NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | in_recoord | in_dress | stage | program | type | subtype | subsubtype |
469069 | 1ab7 | cing | recoord | dress | 4-filtered-FRED | Wattos | check | violation | distance |
data_1ab7 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 1323 _Distance_constraint_stats_list.Viol_count 2823 _Distance_constraint_stats_list.Viol_total 6839.849 _Distance_constraint_stats_list.Viol_max 0.289 _Distance_constraint_stats_list.Viol_rms 0.0267 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0057 _Distance_constraint_stats_list.Viol_average_violations_only 0.0808 _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 LYS 0.078 0.047 11 0 "[ . 1 . 2 . 3]" 1 2 LYS 0.909 0.144 28 0 "[ . 1 . 2 . 3]" 1 3 ALA 0.974 0.085 11 0 "[ . 1 . 2 . 3]" 1 4 VAL 0.794 0.070 12 0 "[ . 1 . 2 . 3]" 1 5 ILE 6.956 0.233 3 0 "[ . 1 . 2 . 3]" 1 6 ASN 2.718 0.164 27 0 "[ . 1 . 2 . 3]" 1 7 GLY 3.403 0.164 27 0 "[ . 1 . 2 . 3]" 1 8 GLU 6.267 0.199 29 0 "[ . 1 . 2 . 3]" 1 9 GLN 6.929 0.199 29 0 "[ . 1 . 2 . 3]" 1 10 ILE 7.511 0.210 13 0 "[ . 1 . 2 . 3]" 1 11 ARG 2.050 0.078 9 0 "[ . 1 . 2 . 3]" 1 12 SER 1.127 0.051 24 0 "[ . 1 . 2 . 3]" 1 13 ILE 1.302 0.129 1 0 "[ . 1 . 2 . 3]" 1 14 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 15 ASP 8.919 0.155 15 0 "[ . 1 . 2 . 3]" 1 16 LEU 8.457 0.155 15 0 "[ . 1 . 2 . 3]" 1 17 HIS 8.636 0.209 20 0 "[ . 1 . 2 . 3]" 1 18 GLN 10.230 0.217 22 0 "[ . 1 . 2 . 3]" 1 19 THR 12.033 0.217 22 0 "[ . 1 . 2 . 3]" 1 20 LEU 19.022 0.233 3 0 "[ . 1 . 2 . 3]" 1 21 LYS 4.818 0.204 15 0 "[ . 1 . 2 . 3]" 1 22 LYS 1.455 0.109 15 0 "[ . 1 . 2 . 3]" 1 23 GLU 7.047 0.222 3 0 "[ . 1 . 2 . 3]" 1 24 LEU 8.073 0.222 3 0 "[ . 1 . 2 . 3]" 1 25 ALA 0.303 0.039 29 0 "[ . 1 . 2 . 3]" 1 26 LEU 4.594 0.146 8 0 "[ . 1 . 2 . 3]" 1 27 PRO 2.674 0.141 4 0 "[ . 1 . 2 . 3]" 1 28 GLU 0.473 0.051 5 0 "[ . 1 . 2 . 3]" 1 29 TYR 1.881 0.109 8 0 "[ . 1 . 2 . 3]" 1 30 TYR 4.084 0.146 8 0 "[ . 1 . 2 . 3]" 1 31 GLY 1.198 0.080 8 0 "[ . 1 . 2 . 3]" 1 32 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 33 ASN 1.773 0.289 20 0 "[ . 