NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
375987 | 1fa4 | 4738 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1fa4 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 1311 _Distance_constraint_stats_list.Viol_count 2128 _Distance_constraint_stats_list.Viol_total 3973.972 _Distance_constraint_stats_list.Viol_max 0.473 _Distance_constraint_stats_list.Viol_rms 0.0327 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0076 _Distance_constraint_stats_list.Viol_average_violations_only 0.0934 _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 1 GLU 0.104 0.065 4 0 "[ . 1 . 2]" 1 2 THR 1.637 0.147 7 0 "[ . 1 . 2]" 1 3 TYR 1.205 0.167 5 0 "[ . 1 . 2]" 1 4 THR 2.839 0.310 10 0 "[ . 1 . 2]" 1 5 VAL 4.272 0.226 3 0 "[ . 1 . 2]" 1 6 LYS 0.072 0.051 19 0 "[ . 1 . 2]" 1 7 LEU 10.091 0.368 14 0 "[ . 1 . 2]" 1 8 GLY 0.153 0.103 2 0 "[ . 1 . 2]" 1 9 SER 0.232 0.071 16 0 "[ . 1 . 2]" 1 10 ASP 0.449 0.071 16 0 "[ . 1 . 2]" 1 11 LYS 0.058 0.058 6 0 "[ . 1 . 2]" 1 12 GLY 0.137 0.112 12 0 "[ . 1 . 2]" 1 13 LEU 2.505 0.192 11 0 "[ . 1 . 2]" 1 14 LEU 3.572 0.205 3 0 "[ . 1 . 2]" 1 15 VAL 0.404 0.133 18 0 "[ . 1 . 2]" 1 16 PHE 0.634 0.118 9 0 "[ . 1 . 2]" 1 17 GLU 0.000 0.000 . 0 "[ . 1 . 2]" 1 18 PRO 1.811 0.196 17 0 "[ . 1 . 2]" 1 19 ALA 0.975 0.097 2 0 "[ . 1 . 2]" 1 20 LYS 0.931 0.177 11 0 "[ . 1 . 2]" 1 21 LEU 4.164 0.375 2 0 "[ . 1 . 2]" 1 22 THR 2.509 0.230 2 0 "[ . 1 . 2]" 1 23 ILE 26.492 0.375 2 0 "[ . 1 . 2]" 1 24 LYS 1.002 0.175 17 0 "[ . 1 . 2]" 1 25 PRO 3.147 0.303 11 0 "[ . 1 . 2]" 1 26 GLY 0.589 0.132 9 0 "[ . 1 . 2]" 1 27 ASP 1.715 0.167 19 0 "[ . 1 . 2]" 1 28 THR 5.127 0.167 19 0 "[ . 1 . 2]" 1 29 VAL 4.953 0.292 20 0 "[ . 1 . 2]" 1 30 GLU 2.852 0.125 16 0 "[ . 1 . 2]" 1 31 PHE 3.745 0.226 3 0 "[ . 1 . 2]" 1 32 LEU 13.778 0.324 20 0 "[ . 1 . 2]" 1 33 ASN 12.712 0.331 6 0 "[ . 1 . 2]" 1 34 ASN 2.760 0.194 18 0 "[ . 1 . 2]" 1 35 LYS 3.604 0.194 18 0 "[ . 1 . 2]" 1 36 VAL 3.026 0.205 3 0 "[ . 1 . 2]" 1 37 PRO 3.462 0.188 4 0 "[ . 1 . 2]" 1 38 PRO 3.023 0.167 4 0 "[ . 1 . 2]" 1 39 HIS 8.910 0.262 19 0 "[ . 1 . 2]" 1 40 ASN 0.041 0.041 19 0 "[ . 1 . 2]" 1 41 VAL 0.344 0.163 17 0 "[ . 1 . 2]" 1 42 VAL 2.720 0.210 7 0 "[ . 1 . 2]" 1 43 PHE 8.647 0.210 7 0 "[ . 1 . 2]" 1 44 ASP 0.039 0.018 12 0 "[ . 1 . 2]" 1 45 ALA 2.050 0.164 17 0 "[ . 1 . 2]" 1 46 ALA 0.638 0.181 6 0 "[ . 1 . 2]" 1 47 LEU 4.899 0.276 16 0 "[ . 1 . 2]" 1 48 ASN 3.385 0.183 14 0 "[ . 1 . 2]" 1 49 PRO 3.297 0.183 14 0 "[ . 1 . 2]" 1 50 ALA 1.496 0.144 11 0 "[ . 1 . 2]" 1 51 LYS 1.652 0.144 11 0 "[ . 1 . 2]" 1 52 SER 0.240 0.121 17 0 "[ . 1 . 2]" 1 53 ALA 0.091 0.025 1 0 "[ . 1 . 2]" 1 54 ASP 1.835 0.125 13 0 "[ . 1 . 2]" 1 55 LEU 1.656 0.256 20 0 "[ . 1 . 2]" 1 56 ALA 0.148 0.144 20 0 "[ . 1 . 2]" 1 57 LYS 0.249 0.139 15 0 "[ . 1 . 2]" 1 58 SER 0.355 0.114 18 0 "[ . 1 . 2]" 1 59 LEU 6.214 0.257 15 0 "[ . 1 . 2]" 1 60 SER 2.344 0.156 4 0 "[ . 1 . 2]" 1 61 HIS 0.475 0.226 13 0 "[ . 1 . 2]" 1 62 LYS 0.660 0.154 10 0 "[ . 1 . 2]" 1 63 GLN 0.668 0.154 10 0 "[ . 1 . 2]" 1 64 LEU 2.576 0.215 7 0 "[ . 1 . 2]" 1 65 LEU 2.340 0.262 19 0 "[ . 1 . 2]" 1 66 MET 0.678 0.144 11 0 "[ . 1 . 2]" 1 67 SER 4.372 0.261 9 0 "[ . 1 . 2]" 1 68 PRO 3.731 0.181 10 0 "[ . 1 . 2]" 1 69 GLY 3.127 0.331 6 0 "[ . 1 . 2]" 1 70 GLN 0.932 0.261 9 0 "[ . 1 . 2]" 1 71 SER 4.700 0.261 2 0 "[ . 1 . 2]" 1 72 THR 2.344 0.226 13 0 "[ . 1 . 2]" 1 73 SER 0.962 0.121 1 0 "[ . 1 . 2]" 1 74 THR 1.310 0.135 11 0 "[ . 1 . 2]" 1 75 THR 2.517 0.178 10 0 "[ . 1 . 2]" 1 76 PHE 5.035 0.192 15 0 "[ . 1 . 2]" 1 77 PRO 4.242 0.257 15 0 "[ . 1 . 2]" 1 78 ALA 0.225 0.108 12 0 "[ . 1 . 2]" 1 79 ASP 0.147 0.029 3 0 "[ . 1 . 2]" 1 80 ALA 3.973 0.381 3 0 "[ . 1 . 2]" 1 81 PRO 2.872 0.182 11 0 "[ . 1 . 2]" 1 82 ALA 0.425 0.180 4 0 "[ . 1 . 2]" 1 83 GLY 0.895 0.180 4 0 "[ . 1 . 2]" 1 84 GLU 0.612 0.171 11 0 "[ . 1 . 2]" 1 85 TYR 1.875 0.256 20 0 "[ . 1 . 2]" 1 86 THR 4.250 0.250 1 0 "[ . 1 . 2]" 1 87 PHE 4.564 0.142 18 0 "[ . 1 . 2]" 1 88 TYR 5.381 0.194 10 0 "[ . 1 . 2]" 1 89 CYS 2.260 0.169 12 0 "[ . 1 . 2]" 1 90 GLU 0.000 0.000 . 0 "[ . 1 . 2]" 1 91 PRO 0.793 0.039 11 0 "[ . 1 . 2]" 1 92 HIS 3.705 0.216 5 0 "[ . 1 . 2]" 1 93 ARG 0.146 0.093 7 0 "[ . 1 . 2]" 1 94 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 95 ALA 1.836 0.298 16 0 "[ . 1 . 2]" 1 96 GLY 1.449 0.298 16 0 "[ . 1 . 2]" 1 97 MET 0.122 0.027 15 0 "[ . 1 . 2]" 1 98 VAL 1.979 0.245 12 0 "[ . 1 . 2]" 1 99 GLY 3.175 0.137 9 0 "[ . 1 . 2]" 1 100 LYS 2.257 0.178 5 0 "[ . 1 . 2]" 1 101 ILE 19.662 0.473 13 0 "[ . 1 . 2]" 1 102 THR 3.780 0.230 2 0 "[ . 1 . 2]" 1 103 VAL 12.115 0.381 3 0 "[ . 1 . 2]" 1 104 ALA 0.797 0.190 18 0 "[ . 1 . 2]" 1 105 GLY 0.794 0.190 18 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 1 GLU HA 1 1 GLU QB 0.000 . 5.000 2.402 2.183 2.541 . 0 0 "[ . 1 . 2]" 1 2 1 1 GLU HA 1 1 GLU QG 0.000 . 4.160 2.441 1.935 3.324 0.065 4 0 "[ . 1 . 2]" 1 3 1 1 GLU HA 1 2 THR H 0.000 . 2.850 2.494 2.194 2.846 . 0 0 "[ . 1 . 2]" 1 4 1 1 GLU QB 1 3 TYR QE 0.000 . 8.000 3.803 2.102 6.351 . 0 0 "[ . 1 . 2]" 1 5 1 1 GLU QG 1 2 THR H 0.000 . 6.000 3.450 1.979 4.537 0.021 18 0 "[ . 1 . 2]" 1 6 1 1 GLU QG 1 3 TYR QE 0.000 . 8.000 4.284 2.707 5.737 . 0 0 "[ . 1 . 2]" 1 7 1 2 THR H 1 2 THR HB 0.000 . 3.560 3.029 2.587 3.512 . 0 0 "[ . 1 . 2]" 1 8 1 2 THR H 1 2 THR HG1 0.000 . 6.000 2.825 1.991 3.473 0.009 6 0 "[ . 1 . 2]" 1 9 1 2 THR H 1 3 TYR H 0.000 . 5.000 4.367 4.108 4.575 . 0 0 "[ . 1 . 2]" 1 10 1 2 THR H 1 3 TYR QD 0.000 . 7.000 4.880 4.009 5.800 . 0 0 "[ . 1 . 2]" 1 11 1 2 THR HA 1 2 THR HG1 0.000 . 5.600 2.141 1.954 2.696 0.046 16 0 "[ . 1 . 2]" 1 12 1 2 THR HA 1 3 TYR H 0.000 . 2.850 2.243 2.180 2.471 . 0 0 "[ . 1 . 2]" 1 13 1 2 THR HA 1 3 TYR QD 0.000 . 7.000 3.493 2.772 4.881 . 0 0 "[ . 1 . 2]" 1 14 1 2 THR HA 1 3 TYR QE 0.000 . 7.000 4.768 3.964 5.957 . 0 0 "[ . 1 . 2]" 1 15 1 2 THR HA 1 28 THR H 0.000 . 5.001 3.528 2.799 4.078 . 0 0 "[ . 1 . 2]" 1 16 1 2 THR HA 1 28 THR HB 0.000 . 3.560 3.346 2.851 3.591 0.031 20 0 "[ . 1 . 2]" 1 17 1 2 THR HA 1 28 THR HG1 0.000 . 6.500 4.165 3.357 4.614 . 0 0 "[ . 1 . 2]" 1 18 1 2 THR HB 1 2 THR HG1 0.000 . 3.560 1.977 1.872 2.086 0.128 17 0 "[ . 1 . 2]" 1 19 1 2 THR HB 1 3 TYR H 0.000 . 5.000 3.839 3.054 4.345 . 0 0 "[ . 1 . 2]" 1 20 1 2 THR HG1 1 3 TYR H 0.000 . 6.500 2.697 2.027 3.487 . 0 0 "[ . 1 . 2]" 1 21 1 2 THR HG1 1 28 THR HA 0.000 . 6.500 4.576 4.146 5.067 . 0 0 "[ . 1 . 2]" 1 22 1 2 THR HG1 1 28 THR HB 0.000 . 6.500 2.402 1.853 3.242 0.147 7 0 "[ . 1 . 2]" 1 23 1 2 THR HG1 1 29 VAL HA 0.000 . 6.500 3.785 2.172 4.650 . 0 0 "[ . 1 . 2]" 1 24 1 3 TYR H 1 3 TYR HB2 0.000 . 3.100 2.495 2.245 2.873 . 0 0 "[ . 1 . 2]" 1 25 1 3 TYR H 1 3 TYR HB3 0.000 . 4.000 3.686 3.550 3.894 . 0 0 "[ . 1 . 2]" 1 26 1 3 TYR H 1 3 TYR QD 0.000 . 5.560 2.501 1.882 3.295 0.118 20 0 "[ . 1 . 2]" 1 27 1 3 TYR H 1 28 THR HB 0.000 . 5.000 4.312 3.749 5.026 0.026 15 0 "[ . 1 . 2]" 1 28 1 3 TYR H 1 29 VAL HA 0.000 . 5.000 2.983 2.325 3.820 . 0 0 "[ . 1 . 2]" 1 29 1 3 TYR H 1 29 VAL MG2 0.000 . 6.500 4.127 3.217 4.593 . 0 0 "[ . 1 . 2]" 1 30 1 3 TYR H 1 30 GLU H 0.000 . 5.000 3.937 2.526 4.660 . 0 0 "[ . 1 . 2]" 1 31 1 3 TYR HA 1 3 TYR HB3 0.000 . 3.100 2.515 2.383 2.641 . 0 0 "[ . 1 . 2]" 1 32 1 3 TYR HA 1 3 TYR QD 0.000 . 4.560 2.866 1.966 3.160 0.034 10 0 "[ . 1 . 2]" 1 33 1 3 TYR HA 1 3 TYR QE 0.000 . 5.600 4.544 4.187 4.785 . 0 0 "[ . 1 . 2]" 1 34 1 3 TYR HA 1 4 THR H 0.000 . 2.850 2.353 2.187 2.560 . 0 0 "[ . 1 . 2]" 1 35 1 3 TYR HA 1 21 LEU QD 0.000 . 7.900 3.942 3.565 4.191 . 0 0 "[ . 1 . 2]" 1 36 1 3 TYR HB2 1 3 TYR QD 0.000 . 3.560 2.461 2.306 2.619 . 0 0 "[ . 1 . 2]" 1 37 1 3 TYR HB2 1 4 THR H 0.000 . 5.000 3.953 3.223 4.562 . 0 0 "[ . 1 . 2]" 1 38 1 3 TYR HB2 1 21 LEU MD1 0.000 . 6.500 3.958 3.017 5.002 . 0 0 "[ . 1 . 2]" 1 39 1 3 TYR HB2 1 21 LEU MD2 0.000 . 6.500 3.150 1.897 5.326 0.103 12 0 "[ . 1 . 2]" 1 40 1 3 TYR HB2 1 29 VAL MG1 0.000 . 6.500 2.502 1.871 3.220 0.129 5 0 "[ . 1 . 2]" 1 41 1 3 TYR HB2 1 29 VAL MG2 0.000 . 6.500 3.235 2.398 3.776 . 0 0 "[ . 1 . 2]" 1 42 1 3 TYR HB3 1 3 TYR QD 0.000 . 3.560 2.413 2.304 2.727 . 0 0 "[ . 1 . 2]" 1 43 1 3 TYR HB3 1 4 THR H 0.000 . 5.000 2.963 2.280 4.018 . 0 0 "[ . 1 . 2]" 1 44 1 3 TYR HB3 1 21 LEU MD1 0.000 . 6.500 2.967 1.940 4.537 0.060 13 0 "[ . 1 . 2]" 1 45 1 3 TYR HB3 1 21 LEU MD2 0.000 . 6.500 2.500 1.859 4.310 0.141 17 0 "[ . 1 . 2]" 1 46 1 3 TYR HB3 1 23 ILE MG 0.000 . 6.500 3.753 2.910 4.529 . 0 0 "[ . 1 . 2]" 1 47 1 3 TYR HB3 1 29 VAL MG2 0.000 . 6.500 4.453 3.831 5.180 . 0 0 "[ . 1 . 2]" 1 48 1 3 TYR QD 1 21 LEU MD1 0.000 . 8.500 3.459 2.048 5.015 . 0 0 "[ . 1 . 2]" 1 49 1 3 TYR QD 1 21 LEU MD2 0.000 . 8.500 2.873 1.890 4.953 0.110 11 0 "[ . 1 . 2]" 1 50 1 3 TYR QD 1 23 ILE MD 0.000 . 8.500 5.244 4.313 6.079 . 0 0 "[ . 1 . 2]" 1 51 1 3 TYR QD 1 23 ILE MG 0.000 . 8.500 2.675 1.833 3.644 0.167 5 0 "[ . 1 . 2]" 1 52 1 3 TYR QD 1 27 ASP HB3 0.000 . 7.000 3.490 2.556 4.598 . 0 0 "[ . 1 . 2]" 1 53 1 3 TYR QD 1 29 VAL MG2 0.000 . 8.500 3.668 2.500 4.689 . 0 0 "[ . 1 . 2]" 1 54 1 3 TYR QE 1 21 LEU MD1 0.000 . 8.500 4.940 3.374 6.437 . 0 0 "[ . 1 . 2]" 1 55 1 3 TYR QE 1 21 LEU MD2 0.000 . 8.500 4.040 2.528 5.887 . 0 0 "[ . 1 . 2]" 1 56 1 3 TYR QE 1 23 ILE HA 0.000 . 7.000 3.396 2.290 4.809 . 0 0 "[ . 1 . 2]" 1 57 1 3 TYR QE 1 23 ILE MG 0.000 . 8.500 3.279 2.411 4.397 . 0 0 "[ . 1 . 2]" 1 58 1 3 TYR QE 1 24 LYS H 0.000 . 7.000 3.964 2.564 5.283 . 0 0 "[ . 1 . 2]" 1 59 1 3 TYR QE 1 27 ASP HB2 0.000 . 7.000 4.391 2.670 5.575 . 0 0 "[ . 1 . 2]" 1 60 1 3 TYR QE 1 27 ASP HB3 0.000 . 7.000 3.665 2.006 5.098 . 0 0 "[ . 1 . 2]" 1 61 1 4 THR H 1 4 THR HB 0.000 . 3.560 3.051 2.374 3.558 . 0 0 "[ . 1 . 2]" 1 62 1 4 THR H 1 4 THR HG1 0.000 . 6.000 2.892 1.915 3.700 0.085 5 0 "[ . 1 . 2]" 1 63 1 4 THR HA 1 4 THR HG1 0.000 . 4.160 2.306 1.958 2.986 0.042 18 0 "[ . 1 . 2]" 1 64 1 4 THR HA 1 5 VAL H 0.000 . 2.850 2.227 2.187 2.370 . 0 0 "[ . 1 . 2]" 1 65 1 4 THR HA 1 5 VAL MG1 0.000 . 6.500 4.373 3.668 5.424 . 0 0 "[ . 1 . 2]" 1 66 1 4 THR HA 1 5 VAL MG2 0.000 . 6.500 3.535 3.119 4.120 . 0 0 "[ . 1 . 2]" 1 67 1 4 THR HA 1 29 VAL MG1 0.000 . 6.500 3.667 2.976 4.628 . 0 0 "[ . 1 . 2]" 1 68 1 4 THR HA 1 30 GLU H 0.000 . 3.560 2.605 1.984 3.392 0.016 4 0 "[ . 1 . 2]" 1 69 1 4 THR HA 1 30 GLU QB 0.000 . 6.000 2.576 2.036 3.600 . 0 0 "[ . 1 . 2]" 1 70 1 4 THR HB 1 4 THR HG1 0.000 . 3.560 1.946 1.872 2.078 0.128 11 0 "[ . 1 . 2]" 1 71 1 4 THR HB 1 5 VAL H 0.000 . 5.000 4.180 3.793 4.537 . 0 0 "[ . 1 . 2]" 1 72 1 4 THR HG1 1 5 VAL H 0.000 . 6.000 3.037 1.997 3.615 0.003 10 0 "[ . 1 . 2]" 1 73 1 4 THR HG1 1 32 LEU QB 0.000 . 7.500 4.377 3.815 4.969 . 0 0 "[ . 1 . 2]" 1 74 1 4 THR HG1 1 32 LEU QD 0.000 . 8.900 2.128 1.690 2.699 0.310 10 0 "[ . 1 . 2]" 1 75 1 5 VAL H 1 5 VAL HB 0.000 . 3.560 3.448 2.892 3.677 0.117 3 0 "[ . 1 . 2]" 1 76 1 5 VAL H 1 5 VAL MG1 0.000 . 5.060 3.013 2.179 3.947 . 0 0 "[ . 1 . 2]" 1 77 1 5 VAL H 1 5 VAL MG2 0.000 . 6.500 1.976 1.802 2.594 0.198 6 0 "[ . 1 . 2]" 1 78 1 5 VAL H 1 29 VAL MG1 0.000 . 6.500 3.581 3.003 4.156 . 0 0 "[ . 1 . 2]" 1 79 1 5 VAL H 1 30 GLU H 0.000 . 5.000 3.853 3.103 4.755 . 0 0 "[ . 1 . 2]" 1 80 1 5 VAL H 1 30 GLU QB 0.000 . 6.000 3.968 3.406 4.954 . 0 0 "[ . 1 . 2]" 1 81 1 5 VAL H 1 31 PHE HA 0.000 . 5.000 3.125 2.734 3.726 . 0 0 "[ . 1 . 2]" 1 82 1 5 VAL H 1 31 PHE QD 0.000 . 7.000 3.944 3.195 4.650 . 0 0 "[ . 1 . 2]" 1 83 1 5 VAL H 1 32 LEU H 0.000 . 5.000 4.659 4.032 5.003 0.003 14 0 "[ . 1 . 2]" 1 84 1 5 VAL HA 1 5 VAL MG1 0.000 . 4.050 2.201 1.975 2.445 0.025 17 0 "[ . 1 . 2]" 1 85 1 5 VAL HA 1 5 VAL MG2 0.000 . 4.050 3.031 2.510 3.193 . 0 0 "[ . 1 . 2]" 1 86 1 5 VAL HA 1 6 LYS H 0.000 . 2.850 2.390 2.194 2.901 0.051 19 0 "[ . 1 . 2]" 1 87 1 5 VAL HA 1 18 PRO QD 0.000 . 6.000 3.383 2.139 4.197 . 0 0 "[ . 1 . 2]" 1 88 1 5 VAL HB 1 5 VAL MG1 0.000 . 3.350 2.127 2.107 2.148 . 0 0 "[ . 1 . 2]" 1 89 1 5 VAL HB 1 5 VAL MG2 0.000 . 3.350 2.135 2.114 2.152 . 0 0 "[ . 1 . 2]" 1 90 1 5 VAL HB 1 6 LYS H 0.000 . 5.000 3.776 2.147 4.528 . 0 0 "[ . 1 . 2]" 1 91 1 5 VAL HB 1 29 VAL MG1 0.000 . 6.500 4.911 4.186 5.436 . 0 0 "[ . 1 . 2]" 1 92 1 5 VAL HB 1 31 PHE QD 0.000 . 7.000 4.271 2.773 4.924 . 0 0 "[ . 1 . 2]" 1 93 1 5 VAL MG1 1 6 LYS H 0.000 . 6.500 3.796 1.979 4.352 0.021 19 0 "[ . 1 . 2]" 1 94 1 5 VAL MG1 1 18 PRO QD 0.000 . 5.350 2.456 1.804 3.141 0.196 17 0 "[ . 1 . 2]" 1 95 1 5 VAL MG1 1 29 VAL MG1 0.000 . 8.000 3.344 1.852 4.759 0.148 8 0 "[ . 1 . 2]" 1 96 1 5 VAL MG1 1 31 PHE HA 0.000 . 6.500 4.844 4.288 5.433 . 0 0 "[ . 1 . 2]" 1 97 1 5 VAL MG1 1 31 PHE QD 0.000 . 8.500 3.921 2.793 4.764 . 0 0 "[ . 1 . 2]" 1 98 1 5 VAL MG1 1 87 PHE QE 0.000 . 8.500 4.172 3.672 4.828 . 0 0 "[ . 1 . 2]" 1 99 1 5 VAL MG1 1 87 PHE HZ 0.000 . 6.500 4.320 3.572 5.123 . 0 0 "[ . 1 . 2]" 1 100 1 5 VAL MG2 1 6 LYS H 0.000 . 6.500 4.060 3.123 4.423 . 0 0 "[ . 1 . 2]" 1 101 1 5 VAL MG2 1 7 LEU QD 0.000 . 9.400 3.423 2.557 4.959 . 0 0 "[ . 1 . 2]" 1 102 1 5 VAL MG2 1 16 PHE HA 0.000 . 6.500 4.541 3.994 5.401 . 0 0 "[ . 1 . 2]" 1 103 1 5 VAL MG2 1 16 PHE HB2 0.000 . 6.500 5.225 4.941 5.336 . 0 0 "[ . 1 . 2]" 1 104 1 5 VAL MG2 1 16 PHE HB3 0.000 . 6.500 3.981 3.768 4.257 . 0 0 "[ . 1 . 2]" 1 105 1 5 VAL MG2 1 17 GLU H 0.000 . 5.060 4.146 3.955 4.266 . 0 0 "[ . 1 . 2]" 1 106 1 5 VAL MG2 1 18 PRO QD 0.000 . 7.500 4.395 3.273 5.214 . 0 0 "[ . 1 . 2]" 1 107 1 5 VAL MG2 1 29 VAL MG1 0.000 . 8.000 2.705 2.145 3.412 . 0 0 "[ . 1 . 2]" 1 108 1 5 VAL MG2 1 31 PHE HA 0.000 . 6.500 2.619 1.932 4.200 0.068 11 0 "[ . 1 . 2]" 1 109 1 5 VAL MG2 1 31 PHE QD 0.000 . 6.350 2.143 1.774 2.783 0.226 3 0 "[ . 1 . 2]" 1 110 1 5 VAL MG2 1 31 PHE HZ 0.000 . 6.500 5.296 5.005 5.484 . 0 0 "[ . 1 . 2]" 1 111 1 5 VAL MG2 1 87 PHE QE 0.000 . 8.500 3.826 2.805 4.510 . 0 0 "[ . 1 . 2]" 1 112 1 5 VAL MG2 1 87 PHE HZ 0.000 . 6.500 4.408 3.774 5.073 . 0 0 "[ . 1 . 2]" 1 113 1 6 LYS H 1 6 LYS QB 0.000 . 3.450 2.421 2.076 2.962 . 0 0 "[ . 1 . 2]" 1 114 1 6 LYS H 1 7 LEU H 0.000 . 5.000 4.238 3.586 4.693 . 0 0 "[ . 1 . 2]" 1 115 1 6 LYS H 1 18 PRO QD 0.000 . 6.000 4.848 3.610 5.357 . 0 0 "[ . 1 . 2]" 1 116 1 6 LYS HA 1 6 LYS QB 0.000 . 5.000 2.401 2.200 2.547 . 0 0 "[ . 1 . 2]" 1 117 1 6 LYS HA 1 7 LEU H 0.000 . 2.850 2.270 2.201 2.414 . 0 0 "[ . 1 . 2]" 1 118 1 6 LYS HA 1 32 LEU H 0.000 . 