NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
520676 | 2lgl | 17813 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lgl 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 720 _Distance_constraint_stats_list.Viol_count 2609 _Distance_constraint_stats_list.Viol_total 3499.173 _Distance_constraint_stats_list.Viol_max 0.369 _Distance_constraint_stats_list.Viol_rms 0.0340 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0121 _Distance_constraint_stats_list.Viol_average_violations_only 0.0671 _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 4 SER 0.294 0.079 8 0 "[ . 1 . 2]" 1 5 CYS 1.883 0.127 10 0 "[ . 1 . 2]" 1 6 LYS 3.789 0.185 16 0 "[ . 1 . 2]" 1 7 HIS 3.642 0.122 1 0 "[ . 1 . 2]" 1 8 CYS 5.316 0.225 10 0 "[ . 1 . 2]" 1 9 LYS 3.490 0.225 10 0 "[ . 1 . 2]" 1 10 ASP 2.221 0.185 16 0 "[ . 1 . 2]" 1 11 ASP 1.240 0.078 15 0 "[ . 1 . 2]" 1 12 VAL 1.959 0.179 12 0 "[ . 1 . 2]" 1 13 ASN 1.126 0.179 7 0 "[ . 1 . 2]" 1 14 ARG 1.815 0.179 7 0 "[ . 1 . 2]" 1 15 LEU 12.800 0.267 5 0 "[ . 1 . 2]" 1 16 CYS 3.842 0.144 2 0 "[ . 1 . 2]" 1 17 ARG 6.181 0.174 5 0 "[ . 1 . 2]" 1 18 VAL 11.739 0.180 20 0 "[ . 1 . 2]" 1 19 CYS 6.015 0.180 20 0 "[ . 1 . 2]" 1 20 ALA 4.346 0.137 7 0 "[ . 1 . 2]" 1 21 CYS 1.393 0.109 2 0 "[ . 1 . 2]" 1 22 HIS 2.276 0.244 9 0 "[ . 1 . 2]" 1 23 LEU 9.112 0.278 3 0 "[ . 1 . 2]" 1 24 CYS 5.919 0.278 3 0 "[ . 1 . 2]" 1 25 GLY 4.494 0.152 1 0 "[ . 1 . 2]" 1 26 GLY 2.575 0.214 19 0 "[ . 1 . 2]" 1 27 ARG 1.735 0.153 8 0 "[ . 1 . 2]" 1 28 GLN 6.181 0.216 16 0 "[ . 1 . 2]" 1 29 ASP 9.320 0.216 16 0 "[ . 1 . 2]" 1 30 PRO 0.021 0.018 5 0 "[ . 1 . 2]" 1 31 ASP 5.090 0.212 4 0 "[ . 1 . 2]" 1 32 LYS 8.362 0.212 4 0 "[ . 1 . 2]" 1 33 GLN 5.313 0.184 20 0 "[ . 1 . 2]" 1 34 LEU 4.820 0.148 1 0 "[ . 1 . 2]" 1 35 MET 3.455 0.148 1 0 "[ . 1 . 2]" 1 36 CYS 5.429 0.174 12 0 "[ . 1 . 2]" 1 37 ASP 2.999 0.150 16 0 "[ . 1 . 2]" 1 38 GLU 7.917 0.175 3 0 "[ . 1 . 2]" 1 39 CYS 3.717 0.142 3 0 "[ . 1 . 2]" 1 40 ASP 4.289 0.172 17 0 "[ . 1 . 2]" 1 41 MET 6.005 0.278 4 0 "[ . 1 . 2]" 1 42 ALA 4.009 0.174 12 0 "[ . 1 . 2]" 1 43 PHE 1.677 0.107 2 0 "[ . 1 . 2]" 1 44 HIS 3.214 0.165 18 0 "[ . 1 . 2]" 1 45 ILE 6.679 0.150 13 0 "[ . 1 . 2]" 1 46 TYR 3.948 0.171 12 0 "[ . 1 . 2]" 1 47 CYS 0.556 0.173 5 0 "[ . 1 . 2]" 1 48 LEU 11.419 0.369 3 0 "[ . 1 . 2]" 1 49 ASP 2.123 0.135 6 0 "[ . 1 . 2]" 1 50 PRO 1.432 0.060 13 0 "[ . 1 . 2]" 1 51 PRO 2.672 0.369 3 0 "[ . 1 . 2]" 1 52 LEU 6.179 0.204 10 0 "[ . 1 . 2]" 1 53 SER 2.706 0.205 7 0 "[ . 1 . 2]" 1 54 SER 4.952 0.205 7 0 "[ . 1 . 2]" 1 55 VAL 1.813 0.204 10 0 "[ . 1 . 2]" 1 56 PRO 2.002 0.175 8 0 "[ . 1 . 2]" 1 57 SER 1.976 0.091 16 0 "[ . 1 . 2]" 1 58 GLU 3.570 0.129 6 0 "[ . 1 . 2]" 1 59 ASP 1.953 0.084 1 0 "[ . 1 . 2]" 1 60 GLU 2.601 0.226 2 0 "[ . 1 . 2]" 1 61 TRP 2.333 0.226 2 0 "[ . 1 . 2]" 1 62 TYR 5.305 0.161 5 0 "[ . 1 . 2]" 1 63 CYS 1.823 0.131 13 0 "[ . 1 . 2]" 1 64 PRO 0.397 0.053 7 0 "[ . 1 . 2]" 1 65 GLU 7.369 0.254 19 0 "[ . 1 . 2]" 1 66 CYS 8.426 0.254 19 0 "[ . 1 . 2]" 1 67 ARG 4.702 0.226 5 0 "[ . 1 . 2]" 1 68 ASN 6.278 0.225 16 0 "[ . 1 . 2]" 1 69 ASP 4.378 0.225 16 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 4 SER HA 1 5 CYS H 1.800 . 3.500 2.831 2.289 3.579 0.079 8 0 "[ . 1 . 2]" 1 2 1 4 SER QB 1 5 CYS H 1.800 . 3.500 2.774 2.560 3.520 0.020 12 0 "[ . 1 . 2]" 1 3 1 5 CYS H 1 5 CYS HB2 1.800 . 3.500 2.353 2.191 3.279 . 0 0 "[ . 1 . 2]" 1 4 1 5 CYS H 1 5 CYS HB3 1.800 . 3.500 3.516 2.966 3.627 0.127 10 0 "[ . 1 . 2]" 1 5 1 5 CYS H 1 6 LYS H 1.800 . 5.000 4.452 4.303 4.554 . 0 0 "[ . 1 . 2]" 1 6 1 5 CYS HA 1 6 LYS H 1.800 . 2.900 2.213 2.187 2.357 . 0 0 "[ . 1 . 2]" 1 7 1 5 CYS HA 1 7 HIS H 1.800 . 5.000 4.132 3.482 4.783 . 0 0 "[ . 1 . 2]" 1 8 1 5 CYS QB 1 7 HIS H 1.800 . 5.000 4.177 2.029 4.878 . 0 0 "[ . 1 . 2]" 1 9 1 5 CYS QB 1 10 ASP H 1.800 . 6.000 4.329 1.744 5.853 0.056 20 0 "[ . 1 . 2]" 1 10 1 5 CYS HB2 1 6 LYS H 1.800 . 5.000 4.384 3.015 4.569 . 0 0 "[ . 1 . 2]" 1 11 1 5 CYS HB2 1 8 CYS H 1.800 . 5.000 4.693 2.813 5.121 0.121 8 0 "[ . 1 . 2]" 1 12 1 5 CYS HB2 1 10 ASP H 1.800 . 6.000 5.535 2.426 6.062 0.062 10 0 "[ . 1 . 2]" 1 13 1 5 CYS HB3 1 6 LYS H 1.800 . 5.000 3.532 3.236 3.995 . 0 0 "[ . 1 . 2]" 1 14 1 5 CYS HB3 1 8 CYS H 1.800 . 5.000 3.183 2.760 4.560 . 0 0 "[ . 1 . 2]" 1 15 1 6 LYS H 1 6 LYS HA 1.800 . 2.900 2.970 2.937 2.984 0.084 14 0 "[ . 1 . 2]" 1 16 1 6 LYS H 1 6 LYS QB 1.800 . 2.900 2.432 2.408 2.494 . 0 0 "[ . 1 . 2]" 1 17 1 6 LYS H 1 6 LYS QE 1.800 . 5.000 4.749 4.368 4.955 . 0 0 "[ . 1 . 2]" 1 18 1 6 LYS H 1 6 LYS HG2 1.800 . 5.000 3.837 3.497 4.475 . 0 0 "[ . 1 . 2]" 1 19 1 6 LYS H 1 6 LYS HG3 1.800 . 5.000 2.884 2.394 4.608 . 0 0 "[ . 1 . 2]" 1 20 1 6 LYS H 1 7 HIS H 1.800 . 2.900 2.334 2.125 2.706 . 0 0 "[ . 1 . 2]" 1 21 1 6 LYS H 1 7 HIS HA 1.800 . 5.000 4.973 4.730 5.122 0.122 1 0 "[ . 1 . 2]" 1 22 1 6 LYS H 1 7 HIS QB 1.800 . 5.000 4.400 3.896 4.835 . 0 0 "[ . 1 . 2]" 1 23 1 6 LYS H 1 8 CYS H 1.800 . 5.000 3.358 2.959 4.736 . 0 0 "[ . 1 . 2]" 1 24 1 6 LYS HA 1 6 LYS QG 1.800 . 3.500 2.313 2.299 2.336 . 0 0 "[ . 1 . 2]" 1 25 1 6 LYS HA 1 7 HIS H 1.800 . 3.500 3.538 3.274 3.590 0.090 20 0 "[ . 1 . 2]" 1 26 1 6 LYS HA 1 9 LYS H 1.800 . 5.000 4.394 3.064 4.949 . 0 0 "[ . 1 . 2]" 1 27 1 6 LYS QB 1 7 HIS H 1.800 . 5.000 2.565 2.023 3.435 . 0 0 "[ . 1 . 2]" 1 28 1 6 LYS QB 1 8 CYS H 1.800 . 6.000 4.390 3.952 5.665 . 0 0 "[ . 1 . 2]" 1 29 1 6 LYS QB 1 10 ASP H 1.800 . 6.000 5.870 5.409 6.185 0.185 16 0 "[ . 1 . 2]" 1 30 1 6 LYS QE 1 6 LYS HG2 1.800 . 3.500 2.480 2.241 3.116 . 0 0 "[ . 1 . 2]" 1 31 1 6 LYS QE 1 6 LYS HG3 1.800 . 3.500 2.479 2.269 3.341 . 0 0 "[ . 1 . 2]" 1 32 1 6 LYS HG2 1 7 HIS H 1.800 . 5.000 4.803 3.389 5.102 0.102 8 0 "[ . 1 . 2]" 1 33 1 6 LYS HG3 1 7 HIS H 1.800 . 5.000 4.383 4.178 4.631 . 0 0 "[ . 1 . 2]" 1 34 1 7 HIS H 1 7 HIS HA 1.800 . 2.900 2.966 2.924 2.984 0.084 11 0 "[ . 1 . 2]" 1 35 1 7 HIS H 1 7 HIS HB2 1.800 . 3.500 2.484 2.217 2.921 . 0 0 "[ . 1 . 2]" 1 36 1 7 HIS H 1 8 CYS H 1.800 . 2.900 2.306 2.167 2.703 . 0 0 "[ . 1 . 2]" 1 37 1 7 HIS H 1 8 CYS HA 1.800 . 6.000 4.882 4.706 5.154 . 0 0 "[ . 1 . 2]" 1 38 1 7 HIS H 1 8 CYS QB 1.800 . 5.000 4.657 3.714 5.015 0.015 8 0 "[ . 1 . 2]" 1 39 1 7 HIS H 1 9 LYS H 1.800 . 5.000 4.204 3.158 4.925 . 0 0 "[ . 1 . 2]" 1 40 1 7 HIS H 1 16 CYS HA 1.800 . 6.000 5.165 5.048 5.282 . 0 0 "[ . 1 . 2]" 1 41 1 7 HIS H 1 18 VAL MG1 1.800 . 5.000 4.020 1.985 5.085 0.085 8 0 "[ . 1 . 2]" 1 42 1 7 HIS H 1 18 VAL MG2 1.800 . 5.000 3.274 1.921 4.476 . 0 0 "[ . 1 . 2]" 1 43 1 7 HIS HA 1 8 CYS H 1.800 . 3.500 3.350 3.214 3.576 0.076 6 0 "[ . 1 . 2]" 1 44 1 7 HIS QB 1 18 VAL QG 1.800 . 3.500 2.565 1.981 3.540 0.040 6 0 "[ . 1 . 2]" 1 45 1 7 HIS HB2 1 18 VAL QG 1.800 . 5.000 2.633 1.997 3.672 . 0 0 "[ . 1 . 2]" 1 46 1 7 HIS HB3 1 18 VAL QG 1.800 . 5.000 3.785 2.299 4.926 . 0 0 "[ . 1 . 2]" 1 47 1 8 CYS H 1 8 CYS HA 1.800 . 2.900 2.943 2.885 2.969 0.069 8 0 "[ . 1 . 2]" 1 48 1 8 CYS H 1 8 CYS HB2 1.800 . 3.500 3.027 2.226 3.614 0.114 6 0 "[ . 1 . 2]" 1 49 1 8 CYS H 1 8 CYS HB3 1.800 . 3.500 3.472 2.521 3.599 0.099 13 0 "[ . 1 . 2]" 1 50 1 8 CYS H 1 9 LYS H 1.800 . 2.900 2.411 2.159 2.819 . 0 0 "[ . 1 . 2]" 1 51 1 8 CYS H 1 9 LYS HA 1.800 . 5.000 4.997 4.471 5.225 0.225 10 0 "[ . 1 . 2]" 1 52 1 8 CYS H 1 9 LYS QB 1.800 . 5.000 4.340 4.020 5.034 0.034 20 0 "[ . 1 . 2]" 1 53 1 8 CYS H 1 10 ASP H 1.800 . 5.000 3.868 3.378 4.629 . 0 0 "[ . 1 . 2]" 1 54 1 8 CYS H 1 18 VAL MG1 1.800 . 6.000 5.482 3.106 6.080 0.080 14 0 "[ . 1 . 2]" 1 55 1 8 CYS H 1 18 VAL MG2 1.800 . 6.000 4.733 3.282 6.108 0.108 16 0 "[ . 1 . 2]" 1 56 1 8 CYS HA 1 9 LYS H 1.800 . 3.500 3.533 3.397 3.578 0.078 11 0 "[ . 1 . 2]" 1 57 1 8 CYS HA 1 10 ASP H 1.800 . 5.000 4.478 4.087 4.847 . 0 0 "[ . 1 . 2]" 1 58 1 8 CYS HA 1 15 LEU H 1.800 . 6.000 4.974 2.859 6.084 0.084 7 0 "[ . 1 . 2]" 1 59 1 8 CYS HB2 1 9 LYS H 1.800 . 