1 . 2 . 3]" 1 34 LEU 1.434 0.123 14 0 "[ . 1 . 2 . 3]" 1 35 ASP 9.982 0.252 28 0 "[ . 1 . 2 . 3]" 1 36 ALA 7.197 0.233 21 0 "[ . 1 . 2 . 3]" 1 37 LEU 9.062 0.233 21 0 "[ . 1 . 2 . 3]" 1 38 TRP 16.931 0.212 21 0 "[ . 1 . 2 . 3]" 1 39 ASP 16.866 0.212 21 0 "[ . 1 . 2 . 3]" 1 40 ALA 10.525 0.199 23 0 "[ . 1 . 2 . 3]" 1 41 LEU 12.756 0.243 23 0 "[ . 1 . 2 . 3]" 1 42 THR 9.498 0.243 23 0 "[ . 1 . 2 . 3]" 1 43 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 44 TRP 0.418 0.065 20 0 "[ . 1 . 2 . 3]" 1 45 VAL 2.986 0.186 17 0 "[ . 1 . 2 . 3]" 1 46 GLU 1.586 0.186 17 0 "[ . 1 . 2 . 3]" 1 47 TYR 0.837 0.070 23 0 "[ . 1 . 2 . 3]" 1 48 PRO 0.656 0.070 23 0 "[ . 1 . 2 . 3]" 1 49 LEU 5.025 0.177 30 0 "[ . 1 . 2 . 3]" 1 50 VAL 0.932 0.144 28 0 "[ . 1 . 2 . 3]" 1 51 LEU 8.192 0.183 15 0 "[ . 1 . 2 . 3]" 1 52 GLU 0.720 0.064 8 0 "[ . 1 . 2 . 3]" 1 53 TRP 5.365 0.131 10 0 "[ . 1 . 2 . 3]" 1 54 ARG 0.013 0.013 27 0 "[ . 1 . 2 . 3]" 1 55 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 56 PHE 1.197 0.120 22 0 "[ . 1 . 2 . 3]" 1 57 GLU 0.024 0.021 10 0 "[ . 1 . 2 . 3]" 1 58 GLN 0.092 0.034 23 0 "[ . 1 . 2 . 3]" 1 59 SER 0.226 0.074 15 0 "[ . 1 . 2 . 3]" 1 60 LYS 0.465 0.074 5 0 "[ . 1 . 2 . 3]" 1 61 GLN 4.925 0.219 8 0 "[ . 1 . 2 . 3]" 1 62 LEU 10.765 0.228 24 0 "[ . 1 . 2 . 3]" 1 63 THR 7.706 0.228 24 0 "[ . 1 . 2 . 3]" 1 64 GLU 2.600 0.124 23 0 "[ . 1 . 2 . 3]" 1 65 ASN 0.688 0.055 10 0 "[ . 1 . 2 . 3]" 1 66 GLY 0.276 0.068 17 0 "[ . 1 . 2 . 3]" 1 67 ALA 1.219 0.074 5 0 "[ . 1 . 2 . 3]" 1 68 GLU 4.528 0.177 7 0 "[ . 1 . 2 . 3]" 1 69 SER 5.062 0.181 2 0 "[ . 1 . 2 . 3]" 1 70 VAL 13.134 0.220 4 0 "[ . 1 . 2 . 3]" 1 71 LEU 13.369 0.230 22 0 "[ . 1 . 2 . 3]" 1 72 GLN 8.965 0.181 2 0 "[ . 1 . 2 . 3]" 1 73 VAL 13.290 0.184 14 0 "[ . 1 . 2 . 3]" 1 74 PHE 16.475 0.186 14 0 "[ . 1 . 2 . 3]" 1 75 ARG 5.779 0.230 22 0 "[ . 1 . 2 . 3]" 1 76 GLU 1.450 0.077 21 0 "[ . 1 . 2 . 3]" 1 77 ALA 8.253 0.194 26 0 "[ . 1 . 2 . 3]" 1 78 LYS 5.902 0.259 16 0 "[ . 1 . 2 . 3]" 1 79 ALA 0.115 0.020 17 0 "[ . 