5.000 3.276 2.201 4.707 . 0 0 "[ . 1 . 2]" 1 119 1 6 LYS QB 1 7 LEU H 0.000 . 6.000 3.685 3.005 4.055 . 0 0 "[ . 1 . 2]" 1 120 1 7 LEU H 1 7 LEU HB2 0.000 . 3.400 3.540 3.484 3.571 0.171 11 0 "[ . 1 . 2]" 1 121 1 7 LEU H 1 7 LEU HB3 0.000 . 4.000 3.077 2.646 3.501 . 0 0 "[ . 1 . 2]" 1 122 1 7 LEU H 1 7 LEU QD 0.000 . 7.810 1.948 1.632 2.458 0.368 14 0 "[ . 1 . 2]" 1 123 1 7 LEU H 1 7 LEU HG 0.000 . 3.560 1.961 1.807 3.520 0.193 4 0 "[ . 1 . 2]" 1 124 1 7 LEU H 1 32 LEU H 0.000 . 5.000 3.778 3.139 4.426 . 0 0 "[ . 1 . 2]" 1 125 1 7 LEU H 1 32 LEU QB 0.000 . 6.000 5.001 4.310 5.424 . 0 0 "[ . 1 . 2]" 1 126 1 7 LEU H 1 33 ASN HA 0.000 . 5.000 4.471 3.622 5.014 0.014 1 0 "[ . 1 . 2]" 1 127 1 7 LEU HA 1 7 LEU QD 0.000 . 7.200 3.206 2.745 3.412 . 0 0 "[ . 1 . 2]" 1 128 1 7 LEU HA 1 8 GLY H 0.000 . 2.850 2.464 2.229 2.755 . 0 0 "[ . 1 . 2]" 1 129 1 7 LEU HB2 1 7 LEU QD 0.000 . 6.260 2.074 1.875 2.348 0.125 15 0 "[ . 1 . 2]" 1 130 1 7 LEU HB2 1 34 ASN H 0.000 . 5.000 4.968 4.720 5.031 0.031 17 0 "[ . 1 . 2]" 1 131 1 7 LEU QD 1 16 PHE QE 0.000 . 9.900 2.844 1.886 3.407 0.114 15 0 "[ . 1 . 2]" 1 132 1 7 LEU QD 1 31 PHE HA 0.000 . 7.900 3.289 2.390 4.519 . 0 0 "[ . 1 . 2]" 1 133 1 7 LEU QD 1 31 PHE QB 0.000 . 8.900 2.691 2.243 3.350 . 0 0 "[ . 1 . 2]" 1 134 1 7 LEU QD 1 32 LEU H 0.000 . 7.900 2.733 1.849 3.620 0.151 1 0 "[ . 1 . 2]" 1 135 1 7 LEU QD 1 33 ASN H 0.000 . 7.900 3.894 3.501 4.325 . 0 0 "[ . 1 . 2]" 1 136 1 7 LEU QD 1 33 ASN HA 0.000 . 7.900 2.019 1.745 2.917 0.255 16 0 "[ . 1 . 2]" 1 137 1 7 LEU QD 1 39 HIS HB2 0.000 . 7.900 3.059 2.052 3.987 . 0 0 "[ . 1 . 2]" 1 138 1 7 LEU QD 1 39 HIS HB3 0.000 . 7.900 2.797 1.917 3.908 0.083 19 0 "[ . 1 . 2]" 1 139 1 7 LEU QD 1 39 HIS HD2 0.000 . 7.900 3.519 2.820 4.299 . 0 0 "[ . 1 . 2]" 1 140 1 7 LEU QD 1 39 HIS HE2 0.000 . 7.900 3.715 3.140 4.352 . 0 0 "[ . 1 . 2]" 1 141 1 7 LEU QD 1 40 ASN H 0.000 . 7.900 5.007 4.158 5.826 . 0 0 "[ . 1 . 2]" 1 142 1 7 LEU QD 1 41 VAL MG1 0.000 . 9.400 4.719 3.735 5.476 . 0 0 "[ . 1 . 2]" 1 143 1 7 LEU QD 1 41 VAL MG2 0.000 . 7.960 3.155 2.203 3.771 . 0 0 "[ . 1 . 2]" 1 144 1 7 LEU QD 1 65 LEU MD2 0.000 . 9.400 3.958 2.232 5.550 . 0 0 "[ . 1 . 2]" 1 145 1 7 LEU QD 1 92 HIS HE1 0.000 . 7.900 4.780 3.893 5.532 . 0 0 "[ . 1 . 2]" 1 146 1 7 LEU HG 1 16 PHE QE 0.000 . 7.000 5.308 3.311 6.245 . 0 0 "[ . 1 . 2]" 1 147 1 7 LEU HG 1 34 ASN H 0.000 . 5.000 4.046 3.290 5.040 0.040 16 0 "[ . 1 . 2]" 1 148 1 8 GLY H 1 8 GLY QA 0.000 . 2.850 2.327 2.238 2.526 . 0 0 "[ . 1 . 2]" 1 149 1 8 GLY H 1 9 SER H 0.000 . 5.000 3.233 2.506 4.132 . 0 0 "[ . 1 . 2]" 1 150 1 8 GLY H 1 16 PHE HA 0.000 . 5.000 4.208 3.448 5.014 0.014 10 0 "[ . 1 . 2]" 1 151 1 8 GLY H 1 97 MET ME 0.000 . 6.000 3.240 2.177 4.795 . 0 0 "[ . 1 . 2]" 1 152 1 8 GLY QA 1 9 SER H 0.000 . 4.560 2.309 2.160 2.487 . 0 0 "[ . 1 . 2]" 1 153 1 8 GLY QA 1 15 VAL H 0.000 . 6.000 2.795 1.897 3.646 0.103 2 0 "[ . 1 . 2]" 1 154 1 8 GLY QA 1 35 LYS H 0.000 . 6.000 3.628 2.214 4.187 . 0 0 "[ . 1 . 2]" 1 155 1 8 GLY QA 1 39 HIS HE2 0.000 . 6.000 5.155 4.673 5.399 . 0 0 "[ . 1 . 2]" 1 156 1 9 SER H 1 9 SER HB2 0.000 . 4.000 3.590 3.507 3.625 . 0 0 "[ . 1 . 2]" 1 157 1 9 SER H 1 9 SER HB3 0.000 . 3.400 2.755 2.452 3.216 . 0 0 "[ . 1 . 2]" 1 158 1 9 SER H 1 13 LEU H 0.000 . 5.000 4.378 3.453 4.980 . 0 0 "[ . 1 . 2]" 1 159 1 9 SER H 1 15 VAL H 0.000 . 5.000 2.962 2.043 3.864 . 0 0 "[ . 1 . 2]" 1 160 1 9 SER H 1 15 VAL MG2 0.000 . 6.500 2.961 2.458 3.643 . 0 0 "[ . 1 . 2]" 1 161 1 9 SER HA 1 9 SER HB2 0.000 . 3.100 2.568 2.439 2.675 . 0 0 "[ . 1 . 2]" 1 162 1 9 SER HA 1 9 SER HB3 0.000 . 3.100 2.387 2.306 2.499 . 0 0 "[ . 1 . 2]" 1 163 1 9 SER HA 1 10 ASP H 0.000 . 3.560 3.404 2.318 3.584 0.024 10 0 "[ . 1 . 2]" 1 164 1 9 SER HB2 1 10 ASP H 0.000 . 3.560 2.848 2.071 3.631 0.071 16 0 "[ . 1 . 2]" 1 165 1 9 SER HB2 1 15 VAL MG2 0.000 . 6.500 4.316 3.508 5.312 . 0 0 "[ . 1 . 2]" 1 166 1 9 SER HB3 1 10 ASP H 0.000 . 5.000 3.655 3.344 4.281 . 0 0 "[ . 1 . 2]" 1 167 1 9 SER HB3 1 15 VAL MG2 0.000 . 6.500 3.036 2.188 4.232 . 0 0 "[ . 1 . 2]" 1 168 1 10 ASP H 1 10 ASP QB 0.000 . 4.160 3.050 2.250 3.505 . 0 0 "[ . 1 . 2]" 1 169 1 10 ASP H 1 15 VAL MG2 0.000 . 6.500 5.195 4.800 5.405 . 0 0 "[ . 1 . 2]" 1 170 1 10 ASP H 1 34 ASN HD21 0.000 . 5.000 4.291 3.029 4.997 . 0 0 "[ . 1 . 2]" 1 171 1 10 ASP H 1 34 ASN HD22 0.000 . 5.000 4.254 3.259 5.018 0.018 20 0 "[ . 1 . 2]" 1 172 1 10 ASP HA 1 10 ASP QB 0.000 . 3.560 2.372 2.171 2.524 . 0 0 "[ . 1 . 2]" 1 173 1 10 ASP HA 1 12 GLY H 0.000 . 5.000 4.193 3.423 4.999 . 0 0 "[ . 1 . 2]" 1 174 1 10 ASP HA 1 34 ASN HD21 0.000 . 3.560 3.491 3.141 3.589 0.029 19 0 "[ . 1 . 2]" 1 175 1 10 ASP HA 1 34 ASN HD22 0.000 . 5.000 2.679 1.954 3.246 0.046 8 0 "[ . 1 . 2]" 1 176 1 11 LYS HA 1 11 LYS QB 0.000 . 2.850 2.467 2.201 2.542 . 0 0 "[ . 1 . 2]" 1 177 1 11 LYS HA 1 11 LYS QD 0.000 . 6.000 3.602 1.942 4.286 0.058 6 0 "[ . 1 . 2]" 1 178 1 11 LYS HA 1 11 LYS QE 0.000 . 6.000 4.287 3.473 5.071 . 0 0 "[ . 1 . 2]" 1 179 1 11 LYS HA 1 12 GLY H 0.000 . 5.000 3.133 2.659 3.564 . 0 0 "[ . 1 . 2]" 1 180 1 12 GLY H 1 12 GLY QA 0.000 . 2.850 2.420 2.258 2.534 . 0 0 "[ . 1 . 2]" 1 181 1 12 GLY H 1 13 LEU H 0.000 . 3.560 2.835 1.888 3.585 0.112 12 0 "[ . 1 . 2]" 1 182 1 12 GLY QA 1 13 LEU H 0.000 . 6.000 2.480 2.153 2.944 . 0 0 "[ . 1 . 2]" 1 183 1 13 LEU H 1 13 LEU QB 0.000 . 3.450 2.652 2.159 3.137 . 0 0 "[ . 1 . 2]" 1 184 1 13 LEU H 1 13 LEU QD 0.000 . 7.810 3.277 2.014 4.059 . 0 0 "[ . 1 . 2]" 1 185 1 13 LEU H 1 14 LEU H 0.000 . 5.000 4.305 3.085 4.598 . 0 0 "[ . 1 . 2]" 1 186 1 13 LEU HA 1 13 LEU QB 0.000 . 5.000 2.452 2.195 2.547 . 0 0 "[ . 1 . 2]" 1 187 1 13 LEU HA 1 14 LEU H 0.000 . 5.000 2.640 2.184 3.507 . 0 0 "[ . 1 . 2]" 1 188 1 13 LEU QB 1 15 VAL MG2 0.000 . 6.060 3.461 2.546 4.266 . 0 0 "[ . 1 . 2]" 1 189 1 13 LEU QD 1 13 LEU HG 0.000 . 5.500 1.897 1.882 1.916 0.118 6 0 "[ . 1 . 2]" 1 190 1 13 LEU QD 1 14 LEU H 0.000 . 7.900 2.886 1.808 4.159 0.192 11 0 "[ . 1 . 2]" 1 191 1 14 LEU H 1 14 LEU HB2 0.000 . 3.100 2.556 2.360 2.824 . 0 0 "[ . 1 . 2]" 1 192 1 14 LEU H 1 14 LEU HB3 0.000 . 4.000 3.717 3.624 3.864 . 0 0 "[ . 1 . 2]" 1 193 1 14 LEU H 1 14 LEU MD1 0.000 . 6.500 3.651 2.483 4.063 . 0 0 "[ . 1 . 2]" 1 194 1 14 LEU H 1 14 LEU HG 0.000 . 2.850 2.702 2.015 2.897 0.047 18 0 "[ . 1 . 2]" 1 195 1 14 LEU H 1 15 VAL MG2 0.000 . 6.500 4.322 3.539 4.842 . 0 0 "[ . 1 . 2]" 1 196 1 14 LEU HA 1 14 LEU HB3 0.000 . 3.100 2.479 2.334 2.566 . 0 0 "[ . 1 . 2]" 1 197 1 14 LEU HA 1 14 LEU MD2 0.000 . 6.000 2.163 1.855 3.128 0.145 12 0 "[ . 1 . 2]" 1 198 1 14 LEU HA 1 15 VAL H 0.000 . 2.850 2.240 2.187 2.702 . 0 0 "[ . 1 . 2]" 1 199 1 14 LEU HA 1 39 HIS HE1 0.000 . 5.000 4.952 4.629 5.078 0.078 18 0 "[ . 1 . 2]" 1 200 1 14 LEU HB2 1 14 LEU MD1 0.000 . 4.060 2.210 1.967 2.601 0.033 4 0 "[ . 1 . 2]" 1 201 1 14 LEU HB2 1 14 LEU MD2 0.000 . 5.500 3.152 2.910 3.198 . 0 0 "[ . 1 . 2]" 1 202 1 14 LEU HB3 1 14 LEU MD1 0.000 . 3.350 2.482 2.039 2.922 . 0 0 "[ . 1 . 2]" 1 203 1 14 LEU HB3 1 14 LEU MD2 0.000 . 5.500 2.205 1.892 2.551 0.108 10 0 "[ . 1 . 2]" 1 204 1 14 LEU MD1 1 14 LEU HG 0.000 . 6.500 2.122 2.111 2.147 . 0 0 "[ . 1 . 2]" 1 205 1 14 LEU MD1 1 39 HIS HD2 0.000 . 6.500 5.105 3.875 5.325 . 0 0 "[ . 1 . 2]" 1 206 1 14 LEU MD1 1 92 HIS HD2 0.000 . 6.500 2.231 1.795 3.253 0.205 5 0 "[ . 1 . 2]" 1 207 1 14 LEU MD1 1 92 HIS HE1 0.000 . 6.500 4.044 2.892 4.567 . 0 0 "[ . 1 . 2]" 1 208 1 14 LEU MD2 1 14 LEU HG 0.000 . 5.060 2.130 2.112 2.152 . 0 0 "[ . 1 . 2]" 1 209 1 14 LEU MD2 1 36 VAL HB 0.000 . 6.500 2.348 1.795 4.374 0.205 3 0 "[ . 1 . 2]" 1 210 1 14 LEU MD2 1 39 HIS HE1 0.000 . 5.060 2.490 1.927 4.073 0.073 20 0 "[ . 1 . 2]" 1 211 1 14 LEU MD2 1 39 HIS HE2 0.000 . 6.500 2.883 1.906 4.083 0.094 20 0 "[ . 1 . 2]" 1 212 1 14 LEU MD2 1 92 HIS HD2 0.000 . 6.500 4.401 3.823 5.287 . 0 0 "[ . 1 . 2]" 1 213 1 14 LEU MD2 1 92 HIS HE1 0.000 . 6.500 5.156 4.626 5.450 . 0 0 "[ . 1 . 2]" 1 214 1 15 VAL H 1 15 VAL MG1 0.000 . 6.500 3.238 2.774 3.514 . 0 0 "[ . 1 . 2]" 1 215 1 15 VAL H 1 15 VAL MG2 0.000 . 5.060 2.127 1.867 2.336 0.133 18 0 "[ . 1 . 2]" 1 216 1 15 VAL HA 1 15 VAL MG1 0.000 . 6.100 2.221 2.052 2.426 . 0 0 "[ . 1 . 2]" 1 217 1 15 VAL HA 1 15 VAL MG2 0.000 . 6.100 3.172 3.143 3.194 . 0 0 "[ . 1 . 2]" 1 218 1 15 VAL HA 1 16 PHE H 0.000 . 2.850 2.311 2.200 2.456 . 0 0 "[ . 1 . 2]" 1 219 1 15 VAL HB 1 15 VAL MG1 0.000 . 4.060 2.131 2.108 2.152 . 0 0 "[ . 1 . 2]" 1 220 1 15 VAL HB 1 15 VAL MG2 0.000 . 4.060 2.136 2.111 2.153 . 0 0 "[ . 1 . 2]" 1 221 1 15 VAL MG2 1 17 GLU HB2 0.000 . 6.500 4.920 4.412 5.245 . 0 0 "[ . 1 . 2]" 1 222 1 16 PHE H 1 16 PHE HB2 0.000 . 3.100 2.289 2.191 2.447 . 0 0 "[ . 1 . 2]" 1 223 1 16 PHE H 1 16 PHE HB3 0.000 . 4.000 3.568 3.515 3.622 . 0 0 "[ . 1 . 2]" 1 224 1 16 PHE H 1 16 PHE QD 0.000 . 7.000 2.438 1.882 3.269 0.118 9 0 "[ . 1 . 2]" 1 225 1 16 PHE HA 1 16 PHE HB3 0.000 . 3.100 2.632 2.564 2.678 . 0 0 "[ . 1 . 2]" 1 226 1 16 PHE HA 1 16 PHE QD 0.000 . 6.000 2.759 2.195 3.047 . 0 0 "[ . 1 . 2]" 1 227 1 16 PHE HA 1 17 GLU H 0.000 . 2.850 2.340 2.223 2.586 . 0 0 "[ . 1 . 2]" 1 228 1 16 PHE HB2 1 16 PHE QD 0.000 . 5.000 2.474 2.307 2.767 . 0 0 "[ . 1 . 2]" 1 229 1 16 PHE HB2 1 19 ALA HA 0.000 . 2.850 2.507 2.125 2.856 0.006 7 0 "[ . 1 . 2]" 1 230 1 16 PHE HB3 1 16 PHE QD 0.000 . 2.850 2.419 2.298 2.659 . 0 0 "[ . 1 . 2]" 1 231 1 16 PHE HB3 1 19 ALA HA 0.000 . 5.000 2.845 2.062 3.455 . 0 0 "[ . 1 . 2]" 1 232 1 16 PHE QD 1 41 VAL MG1 0.000 . 8.500 5.996 5.453 6.388 . 0 0 "[ . 1 . 2]" 1 233 1 16 PHE QD 1 41 VAL MG2 0.000 . 8.500 5.263 4.538 5.722 . 0 0 "[ . 1 . 2]" 1 234 1 16 PHE QD 1 98 VAL HA 0.000 . 7.000 4.293 3.385 5.021 . 0 0 "[ . 1 . 2]" 1 235 1 16 PHE QE 1 41 VAL MG1 0.000 . 8.500 4.215 3.553 4.821 . 0 0 "[ . 1 . 2]" 1 236 1 16 PHE QE 1 41 VAL MG2 0.000 . 8.500 3.466 2.803 4.048 . 0 0 "[ . 1 . 2]" 1 237 1 16 PHE QE 1 42 VAL H 0.000 . 7.001 6.021 5.504 6.378 . 0 0 "[ . 1 . 2]" 1 238 1 16 PHE QE 1 87 PHE QD 0.000 . 9.000 3.025 2.017 3.632 . 0 0 "[ . 1 . 2]" 1 239 1 16 PHE QE 1 87 PHE QE 0.000 . 9.000 3.203 2.455 3.746 . 0 0 "[ . 1 . 2]" 1 240 1 16 PHE QE 1 88 TYR HA 0.000 . 5.560 3.517 2.699 4.670 . 0 0 "[ . 1 . 2]" 1 241 1 16 PHE QE 1 89 CYS H 0.000 . 7.000 4.996 4.472 5.792 . 0 0 "[ . 1 . 2]" 1 242 1 16 PHE QE 1 89 CYS QB 0.000 . 8.000 4.125 3.292 5.357 . 0 0 "[ . 1 . 2]" 1 243 1 16 PHE QE 1 98 VAL HA 0.000 . 5.560 3.808 2.952 4.879 . 0 0 "[ . 1 . 2]" 1 244 1 16 PHE HZ 1 31 PHE QE 0.000 . 7.000 6.251 5.899 6.540 . 0 0 "[ . 1 . 2]" 1 245 1 16 PHE HZ 1 41 VAL MG1 0.000 . 6.500 3.890 3.135 4.496 . 0 0 "[ . 1 . 2]" 1 246 1 16 PHE HZ 1 41 VAL MG2 0.000 . 6.500 2.776 2.046 3.726 . 0 0 "[ . 1 . 2]" 1 247 1 16 PHE HZ 1 87 PHE QD 0.000 . 7.000 3.049 2.600 3.520 . 0 0 "[ . 1 . 2]" 1 248 1 16 PHE HZ 1 88 TYR HA 0.000 . 5.000 4.601 3.536 5.023 0.023 9 0 "[ . 1 . 2]" 1 249 1 16 PHE HZ 1 99 GLY H 0.000 . 5.000 4.658 3.431 5.007 0.007 17 0 "[ . 1 . 2]" 1 250 1 17 GLU H 1 17 GLU HB2 0.000 . 3.100 2.694 2.507 2.882 . 0 0 "[ . 1 . 2]" 1 251 1 17 GLU H 1 17 GLU HB3 0.000 . 4.000 3.782 3.680 3.894 . 0 0 "[ . 1 . 2]" 1 252 1 17 GLU HA 1 19 ALA H 0.000 . 5.000 3.584 3.268 3.992 . 0 0 "[ . 1 . 2]" 1 253 1 18 PRO HA 1 19 ALA H 0.000 . 3.560 2.564 2.423 2.778 . 0 0 "[ . 1 . 2]" 1 254 1 18 PRO HA 1 20 LYS H 0.000 . 5.000 4.687 4.015 5.015 0.015 8 0 "[ . 1 . 2]" 1 255 1 18 PRO HB2 1 18 PRO QD 0.000 . 3.760 3.547 3.544 3.552 . 0 0 "[ . 1 . 2]" 1 256 1 18 PRO HB2 1 19 ALA H 0.000 . 5.000 2.448 1.973 2.768 0.027 19 0 "[ . 1 . 2]" 1 257 1 18 PRO HB2 1 20 LYS H 0.000 . 3.560 2.878 2.170 3.391 . 0 0 "[ . 1 . 2]" 1 258 1 18 PRO HB3 1 18 PRO QD 0.000 . 5.200 3.177 3.155 3.192 . 0 0 "[ . 1 . 2]" 1 259 1 18 PRO HB3 1 18 PRO QG 0.000 . 5.000 2.233 2.230 2.235 . 0 0 "[ . 1 . 2]" 1 260 1 18 PRO HB3 1 19 ALA H 0.000 . 5.000 3.395 3.195 3.544 . 0 0 "[ . 1 . 2]" 1 261 1 18 PRO HB3 1 20 LYS H 0.000 . 5.000 4.563 3.900 5.008 0.008 18 0 "[ . 1 . 2]" 1 262 1 18 PRO QD 1 18 PRO QG 0.000 . 3.560 1.963 1.961 1.965 0.039 14 0 "[ . 1 . 2]" 1 263 1 18 PRO QD 1 21 LEU MD1 0.000 . 7.500 2.442 1.842 3.912 0.158 14 0 "[ . 1 . 2]" 1 264 1 18 PRO QD 1 21 LEU MD2 0.000 . 7.500 3.634 2.327 5.048 . 0 0 "[ . 1 . 2]" 1 265 1 18 PRO QG 1 21 LEU MD1 0.000 . 7.500 2.778 1.993 4.330 0.007 12 0 "[ . 1 . 2]" 1 266 1 18 PRO QG 1 21 LEU MD2 0.000 . 7.500 3.763 1.835 5.409 0.165 5 0 "[ . 1 . 2]" 1 267 1 19 ALA H 1 19 ALA HA 0.000 . 2.850 2.897 2.880 2.947 0.097 2 0 "[ . 1 . 2]" 1 268 1 19 ALA H 1 19 ALA MB 0.000 . 6.100 2.145 2.054 2.285 . 0 0 "[ . 1 . 2]" 1 269 1 19 ALA H 1 20 LYS H 0.000 . 3.560 2.655 2.388 2.860 . 0 0 "[ . 1 . 2]" 1 270 1 19 ALA HA 1 19 ALA MB 0.000 . 3.950 2.128 2.107 2.151 . 0 0 "[ . 1 . 2]" 1 271 1 19 ALA HA 1 20 LYS H 0.000 . 5.000 3.531 3.256 3.591 . 0 0 "[ . 1 . 2]" 1 272 1 20 LYS H 1 20 LYS QB 0.000 . 4.160 2.653 2.113 3.172 . 0 0 "[ . 1 . 2]" 1 273 1 20 LYS H 1 20 LYS QG 0.000 . 6.000 2.542 1.823 4.134 0.177 11 0 "[ . 1 . 2]" 1 274 1 20 LYS HA 1 20 LYS QB 0.000 . 3.560 2.312 2.179 2.544 . 0 0 "[ . 1 . 2]" 1 275 1 20 LYS HA 1 20 LYS QD 0.000 . 6.000 3.817 2.496 4.346 . 0 0 "[ . 1 . 2]" 1 276 1 20 LYS HA 1 20 LYS QG 0.000 . 5.600 2.807 2.010 3.384 . 0 0 "[ . 1 . 2]" 1 277 1 20 LYS HA 1 21 LEU H 0.000 . 3.560 2.379 2.226 2.604 . 0 0 "[ . 1 . 2]" 1 278 1 20 LYS HA 1 21 LEU HA 0.000 . 5.000 4.538 4.459 4.614 . 0 0 "[ . 1 . 2]" 1 279 1 20 LYS HA 1 21 LEU MD1 0.000 . 6.500 4.829 3.140 5.363 . 0 0 "[ . 1 . 2]" 1 280 1 20 LYS HA 1 87 PHE QE 0.000 . 7.000 5.316 4.763 5.618 . 0 0 "[ . 1 . 2]" 1 281 1 20 LYS HA 1 87 PHE HZ 0.000 . 5.000 4.700 4.091 5.011 0.011 13 0 "[ . 1 . 2]" 1 282 1 20 LYS HA 1 100 LYS H 0.000 . 3.560 2.838 2.377 3.546 . 0 0 "[ . 1 . 2]" 1 283 1 20 LYS QB 1 21 LEU H 0.000 . 6.000 2.736 2.310 3.156 . 0 0 "[ . 1 . 2]" 1 284 1 21 LEU H 1 21 LEU MD1 0.000 . 6.500 4.202 3.136 4.700 . 0 0 "[ . 1 . 2]" 1 285 1 21 LEU H 1 22 THR H 0.000 . 5.000 4.157 3.783 4.383 . 0 0 "[ . 1 . 2]" 1 286 1 21 LEU H 1 101 ILE HA 0.000 . 3.560 3.303 2.750 3.588 0.028 1 0 "[ . 1 . 2]" 1 287 1 21 LEU H 1 102 THR H 0.000 . 5.000 3.625 3.061 4.152 . 0 0 "[ . 1 . 2]" 1 288 1 21 LEU HA 1 21 LEU MD1 0.000 . 6.500 2.981 1.875 3.773 0.125 13 0 "[ . 1 . 2]" 1 289 1 21 LEU HA 1 21 LEU MD2 0.000 . 6.500 3.016 2.173 3.793 . 0 0 "[ . 1 . 