5.000 2.776 2.228 4.095 . 0 0 "[ . 1 . 2]" 1 60 1 8 CYS HB3 1 9 LYS H 1.800 . 5.000 3.905 1.987 4.458 . 0 0 "[ . 1 . 2]" 1 61 1 9 LYS H 1 9 LYS HA 1.800 . 2.900 2.763 2.345 2.850 . 0 0 "[ . 1 . 2]" 1 62 1 9 LYS H 1 9 LYS QD 1.800 . 5.000 4.407 3.835 4.697 . 0 0 "[ . 1 . 2]" 1 63 1 9 LYS H 1 9 LYS HG2 1.800 . 5.000 4.215 3.223 4.669 . 0 0 "[ . 1 . 2]" 1 64 1 9 LYS H 1 9 LYS HG3 1.800 . 5.000 3.963 2.153 4.467 . 0 0 "[ . 1 . 2]" 1 65 1 9 LYS H 1 10 ASP H 1.800 . 3.500 2.751 2.684 2.834 . 0 0 "[ . 1 . 2]" 1 66 1 9 LYS HA 1 9 LYS QD 1.800 . 5.000 3.877 2.207 3.988 . 0 0 "[ . 1 . 2]" 1 67 1 9 LYS HA 1 9 LYS HG2 1.800 . 3.500 2.872 2.417 3.699 0.199 14 0 "[ . 1 . 2]" 1 68 1 9 LYS HA 1 9 LYS HG3 1.800 . 3.500 2.640 2.428 3.188 . 0 0 "[ . 1 . 2]" 1 69 1 9 LYS HA 1 10 ASP H 1.800 . 3.500 3.433 2.762 3.564 0.064 3 0 "[ . 1 . 2]" 1 70 1 9 LYS QB 1 9 LYS QE 1.800 . 5.000 3.378 2.114 3.685 . 0 0 "[ . 1 . 2]" 1 71 1 9 LYS QE 1 9 LYS QG 1.800 . 3.500 2.208 2.086 2.862 . 0 0 "[ . 1 . 2]" 1 72 1 10 ASP H 1 10 ASP QB 1.800 . 3.500 2.554 2.400 3.323 . 0 0 "[ . 1 . 2]" 1 73 1 10 ASP H 1 11 ASP H 1.800 . 2.900 2.723 2.592 2.902 0.002 7 0 "[ . 1 . 2]" 1 74 1 10 ASP H 1 11 ASP HA 1.800 . 6.000 5.302 5.121 5.441 . 0 0 "[ . 1 . 2]" 1 75 1 10 ASP HA 1 11 ASP H 1.800 . 3.500 3.431 2.802 3.562 0.062 5 0 "[ . 1 . 2]" 1 76 1 10 ASP HB2 1 11 ASP H 1.800 . 5.000 2.989 1.912 4.423 . 0 0 "[ . 1 . 2]" 1 77 1 10 ASP HB3 1 11 ASP H 1.800 . 5.000 3.743 2.707 4.461 . 0 0 "[ . 1 . 2]" 1 78 1 11 ASP H 1 11 ASP HA 1.800 . 2.900 2.886 2.376 2.978 0.078 15 0 "[ . 1 . 2]" 1 79 1 11 ASP H 1 11 ASP QB 1.800 . 3.500 2.569 2.296 3.165 . 0 0 "[ . 1 . 2]" 1 80 1 11 ASP H 1 12 VAL HA 1.800 . 6.000 5.161 4.382 5.641 . 0 0 "[ . 1 . 2]" 1 81 1 11 ASP HA 1 12 VAL H 1.800 . 3.500 2.474 2.177 3.466 . 0 0 "[ . 1 . 2]" 1 82 1 11 ASP HA 1 12 VAL QG 1.800 . 5.000 3.937 3.552 4.837 . 0 0 "[ . 1 . 2]" 1 83 1 12 VAL H 1 12 VAL HA 1.800 . 2.900 2.849 2.797 2.898 . 0 0 "[ . 1 . 2]" 1 84 1 12 VAL H 1 12 VAL HB 1.800 . 3.500 2.573 2.345 3.594 0.094 13 0 "[ . 1 . 2]" 1 85 1 12 VAL H 1 12 VAL QG 1.800 . 3.500 2.190 1.815 2.402 . 0 0 "[ . 1 . 2]" 1 86 1 12 VAL H 1 13 ASN QB 1.800 . 5.000 4.774 4.444 5.105 0.105 17 0 "[ . 1 . 2]" 1 87 1 12 VAL HA 1 12 VAL MG1 1.800 . 3.500 2.556 2.251 3.182 . 0 0 "[ . 1 . 2]" 1 88 1 12 VAL HA 1 12 VAL MG2 1.800 . 3.500 2.391 2.203 3.191 . 0 0 "[ . 1 . 2]" 1 89 1 12 VAL HA 1 13 ASN H 1.800 . 3.500 3.527 3.453 3.580 0.080 7 0 "[ . 1 . 2]" 1 90 1 12 VAL HA 1 14 ARG H 1.800 . 5.000 4.220 3.313 5.179 0.179 12 0 "[ . 1 . 2]" 1 91 1 12 VAL HB 1 13 ASN H 1.800 . 5.000 3.051 2.245 3.962 . 0 0 "[ . 1 . 2]" 1 92 1 12 VAL QG 1 13 ASN H 1.800 . 3.500 2.768 1.810 3.366 . 0 0 "[ . 1 . 2]" 1 93 1 12 VAL QG 1 13 ASN QB 1.800 . 5.000 3.866 2.307 4.595 . 0 0 "[ . 1 . 2]" 1 94 1 12 VAL MG1 1 14 ARG H 1.800 . 5.000 3.919 1.941 4.951 . 0 0 "[ . 1 . 2]" 1 95 1 12 VAL MG2 1 14 ARG H 1.800 . 5.000 4.552 1.794 5.145 0.145 6 0 "[ . 1 . 2]" 1 96 1 13 ASN H 1 13 ASN HA 1.800 . 2.900 2.691 2.344 2.907 0.007 10 0 "[ . 1 . 2]" 1 97 1 13 ASN H 1 13 ASN QB 1.800 . 3.500 2.736 2.242 3.260 . 0 0 "[ . 1 . 2]" 1 98 1 13 ASN H 1 14 ARG H 1.800 . 2.900 2.610 1.792 3.079 0.179 7 0 "[ . 1 . 2]" 1 99 1 13 ASN HA 1 14 ARG H 1.800 . 3.500 3.268 2.590 3.526 0.026 16 0 "[ . 1 . 2]" 1 100 1 13 ASN QB 1 14 ARG H 1.800 . 5.000 3.237 2.717 3.994 . 0 0 "[ . 1 . 2]" 1 101 1 14 ARG H 1 14 ARG HA 1.800 . 2.900 2.703 2.326 2.989 0.089 19 0 "[ . 1 . 2]" 1 102 1 14 ARG H 1 15 LEU H 1.800 . 5.000 3.701 2.714 4.707 . 0 0 "[ . 1 . 2]" 1 103 1 14 ARG HA 1 15 LEU H 1.800 . 3.500 2.869 2.288 3.561 0.061 15 0 "[ . 1 . 2]" 1 104 1 14 ARG HB2 1 15 LEU H 1.800 . 5.000 3.672 1.908 4.638 . 0 0 "[ . 1 . 2]" 1 105 1 14 ARG HB3 1 15 LEU H 1.800 . 5.000 3.068 1.758 4.457 0.042 12 0 "[ . 1 . 2]" 1 106 1 15 LEU H 1 15 LEU HA 1.800 . 2.900 2.924 2.889 2.971 0.071 15 0 "[ . 1 . 2]" 1 107 1 15 LEU H 1 15 LEU HB2 1.800 . 3.500 2.548 2.493 2.603 . 0 0 "[ . 1 . 2]" 1 108 1 15 LEU H 1 15 LEU HB3 1.800 . 3.500 3.636 3.604 3.699 0.199 2 0 "[ . 1 . 2]" 1 109 1 15 LEU H 1 15 LEU QD 1.800 . 2.900 2.964 2.829 3.050 0.150 18 0 "[ . 1 . 2]" 1 110 1 15 LEU H 1 15 LEU HG 1.800 . 2.900 2.164 1.951 2.632 . 0 0 "[ . 1 . 2]" 1 111 1 15 LEU H 1 16 CYS H 1.800 . 5.000 4.600 4.514 4.639 . 0 0 "[ . 1 . 2]" 1 112 1 15 LEU HA 1 15 LEU MD2 1.800 . 2.900 2.060 2.030 2.384 . 0 0 "[ . 1 . 2]" 1 113 1 15 LEU HA 1 15 LEU HG 1.800 . 3.500 3.116 2.647 3.216 . 0 0 "[ . 1 . 2]" 1 114 1 15 LEU HA 1 16 CYS H 1.800 . 2.900 2.251 2.230 2.275 . 0 0 "[ . 1 . 2]" 1 115 1 15 LEU QB 1 16 CYS H 1.800 . 5.000 2.885 2.774 3.080 . 0 0 "[ . 1 . 2]" 1 116 1 15 LEU QB 1 26 GLY H 1.800 . 5.000 4.913 4.292 5.118 0.118 9 0 "[ . 1 . 2]" 1 117 1 15 LEU HB2 1 15 LEU MD1 1.800 . 2.900 2.354 2.166 2.468 . 0 0 "[ . 1 . 2]" 1 118 1 15 LEU HB2 1 15 LEU MD2 1.800 . 2.900 3.162 3.093 3.167 0.267 5 0 "[ . 1 . 2]" 1 119 1 15 LEU HB3 1 15 LEU MD1 1.800 . 2.900 2.350 2.222 2.677 . 0 0 "[ . 1 . 2]" 1 120 1 15 LEU HB3 1 15 LEU MD2 1.800 . 2.900 2.256 2.138 2.308 . 0 0 "[ . 1 . 2]" 1 121 1 15 LEU QD 1 16 CYS H 1.800 . 3.500 3.410 3.312 3.532 0.032 15 0 "[ . 1 . 2]" 1 122 1 15 LEU QD 1 26 GLY H 1.800 . 5.000 4.464 3.824 5.038 0.038 12 0 "[ . 1 . 2]" 1 123 1 15 LEU QD 1 27 ARG H 1.800 . 5.000 4.542 3.064 5.097 0.097 18 0 "[ . 1 . 2]" 1 124 1 15 LEU MD1 1 25 GLY QA 1.800 . 5.000 3.158 2.393 3.948 . 0 0 "[ . 1 . 2]" 1 125 1 15 LEU MD2 1 25 GLY QA 1.800 . 5.000 3.512 2.384 4.281 . 0 0 "[ . 1 . 2]" 1 126 1 15 LEU HG 1 16 CYS H 1.800 . 5.000 5.057 4.757 5.144 0.144 2 0 "[ . 1 . 2]" 1 127 1 16 CYS H 1 16 CYS HA 1.800 . 2.900 2.940 2.867 2.989 0.089 6 0 "[ . 1 . 2]" 1 128 1 16 CYS H 1 25 GLY QA 1.800 . 3.500 3.520 3.325 3.594 0.094 13 0 "[ . 1 . 2]" 1 129 1 16 CYS HA 1 17 ARG H 1.800 . 3.500 2.877 2.185 3.572 0.072 14 0 "[ . 1 . 2]" 1 130 1 16 CYS HA 1 17 ARG QG 1.800 . 6.000 4.485 3.342 6.135 0.135 12 0 "[ . 1 . 2]" 1 131 1 16 CYS QB 1 18 VAL H 1.800 . 5.000 4.131 3.577 4.896 . 0 0 "[ . 1 . 2]" 1 132 1 16 CYS QB 1 20 ALA MB 1.800 . 5.000 2.112 1.826 3.192 . 0 0 "[ . 1 . 2]" 1 133 1 16 CYS HB2 1 17 ARG H 1.800 . 5.000 3.975 2.691 4.596 . 0 0 "[ . 1 . 2]" 1 134 1 16 CYS HB2 1 19 CYS H 1.800 . 5.000 4.635 4.071 5.019 0.019 12 0 "[ . 1 . 2]" 1 135 1 16 CYS HB2 1 20 ALA H 1.800 . 5.000 3.660 2.933 5.050 0.050 4 0 "[ . 1 . 2]" 1 136 1 16 CYS HB3 1 17 ARG H 1.800 . 5.000 3.945 2.909 4.438 . 0 0 "[ . 1 . 2]" 1 137 1 16 CYS HB3 1 19 CYS H 1.800 . 5.000 3.127 2.535 4.877 . 0 0 "[ . 1 . 2]" 1 138 1 16 CYS HB3 1 20 ALA H 1.800 . 5.000 2.346 1.783 4.182 0.017 20 0 "[ . 1 . 2]" 1 139 1 17 ARG H 1 17 ARG QB 1.800 . 3.500 2.771 2.243 2.965 . 0 0 "[ . 1 . 2]" 1 140 1 17 ARG H 1 17 ARG HG2 1.800 . 5.000 3.334 2.299 4.630 . 0 0 "[ . 1 . 2]" 1 141 1 17 ARG H 1 17 ARG HG3 1.800 . 5.000 2.898 1.756 4.715 0.044 3 0 "[ . 1 . 2]" 1 142 1 17 ARG H 1 18 VAL H 1.800 . 5.000 3.116 2.279 3.951 . 0 0 "[ . 1 . 2]" 1 143 1 17 ARG H 1 18 VAL QG 1.800 . 5.000 4.233 3.224 5.096 0.096 5 0 "[ . 1 . 2]" 1 144 1 17 ARG H 1 19 CYS H 1.800 . 5.000 4.632 4.202 5.071 0.071 3 0 "[ . 1 . 2]" 1 145 1 17 ARG H 1 25 GLY QA 1.800 . 5.000 3.142 2.048 4.549 . 0 0 "[ . 1 . 2]" 1 146 1 17 ARG HA 1 18 VAL H 1.800 . 3.500 3.536 3.491 3.566 0.066 19 0 "[ . 1 . 2]" 1 147 1 17 ARG HA 1 20 ALA MB 1.800 . 3.500 3.303 2.800 3.615 0.115 20 0 "[ . 1 . 2]" 1 148 1 17 ARG QB 1 17 ARG QD 1.800 . 3.500 2.147 2.070 2.202 . 0 0 "[ . 1 . 2]" 1 149 1 17 ARG QB 1 18 VAL H 1.800 . 3.500 2.775 1.813 3.497 . 0 0 "[ . 1 . 2]" 1 150 1 17 ARG QB 1 25 GLY H 1.800 . 5.000 4.913 4.375 5.116 0.116 2 0 "[ . 1 . 2]" 1 151 1 17 ARG HD2 1 18 VAL H 1.800 . 3.500 3.406 2.591 3.674 0.174 5 0 "[ . 1 . 2]" 1 152 1 17 ARG HD3 1 18 VAL H 1.800 . 3.500 3.331 2.568 3.636 0.136 18 0 "[ . 1 . 2]" 1 153 1 17 ARG HG2 1 18 VAL H 1.800 . 5.000 3.831 3.252 4.851 . 0 0 "[ . 1 . 2]" 1 154 1 17 ARG HG2 1 25 GLY QA 1.800 . 5.000 4.578 3.814 5.076 0.076 17 0 "[ . 