1 . 2 . 3]" 1 80 GLU 0.968 0.083 13 0 "[ . 1 . 2 . 3]" 1 81 GLY 3.651 0.194 26 0 "[ . 1 . 2 . 3]" 1 82 ALA 6.968 0.175 5 0 "[ . 1 . 2 . 3]" 1 83 ASP 0.926 0.062 24 0 "[ . 1 . 2 . 3]" 1 84 ILE 4.386 0.168 19 0 "[ . 1 . 2 . 3]" 1 85 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 86 ILE 1.986 0.095 23 0 "[ . 1 . 2 . 3]" 1 87 ILE 3.732 0.183 15 0 "[ . 1 . 2 . 3]" 1 88 LEU 0.251 0.089 15 0 "[ . 1 . 2 . 3]" 1 89 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 49 LEU MD2 1 50 VAL H 4.000 . 5.500 3.847 3.766 4.360 . 0 0 "[ . 1 . 2 . 3]" 1 2 1 49 LEU MD2 1 74 PHE QE 3.000 . 3.800 1.673 1.623 1.720 0.177 30 0 "[ . 1 . 2 . 3]" 1 3 1 47 TYR QE 1 49 LEU MD2 3.000 . 3.800 1.880 1.801 2.060 . 0 0 "[ . 1 . 2 . 3]" 1 4 1 49 LEU HA 1 49 LEU MD2 4.000 . 5.500 3.976 3.942 4.016 . 0 0 "[ . 1 . 2 . 3]" 1 5 1 49 LEU HB2 1 49 LEU MD2 3.000 . 3.800 2.474 2.368 2.670 . 0 0 "[ . 1 . 2 . 3]" 1 6 1 49 LEU HB3 1 49 LEU MD2 3.000 . 3.800 2.143 1.985 2.237 . 0 0 "[ . 1 . 2 . 3]" 1 7 1 49 LEU MD2 1 51 LEU MD1 4.000 . 6.000 3.017 2.787 3.275 . 0 0 "[ . 1 . 2 . 3]" 1 8 1 49 LEU MD2 1 51 LEU MD2 4.000 . 6.000 4.225 4.194 4.274 . 0 0 "[ . 1 . 2 . 3]" 1 9 1 45 VAL MG1 1 49 LEU MD2 3.000 . 4.300 2.007 1.652 2.333 0.148 6 0 "[ . 1 . 2 . 3]" 1 10 1 41 LEU MD2 1 49 LEU MD2 3.000 . 4.300 2.071 1.931 2.222 . 0 0 "[ . 1 . 2 . 3]" 1 11 1 16 LEU MD2 1 67 ALA HA 3.000 . 3.800 2.281 1.806 2.869 . 0 0 "[ . 1 . 2 . 3]" 1 12 1 16 LEU HA 1 16 LEU MD2 3.000 . 3.800 3.245 3.176 3.294 . 0 0 "[ . 1 . 2 . 3]" 1 13 1 16 LEU QB 1 16 LEU MD2 3.000 . 3.800 1.966 1.839 2.060 . 0 0 "[ . 1 . 2 . 3]" 1 14 1 16 LEU MD2 1 70 VAL HB 4.000 . 5.500 3.956 3.407 4.447 . 0 0 "[ . 1 . 2 . 3]" 1 15 1 1 LYS HA 1 2 LYS H 2.400 . 2.700 2.551 2.275 2.747 0.047 11 0 "[ . 1 . 2 . 3]" 1 16 1 1 LYS HA 1 2 LYS HB3 4.000 . 5.000 4.285 3.999 4.563 . 0 0 "[ . 1 . 2 . 3]" 1 17 1 2 LYS HA 1 3 ALA H 2.400 . 2.700 2.206 2.145 2.265 . 0 0 "[ . 1 . 2 . 3]" 1 18 1 2 LYS HA 1 50 VAL H 3.000 . 3.300 2.039 1.856 2.176 . 0 0 "[ . 1 . 2 . 3]" 1 19 1 2 LYS HA 1 2 LYS HB2 3.000 . 3.300 2.340 2.271 2.430 . 