2]" 1 290 1 21 LEU HA 1 22 THR H 0.000 . 2.850 2.221 2.178 2.294 . 0 0 "[ . 1 . 2]" 1 291 1 21 LEU QB 1 21 LEU MD1 0.000 . 6.960 2.073 1.914 2.331 0.086 18 0 "[ . 1 . 2]" 1 292 1 21 LEU QB 1 21 LEU MD2 0.000 . 6.960 2.060 1.862 2.283 0.138 2 0 "[ . 1 . 2]" 1 293 1 21 LEU QB 1 21 LEU HG 0.000 . 5.000 2.458 2.194 2.546 . 0 0 "[ . 1 . 2]" 1 294 1 21 LEU QB 1 23 ILE MG 0.000 . 7.500 2.864 2.478 3.371 . 0 0 "[ . 1 . 2]" 1 295 1 21 LEU QB 1 101 ILE H 0.000 . 6.000 5.118 4.339 5.408 . 0 0 "[ . 1 . 2]" 1 296 1 21 LEU QB 1 101 ILE MD 0.000 . 7.500 4.043 3.171 4.421 . 0 0 "[ . 1 . 2]" 1 297 1 21 LEU QB 1 101 ILE MG 0.000 . 7.500 4.395 3.818 4.796 . 0 0 "[ . 1 . 2]" 1 298 1 21 LEU MD1 1 23 ILE MG 0.000 . 8.000 3.810 2.885 4.611 . 0 0 "[ . 1 . 2]" 1 299 1 21 LEU MD1 1 29 VAL MG1 0.000 . 8.000 3.187 2.058 3.985 . 0 0 "[ . 1 . 2]" 1 300 1 21 LEU MD1 1 87 PHE QE 0.000 . 8.500 4.939 3.299 6.045 . 0 0 "[ . 1 . 2]" 1 301 1 21 LEU MD1 1 101 ILE HA 0.000 . 6.500 4.950 3.720 5.429 . 0 0 "[ . 1 . 2]" 1 302 1 21 LEU MD1 1 101 ILE MD 0.000 . 8.000 5.021 3.395 5.540 . 0 0 "[ . 1 . 2]" 1 303 1 21 LEU MD2 1 22 THR H 0.000 . 6.500 3.578 2.224 4.810 . 0 0 "[ . 1 . 2]" 1 304 1 21 LEU MD2 1 23 ILE MG 0.000 . 8.000 2.624 1.625 4.880 0.375 2 0 "[ . 1 . 2]" 1 305 1 21 LEU MD2 1 29 VAL MG1 0.000 . 8.000 2.852 1.708 4.262 0.292 20 0 "[ . 1 . 2]" 1 306 1 21 LEU MD2 1 29 VAL MG2 0.000 . 8.000 3.812 2.340 5.344 . 0 0 "[ . 1 . 2]" 1 307 1 21 LEU MD2 1 87 PHE QE 0.000 . 8.500 5.361 3.887 6.474 . 0 0 "[ . 1 . 2]" 1 308 1 21 LEU HG 1 23 ILE MG 0.000 . 6.500 4.086 2.243 5.268 . 0 0 "[ . 1 . 2]" 1 309 1 22 THR H 1 22 THR HB 0.000 . 2.850 2.574 2.420 2.716 . 0 0 "[ . 1 . 2]" 1 310 1 22 THR H 1 22 THR HG1 0.000 . 6.000 3.309 3.104 3.490 . 0 0 "[ . 1 . 2]" 1 311 1 22 THR HA 1 22 THR HG1 0.000 . 5.600 2.179 2.055 2.391 . 0 0 "[ . 1 . 2]" 1 312 1 22 THR HA 1 23 ILE H 0.000 . 2.850 2.250 2.195 2.314 . 0 0 "[ . 1 . 2]" 1 313 1 22 THR HA 1 23 ILE MD 0.000 . 6.500 5.361 5.231 5.490 . 0 0 "[ . 1 . 2]" 1 314 1 22 THR HA 1 23 ILE QG 0.000 . 5.060 3.733 3.595 3.843 . 0 0 "[ . 1 . 2]" 1 315 1 22 THR HA 1 23 ILE MG 0.000 . 6.500 4.159 3.905 4.346 . 0 0 "[ . 1 . 2]" 1 316 1 22 THR HA 1 101 ILE MG 0.000 . 6.500 4.383 3.802 4.601 . 0 0 "[ . 1 . 2]" 1 317 1 22 THR HA 1 102 THR H 0.000 . 2.850 2.519 2.150 2.848 . 0 0 "[ . 1 . 2]" 1 318 1 22 THR HA 1 102 THR HB 0.000 . 3.560 2.038 1.834 2.656 0.166 17 0 "[ . 1 . 2]" 1 319 1 22 THR HB 1 22 THR HG1 0.000 . 3.560 2.056 1.942 2.087 0.058 9 0 "[ . 1 . 2]" 1 320 1 22 THR HB 1 23 ILE H 0.000 . 5.000 4.401 4.178 4.503 . 0 0 "[ . 1 . 2]" 1 321 1 22 THR HG1 1 102 THR HA 0.000 . 6.500 4.361 3.982 4.791 . 0 0 "[ . 1 . 2]" 1 322 1 22 THR HG1 1 102 THR HB 0.000 . 6.500 2.130 1.770 2.798 0.230 2 0 "[ . 1 . 2]" 1 323 1 22 THR HG1 1 104 ALA HA 0.000 . 6.500 4.916 3.792 5.174 . 0 0 "[ . 1 . 2]" 1 324 1 22 THR HG1 1 104 ALA MB 0.000 . 6.560 3.481 2.976 4.155 . 0 0 "[ . 1 . 2]" 1 325 1 23 ILE H 1 23 ILE HA 0.000 . 2.850 2.963 2.957 2.975 0.125 16 0 "[ . 1 . 2]" 1 326 1 23 ILE H 1 23 ILE HB 0.000 . 5.000 3.680 3.638 3.814 . 0 0 "[ . 1 . 2]" 1 327 1 23 ILE H 1 23 ILE MD 0.000 . 6.530 3.607 3.570 3.725 . 0 0 "[ . 1 . 2]" 1 328 1 23 ILE H 1 23 ILE QG 0.000 . 6.500 1.843 1.788 2.021 0.212 2 0 "[ . 1 . 2]" 1 329 1 23 ILE H 1 23 ILE MG 0.000 . 5.060 2.853 2.715 3.119 . 0 0 "[ . 1 . 2]" 1 330 1 23 ILE H 1 102 THR H 0.000 . 3.560 2.802 2.520 3.160 . 0 0 "[ . 1 . 2]" 1 331 1 23 ILE H 1 103 VAL HA 0.000 . 3.560 3.392 2.946 3.604 0.044 4 0 "[ . 1 . 2]" 1 332 1 23 ILE HA 1 23 ILE MD 0.000 . 6.100 3.966 3.867 4.074 . 0 0 "[ . 1 . 2]" 1 333 1 23 ILE HA 1 23 ILE MG 0.000 . 4.660 2.210 2.139 2.321 . 0 0 "[ . 1 . 2]" 1 334 1 23 ILE HA 1 24 LYS H 0.000 . 2.850 2.528 2.393 2.663 . 0 0 "[ . 1 . 2]" 1 335 1 23 ILE HA 1 27 ASP QB 0.000 . 6.000 3.896 3.556 4.462 . 0 0 "[ . 1 . 2]" 1 336 1 23 ILE HA 1 101 ILE MG 0.000 . 6.500 5.111 4.810 5.237 . 0 0 "[ . 1 . 2]" 1 337 1 23 ILE HA 1 103 VAL MG2 0.000 . 6.500 4.838 4.183 5.150 . 0 0 "[ . 1 . 2]" 1 338 1 23 ILE HB 1 23 ILE MD 0.000 . 4.810 2.091 1.894 2.164 0.106 13 0 "[ . 1 . 2]" 1 339 1 23 ILE HB 1 23 ILE QG 0.000 . 5.500 2.544 2.524 2.550 . 0 0 "[ . 1 . 2]" 1 340 1 23 ILE HB 1 23 ILE MG 0.000 . 4.060 2.114 2.103 2.147 . 0 0 "[ . 1 . 2]" 1 341 1 23 ILE HB 1 24 LYS H 0.000 . 2.850 2.213 1.928 2.457 0.072 6 0 "[ . 1 . 2]" 1 342 1 23 ILE HB 1 27 ASP H 0.000 . 5.000 4.135 3.671 5.058 0.058 17 0 "[ . 1 . 2]" 1 343 1 23 ILE HB 1 27 ASP HB2 0.000 . 3.560 2.332 1.850 2.979 0.150 2 0 "[ . 1 . 2]" 1 344 1 23 ILE HB 1 27 ASP HB3 0.000 . 5.000 3.365 2.965 4.011 . 0 0 "[ . 1 . 2]" 1 345 1 23 ILE HB 1 101 ILE MG 0.000 . 6.500 4.148 4.060 4.285 . 0 0 "[ . 1 . 2]" 1 346 1 23 ILE HB 1 103 VAL MG2 0.000 . 6.500 3.854 3.444 4.213 . 0 0 "[ . 1 . 2]" 1 347 1 23 ILE MD 1 23 ILE QG 0.000 . 5.310 1.907 1.877 1.917 0.123 13 0 "[ . 1 . 2]" 1 348 1 23 ILE MD 1 23 ILE MG 0.000 . 5.310 2.745 2.418 2.894 . 0 0 "[ . 1 . 2]" 1 349 1 23 ILE MD 1 24 LYS HA 0.000 . 6.500 4.185 3.867 4.739 . 0 0 "[ . 1 . 2]" 1 350 1 23 ILE MD 1 27 ASP HB2 0.000 . 6.500 2.939 2.180 3.607 . 0 0 "[ . 1 . 2]" 1 351 1 23 ILE MD 1 27 ASP HB3 0.000 . 6.500 4.136 3.452 4.587 . 0 0 "[ . 1 . 2]" 1 352 1 23 ILE MD 1 28 THR HA 0.000 . 6.500 5.236 5.129 5.291 . 0 0 "[ . 1 . 2]" 1 353 1 23 ILE MD 1 76 PHE H 0.000 . 6.500 4.943 4.645 5.299 . 0 0 "[ . 1 . 2]" 1 354 1 23 ILE MD 1 80 ALA HA 0.000 . 6.500 5.420 5.370 5.478 . 0 0 "[ . 1 . 2]" 1 355 1 23 ILE MD 1 101 ILE HB 0.000 . 5.060 3.978 3.923 4.045 . 0 0 "[ . 1 . 2]" 1 356 1 23 ILE MD 1 101 ILE MG 0.000 . 6.560 1.799 1.706 1.881 0.294 18 0 "[ . 1 . 2]" 1 357 1 23 ILE MD 1 103 VAL HA 0.000 . 6.500 3.660 3.383 4.148 . 0 0 "[ . 1 . 2]" 1 358 1 23 ILE MD 1 103 VAL HB 0.000 . 5.060 4.040 3.945 4.092 . 0 0 "[ . 1 . 2]" 1 359 1 23 ILE MD 1 103 VAL MG2 0.000 . 6.560 1.738 1.648 1.854 0.352 3 0 "[ . 1 . 2]" 1 360 1 23 ILE QG 1 23 ILE MG 0.000 . 7.500 1.922 1.858 2.120 0.142 8 0 "[ . 1 . 2]" 1 361 1 23 ILE QG 1 24 LYS H 0.000 . 6.500 3.813 3.559 4.005 . 0 0 "[ . 1 . 2]" 1 362 1 23 ILE QG 1 29 VAL MG1 0.000 . 6.560 4.353 4.036 4.569 . 0 0 "[ . 1 . 2]" 1 363 1 23 ILE QG 1 101 ILE MG 0.000 . 8.000 1.819 1.706 1.938 0.294 16 0 "[ . 1 . 2]" 1 364 1 23 ILE QG 1 103 VAL MG2 0.000 . 8.000 1.891 1.784 2.161 0.216 19 0 "[ . 1 . 2]" 1 365 1 23 ILE QG 1 104 ALA H 0.000 . 6.500 4.911 4.206 5.422 . 0 0 "[ . 1 . 2]" 1 366 1 23 ILE MG 1 24 LYS H 0.000 . 5.060 3.531 3.403 3.636 . 0 0 "[ . 1 . 2]" 1 367 1 23 ILE MG 1 24 LYS HA 0.000 . 6.500 5.517 5.485 5.547 . 0 0 "[ . 1 . 2]" 1 368 1 23 ILE MG 1 27 ASP HB2 0.000 . 6.500 3.468 2.804 4.106 . 0 0 "[ . 1 . 2]" 1 369 1 23 ILE MG 1 27 ASP HB3 0.000 . 6.500 3.541 2.641 4.237 . 0 0 "[ . 1 . 2]" 1 370 1 23 ILE MG 1 76 PHE QD 0.000 . 8.500 5.068 4.539 5.785 . 0 0 "[ . 1 . 2]" 1 371 1 23 ILE MG 1 76 PHE QE 0.000 . 8.500 5.050 4.430 5.638 . 0 0 "[ . 1 . 2]" 1 372 1 23 ILE MG 1 101 ILE MG 0.000 . 8.000 3.431 3.259 3.650 . 0 0 "[ . 1 . 2]" 1 373 1 23 ILE MG 1 103 VAL MG2 0.000 . 8.000 4.076 3.864 4.303 . 0 0 "[ . 1 . 2]" 1 374 1 24 LYS H 1 24 LYS QB 0.000 . 3.450 2.446 2.139 2.828 . 0 0 "[ . 1 . 2]" 1 375 1 24 LYS H 1 24 LYS QD 0.000 . 4.560 3.507 2.643 4.143 . 0 0 "[ . 1 . 2]" 1 376 1 24 LYS H 1 24 LYS QG 0.000 . 4.560 2.992 1.825 4.054 0.175 17 0 "[ . 1 . 2]" 1 377 1 24 LYS H 1 27 ASP H 0.000 . 5.000 3.854 3.297 4.741 . 0 0 "[ . 1 . 2]" 1 378 1 24 LYS H 1 27 ASP HB2 0.000 . 3.560 2.459 2.007 3.341 . 0 0 "[ . 1 . 2]" 1 379 1 24 LYS H 1 27 ASP HB3 0.000 . 5.000 3.514 3.233 4.002 . 0 0 "[ . 1 . 2]" 1 380 1 24 LYS HA 1 25 PRO QD 0.000 . 6.000 2.175 2.071 2.578 . 0 0 "[ . 1 . 2]" 1 381 1 24 LYS HA 1 103 VAL MG1 0.000 . 6.500 2.665 2.003 3.377 . 0 0 "[ . 1 . 2]" 1 382 1 24 LYS HA 1 103 VAL MG2 0.000 . 6.500 4.350 3.392 4.832 . 0 0 "[ . 1 . 2]" 1 383 1 24 LYS HA 1 104 ALA H 0.000 . 5.001 3.870 2.907 5.004 0.003 4 0 "[ . 1 . 2]" 1 384 1 24 LYS HA 1 104 ALA MB 0.000 . 6.500 4.657 3.575 5.450 . 0 0 "[ . 1 . 2]" 1 385 1 25 PRO HA 1 25 PRO HB3 0.000 . 3.100 2.302 2.297 2.305 . 0 0 "[ . 1 . 2]" 1 386 1 25 PRO HA 1 26 GLY H 0.000 . 2.850 2.460 2.343 2.588 . 0 0 "[ . 1 . 2]" 1 387 1 25 PRO HA 1 103 VAL MG1 0.000 . 6.500 1.910 1.697 2.218 0.303 11 0 "[ . 1 . 2]" 1 388 1 25 PRO HA 1 103 VAL MG2 0.000 . 6.500 3.366 2.890 3.777 . 0 0 "[ . 1 . 2]" 1 389 1 25 PRO HB2 1 25 PRO QD 0.000 . 5.000 3.562 3.546 3.570 . 0 0 "[ . 1 . 2]" 1 390 1 25 PRO HB3 1 25 PRO QD 0.000 . 5.000 3.187 3.143 3.231 . 0 0 "[ . 1 . 2]" 1 391 1 25 PRO HB3 1 26 GLY H 0.000 . 5.000 4.581 4.481 4.661 . 0 0 "[ . 1 . 2]" 1 392 1 25 PRO QD 1 25 PRO QG 0.000 . 5.000 1.968 1.963 1.971 0.037 19 0 "[ . 1 . 2]" 1 393 1 25 PRO QD 1 103 VAL MG1 0.000 . 7.500 2.692 2.286 3.492 . 0 0 "[ . 1 . 2]" 1 394 1 25 PRO QD 1 103 VAL MG2 0.000 . 7.500 4.771 4.075 5.226 . 0 0 "[ . 1 . 2]" 1 395 1 25 PRO QG 1 103 VAL MG1 0.000 . 7.500 3.370 2.961 4.017 . 0 0 "[ . 1 . 2]" 1 396 1 26 GLY H 1 26 GLY QA 0.000 . 2.850 2.425 2.361 2.471 . 0 0 "[ . 1 . 2]" 1 397 1 26 GLY H 1 27 ASP H 0.000 . 5.000 2.161 1.868 3.660 0.132 9 0 "[ . 1 . 2]" 1 398 1 26 GLY H 1 76 PHE HB2 0.000 . 5.000 3.618 3.088 4.674 . 0 0 "[ . 1 . 2]" 1 399 1 26 GLY H 1 76 PHE HB3 0.000 . 5.000 3.353 2.637 3.961 . 0 0 "[ . 1 . 2]" 1 400 1 26 GLY H 1 101 ILE MD 0.000 . 6.500 5.425 5.379 5.459 . 0 0 "[ . 1 . 2]" 1 401 1 26 GLY H 1 103 VAL MG1 0.000 . 6.500 3.340 2.812 3.947 . 0 0 "[ . 1 . 2]" 1 402 1 26 GLY QA 1 27 ASP H 0.000 . 4.560 2.825 2.260 2.941 . 0 0 "[ . 1 . 2]" 1 403 1 27 ASP H 1 27 ASP HB2 0.000 . 3.100 2.375 2.220 3.183 0.083 17 0 "[ . 1 . 2]" 1 404 1 27 ASP H 1 27 ASP HB3 0.000 . 4.000 3.607 3.533 4.057 0.057 17 0 "[ . 1 . 2]" 1 405 1 27 ASP H 1 28 THR H 0.000 . 5.000 4.559 4.059 4.701 . 0 0 "[ . 1 . 2]" 1 406 1 27 ASP H 1 76 PHE HB2 0.000 . 5.000 3.615 2.381 4.561 . 0 0 "[ . 1 . 2]" 1 407 1 27 ASP H 1 76 PHE HB3 0.000 . 5.000 4.243 2.567 5.038 0.038 17 0 "[ . 1 . 2]" 1 408 1 27 ASP HA 1 27 ASP HB3 0.000 . 3.100 2.619 2.440 2.687 . 0 0 "[ . 1 . 2]" 1 409 1 27 ASP HA 1 28 THR H 0.000 . 3.560 2.670 2.449 3.079 . 0 0 "[ . 1 . 2]" 1 410 1 27 ASP HB2 1 28 THR H 0.000 . 3.560 3.441 2.346 3.591 0.031 12 0 "[ . 1 . 2]" 1 411 1 27 ASP HB3 1 28 THR H 0.000 . 5.000 2.065 1.833 2.497 0.167 19 0 "[ . 1 . 2]" 1 412 1 28 THR H 1 28 THR HA 0.000 . 2.850 2.972 2.938 2.980 0.130 1 0 "[ . 1 . 2]" 1 413 1 28 THR H 1 28 THR HB 0.000 . 5.000 2.739 2.505 3.145 . 0 0 "[ . 1 . 2]" 1 414 1 28 THR H 1 28 THR HG1 0.000 . 6.000 3.189 2.589 3.686 . 0 0 "[ . 1 . 2]" 1 415 1 28 THR HA 1 28 THR HG1 0.000 . 5.600 2.225 2.016 2.380 . 0 0 "[ . 1 . 2]" 1 416 1 28 THR HA 1 29 VAL H 0.000 . 2.850 2.228 2.182 2.374 . 0 0 "[ . 1 . 2]" 1 417 1 28 THR HA 1 29 VAL MG2 0.000 . 6.500 3.322 3.079 3.643 . 0 0 "[ . 1 . 2]" 1 418 1 28 THR HA 1 75 THR H 0.000 . 5.000 5.027 4.977 5.062 0.062 15 0 "[ . 1 . 2]" 1 419 1 28 THR HA 1 75 THR HA 0.000 . 2.850 2.339 2.145 2.581 . 0 0 "[ . 1 . 2]" 1 420 1 28 THR HA 1 75 THR HG1 0.000 . 6.500 3.841 2.834 4.896 . 0 0 "[ . 1 . 2]" 1 421 1 28 THR HA 1 76 PHE QD 0.000 . 7.000 3.531 3.060 4.259 . 0 0 "[ . 1 . 2]" 1 422 1 28 THR HB 1 28 THR HG1 0.000 . 3.560 1.975 1.869 2.071 0.131 4 0 "[ . 1 . 2]" 1 423 1 28 THR HG1 1 29 VAL H 0.000 . 5.060 2.587 1.973 3.087 0.027 12 0 "[ . 1 . 2]" 1 424 1 28 THR HG1 1 73 SER HA 0.000 . 6.500 4.003 3.247 4.563 . 0 0 "[ . 1 . 2]" 1 425 1 28 THR HG1 1 73 SER QB 0.000 . 7.500 2.914 2.068 4.252 . 0 0 "[ . 1 . 2]" 1 426 1 28 THR HG1 1 74 THR H 0.000 . 6.500 4.063 2.900 4.855 . 0 0 "[ . 1 . 2]" 1 427 1 28 THR HG1 1 75 THR H 0.000 . 6.500 3.668 3.272 3.889 . 0 0 "[ . 1 . 2]" 1 428 1 29 VAL H 1 29 VAL HA 0.000 . 2.850 2.967 2.957 2.976 0.126 2 0 "[ . 1 . 2]" 1 429 1 29 VAL H 1 29 VAL HB 0.000 . 3.560 2.836 2.590 3.016 . 0 0 "[ . 1 . 2]" 1 430 1 29 VAL H 1 29 VAL MG1 0.000 . 6.500 3.878 3.804 3.974 . 0 0 "[ . 1 . 2]" 1 431 1 29 VAL H 1 29 VAL MG2 0.000 . 6.500 2.294 1.862 2.684 0.138 10 0 "[ . 1 . 2]" 1 432 1 29 VAL HA 1 29 VAL MG1 0.000 . 4.760 2.168 2.001 2.354 . 0 0 "[ . 1 . 2]" 1 433 1 29 VAL HA 1 29 VAL MG2 0.000 . 4.760 2.542 2.385 2.688 . 0 0 "[ . 1 . 2]" 1 434 1 29 VAL HA 1 30 GLU H 0.000 . 5.000 2.229 2.191 2.336 . 0 0 "[ . 1 . 2]" 1 435 1 29 VAL HB 1 29 VAL MG1 0.000 . 3.350 2.135 2.109 2.150 . 0 0 "[ . 1 . 2]" 1 436 1 29 VAL HB 1 29 VAL MG2 0.000 . 3.350 2.135 2.109 2.152 . 0 0 "[ . 1 . 2]" 1 437 1 29 VAL HB 1 31 PHE QD 0.000 . 7.000 4.135 3.902 4.460 . 0 0 "[ . 1 . 2]" 1 438 1 29 VAL HB 1 74 THR H 0.000 . 5.000 4.569 3.902 5.027 0.027 11 0 "[ . 1 . 2]" 1 439 1 29 VAL HB 1 76 PHE QD 0.000 . 7.000 3.960 3.459 5.058 . 0 0 "[ . 1 . 2]" 1 440 1 29 VAL HB 1 76 PHE HZ 0.000 . 5.000 4.834 4.440 5.003 0.003 1 0 "[ . 1 . 2]" 1 441 1 29 VAL MG1 1 31 PHE HA 0.000 . 6.500 4.772 4.401 5.162 . 0 0 "[ . 1 . 2]" 1 442 1 29 VAL MG1 1 31 PHE QD 0.000 . 8.500 2.941 2.404 3.498 . 0 0 "[ . 1 . 2]" 1 443 1 29 VAL MG1 1 31 PHE QE 0.000 . 8.500 2.030 1.807 2.541 0.193 1 0 "[ . 1 . 2]" 1 444 1 29 VAL MG2 1 75 THR HA 0.000 . 6.500 4.818 4.318 5.285 . 0 0 "[ . 1 . 2]" 1 445 1 30 GLU H 1 30 GLU HA 0.000 . 2.850 2.964 2.954 2.975 0.125 16 0 "[ . 1 . 2]" 1 446 1 30 GLU H 1 30 GLU QB 0.000 . 3.450 2.375 2.222 2.665 . 0 0 "[ . 1 . 2]" 1 447 1 30 GLU H 1 30 GLU QG 0.000 . 6.000 3.573 2.296 4.126 . 0 0 "[ . 1 . 2]" 1 448 1 30 GLU HA 1 30 GLU QB 0.000 . 5.000 2.450 2.279 2.543 . 0 0 "[ . 1 . 2]" 1 449 1 30 GLU HA 1 30 GLU QG 0.000 . 5.600 2.252 1.905 3.130 0.095 13 0 "[ . 1 . 2]" 1 450 1 30 GLU HA 1 31 PHE H 0.000 . 2.850 2.241 2.176 2.441 . 0 0 "[ . 1 . 2]" 1 451 1 30 GLU HA 1 73 SER HA 0.000 . 2.850 2.371 1.879 2.873 0.121 1 0 "[ . 1 . 2]" 1 452 1 30 GLU HA 1 74 THR H 0.000 . 5.000 3.671 3.003 4.278 . 0 0 "[ . 1 . 2]" 1 453 1 30 GLU QB 1 31 PHE H 0.000 . 6.000 3.378 2.505 3.754 . 0 0 "[ . 1 . 2]" 1 454 1 30 GLU QB 1 73 SER HA 0.000 . 6.000 4.038 3.112 4.904 . 0 0 "[ . 1 . 2]" 1 455 1 30 GLU QG 1 31 PHE H 0.000 . 6.000 3.228 2.013 4.461 . 0 0 "[ . 1 . 2]" 1 456 1 30 GLU QG 1 73 SER HA 0.000 . 6.000 2.996 2.275 4.302 . 0 0 "[ . 1 . 2]" 1 457 1 31 PHE H 1 31 PHE QB 0.000 . 5.600 3.048 2.788 3.202 . 0 0 "[ . 1 . 2]" 1 458 1 31 PHE H 1 31 PHE QD 0.000 . 5.560 2.469 1.909 3.236 0.091 13 0 "[ . 1 . 2]" 1 459 1 31 PHE H 1 32 LEU H 0.000 . 5.000 4.114 3.385 4.620 . 0 0 "[ . 1 . 2]" 1 460 1 31 PHE H 1 72 THR H 0.000 . 5.000 3.786 3.037 5.020 0.020 13 0 "[ . 1 . 