1 . 2]" 1 155 1 17 ARG HG3 1 18 VAL H 1.800 . 5.000 3.166 1.752 4.779 0.048 7 0 "[ . 1 . 2]" 1 156 1 17 ARG HG3 1 25 GLY QA 1.800 . 5.000 4.230 2.788 5.018 0.018 10 0 "[ . 1 . 2]" 1 157 1 18 VAL H 1 18 VAL HA 1.800 . 2.900 2.886 2.817 2.932 0.032 20 0 "[ . 1 . 2]" 1 158 1 18 VAL H 1 18 VAL HB 1.800 . 3.500 2.682 2.314 3.638 0.138 6 0 "[ . 1 . 2]" 1 159 1 18 VAL H 1 18 VAL MG1 1.800 . 5.000 3.383 1.697 3.755 0.103 20 0 "[ . 1 . 2]" 1 160 1 18 VAL H 1 18 VAL MG2 1.800 . 5.000 2.266 1.741 3.698 0.059 11 0 "[ . 1 . 2]" 1 161 1 18 VAL H 1 19 CYS H 1.800 . 2.900 2.740 2.570 2.911 0.011 4 0 "[ . 1 . 2]" 1 162 1 18 VAL H 1 20 ALA H 1.800 . 3.500 3.578 3.542 3.637 0.137 7 0 "[ . 1 . 2]" 1 163 1 18 VAL HA 1 18 VAL MG1 1.800 . 3.500 2.411 2.126 3.184 . 0 0 "[ . 1 . 2]" 1 164 1 18 VAL HA 1 18 VAL MG2 1.800 . 3.500 2.459 2.226 3.203 . 0 0 "[ . 1 . 2]" 1 165 1 18 VAL HA 1 19 CYS H 1.800 . 3.500 3.564 3.543 3.577 0.077 6 0 "[ . 1 . 2]" 1 166 1 18 VAL HA 1 20 ALA H 1.800 . 5.000 4.292 4.086 4.519 . 0 0 "[ . 1 . 2]" 1 167 1 18 VAL HA 1 41 MET ME 1.800 . 2.900 2.957 2.860 2.996 0.096 9 0 "[ . 1 . 2]" 1 168 1 18 VAL HB 1 19 CYS H 1.800 . 3.500 2.471 1.924 3.680 0.180 20 0 "[ . 1 . 2]" 1 169 1 18 VAL QG 1 41 MET QG 1.800 . 5.000 4.225 2.838 5.052 0.052 17 0 "[ . 1 . 2]" 1 170 1 18 VAL MG1 1 19 CYS H 1.800 . 3.500 3.058 1.702 3.610 0.110 6 0 "[ . 1 . 2]" 1 171 1 18 VAL MG1 1 41 MET ME 1.800 . 5.000 3.854 3.046 4.944 . 0 0 "[ . 1 . 2]" 1 172 1 18 VAL MG2 1 19 CYS H 1.800 . 3.500 3.293 1.665 3.665 0.165 16 0 "[ . 1 . 2]" 1 173 1 18 VAL MG2 1 41 MET ME 1.800 . 5.000 3.978 3.042 4.941 . 0 0 "[ . 1 . 2]" 1 174 1 19 CYS H 1 19 CYS HA 1.800 . 2.900 2.889 2.818 2.966 0.066 4 0 "[ . 1 . 2]" 1 175 1 19 CYS H 1 19 CYS HB2 1.800 . 3.500 2.974 2.467 3.236 . 0 0 "[ . 1 . 2]" 1 176 1 19 CYS H 1 19 CYS HB3 1.800 . 3.500 3.541 3.437 3.628 0.128 6 0 "[ . 1 . 2]" 1 177 1 19 CYS H 1 20 ALA H 1.800 . 2.900 2.509 2.183 2.744 . 0 0 "[ . 1 . 2]" 1 178 1 19 CYS H 1 20 ALA MB 1.800 . 5.000 4.300 3.884 4.619 . 0 0 "[ . 1 . 2]" 1 179 1 19 CYS HA 1 20 ALA H 1.800 . 3.500 3.472 3.324 3.532 0.032 20 0 "[ . 1 . 2]" 1 180 1 19 CYS QB 1 20 ALA MB 1.800 . 5.000 3.566 3.322 3.849 . 0 0 "[ . 1 . 2]" 1 181 1 19 CYS HB2 1 20 ALA H 1.800 . 5.000 3.068 2.770 3.618 . 0 0 "[ . 1 . 2]" 1 182 1 19 CYS HB3 1 20 ALA H 1.800 . 5.000 4.199 3.797 4.510 . 0 0 "[ . 1 . 2]" 1 183 1 20 ALA H 1 20 ALA HA 1.800 . 2.900 2.986 2.971 3.002 0.102 7 0 "[ . 1 . 2]" 1 184 1 20 ALA H 1 20 ALA MB 1.800 . 2.900 2.380 2.231 2.516 . 0 0 "[ . 1 . 2]" 1 185 1 20 ALA H 1 25 GLY QA 1.800 . 5.000 4.501 3.831 5.053 0.053 20 0 "[ . 1 . 2]" 1 186 1 20 ALA HA 1 21 CYS H 1.800 . 2.900 2.492 2.346 2.524 . 0 0 "[ . 1 . 2]" 1 187 1 20 ALA MB 1 21 CYS H 1.800 . 2.900 2.417 2.302 2.727 . 0 0 "[ . 1 . 2]" 1 188 1 20 ALA MB 1 26 GLY H 1.800 . 5.000 2.909 1.771 3.868 0.029 13 0 "[ . 1 . 2]" 1 189 1 21 CYS H 1 21 CYS HA 1.800 . 2.900 2.794 2.750 2.861 . 0 0 "[ . 1 . 2]" 1 190 1 21 CYS H 1 21 CYS HB2 1.800 . 3.500 3.534 3.465 3.609 0.109 2 0 "[ . 1 . 2]" 1 191 1 21 CYS H 1 21 CYS HB3 1.800 . 3.500 2.767 2.183 3.173 . 0 0 "[ . 1 . 2]" 1 192 1 21 CYS H 1 25 GLY QA 1.800 . 5.000 4.575 2.497 5.107 0.107 1 0 "[ . 1 . 2]" 1 193 1 21 CYS H 1 26 GLY H 1.800 . 5.000 4.168 3.706 5.001 0.001 18 0 "[ . 1 . 2]" 1 194 1 21 CYS H 1 26 GLY QA 1.800 . 5.000 4.551 3.494 5.108 0.108 19 0 "[ . 1 . 2]" 1 195 1 21 CYS HA 1 22 HIS H 1.800 . 3.500 2.188 2.158 2.230 . 0 0 "[ . 1 . 2]" 1 196 1 21 CYS HA 1 22 HIS QB 1.800 . 5.000 4.142 4.077 4.488 . 0 0 "[ . 1 . 2]" 1 197 1 21 CYS QB 1 42 ALA MB 1.800 . 5.000 2.926 2.249 4.061 . 0 0 "[ . 1 . 2]" 1 198 1 21 CYS HB2 1 22 HIS H 1.800 . 5.000 3.385 3.146 3.670 . 0 0 "[ . 1 . 2]" 1 199 1 21 CYS HB2 1 23 LEU H 1.800 . 6.000 3.426 2.271 5.085 . 0 0 "[ . 1 . 2]" 1 200 1 21 CYS HB3 1 22 HIS H 1.800 . 5.000 4.034 3.608 4.516 . 0 0 "[ . 1 . 2]" 1 201 1 21 CYS HB3 1 23 LEU H 1.800 . 6.000 4.693 3.730 5.747 . 0 0 "[ . 1 . 2]" 1 202 1 22 HIS H 1 22 HIS HA 1.800 . 2.900 2.863 2.798 2.917 0.017 20 0 "[ . 1 . 2]" 1 203 1 22 HIS H 1 22 HIS HB2 1.800 . 3.500 2.682 2.437 3.589 0.089 8 0 "[ . 1 . 2]" 1 204 1 22 HIS H 1 22 HIS HB3 1.800 . 3.500 2.529 2.188 2.666 . 0 0 "[ . 1 . 2]" 1 205 1 22 HIS H 1 23 LEU H 1.800 . 5.000 3.286 2.583 4.073 . 0 0 "[ . 1 . 2]" 1 206 1 22 HIS H 1 42 ALA MB 1.800 . 5.000 4.209 3.899 4.571 . 0 0 "[ . 1 . 2]" 1 207 1 22 HIS HA 1 23 LEU H 1.800 . 5.000 2.980 2.313 3.503 . 0 0 "[ . 1 . 2]" 1 208 1 22 HIS QB 1 42 ALA H 1.800 . 5.000 4.981 4.399 5.120 0.120 9 0 "[ . 1 . 2]" 1 209 1 22 HIS HB2 1 22 HIS HD1 1.800 . 2.900 2.724 2.540 2.894 . 0 0 "[ . 1 . 2]" 1 210 1 22 HIS HB2 1 23 LEU H 1.800 . 5.000 4.379 3.986 4.692 . 0 0 "[ . 1 . 2]" 1 211 1 22 HIS HB2 1 23 LEU MD1 1.800 . 6.000 5.550 3.992 6.244 0.244 9 0 "[ . 1 . 2]" 1 212 1 22 HIS HB3 1 22 HIS HD1 1.800 . 2.900 2.697 2.534 2.788 . 0 0 "[ . 1 . 2]" 1 213 1 22 HIS HB3 1 23 LEU H 1.800 . 5.000 3.808 2.928 4.610 . 0 0 "[ . 1 . 2]" 1 214 1 22 HIS HB3 1 23 LEU MD1 1.800 . 6.000 4.476 2.514 6.154 0.154 17 0 "[ . 1 . 2]" 1 215 1 23 LEU H 1 23 LEU QD 1.800 . 5.000 3.384 1.794 4.113 0.006 19 0 "[ . 1 . 2]" 1 216 1 23 LEU H 1 23 LEU HG 1.800 . 5.000 4.126 2.990 4.750 . 0 0 "[ . 1 . 2]" 1 217 1 23 LEU H 1 24 CYS H 1.800 . 2.900 2.735 2.563 2.959 0.059 16 0 "[ . 1 . 2]" 1 218 1 23 LEU H 1 24 CYS HA 1.800 . 5.000 5.003 4.569 5.278 0.278 3 0 "[ . 1 . 2]" 1 219 1 23 LEU H 1 24 CYS QB 1.800 . 5.000 4.835 4.457 5.115 0.115 11 0 "[ . 1 . 2]" 1 220 1 23 LEU H 1 25 GLY H 1.800 . 3.500 3.194 2.483 3.652 0.152 1 0 "[ . 1 . 2]" 1 221 1 23 LEU H 1 25 GLY QA 1.800 . 5.000 4.323 3.527 5.079 0.079 13 0 "[ . 1 . 2]" 1 222 1 23 LEU HA 1 23 LEU QD 1.800 . 2.900 2.279 2.067 2.702 . 0 0 "[ . 1 . 2]" 1 223 1 23 LEU HA 1 23 LEU HG 1.800 . 3.500 2.519 2.268 2.858 . 0 0 "[ . 1 . 2]" 1 224 1 23 LEU HA 1 24 CYS H 1.800 . 3.500 3.550 3.530 3.568 0.068 12 0 "[ . 1 . 2]" 1 225 1 23 LEU HA 1 25 GLY H 1.800 . 5.000 4.803 4.538 5.038 0.038 4 0 "[ . 1 . 2]" 1 226 1 23 LEU QB 1 24 CYS H 1.800 . 3.500 2.147 1.770 2.616 0.030 18 0 "[ . 1 . 2]" 1 227 1 23 LEU QB 1 44 HIS H 1.800 . 6.000 5.674 4.797 6.106 0.106 2 0 "[ . 1 . 2]" 1 228 1 23 LEU HB2 1 23 LEU MD1 1.800 . 3.500 2.194 2.168 2.217 . 0 0 "[ . 1 . 2]" 1 229 1 23 LEU HB2 1 23 LEU MD2 1.800 . 3.500 2.651 2.331 3.174 . 0 0 "[ . 1 . 2]" 1 230 1 23 LEU QD 1 24 CYS H 1.800 . 5.000 3.585 3.327 3.853 . 0 0 "[ . 1 . 2]" 1 231 1 23 LEU QD 1 44 HIS H 1.800 . 5.000 4.555 2.969 5.165 0.165 18 0 "[ . 1 . 2]" 1 232 1 23 LEU QD 1 47 CYS HB2 1.800 . 6.000 4.621 4.145 5.780 . 0 0 "[ . 1 . 2]" 1 233 1 23 LEU QD 1 47 CYS HB3 1.800 . 5.000 4.171 3.584 4.887 . 0 0 "[ . 1 . 2]" 1 234 1 23 LEU QD 1 48 LEU H 1.800 . 6.000 5.660 5.170 6.166 0.166 3 0 "[ . 1 . 2]" 1 235 1 23 LEU QD 1 48 LEU HA 1.800 . 5.000 5.091 5.021 5.138 0.138 3 0 "[ . 1 . 2]" 1 236 1 24 CYS H 1 24 CYS HA 1.800 . 2.900 2.926 2.820 2.974 0.074 2 0 "[ . 1 . 2]" 1 237 1 24 CYS H 1 25 GLY H 1.800 . 2.900 2.296 1.754 2.803 0.046 4 0 "[ . 1 . 2]" 1 238 1 24 CYS H 1 25 GLY QA 1.800 . 5.000 4.239 3.763 4.623 . 0 0 "[ . 1 . 2]" 1 239 1 24 CYS H 1 26 GLY H 1.800 . 5.000 4.058 3.466 4.473 . 0 0 "[ . 1 . 2]" 1 240 1 24 CYS HA 1 25 GLY H 1.800 . 3.500 3.510 3.458 3.561 0.061 16 0 "[ . 1 . 2]" 1 241 1 24 CYS HA 1 26 GLY H 1.800 . 5.000 4.568 4.171 5.062 0.062 1 0 "[ . 1 . 2]" 1 242 1 24 CYS QB 1 25 GLY H 1.800 . 3.500 3.032 2.456 3.600 0.100 5 0 "[ . 1 . 2]" 1 243 1 24 CYS HB2 1 26 GLY H 1.800 . 5.000 3.137 2.196 4.408 . 0 0 "[ . 1 . 2]" 1 244 1 24 CYS HB3 1 26 GLY H 1.800 . 5.000 3.869 2.933 4.748 . 0 0 "[ . 1 . 2]" 1 245 1 25 GLY H 1 26 GLY H 1.800 . 2.900 2.459 2.250 2.917 0.017 13 0 "[ . 1 . 2]" 1 246 1 25 GLY H 1 26 GLY QA 1.800 . 5.000 4.413 4.209 4.807 . 0 0 "[ . 1 . 2]" 1 247 1 25 GLY QA 1 26 GLY H 1.800 . 2.900 2.860 2.614 2.937 0.037 6 0 "[ . 1 . 2]" 1 248 1 26 GLY H 1 27 ARG H 1.800 . 