0 0 "[ . 1 . 2 . 3]" 1 20 1 2 LYS HA 1 49 LEU MD1 4.000 . 5.500 2.544 2.090 2.925 . 0 0 "[ . 1 . 2 . 3]" 1 21 1 2 LYS HA 1 50 VAL MG1 4.000 . 5.500 2.899 2.542 3.233 . 0 0 "[ . 1 . 2 . 3]" 1 22 1 2 LYS HA 1 50 VAL HB 3.000 . 3.300 2.050 1.851 2.690 . 0 0 "[ . 1 . 2 . 3]" 1 23 1 2 LYS HA 1 2 LYS HB3 3.000 . 3.300 2.859 2.626 3.031 . 0 0 "[ . 1 . 2 . 3]" 1 24 1 2 LYS HA 1 3 ALA MB 4.000 . 5.500 4.035 3.843 4.134 . 0 0 "[ . 1 . 2 . 3]" 1 25 1 2 LYS HA 1 50 VAL MG2 4.000 . 5.500 3.763 3.468 4.260 . 0 0 "[ . 1 . 2 . 3]" 1 26 1 2 LYS HA 1 49 LEU HG 4.000 . 5.000 4.092 3.484 4.643 . 0 0 "[ . 1 . 2 . 3]" 1 27 1 2 LYS HA 1 2 LYS QE 4.000 . 5.000 4.319 3.890 4.507 . 0 0 "[ . 1 . 2 . 3]" 1 28 1 2 LYS HA 1 50 VAL HA 4.000 . 5.000 4.203 4.063 4.350 . 0 0 "[ . 1 . 2 . 3]" 1 29 1 1 LYS HA 1 2 LYS HA 4.000 . 5.000 4.494 4.425 4.572 . 0 0 "[ . 1 . 2 . 3]" 1 30 1 2 LYS HB2 1 50 VAL MG1 3.000 . 3.800 2.776 1.878 3.209 . 0 0 "[ . 1 . 2 . 3]" 1 31 1 2 LYS HB2 1 50 VAL HB 4.000 . 5.000 2.403 1.873 2.920 . 0 0 "[ . 1 . 2 . 3]" 1 32 1 2 LYS HB2 1 2 LYS QE 4.000 . 5.000 3.145 1.876 4.196 . 0 0 "[ . 1 . 2 . 3]" 1 33 1 2 LYS H 1 2 LYS HB2 4.000 . 5.000 3.591 3.154 3.989 . 0 0 "[ . 1 . 2 . 3]" 1 34 1 2 LYS HB2 1 50 VAL MG2 4.000 . 5.500 3.523 3.059 4.104 . 0 0 "[ . 1 . 2 . 3]" 1 35 1 2 LYS HB2 1 50 VAL H 4.000 . 5.000 4.011 3.433 4.266 . 0 0 "[ . 1 . 2 . 3]" 1 36 1 2 LYS H 1 2 LYS HB3 3.000 . 3.300 2.678 2.368 3.059 . 0 0 "[ . 1 . 2 . 3]" 1 37 1 2 LYS HB3 1 50 VAL H 4.000 . 5.000 4.687 3.721 5.046 0.046 11 0 "[ . 1 . 2 . 3]" 1 38 1 2 LYS HB3 1 2 LYS QE 4.000 . 5.000 3.817 2.813 4.485 . 0 0 "[ . 1 . 2 . 3]" 1 39 1 1 LYS QB 1 2 LYS H 3.000 . 3.300 2.390 1.845 2.937 . 0 0 "[ . 1 . 2 . 3]" 1 40 1 2 LYS H 1 2 LYS QG 4.000 . 5.000 3.328 2.461 4.103 . 0 0 "[ . 1 . 2 . 3]" 1 41 1 1 LYS QG 1 2 LYS H 4.000 . 5.000 3.481 1.995 4.464 . 0 0 "[ . 1 . 2 . 3]" 1 42 1 2 LYS H 1 49 LEU MD1 4.000 . 5.500 3.519 3.191 3.932 . 0 0 "[ . 1 . 2 . 3]" 1 43 1 3 ALA HA 1 4 VAL H 2.400 . 2.700 2.292 2.212 2.372 . 0 0 "[ . 1 . 2 . 3]" 1 44 1 3 ALA HA 1 49 LEU MD1 4.000 . 