2]" 1 461 1 31 PHE H 1 72 THR HG1 0.000 . 6.500 4.720 3.906 5.255 . 0 0 "[ . 1 . 2]" 1 462 1 31 PHE H 1 73 SER HA 0.000 . 5.000 3.359 2.476 4.411 . 0 0 "[ . 1 . 2]" 1 463 1 31 PHE HA 1 31 PHE QB 0.000 . 5.200 2.207 2.185 2.246 . 0 0 "[ . 1 . 2]" 1 464 1 31 PHE HA 1 31 PHE QD 0.000 . 4.560 3.251 2.649 3.474 . 0 0 "[ . 1 . 2]" 1 465 1 31 PHE HA 1 32 LEU H 0.000 . 2.850 2.320 2.239 2.375 . 0 0 "[ . 1 . 2]" 1 466 1 31 PHE QB 1 31 PHE QD 0.000 . 3.760 2.160 2.153 2.175 . 0 0 "[ . 1 . 2]" 1 467 1 31 PHE QB 1 32 LEU H 0.000 . 5.800 3.325 2.817 3.828 . 0 0 "[ . 1 . 2]" 1 468 1 31 PHE QB 1 41 VAL MG2 0.000 . 7.500 2.394 1.837 3.095 0.163 17 0 "[ . 1 . 2]" 1 469 1 31 PHE QD 1 32 LEU H 0.000 . 7.000 4.822 4.589 4.999 . 0 0 "[ . 1 . 2]" 1 470 1 31 PHE QD 1 72 THR HG1 0.000 . 8.500 3.431 1.931 4.454 0.069 3 0 "[ . 1 . 2]" 1 471 1 31 PHE QD 1 73 SER HA 0.000 . 7.000 3.855 2.441 4.658 . 0 0 "[ . 1 . 2]" 1 472 1 31 PHE QD 1 74 THR H 0.000 . 7.000 3.781 3.195 4.340 . 0 0 "[ . 1 . 2]" 1 473 1 31 PHE QD 1 74 THR HB 0.000 . 7.000 4.889 4.292 5.562 . 0 0 "[ . 1 . 2]" 1 474 1 31 PHE QD 1 76 PHE QD 0.000 . 9.000 6.906 6.771 7.124 . 0 0 "[ . 1 . 2]" 1 475 1 31 PHE QD 1 87 PHE QE 0.000 . 9.000 4.622 3.567 5.425 . 0 0 "[ . 1 . 2]" 1 476 1 31 PHE QE 1 41 VAL MG1 0.000 . 8.500 3.366 2.833 3.808 . 0 0 "[ . 1 . 2]" 1 477 1 31 PHE QE 1 43 PHE HZ 0.000 . 7.000 3.933 3.290 4.261 . 0 0 "[ . 1 . 2]" 1 478 1 31 PHE QE 1 74 THR HB 0.000 . 7.000 2.632 1.916 3.407 0.084 15 0 "[ . 1 . 2]" 1 479 1 31 PHE QE 1 76 PHE QD 0.000 . 9.000 4.941 4.789 5.105 . 0 0 "[ . 1 . 2]" 1 480 1 31 PHE QE 1 87 PHE QE 0.000 . 9.000 4.615 4.029 5.253 . 0 0 "[ . 1 . 2]" 1 481 1 31 PHE QE 1 101 ILE MD 0.000 . 8.500 3.600 3.179 3.960 . 0 0 "[ . 1 . 2]" 1 482 1 31 PHE HZ 1 73 SER HA 0.000 . 5.000 5.026 4.970 5.051 0.051 2 0 "[ . 1 . 2]" 1 483 1 31 PHE HZ 1 74 THR H 0.000 . 5.001 3.529 3.244 4.237 . 0 0 "[ . 1 . 2]" 1 484 1 31 PHE HZ 1 74 THR HB 0.000 . 5.000 2.454 1.865 4.027 0.135 11 0 "[ . 1 . 2]" 1 485 1 31 PHE HZ 1 87 PHE QD 0.000 . 7.000 6.110 5.487 6.511 . 0 0 "[ . 1 . 2]" 1 486 1 31 PHE HZ 1 87 PHE QE 0.000 . 7.000 6.104 5.477 6.495 . 0 0 "[ . 1 . 2]" 1 487 1 32 LEU H 1 32 LEU HA 0.000 . 2.850 2.958 2.945 2.965 0.115 1 0 "[ . 1 . 2]" 1 488 1 32 LEU H 1 32 LEU QB 0.000 . 4.160 2.924 2.473 3.263 . 0 0 "[ . 1 . 2]" 1 489 1 32 LEU H 1 32 LEU QD 0.000 . 7.810 2.222 1.686 3.034 0.314 14 0 "[ . 1 . 2]" 1 490 1 32 LEU HA 1 32 LEU QD 0.000 . 5.050 3.131 2.334 3.430 . 0 0 "[ . 1 . 2]" 1 491 1 32 LEU HA 1 33 ASN H 0.000 . 2.850 2.578 2.325 2.812 . 0 0 "[ . 1 . 2]" 1 492 1 32 LEU HA 1 71 SER HA 0.000 . 3.560 3.649 3.321 3.821 0.261 2 0 "[ . 1 . 2]" 1 493 1 32 LEU QB 1 32 LEU QD 0.000 . 7.020 1.799 1.676 1.990 0.324 20 0 "[ . 1 . 2]" 1 494 1 32 LEU QB 1 33 ASN H 0.000 . 5.800 2.212 1.825 2.571 0.175 14 0 "[ . 1 . 2]" 1 495 1 32 LEU QB 1 71 SER HA 0.000 . 6.000 4.773 4.216 5.149 . 0 0 "[ . 1 . 2]" 1 496 1 32 LEU QD 1 32 LEU HG 0.000 . 5.500 1.892 1.880 1.909 0.120 1 0 "[ . 1 . 2]" 1 497 1 32 LEU QD 1 33 ASN H 0.000 . 7.900 3.499 2.540 3.898 . 0 0 "[ . 1 . 2]" 1 498 1 32 LEU QD 1 69 GLY H 0.000 . 7.900 4.362 3.723 4.770 . 0 0 "[ . 1 . 2]" 1 499 1 32 LEU QD 1 69 GLY QA 0.000 . 8.900 2.657 1.764 3.904 0.236 12 0 "[ . 1 . 2]" 1 500 1 32 LEU QD 1 71 SER HA 0.000 . 7.900 5.288 4.099 5.901 . 0 0 "[ . 1 . 2]" 1 501 1 32 LEU QD 1 71 SER QB 0.000 . 8.900 4.010 2.002 4.659 . 0 0 "[ . 1 . 2]" 1 502 1 33 ASN H 1 33 ASN HB2 0.000 . 4.000 3.697 3.533 3.846 . 0 0 "[ . 1 . 2]" 1 503 1 33 ASN H 1 33 ASN HB3 0.000 . 3.400 2.582 2.267 3.358 . 0 0 "[ . 1 . 2]" 1 504 1 33 ASN H 1 69 GLY H 0.000 . 5.000 2.889 2.444 3.561 . 0 0 "[ . 1 . 2]" 1 505 1 33 ASN H 1 70 GLN H 0.000 . 5.000 2.996 1.852 4.780 0.148 10 0 "[ . 1 . 2]" 1 506 1 33 ASN H 1 71 SER HA 0.000 . 5.000 4.679 4.156 5.022 0.022 5 0 "[ . 1 . 2]" 1 507 1 33 ASN H 1 71 SER QB 0.000 . 6.000 3.420 2.725 3.841 . 0 0 "[ . 1 . 2]" 1 508 1 33 ASN HA 1 33 ASN HB2 0.000 . 3.100 2.334 2.302 2.694 . 0 0 "[ . 1 . 2]" 1 509 1 33 ASN HA 1 33 ASN HB3 0.000 . 3.100 2.640 2.277 2.683 . 0 0 "[ . 1 . 2]" 1 510 1 33 ASN HA 1 34 ASN H 0.000 . 3.560 2.436 2.216 2.694 . 0 0 "[ . 1 . 2]" 1 511 1 33 ASN HA 1 39 HIS HD2 0.000 . 3.560 3.627 3.594 3.675 0.115 13 0 "[ . 1 . 2]" 1 512 1 33 ASN HB2 1 69 GLY H 0.000 . 5.000 4.342 2.639 4.519 . 0 0 "[ . 1 . 2]" 1 513 1 33 ASN HB3 1 33 ASN HD22 0.000 . 3.560 3.686 3.444 3.757 0.197 4 0 "[ . 1 . 2]" 1 514 1 33 ASN HB3 1 68 PRO HA 0.000 . 5.000 4.623 3.915 5.012 0.012 16 0 "[ . 1 . 2]" 1 515 1 33 ASN HB3 1 69 GLY H 0.000 . 3.560 3.681 3.607 3.891 0.331 6 0 "[ . 1 . 2]" 1 516 1 33 ASN HB3 1 70 GLN H 0.000 . 5.000 4.251 3.474 5.041 0.041 13 0 "[ . 1 . 2]" 1 517 1 33 ASN HB3 1 71 SER HA 0.000 . 5.000 4.813 4.211 5.142 0.142 20 0 "[ . 1 . 2]" 1 518 1 33 ASN HD21 1 37 PRO HB2 0.000 . 5.000 3.410 2.898 3.765 . 0 0 "[ . 1 . 2]" 1 519 1 33 ASN HD21 1 37 PRO HB3 0.000 . 5.000 1.909 1.812 2.418 0.188 4 0 "[ . 1 . 2]" 1 520 1 33 ASN HD21 1 39 HIS HE2 0.000 . 5.000 4.972 4.815 5.078 0.078 18 0 "[ . 1 . 2]" 1 521 1 33 ASN HD21 1 65 LEU QB 0.000 . 6.000 3.540 2.448 5.081 . 0 0 "[ . 1 . 2]" 1 522 1 33 ASN HD21 1 67 SER H 0.000 . 5.000 4.685 4.162 5.013 0.013 20 0 "[ . 1 . 2]" 1 523 1 33 ASN HD22 1 67 SER H 0.000 . 5.000 4.704 3.412 5.042 0.042 1 0 "[ . 1 . 2]" 1 524 1 34 ASN H 1 34 ASN HB2 0.000 . 3.400 2.949 2.561 3.372 . 0 0 "[ . 1 . 2]" 1 525 1 34 ASN H 1 34 ASN HB3 0.000 . 3.100 2.683 2.417 3.006 . 0 0 "[ . 1 . 2]" 1 526 1 34 ASN H 1 35 LYS H 0.000 . 5.000 3.008 1.806 4.272 0.194 18 0 "[ . 1 . 2]" 1 527 1 34 ASN H 1 39 HIS HE2 0.000 . 5.000 3.497 2.887 4.028 . 0 0 "[ . 1 . 2]" 1 528 1 34 ASN HA 1 34 ASN HB2 0.000 . 3.100 2.503 2.409 2.672 . 0 0 "[ . 1 . 2]" 1 529 1 34 ASN HA 1 35 LYS H 0.000 . 5.000 3.473 2.938 3.590 . 0 0 "[ . 1 . 2]" 1 530 1 34 ASN HA 1 69 GLY H 0.000 . 5.000 4.824 4.302 5.043 0.043 14 0 "[ . 1 . 2]" 1 531 1 34 ASN HB2 1 34 ASN HD21 0.000 . 5.000 3.108 2.717 3.571 . 0 0 "[ . 1 . 2]" 1 532 1 34 ASN HB2 1 35 LYS H 0.000 . 5.000 3.465 3.293 3.905 . 0 0 "[ . 1 . 2]" 1 533 1 34 ASN HB3 1 34 ASN HD21 0.000 . 5.000 2.370 2.248 2.587 . 0 0 "[ . 1 . 2]" 1 534 1 34 ASN HB3 1 34 ASN HD22 0.000 . 3.560 3.556 3.511 3.633 0.073 3 0 "[ . 1 . 2]" 1 535 1 34 ASN HB3 1 35 LYS H 0.000 . 3.560 1.990 1.840 2.655 0.160 10 0 "[ . 1 . 2]" 1 536 1 34 ASN HD21 1 35 LYS H 0.000 . 5.000 3.165 2.038 3.965 . 0 0 "[ . 1 . 2]" 1 537 1 34 ASN HD22 1 35 LYS H 0.000 . 5.000 4.073 2.970 4.995 . 0 0 "[ . 1 . 2]" 1 538 1 35 LYS H 1 39 HIS HE2 0.000 . 5.000 4.273 3.372 5.024 0.024 14 0 "[ . 1 . 2]" 1 539 1 35 LYS HA 1 35 LYS QB 0.000 . 3.560 2.389 2.181 2.529 . 0 0 "[ . 1 . 2]" 1 540 1 35 LYS HA 1 35 LYS QG 0.000 . 5.600 2.546 1.949 3.329 0.051 15 0 "[ . 1 . 2]" 1 541 1 35 LYS HA 1 36 VAL H 0.000 . 2.850 2.911 2.869 3.010 0.160 18 0 "[ . 1 . 2]" 1 542 1 35 LYS QB 1 36 VAL H 0.000 . 5.800 3.602 1.845 4.055 0.155 20 0 "[ . 1 . 2]" 1 543 1 36 VAL H 1 36 VAL HB 0.000 . 5.000 2.983 2.352 3.388 . 0 0 "[ . 1 . 2]" 1 544 1 36 VAL H 1 36 VAL MG1 0.000 . 6.500 3.972 3.730 4.049 . 0 0 "[ . 1 . 2]" 1 545 1 36 VAL H 1 36 VAL MG2 0.000 . 6.500 2.692 2.297 3.057 . 0 0 "[ . 1 . 2]" 1 546 1 36 VAL H 1 37 PRO QD 0.000 . 4.560 2.490 2.016 4.031 . 0 0 "[ . 1 . 2]" 1 547 1 36 VAL H 1 39 HIS HE2 0.000 . 5.000 2.986 2.580 3.847 . 0 0 "[ . 1 . 2]" 1 548 1 36 VAL HA 1 36 VAL MG1 0.000 . 6.700 2.217 1.981 2.500 0.019 4 0 "[ . 1 . 2]" 1 549 1 36 VAL HA 1 36 VAL MG2 0.000 . 6.700 2.484 2.149 2.803 . 0 0 "[ . 1 . 2]" 1 550 1 36 VAL HA 1 37 PRO QD 0.000 . 6.000 2.162 1.851 2.313 0.149 15 0 "[ . 1 . 2]" 1 551 1 36 VAL HA 1 39 HIS HE2 0.000 . 5.000 4.309 4.097 4.885 . 0 0 "[ . 1 . 2]" 1 552 1 36 VAL HB 1 36 VAL MG1 0.000 . 5.500 2.132 2.109 2.150 . 0 0 "[ . 1 . 2]" 1 553 1 36 VAL HB 1 36 VAL MG2 0.000 . 5.500 2.146 2.111 2.156 . 0 0 "[ . 1 . 2]" 1 554 1 36 VAL HB 1 39 HIS HE1 0.000 . 5.000 3.816 3.308 5.030 0.030 18 0 "[ . 1 . 2]" 1 555 1 36 VAL HB 1 39 HIS HE2 0.000 . 5.000 3.058 2.611 4.462 . 0 0 "[ . 1 . 2]" 1 556 1 36 VAL MG1 1 39 HIS HE1 0.000 . 6.500 4.590 3.580 5.325 . 0 0 "[ . 1 . 2]" 1 557 1 36 VAL MG1 1 39 HIS HE2 0.000 . 6.500 4.040 3.569 4.489 . 0 0 "[ . 1 . 2]" 1 558 1 37 PRO HA 1 37 PRO HB3 0.000 . 3.100 2.308 2.302 2.318 . 0 0 "[ . 1 . 2]" 1 559 1 37 PRO HB2 1 37 PRO QD 0.000 . 5.000 3.560 3.544 3.566 . 0 0 "[ . 1 . 2]" 1 560 1 37 PRO HB2 1 39 HIS H 0.000 . 5.000 4.282 4.011 4.757 . 0 0 "[ . 1 . 2]" 1 561 1 37 PRO HB2 1 66 MET HA 0.000 . 5.000 3.436 2.427 4.918 . 0 0 "[ . 1 . 2]" 1 562 1 37 PRO HB3 1 39 HIS H 0.000 . 5.000 4.137 3.716 4.952 . 0 0 "[ . 1 . 2]" 1 563 1 37 PRO HB3 1 39 HIS HE2 0.000 . 5.000 4.320 4.150 4.679 . 0 0 "[ . 1 . 2]" 1 564 1 37 PRO QD 1 37 PRO QG 0.000 . 5.000 1.966 1.963 1.969 0.037 18 0 "[ . 1 . 2]" 1 565 1 37 PRO QD 1 39 HIS HE2 0.000 . 6.000 3.965 3.710 4.355 . 0 0 "[ . 1 . 2]" 1 566 1 38 PRO HA 1 38 PRO HB3 0.000 . 3.100 2.316 2.311 2.321 . 0 0 "[ . 1 . 2]" 1 567 1 38 PRO HA 1 39 HIS H 0.000 . 3.560 2.516 2.345 2.892 . 0 0 "[ . 1 . 2]" 1 568 1 38 PRO HA 1 39 HIS HE2 0.000 . 5.000 5.113 5.045 5.155 0.155 12 0 "[ . 1 . 2]" 1 569 1 38 PRO HB2 1 39 HIS H 0.000 . 2.850 2.572 1.833 2.912 0.167 4 0 "[ . 1 . 2]" 1 570 1 38 PRO HB3 1 38 PRO QD 0.000 . 3.560 3.240 3.213 3.257 . 0 0 "[ . 1 . 2]" 1 571 1 38 PRO HB3 1 64 LEU MD2 0.000 . 6.500 3.794 2.778 5.477 . 0 0 "[ . 1 . 2]" 1 572 1 38 PRO HB3 1 66 MET HA 0.000 . 5.000 3.550 2.375 4.833 . 0 0 "[ . 1 . 2]" 1 573 1 39 HIS H 1 39 HIS HB2 0.000 . 3.100 2.656 2.534 2.970 . 0 0 "[ . 1 . 2]" 1 574 1 39 HIS H 1 39 HIS HB3 0.000 . 4.000 3.804 3.737 3.972 . 0 0 "[ . 1 . 2]" 1 575 1 39 HIS H 1 40 ASN H 0.000 . 5.001 4.397 4.068 4.520 . 0 0 "[ . 1 . 2]" 1 576 1 39 HIS H 1 65 LEU H 0.000 . 5.000 2.668 1.977 3.109 0.023 11 0 "[ . 1 . 2]" 1 577 1 39 HIS HA 1 39 HIS HB3 0.000 . 3.100 2.534 2.508 2.568 . 0 0 "[ . 1 . 2]" 1 578 1 39 HIS HA 1 40 ASN H 0.000 . 3.560 2.257 2.175 2.387 . 0 0 "[ . 1 . 2]" 1 579 1 39 HIS HA 1 65 LEU H 0.000 . 5.000 4.964 4.588 5.068 0.068 19 0 "[ . 1 . 2]" 1 580 1 39 HIS HB2 1 40 ASN H 0.000 . 5.000 4.101 3.745 4.370 . 0 0 "[ . 1 . 2]" 1 581 1 39 HIS HB2 1 65 LEU MD1 0.000 . 6.500 3.072 1.738 4.061 0.262 19 0 "[ . 1 . 2]" 1 582 1 39 HIS HB3 1 40 ASN H 0.000 . 3.560 3.037 2.556 3.541 . 0 0 "[ . 1 . 2]" 1 583 1 39 HIS HE2 1 92 HIS HD2 0.000 . 5.000 5.111 5.072 5.150 0.150 9 0 "[ . 1 . 2]" 1 584 1 39 HIS HE2 1 92 HIS HE1 0.000 . 5.000 3.644 2.777 4.698 . 0 0 "[ . 1 . 2]" 1 585 1 39 HIS HE2 1 97 MET ME 0.000 . 6.000 4.803 4.655 4.931 . 0 0 "[ . 1 . 2]" 1 586 1 40 ASN H 1 40 ASN QB 0.000 . 5.600 2.462 2.217 2.756 . 0 0 "[ . 1 . 2]" 1 587 1 40 ASN H 1 42 VAL MG2 0.000 . 6.500 5.241 5.003 5.404 . 0 0 "[ . 1 . 2]" 1 588 1 40 ASN H 1 65 LEU MD1 0.000 . 6.500 4.632 3.255 5.164 . 0 0 "[ . 1 . 2]" 1 589 1 40 ASN H 1 89 CYS HA 0.000 . 5.000 3.423 2.930 3.739 . 0 0 "[ . 1 . 2]" 1 590 1 40 ASN H 1 89 CYS QB 0.000 . 6.000 3.910 2.445 4.231 . 0 0 "[ . 1 . 2]" 1 591 1 40 ASN H 1 91 PRO QG 0.000 . 6.000 3.029 2.549 3.668 . 0 0 "[ . 1 . 2]" 1 592 1 40 ASN HA 1 40 ASN QB 0.000 . 5.000 2.458 2.314 2.550 . 0 0 "[ . 1 . 2]" 1 593 1 40 ASN HA 1 41 VAL H 0.000 . 5.000 2.225 2.182 2.461 . 0 0 "[ . 1 . 2]" 1 594 1 40 ASN HA 1 41 VAL MG2 0.000 . 6.500 4.050 3.533 4.782 . 0 0 "[ . 1 . 2]" 1 595 1 40 ASN HA 1 65 LEU MD1 0.000 . 6.500 3.383 2.130 5.072 . 0 0 "[ . 1 . 2]" 1 596 1 40 ASN HA 1 65 LEU MD2 0.000 . 6.500 4.129 2.757 5.180 . 0 0 "[ . 1 . 2]" 1 597 1 40 ASN QB 1 40 ASN QD 0.000 . 5.760 2.432 2.183 2.767 . 0 0 "[ . 1 . 2]" 1 598 1 40 ASN QB 1 41 VAL H 0.000 . 4.560 3.620 2.934 3.947 . 0 0 "[ . 1 . 2]" 1 599 1 40 ASN QD 1 62 LYS HA 0.000 . 4.560 3.311 1.959 4.129 0.041 19 0 "[ . 1 . 2]" 1 600 1 40 ASN QD 1 90 GLU H 0.000 . 7.001 4.688 3.231 5.407 . 0 0 "[ . 1 . 2]" 1 601 1 41 VAL H 1 41 VAL HB 0.000 . 5.000 2.419 2.253 2.677 . 0 0 "[ . 1 . 2]" 1 602 1 41 VAL H 1 41 VAL MG1 0.000 . 5.060 3.711 3.270 3.843 . 0 0 "[ . 1 . 2]" 1 603 1 41 VAL H 1 41 VAL MG2 0.000 . 5.060 2.956 2.441 3.483 . 0 0 "[ . 1 . 2]" 1 604 1 41 VAL H 1 42 VAL MG2 0.000 . 6.500 3.586 3.126 4.185 . 0 0 "[ . 1 . 2]" 1 605 1 41 VAL HA 1 41 VAL MG1 0.000 . 4.760 2.489 2.344 2.911 . 0 0 "[ . 1 . 2]" 1 606 1 41 VAL HA 1 41 VAL MG2 0.000 . 4.760 2.178 1.888 2.409 0.112 7 0 "[ . 1 . 2]" 1 607 1 41 VAL HA 1 42 VAL H 0.000 . 3.560 2.199 2.173 2.235 . 0 0 "[ . 1 . 2]" 1 608 1 41 VAL HA 1 88 TYR QD 0.000 . 7.000 5.785 5.472 5.999 . 0 0 "[ . 1 . 2]" 1 609 1 41 VAL HA 1 88 TYR QE 0.000 . 7.000 6.412 6.143 6.548 . 0 0 "[ . 1 . 2]" 1 610 1 41 VAL HB 1 41 VAL MG1 0.000 . 4.060 2.133 2.107 2.151 . 0 0 "[ . 1 . 2]" 1 611 1 41 VAL HB 1 41 VAL MG2 0.000 . 4.060 2.125 2.106 2.153 . 0 0 "[ . 1 . 2]" 1 612 1 41 VAL HB 1 61 HIS H 0.000 . 5.000 4.165 3.073 4.764 . 0 0 "[ . 1 . 2]" 1 613 1 41 VAL MG1 1 42 VAL H 0.000 . 6.500 2.743 2.404 3.063 . 0 0 "[ . 1 . 2]" 1 614 1 41 VAL MG1 1 42 VAL HA 0.000 . 6.500 3.345 3.176 3.620 . 0 0 "[ . 1 . 2]" 1 615 1 41 VAL MG1 1 43 PHE HZ 0.000 . 6.500 3.322 2.419 4.325 . 0 0 "[ . 1 . 2]" 1 616 1 41 VAL MG1 1 60 SER HA 0.000 . 6.500 3.489 2.679 4.200 . 0 0 "[ . 1 . 2]" 1 617 1 41 VAL MG1 1 60 SER QB 0.000 . 7.500 4.105 3.306 4.839 . 0 0 "[ . 1 . 2]" 1 618 1 41 VAL MG1 1 61 HIS H 0.000 . 6.500 3.812 2.961 4.691 . 0 0 "[ . 1 . 2]" 1 619 1 41 VAL MG1 1 61 HIS HB3 . . 6.500 5.155 4.529 5.354 . 0 0 "[ . 1 . 2]" 1 620 1 41 VAL MG1 1 61 HIS HD2 0.000 . 6.500 3.365 2.839 3.827 . 0 0 "[ . 1 . 2]" 1 621 1 41 VAL MG1 1 65 LEU MD2 0.000 . 8.000 5.260 4.576 5.491 . 0 0 "[ . 1 . 2]" 1 622 1 41 VAL MG1 1 72 THR HG1 0.000 . 8.000 4.067 2.646 5.174 . 0 0 "[ . 1 . 2]" 1 623 1 41 VAL MG1 1 87 PHE HA 0.000 . 6.500 4.940 4.492 5.254 . 0 0 "[ . 1 . 2]" 1 624 1 41 VAL MG1 1 87 PHE HB3 0.000 . 6.500 3.483 3.136 3.929 . 0 0 "[ . 1 . 2]" 1 625 1 41 VAL MG1 1 87 PHE QD 0.000 . 8.500 3.898 3.200 4.379 . 0 0 "[ . 1 . 2]" 1 626 1 41 VAL MG1 1 87 PHE QE 0.000 . 8.500 5.105 4.408 5.644 . 0 0 "[ . 1 . 2]" 1 627 1 41 VAL MG2 1 42 VAL H 0.000 . 6.500 3.896 3.165 4.218 . 0 0 "[ . 1 . 2]" 1 628 1 41 VAL MG2 1 65 LEU MD2 0.000 . 8.000 3.607 2.675 4.720 . 0 0 "[ . 1 . 2]" 1 629 1 41 VAL MG2 1 72 THR HG1 0.000 . 8.000 4.308 2.346 5.228 . 0 0 "[ . 1 . 2]" 1 630 1 41 VAL MG2 1 88 TYR H 0.000 . 6.500 5.121 4.243 5.338 . 0 0 "[ . 1 . 2]" 1 631 1 42 VAL H 1 42 VAL HB 0.000 . 5.000 3.379 2.862 3.856 . 