5.000 3.946 2.284 4.597 . 0 0 "[ . 1 . 2]" 1 249 1 26 GLY H 1 28 GLN H 1.800 . 5.000 4.847 3.701 5.214 0.214 19 0 "[ . 1 . 2]" 1 250 1 26 GLY QA 1 27 ARG H 1.800 . 2.900 2.390 2.154 2.934 0.034 2 0 "[ . 1 . 2]" 1 251 1 26 GLY QA 1 28 GLN H 1.800 . 3.500 3.309 2.766 3.541 0.041 16 0 "[ . 1 . 2]" 1 252 1 27 ARG H 1 27 ARG HA 1.800 . 2.900 2.646 2.342 2.978 0.078 6 0 "[ . 1 . 2]" 1 253 1 27 ARG H 1 27 ARG QB 1.800 . 3.500 2.690 2.265 3.344 . 0 0 "[ . 1 . 2]" 1 254 1 27 ARG H 1 27 ARG QD 1.800 . 5.000 4.517 3.742 5.044 0.044 15 0 "[ . 1 . 2]" 1 255 1 27 ARG H 1 27 ARG HG2 1.800 . 5.000 3.989 3.235 4.832 . 0 0 "[ . 1 . 2]" 1 256 1 27 ARG H 1 27 ARG HG3 1.800 . 5.000 3.473 2.091 4.431 . 0 0 "[ . 1 . 2]" 1 257 1 27 ARG H 1 28 GLN H 1.800 . 2.900 2.763 2.592 2.900 . 13 0 "[ . 1 . 2]" 1 258 1 27 ARG H 1 28 GLN QB 1.800 . 5.000 4.837 4.436 5.153 0.153 8 0 "[ . 1 . 2]" 1 259 1 27 ARG HA 1 27 ARG HG2 1.800 . 3.500 2.679 2.414 2.975 . 0 0 "[ . 1 . 2]" 1 260 1 27 ARG HA 1 27 ARG HG3 1.800 . 3.500 2.765 2.350 3.107 . 0 0 "[ . 1 . 2]" 1 261 1 27 ARG QB 1 27 ARG QD 1.800 . 2.900 2.211 2.126 2.348 . 0 0 "[ . 1 . 2]" 1 262 1 27 ARG QB 1 28 GLN H 1.800 . 5.000 3.250 2.627 3.944 . 0 0 "[ . 1 . 2]" 1 263 1 27 ARG HG2 1 28 GLN H 1.800 . 5.000 4.620 3.879 5.083 0.083 5 0 "[ . 1 . 2]" 1 264 1 27 ARG HG3 1 28 GLN H 1.800 . 5.000 4.801 4.289 5.122 0.122 4 0 "[ . 1 . 2]" 1 265 1 28 GLN H 1 28 GLN HA 1.800 . 2.900 2.781 2.362 2.978 0.078 16 0 "[ . 1 . 2]" 1 266 1 28 GLN H 1 28 GLN QG 1.800 . 5.000 2.937 1.974 4.361 . 0 0 "[ . 1 . 2]" 1 267 1 28 GLN HA 1 29 ASP H 1.800 . 3.500 3.024 2.464 3.553 0.053 4 0 "[ . 1 . 2]" 1 268 1 28 GLN HB2 1 29 ASP H 1.800 . 3.500 2.604 1.731 3.611 0.111 7 0 "[ . 1 . 2]" 1 269 1 28 GLN HB3 1 29 ASP H 1.800 . 3.500 2.320 1.756 3.716 0.216 16 0 "[ . 1 . 2]" 1 270 1 28 GLN QG 1 29 ASP H 1.800 . 3.500 3.167 1.753 3.705 0.205 8 0 "[ . 1 . 2]" 1 271 1 28 GLN QG 1 46 TYR QD 1.800 . 5.000 4.607 3.654 5.101 0.101 12 0 "[ . 1 . 2]" 1 272 1 29 ASP H 1 29 ASP HA 1.800 . 2.900 2.978 2.875 2.988 0.088 1 0 "[ . 1 . 2]" 1 273 1 29 ASP H 1 29 ASP HB2 1.800 . 3.500 2.455 2.111 2.629 . 0 0 "[ . 1 . 2]" 1 274 1 29 ASP H 1 29 ASP HB3 1.800 . 3.500 3.589 3.411 3.684 0.184 4 0 "[ . 1 . 2]" 1 275 1 29 ASP H 1 30 PRO HD2 1.800 . 5.000 4.677 4.464 4.975 . 0 0 "[ . 1 . 2]" 1 276 1 29 ASP H 1 30 PRO HD3 1.800 . 5.000 3.639 3.303 4.874 . 0 0 "[ . 1 . 2]" 1 277 1 29 ASP H 1 32 LYS H 1.800 . 5.000 4.912 4.753 4.999 . 0 0 "[ . 1 . 2]" 1 278 1 29 ASP QB 1 32 LYS H 1.800 . 2.900 2.722 2.627 2.798 . 0 0 "[ . 1 . 2]" 1 279 1 29 ASP HB2 1 32 LYS QB 1.800 . 3.500 3.517 3.429 3.552 0.052 17 0 "[ . 1 . 2]" 1 280 1 29 ASP HB3 1 31 ASP H 1.800 . 2.900 3.005 2.914 3.042 0.142 18 0 "[ . 1 . 2]" 1 281 1 29 ASP HB3 1 32 LYS QB 1.800 . 3.500 3.483 3.370 3.611 0.111 12 0 "[ . 1 . 2]" 1 282 1 30 PRO HA 1 30 PRO QG 1.800 . 3.500 2.992 2.951 3.504 0.004 5 0 "[ . 1 . 2]" 1 283 1 30 PRO HA 1 31 ASP H 1.800 . 3.500 3.465 3.442 3.518 0.018 5 0 "[ . 1 . 2]" 1 284 1 30 PRO HA 1 32 LYS H 1.800 . 5.000 3.998 3.874 4.063 . 0 0 "[ . 1 . 2]" 1 285 1 30 PRO HA 1 33 GLN H 1.800 . 5.000 3.363 3.222 3.779 . 0 0 "[ . 1 . 2]" 1 286 1 30 PRO HB2 1 31 ASP H 1.800 . 3.500 3.248 3.183 3.397 . 0 0 "[ . 1 . 2]" 1 287 1 30 PRO HB3 1 31 ASP H 1.800 . 5.000 4.356 4.248 4.388 . 0 0 "[ . 1 . 2]" 1 288 1 30 PRO HD2 1 31 ASP H 1.800 . 5.000 3.020 2.722 3.070 . 0 0 "[ . 1 . 2]" 1 289 1 30 PRO HD3 1 31 ASP H 1.800 . 5.000 4.057 3.926 4.095 . 0 0 "[ . 1 . 2]" 1 290 1 30 PRO QG 1 31 ASP H 1.800 . 5.000 4.032 2.690 4.128 . 0 0 "[ . 1 . 2]" 1 291 1 31 ASP H 1 31 ASP HA 1.800 . 2.900 2.893 2.864 2.899 . 0 0 "[ . 1 . 2]" 1 292 1 31 ASP H 1 31 ASP QB 1.800 . 2.900 2.386 2.280 2.413 . 0 0 "[ . 1 . 2]" 1 293 1 31 ASP H 1 32 LYS H 1.800 . 2.900 2.516 2.475 2.606 . 0 0 "[ . 1 . 2]" 1 294 1 31 ASP H 1 32 LYS QB 1.800 . 5.000 4.672 4.563 4.750 . 0 0 "[ . 1 . 2]" 1 295 1 31 ASP H 1 32 LYS HG2 1.800 . 5.000 5.140 5.098 5.212 0.212 4 0 "[ . 1 . 2]" 1 296 1 31 ASP H 1 32 LYS HG3 1.800 . 5.000 4.027 3.874 4.298 . 0 0 "[ . 1 . 2]" 1 297 1 31 ASP H 1 33 GLN H 1.800 . 5.000 3.883 3.806 4.107 . 0 0 "[ . 1 . 2]" 1 298 1 31 ASP HA 1 32 LYS H 1.800 . 3.500 3.505 3.471 3.521 0.021 15 0 "[ . 1 . 2]" 1 299 1 31 ASP QB 1 32 LYS H 1.800 . 2.900 2.762 2.741 2.850 . 0 0 "[ . 1 . 2]" 1 300 1 31 ASP QB 1 33 GLN H 1.800 . 5.000 4.430 4.377 4.484 . 0 0 "[ . 1 . 2]" 1 301 1 32 LYS H 1 32 LYS HA 1.800 . 2.900 2.944 2.929 2.957 0.057 15 0 "[ . 1 . 2]" 1 302 1 32 LYS H 1 32 LYS HB2 1.800 . 3.500 2.532 2.463 2.576 . 0 0 "[ . 1 . 2]" 1 303 1 32 LYS H 1 32 LYS HB3 1.800 . 3.500 3.638 3.612 3.670 0.170 15 0 "[ . 1 . 2]" 1 304 1 32 LYS H 1 32 LYS QE 1.800 . 5.000 4.561 3.806 5.023 0.023 8 0 "[ . 1 . 2]" 1 305 1 32 LYS H 1 32 LYS HG2 1.800 . 3.500 3.170 3.043 3.288 . 0 0 "[ . 1 . 2]" 1 306 1 32 LYS H 1 32 LYS HG3 1.800 . 3.500 2.311 2.166 2.560 . 0 0 "[ . 1 . 2]" 1 307 1 32 LYS H 1 33 GLN H 1.800 . 2.900 2.475 2.407 2.661 . 0 0 "[ . 1 . 2]" 1 308 1 32 LYS H 1 33 GLN HA 1.800 . 5.000 4.944 4.863 5.017 0.017 5 0 "[ . 1 . 2]" 1 309 1 32 LYS H 1 33 GLN QG 1.800 . 3.500 3.482 3.339 3.564 0.064 19 0 "[ . 1 . 2]" 1 310 1 32 LYS HA 1 33 GLN H 1.800 . 3.500 3.250 3.183 3.290 . 0 0 "[ . 1 . 2]" 1 311 1 32 LYS QB 1 33 GLN H 1.800 . 5.000 3.448 3.370 3.560 . 0 0 "[ . 1 . 2]" 1 312 1 32 LYS HB2 1 45 ILE MD 1.800 . 5.000 4.828 3.919 5.074 0.074 9 0 "[ . 1 . 2]" 1 313 1 32 LYS HB3 1 45 ILE MD 1.800 . 5.000 4.183 3.803 4.496 . 0 0 "[ . 1 . 2]" 1 314 1 32 LYS QE 1 32 LYS HG2 1.800 . 3.500 2.481 2.222 3.317 . 0 0 "[ . 1 . 2]" 1 315 1 32 LYS QE 1 32 LYS HG3 1.800 . 3.500 3.114 2.269 3.530 0.030 8 0 "[ . 1 . 2]" 1 316 1 32 LYS QE 1 45 ILE MD 1.800 . 5.000 4.979 4.722 5.075 0.075 3 0 "[ . 1 . 2]" 1 317 1 33 GLN H 1 33 GLN HA 1.800 . 2.900 2.964 2.946 2.974 0.074 19 0 "[ . 1 . 2]" 1 318 1 33 GLN H 1 33 GLN HB2 1.800 . 3.500 2.450 2.384 2.487 . 0 0 "[ . 1 . 2]" 1 319 1 33 GLN H 1 33 GLN HB3 1.800 . 3.500 3.660 3.622 3.684 0.184 20 0 "[ . 1 . 2]" 1 320 1 33 GLN H 1 33 GLN HG2 1.800 . 5.000 3.806 3.712 3.962 . 0 0 "[ . 1 . 2]" 1 321 1 33 GLN H 1 33 GLN HG3 1.800 . 5.000 2.636 2.523 2.806 . 0 0 "[ . 1 . 2]" 1 322 1 33 GLN H 1 34 LEU H 1.800 . 5.000 4.572 4.540 4.607 . 0 0 "[ . 1 . 2]" 1 323 1 33 GLN HA 1 34 LEU H 1.800 . 3.500 2.338 2.307 2.362 . 0 0 "[ . 1 . 2]" 1 324 1 33 GLN HA 1 44 HIS HA 1.800 . 6.000 5.523 4.991 6.073 0.073 18 0 "[ . 1 . 2]" 1 325 1 33 GLN HB2 1 34 LEU H 1.800 . 5.000 3.863 3.813 3.932 . 0 0 "[ . 1 . 2]" 1 326 1 33 GLN HB3 1 34 LEU H 1.800 . 5.000 2.743 2.704 2.813 . 0 0 "[ . 1 . 2]" 1 327 1 33 GLN QG 1 34 LEU H 1.800 . 5.000 3.920 3.830 3.990 . 0 0 "[ . 1 . 2]" 1 328 1 33 GLN QG 1 44 HIS HA 1.800 . 6.000 4.139 3.800 4.331 . 0 0 "[ . 1 . 2]" 1 329 1 33 GLN QG 1 44 HIS QB 1.800 . 6.000 5.933 5.607 6.105 0.105 19 0 "[ . 1 . 2]" 1 330 1 34 LEU H 1 34 LEU HA 1.800 . 2.900 2.980 2.976 2.982 0.082 18 0 "[ . 1 . 2]" 1 331 1 34 LEU H 1 34 LEU MD1 1.800 . 5.000 3.043 1.856 4.260 . 0 0 "[ . 1 . 2]" 1 332 1 34 LEU H 1 34 LEU MD2 1.800 . 5.000 3.110 2.055 4.432 . 0 0 "[ . 1 . 2]" 1 333 1 34 LEU H 1 34 LEU HG 1.800 . 5.000 2.936 1.765 4.491 0.035 18 0 "[ . 1 . 2]" 1 334 1 34 LEU H 1 35 MET QG 1.800 . 5.000 4.906 4.579 5.049 0.049 16 0 "[ . 1 . 2]" 1 335 1 34 LEU H 1 43 PHE QB 1.800 . 5.000 3.464 2.880 4.185 . 0 0 "[ . 1 . 2]" 1 336 1 34 LEU HA 1 34 LEU MD1 1.800 . 5.000 3.333 2.206 4.060 . 0 0 "[ . 1 . 2]" 1 337 1 34 LEU HA 1 34 LEU MD2 1.800 . 5.000 3.133 2.322 3.735 . 0 0 "[ . 1 . 2]" 1 338 1 34 LEU HA 1 35 MET H 1.800 . 2.900 2.235 2.205 2.259 . 0 0 "[ . 1 . 2]" 1 339 1 34 LEU QB 1 43 PHE QB 1.800 . 5.000 3.293 2.334 4.639 . 0 0 "[ . 1 . 2]" 1 340 1 34 LEU HB2 1 34 LEU MD1 1.800 . 3.500 2.270 2.114 2.450 . 0 0 "[ . 1 . 2]" 1 341 1 34 LEU HB2 1 34 LEU MD2 1.800 . 3.500 2.827 2.358 3.184 . 0 0 "[ . 1 . 2]" 1 342 1 34 LEU HB2 1 35 MET H 1.800 . 5.000 3.834 3.336 4.433 . 0 0 "[ . 1 . 