5.500 3.745 3.205 4.106 . 0 0 "[ . 1 . 2 . 3]" 1 45 1 3 ALA HA 1 4 VAL MG2 4.000 . 5.500 3.609 3.136 3.892 . 0 0 "[ . 1 . 2 . 3]" 1 46 1 2 LYS HA 1 3 ALA HA 4.000 . 5.000 4.477 4.437 4.511 . 0 0 "[ . 1 . 2 . 3]" 1 47 1 3 ALA HA 1 23 GLU HA 4.000 . 5.000 4.194 3.827 4.512 . 0 0 "[ . 1 . 2 . 3]" 1 48 1 3 ALA HA 1 23 GLU QB 4.000 . 5.000 1.948 1.767 2.271 0.033 29 0 "[ . 1 . 2 . 3]" 1 49 1 3 ALA MB 1 51 LEU HA 4.000 . 5.500 2.480 2.113 2.763 . 0 0 "[ . 1 . 2 . 3]" 1 50 1 3 ALA MB 1 4 VAL H 4.000 . 5.500 2.888 2.628 3.063 . 0 0 "[ . 1 . 2 . 3]" 1 51 1 3 ALA H 1 3 ALA MB 3.000 . 3.800 2.191 2.088 2.496 . 0 0 "[ . 1 . 2 . 3]" 1 52 1 3 ALA MB 1 50 VAL H 4.000 . 5.500 4.020 3.785 4.612 . 0 0 "[ . 1 . 2 . 3]" 1 53 1 3 ALA MB 1 23 GLU HA 4.000 . 5.500 4.529 4.222 4.617 . 0 0 "[ . 1 . 2 . 3]" 1 54 1 3 ALA MB 1 20 LEU HA 4.000 . 5.500 3.507 2.841 4.101 . 0 0 "[ . 1 . 2 . 3]" 1 55 1 3 ALA MB 1 23 GLU QB 3.000 . 3.800 2.065 1.765 2.199 0.035 6 0 "[ . 1 . 2 . 3]" 1 56 1 3 ALA H 1 51 LEU HA 3.000 . 3.300 3.312 3.058 3.385 0.085 11 0 "[ . 1 . 2 . 3]" 1 57 1 3 ALA H 1 51 LEU MD1 4.000 . 5.500 4.424 4.005 4.629 . 0 0 "[ . 1 . 2 . 3]" 1 58 1 3 ALA H 1 49 LEU MD1 3.000 . 3.800 1.934 1.753 3.169 0.047 5 0 "[ . 1 . 2 . 3]" 1 59 1 2 LYS HB2 1 3 ALA H 4.000 . 5.000 4.087 3.124 4.523 . 0 0 "[ . 1 . 2 . 3]" 1 60 1 3 ALA H 1 23 GLU QB 4.000 . 5.000 4.052 3.678 4.469 . 0 0 "[ . 1 . 2 . 3]" 1 61 1 4 VAL HA 1 4 VAL MG1 3.000 . 3.800 2.367 2.168 2.581 . 0 0 "[ . 1 . 2 . 3]" 1 62 1 4 VAL HA 1 4 VAL MG2 3.000 . 3.800 2.297 2.131 2.491 . 0 0 "[ . 1 . 2 . 3]" 1 63 1 4 VAL HA 1 5 ILE H 3.000 . 3.300 2.166 2.145 2.203 . 0 0 "[ . 1 . 2 . 3]" 1 64 1 4 VAL HA 1 52 GLU QB 3.000 . 3.300 2.508 2.419 2.603 . 0 0 "[ . 1 . 2 . 3]" 1 65 1 4 VAL HA 1 51 LEU MD1 4.000 . 5.500 4.609 4.570 4.666 . 0 0 "[ . 1 . 2 . 3]" 1 66 1 4 VAL HA 1 5 ILE HB 4.000 . 5.000 4.761 4.442 4.871 . 0 0 "[ . 1 . 2 . 3]" 1 67 1 4 VAL H 1 4 VAL HB 3.000 . 3.300 2.723 2.577 2.925 . 0 0 "[ . 1 . 2 . 3]" 1 68 1 4 VAL HB 1 4 VAL MG2 2.400 . 3.200 2.126 2.110 2.153 . 0 0 "[ . 