0 0 "[ . 1 . 2]" 1 632 1 42 VAL H 1 42 VAL MG2 0.000 . 6.500 2.424 2.119 2.765 . 0 0 "[ . 1 . 2]" 1 633 1 42 VAL H 1 43 PHE QE 0.000 . 7.001 5.255 4.399 5.868 . 0 0 "[ . 1 . 2]" 1 634 1 42 VAL H 1 87 PHE QD 0.000 . 7.001 4.945 4.665 5.367 . 0 0 "[ . 1 . 2]" 1 635 1 42 VAL H 1 88 TYR H 0.000 . 3.560 2.783 2.476 3.194 . 0 0 "[ . 1 . 2]" 1 636 1 42 VAL H 1 88 TYR QD 0.000 . 7.001 4.524 4.071 4.999 . 0 0 "[ . 1 . 2]" 1 637 1 42 VAL H 1 88 TYR QE 0.000 . 7.001 4.906 4.567 5.356 . 0 0 "[ . 1 . 2]" 1 638 1 42 VAL HA 1 42 VAL MG1 0.000 . 4.050 2.102 1.931 2.281 0.069 1 0 "[ . 1 . 2]" 1 639 1 42 VAL HA 1 42 VAL MG2 0.000 . 4.050 2.819 2.494 3.151 . 0 0 "[ . 1 . 2]" 1 640 1 42 VAL HA 1 43 PHE H 0.000 . 2.850 2.458 2.192 2.592 . 0 0 "[ . 1 . 2]" 1 641 1 42 VAL HA 1 43 PHE QD 0.000 . 7.000 3.073 2.475 3.907 . 0 0 "[ . 1 . 2]" 1 642 1 42 VAL HA 1 43 PHE HZ 0.000 . 5.000 5.036 4.825 5.158 0.158 14 0 "[ . 1 . 2]" 1 643 1 42 VAL HA 1 61 HIS H 0.000 . 5.000 3.911 3.232 4.714 . 0 0 "[ . 1 . 2]" 1 644 1 42 VAL HB 1 42 VAL MG1 0.000 . 3.350 2.124 2.106 2.149 . 0 0 "[ . 1 . 2]" 1 645 1 42 VAL HB 1 42 VAL MG2 0.000 . 3.350 2.144 2.113 2.156 . 0 0 "[ . 1 . 2]" 1 646 1 42 VAL HB 1 43 PHE H 0.000 . 5.000 2.938 2.293 3.768 . 0 0 "[ . 1 . 2]" 1 647 1 42 VAL HB 1 88 TYR QE 0.000 . 7.000 3.454 2.498 4.830 . 0 0 "[ . 1 . 2]" 1 648 1 42 VAL QG 1 43 PHE H 0.000 . 7.900 2.381 1.790 3.263 0.210 7 0 "[ . 1 . 2]" 1 649 1 42 VAL MG2 1 61 HIS H 0.000 . 6.500 4.380 3.390 5.375 . 0 0 "[ . 1 . 2]" 1 650 1 42 VAL MG2 1 62 LYS HA 0.000 . 6.500 4.813 3.669 5.342 . 0 0 "[ . 1 . 2]" 1 651 1 42 VAL MG2 1 90 GLU H 0.000 . 6.500 4.178 3.565 4.721 . 0 0 "[ . 1 . 2]" 1 652 1 42 VAL MG2 1 90 GLU HB2 0.000 . 6.500 4.002 2.852 4.806 . 0 0 "[ . 1 . 2]" 1 653 1 42 VAL MG2 1 90 GLU HB3 0.000 . 6.500 4.956 4.109 5.463 . 0 0 "[ . 1 . 2]" 1 654 1 43 PHE H 1 43 PHE HB2 0.000 . 3.100 2.809 2.700 2.953 . 0 0 "[ . 1 . 2]" 1 655 1 43 PHE H 1 43 PHE HB3 0.000 . 4.000 3.802 3.634 3.925 . 0 0 "[ . 1 . 2]" 1 656 1 43 PHE H 1 43 PHE QD 0.000 . 7.000 2.114 1.852 2.568 0.148 20 0 "[ . 1 . 2]" 1 657 1 43 PHE H 1 43 PHE QE 0.000 . 6.000 4.046 3.775 4.418 . 0 0 "[ . 1 . 2]" 1 658 1 43 PHE H 1 60 SER HA 0.000 . 5.000 4.428 3.661 5.092 0.092 14 0 "[ . 1 . 2]" 1 659 1 43 PHE H 1 60 SER QB 0.000 . 6.000 2.670 1.898 3.631 0.102 6 0 "[ . 1 . 2]" 1 660 1 43 PHE H 1 60 SER HG 0.000 . 4.560 2.886 2.343 3.547 . 0 0 "[ . 1 . 2]" 1 661 1 43 PHE HA 1 43 PHE HB3 0.000 . 3.100 2.371 2.341 2.407 . 0 0 "[ . 1 . 2]" 1 662 1 43 PHE HA 1 43 PHE QD 0.000 . 3.850 3.100 2.778 3.321 . 0 0 "[ . 1 . 2]" 1 663 1 43 PHE HA 1 44 ASP H 0.000 . 2.850 2.200 2.171 2.247 . 0 0 "[ . 1 . 2]" 1 664 1 43 PHE HA 1 87 PHE HA 0.000 . 3.560 2.295 1.858 2.899 0.142 18 0 "[ . 1 . 2]" 1 665 1 43 PHE HA 1 87 PHE HB3 0.000 . 5.000 2.972 2.543 3.476 . 0 0 "[ . 1 . 2]" 1 666 1 43 PHE HA 1 87 PHE QD 0.000 . 7.000 4.173 3.618 4.665 . 0 0 "[ . 1 . 2]" 1 667 1 43 PHE HA 1 88 TYR H 0.000 . 5.001 4.142 3.701 4.651 . 0 0 "[ . 1 . 2]" 1 668 1 43 PHE HA 1 88 TYR QD 0.000 . 7.000 3.971 3.384 4.745 . 0 0 "[ . 1 . 2]" 1 669 1 43 PHE QB 1 59 LEU QB 0.000 . 5.560 3.733 3.390 4.119 . 0 0 "[ . 1 . 2]" 1 670 1 43 PHE QB 1 59 LEU MD1 0.000 . 7.500 5.440 4.956 5.656 . 0 0 "[ . 1 . 2]" 1 671 1 43 PHE HB2 1 43 PHE QD 0.000 . 3.560 2.477 2.307 2.619 . 0 0 "[ . 1 . 2]" 1 672 1 43 PHE HB2 1 44 ASP H 0.000 . 5.000 4.180 3.882 4.389 . 0 0 "[ . 1 . 2]" 1 673 1 43 PHE HB2 1 60 SER H 0.000 . 5.000 5.054 4.894 5.148 0.148 15 0 "[ . 1 . 2]" 1 674 1 43 PHE HB2 1 76 PHE QE 0.000 . 7.000 6.233 5.782 6.579 . 0 0 "[ . 1 . 2]" 1 675 1 43 PHE HB3 1 43 PHE QD 0.000 . 3.560 2.368 2.300 2.498 . 0 0 "[ . 1 . 2]" 1 676 1 43 PHE HB3 1 44 ASP H 0.000 . 5.000 3.627 3.267 4.010 . 0 0 "[ . 1 . 2]" 1 677 1 43 PHE HB3 1 60 SER HG 0.000 . 6.000 5.639 4.969 6.040 0.040 5 0 "[ . 1 . 2]" 1 678 1 43 PHE QD 1 55 LEU MD1 0.000 . 8.500 4.446 3.576 5.487 . 0 0 "[ . 1 . 2]" 1 679 1 43 PHE QD 1 55 LEU HG 0.000 . 7.000 6.144 5.336 6.546 . 0 0 "[ . 1 . 2]" 1 680 1 43 PHE QD 1 59 LEU HB2 . . 7.000 4.187 3.600 4.725 . 0 0 "[ . 1 . 2]" 1 681 1 43 PHE QD 1 59 LEU MD1 0.000 . 8.500 4.686 3.893 4.999 . 0 0 "[ . 1 . 2]" 1 682 1 43 PHE QD 1 59 LEU MD2 0.000 . 8.500 2.968 2.548 4.554 . 0 0 "[ . 1 . 2]" 1 683 1 43 PHE QD 1 60 SER HA 0.000 . 5.560 3.490 2.739 4.667 . 0 0 "[ . 1 . 2]" 1 684 1 43 PHE QD 1 60 SER QB 0.000 . 8.000 2.681 1.863 3.527 0.137 2 0 "[ . 1 . 2]" 1 685 1 43 PHE QD 1 60 SER HG 0.000 . 8.000 2.597 1.844 3.678 0.156 4 0 "[ . 1 . 2]" 1 686 1 43 PHE QD 1 61 HIS H 0.000 . 7.000 5.464 4.801 6.200 . 0 0 "[ . 1 . 2]" 1 687 1 43 PHE QD 1 76 PHE QD 0.000 . 9.000 6.047 5.640 6.406 . 0 0 "[ . 1 . 2]" 1 688 1 43 PHE QD 1 76 PHE QE 0.000 . 9.000 4.208 3.803 4.771 . 0 0 "[ . 1 . 2]" 1 689 1 43 PHE QD 1 85 TYR HA 0.000 . 7.000 5.150 4.304 5.901 . 0 0 "[ . 1 . 2]" 1 690 1 43 PHE QD 1 85 TYR HB3 0.000 . 5.560 3.086 2.321 3.836 . 0 0 "[ . 1 . 2]" 1 691 1 43 PHE QD 1 87 PHE HA 0.000 . 7.000 4.033 3.131 4.712 . 0 0 "[ . 1 . 2]" 1 692 1 43 PHE QD 1 87 PHE HB2 0.000 . 7.000 4.468 3.711 4.976 . 0 0 "[ . 1 . 2]" 1 693 1 43 PHE QD 1 87 PHE HB3 0.000 . 7.000 2.854 1.973 3.462 0.027 15 0 "[ . 1 . 2]" 1 694 1 43 PHE QE 1 59 LEU HB2 0.000 . 7.000 4.004 3.303 4.389 . 0 0 "[ . 1 . 2]" 1 695 1 43 PHE QE 1 76 PHE QE 0.000 . 9.000 3.195 2.840 3.438 . 0 0 "[ . 1 . 2]" 1 696 1 43 PHE QE 1 85 TYR HB3 0.000 . 7.000 4.697 3.885 5.235 . 0 0 "[ . 1 . 2]" 1 697 1 43 PHE QE 1 87 PHE QD 0.000 . 7.560 2.991 2.366 3.665 . 0 0 "[ . 1 . 2]" 1 698 1 43 PHE QE 1 101 ILE MG 0.000 . 8.500 5.083 4.527 5.614 . 0 0 "[ . 1 . 2]" 1 699 1 43 PHE HZ 1 59 LEU HB2 0.000 . 5.000 5.112 5.025 5.209 0.209 15 0 "[ . 1 . 2]" 1 700 1 43 PHE HZ 1 59 LEU MD1 0.000 . 6.500 3.662 1.894 4.198 0.106 10 0 "[ . 1 . 2]" 1 701 1 43 PHE HZ 1 59 LEU MD2 0.000 . 6.500 3.040 2.483 4.289 . 0 0 "[ . 1 . 2]" 1 702 1 43 PHE HZ 1 101 ILE MD 0.000 . 6.500 4.992 4.618 5.271 . 0 0 "[ . 1 . 2]" 1 703 1 44 ASP H 1 44 ASP HB2 0.000 . 3.400 2.299 2.194 2.496 . 0 0 "[ . 1 . 2]" 1 704 1 44 ASP H 1 44 ASP HB3 0.000 . 3.100 2.873 2.637 3.013 . 0 0 "[ . 1 . 2]" 1 705 1 44 ASP H 1 87 PHE HA 0.000 . 3.560 3.105 2.624 3.475 . 0 0 "[ . 1 . 2]" 1 706 1 44 ASP H 1 88 TYR H 0.000 . 5.000 4.734 4.135 5.018 0.018 12 0 "[ . 1 . 2]" 1 707 1 44 ASP H 1 88 TYR QE 0.000 . 7.000 3.139 2.331 3.773 . 0 0 "[ . 1 . 2]" 1 708 1 44 ASP HA 1 44 ASP HB3 0.000 . 3.100 3.012 2.986 3.035 . 0 0 "[ . 1 . 2]" 1 709 1 44 ASP HA 1 45 ALA H 0.000 . 2.850 2.314 2.185 2.769 . 0 0 "[ . 1 . 2]" 1 710 1 44 ASP HA 1 88 TYR QD 0.000 . 7.000 4.840 4.031 5.506 . 0 0 "[ . 1 . 2]" 1 711 1 44 ASP HA 1 88 TYR QE 0.000 . 5.560 3.156 2.476 3.751 . 0 0 "[ . 1 . 2]" 1 712 1 44 ASP HB2 1 45 ALA H 0.000 . 5.000 4.202 3.645 4.527 . 0 0 "[ . 1 . 2]" 1 713 1 44 ASP HB2 1 86 THR HG1 0.000 . 6.500 3.989 2.704 4.890 . 0 0 "[ . 1 . 2]" 1 714 1 44 ASP HB3 1 47 LEU H 0.000 . 3.560 3.005 2.398 3.564 0.004 8 0 "[ . 1 . 2]" 1 715 1 44 ASP HB3 1 86 THR HG1 0.000 . 6.500 4.260 3.286 5.186 . 0 0 "[ . 1 . 2]" 1 716 1 44 ASP HB3 1 88 TYR QE 0.000 . 7.000 4.746 3.866 5.327 . 0 0 "[ . 1 . 2]" 1 717 1 45 ALA H 1 45 ALA HA 0.000 . 2.850 2.942 2.919 2.974 0.124 13 0 "[ . 1 . 2]" 1 718 1 45 ALA H 1 45 ALA MB 0.000 . 3.950 2.279 2.085 2.600 . 0 0 "[ . 1 . 2]" 1 719 1 45 ALA HA 1 45 ALA MB 0.000 . 3.950 2.129 2.106 2.150 . 0 0 "[ . 1 . 2]" 1 720 1 45 ALA HA 1 46 ALA H 0.000 . 5.000 3.180 2.778 3.430 . 0 0 "[ . 1 . 2]" 1 721 1 45 ALA HA 1 48 ASN QD 0.000 . 6.000 3.055 1.836 3.809 0.164 17 0 "[ . 1 . 2]" 1 722 1 45 ALA HA 1 53 ALA HA 0.000 . 5.000 4.375 3.130 5.025 0.025 1 0 "[ . 1 . 2]" 1 723 1 45 ALA MB 1 47 LEU QD 0.000 . 9.400 5.471 4.483 5.770 . 0 0 "[ . 1 . 2]" 1 724 1 45 ALA MB 1 53 ALA HA 0.000 . 5.060 3.418 2.682 3.968 . 0 0 "[ . 1 . 2]" 1 725 1 46 ALA H 1 46 ALA MB 0.000 . 4.050 2.417 2.252 2.626 . 0 0 "[ . 1 . 2]" 1 726 1 46 ALA H 1 47 LEU H 0.000 . 2.850 2.127 1.819 2.443 0.181 6 0 "[ . 1 . 2]" 1 727 1 46 ALA HA 1 46 ALA MB 0.000 . 3.550 2.133 2.109 2.150 . 0 0 "[ . 1 . 2]" 1 728 1 46 ALA HA 1 47 LEU H 0.000 . 5.000 3.308 3.046 3.554 . 0 0 "[ . 1 . 2]" 1 729 1 46 ALA MB 1 47 LEU H 0.000 . 4.350 3.197 2.540 3.570 . 0 0 "[ . 1 . 2]" 1 730 1 46 ALA MB 1 47 LEU HA 0.000 . 6.500 4.067 3.883 4.250 . 0 0 "[ . 1 . 2]" 1 731 1 47 LEU H 1 47 LEU QB 0.000 . 3.450 2.519 2.184 3.183 . 0 0 "[ . 1 . 2]" 1 732 1 47 LEU H 1 47 LEU QD 0.000 . 7.810 2.857 2.025 3.539 . 0 0 "[ . 1 . 2]" 1 733 1 47 LEU H 1 48 ASN H 0.000 . 5.000 3.107 2.670 3.783 . 0 0 "[ . 1 . 2]" 1 734 1 47 LEU HA 1 47 LEU QB 0.000 . 5.000 2.421 2.183 2.533 . 0 0 "[ . 1 . 2]" 1 735 1 47 LEU HA 1 47 LEU QD 0.000 . 7.200 2.499 1.765 3.338 0.235 18 0 "[ . 1 . 2]" 1 736 1 47 LEU HA 1 48 ASN H 0.000 . 2.850 2.698 2.421 2.891 0.041 4 0 "[ . 1 . 2]" 1 737 1 47 LEU QB 1 47 LEU QD 0.000 . 7.020 1.858 1.724 2.051 0.276 16 0 "[ . 1 . 2]" 1 738 1 47 LEU QB 1 48 ASN H 0.000 . 5.800 3.899 3.813 4.017 . 0 0 "[ . 1 . 2]" 1 739 1 47 LEU QB 1 86 THR HA 0.000 . 6.000 5.081 4.444 5.363 . 0 0 "[ . 1 . 2]" 1 740 1 47 LEU QB 1 86 THR HB 0.000 . 4.560 2.714 1.961 3.643 0.039 13 0 "[ . 1 . 2]" 1 741 1 47 LEU QD 1 86 THR HA 0.000 . 7.900 4.752 3.698 5.659 . 0 0 "[ . 1 . 2]" 1 742 1 47 LEU QD 1 86 THR HG1 0.000 . 9.400 2.440 1.750 3.323 0.250 1 0 "[ . 1 . 2]" 1 743 1 48 ASN H 1 48 ASN HB2 0.000 . 4.000 3.653 3.559 3.810 . 0 0 "[ . 1 . 2]" 1 744 1 48 ASN H 1 48 ASN HB3 0.000 . 3.400 3.344 3.076 3.438 0.038 1 0 "[ . 1 . 2]" 1 745 1 48 ASN H 1 48 ASN QD 0.000 . 6.000 3.343 1.949 3.830 0.051 4 0 "[ . 1 . 2]" 1 746 1 48 ASN H 1 51 LYS H 0.000 . 5.000 4.413 4.030 5.026 0.026 10 0 "[ . 1 . 2]" 1 747 1 48 ASN H 1 51 LYS HA 0.000 . 5.000 3.997 3.521 4.397 . 0 0 "[ . 1 . 2]" 1 748 1 48 ASN H 1 51 LYS QB 0.000 . 6.000 5.131 4.243 5.407 . 0 0 "[ . 1 . 2]" 1 749 1 48 ASN HA 1 48 ASN HB2 0.000 . 3.100 2.629 2.467 2.679 . 0 0 "[ . 1 . 2]" 1 750 1 48 ASN HA 1 48 ASN HB3 0.000 . 3.100 2.340 2.307 2.473 . 0 0 "[ . 1 . 2]" 1 751 1 48 ASN HA 1 49 PRO QB 0.000 . 6.000 4.569 4.538 4.611 . 0 0 "[ . 1 . 2]" 1 752 1 48 ASN HA 1 49 PRO QD 0.000 . 3.850 1.954 1.870 2.023 0.130 9 0 "[ . 1 . 2]" 1 753 1 48 ASN HB2 1 48 ASN QD 0.000 . 5.000 2.939 2.687 3.399 . 0 0 "[ . 1 . 2]" 1 754 1 48 ASN HB2 1 49 PRO QD 0.000 . 4.560 1.955 1.817 2.292 0.183 14 0 "[ . 1 . 2]" 1 755 1 48 ASN HB3 1 48 ASN QD 0.000 . 5.000 2.378 2.237 2.541 . 0 0 "[ . 1 . 2]" 1 756 1 48 ASN QD 1 50 ALA MB 0.000 . 7.500 5.095 4.258 5.437 . 0 0 "[ . 1 . 2]" 1 757 1 48 ASN QD 1 52 SER H 0.000 . 4.560 2.495 1.973 3.325 0.027 14 0 "[ . 1 . 2]" 1 758 1 49 PRO HA 1 49 PRO HB3 0.000 . 3.100 2.304 2.298 2.312 . 0 0 "[ . 1 . 2]" 1 759 1 49 PRO QB 1 83 GLY H 0.000 . 6.000 4.874 4.273 5.439 . 0 0 "[ . 1 . 2]" 1 760 1 49 PRO QB 1 83 GLY QA 0.000 . 7.000 2.788 1.839 5.324 0.161 9 0 "[ . 1 . 2]" 1 761 1 49 PRO QB 1 84 GLU H 0.000 . 6.000 3.823 2.018 5.381 . 0 0 "[ . 1 . 2]" 1 762 1 49 PRO QD 1 85 TYR HH 0.000 . 6.001 4.712 3.871 5.391 . 0 0 "[ . 1 . 2]" 1 763 1 50 ALA H 1 50 ALA MB 0.000 . 6.200 2.476 2.276 2.649 . 0 0 "[ . 1 . 2]" 1 764 1 50 ALA H 1 51 LYS H 0.000 . 3.560 2.665 2.211 3.519 . 0 0 "[ . 1 . 2]" 1 765 1 50 ALA H 1 52 SER H 0.000 . 5.000 3.855 3.118 4.905 . 0 0 "[ . 1 . 2]" 1 766 1 50 ALA HA 1 50 ALA MB 0.000 . 3.550 2.131 2.109 2.152 . 0 0 "[ . 1 . 2]" 1 767 1 50 ALA HA 1 51 LYS H 0.000 . 2.850 2.840 2.356 2.994 0.144 11 0 "[ . 1 . 2]" 1 768 1 50 ALA MB 1 51 LYS H 0.000 . 6.500 3.617 3.556 3.716 . 0 0 "[ . 1 . 2]" 1 769 1 50 ALA MB 1 52 SER HA 0.000 . 6.500 4.756 4.393 5.167 . 0 0 "[ . 1 . 2]" 1 770 1 51 LYS H 1 51 LYS HA 0.000 . 2.850 2.451 2.368 2.742 . 0 0 "[ . 1 . 2]" 1 771 1 51 LYS H 1 51 LYS QB 0.000 . 5.600 2.898 2.130 3.357 . 0 0 "[ . 1 . 2]" 1 772 1 51 LYS H 1 51 LYS QD 0.000 . 6.000 4.060 1.875 5.281 0.125 1 0 "[ . 1 . 2]" 1 773 1 51 LYS H 1 51 LYS QG 0.000 . 6.000 2.933 2.016 4.421 . 0 0 "[ . 1 . 2]" 1 774 1 51 LYS H 1 52 SER H 0.000 . 5.000 3.418 2.945 4.240 . 0 0 "[ . 1 . 2]" 1 775 1 51 LYS HA 1 51 LYS QB 0.000 . 3.560 2.255 2.173 2.509 . 0 0 "[ . 1 . 2]" 1 776 1 51 LYS HA 1 51 LYS QE 0.000 . 6.000 4.481 3.463 5.389 . 0 0 "[ . 1 . 2]" 1 777 1 51 LYS HA 1 52 SER H 0.000 . 3.560 2.630 2.261 2.957 . 0 0 "[ . 1 . 2]" 1 778 1 52 SER H 1 52 SER HB2 0.000 . 3.100 2.614 2.299 2.979 . 0 0 "[ . 1 . 2]" 1 779 1 52 SER H 1 52 SER HB3 0.000 . 4.000 3.740 3.559 3.935 . 0 0 "[ . 1 . 2]" 1 780 1 52 SER HA 1 52 SER HB3 0.000 . 3.100 2.513 2.350 2.674 . 0 0 "[ . 1 . 2]" 1 781 1 52 SER HA 1 53 ALA H 0.000 . 2.850 2.448 2.191 2.875 0.025 9 0 "[ . 1 . 2]" 1 782 1 52 SER HB2 1 55 LEU MD2 0.000 . 6.500 3.398 1.879 4.087 0.121 17 0 "[ . 1 . 2]" 1 783 1 52 SER HB3 1 55 LEU MD2 0.000 . 6.500 4.061 1.943 5.227 0.057 4 0 "[ . 1 . 2]" 1 784 1 53 ALA H 1 53 ALA MB 0.000 . 4.760 2.511 2.066 2.944 . 0 0 "[ . 1 . 2]" 1 785 1 53 ALA HA 1 53 ALA MB 0.000 . 3.550 2.127 2.108 2.151 . 0 0 "[ . 1 . 2]" 1 786 1 53 ALA HA 1 54 ASP H 0.000 . 5.000 2.967 2.262 3.578 . 0 0 "[ . 1 . 2]" 1 787 1 53 ALA HA 1 56 ALA H 0.000 . 5.001 3.813 2.876 4.911 . 0 0 "[ . 1 . 2]" 1 788 1 53 ALA HA 1 56 ALA MB 0.000 . 6.501 3.208 2.219 4.767 . 0 0 "[ . 1 . 2]" 1 789 1 53 ALA HA 1 57 LYS H 0.000 . 5.001 4.464 3.409 5.011 0.010 18 0 "[ . 1 . 2]" 1 790 1 54 ASP H 1 54 ASP HA 0.000 . 2.850 2.915 2.781 2.975 0.125 13 0 "[ . 1 . 2]" 1 791 1 54 ASP H 1 54 ASP QB 0.000 . 4.160 2.560 2.106 3.247 . 0 0 "[ . 1 . 2]" 1 792 1 54 ASP H 1 55 LEU H 0.000 . 3.560 2.377 1.918 2.843 0.082 6 0 "[ . 1 . 2]" 1 793 1 54 ASP HA 1 54 ASP QB 0.000 . 3.560 2.381 2.192 2.536 . 0 0 "[ . 1 . 2]" 1 794 1 54 ASP HA 1 55 LEU H 0.000 . 5.000 3.516 3.046 3.588 . 0 0 "[ . 1 . 2]" 1 795 1 54 ASP HA 1 57 LYS H 0.000 . 5.000 3.590 2.913 4.389 . 0 0 "[ . 1 . 2]" 1 796 1 54 ASP HA 1 58 SER H 0.000 . 5.001 4.764 3.523 5.045 0.044 5 0 "[ . 1 . 2]" 1 797 1 54 ASP QB 1 55 LEU H 0.000 . 5.800 2.795 1.877 3.711 0.123 13 0 "[ . 1 . 2]" 1 798 1 55 LEU H 1 55 LEU QB 0.000 . 3.450 2.388 2.235 2.588 . 0 0 "[ . 1 . 2]" 1 799 1 55 LEU H 1 55 LEU QD 0.000 . 7.810 2.978 2.473 3.741 . 0 0 "[ . 1 . 2]" 1 800 1 55 LEU H 1 55 LEU HG 0.000 . 5.000 2.862 2.357 4.749 . 0 0 "[ . 1 . 2]" 1 801 1 55 LEU H 1 56 ALA H 0.000 . 5.000 2.632 2.057 3.448 . 0 0 "[ . 1 . 2]" 1 802 1 55 LEU H 1 57 LYS H 0.000 . 5.000 4.250 3.498 4.763 . 0 0 "[ . 1 . 2]" 1 803 1 55 LEU HA 1 55 LEU QB 0.000 . 2.850 2.224 2.182 2.546 . 