2]" 1 343 1 34 LEU HB3 1 34 LEU MD1 1.800 . 3.500 2.760 2.242 3.200 . 0 0 "[ . 1 . 2]" 1 344 1 34 LEU HB3 1 34 LEU MD2 1.800 . 3.500 2.256 2.112 2.344 . 0 0 "[ . 1 . 2]" 1 345 1 34 LEU HB3 1 35 MET H 1.800 . 5.000 3.431 3.108 3.990 . 0 0 "[ . 1 . 2]" 1 346 1 34 LEU QD 1 45 ILE MD 1.800 . 5.000 2.051 1.825 2.776 . 0 0 "[ . 1 . 2]" 1 347 1 34 LEU QD 1 52 LEU QD 1.800 . 5.000 3.419 3.010 3.884 . 0 0 "[ . 1 . 2]" 1 348 1 34 LEU QD 1 55 VAL H 1.800 . 5.000 3.830 3.408 4.421 . 0 0 "[ . 1 . 2]" 1 349 1 34 LEU MD1 1 35 MET H 1.800 . 5.000 4.708 3.573 5.088 0.088 8 0 "[ . 1 . 2]" 1 350 1 34 LEU MD1 1 45 ILE HA 1.800 . 6.000 5.494 5.146 6.143 0.143 5 0 "[ . 1 . 2]" 1 351 1 34 LEU MD1 1 45 ILE MG 1.800 . 5.000 2.817 2.162 3.673 . 0 0 "[ . 1 . 2]" 1 352 1 34 LEU MD1 1 55 VAL MG1 1.800 . 5.000 3.173 1.962 4.476 . 0 0 "[ . 1 . 2]" 1 353 1 34 LEU MD1 1 55 VAL MG2 1.800 . 6.000 3.289 2.060 4.379 . 0 0 "[ . 1 . 2]" 1 354 1 34 LEU MD1 1 56 PRO QD 1.800 . 3.500 2.698 1.979 3.567 0.067 12 0 "[ . 1 . 2]" 1 355 1 34 LEU MD1 1 56 PRO QG 1.800 . 5.000 3.917 2.225 5.018 0.018 4 0 "[ . 1 . 2]" 1 356 1 34 LEU MD2 1 35 MET H 1.800 . 5.000 4.526 3.751 4.904 . 0 0 "[ . 1 . 2]" 1 357 1 34 LEU MD2 1 45 ILE HA 1.800 . 6.000 5.873 5.571 6.129 0.129 12 0 "[ . 1 . 2]" 1 358 1 34 LEU MD2 1 45 ILE MG 1.800 . 3.500 3.286 2.727 3.559 0.059 14 0 "[ . 1 . 2]" 1 359 1 34 LEU MD2 1 55 VAL QG 1.800 . 5.000 2.631 2.097 4.167 . 0 0 "[ . 1 . 2]" 1 360 1 34 LEU MD2 1 56 PRO QD 1.800 . 3.500 2.788 1.976 3.513 0.013 2 0 "[ . 1 . 2]" 1 361 1 34 LEU MD2 1 56 PRO QG 1.800 . 5.000 4.082 2.200 5.016 0.016 18 0 "[ . 1 . 2]" 1 362 1 34 LEU HG 1 35 MET H 1.800 . 5.000 4.397 2.368 5.148 0.148 1 0 "[ . 1 . 2]" 1 363 1 35 MET H 1 35 MET QB 1.800 . 3.500 2.428 2.391 2.509 . 0 0 "[ . 1 . 2]" 1 364 1 35 MET H 1 35 MET QG 1.800 . 3.500 2.694 2.599 2.784 . 0 0 "[ . 1 . 2]" 1 365 1 35 MET H 1 36 CYS H 1.800 . 5.000 4.557 4.538 4.571 . 0 0 "[ . 1 . 2]" 1 366 1 35 MET HA 1 35 MET ME 1.800 . 5.000 3.326 2.682 4.153 . 0 0 "[ . 1 . 2]" 1 367 1 35 MET HA 1 35 MET QG 1.800 . 3.500 2.477 2.268 2.864 . 0 0 "[ . 1 . 2]" 1 368 1 35 MET HA 1 36 CYS H 1.800 . 2.900 2.236 2.210 2.266 . 0 0 "[ . 1 . 2]" 1 369 1 35 MET HA 1 42 ALA HA 1.800 . 2.900 2.468 2.283 2.602 . 0 0 "[ . 1 . 2]" 1 370 1 35 MET HA 1 43 PHE H 1.800 . 5.000 4.057 3.675 4.224 . 0 0 "[ . 1 . 2]" 1 371 1 35 MET QB 1 36 CYS H 1.800 . 2.900 2.944 2.909 2.975 0.075 7 0 "[ . 1 . 2]" 1 372 1 35 MET ME 1 37 ASP HA 1.800 . 5.000 4.993 4.762 5.068 0.068 7 0 "[ . 1 . 2]" 1 373 1 35 MET ME 1 40 ASP HA 1.800 . 2.900 2.847 2.534 3.019 0.119 18 0 "[ . 1 . 2]" 1 374 1 35 MET ME 1 40 ASP QB 1.800 . 5.000 3.092 2.686 3.351 . 0 0 "[ . 1 . 2]" 1 375 1 35 MET QG 1 36 CYS H 1.800 . 5.000 4.149 3.904 4.513 . 0 0 "[ . 1 . 2]" 1 376 1 35 MET QG 1 42 ALA MB 1.800 . 5.000 3.148 2.329 3.750 . 0 0 "[ . 1 . 2]" 1 377 1 36 CYS H 1 36 CYS HA 1.800 . 2.900 2.967 2.929 2.981 0.081 8 0 "[ . 1 . 2]" 1 378 1 36 CYS H 1 36 CYS HB2 1.800 . 3.500 3.168 2.824 3.391 . 0 0 "[ . 1 . 2]" 1 379 1 36 CYS H 1 36 CYS HB3 1.800 . 3.500 2.350 2.194 2.459 . 0 0 "[ . 1 . 2]" 1 380 1 36 CYS H 1 40 ASP H 1.800 . 5.000 3.978 3.771 4.289 . 0 0 "[ . 1 . 2]" 1 381 1 36 CYS H 1 40 ASP HA 1.800 . 3.500 3.538 3.368 3.597 0.097 11 0 "[ . 1 . 2]" 1 382 1 36 CYS H 1 41 MET H 1.800 . 3.500 2.532 2.378 2.713 . 0 0 "[ . 1 . 2]" 1 383 1 36 CYS H 1 42 ALA HA 1.800 . 5.000 3.853 3.633 3.966 . 0 0 "[ . 1 . 2]" 1 384 1 36 CYS H 1 42 ALA MB 1.800 . 5.000 5.081 4.822 5.174 0.174 12 0 "[ . 1 . 2]" 1 385 1 36 CYS HA 1 37 ASP H 1.800 . 3.500 2.178 2.150 2.201 . 0 0 "[ . 1 . 2]" 1 386 1 36 CYS HA 1 63 CYS H 1.800 . 5.000 4.562 3.705 5.058 0.058 18 0 "[ . 1 . 2]" 1 387 1 36 CYS QB 1 41 MET H 1.800 . 5.000 2.695 2.149 3.110 . 0 0 "[ . 1 . 2]" 1 388 1 36 CYS HB2 1 37 ASP H 1.800 . 5.000 4.140 3.872 4.399 . 0 0 "[ . 1 . 2]" 1 389 1 36 CYS HB2 1 38 GLU H 1.800 . 5.000 4.622 4.281 4.948 . 0 0 "[ . 1 . 2]" 1 390 1 36 CYS HB2 1 61 TRP HE1 1.800 . 5.000 3.380 2.256 4.202 . 0 0 "[ . 1 . 2]" 1 391 1 36 CYS HB2 1 63 CYS H 1.800 . 5.000 2.744 2.330 2.949 . 0 0 "[ . 1 . 2]" 1 392 1 36 CYS HB3 1 37 ASP H 1.800 . 5.000 4.435 4.355 4.489 . 0 0 "[ . 1 . 2]" 1 393 1 36 CYS HB3 1 38 GLU H 1.800 . 5.000 4.529 4.276 4.671 . 0 0 "[ . 1 . 2]" 1 394 1 36 CYS HB3 1 61 TRP HE1 1.800 . 5.000 4.521 3.160 5.059 0.059 6 0 "[ . 1 . 2]" 1 395 1 36 CYS HB3 1 63 CYS H 1.800 . 5.000 3.620 3.537 3.696 . 0 0 "[ . 1 . 2]" 1 396 1 37 ASP H 1 37 ASP HA 1.800 . 2.900 2.834 2.822 2.855 . 0 0 "[ . 1 . 2]" 1 397 1 37 ASP H 1 37 ASP HB2 1.800 . 3.500 2.476 2.421 2.543 . 0 0 "[ . 1 . 2]" 1 398 1 37 ASP H 1 37 ASP HB3 1.800 . 3.500 2.606 2.516 2.690 . 0 0 "[ . 1 . 2]" 1 399 1 37 ASP H 1 38 GLU H 1.800 . 2.900 2.802 2.753 2.872 . 0 0 "[ . 1 . 2]" 1 400 1 37 ASP H 1 39 CYS H 1.800 . 5.000 4.501 4.461 4.554 . 0 0 "[ . 1 . 2]" 1 401 1 37 ASP H 1 40 ASP H 1.800 . 5.000 4.415 4.380 4.458 . 0 0 "[ . 1 . 2]" 1 402 1 37 ASP H 1 62 TYR H 1.800 . 6.000 5.882 5.175 6.150 0.150 16 0 "[ . 1 . 2]" 1 403 1 37 ASP H 1 62 TYR HA 1.800 . 5.000 4.207 3.516 4.547 . 0 0 "[ . 1 . 2]" 1 404 1 37 ASP H 1 62 TYR QE 1.800 . 5.000 4.153 3.502 4.908 . 0 0 "[ . 1 . 2]" 1 405 1 37 ASP HA 1 38 GLU H 1.800 . 3.500 3.541 3.526 3.551 0.051 12 0 "[ . 1 . 2]" 1 406 1 37 ASP HA 1 39 CYS H 1.800 . 5.000 4.501 4.116 4.756 . 0 0 "[ . 1 . 2]" 1 407 1 37 ASP HA 1 40 ASP HA 1.800 . 5.000 3.500 3.302 3.736 . 0 0 "[ . 1 . 2]" 1 408 1 37 ASP HB2 1 61 TRP H 1.800 . 5.000 4.584 4.036 4.935 . 0 0 "[ . 1 . 2]" 1 409 1 37 ASP HB3 1 61 TRP H 1.800 . 5.000 5.040 4.945 5.108 0.108 8 0 "[ . 1 . 2]" 1 410 1 38 GLU H 1 38 GLU HA 1.800 . 2.900 2.874 2.848 2.898 . 0 0 "[ . 1 . 2]" 1 411 1 38 GLU H 1 38 GLU HB2 1.800 . 2.900 2.569 2.527 2.622 . 0 0 "[ . 1 . 2]" 1 412 1 38 GLU H 1 38 GLU HB3 1.800 . 2.900 2.572 2.539 2.626 . 0 0 "[ . 1 . 2]" 1 413 1 38 GLU H 1 39 CYS H 1.800 . 3.500 2.696 2.647 2.725 . 0 0 "[ . 1 . 2]" 1 414 1 38 GLU H 1 39 CYS QB 1.800 . 5.000 5.043 4.943 5.142 0.142 3 0 "[ . 1 . 2]" 1 415 1 38 GLU H 1 40 ASP H 1.800 . 3.500 3.638 3.606 3.672 0.172 17 0 "[ . 1 . 2]" 1 416 1 38 GLU H 1 62 TYR HA 1.800 . 5.000 4.025 3.779 4.298 . 0 0 "[ . 1 . 2]" 1 417 1 38 GLU H 1 62 TYR QD 1.800 . 3.500 2.674 2.285 3.463 . 0 0 "[ . 1 . 2]" 1 418 1 38 GLU H 1 62 TYR QE 1.800 . 3.500 2.663 2.118 3.331 . 0 0 "[ . 1 . 2]" 1 419 1 38 GLU HA 1 38 GLU HG2 1.800 . 3.500 3.102 2.958 3.675 0.175 3 0 "[ . 1 . 2]" 1 420 1 38 GLU HA 1 38 GLU HG3 1.800 . 3.500 2.552 2.462 2.937 . 0 0 "[ . 1 . 2]" 1 421 1 38 GLU HA 1 39 CYS H 1.800 . 3.500 3.554 3.519 3.570 0.070 13 0 "[ . 1 . 2]" 1 422 1 38 GLU HB2 1 39 CYS H 1.800 . 5.000 3.925 3.841 4.091 . 0 0 "[ . 1 . 2]" 1 423 1 38 GLU HB2 1 62 TYR QD 1.800 . 2.900 2.539 2.255 2.951 0.051 7 0 "[ . 1 . 2]" 1 424 1 38 GLU HB2 1 62 TYR QE 1.800 . 3.500 2.291 2.246 2.408 . 0 0 "[ . 1 . 2]" 1 425 1 38 GLU HB3 1 39 CYS H 1.800 . 2.900 2.661 2.541 2.911 0.011 5 0 "[ . 1 . 2]" 1 426 1 38 GLU HB3 1 62 TYR QD 1.800 . 2.900 2.545 2.277 2.922 0.022 7 0 "[ . 1 . 2]" 1 427 1 38 GLU HB3 1 62 TYR QE 1.800 . 3.500 3.579 3.541 3.661 0.161 5 0 "[ . 1 . 2]" 1 428 1 38 GLU QG 1 39 CYS H 1.800 . 5.000 3.653 3.578 3.747 . 0 0 "[ . 1 . 2]" 1 429 1 39 CYS H 1 39 CYS HA 1.800 . 2.900 2.977 2.971 2.986 0.086 3 0 "[ . 1 . 2]" 1 430 1 39 CYS H 1 40 ASP H 1.800 . 2.900 2.026 1.819 2.175 . 0 0 "[ . 1 . 2]" 1 431 1 39 CYS HA 1 40 ASP H 1.800 . 3.500 3.368 3.266 3.425 . 0 0 "[ . 1 . 2]" 1 432 1 39 CYS HA 1 41 MET H 1.800 . 5.000 4.817 4.634 5.018 0.018 17 0 "[ . 1 . 2]" 1 433 1 39 CYS QB 1 41 MET H 1.800 . 5.000 3.221 2.644 4.335 . 0 0 "[ . 1 . 2]" 1 434 1 39 CYS HB2 1 40 ASP H 1.800 . 5.000 3.517 3.052 4.430 . 0 0 "[ . 1 . 2]" 1 435 1 39 CYS HB3 1 40 ASP H 1.800 . 5.000 4.222 4.092 4.325 . 0 0 "[ . 1 . 2]" 1 436 1 40 ASP H 1 40 ASP HA 1.800 . 2.900 2.347 2.338 2.355 . 0 0 "[ . 1 . 2]" 1 437 1 40 ASP H 1 41 MET H 1.800 . 3.500 2.820 2.753 2.931 . 