1 . 2 . 3]" 1 69 1 4 VAL MG1 1 52 GLU HB2 4.000 . 5.500 4.297 3.825 4.595 . 0 0 "[ . 1 . 2 . 3]" 1 70 1 4 VAL MG1 1 6 ASN H 4.000 . 5.500 4.123 3.241 4.579 . 0 0 "[ . 1 . 2 . 3]" 1 71 1 4 VAL MG1 1 6 ASN QD 3.000 . 3.800 2.642 2.166 2.875 . 0 0 "[ . 1 . 2 . 3]" 1 72 1 4 VAL MG1 1 54 ARG H 4.000 . 5.500 3.462 2.849 4.316 . 0 0 "[ . 1 . 2 . 3]" 1 73 1 4 VAL H 1 4 VAL MG1 4.000 . 5.500 3.876 3.769 3.978 . 0 0 "[ . 1 . 2 . 3]" 1 74 1 4 VAL MG1 1 5 ILE H 3.000 . 3.800 2.535 2.308 2.865 . 0 0 "[ . 1 . 2 . 3]" 1 75 1 4 VAL MG1 1 6 ASN HA 4.000 . 5.500 4.012 3.527 4.569 . 0 0 "[ . 1 . 2 . 3]" 1 76 1 4 VAL MG1 1 52 GLU HB3 4.000 . 5.500 3.026 2.574 3.399 . 0 0 "[ . 1 . 2 . 3]" 1 77 1 4 VAL MG1 1 54 ARG QD 4.000 . 5.500 2.782 1.950 4.090 . 0 0 "[ . 1 . 2 . 3]" 1 78 1 4 VAL MG1 1 5 ILE HA 4.000 . 5.500 3.916 3.679 4.208 . 0 0 "[ . 1 . 2 . 3]" 1 79 1 4 VAL H 1 4 VAL MG2 4.000 . 5.500 3.011 2.661 3.269 . 0 0 "[ . 1 . 2 . 3]" 1 80 1 2 LYS QE 1 4 VAL MG2 3.000 . 3.800 2.348 1.730 2.859 0.070 12 0 "[ . 1 . 2 . 3]" 1 81 1 4 VAL MG2 1 5 ILE H 4.000 . 5.500 4.012 3.849 4.225 . 0 0 "[ . 1 . 2 . 3]" 1 82 1 4 VAL H 1 23 GLU QG 4.000 . 5.000 2.210 1.860 2.931 . 0 0 "[ . 1 . 2 . 3]" 1 83 1 4 VAL H 1 23 GLU QB 4.000 . 5.000 3.318 2.293 3.832 . 0 0 "[ . 1 . 2 . 3]" 1 84 1 4 VAL H 1 52 GLU HB3 4.000 . 5.000 5.005 4.790 5.064 0.064 8 0 "[ . 1 . 2 . 3]" 1 85 1 5 ILE H 1 5 ILE HA 3.000 . 3.300 2.965 2.930 2.994 . 0 0 "[ . 1 . 2 . 3]" 1 86 1 5 ILE HA 1 6 ASN H 2.400 . 2.700 2.205 2.157 2.365 . 0 0 "[ . 1 . 2 . 3]" 1 87 1 5 ILE HA 1 5 ILE QG 3.000 . 3.800 2.753 2.076 2.923 . 0 0 "[ . 1 . 2 . 3]" 1 88 1 5 ILE HA 1 5 ILE MG 3.000 . 3.800 2.166 2.079 2.441 . 0 0 "[ . 1 . 2 . 3]" 1 89 1 5 ILE HA 1 19 THR MG 3.000 . 3.800 2.297 1.831 2.748 . 0 0 "[ . 1 . 2 . 3]" 1 90 1 5 ILE HA 1 5 ILE MD 4.000 . 5.500 2.684 2.379 3.893 . 0 0 "[ . 1 . 2 . 3]" 1 91 1 5 ILE HB 1 5 ILE MD 3.000 . 3.800 2.982 1.929 3.169 . 0 0 "[ . 1 . 2 . 3]" 1 92 1 5 ILE HB 1 53 TRP HA 3.000 . 3.300 1.900 1.787 2.151 0.013 10 0 "[ . 1 . 2 . 3]" 1 93 1 5 ILE HB 1 53 TRP HD1 4.000 . 