0 0 "[ . 1 . 2]" 1 804 1 55 LEU HA 1 55 LEU MD2 0.000 . 6.500 3.932 2.040 4.116 . 0 0 "[ . 1 . 2]" 1 805 1 55 LEU HA 1 55 LEU HG 0.000 . 5.000 3.512 3.009 3.617 . 0 0 "[ . 1 . 2]" 1 806 1 55 LEU HA 1 56 ALA H 0.000 . 5.000 3.388 2.661 3.589 . 0 0 "[ . 1 . 2]" 1 807 1 55 LEU HA 1 59 LEU MD2 0.000 . 6.500 4.928 3.553 5.301 . 0 0 "[ . 1 . 2]" 1 808 1 55 LEU QB 1 55 LEU MD1 0.000 . 4.870 2.046 1.871 2.341 0.129 13 0 "[ . 1 . 2]" 1 809 1 55 LEU QB 1 56 ALA H 0.000 . 5.800 3.582 2.285 4.022 . 0 0 "[ . 1 . 2]" 1 810 1 55 LEU MD1 1 55 LEU HG 0.000 . 3.350 2.124 2.109 2.149 . 0 0 "[ . 1 . 2]" 1 811 1 55 LEU MD1 1 56 ALA H 0.000 . 6.500 3.412 2.691 4.378 . 0 0 "[ . 1 . 2]" 1 812 1 55 LEU MD1 1 59 LEU HA 0.000 . 6.500 5.075 4.541 5.330 . 0 0 "[ . 1 . 2]" 1 813 1 55 LEU MD1 1 59 LEU HB2 0.000 . 6.500 3.031 2.476 3.415 . 0 0 "[ . 1 . 2]" 1 814 1 55 LEU MD1 1 59 LEU MD1 0.000 . 6.560 3.244 2.429 4.339 . 0 0 "[ . 1 . 2]" 1 815 1 55 LEU MD1 1 59 LEU MD2 0.000 . 8.000 2.222 1.967 2.470 0.033 18 0 "[ . 1 . 2]" 1 816 1 55 LEU MD1 1 76 PHE QD 0.000 . 8.500 3.855 3.122 4.990 . 0 0 "[ . 1 . 2]" 1 817 1 55 LEU MD1 1 76 PHE HZ 0.000 . 6.500 5.157 4.666 5.465 . 0 0 "[ . 1 . 2]" 1 818 1 55 LEU MD1 1 85 TYR HH 0.000 . 6.500 5.000 4.483 5.284 . 0 0 "[ . 1 . 2]" 1 819 1 55 LEU MD2 1 55 LEU HG 0.000 . 3.350 2.131 2.111 2.152 . 0 0 "[ . 1 . 2]" 1 820 1 55 LEU MD2 1 56 ALA H 0.000 . 6.500 3.917 3.397 5.472 . 0 0 "[ . 1 . 2]" 1 821 1 55 LEU MD2 1 59 LEU MD2 0.000 . 6.560 4.268 3.123 4.498 . 0 0 "[ . 1 . 2]" 1 822 1 55 LEU MD2 1 81 PRO QD 0.000 . 7.500 2.805 1.818 3.441 0.182 11 0 "[ . 1 . 2]" 1 823 1 55 LEU MD2 1 85 TYR QE 0.000 . 8.500 3.057 1.744 4.734 0.256 20 0 "[ . 1 . 2]" 1 824 1 55 LEU MD2 1 85 TYR HH 0.000 . 6.500 4.556 3.522 5.132 . 0 0 "[ . 1 . 2]" 1 825 1 56 ALA H 1 56 ALA MB 0.000 . 4.050 2.260 2.048 2.982 . 0 0 "[ . 1 . 2]" 1 826 1 56 ALA H 1 57 LYS H 0.000 . 5.000 2.442 1.996 2.844 0.004 5 0 "[ . 1 . 2]" 1 827 1 56 ALA HA 1 56 ALA MB 0.000 . 5.700 2.126 2.107 2.151 . 0 0 "[ . 1 . 2]" 1 828 1 56 ALA HA 1 57 LYS H 0.000 . 5.000 3.544 3.364 3.587 . 0 0 "[ . 1 . 2]" 1 829 1 56 ALA HA 1 59 LEU H 0.000 . 5.000 3.275 2.760 3.816 . 0 0 "[ . 1 . 2]" 1 830 1 56 ALA HA 1 59 LEU HB3 0.000 . 5.000 2.379 1.856 2.812 0.144 20 0 "[ . 1 . 2]" 1 831 1 56 ALA HA 1 59 LEU MD2 . . 5.060 3.039 2.506 3.832 . 0 0 "[ . 1 . 2]" 1 832 1 56 ALA MB 1 57 LYS H 0.000 . 5.060 2.614 2.264 3.214 . 0 0 "[ . 1 . 2]" 1 833 1 56 ALA MB 1 59 LEU HB2 0.000 . 5.060 4.099 3.773 4.279 . 0 0 "[ . 1 . 2]" 1 834 1 57 LYS H 1 57 LYS QB 0.000 . 4.160 2.242 2.074 2.630 . 0 0 "[ . 1 . 2]" 1 835 1 57 LYS H 1 57 LYS QG 0.000 . 6.000 3.369 1.861 4.013 0.139 15 0 "[ . 1 . 2]" 1 836 1 57 LYS H 1 58 SER H 0.000 . 5.000 2.836 2.552 3.172 . 0 0 "[ . 1 . 2]" 1 837 1 57 LYS HA 1 57 LYS QB 0.000 . 5.000 2.447 2.195 2.546 . 0 0 "[ . 1 . 2]" 1 838 1 57 LYS HA 1 57 LYS QE 0.000 . 6.000 3.807 2.145 4.791 . 0 0 "[ . 1 . 2]" 1 839 1 57 LYS HA 1 58 SER H 0.000 . 3.561 3.536 3.472 3.584 0.023 20 0 "[ . 1 . 2]" 1 840 1 57 LYS HA 1 60 SER H 0.000 . 5.001 4.443 3.777 4.918 . 0 0 "[ . 1 . 2]" 1 841 1 57 LYS QB 1 58 SER H 0.000 . 5.800 2.707 2.239 3.470 . 0 0 "[ . 1 . 2]" 1 842 1 58 SER H 1 58 SER QB 0.000 . 3.450 2.505 2.216 3.017 . 0 0 "[ . 1 . 2]" 1 843 1 58 SER H 1 59 LEU H 0.000 . 5.000 2.520 1.886 3.276 0.114 18 0 "[ . 1 . 2]" 1 844 1 58 SER HA 1 58 SER QB 0.000 . 2.850 2.346 2.166 2.544 . 0 0 "[ . 1 . 2]" 1 845 1 58 SER HA 1 59 LEU H 0.000 . 5.000 3.171 2.729 3.559 . 0 0 "[ . 1 . 2]" 1 846 1 59 LEU H 1 59 LEU HB2 0.000 . 3.400 2.612 2.189 2.912 . 0 0 "[ . 1 . 2]" 1 847 1 59 LEU H 1 59 LEU HB3 0.000 . 3.100 2.926 2.722 3.046 . 0 0 "[ . 1 . 2]" 1 848 1 59 LEU H 1 59 LEU MD1 0.000 . 6.500 3.896 3.450 4.152 . 0 0 "[ . 1 . 2]" 1 849 1 59 LEU H 1 59 LEU MD2 0.000 . 6.500 4.383 3.810 4.654 . 0 0 "[ . 1 . 2]" 1 850 1 59 LEU H 1 59 LEU HG 0.000 . 5.000 4.631 4.485 4.866 . 0 0 "[ . 1 . 2]" 1 851 1 59 LEU HA 1 59 LEU HB2 0.000 . 3.100 2.655 2.539 2.701 . 0 0 "[ . 1 . 2]" 1 852 1 59 LEU HA 1 59 LEU MD1 0.000 . 5.060 1.915 1.797 2.129 0.203 4 0 "[ . 1 . 2]" 1 853 1 59 LEU HA 1 59 LEU MD2 0.000 . 5.060 3.620 2.450 3.771 . 0 0 "[ . 1 . 2]" 1 854 1 59 LEU HB2 1 59 LEU MD1 0.000 . 4.820 2.373 2.220 3.157 . 0 0 "[ . 1 . 2]" 1 855 1 59 LEU HB2 1 59 LEU MD2 0.000 . 4.820 2.354 2.080 2.565 . 0 0 "[ . 1 . 2]" 1 856 1 59 LEU HB2 1 60 SER H 0.000 . 5.000 3.491 3.280 3.652 . 0 0 "[ . 1 . 2]" 1 857 1 59 LEU HB3 1 59 LEU MD1 0.000 . 4.110 3.136 2.683 3.200 . 0 0 "[ . 1 . 2]" 1 858 1 59 LEU HB3 1 59 LEU MD2 0.000 . 4.110 2.351 2.123 3.121 . 0 0 "[ . 1 . 2]" 1 859 1 59 LEU MD1 1 59 LEU HG 0.000 . 4.060 2.136 2.110 2.152 . 0 0 "[ . 1 . 2]" 1 860 1 59 LEU MD1 1 60 SER H 0.000 . 6.500 4.487 3.854 4.655 . 0 0 "[ . 1 . 2]" 1 861 1 59 LEU MD1 1 74 THR HA 0.000 . 6.500 4.293 3.902 4.846 . 0 0 "[ . 1 . 2]" 1 862 1 59 LEU MD1 1 75 THR HA 0.000 . 6.500 5.089 4.826 5.291 . 0 0 "[ . 1 . 2]" 1 863 1 59 LEU MD1 1 76 PHE HA 0.000 . 6.500 2.221 1.814 3.515 0.186 18 0 "[ . 1 . 2]" 1 864 1 59 LEU MD1 1 76 PHE QB 0.000 . 6.060 3.602 3.134 4.467 . 0 0 "[ . 1 . 2]" 1 865 1 59 LEU MD1 1 76 PHE QD 0.000 . 7.060 2.924 2.157 3.540 . 0 0 "[ . 1 . 2]" 1 866 1 59 LEU MD1 1 76 PHE QE 0.000 . 8.500 3.216 2.513 3.971 . 0 0 "[ . 1 . 2]" 1 867 1 59 LEU MD1 1 76 PHE HZ 0.000 . 6.500 3.915 2.793 4.703 . 0 0 "[ . 1 . 2]" 1 868 1 59 LEU MD1 1 77 PRO QD 0.000 . 7.500 2.325 1.743 4.028 0.257 15 0 "[ . 1 . 2]" 1 869 1 59 LEU MD2 1 59 LEU HG 0.000 . 4.060 2.126 2.112 2.148 . 0 0 "[ . 1 . 2]" 1 870 1 59 LEU MD2 1 76 PHE QD 0.000 . 8.500 3.066 2.278 3.730 . 0 0 "[ . 1 . 2]" 1 871 1 59 LEU MD2 1 76 PHE QE 0.000 . 8.500 2.425 2.012 2.941 . 0 0 "[ . 1 . 2]" 1 872 1 59 LEU MD2 1 76 PHE HZ 0.000 . 6.500 2.524 1.886 3.579 0.114 8 0 "[ . 1 . 2]" 1 873 1 59 LEU MD2 1 77 PRO QD 0.000 . 7.500 3.247 2.214 4.146 . 0 0 "[ . 1 . 2]" 1 874 1 60 SER H 1 60 SER QB 0.000 . 5.600 2.744 2.091 2.962 . 0 0 "[ . 1 . 2]" 1 875 1 60 SER H 1 60 SER HG 0.000 . 6.000 2.533 2.066 3.538 . 0 0 "[ . 1 . 2]" 1 876 1 60 SER H 1 61 HIS H 0.000 . 5.000 4.589 4.451 4.655 . 0 0 "[ . 1 . 2]" 1 877 1 60 SER HA 1 60 SER QB 0.000 . 5.000 2.232 2.163 2.533 . 0 0 "[ . 1 . 2]" 1 878 1 60 SER HA 1 60 SER HG 0.000 . 5.600 3.498 2.232 3.916 . 0 0 "[ . 1 . 2]" 1 879 1 60 SER HA 1 61 HIS H 0.000 . 2.850 2.329 2.185 2.725 . 0 0 "[ . 1 . 2]" 1 880 1 60 SER HA 1 61 HIS HD2 0.000 . 5.000 4.429 3.613 5.011 0.011 17 0 "[ . 1 . 2]" 1 881 1 60 SER QB 1 60 SER HG 0.000 . 5.000 2.052 2.013 2.229 . 0 0 "[ . 1 . 2]" 1 882 1 60 SER QB 1 61 HIS H 0.000 . 5.800 2.808 1.998 3.368 0.002 14 0 "[ . 1 . 2]" 1 883 1 60 SER QB 1 61 HIS HA 0.000 . 6.000 4.288 4.016 4.582 . 0 0 "[ . 1 . 2]" 1 884 1 61 HIS H 1 61 HIS HB2 0.000 . 4.000 3.728 3.582 3.849 . 0 0 "[ . 1 . 2]" 1 885 1 61 HIS H 1 61 HIS HB3 0.000 . 3.400 2.862 2.597 3.401 0.001 7 0 "[ . 1 . 2]" 1 886 1 61 HIS H 1 62 LYS H 0.000 . 5.000 4.140 2.156 4.623 . 0 0 "[ . 1 . 2]" 1 887 1 61 HIS HA 1 61 HIS HB2 0.000 . 3.100 2.436 2.328 2.666 . 0 0 "[ . 1 . 2]" 1 888 1 61 HIS HA 1 61 HIS HB3 0.000 . 3.100 2.517 2.316 2.649 . 0 0 "[ . 1 . 2]" 1 889 1 61 HIS HA 1 61 HIS HD2 0.000 . 5.000 4.722 4.438 4.955 . 0 0 "[ . 1 . 2]" 1 890 1 61 HIS HA 1 62 LYS H 0.000 . 3.560 2.610 2.199 3.492 . 0 0 "[ . 1 . 2]" 1 891 1 61 HIS HB2 1 62 LYS H 0.000 . 5.000 2.933 1.944 4.161 0.056 11 0 "[ . 1 . 2]" 1 892 1 61 HIS HD2 1 71 SER QB 0.000 . 6.000 5.029 4.629 5.254 . 0 0 "[ . 1 . 2]" 1 893 1 61 HIS HD2 1 72 THR HG1 0.000 . 6.500 2.586 1.774 3.488 0.226 13 0 "[ . 1 . 2]" 1 894 1 62 LYS H 1 62 LYS QB 0.000 . 4.160 2.602 2.105 3.441 . 0 0 "[ . 1 . 2]" 1 895 1 62 LYS H 1 63 GLN H 0.000 . 5.000 3.286 1.846 4.670 0.154 10 0 "[ . 1 . 2]" 1 896 1 62 LYS HA 1 62 LYS QB 0.000 . 2.850 2.427 2.181 2.547 . 0 0 "[ . 1 . 2]" 1 897 1 62 LYS HA 1 62 LYS QD 0.000 . 6.000 3.388 2.193 4.134 . 0 0 "[ . 1 . 2]" 1 898 1 62 LYS QB 1 63 GLN H 0.000 . 3.650 2.501 1.851 3.352 0.149 17 0 "[ . 1 . 2]" 1 899 1 62 LYS QB 1 63 GLN HA 0.000 . 4.560 3.898 3.671 4.176 . 0 0 "[ . 1 . 2]" 1 900 1 63 GLN H 1 63 GLN QB 0.000 . 3.450 2.654 2.070 3.156 . 0 0 "[ . 1 . 2]" 1 901 1 63 GLN HA 1 63 GLN QB 0.000 . 2.850 2.433 2.193 2.546 . 0 0 "[ . 1 . 2]" 1 902 1 63 GLN HA 1 63 GLN QG 0.000 . 5.600 2.396 2.006 3.320 . 0 0 "[ . 1 . 2]" 1 903 1 63 GLN HA 1 64 LEU H 0.000 . 2.850 2.358 2.189 2.954 0.104 19 0 "[ . 1 . 2]" 1 904 1 63 GLN QB 1 64 LEU H 0.000 . 5.800 3.335 2.125 4.045 . 0 0 "[ . 1 . 2]" 1 905 1 64 LEU H 1 64 LEU HB2 0.000 . 3.100 2.476 2.238 3.284 0.184 19 0 "[ . 1 . 2]" 1 906 1 64 LEU H 1 64 LEU HB3 0.000 . 4.000 3.651 3.549 4.023 0.023 19 0 "[ . 1 . 2]" 1 907 1 64 LEU H 1 64 LEU MD1 0.000 . 6.500 2.409 1.792 4.362 0.208 9 0 "[ . 1 . 2]" 1 908 1 64 LEU H 1 64 LEU MD2 0.000 . 6.500 3.738 1.785 4.559 0.215 7 0 "[ . 1 . 2]" 1 909 1 64 LEU H 1 64 LEU HG 0.000 . 3.560 3.313 2.369 3.656 0.096 7 0 "[ . 1 . 2]" 1 910 1 64 LEU HA 1 64 LEU HB3 0.000 . 3.100 2.545 2.402 2.674 . 0 0 "[ . 1 . 2]" 1 911 1 64 LEU HA 1 64 LEU MD1 0.000 . 4.050 3.145 1.847 3.548 0.153 7 0 "[ . 1 . 2]" 1 912 1 64 LEU HA 1 64 LEU MD2 0.000 . 6.200 3.206 1.785 3.648 0.215 19 0 "[ . 1 . 2]" 1 913 1 64 LEU HA 1 64 LEU HG 0.000 . 5.000 2.465 2.038 3.584 . 0 0 "[ . 1 . 2]" 1 914 1 64 LEU HA 1 65 LEU H 0.000 . 3.560 2.405 2.191 2.623 . 0 0 "[ . 1 . 2]" 1 915 1 64 LEU HB2 1 64 LEU MD2 0.000 . 6.500 2.683 1.990 3.176 0.010 7 0 "[ . 1 . 2]" 1 916 1 64 LEU HB3 1 64 LEU MD1 0.000 . 4.350 2.925 2.048 3.179 . 0 0 "[ . 1 . 2]" 1 917 1 64 LEU MD1 1 64 LEU HG 0.000 . 3.350 2.127 2.104 2.149 . 0 0 "[ . 1 . 2]" 1 918 1 65 LEU H 1 65 LEU QB 0.000 . 3.450 2.447 2.118 3.096 . 0 0 "[ . 1 . 2]" 1 919 1 65 LEU H 1 65 LEU MD1 0.000 . 6.501 2.696 1.857 3.688 0.143 5 0 "[ . 1 . 2]" 1 920 1 65 LEU H 1 65 LEU MD2 0.000 . 6.501 3.591 2.222 4.184 . 0 0 "[ . 1 . 2]" 1 921 1 65 LEU HA 1 65 LEU QB 0.000 . 5.000 2.396 2.172 2.538 . 0 0 "[ . 1 . 2]" 1 922 1 65 LEU HA 1 65 LEU MD1 0.000 . 5.060 2.904 2.021 4.063 . 0 0 "[ . 1 . 2]" 1 923 1 65 LEU HA 1 65 LEU MD2 0.000 . 6.500 3.324 2.258 3.805 . 0 0 "[ . 1 . 2]" 1 924 1 65 LEU HA 1 66 MET H 0.000 . 2.850 2.317 2.193 2.673 . 0 0 "[ . 1 . 2]" 1 925 1 65 LEU QB 1 66 MET H 0.000 . 5.800 3.297 2.013 3.881 . 0 0 "[ . 1 . 2]" 1 926 1 65 LEU MD1 1 71 SER HA 0.000 . 6.500 3.019 1.829 4.023 0.171 11 0 "[ . 1 . 2]" 1 927 1 65 LEU MD1 1 72 THR H 0.000 . 6.500 4.244 2.587 5.252 . 0 0 "[ . 1 . 2]" 1 928 1 65 LEU MD1 1 72 THR HB 0.000 . 6.500 4.690 3.811 5.306 . 0 0 "[ . 1 . 2]" 1 929 1 65 LEU MD2 1 71 SER HA 0.000 . 6.500 2.500 1.841 3.392 0.159 6 0 "[ . 1 . 2]" 1 930 1 66 MET H 1 66 MET QB 0.000 . 4.000 2.475 2.112 2.896 . 0 0 "[ . 1 . 2]" 1 931 1 66 MET H 1 66 MET QG 0.000 . 6.000 3.495 2.274 4.350 . 0 0 "[ . 1 . 2]" 1 932 1 66 MET H 1 67 SER H 0.000 . 3.560 2.141 1.856 2.588 0.144 11 0 "[ . 1 . 2]" 1 933 1 66 MET HA 1 66 MET QB 0.000 . 4.000 2.455 2.194 2.548 . 0 0 "[ . 1 . 2]" 1 934 1 66 MET HA 1 67 SER H 0.000 . 5.000 3.348 3.198 3.586 . 0 0 "[ . 1 . 2]" 1 935 1 66 MET QB 1 67 SER H 0.000 . 3.850 3.264 2.370 3.589 . 0 0 "[ . 1 . 2]" 1 936 1 67 SER H 1 67 SER HB2 0.000 . 3.400 2.755 2.487 3.156 . 0 0 "[ . 1 . 2]" 1 937 1 67 SER H 1 67 SER HB3 0.000 . 3.100 2.592 2.231 2.924 . 0 0 "[ . 1 . 2]" 1 938 1 67 SER HA 1 67 SER HB2 0.000 . 3.100 2.509 2.326 2.676 . 0 0 "[ . 1 . 2]" 1 939 1 67 SER HA 1 68 PRO QD 0.000 . 3.850 1.845 1.819 1.912 0.181 10 0 "[ . 1 . 2]" 1 940 1 67 SER HB2 1 70 GLN QG 0.000 . 6.000 4.167 2.162 5.311 . 0 0 "[ . 1 . 2]" 1 941 1 67 SER HB3 1 70 GLN QG 0.000 . 6.000 3.293 1.739 4.435 0.261 9 0 "[ . 1 . 2]" 1 942 1 68 PRO HA 1 68 PRO HB3 0.000 . 3.100 2.303 2.296 2.307 . 0 0 "[ . 1 . 2]" 1 943 1 68 PRO HA 1 69 GLY H 0.000 . 2.850 2.343 2.203 2.473 . 0 0 "[ . 1 . 2]" 1 944 1 68 PRO HA 1 70 GLN H 0.000 . 5.000 4.150 3.551 4.605 . 0 0 "[ . 1 . 2]" 1 945 1 68 PRO HB2 1 68 PRO QD 0.000 . 5.000 3.562 3.556 3.571 . 0 0 "[ . 1 . 2]" 1 946 1 68 PRO HB3 1 68 PRO QD 0.000 . 5.000 3.190 3.147 3.214 . 0 0 "[ . 1 . 2]" 1 947 1 68 PRO HB3 1 69 GLY H 0.000 . 5.000 4.456 4.145 4.599 . 0 0 "[ . 1 . 2]" 1 948 1 68 PRO QD 1 68 PRO QG 0.000 . 5.000 1.969 1.967 1.972 0.033 6 0 "[ . 1 . 2]" 1 949 1 69 GLY H 1 69 GLY QA 0.000 . 3.560 2.352 2.294 2.427 . 0 0 "[ . 1 . 2]" 1 950 1 69 GLY H 1 70 GLN H 0.000 . 5.000 2.317 1.999 2.699 0.001 15 0 "[ . 1 . 2]" 1 951 1 69 GLY QA 1 70 GLN H 0.000 . 5.500 2.789 2.644 2.934 . 0 0 "[ . 1 . 2]" 1 952 1 70 GLN H 1 70 GLN QB 0.000 . 5.600 2.829 2.111 3.483 . 0 0 "[ . 1 . 2]" 1 953 1 70 GLN H 1 70 GLN QG 0.000 . 6.000 3.565 2.040 4.253 . 0 0 "[ . 1 . 2]" 1 954 1 70 GLN HA 1 70 GLN QB 0.000 . 5.000 2.393 2.193 2.544 . 0 0 "[ . 1 . 2]" 1 955 1 70 GLN HA 1 70 GLN QG 0.000 . 5.600 2.514 1.911 3.326 0.089 2 0 "[ . 1 . 2]" 1 956 1 70 GLN HA 1 71 SER H 0.000 . 2.850 2.245 2.187 2.377 . 0 0 "[ . 1 . 2]" 1 957 1 70 GLN QB 1 71 SER H 0.000 . 5.800 3.741 2.817 3.996 . 0 0 "[ . 1 . 2]" 1 958 1 71 SER HA 1 71 SER QB . . 3.560 2.180 2.144 2.195 . 0 0 "[ . 1 . 2]" 1 959 1 71 SER HA 1 72 THR H 0.000 . 3.560 3.234 2.720 3.569 0.009 3 0 "[ . 1 . 2]" 1 960 1 71 SER HA 1 72 THR HG1 0.000 . 6.500 4.026 3.362 4.612 . 0 0 "[ . 1 . 2]" 1 961 1 71 SER QB 1 72 THR H 0.000 . 4.360 2.305 1.797 2.894 0.203 12 0 "[ . 1 . 2]" 1 962 1 72 THR H 1 72 THR HG1 0.000 . 6.500 2.579 1.918 3.657 0.082 12 0 "[ . 1 . 2]" 1 963 1 72 THR H 1 73 SER H 0.000 . 5.000 4.130 3.813 4.543 . 0 0 "[ . 1 . 2]" 1 964 1 72 THR HA 1 72 THR HG1 0.000 . 6.200 2.470 2.071 2.992 . 0 0 "[ . 1 . 2]" 1 965 1 72 THR HA 1 73 SER H 0.000 . 2.850 2.281 2.193 2.886 0.036 6 0 "[ . 1 . 2]" 1 966 1 72 THR HB 1 72 THR HG1 0.000 . 4.060 1.986 1.874 2.075 0.126 1 0 "[ . 1 . 2]" 1 967 1 72 THR HB 1 73 SER H 0.000 . 5.000 4.193 1.965 4.505 0.035 6 0 "[ . 1 . 2]" 1 968 1 72 THR HG1 1 73 SER H 0.000 . 6.500 3.003 2.050 3.965 . 0 0 "[ . 1 . 2]" 1 969 1 72 THR HG1 1 73 SER HA 0.000 . 6.500 3.938 3.493 4.267 . 0 0 "[ . 1 . 2]" 1 970 1 73 SER H 1 73 SER QB 0.000 . 5.600 2.571 2.103 3.272 . 0 0 "[ . 1 . 2]" 1 971 1 73 SER HA 1 73 SER QB 0.000 . 3.560 2.236 2.166 2.398 . 0 0 "[ . 1 . 2]" 1 972 1 73 SER HA 1 74 THR H 0.000 . 3.560 2.296 2.156 2.693 . 0 0 "[ . 1 . 2]" 1 973 1 73 SER HA 1 74 THR HA 0.000 . 5.000 4.536 4.428 4.707 . 0 0 "[ . 1 . 2]" 1 974 1 73 SER HA 1 74 THR HB 0.000 . 5.000 4.774 4.564 5.040 0.040 19 0 "[ . 