0 0 "[ . 1 . 2]" 1 438 1 40 ASP HA 1 41 MET H 1.800 . 3.500 2.812 2.766 2.862 . 0 0 "[ . 1 . 2]" 1 439 1 40 ASP QB 1 41 MET H 1.800 . 5.000 3.872 3.839 3.897 . 0 0 "[ . 1 . 2]" 1 440 1 41 MET H 1 41 MET HA 1.800 . 2.900 2.979 2.970 2.987 0.087 20 0 "[ . 1 . 2]" 1 441 1 41 MET H 1 41 MET HB2 1.800 . 3.500 2.748 2.459 3.181 . 0 0 "[ . 1 . 2]" 1 442 1 41 MET H 1 41 MET HB3 1.800 . 3.500 3.332 2.650 3.778 0.278 4 0 "[ . 1 . 2]" 1 443 1 41 MET H 1 41 MET QG 1.800 . 5.000 3.410 2.864 4.119 . 0 0 "[ . 1 . 2]" 1 444 1 41 MET H 1 42 ALA H 1.800 . 5.000 4.500 4.458 4.559 . 0 0 "[ . 1 . 2]" 1 445 1 41 MET H 1 42 ALA HA 1.800 . 5.000 4.864 4.743 4.991 . 0 0 "[ . 1 . 2]" 1 446 1 41 MET HA 1 41 MET ME 1.800 . 5.000 3.378 2.343 3.760 . 0 0 "[ . 1 . 2]" 1 447 1 41 MET HA 1 41 MET HG2 1.800 . 3.500 2.702 2.243 3.320 . 0 0 "[ . 1 . 2]" 1 448 1 41 MET HA 1 41 MET HG3 1.800 . 3.500 2.889 2.251 3.674 0.174 10 0 "[ . 1 . 2]" 1 449 1 41 MET HA 1 42 ALA H 1.800 . 3.500 2.434 2.321 2.531 . 0 0 "[ . 1 . 2]" 1 450 1 41 MET QB 1 41 MET ME 1.800 . 2.900 2.194 2.074 2.624 . 0 0 "[ . 1 . 2]" 1 451 1 41 MET HB2 1 42 ALA H 1.800 . 5.000 3.837 3.572 4.045 . 0 0 "[ . 1 . 2]" 1 452 1 41 MET HB3 1 42 ALA H 1.800 . 5.000 2.979 2.403 3.821 . 0 0 "[ . 1 . 2]" 1 453 1 41 MET ME 1 41 MET QG 1.800 . 2.900 2.201 2.163 2.308 . 0 0 "[ . 1 . 2]" 1 454 1 42 ALA H 1 42 ALA HA 1.800 . 2.900 2.964 2.954 2.978 0.078 3 0 "[ . 1 . 2]" 1 455 1 42 ALA H 1 42 ALA MB 1.800 . 2.900 2.217 2.168 2.380 . 0 0 "[ . 1 . 2]" 1 456 1 42 ALA HA 1 43 PHE H 1.800 . 2.900 2.302 2.249 2.338 . 0 0 "[ . 1 . 2]" 1 457 1 42 ALA HA 1 43 PHE QD 1.800 . 6.000 5.576 5.381 5.808 . 0 0 "[ . 1 . 2]" 1 458 1 42 ALA MB 1 43 PHE H 1.800 . 2.900 2.794 2.673 2.907 0.007 10 0 "[ . 1 . 2]" 1 459 1 43 PHE H 1 43 PHE HA 1.800 . 2.900 2.971 2.949 2.984 0.084 5 0 "[ . 1 . 2]" 1 460 1 43 PHE H 1 43 PHE QB 1.800 . 2.900 2.385 2.269 2.495 . 0 0 "[ . 1 . 2]" 1 461 1 43 PHE H 1 43 PHE QD 1.800 . 5.000 4.247 4.132 4.331 . 0 0 "[ . 1 . 2]" 1 462 1 43 PHE H 1 44 HIS H 1.800 . 5.000 4.573 4.526 4.607 . 0 0 "[ . 1 . 2]" 1 463 1 43 PHE HA 1 43 PHE QD 1.800 . 5.000 2.861 2.629 3.007 . 0 0 "[ . 1 . 2]" 1 464 1 43 PHE HA 1 44 HIS H 1.800 . 2.900 2.384 2.275 2.515 . 0 0 "[ . 1 . 2]" 1 465 1 43 PHE QB 1 44 HIS H 1.800 . 3.500 3.255 3.168 3.441 . 0 0 "[ . 1 . 2]" 1 466 1 43 PHE QB 1 48 LEU QD 1.800 . 6.000 5.537 4.931 5.962 . 0 0 "[ . 1 . 2]" 1 467 1 43 PHE QD 1 45 ILE MD 1.800 . 5.000 4.933 4.664 5.107 0.107 2 0 "[ . 1 . 2]" 1 468 1 43 PHE QD 1 48 LEU QD 1.800 . 5.000 4.126 3.347 4.620 . 0 0 "[ . 1 . 2]" 1 469 1 44 HIS H 1 44 HIS HA 1.800 . 2.900 2.917 2.906 2.928 0.028 16 0 "[ . 1 . 2]" 1 470 1 44 HIS H 1 44 HIS QB 1.800 . 2.900 2.130 2.093 2.248 . 0 0 "[ . 1 . 2]" 1 471 1 44 HIS H 1 45 ILE HG12 1.800 . 6.000 5.500 4.927 5.875 . 0 0 "[ . 1 . 2]" 1 472 1 44 HIS H 1 45 ILE HG13 1.800 . 5.000 4.978 4.622 5.088 0.088 5 0 "[ . 1 . 2]" 1 473 1 44 HIS H 1 47 CYS H 1.800 . 6.000 5.129 5.039 5.205 . 0 0 "[ . 1 . 2]" 1 474 1 44 HIS H 1 47 CYS QB 1.800 . 6.000 4.679 4.429 5.079 . 0 0 "[ . 1 . 2]" 1 475 1 44 HIS H 1 48 LEU QD 1.800 . 5.000 4.240 3.709 4.759 . 0 0 "[ . 1 . 2]" 1 476 1 44 HIS HA 1 45 ILE H 1.800 . 3.500 3.214 3.175 3.297 . 0 0 "[ . 1 . 2]" 1 477 1 44 HIS HA 1 45 ILE QG 1.800 . 5.000 4.088 3.882 4.326 . 0 0 "[ . 1 . 2]" 1 478 1 44 HIS HA 1 45 ILE MG 1.800 . 5.000 4.910 4.823 5.051 0.051 3 0 "[ . 1 . 2]" 1 479 1 44 HIS QB 1 44 HIS HD2 1.800 . 3.500 3.108 2.674 3.285 . 0 0 "[ . 1 . 2]" 1 480 1 44 HIS QB 1 45 ILE H 1.800 . 5.000 3.575 3.422 3.621 . 0 0 "[ . 1 . 2]" 1 481 1 44 HIS QB 1 45 ILE QG 1.800 . 5.000 4.953 4.804 5.036 0.036 6 0 "[ . 1 . 2]" 1 482 1 44 HIS QB 1 46 TYR QD 1.800 . 6.000 5.829 4.559 6.120 0.120 14 0 "[ . 1 . 2]" 1 483 1 45 ILE H 1 45 ILE HA 1.800 . 2.900 2.749 2.716 2.783 . 0 0 "[ . 1 . 2]" 1 484 1 45 ILE H 1 45 ILE MD 1.800 . 5.000 3.939 3.872 3.983 . 0 0 "[ . 1 . 2]" 1 485 1 45 ILE H 1 45 ILE HG12 1.800 . 3.500 3.025 2.529 3.237 . 0 0 "[ . 1 . 2]" 1 486 1 45 ILE H 1 45 ILE HG13 1.800 . 3.500 2.445 2.328 2.584 . 0 0 "[ . 1 . 2]" 1 487 1 45 ILE H 1 45 ILE MG 1.800 . 3.500 2.205 2.106 2.372 . 0 0 "[ . 1 . 2]" 1 488 1 45 ILE H 1 46 TYR H 1.800 . 3.500 3.001 2.843 3.092 . 0 0 "[ . 1 . 2]" 1 489 1 45 ILE H 1 48 LEU HG 1.800 . 5.000 4.828 4.391 5.084 0.084 3 0 "[ . 1 . 2]" 1 490 1 45 ILE HA 1 45 ILE MD 1.800 . 5.000 3.759 3.618 4.030 . 0 0 "[ . 1 . 2]" 1 491 1 45 ILE HA 1 45 ILE HG13 1.800 . 3.500 3.517 3.498 3.534 0.034 16 0 "[ . 1 . 2]" 1 492 1 45 ILE HA 1 45 ILE MG 1.800 . 3.500 2.249 2.172 2.300 . 0 0 "[ . 1 . 2]" 1 493 1 45 ILE HA 1 46 TYR H 1.800 . 5.000 3.550 3.469 3.582 . 0 0 "[ . 1 . 2]" 1 494 1 45 ILE HA 1 48 LEU QB 1.800 . 5.000 4.855 4.150 5.036 0.036 18 0 "[ . 1 . 2]" 1 495 1 45 ILE HA 1 48 LEU QD 1.800 . 2.900 2.769 2.056 2.998 0.098 20 0 "[ . 1 . 2]" 1 496 1 45 ILE HA 1 52 LEU QD 1.800 . 5.000 2.830 2.384 3.952 . 0 0 "[ . 1 . 2]" 1 497 1 45 ILE HA 1 52 LEU HG 1.800 . 5.000 4.854 4.143 5.150 0.150 13 0 "[ . 1 . 2]" 1 498 1 45 ILE HB 1 45 ILE MD 1.800 . 2.900 2.124 2.100 2.143 . 0 0 "[ . 1 . 2]" 1 499 1 45 ILE HB 1 46 TYR H 1.800 . 5.000 3.771 3.647 4.064 . 0 0 "[ . 1 . 2]" 1 500 1 45 ILE HB 1 52 LEU HB2 1.800 . 6.000 2.702 2.248 5.312 . 0 0 "[ . 1 . 2]" 1 501 1 45 ILE HB 1 52 LEU HB3 1.800 . 6.000 2.546 2.227 5.651 . 0 0 "[ . 1 . 2]" 1 502 1 45 ILE HB 1 54 SER H 1.800 . 6.000 4.807 4.036 5.348 . 0 0 "[ . 1 . 2]" 1 503 1 45 ILE MD 1 54 SER HA 1.800 . 6.000 6.050 6.012 6.098 0.098 3 0 "[ . 1 . 2]" 1 504 1 45 ILE HG12 1 45 ILE MG 1.800 . 2.900 2.001 1.905 2.116 . 0 0 "[ . 1 . 2]" 1 505 1 45 ILE HG12 1 46 TYR H 1.800 . 5.000 3.567 3.469 3.912 . 0 0 "[ . 1 . 2]" 1 506 1 45 ILE HG13 1 45 ILE MG 1.800 . 2.900 2.816 2.698 3.015 0.115 5 0 "[ . 1 . 2]" 1 507 1 45 ILE HG13 1 46 TYR H 1.800 . 3.500 1.833 1.752 2.170 0.048 8 0 "[ . 1 . 2]" 1 508 1 45 ILE MG 1 46 TYR H 1.800 . 5.000 3.959 3.872 4.077 . 0 0 "[ . 1 . 2]" 1 509 1 45 ILE MG 1 54 SER H 1.800 . 6.000 5.545 4.598 6.055 0.055 10 0 "[ . 1 . 2]" 1 510 1 45 ILE MG 1 55 VAL H 1.800 . 5.000 4.768 3.566 5.062 0.062 4 0 "[ . 1 . 2]" 1 511 1 46 TYR H 1 46 TYR HA 1.800 . 2.900 2.974 2.932 2.988 0.088 2 0 "[ . 1 . 2]" 1 512 1 46 TYR H 1 46 TYR HB2 1.800 . 3.500 3.368 3.212 3.671 0.171 12 0 "[ . 1 . 2]" 1 513 1 46 TYR H 1 46 TYR HB3 1.800 . 3.500 2.326 2.161 2.461 . 0 0 "[ . 1 . 2]" 1 514 1 46 TYR H 1 52 LEU H 1.800 . 6.000 4.804 4.530 5.891 . 0 0 "[ . 1 . 2]" 1 515 1 46 TYR HA 1 47 CYS H 1.800 . 3.500 3.401 3.298 3.455 . 0 0 "[ . 1 . 2]" 1 516 1 46 TYR HA 1 48 LEU H 1.800 . 5.000 4.032 3.531 4.437 . 0 0 "[ . 1 . 2]" 1 517 1 46 TYR HA 1 53 SER H 1.800 . 6.000 3.901 3.415 5.063 . 0 0 "[ . 1 . 2]" 1 518 1 46 TYR HB2 1 46 TYR QD 1.800 . 2.900 2.381 2.308 2.507 . 0 0 "[ . 1 . 2]" 1 519 1 46 TYR HB3 1 46 TYR QD 1.800 . 2.900 2.477 2.349 2.720 . 0 0 "[ . 1 . 2]" 1 520 1 46 TYR QE 1 47 CYS QB 1.800 . 5.000 4.594 3.247 5.074 0.074 5 0 "[ . 1 . 2]" 1 521 1 47 CYS H 1 47 CYS HB2 1.800 . 3.500 2.244 2.118 2.779 . 0 0 "[ . 1 . 2]" 1 522 1 47 CYS H 1 47 CYS HB3 1.800 . 3.500 3.304 2.592 3.673 0.173 5 0 "[ . 1 . 2]" 1 523 1 47 CYS H 1 48 LEU H 1.800 . 3.500 2.432 2.252 2.544 . 0 0 "[ . 1 . 2]" 1 524 1 47 CYS HA 1 48 LEU H 1.800 . 3.500 3.486 3.196 3.550 0.050 5 0 "[ . 1 . 2]" 1 525 1 47 CYS QB 1 48 LEU QB 1.800 . 6.000 4.843 4.417 5.225 . 0 0 "[ . 1 . 2]" 1 526 1 47 CYS QB 1 48 LEU HG 1.800 . 5.000 4.068 3.819 4.666 . 0 0 "[ . 1 . 2]" 1 527 1 47 CYS HB2 1 48 LEU H 1.800 . 5.000 3.422 2.724 4.071 . 0 0 "[ . 1 . 2]" 1 528 1 47 CYS HB3 1 48 LEU H 1.800 . 5.000 3.497 3.032 3.968 . 0 0 "[ . 1 . 2]" 1 529 1 48 LEU H 1 48 LEU HA 1.800 . 2.900 2.853 2.779 2.899 . 0 0 "[ . 1 . 2]" 1 530 1 48 LEU H 1 48 LEU HB2 1.800 . 3.500 2.896 2.749 3.625 0.125 18 0 "[ . 1 . 2]" 1 531 1 48 LEU H 1 48 LEU HB3 1.800 . 3.500 3.536 2.909 3.619 0.119 2 0 "[ . 1 . 2]" 1 532 1 48 LEU H 1 48 LEU QD 1.800 . 3.500 2.514 2.042 2.715 . 