5.000 2.788 2.575 2.992 . 0 0 "[ . 1 . 2 . 3]" 1 94 1 5 ILE H 1 5 ILE HB 3.000 . 3.300 2.631 2.290 2.724 . 0 0 "[ . 1 . 2 . 3]" 1 95 1 5 ILE HB 1 54 ARG H 4.000 . 5.000 2.481 1.913 3.375 . 0 0 "[ . 1 . 2 . 3]" 1 96 1 5 ILE MD 1 53 TRP HA 4.000 . 5.500 3.579 1.937 3.933 . 0 0 "[ . 1 . 2 . 3]" 1 97 1 5 ILE H 1 5 ILE MD 4.000 . 5.500 3.504 2.456 3.756 . 0 0 "[ . 1 . 2 . 3]" 1 98 1 5 ILE MD 1 51 LEU MD1 3.000 . 4.300 2.345 1.764 2.601 0.036 15 0 "[ . 1 . 2 . 3]" 1 99 1 5 ILE MD 1 20 LEU MD2 3.000 . 4.300 1.800 1.567 2.601 0.233 3 0 "[ . 1 . 2 . 3]" 1 100 1 5 ILE MD 1 16 LEU MD1 3.000 . 4.300 2.139 1.792 3.048 0.008 12 0 "[ . 1 . 2 . 3]" 1 101 1 5 ILE MD 1 19 THR MG 4.000 . 6.000 2.662 2.074 3.721 . 0 0 "[ . 1 . 2 . 3]" 1 102 1 4 VAL HA 1 5 ILE MD 4.000 . 5.500 4.472 3.467 4.607 . 0 0 "[ . 1 . 2 . 3]" 1 103 1 5 ILE MD 1 70 VAL HB 4.000 . 5.500 4.370 4.150 4.644 . 0 0 "[ . 1 . 2 . 3]" 1 104 1 5 ILE MG 1 7 GLY QA 4.000 . 5.500 3.769 3.052 4.086 . 0 0 "[ . 1 . 2 . 3]" 1 105 1 5 ILE MG 1 19 THR MG 4.000 . 6.000 3.201 2.729 3.919 . 0 0 "[ . 1 . 2 . 3]" 1 106 1 5 ILE H 1 5 ILE MG 4.000 . 5.500 3.812 3.696 3.901 . 0 0 "[ . 1 . 2 . 3]" 1 107 1 5 ILE MG 1 6 ASN H 4.000 . 5.500 2.799 2.201 3.343 . 0 0 "[ . 1 . 2 . 3]" 1 108 1 5 ILE MG 1 16 LEU MD1 3.000 . 4.300 2.185 1.893 2.791 . 0 0 "[ . 1 . 2 . 3]" 1 109 1 5 ILE QG 1 5 ILE MG 3.000 . 3.800 2.430 1.917 2.555 . 0 0 "[ . 1 . 2 . 3]" 1 110 1 5 ILE MG 1 7 GLY H 4.000 . 5.500 3.830 2.805 4.448 . 0 0 "[ . 1 . 2 . 3]" 1 111 1 5 ILE H 1 53 TRP HA 4.000 . 5.000 2.351 2.162 2.493 . 0 0 "[ . 1 . 2 . 3]" 1 112 1 5 ILE H 1 5 ILE QG 3.000 . 3.300 2.168 1.847 3.083 . 0 0 "[ . 1 . 2 . 3]" 1 113 1 5 ILE H 1 51 LEU MD1 4.000 . 5.500 4.544 4.334 4.635 . 0 0 "[ . 1 . 2 . 3]" 1 114 1 5 ILE H 1 54 ARG QG 4.000 . 5.000 3.314 2.949 4.011 . 0 0 "[ . 1 . 2 . 3]" 1 115 1 6 ASN HA 1 7 GLY H 3.000 . 3.300 2.281 2.179 3.464 0.164 27 0 "[ . 1 . 2 . 3]" 1 116 1 6 ASN HA 1 54 ARG QB 3.000 . 3.300 2.217 1.787 2.792 0.013 27 0 "[ . 1 . 2 . 3]" 1 117 1 6 ASN HA 1 6 ASN HB2 3.000 . 3.300 2.989 2.979 2.999 . 