1 . 2]" 1 975 1 73 SER QB 1 74 THR H 0.000 . 5.800 3.683 2.056 4.068 . 0 0 "[ . 1 . 2]" 1 976 1 74 THR H 1 74 THR HB 0.000 . 3.560 2.655 2.379 3.075 . 0 0 "[ . 1 . 2]" 1 977 1 74 THR H 1 74 THR HG1 0.000 . 6.500 2.862 2.002 3.468 . 0 0 "[ . 1 . 2]" 1 978 1 74 THR H 1 75 THR H 0.000 . 5.000 4.333 3.804 4.555 . 0 0 "[ . 1 . 2]" 1 979 1 74 THR HA 1 74 THR HG1 0.000 . 6.200 2.126 2.023 2.245 . 0 0 "[ . 1 . 2]" 1 980 1 74 THR HA 1 75 THR H 0.000 . 2.850 2.214 2.179 2.252 . 0 0 "[ . 1 . 2]" 1 981 1 74 THR HB 1 74 THR HG1 0.000 . 3.350 2.026 1.868 2.081 0.132 2 0 "[ . 1 . 2]" 1 982 1 74 THR HB 1 76 PHE QE 0.000 . 7.000 3.004 2.561 3.740 . 0 0 "[ . 1 . 2]" 1 983 1 74 THR HB 1 76 PHE HZ 0.000 . 5.000 4.994 4.722 5.053 0.053 10 0 "[ . 1 . 2]" 1 984 1 74 THR HG1 1 75 THR H 0.000 . 6.500 3.015 2.536 3.259 . 0 0 "[ . 1 . 2]" 1 985 1 74 THR HG1 1 76 PHE QD 0.000 . 8.500 3.170 1.945 4.352 0.055 16 0 "[ . 1 . 2]" 1 986 1 74 THR HG1 1 76 PHE QE 0.000 . 8.500 3.183 2.325 4.229 . 0 0 "[ . 1 . 2]" 1 987 1 74 THR HG1 1 76 PHE HZ 0.000 . 6.500 4.334 3.372 5.095 . 0 0 "[ . 1 . 2]" 1 988 1 75 THR H 1 75 THR HB 0.000 . 3.560 2.770 2.377 3.570 0.010 10 0 "[ . 1 . 2]" 1 989 1 75 THR H 1 75 THR HG1 0.000 . 6.500 2.325 1.822 3.380 0.178 10 0 "[ . 1 . 2]" 1 990 1 75 THR HA 1 75 THR HG1 0.000 . 4.660 2.497 2.022 2.995 . 0 0 "[ . 1 . 2]" 1 991 1 75 THR HA 1 76 PHE H 0.000 . 2.850 2.314 2.245 2.429 . 0 0 "[ . 1 . 2]" 1 992 1 75 THR HA 1 76 PHE QD 0.000 . 7.000 3.838 3.586 4.282 . 0 0 "[ . 1 . 2]" 1 993 1 75 THR HB 1 75 THR HG1 0.000 . 4.060 1.965 1.865 2.079 0.135 11 0 "[ . 1 . 2]" 1 994 1 75 THR HB 1 76 PHE H 0.000 . 5.000 4.472 4.118 4.625 . 0 0 "[ . 1 . 2]" 1 995 1 75 THR HG1 1 76 PHE H 0.000 . 6.500 3.629 3.235 3.979 . 0 0 "[ . 1 . 2]" 1 996 1 75 THR HG1 1 77 PRO HA 0.000 . 6.500 4.499 4.050 5.240 . 0 0 "[ . 1 . 2]" 1 997 1 76 PHE H 1 76 PHE HB2 0.000 . 3.100 2.364 2.315 2.444 . 0 0 "[ . 1 . 2]" 1 998 1 76 PHE H 1 76 PHE HB3 0.000 . 4.000 3.604 3.585 3.635 . 0 0 "[ . 1 . 2]" 1 999 1 76 PHE H 1 76 PHE QD 0.000 . 5.560 1.919 1.808 2.252 0.192 15 0 "[ . 1 . 2]" 1 1000 1 76 PHE H 1 76 PHE QE 0.000 . 7.001 4.219 4.092 4.439 . 0 0 "[ . 1 . 2]" 1 1001 1 76 PHE HA 1 76 PHE HB3 0.000 . 3.100 2.638 2.603 2.680 . 0 0 "[ . 1 . 2]" 1 1002 1 76 PHE HA 1 76 PHE QD 0.000 . 6.000 2.878 2.223 3.033 . 0 0 "[ . 1 . 2]" 1 1003 1 76 PHE HA 1 77 PRO QD 0.000 . 6.000 1.918 1.833 2.043 0.167 1 0 "[ . 1 . 2]" 1 1004 1 76 PHE HA 1 77 PRO QG 0.000 . 6.000 3.908 3.807 4.030 . 0 0 "[ . 1 . 2]" 1 1005 1 76 PHE HA 1 80 ALA MB 0.000 . 6.500 4.929 4.165 5.333 . 0 0 "[ . 1 . 2]" 1 1006 1 76 PHE QB 1 103 VAL MG2 0.000 . 7.500 4.328 3.829 4.615 . 0 0 "[ . 1 . 2]" 1 1007 1 76 PHE HB2 1 76 PHE QD 0.000 . 5.000 2.613 2.468 2.790 . 0 0 "[ . 1 . 2]" 1 1008 1 76 PHE HB3 1 76 PHE QD 0.000 . 5.000 2.334 2.299 2.452 . 0 0 "[ . 1 . 2]" 1 1009 1 76 PHE QD 1 80 ALA MB 0.000 . 8.500 2.836 2.439 3.570 . 0 0 "[ . 1 . 2]" 1 1010 1 76 PHE QD 1 101 ILE MG 0.000 . 8.500 3.717 3.226 4.387 . 0 0 "[ . 1 . 2]" 1 1011 1 76 PHE QD 1 103 VAL MG1 0.000 . 8.500 4.881 4.204 5.480 . 0 0 "[ . 1 . 2]" 1 1012 1 76 PHE QD 1 103 VAL MG2 0.000 . 8.500 3.721 3.046 4.212 . 0 0 "[ . 1 . 2]" 1 1013 1 76 PHE QE 1 80 ALA MB 0.000 . 8.500 4.427 3.931 5.015 . 0 0 "[ . 1 . 2]" 1 1014 1 76 PHE QE 1 85 TYR HB3 0.000 . 7.000 4.065 3.170 4.629 . 0 0 "[ . 1 . 2]" 1 1015 1 76 PHE QE 1 101 ILE MD 0.000 . 8.500 2.291 1.839 2.620 0.161 2 0 "[ . 1 . 2]" 1 1016 1 76 PHE QE 1 101 ILE MG 0.000 . 8.500 2.908 2.145 3.530 . 0 0 "[ . 1 . 2]" 1 1017 1 76 PHE QE 1 103 VAL MG1 0.000 . 8.500 5.836 5.361 6.121 . 0 0 "[ . 1 . 2]" 1 1018 1 76 PHE QE 1 103 VAL MG2 0.000 . 8.500 4.026 3.455 4.401 . 0 0 "[ . 1 . 2]" 1 1019 1 76 PHE HZ 1 85 TYR HB2 0.000 . 5.000 4.539 4.057 5.005 0.005 11 0 "[ . 1 . 2]" 1 1020 1 76 PHE HZ 1 101 ILE MD 0.000 . 6.500 2.430 2.065 2.833 . 0 0 "[ . 1 . 2]" 1 1021 1 76 PHE HZ 1 101 ILE MG 0.000 . 6.500 3.765 3.311 4.162 . 0 0 "[ . 1 . 2]" 1 1022 1 76 PHE HZ 1 103 VAL MG2 0.000 . 6.500 5.440 5.215 5.500 . 0 0 "[ . 1 . 2]" 1 1023 1 77 PRO HA 1 77 PRO HB3 0.000 . 3.100 2.298 2.286 2.304 . 0 0 "[ . 1 . 2]" 1 1024 1 77 PRO HA 1 78 ALA H 0.000 . 3.560 2.433 2.273 2.575 . 0 0 "[ . 1 . 2]" 1 1025 1 77 PRO HA 1 79 ASP H 0.000 . 5.000 3.887 3.739 3.993 . 0 0 "[ . 1 . 2]" 1 1026 1 77 PRO HB2 1 77 PRO QD 0.000 . 5.000 3.567 3.561 3.570 . 0 0 "[ . 1 . 2]" 1 1027 1 77 PRO HB2 1 78 ALA H 0.000 . 5.000 2.703 2.350 3.076 . 0 0 "[ . 1 . 2]" 1 1028 1 77 PRO HB2 1 79 ASP H 0.000 . 3.560 2.139 2.036 2.216 . 0 0 "[ . 1 . 2]" 1 1029 1 77 PRO HB2 1 80 ALA H 0.000 . 5.000 3.465 2.762 3.774 . 0 0 "[ . 1 . 2]" 1 1030 1 77 PRO HB3 1 77 PRO QD 0.000 . 5.000 3.171 3.141 3.187 . 0 0 "[ . 1 . 2]" 1 1031 1 77 PRO HB3 1 78 ALA H 0.000 . 3.560 3.492 3.317 3.668 0.108 12 0 "[ . 1 . 2]" 1 1032 1 77 PRO HB3 1 79 ASP H 0.000 . 5.000 3.847 3.748 3.917 . 0 0 "[ . 1 . 2]" 1 1033 1 77 PRO HB3 1 80 ALA H 0.000 . 5.000 4.926 4.273 5.114 0.114 16 0 "[ . 1 . 2]" 1 1034 1 77 PRO QD 1 77 PRO QG 0.000 . 5.000 1.970 1.968 1.971 0.032 16 0 "[ . 1 . 2]" 1 1035 1 77 PRO QD 1 80 ALA MB 0.000 . 6.060 3.076 2.351 3.556 . 0 0 "[ . 1 . 2]" 1 1036 1 78 ALA H 1 78 ALA MB 0.000 . 4.050 2.184 2.074 2.300 . 0 0 "[ . 1 . 2]" 1 1037 1 78 ALA H 1 79 ASP H 0.000 . 5.000 2.638 2.555 2.715 . 0 0 "[ . 1 . 2]" 1 1038 1 78 ALA HA 1 78 ALA MB 0.000 . 5.700 2.132 2.106 2.152 . 0 0 "[ . 1 . 2]" 1 1039 1 78 ALA HA 1 79 ASP H 0.000 . 5.000 3.253 3.176 3.387 . 0 0 "[ . 1 . 2]" 1 1040 1 78 ALA MB 1 79 ASP H 0.000 . 6.500 3.349 3.080 3.450 . 0 0 "[ . 1 . 2]" 1 1041 1 79 ASP H 1 79 ASP QB 0.000 . 5.600 2.400 2.204 3.018 . 0 0 "[ . 1 . 2]" 1 1042 1 79 ASP H 1 80 ALA H 0.000 . 3.560 2.404 2.107 2.825 . 0 0 "[ . 1 . 2]" 1 1043 1 79 ASP H 1 80 ALA MB 0.000 . 6.500 3.893 3.673 4.201 . 0 0 "[ . 1 . 2]" 1 1044 1 79 ASP HA 1 79 ASP QB 0.000 . 3.560 2.428 2.182 2.537 . 0 0 "[ . 1 . 2]" 1 1045 1 79 ASP HA 1 80 ALA H 0.000 . 3.560 3.463 3.130 3.589 0.029 3 0 "[ . 1 . 2]" 1 1046 1 80 ALA H 1 80 ALA MB 0.000 . 4.760 2.451 2.078 2.905 . 0 0 "[ . 1 . 2]" 1 1047 1 80 ALA HA 1 80 ALA MB 0.000 . 3.550 2.126 2.103 2.150 . 0 0 "[ . 1 . 2]" 1 1048 1 80 ALA HA 1 81 PRO QD 0.000 . 6.000 1.943 1.848 2.281 0.152 8 0 "[ . 1 . 2]" 1 1049 1 80 ALA HA 1 85 TYR HH 0.000 . 5.001 3.372 2.799 4.060 . 0 0 "[ . 1 . 2]" 1 1050 1 80 ALA MB 1 81 PRO QD 0.000 . 7.500 3.229 2.576 3.488 . 0 0 "[ . 1 . 2]" 1 1051 1 80 ALA MB 1 85 TYR HH 0.000 . 6.500 3.369 2.542 4.086 . 0 0 "[ . 1 . 2]" 1 1052 1 80 ALA MB 1 103 VAL MG1 0.000 . 8.000 2.159 1.619 2.827 0.381 3 0 "[ . 1 . 2]" 1 1053 1 80 ALA MB 1 103 VAL MG2 0.000 . 8.000 2.488 1.824 2.876 0.176 13 0 "[ . 1 . 2]" 1 1054 1 81 PRO HA 1 81 PRO HB3 0.000 . 3.100 2.303 2.299 2.308 . 0 0 "[ . 1 . 2]" 1 1055 1 81 PRO HA 1 82 ALA H 0.000 . 2.850 2.397 2.194 2.889 0.039 9 0 "[ . 1 . 2]" 1 1056 1 81 PRO HA 1 82 ALA MB 0.000 . 6.500 4.083 3.699 4.283 . 0 0 "[ . 1 . 2]" 1 1057 1 81 PRO HB2 1 82 ALA H 0.000 . 5.000 3.188 1.891 4.335 0.109 13 0 "[ . 1 . 2]" 1 1058 1 81 PRO HB2 1 85 TYR HH 0.000 . 5.000 4.218 3.566 5.011 0.011 9 0 "[ . 1 . 2]" 1 1059 1 81 PRO HB3 1 82 ALA H 0.000 . 5.000 3.836 3.179 4.710 . 0 0 "[ . 1 . 2]" 1 1060 1 81 PRO QD 1 81 PRO QG 0.000 . 5.000 1.970 1.966 1.972 0.034 5 0 "[ . 1 . 2]" 1 1061 1 81 PRO QD 1 85 TYR HH 0.000 . 6.000 2.452 1.862 2.876 0.138 14 0 "[ . 1 . 2]" 1 1062 1 81 PRO QG 1 85 TYR HH 0.000 . 4.560 3.215 2.561 3.829 . 0 0 "[ . 1 . 2]" 1 1063 1 82 ALA H 1 82 ALA MB 0.000 . 4.050 2.267 2.044 2.969 . 0 0 "[ . 1 . 2]" 1 1064 1 82 ALA HA 1 82 ALA MB 0.000 . 4.860 2.122 2.108 2.147 . 0 0 "[ . 1 . 2]" 1 1065 1 82 ALA HA 1 83 GLY H 0.000 . 5.000 2.378 2.186 3.579 . 0 0 "[ . 1 . 2]" 1 1066 1 82 ALA HA 1 85 TYR HH 0.000 . 5.001 4.185 3.628 4.972 . 0 0 "[ . 1 . 2]" 1 1067 1 82 ALA MB 1 83 GLY H 0.000 . 6.500 3.010 1.820 3.545 0.180 4 0 "[ . 1 . 2]" 1 1068 1 82 ALA MB 1 85 TYR QE 0.000 . 8.500 5.168 3.029 5.891 . 0 0 "[ . 1 . 2]" 1 1069 1 82 ALA MB 1 85 TYR HH 0.000 . 6.500 4.845 2.452 5.483 . 0 0 "[ . 1 . 2]" 1 1070 1 82 ALA MB 1 103 VAL MG1 0.000 . 8.000 4.360 3.189 5.490 . 0 0 "[ . 1 . 2]" 1 1071 1 82 ALA MB 1 105 GLY H 0.000 . 6.500 3.872 2.100 5.426 . 0 0 "[ . 1 . 2]" 1 1072 1 83 GLY H 1 83 GLY QA 0.000 . 5.000 2.472 2.214 2.534 . 0 0 "[ . 1 . 2]" 1 1073 1 83 GLY H 1 85 TYR QE 0.000 . 7.000 3.606 2.094 5.533 . 0 0 "[ . 1 . 2]" 1 1074 1 83 GLY H 1 102 THR HA 0.000 . 5.000 4.656 4.036 5.054 0.054 9 0 "[ . 1 . 2]" 1 1075 1 83 GLY H 1 102 THR HG1 0.000 . 6.500 4.549 3.736 5.154 . 0 0 "[ . 1 . 2]" 1 1076 1 83 GLY H 1 103 VAL H 0.000 . 3.560 3.294 2.651 3.705 0.145 3 0 "[ . 1 . 2]" 1 1077 1 83 GLY H 1 103 VAL HB 0.000 . 3.560 3.308 2.876 3.569 0.009 3 0 "[ . 1 . 2]" 1 1078 1 83 GLY H 1 103 VAL MG1 0.000 . 6.500 4.502 3.437 4.957 . 0 0 "[ . 1 . 2]" 1 1079 1 83 GLY H 1 103 VAL MG2 0.000 . 6.500 4.250 3.836 4.904 . 0 0 "[ . 1 . 2]" 1 1080 1 83 GLY QA 1 84 GLU H 0.000 . 4.560 2.310 2.156 2.893 . 0 0 "[ . 1 . 2]" 1 1081 1 84 GLU H 1 84 GLU QG 0.000 . 5.600 2.879 1.829 4.356 0.171 11 0 "[ . 1 . 2]" 1 1082 1 84 GLU H 1 102 THR HG1 0.000 . 6.500 4.945 4.457 5.174 . 0 0 "[ . 1 . 2]" 1 1083 1 84 GLU HA 1 84 GLU QG 0.000 . 5.000 2.610 2.029 3.389 . 0 0 "[ . 1 . 2]" 1 1084 1 84 GLU HA 1 85 TYR H 0.000 . 3.560 2.238 2.183 2.676 . 0 0 "[ . 1 . 2]" 1 1085 1 84 GLU HA 1 102 THR HG1 0.000 . 6.500 3.377 2.706 4.673 . 0 0 "[ . 1 . 2]" 1 1086 1 84 GLU HA 1 103 VAL H 0.000 . 5.000 3.915 3.208 5.100 0.100 3 0 "[ . 1 . 2]" 1 1087 1 84 GLU QB 1 85 TYR H 0.000 . 4.560 3.411 2.701 3.941 . 0 0 "[ . 1 . 2]" 1 1088 1 84 GLU QG 1 85 TYR H 0.000 . 5.800 3.979 2.764 4.526 . 0 0 "[ . 1 . 2]" 1 1089 1 85 TYR H 1 85 TYR HB2 0.000 . 3.100 2.604 2.444 2.828 . 0 0 "[ . 1 . 2]" 1 1090 1 85 TYR H 1 85 TYR HB3 0.000 . 4.000 3.710 3.631 3.871 . 0 0 "[ . 1 . 2]" 1 1091 1 85 TYR H 1 85 TYR QD 0.000 . 7.000 2.343 1.842 3.402 0.158 17 0 "[ . 1 . 2]" 1 1092 1 85 TYR H 1 100 LYS HA 0.000 . 5.000 4.293 3.506 4.900 . 0 0 "[ . 1 . 2]" 1 1093 1 85 TYR H 1 100 LYS QD 0.000 . 6.000 5.055 4.371 5.434 . 0 0 "[ . 1 . 2]" 1 1094 1 85 TYR H 1 100 LYS QG 0.000 . 6.000 5.063 4.340 5.302 . 0 0 "[ . 1 . 2]" 1 1095 1 85 TYR H 1 101 ILE H 0.000 . 5.000 2.999 2.269 3.649 . 0 0 "[ . 1 . 2]" 1 1096 1 85 TYR H 1 101 ILE HB 0.000 . 5.000 3.879 3.210 4.542 . 0 0 "[ . 1 . 2]" 1 1097 1 85 TYR H 1 101 ILE MG 0.000 . 6.500 3.216 2.415 3.769 . 0 0 "[ . 1 . 2]" 1 1098 1 85 TYR H 1 102 THR HA 0.000 . 5.000 3.842 3.238 4.517 . 0 0 "[ . 1 . 2]" 1 1099 1 85 TYR H 1 102 THR HG1 0.000 . 6.500 4.453 3.828 5.166 . 0 0 "[ . 1 . 2]" 1 1100 1 85 TYR H 1 103 VAL MG2 0.000 . 6.500 4.562 4.025 5.066 . 0 0 "[ . 1 . 2]" 1 1101 1 85 TYR HA 1 85 TYR HB3 0.000 . 3.100 2.443 2.331 2.503 . 0 0 "[ . 1 . 2]" 1 1102 1 85 TYR HA 1 86 THR H 0.000 . 5.000 2.556 2.207 3.544 . 0 0 "[ . 1 . 2]" 1 1103 1 85 TYR HB2 1 85 TYR QD 0.000 . 5.000 2.516 2.371 2.621 . 0 0 "[ . 1 . 2]" 1 1104 1 85 TYR HB2 1 101 ILE H 0.000 . 5.000 2.299 1.904 2.790 0.096 16 0 "[ . 1 . 2]" 1 1105 1 85 TYR HB2 1 101 ILE MG 0.000 . 6.500 2.890 1.864 3.484 0.136 11 0 "[ . 1 . 2]" 1 1106 1 85 TYR HB3 1 85 TYR QD 0.000 . 5.000 2.481 2.304 2.786 . 0 0 "[ . 1 . 2]" 1 1107 1 85 TYR HB3 1 87 PHE QD 0.000 . 7.000 3.656 2.767 4.192 . 0 0 "[ . 1 . 2]" 1 1108 1 85 TYR HB3 1 87 PHE QE 0.000 . 7.000 4.424 3.690 5.474 . 0 0 "[ . 1 . 2]" 1 1109 1 85 TYR HB3 1 101 ILE H 0.000 . 5.000 3.783 3.112 4.425 . 0 0 "[ . 1 . 2]" 1 1110 1 85 TYR HB3 1 101 ILE MD 0.000 . 6.500 4.886 4.463 5.254 . 0 0 "[ . 1 . 2]" 1 1111 1 85 TYR HB3 1 101 ILE MG 0.000 . 6.500 4.037 3.027 4.643 . 0 0 "[ . 1 . 2]" 1 1112 1 85 TYR QD 1 103 VAL H 0.000 . 7.001 3.924 2.911 5.454 . 0 0 "[ . 1 . 2]" 1 1113 1 85 TYR QE 1 85 TYR HH . . 2.850 2.324 2.192 2.597 . 0 0 "[ . 1 . 2]" 1 1114 1 85 TYR QE 1 103 VAL H 0.000 . 7.000 3.427 2.391 4.985 . 0 0 "[ . 1 . 2]" 1 1115 1 85 TYR HH 1 103 VAL H 0.000 . 5.000 4.856 4.498 5.032 0.032 4 0 "[ . 1 . 2]" 1 1116 1 85 TYR HH 1 103 VAL HB 0.000 . 5.001 3.292 2.694 3.980 . 0 0 "[ . 1 . 2]" 1 1117 1 85 TYR HH 1 103 VAL MG1 0.000 . 6.500 4.004 3.141 4.747 . 0 0 "[ . 1 . 2]" 1 1118 1 85 TYR HH 1 103 VAL MG2 0.000 . 6.500 3.377 2.722 3.909 . 0 0 "[ . 1 . 2]" 1 1119 1 86 THR H 1 86 THR HB 0.000 . 3.560 2.879 2.365 3.562 0.002 9 0 "[ . 1 . 2]" 1 1120 1 86 THR H 1 86 THR HG1 0.000 . 6.500 3.242 1.938 3.709 0.062 2 0 "[ . 1 . 2]" 1 1121 1 86 THR HA 1 86 THR HG1 0.000 . 6.200 2.190 1.926 2.406 0.074 12 0 "[ . 1 . 2]" 1 1122 1 86 THR HA 1 87 PHE H 0.000 . 5.000 2.208 2.165 2.331 . 0 0 "[ . 1 . 2]" 1 1123 1 86 THR HA 1 100 LYS HA 0.000 . 3.560 2.218 1.908 2.777 0.092 11 0 "[ . 1 . 2]" 1 1124 1 86 THR HA 1 100 LYS QG 0.000 . 6.000 1.948 1.822 2.632 0.178 5 0 "[ . 1 . 2]" 1 1125 1 86 THR HA 1 101 ILE H 0.000 . 5.000 3.835 3.372 4.580 . 0 0 "[ . 1 . 2]" 1 1126 1 86 THR HB 1 86 THR HG1 0.000 . 3.560 2.001 1.879 2.083 0.121 5 0 "[ . 1 . 2]" 1 1127 1 86 THR HG1 1 87 PHE H 0.000 . 6.500 3.012 2.703 3.499 . 0 0 "[ . 1 . 2]" 1 1128 1 86 THR HG1 1 88 TYR QD 0.000 . 8.500 3.924 3.570 4.481 . 0 0 "[ . 1 . 2]" 1 1129 1 86 THR HG1 1 88 TYR QE 0.000 . 8.500 5.375 5.064 5.620 . 0 0 "[ . 1 . 2]" 1 1130 1 86 THR HG1 1 98 VAL QG 0.000 . 8.900 2.140 1.755 2.454 0.245 12 0 "[ . 1 . 2]" 1 1131 1 86 THR HG1 1 100 LYS H 0.000 . 6.500 5.017 4.546 5.150 . 0 0 "[ . 1 . 2]" 1 1132 1 86 THR HG1 1 100 LYS HA 0.000 . 6.500 3.578 2.972 3.894 . 0 0 "[ . 1 . 2]" 1 1133 1 87 PHE H 1 87 PHE HA 0.000 . 2.850 2.961 2.953 2.968 0.118 13 0 "[ . 1 . 2]" 1 1134 1 87 PHE H 1 87 PHE HB2 0.000 . 4.000 3.578 3.559 3.636 . 0 0 "[ . 1 . 2]" 1 1135 1 87 PHE H 1 87 PHE HB3 0.000 . 3.400 3.336 3.256 3.390 . 0 0 "[ . 1 . 2]" 1 1136 1 87 PHE H 1 87 PHE QD 0.000 . 5.560 2.638 2.463 2.863 . 0 0 "[ . 1 . 2]" 1 1137 1 87 PHE H 1 87 PHE QE 0.000 . 6.000 3.625 3.547 3.764 . 0 0 "[ . 1 . 2]" 1 1138 1 87 PHE H 1 99 GLY H 0.000 . 5.000 3.637 3.090 4.243 . 0 0 "[ . 1 . 2]" 1 1139 1 87 PHE H 1 100 LYS HA 0.000 . 5.000 2.912 2.414 3.191 . 0 0 "[ . 1 . 2]" 1 1140 1 87 PHE HA 1 87 PHE HB2 0.000 . 3.100 2.664 2.634 2.679 . 0 0 "[ . 1 . 2]" 1 1141 1 87 PHE HA 1 87 PHE HB3 0.000 . 3.100 2.304 2.288 2.327 . 0 0 "[ . 1 . 2]" 1 1142 1 87 PHE HA 1 87 PHE QD 0.000 . 6.000 3.547 3.449 3.639 . 0 0 "[ . 1 . 2]" 1 1143 1 87 PHE HA 1 87 PHE QE 0.000 . 5.600 5.469 5.437 5.503 . 0 0 "[ . 1 . 2]" 1 1144 1 87 PHE HA 1 88 TYR H 0.000 . 