9 ILE MG . . 3.500 2.582 2.221 3.251 . 0 0 "[ . 1 . ]" 1 687 2 9 ILE HA 2 12 ARG QB . . 3.000 2.833 2.435 3.047 0.047 7 0 "[ . 1 . ]" 1 688 2 9 ILE HB 2 10 LEU H . . 5.000 3.125 2.474 4.204 . 0 0 "[ . 1 . ]" 1 689 2 9 ILE MG 2 10 LEU H . . 5.000 3.219 2.131 4.277 . 0 0 "[ . 1 . ]" 1 690 2 12 ARG H 2 13 ARG H . . 5.000 2.788 2.025 3.530 . 0 0 "[ . 1 . ]" 1 691 2 12 ARG QB 2 13 ARG H . . 5.000 3.432 2.295 4.034 . 0 0 "[ . 1 . ]" 1 692 2 13 ARG H 2 14 PRO QB . . 5.000 4.924 4.262 5.058 0.058 12 0 "[ . 1 . ]" 1 693 2 14 PRO HA 2 17 ARG QD . . 4.500 3.826 2.237 4.480 . 0 0 "[ . 1 . ]" 1 694 2 16 TYR H 2 17 ARG H . . 5.000 2.715 2.468 2.927 . 0 0 "[ . 1 . ]" 1 695 2 16 TYR HA 2 17 ARG H . . 5.000 3.589 3.505 3.635 . 0 0 "[ . 1 . ]" 1 696 2 16 TYR HA 2 19 ILE MD . . 4.500 2.425 2.249 3.187 . 0 0 "[ . 1 . ]" 1 697 2 17 ARG H 2 17 ARG QB . . 3.500 2.424 2.089 2.714 . 0 0 "[ . 1 . ]" 1 698 2 17 ARG H 2 17 ARG QG . . 5.000 2.641 1.989 4.041 . 0 0 "[ . 1 . ]" 1 699 2 17 ARG HA 2 17 ARG QD . . 4.500 3.452 2.106 4.155 . 0 0 "[ . 1 . ]" 1 700 2 17 ARG HA 2 20 LEU QB . . 4.000 2.488 2.171 2.957 . 0 0 "[ . 1 . ]" 1 701 2 19 ILE HA 2 19 ILE MD . . 4.500 3.811 3.663 3.857 . 0 0 "[ . 1 . ]" 1 702 2 19 ILE HA 2 22 ASP QB . . 4.500 2.409 2.187 2.519 . 0 0 "[ . 1 . ]" 1 703 2 20 LEU HA 2 20 LEU HG . . 4.500 3.174 2.200 3.755 . 0 0 "[ . 1 . ]" 1 704 2 22 ASP H 2 22 ASP QB . . 3.500 2.247 2.198 2.473 . 0 0 "[ . 1 . ]" 1 705 2 22 ASP HA 2 25 SER QB . . 4.000 2.724 2.414 3.975 . 0 0 "[ . 1 . ]" 1 706 2 22 ASP QB 2 23 LEU H . . 5.000 2.476 2.346 2.580 . 0 0 "[ . 1 . ]" 1 707 2 23 LEU H 2 23 LEU HG . . 5.000 4.529 4.412 4.555 . 0 0 "[ . 1 . ]" 1 708 2 23 LEU H 2 24 SER H . . 5.000 2.798 2.659 2.937 . 0 0 "[ . 1 . ]" 1 709 2 23 LEU H 2 25 SER H . . 5.000 4.140 3.966 4.307 . 0 0 "[ . 1 . ]" 1 710 2 23 LEU HA 2 26 ASP H . . 3.500 3.594 3.537 3.694 0.194 5 0 "[ . 1 . ]" 1 711 2 23 LEU HA 2 26 ASP QB . . 4.000 2.980 2.744 3.349 . 0 0 "[ . 1 . ]" 1 712 2 23 LEU HG 2 27 ALA MB . . 4.000 3.338 2.659 3.945 . 0 0 "[ . 1 . ]" 1 713 2 24 SER HA 2 27 ALA MB . . 4.000 3.428 2.442 3.881 . 0 0 "[ . 1 . ]" 1 714 2 25 SER H 2 26 ASP H . . 5.000 2.624 2.552 2.847 . 0 0 "[ . 1 . ]" 1 715 2 25 SER H 2 27 ALA H . . 5.000 4.317 4.086 5.047 0.047 12 0 "[ . 1 . ]" 1 716 2 25 SER HA 2 26 ASP H . . 3.500 3.556 3.540 3.584 0.084 5 0 "[ . 1 . ]" 1 717 2 26 ASP H 2 26 ASP QB . . 3.500 2.254 2.209 2.315 . 0 0 "[ . 1 . ]" 1 718 2 26 ASP H 2 27 ALA H . . 3.500 2.595 2.409 3.553 0.053 12 0 "[ . 1 . ]" 1 719 2 26 ASP HA 2 27 ALA H . . 3.500 3.492 2.486 3.589 0.089 1 0 "[ . 1 . ]" 1 720 2 26 ASP QB 2 27 ALA H . . 5.000 2.611 2.275 3.927 . 0 0 "[ . 1 . ]" 1 721 2 27 ALA MB 2 28 PRO QD . . 3.000 2.900 2.481 2.968 . 0 0 "[ . 1 . ]" 1 stop_ save_
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