0 0 "[ . 1 . 2]" 1 533 1 48 LEU H 1 48 LEU HG 1.800 . 3.500 1.758 1.701 1.792 0.099 3 0 "[ . 1 . 2]" 1 534 1 48 LEU H 1 49 ASP H 1.800 . 5.000 4.702 4.658 4.732 . 0 0 "[ . 1 . 2]" 1 535 1 48 LEU H 1 52 LEU H 1.800 . 5.000 5.020 4.695 5.141 0.141 19 0 "[ . 1 . 2]" 1 536 1 48 LEU HA 1 48 LEU MD1 1.800 . 5.000 3.847 3.798 3.910 . 0 0 "[ . 1 . 2]" 1 537 1 48 LEU HA 1 48 LEU MD2 1.800 . 5.000 2.331 2.136 3.910 . 0 0 "[ . 1 . 2]" 1 538 1 48 LEU HA 1 49 ASP H 1.800 . 3.500 2.422 2.361 2.501 . 0 0 "[ . 1 . 2]" 1 539 1 48 LEU QB 1 48 LEU QD 1.800 . 3.500 1.913 1.840 1.947 . 0 0 "[ . 1 . 2]" 1 540 1 48 LEU QB 1 49 ASP H 1.800 . 3.500 2.630 2.308 2.755 . 0 0 "[ . 1 . 2]" 1 541 1 48 LEU HB2 1 49 ASP H 1.800 . 3.500 3.399 2.337 3.560 0.060 1 0 "[ . 1 . 2]" 1 542 1 48 LEU HB3 1 49 ASP H 1.800 . 3.500 2.840 2.700 3.574 0.074 18 0 "[ . 1 . 2]" 1 543 1 48 LEU QD 1 49 ASP H 1.800 . 5.000 3.644 3.242 3.799 . 0 0 "[ . 1 . 2]" 1 544 1 48 LEU QD 1 49 ASP HA 1.800 . 6.000 5.325 4.355 5.475 . 0 0 "[ . 1 . 2]" 1 545 1 48 LEU QD 1 51 PRO HA 1.800 . 5.000 4.812 3.848 5.018 0.018 4 0 "[ . 1 . 2]" 1 546 1 48 LEU HG 1 49 ASP H 1.800 . 5.000 5.023 4.453 5.135 0.135 6 0 "[ . 1 . 2]" 1 547 1 48 LEU HG 1 51 PRO HA 1.800 . 5.000 5.106 4.602 5.369 0.369 3 0 "[ . 1 . 2]" 1 548 1 49 ASP H 1 49 ASP HA 1.800 . 2.900 2.790 2.760 2.812 . 0 0 "[ . 1 . 2]" 1 549 1 49 ASP H 1 49 ASP HB2 1.800 . 3.500 2.524 2.153 3.411 . 0 0 "[ . 1 . 2]" 1 550 1 49 ASP H 1 49 ASP HB3 1.800 . 3.500 3.313 2.193 3.565 0.065 19 0 "[ . 1 . 2]" 1 551 1 49 ASP HA 1 50 PRO HA 1.800 . 5.000 4.760 4.753 4.789 . 0 0 "[ . 1 . 2]" 1 552 1 50 PRO HA 1 50 PRO QD 1.800 . 3.500 3.467 3.307 3.490 . 0 0 "[ . 1 . 2]" 1 553 1 50 PRO HA 1 50 PRO QG 1.800 . 3.500 3.515 3.495 3.519 0.019 6 0 "[ . 1 . 2]" 1 554 1 50 PRO HB2 1 50 PRO QD 1.800 . 3.500 3.556 3.544 3.560 0.060 13 0 "[ . 1 . 2]" 1 555 1 50 PRO HB3 1 50 PRO QD 1.800 . 3.500 2.972 2.923 3.011 . 0 0 "[ . 1 . 2]" 1 556 1 51 PRO HA 1 52 LEU H 1.800 . 2.900 2.248 2.198 2.433 . 0 0 "[ . 1 . 2]" 1 557 1 51 PRO HA 1 52 LEU QB 1.800 . 5.000 4.147 4.105 4.285 . 0 0 "[ . 1 . 2]" 1 558 1 51 PRO HB2 1 52 LEU H 1.800 . 5.000 3.649 2.946 4.245 . 0 0 "[ . 1 . 2]" 1 559 1 51 PRO HB3 1 52 LEU H 1.800 . 5.000 4.128 3.513 4.572 . 0 0 "[ . 1 . 2]" 1 560 1 51 PRO QD 1 52 LEU H 1.800 . 5.000 4.892 4.522 4.995 . 0 0 "[ . 1 . 2]" 1 561 1 52 LEU H 1 52 LEU HA 1.800 . 2.900 2.830 2.713 2.867 . 0 0 "[ . 1 . 2]" 1 562 1 52 LEU H 1 52 LEU HB2 1.800 . 3.500 2.274 2.128 2.457 . 0 0 "[ . 1 . 2]" 1 563 1 52 LEU H 1 52 LEU MD1 1.800 . 5.000 4.111 3.948 4.303 . 0 0 "[ . 1 . 2]" 1 564 1 52 LEU H 1 52 LEU MD2 1.800 . 5.000 4.273 4.131 4.348 . 0 0 "[ . 1 . 2]" 1 565 1 52 LEU H 1 52 LEU HG 1.800 . 5.000 4.229 3.949 4.457 . 0 0 "[ . 1 . 2]" 1 566 1 52 LEU HA 1 52 LEU QD 1.800 . 3.500 2.590 2.149 3.032 . 0 0 "[ . 1 . 2]" 1 567 1 52 LEU HA 1 53 SER H 1.800 . 3.500 3.541 3.520 3.569 0.069 11 0 "[ . 1 . 2]" 1 568 1 52 LEU HB2 1 52 LEU MD2 1.800 . 3.500 3.051 2.630 3.189 . 0 0 "[ . 1 . 2]" 1 569 1 52 LEU HB2 1 53 SER H 1.800 . 5.000 3.494 3.136 3.656 . 0 0 "[ . 1 . 2]" 1 570 1 52 LEU HB2 1 54 SER H 1.800 . 5.000 4.250 4.053 4.730 . 0 0 "[ . 1 . 2]" 1 571 1 52 LEU HB3 1 52 LEU QD 1.800 . 3.500 2.064 2.025 2.115 . 0 0 "[ . 1 . 2]" 1 572 1 52 LEU HB3 1 53 SER H 1.800 . 5.000 2.345 1.650 2.659 0.150 3 0 "[ . 1 . 2]" 1 573 1 52 LEU HB3 1 54 SER H 1.800 . 5.000 2.913 2.557 3.775 . 0 0 "[ . 1 . 2]" 1 574 1 52 LEU QD 1 53 SER H 1.800 . 5.000 3.286 2.276 3.603 . 0 0 "[ . 1 . 2]" 1 575 1 52 LEU QD 1 54 SER H 1.800 . 5.000 1.796 1.669 2.478 0.131 1 0 "[ . 1 . 2]" 1 576 1 52 LEU QD 1 55 VAL HB 1.800 . 5.000 4.888 3.751 5.204 0.204 10 0 "[ . 1 . 2]" 1 577 1 52 LEU MD1 1 56 PRO QD 1.800 . 3.500 3.172 2.191 3.675 0.175 8 0 "[ . 1 . 2]" 1 578 1 52 LEU MD2 1 56 PRO QD 1.800 . 3.500 2.560 1.941 3.600 0.100 10 0 "[ . 1 . 2]" 1 579 1 53 SER H 1 53 SER QB 1.800 . 3.500 3.029 2.791 3.528 0.028 1 0 "[ . 1 . 2]" 1 580 1 53 SER H 1 54 SER H 1.800 . 2.900 2.981 2.861 3.105 0.205 7 0 "[ . 1 . 2]" 1 581 1 53 SER HA 1 54 SER H 1.800 . 3.500 3.328 3.177 3.513 0.013 1 0 "[ . 1 . 2]" 1 582 1 53 SER QB 1 54 SER H 1.800 . 5.000 3.384 2.937 3.715 . 0 0 "[ . 1 . 2]" 1 583 1 54 SER H 1 54 SER HA 1.800 . 2.900 2.924 2.892 2.969 0.069 17 0 "[ . 1 . 2]" 1 584 1 54 SER H 1 54 SER QB 1.800 . 2.900 2.363 2.170 2.680 . 0 0 "[ . 1 . 2]" 1 585 1 54 SER H 1 55 VAL H 1.800 . 2.900 2.428 2.187 2.610 . 0 0 "[ . 1 . 2]" 1 586 1 54 SER HA 1 55 VAL H 1.800 . 3.500 3.491 3.273 3.532 0.032 10 0 "[ . 1 . 2]" 1 587 1 54 SER HA 1 55 VAL QG 1.800 . 5.000 4.074 3.588 4.528 . 0 0 "[ . 1 . 2]" 1 588 1 54 SER HA 1 55 VAL MG2 1.800 . 5.000 4.202 3.633 4.792 . 0 0 "[ . 1 . 2]" 1 589 1 54 SER QB 1 55 VAL H 1.800 . 3.500 3.033 2.648 3.544 0.044 11 0 "[ . 1 . 2]" 1 590 1 55 VAL H 1 55 VAL HA 1.800 . 2.900 2.363 2.347 2.407 . 0 0 "[ . 1 . 2]" 1 591 1 55 VAL H 1 55 VAL HB 1.800 . 3.500 3.456 3.211 3.576 0.076 13 0 "[ . 1 . 2]" 1 592 1 55 VAL H 1 55 VAL MG1 1.800 . 5.000 3.998 3.910 4.074 . 0 0 "[ . 1 . 2]" 1 593 1 55 VAL H 1 55 VAL MG2 1.800 . 3.500 2.435 2.204 2.703 . 0 0 "[ . 1 . 2]" 1 594 1 55 VAL HA 1 55 VAL MG1 1.800 . 2.900 2.329 2.246 2.440 . 0 0 "[ . 1 . 2]" 1 595 1 55 VAL HA 1 55 VAL MG2 1.800 . 2.900 2.340 2.202 2.465 . 0 0 "[ . 1 . 2]" 1 596 1 55 VAL HA 1 56 PRO HD2 1.800 . 3.500 2.309 2.269 2.474 . 0 0 "[ . 1 . 2]" 1 597 1 55 VAL QG 1 56 PRO HD2 1.800 . 5.000 3.373 3.111 3.629 . 0 0 "[ . 1 . 2]" 1 598 1 55 VAL QG 1 56 PRO HD3 1.800 . 5.000 3.736 3.655 3.872 . 0 0 "[ . 1 . 2]" 1 599 1 55 VAL MG1 1 56 PRO QD 1.800 . 5.000 3.374 3.069 3.626 . 0 0 "[ . 1 . 2]" 1 600 1 55 VAL MG1 1 57 SER HA 1.800 . 5.000 4.078 2.894 4.338 . 0 0 "[ . 1 . 2]" 1 601 1 56 PRO HA 1 56 PRO QG 1.800 . 3.500 2.934 2.891 2.969 . 0 0 "[ . 1 . 2]" 1 602 1 56 PRO HA 1 57 SER H 1.800 . 3.500 3.521 3.441 3.582 0.082 3 0 "[ . 1 . 2]" 1 603 1 56 PRO HB2 1 57 SER H 1.800 . 5.000 2.980 2.497 3.267 . 0 0 "[ . 1 . 2]" 1 604 1 56 PRO HB3 1 57 SER H 1.800 . 5.000 4.212 3.908 4.369 . 0 0 "[ . 1 . 2]" 1 605 1 57 SER H 1 57 SER HA 1.800 . 2.900 2.944 2.351 2.991 0.091 16 0 "[ . 1 . 2]" 1 606 1 57 SER H 1 57 SER QB 1.800 . 3.500 2.855 2.527 3.116 . 0 0 "[ . 1 . 2]" 1 607 1 57 SER H 1 58 GLU H 1.800 . 5.000 4.402 3.117 4.531 . 0 0 "[ . 1 . 2]" 1 608 1 57 SER H 1 59 ASP HA 1.800 . 6.000 5.156 5.041 5.214 . 0 0 "[ . 1 . 2]" 1 609 1 57 SER HA 1 58 GLU H 1.800 . 3.500 2.488 2.362 3.511 0.011 1 0 "[ . 1 . 2]" 1 610 1 57 SER QB 1 58 GLU H 1.800 . 3.500 2.731 2.388 3.461 . 0 0 "[ . 1 . 2]" 1 611 1 58 GLU H 1 58 GLU HA 1.800 . 2.900 2.821 2.808 2.840 . 0 0 "[ . 1 . 2]" 1 612 1 58 GLU H 1 58 GLU QB 1.800 . 2.900 2.493 2.463 2.515 . 0 0 "[ . 1 . 2]" 1 613 1 58 GLU H 1 58 GLU HG2 1.800 . 3.500 3.281 3.248 3.320 . 0 0 "[ . 1 . 2]" 1 614 1 58 GLU H 1 58 GLU HG3 1.800 . 3.500 2.094 2.065 2.128 . 0 0 "[ . 1 . 2]" 1 615 1 58 GLU H 1 59 ASP QB 1.800 . 5.000 5.017 4.760 5.055 0.055 14 0 "[ . 1 . 2]" 1 616 1 58 GLU H 1 60 GLU H 1.800 . 5.000 4.200 3.948 4.931 . 0 0 "[ . 1 . 2]" 1 617 1 58 GLU HA 1 58 GLU HB2 1.800 . 2.900 3.027 3.025 3.029 0.129 6 0 "[ . 1 . 2]" 1 618 1 58 GLU HA 1 58 GLU HB3 1.800 . 2.900 2.491 2.488 2.494 . 0 0 "[ . 1 . 2]" 1 619 1 58 GLU HA 1 58 GLU HG2 1.800 . 3.500 2.447 2.439 2.453 . 0 0 "[ . 1 . 2]" 1 620 1 58 GLU HA 1 58 GLU HG3 1.800 . 3.500 3.053 3.046 3.063 . 0 0 "[ . 1 . 2]" 1 621 1 58 GLU HA 1 59 ASP H 1.800 . 3.500 3.522 3.496 3.535 0.035 10 0 "[ . 1 . 2]" 1 622 1 58 GLU QB 1 59 ASP H 1.800 . 5.000 2.626 2.538 2.764 . 0 0 "[ . 1 . 2]" 1 623 1 58 GLU HG2 1 59 ASP H 1.800 . 5.000 4.952 4.923 5.002 0.002 1 0 "[ . 1 . 2]" 1 624 1 58 GLU HG3 1 59 ASP H 1.800 . 5.000 4.251 4.229 4.317 . 0 0 "[ . 1 . 2]" 1 625 1 59 ASP H 1 59 ASP HA 1.800 . 2.900 2.822 2.336 2.858 . 0 0 "[ . 1 . 2]" 1 626 1 59 ASP H 1 59 ASP HB3 1.800 . 3.500 3.253 3.206 3.584 0.084 1 0 "[ . 1 . 2]" 1 627 1 59 ASP H 1 60 GLU H 1.800 . 