3.560 2.489 2.369 2.606 . 0 0 "[ . 1 . 2]" 1 1145 1 87 PHE HA 1 88 TYR QD 0.000 . 7.000 2.726 2.507 3.211 . 0 0 "[ . 1 . 2]" 1 1146 1 87 PHE HA 1 88 TYR QE 0.000 . 7.000 4.206 3.923 4.502 . 0 0 "[ . 1 . 2]" 1 1147 1 87 PHE HB2 1 87 PHE QD 0.000 . 7.000 2.393 2.329 2.578 . 0 0 "[ . 1 . 2]" 1 1148 1 87 PHE HB2 1 88 TYR H 0.000 . 5.000 2.510 2.209 2.785 . 0 0 "[ . 1 . 2]" 1 1149 1 87 PHE HB2 1 99 GLY H 0.000 . 5.000 4.491 4.124 4.952 . 0 0 "[ . 1 . 2]" 1 1150 1 87 PHE HB3 1 87 PHE QD 0.000 . 7.000 2.422 2.300 2.510 . 0 0 "[ . 1 . 2]" 1 1151 1 87 PHE HB3 1 88 TYR H 0.000 . 3.560 3.526 3.412 3.609 0.049 5 0 "[ . 1 . 2]" 1 1152 1 87 PHE QD 1 88 TYR H 0.000 . 7.000 3.994 3.590 4.289 . 0 0 "[ . 1 . 2]" 1 1153 1 87 PHE QD 1 99 GLY HA2 0.000 . 7.000 4.813 4.494 5.111 . 0 0 "[ . 1 . 2]" 1 1154 1 87 PHE QD 1 99 GLY HA3 0.000 . 7.000 3.481 2.963 3.862 . 0 0 "[ . 1 . 2]" 1 1155 1 87 PHE QD 1 100 LYS HA 0.000 . 7.000 3.671 3.196 4.099 . 0 0 "[ . 1 . 2]" 1 1156 1 87 PHE QD 1 101 ILE H 0.000 . 7.000 3.630 3.164 4.015 . 0 0 "[ . 1 . 2]" 1 1157 1 87 PHE QD 1 101 ILE MD 0.000 . 8.500 4.626 4.153 4.962 . 0 0 "[ . 1 . 2]" 1 1158 1 87 PHE QE 1 99 GLY HA2 0.000 . 7.000 3.695 3.532 4.085 . 0 0 "[ . 1 . 2]" 1 1159 1 87 PHE QE 1 99 GLY HA3 0.000 . 7.000 2.007 1.863 2.378 0.137 9 0 "[ . 1 . 2]" 1 1160 1 87 PHE QE 1 100 LYS H 0.000 . 7.000 3.443 3.093 3.806 . 0 0 "[ . 1 . 2]" 1 1161 1 87 PHE QE 1 100 LYS HA 0.000 . 7.000 2.904 2.466 3.600 . 0 0 "[ . 1 . 2]" 1 1162 1 87 PHE QE 1 101 ILE H 0.000 . 7.000 2.166 1.868 2.915 0.132 7 0 "[ . 1 . 2]" 1 1163 1 87 PHE QE 1 101 ILE HA 0.000 . 7.000 3.424 3.143 3.646 . 0 0 "[ . 1 . 2]" 1 1164 1 87 PHE QE 1 101 ILE MD 0.000 . 8.500 3.648 3.109 4.047 . 0 0 "[ . 1 . 2]" 1 1165 1 87 PHE QE 1 101 ILE QG 0.000 . 8.500 2.430 1.872 2.800 0.128 16 0 "[ . 1 . 2]" 1 1166 1 87 PHE QE 1 101 ILE MG 0.000 . 8.500 4.014 3.646 4.285 . 0 0 "[ . 1 . 2]" 1 1167 1 87 PHE HZ 1 99 GLY HA2 0.000 . 5.000 4.477 4.137 4.954 . 0 0 "[ . 1 . 2]" 1 1168 1 87 PHE HZ 1 99 GLY HA3 0.000 . 5.000 3.201 2.753 3.662 . 0 0 "[ . 1 . 2]" 1 1169 1 88 TYR H 1 88 TYR HA 0.000 . 2.850 2.928 2.909 2.958 0.108 5 0 "[ . 1 . 2]" 1 1170 1 88 TYR H 1 88 TYR HB2 0.000 . 4.000 3.974 3.900 4.014 0.014 10 0 "[ . 1 . 2]" 1 1171 1 88 TYR H 1 88 TYR HB3 0.000 . 3.400 3.377 3.265 3.421 0.021 17 0 "[ . 1 . 2]" 1 1172 1 88 TYR H 1 88 TYR QD 0.000 . 7.000 2.404 1.945 3.160 0.055 5 0 "[ . 1 . 2]" 1 1173 1 88 TYR HA 1 88 TYR HB2 0.000 . 3.100 2.456 2.419 2.496 . 0 0 "[ . 1 . 2]" 1 1174 1 88 TYR HA 1 88 TYR HB3 0.000 . 3.100 2.478 2.437 2.516 . 0 0 "[ . 1 . 2]" 1 1175 1 88 TYR HA 1 88 TYR QD 0.000 . 6.000 3.661 3.624 3.700 . 0 0 "[ . 1 . 2]" 1 1176 1 88 TYR HA 1 89 CYS H 0.000 . 3.560 2.817 2.612 3.005 . 0 0 "[ . 1 . 2]" 1 1177 1 88 TYR HA 1 98 VAL HA 0.000 . 5.000 2.154 1.806 2.661 0.194 10 0 "[ . 1 . 2]" 1 1178 1 88 TYR HA 1 98 VAL MG1 0.000 . 6.500 3.681 3.120 4.741 . 0 0 "[ . 1 . 2]" 1 1179 1 88 TYR HA 1 98 VAL MG2 0.000 . 6.500 3.130 2.355 3.829 . 0 0 "[ . 1 . 2]" 1 1180 1 88 TYR HB2 1 88 TYR QD 0.000 . 5.000 2.340 2.300 2.467 . 0 0 "[ . 1 . 2]" 1 1181 1 88 TYR HB2 1 89 CYS H 0.000 . 5.000 1.893 1.831 2.098 0.169 12 0 "[ . 1 . 2]" 1 1182 1 88 TYR HB2 1 98 VAL QG 0.000 . 7.900 2.536 1.846 3.429 0.154 11 0 "[ . 1 . 2]" 1 1183 1 88 TYR HB2 1 98 VAL MG2 0.000 . 6.500 2.606 1.853 3.635 0.147 11 0 "[ . 1 . 2]" 1 1184 1 88 TYR HB3 1 88 TYR QD 0.000 . 3.560 2.532 2.365 2.627 . 0 0 "[ . 1 . 2]" 1 1185 1 88 TYR HB3 1 89 CYS H 0.000 . 5.000 3.455 3.375 3.606 . 0 0 "[ . 1 . 2]" 1 1186 1 88 TYR HB3 1 98 VAL MG1 0.000 . 6.500 2.817 1.967 3.742 0.033 9 0 "[ . 1 . 2]" 1 1187 1 88 TYR QD 1 89 CYS H 0.000 . 7.000 2.337 2.029 2.839 . 0 0 "[ . 1 . 2]" 1 1188 1 88 TYR QD 1 90 GLU H 0.000 . 7.001 4.406 3.517 4.963 . 0 0 "[ . 1 . 2]" 1 1189 1 88 TYR QD 1 93 ARG QD 0.000 . 8.000 3.497 2.288 4.573 . 0 0 "[ . 1 . 2]" 1 1190 1 88 TYR QD 1 98 VAL MG1 0.000 . 8.500 4.296 3.645 5.028 . 0 0 "[ . 1 . 2]" 1 1191 1 88 TYR QD 1 98 VAL MG2 0.000 . 8.500 3.887 3.149 4.423 . 0 0 "[ . 1 . 2]" 1 1192 1 88 TYR QE 1 90 GLU H 0.000 . 7.001 4.508 3.438 5.038 . 0 0 "[ . 1 . 2]" 1 1193 1 88 TYR QE 1 90 GLU HB2 0.000 . 7.000 3.958 3.078 4.781 . 0 0 "[ . 1 . 2]" 1 1194 1 88 TYR QE 1 90 GLU HB3 0.000 . 7.000 5.266 4.545 5.813 . 0 0 "[ . 1 . 2]" 1 1195 1 88 TYR QE 1 93 ARG QD 0.000 . 6.560 3.545 2.395 4.444 . 0 0 "[ . 1 . 2]" 1 1196 1 88 TYR QE 1 98 VAL MG1 0.000 . 8.500 5.998 5.410 6.520 . 0 0 "[ . 1 . 2]" 1 1197 1 88 TYR QE 1 98 VAL MG2 0.000 . 8.500 5.586 4.887 6.089 . 0 0 "[ . 1 . 2]" 1 1198 1 89 CYS H 1 89 CYS QB 0.000 . 5.600 2.509 2.347 2.679 . 0 0 "[ . 1 . 2]" 1 1199 1 89 CYS HA 1 89 CYS QB 0.000 . 5.000 2.521 2.357 2.547 . 0 0 "[ . 1 . 2]" 1 1200 1 89 CYS HA 1 90 GLU H 0.000 . 5.000 2.263 2.187 2.399 . 0 0 "[ . 1 . 2]" 1 1201 1 89 CYS QB 1 90 GLU H 0.000 . 4.360 3.325 2.508 3.658 . 0 0 "[ . 1 . 2]" 1 1202 1 89 CYS QB 1 92 HIS H 0.000 . 6.000 2.528 2.011 3.240 . 0 0 "[ . 1 . 2]" 1 1203 1 90 GLU H 1 90 GLU HB2 0.000 . 3.400 2.685 2.276 3.011 . 0 0 "[ . 1 . 2]" 1 1204 1 90 GLU H 1 90 GLU HB3 0.000 . 3.100 2.534 2.252 2.922 . 0 0 "[ . 1 . 2]" 1 1205 1 90 GLU H 1 90 GLU QG 0.000 . 6.000 3.979 3.836 4.104 . 0 0 "[ . 1 . 2]" 1 1206 1 90 GLU HA 1 90 GLU HB2 0.000 . 3.100 2.467 2.330 2.672 . 0 0 "[ . 1 . 2]" 1 1207 1 90 GLU HA 1 90 GLU QG 0.000 . 5.600 2.446 2.030 2.797 . 0 0 "[ . 1 . 2]" 1 1208 1 90 GLU HB3 1 90 GLU QG 0.000 . 3.560 2.320 2.164 2.536 . 0 0 "[ . 1 . 2]" 1 1209 1 91 PRO QB 1 92 HIS H 0.000 . 6.000 2.637 2.232 2.926 . 0 0 "[ . 1 . 2]" 1 1210 1 91 PRO QD 1 91 PRO QG 0.000 . 5.000 1.964 1.961 1.966 0.039 11 0 "[ . 1 . 2]" 1 1211 1 91 PRO QD 1 92 HIS H 0.000 . 6.000 2.513 2.280 2.874 . 0 0 "[ . 1 . 2]" 1 1212 1 91 PRO QG 1 92 HIS H 0.000 . 6.000 2.133 1.972 2.366 0.028 18 0 "[ . 1 . 2]" 1 1213 1 92 HIS H 1 92 HIS HB2 0.000 . 3.100 2.735 2.529 2.859 . 0 0 "[ . 1 . 2]" 1 1214 1 92 HIS H 1 92 HIS HB3 0.000 . 4.000 3.655 3.595 3.744 . 0 0 "[ . 1 . 2]" 1 1215 1 92 HIS HA 1 92 HIS HB3 0.000 . 3.100 2.374 2.328 2.458 . 0 0 "[ . 1 . 2]" 1 1216 1 92 HIS HA 1 92 HIS HD2 0.000 . 3.560 3.313 2.853 3.617 0.057 11 0 "[ . 1 . 2]" 1 1217 1 92 HIS HA 1 93 ARG H 0.000 . 5.000 2.720 2.337 3.255 . 0 0 "[ . 1 . 2]" 1 1218 1 92 HIS HA 1 95 ALA H 0.000 . 5.001 4.400 3.478 4.943 . 0 0 "[ . 1 . 2]" 1 1219 1 92 HIS HA 1 95 ALA MB 0.000 . 6.500 3.470 2.774 4.483 . 0 0 "[ . 1 . 2]" 1 1220 1 92 HIS HB2 1 97 MET H 0.000 . 5.000 4.768 4.504 5.014 0.014 12 0 "[ . 1 . 2]" 1 1221 1 92 HIS HB3 1 93 ARG H 0.000 . 5.000 4.453 4.139 4.584 . 0 0 "[ . 1 . 2]" 1 1222 1 92 HIS HB3 1 95 ALA MB 0.000 . 6.500 2.498 1.784 3.664 0.216 5 0 "[ . 1 . 2]" 1 1223 1 92 HIS HB3 1 97 MET H 0.000 . 5.000 4.916 4.564 5.023 0.023 4 0 "[ . 1 . 2]" 1 1224 1 92 HIS HB3 1 97 MET HB2 0.000 . 5.000 3.913 2.815 4.478 . 0 0 "[ . 1 . 2]" 1 1225 1 93 ARG H 1 93 ARG QB 0.000 . 4.160 2.313 2.060 2.623 . 0 0 "[ . 1 . 2]" 1 1226 1 93 ARG HA 1 93 ARG QB 0.000 . 5.000 2.421 2.199 2.546 . 0 0 "[ . 1 . 2]" 1 1227 1 93 ARG HA 1 93 ARG QG 0.000 . 5.600 2.359 1.907 3.310 0.093 7 0 "[ . 1 . 2]" 1 1228 1 93 ARG HA 1 95 ALA H 0.000 . 5.000 3.641 3.269 4.285 . 0 0 "[ . 1 . 2]" 1 1229 1 93 ARG HA 1 97 MET H 0.000 . 5.000 4.328 3.458 5.027 0.027 15 0 "[ . 1 . 2]" 1 1230 1 93 ARG HA 1 98 VAL QG 0.000 . 7.900 4.291 3.605 5.630 . 0 0 "[ . 1 . 2]" 1 1231 1 93 ARG QB 1 93 ARG QG 0.000 . 5.000 2.084 2.043 2.108 . 0 0 "[ . 1 . 2]" 1 1232 1 93 ARG QD 1 93 ARG QG 0.000 . 5.000 2.064 1.973 2.108 0.027 12 0 "[ . 1 . 2]" 1 1233 1 94 GLY H 1 94 GLY QA 0.000 . 5.000 2.340 2.257 2.494 . 0 0 "[ . 1 . 2]" 1 1234 1 94 GLY QA 1 95 ALA H 0.000 . 6.000 2.860 2.610 2.941 . 0 0 "[ . 1 . 2]" 1 1235 1 95 ALA H 1 95 ALA MB 0.000 . 4.660 2.413 2.176 2.682 . 0 0 "[ . 1 . 2]" 1 1236 1 95 ALA H 1 96 GLY H 0.000 . 3.560 2.783 2.343 3.783 0.223 16 0 "[ . 1 . 2]" 1 1237 1 95 ALA HA 1 95 ALA MB 0.000 . 3.550 2.130 2.109 2.151 . 0 0 "[ . 1 . 2]" 1 1238 1 95 ALA HA 1 96 GLY H 0.000 . 2.850 2.899 2.856 3.148 0.298 16 0 "[ . 1 . 2]" 1 1239 1 95 ALA MB 1 96 GLY H 0.000 . 6.500 3.557 1.752 3.677 0.248 16 0 "[ . 1 . 2]" 1 1240 1 95 ALA MB 1 97 MET H 0.000 . 6.500 3.393 2.948 4.132 . 0 0 "[ . 1 . 2]" 1 1241 1 96 GLY H 1 96 GLY QA 0.000 . 3.560 2.252 2.232 2.422 . 0 0 "[ . 1 . 2]" 1 1242 1 96 GLY H 1 97 MET H 0.000 . 3.560 2.787 2.546 3.206 . 0 0 "[ . 1 . 2]" 1 1243 1 96 GLY QA 1 97 MET H 0.000 . 6.000 2.829 2.542 2.942 . 0 0 "[ . 1 . 2]" 1 1244 1 96 GLY QA 1 98 VAL QG 0.000 . 8.900 3.399 2.888 4.057 . 0 0 "[ . 1 . 2]" 1 1245 1 97 MET H 1 97 MET HB2 0.000 . 3.100 2.392 2.196 2.660 . 0 0 "[ . 1 . 2]" 1 1246 1 97 MET H 1 97 MET HB3 0.000 . 4.000 3.610 3.508 3.727 . 0 0 "[ . 1 . 2]" 1 1247 1 97 MET HA 1 97 MET HB3 0.000 . 3.100 2.555 2.405 2.676 . 0 0 "[ . 1 . 2]" 1 1248 1 97 MET HA 1 98 VAL H 0.000 . 3.560 2.604 2.467 2.889 . 0 0 "[ . 1 . 2]" 1 1249 1 98 VAL H 1 98 VAL HB 0.000 . 3.560 2.857 2.641 3.475 . 0 0 "[ . 1 . 2]" 1 1250 1 98 VAL H 1 98 VAL MG1 0.000 . 6.500 3.617 1.857 3.966 0.143 12 0 "[ . 1 . 2]" 1 1251 1 98 VAL H 1 98 VAL MG2 0.000 . 6.500 3.037 2.740 3.850 . 0 0 "[ . 1 . 2]" 1 1252 1 98 VAL HA 1 98 VAL MG1 0.000 . 4.760 2.455 2.176 3.174 . 0 0 "[ . 1 . 2]" 1 1253 1 98 VAL HA 1 98 VAL MG2 0.000 . 4.760 2.376 2.228 2.499 . 0 0 "[ . 1 . 2]" 1 1254 1 98 VAL HA 1 99 GLY H 0.000 . 2.850 2.270 2.195 2.482 . 0 0 "[ . 1 . 2]" 1 1255 1 98 VAL HB 1 98 VAL MG1 0.000 . 4.060 2.122 2.107 2.148 . 0 0 "[ . 1 . 2]" 1 1256 1 98 VAL HB 1 98 VAL MG2 0.000 . 4.060 2.127 2.111 2.153 . 0 0 "[ . 1 . 2]" 1 1257 1 98 VAL HB 1 99 GLY H 0.000 . 5.000 4.372 3.923 4.526 . 0 0 "[ . 1 . 2]" 1 1258 1 98 VAL MG1 1 99 GLY H 0.000 . 6.500 3.246 2.435 4.182 . 0 0 "[ . 1 . 2]" 1 1259 1 98 VAL MG2 1 99 GLY H 0.000 . 6.500 4.012 1.998 4.376 0.002 17 0 "[ . 1 . 2]" 1 1260 1 99 GLY H 1 99 GLY HA2 0.000 . 2.850 2.950 2.885 2.976 0.126 5 0 "[ . 1 . 2]" 1 1261 1 99 GLY HA2 1 100 LYS H 0.000 . 3.850 2.619 2.375 2.802 . 0 0 "[ . 1 . 2]" 1 1262 1 99 GLY HA3 1 100 LYS H 0.000 . 5.000 2.621 2.440 2.927 . 0 0 "[ . 1 . 2]" 1 1263 1 100 LYS H 1 100 LYS HB2 0.000 . 3.100 2.934 2.688 3.132 0.032 9 0 "[ . 1 . 2]" 1 1264 1 100 LYS H 1 100 LYS HB3 0.000 . 4.000 3.929 3.824 3.994 . 0 0 "[ . 1 . 2]" 1 1265 1 100 LYS H 1 100 LYS QG 0.000 . 6.000 3.073 2.425 3.697 . 0 0 "[ . 1 . 2]" 1 1266 1 100 LYS HA 1 100 LYS HB3 0.000 . 3.100 2.471 2.313 2.674 . 0 0 "[ . 1 . 2]" 1 1267 1 100 LYS HA 1 100 LYS QG 0.000 . 5.600 2.383 2.060 2.700 . 0 0 "[ . 1 . 2]" 1 1268 1 100 LYS HA 1 101 ILE H 0.000 . 2.850 2.219 2.192 2.268 . 0 0 "[ . 1 . 2]" 1 1269 1 100 LYS HA 1 101 ILE MG 0.000 . 6.500 5.204 4.950 5.359 . 0 0 "[ . 1 . 2]" 1 1270 1 100 LYS HB2 1 101 ILE H 0.000 . 5.000 4.139 3.777 4.482 . 0 0 "[ . 1 . 2]" 1 1271 1 100 LYS HB3 1 101 ILE H 0.000 . 5.000 3.311 2.999 3.565 . 0 0 "[ . 1 . 2]" 1 1272 1 100 LYS QG 1 101 ILE H 0.000 . 6.000 4.164 3.603 4.498 . 0 0 "[ . 1 . 2]" 1 1273 1 101 ILE H 1 101 ILE HB 0.000 . 2.850 2.206 2.141 2.353 . 0 0 "[ . 1 . 2]" 1 1274 1 101 ILE H 1 101 ILE MG 0.000 . 6.500 3.357 3.029 3.543 . 0 0 "[ . 1 . 2]" 1 1275 1 101 ILE HA 1 101 ILE MD 0.000 . 6.000 3.657 3.619 3.696 . 0 0 "[ . 1 . 2]" 1 1276 1 101 ILE HA 1 101 ILE QG 0.000 . 6.000 2.098 2.069 2.141 . 0 0 "[ . 1 . 2]" 1 1277 1 101 ILE HA 1 101 ILE MG 0.000 . 4.660 2.869 2.733 3.021 . 0 0 "[ . 1 . 2]" 1 1278 1 101 ILE HA 1 102 THR H 0.000 . 2.850 2.230 2.184 2.357 . 0 0 "[ . 1 . 2]" 1 1279 1 101 ILE HB 1 101 ILE MG 0.000 . 3.350 2.151 2.147 2.153 . 0 0 "[ . 1 . 2]" 1 1280 1 101 ILE HB 1 102 THR H 0.000 . 5.000 4.439 4.120 4.590 . 0 0 "[ . 1 . 2]" 1 1281 1 101 ILE MD 1 101 ILE QG 0.000 . 7.000 1.883 1.880 1.887 0.120 17 0 "[ . 1 . 2]" 1 1282 1 101 ILE MD 1 101 ILE MG 0.000 . 6.000 1.578 1.527 1.669 0.473 13 0 "[ . 1 . 2]" 1 1283 1 101 ILE QG 1 101 ILE MG 0.000 . 6.060 2.420 2.358 2.469 . 0 0 "[ . 1 . 2]" 1 1284 1 101 ILE MG 1 102 THR H 0.000 . 5.060 2.821 2.094 3.200 . 0 0 "[ . 1 . 2]" 1 1285 1 101 ILE MG 1 102 THR HA 0.000 . 6.500 3.441 3.224 3.589 . 0 0 "[ . 1 . 2]" 1 1286 1 101 ILE MG 1 103 VAL HA 0.000 . 6.500 3.843 3.638 4.083 . 0 0 "[ . 1 . 2]" 1 1287 1 101 ILE MG 1 103 VAL HB 0.000 . 6.500 3.843 3.448 4.334 . 0 0 "[ . 1 . 2]" 1 1288 1 102 THR H 1 102 THR HB 0.000 . 5.000 2.890 2.442 3.290 . 0 0 "[ . 1 . 2]" 1 1289 1 102 THR H 1 102 THR HG1 0.000 . 6.500 2.805 1.868 3.285 0.132 5 0 "[ . 1 . 2]" 1 1290 1 102 THR HA 1 102 THR HG1 0.000 . 6.100 2.026 1.878 2.203 0.122 12 0 "[ . 1 . 2]" 1 1291 1 102 THR HA 1 103 VAL H 0.000 . 2.850 2.251 2.195 2.301 . 0 0 "[ . 1 . 2]" 1 1292 1 102 THR HA 1 103 VAL MG2 0.000 . 6.500 3.787 3.579 4.169 . 0 0 "[ . 1 . 2]" 1 1293 1 102 THR HB 1 102 THR HG1 0.000 . 4.060 2.017 1.864 2.086 0.136 8 0 "[ . 1 . 2]" 1 1294 1 102 THR HB 1 103 VAL H 0.000 . 5.000 4.279 4.076 4.528 . 0 0 "[ . 1 . 2]" 1 1295 1 102 THR HG1 1 103 VAL H 0.000 . 6.500 3.324 2.916 3.532 . 0 0 "[ . 1 . 2]" 1 1296 1 103 VAL H 1 103 VAL HB 0.000 . 5.000 2.652 2.324 2.842 . 0 0 "[ . 1 . 2]" 1 1297 1 103 VAL H 1 103 VAL MG1 0.000 . 6.500 3.813 3.690 3.843 . 0 0 "[ . 1 . 2]" 1 1298 1 103 VAL H 1 103 VAL MG2 0.000 . 6.500 2.347 1.917 2.830 0.083 8 0 "[ . 1 . 2]" 1 1299 1 103 VAL HA 1 103 VAL MG1 0.000 . 4.050 2.203 2.015 2.522 . 0 0 "[ . 1 . 2]" 1 1300 1 103 VAL HA 1 103 VAL MG2 0.000 . 4.760 2.433 2.266 2.604 . 0 0 "[ . 1 . 2]" 1 1301 1 103 VAL HA 1 104 ALA H 0.000 . 2.850 2.280 2.176 2.508 . 0 0 "[ . 1 . 2]" 1 1302 1 103 VAL HB 1 103 VAL MG1 0.000 . 5.500 2.120 2.105 2.148 . 0 0 "[ . 1 . 2]" 1 1303 1 103 VAL HB 1 103 VAL MG2 0.000 . 3.350 2.129 2.110 2.151 . 0 0 "[ . 1 . 2]" 1 1304 1 103 VAL HB 1 104 ALA H 0.000 . 5.000 4.233 3.753 4.560 . 0 0 "[ . 1 . 2]" 1 1305 1 103 VAL MG1 1 104 ALA H 0.000 . 6.500 3.034 2.022 3.845 . 0 0 "[ . 1 . 2]" 1 1306 1 103 VAL MG2 1 104 ALA H 0.000 . 6.500 4.250 3.990 4.370 . 0 0 "[ . 1 . 2]" 1 1307 1 104 ALA H 1 104 ALA MB 0.000 . 6.200 2.370 2.094 2.890 . 0 0 "[ . 1 . 2]" 1 1308 1 104 ALA HA 1 104 ALA MB 0.000 . 4.260 2.134 2.107 2.152 . 0 0 "[ . 1 . 2]" 1 1309 1 104 ALA HA 1 105 GLY H 0.000 . 3.560 2.728 2.191 3.571 0.011 6 0 "[ . 1 . 2]" 1 1310 1 104 ALA MB 1 105 GLY H 0.000 . 6.500 2.518 1.810 3.640 0.190 18 0 "[ . 1 . 2]" 1 1311 1 105 GLY H 1 105 GLY QA 0.000 . 5.000 2.375 2.237 2.535 . 0 0 "[ . 1 . 2]" 1 stop_ save_
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