3.500 1.972 1.763 2.871 0.037 3 0 "[ . 1 . 2]" 1 628 1 59 ASP H 1 60 GLU QB 1.800 . 5.000 3.920 3.662 4.869 . 0 0 "[ . 1 . 2]" 1 629 1 59 ASP HA 1 60 GLU H 1.800 . 3.500 3.518 3.329 3.579 0.079 15 0 "[ . 1 . 2]" 1 630 1 59 ASP HB2 1 60 GLU H 1.800 . 5.000 3.919 3.399 4.339 . 0 0 "[ . 1 . 2]" 1 631 1 59 ASP HB3 1 60 GLU H 1.800 . 3.500 2.776 2.062 3.490 . 0 0 "[ . 1 . 2]" 1 632 1 60 GLU H 1 60 GLU HA 1.800 . 2.900 2.937 2.840 2.982 0.082 1 0 "[ . 1 . 2]" 1 633 1 60 GLU H 1 60 GLU QB 1.800 . 2.900 2.362 2.301 2.422 . 0 0 "[ . 1 . 2]" 1 634 1 60 GLU H 1 60 GLU QG 1.800 . 5.000 3.694 2.341 4.065 . 0 0 "[ . 1 . 2]" 1 635 1 60 GLU H 1 61 TRP H 1.800 . 5.000 4.547 4.198 4.655 . 0 0 "[ . 1 . 2]" 1 636 1 60 GLU HA 1 60 GLU QG 1.800 . 2.900 2.360 2.233 2.784 . 0 0 "[ . 1 . 2]" 1 637 1 60 GLU HA 1 61 TRP H 1.800 . 3.500 2.217 2.200 2.243 . 0 0 "[ . 1 . 2]" 1 638 1 60 GLU QB 1 61 TRP H 1.800 . 5.000 3.555 2.824 3.960 . 0 0 "[ . 1 . 2]" 1 639 1 60 GLU QG 1 61 TRP H 1.800 . 3.500 2.839 2.504 3.726 0.226 2 0 "[ . 1 . 2]" 1 640 1 61 TRP H 1 61 TRP HA 1.800 . 2.900 2.883 2.764 2.964 0.064 18 0 "[ . 1 . 2]" 1 641 1 61 TRP H 1 61 TRP QB 1.800 . 3.500 3.015 2.627 3.254 . 0 0 "[ . 1 . 2]" 1 642 1 61 TRP H 1 62 TYR H 1.800 . 5.000 4.338 4.076 4.416 . 0 0 "[ . 1 . 2]" 1 643 1 61 TRP HA 1 61 TRP HD1 1.800 . 5.000 4.115 3.886 4.398 . 0 0 "[ . 1 . 2]" 1 644 1 61 TRP HA 1 62 TYR H 1.800 . 3.500 2.515 2.245 2.998 . 0 0 "[ . 1 . 2]" 1 645 1 61 TRP HA 1 62 TYR QD 1.800 . 5.000 4.055 3.720 4.356 . 0 0 "[ . 1 . 2]" 1 646 1 61 TRP QB 1 61 TRP HD1 1.800 . 3.500 2.824 2.547 3.015 . 0 0 "[ . 1 . 2]" 1 647 1 61 TRP QB 1 62 TYR H 1.800 . 5.000 2.851 1.978 3.552 . 0 0 "[ . 1 . 2]" 1 648 1 61 TRP HE1 1 62 TYR HA 1.800 . 6.000 4.669 4.216 5.261 . 0 0 "[ . 1 . 2]" 1 649 1 62 TYR H 1 62 TYR HA 1.800 . 2.900 2.978 2.968 2.982 0.082 12 0 "[ . 1 . 2]" 1 650 1 62 TYR H 1 63 CYS H 1.800 . 5.000 4.495 4.449 4.577 . 0 0 "[ . 1 . 2]" 1 651 1 62 TYR HA 1 63 CYS H 1.800 . 3.500 2.274 2.235 2.308 . 0 0 "[ . 1 . 2]" 1 652 1 62 TYR QB 1 68 ASN H 1.800 . 6.000 5.716 5.230 6.064 0.064 14 0 "[ . 1 . 2]" 1 653 1 62 TYR HB2 1 62 TYR QD 1.800 . 2.900 2.309 2.288 2.341 . 0 0 "[ . 1 . 2]" 1 654 1 62 TYR HB2 1 67 ARG HA 1.800 . 6.000 4.200 3.108 5.275 . 0 0 "[ . 1 . 2]" 1 655 1 62 TYR HB2 1 67 ARG QB 1.800 . 5.000 3.402 3.164 3.709 . 0 0 "[ . 1 . 2]" 1 656 1 62 TYR HB3 1 62 TYR QD 1.800 . 2.900 2.590 2.502 2.652 . 0 0 "[ . 1 . 2]" 1 657 1 62 TYR HB3 1 67 ARG HA 1.800 . 6.000 3.682 2.367 4.655 . 0 0 "[ . 1 . 2]" 1 658 1 62 TYR HB3 1 67 ARG QB 1.800 . 5.000 3.363 2.408 3.711 . 0 0 "[ . 1 . 2]" 1 659 1 62 TYR QE 1 67 ARG QD 1.800 . 5.000 5.023 4.477 5.121 0.121 13 0 "[ . 1 . 2]" 1 660 1 63 CYS H 1 63 CYS HB2 1.800 . 3.500 3.260 2.916 3.631 0.131 13 0 "[ . 1 . 2]" 1 661 1 63 CYS H 1 63 CYS HB3 1.800 . 3.500 3.154 2.507 3.580 0.080 16 0 "[ . 1 . 2]" 1 662 1 63 CYS H 1 64 PRO QD 1.800 . 5.000 4.429 4.423 4.446 . 0 0 "[ . 1 . 2]" 1 663 1 63 CYS H 1 66 CYS H 1.800 . 5.000 4.044 3.606 4.664 . 0 0 "[ . 1 . 2]" 1 664 1 63 CYS H 1 66 CYS QB 1.800 . 5.000 3.814 2.353 4.931 . 0 0 "[ . 1 . 2]" 1 665 1 63 CYS H 1 67 ARG H 1.800 . 5.000 4.700 4.186 5.012 0.012 19 0 "[ . 1 . 2]" 1 666 1 63 CYS HA 1 64 PRO QD 1.800 . 2.900 2.091 2.077 2.102 . 0 0 "[ . 1 . 2]" 1 667 1 63 CYS QB 1 64 PRO QD 1.800 . 2.900 2.272 2.213 2.476 . 0 0 "[ . 1 . 2]" 1 668 1 64 PRO HA 1 64 PRO HD2 1.800 . 5.000 4.032 3.930 4.087 . 0 0 "[ . 1 . 2]" 1 669 1 64 PRO HA 1 64 PRO HD3 1.800 . 5.000 3.400 3.331 3.547 . 0 0 "[ . 1 . 2]" 1 670 1 64 PRO HA 1 64 PRO QG 1.800 . 3.500 3.350 2.938 3.500 0.000 16 0 "[ . 1 . 2]" 1 671 1 64 PRO HA 1 65 GLU H 1.800 . 3.500 3.512 3.446 3.553 0.053 7 0 "[ . 1 . 2]" 1 672 1 64 PRO HA 1 66 CYS H 1.800 . 5.000 4.329 4.077 4.883 . 0 0 "[ . 1 . 2]" 1 673 1 64 PRO HA 1 67 ARG H 1.800 . 5.000 3.233 2.912 3.742 . 0 0 "[ . 1 . 2]" 1 674 1 64 PRO HA 1 67 ARG HB2 1.800 . 5.000 2.867 2.328 3.802 . 0 0 "[ . 1 . 2]" 1 675 1 64 PRO HA 1 67 ARG HB3 1.800 . 5.000 2.555 2.260 3.296 . 0 0 "[ . 1 . 2]" 1 676 1 64 PRO HA 1 68 ASN H 1.800 . 5.000 4.459 4.072 4.949 . 0 0 "[ . 1 . 2]" 1 677 1 64 PRO QB 1 64 PRO QD 1.800 . 3.500 2.861 2.818 2.939 . 0 0 "[ . 1 . 2]" 1 678 1 64 PRO QB 1 65 GLU H 1.800 . 5.000 3.125 2.687 3.451 . 0 0 "[ . 1 . 2]" 1 679 1 65 GLU H 1 65 GLU HA 1.800 . 2.900 2.889 2.872 2.916 0.016 16 0 "[ . 1 . 2]" 1 680 1 65 GLU H 1 65 GLU QB 1.800 . 3.500 2.339 2.280 2.478 . 0 0 "[ . 1 . 2]" 1 681 1 65 GLU H 1 65 GLU QG 1.800 . 5.000 3.412 2.043 3.988 . 0 0 "[ . 1 . 2]" 1 682 1 65 GLU H 1 66 CYS HA 1.800 . 5.000 5.202 5.175 5.254 0.254 19 0 "[ . 1 . 2]" 1 683 1 65 GLU HA 1 65 GLU HG2 1.800 . 3.500 2.808 2.446 2.979 . 0 0 "[ . 1 . 2]" 1 684 1 65 GLU HA 1 65 GLU HG3 1.800 . 3.500 2.675 2.495 3.115 . 0 0 "[ . 1 . 2]" 1 685 1 65 GLU HA 1 66 CYS H 1.800 . 3.500 3.532 3.516 3.561 0.061 16 0 "[ . 1 . 2]" 1 686 1 65 GLU HA 1 67 ARG H 1.800 . 5.000 4.221 4.008 4.379 . 0 0 "[ . 1 . 2]" 1 687 1 65 GLU HA 1 68 ASN H 1.800 . 5.000 4.133 3.418 4.711 . 0 0 "[ . 1 . 2]" 1 688 1 65 GLU QB 1 66 CYS H 1.800 . 3.500 2.596 2.362 2.675 . 0 0 "[ . 1 . 2]" 1 689 1 65 GLU QB 1 67 ARG H 1.800 . 6.000 4.485 4.381 4.708 . 0 0 "[ . 1 . 2]" 1 690 1 65 GLU QG 1 67 ARG H 1.800 . 5.000 5.113 5.003 5.226 0.226 5 0 "[ . 1 . 2]" 1 691 1 65 GLU HG2 1 66 CYS H 1.800 . 5.000 4.154 3.611 4.915 . 0 0 "[ . 1 . 2]" 1 692 1 65 GLU HG3 1 66 CYS H 1.800 . 5.000 4.610 4.029 4.873 . 0 0 "[ . 1 . 2]" 1 693 1 66 CYS H 1 66 CYS HA 1.800 . 2.900 2.926 2.852 2.960 0.060 13 0 "[ . 1 . 2]" 1 694 1 66 CYS H 1 66 CYS HB2 1.800 . 3.500 3.315 2.179 3.712 0.212 13 0 "[ . 1 . 2]" 1 695 1 66 CYS H 1 66 CYS HB3 1.800 . 3.500 2.917 2.251 3.621 0.121 3 0 "[ . 1 . 2]" 1 696 1 66 CYS HA 1 67 ARG H 1.800 . 3.500 3.417 3.260 3.528 0.028 10 0 "[ . 1 . 2]" 1 697 1 66 CYS HA 1 68 ASN H 1.800 . 5.000 3.662 3.423 3.978 . 0 0 "[ . 1 . 2]" 1 698 1 66 CYS HA 1 69 ASP H 1.800 . 6.000 4.626 3.879 6.173 0.173 3 0 "[ . 1 . 2]" 1 699 1 66 CYS HB2 1 67 ARG H 1.800 . 5.000 3.901 2.842 4.478 . 0 0 "[ . 1 . 2]" 1 700 1 66 CYS HB3 1 67 ARG H 1.800 . 5.000 4.025 3.332 4.281 . 0 0 "[ . 1 . 2]" 1 701 1 67 ARG H 1 67 ARG HA 1.800 . 2.900 2.904 2.884 2.952 0.052 11 0 "[ . 1 . 2]" 1 702 1 67 ARG H 1 67 ARG HB2 1.800 . 3.500 2.466 2.176 2.596 . 0 0 "[ . 1 . 2]" 1 703 1 67 ARG H 1 67 ARG HB3 1.800 . 3.500 2.709 2.508 3.121 . 0 0 "[ . 1 . 2]" 1 704 1 67 ARG H 1 67 ARG QD 1.800 . 5.000 4.241 4.050 4.606 . 0 0 "[ . 1 . 2]" 1 705 1 67 ARG H 1 67 ARG QG 1.800 . 5.000 4.015 3.699 4.114 . 0 0 "[ . 1 . 2]" 1 706 1 67 ARG HA 1 67 ARG QD 1.800 . 2.900 2.198 2.175 2.261 . 0 0 "[ . 1 . 2]" 1 707 1 67 ARG HA 1 67 ARG QG 1.800 . 2.900 2.589 2.236 2.833 . 0 0 "[ . 1 . 2]" 1 708 1 67 ARG HA 1 68 ASN H 1.800 . 3.500 3.410 3.226 3.468 . 0 0 "[ . 1 . 2]" 1 709 1 67 ARG QB 1 69 ASP H 1.800 . 5.000 4.314 2.539 5.048 0.048 14 0 "[ . 1 . 2]" 1 710 1 67 ARG HB2 1 68 ASN H 1.800 . 5.000 4.050 3.947 4.265 . 0 0 "[ . 1 . 2]" 1 711 1 67 ARG HB3 1 68 ASN H 1.800 . 5.000 3.198 2.995 3.759 . 0 0 "[ . 1 . 2]" 1 712 1 67 ARG QD 1 68 ASN H 1.800 . 5.000 4.926 4.557 5.077 0.077 7 0 "[ . 1 . 2]" 1 713 1 67 ARG QD 1 69 ASP H 1.800 . 5.000 4.780 3.779 5.118 0.118 3 0 "[ . 1 . 2]" 1 714 1 67 ARG QG 1 68 ASN H 1.800 . 5.000 4.226 3.944 4.864 . 0 0 "[ . 1 . 2]" 1 715 1 67 ARG QG 1 69 ASP H 1.800 . 5.000 4.397 3.163 5.023 0.023 13 0 "[ . 1 . 2]" 1 716 1 68 ASN H 1 68 ASN HA 1.800 . 2.900 2.865 2.340 2.932 0.032 15 0 "[ . 1 . 2]" 1 717 1 68 ASN H 1 68 ASN HB2 1.800 . 3.500 2.604 2.440 3.631 0.131 7 0 "[ . 1 . 2]" 1 718 1 68 ASN H 1 68 ASN HB3 1.800 . 3.500 3.333 2.512 3.649 0.149 3 0 "[ . 1 . 2]" 1 719 1 68 ASN HA 1 69 ASP H 1.800 . 2.900 3.023 2.426 3.125 0.225 16 0 "[ . 1 . 2]" 1 720 1 68 ASN QB 1 69 ASP H 1.800 . 5.000 3.666 3.558 4.051 . 0 0 "[ . 1 . 2]" 1 stop_ save_
Contact the webmaster for help, if required. Saturday, June 1, 2024 1:16:01 AM GMT (wattos1)