0 0 "[ . 1 . 2 . 3]" 1 118 1 5 ILE H 1 6 ASN HA 4.000 . 5.000 5.025 4.895 5.127 0.127 6 0 "[ . 1 . 2 . 3]" 1 119 1 5 ILE HA 1 6 ASN HA 4.000 . 5.000 4.445 4.415 4.495 . 0 0 "[ . 1 . 2 . 3]" 1 120 1 6 ASN HA 1 54 ARG QG 4.000 . 5.000 2.687 1.855 3.429 . 0 0 "[ . 1 . 2 . 3]" 1 121 1 6 ASN HB2 1 6 ASN QD 3.000 . 3.300 2.811 2.297 3.045 . 0 0 "[ . 1 . 2 . 3]" 1 122 1 6 ASN HB2 1 9 GLN H 4.000 . 5.000 2.905 2.377 3.273 . 0 0 "[ . 1 . 2 . 3]" 1 123 1 6 ASN HB2 1 7 GLY H 4.000 . 5.000 4.182 2.918 4.314 . 0 0 "[ . 1 . 2 . 3]" 1 124 1 5 ILE HA 1 6 ASN HB2 4.000 . 5.000 5.053 4.998 5.092 0.092 9 0 "[ . 1 . 2 . 3]" 1 125 1 6 ASN H 1 6 ASN HB2 3.000 . 3.300 2.931 2.886 3.026 . 0 0 "[ . 1 . 2 . 3]" 1 126 1 6 ASN HB2 1 9 GLN QB 3.000 . 3.300 2.624 1.895 2.974 . 0 0 "[ . 1 . 2 . 3]" 1 127 1 6 ASN H 1 6 ASN HB3 4.000 . 5.000 3.775 3.595 3.901 . 0 0 "[ . 1 . 2 . 3]" 1 128 1 6 ASN HB3 1 6 ASN QD 3.000 . 3.300 2.430 2.211 2.962 . 0 0 "[ . 1 . 2 . 3]" 1 129 1 6 ASN HB3 1 9 GLN H 4.000 . 5.000 3.649 2.604 4.147 . 0 0 "[ . 1 . 2 . 3]" 1 130 1 6 ASN HB3 1 7 GLY H 4.000 . 5.000 3.962 3.597 4.179 . 0 0 "[ . 1 . 2 . 3]" 1 131 1 6 ASN HB3 1 9 GLN QB 4.000 . 5.000 3.634 2.202 4.462 . 0 0 "[ . 1 . 2 . 3]" 1 132 1 5 ILE HB 1 6 ASN H 4.000 . 5.000 4.162 3.673 4.509 . 0 0 "[ . 1 . 2 . 3]" 1 133 1 6 ASN H 1 7 GLY QA 4.000 . 5.000 4.501 4.395 4.541 . 0 0 "[ . 1 . 2 . 3]" 1 134 1 7 GLY QA 1 10 ILE QG 4.000 . 5.000 2.848 2.011 3.747 . 0 0 "[ . 1 . 2 . 3]" 1 135 1 7 GLY QA 1 59 SER QB 4.000 . 5.000 2.623 1.726 3.547 0.074 15 0 "[ . 1 . 2 . 3]" 1 136 1 6 ASN HA 1 7 GLY QA 4.000 . 5.000 4.022 3.969 4.260 . 0 0 "[ . 1 . 2 . 3]" 1 137 1 7 GLY QA 1 8 GLU H 3.000 . 3.300 2.923 2.870 2.938 . 0 0 "[ . 1 . 2 . 3]" 1 138 1 7 GLY QA 1 53 TRP HE1 4.000 . 5.000 4.461 3.952 4.535 . 0 0 "[ . 1 . 2 . 3]" 1 139 1 7 GLY H 1 54 ARG QG 4.000 . 5.000 4.228 2.818 4.493 . 0 0 "[ . 1 . 2 . 3]" 1 140 1 7 GLY H 1 10 ILE QG 4.000 . 5.000 4.174 2.738 4.495 . 0 0 "[ . 1 . 2 . 3]" 1 141 1 7 GLY H 1 8 GLU HA 4.000 . 5.000 5.098 5.033 5.158 0.158 27 0 "[ . 1 . 2 . 3]" 1 142 1 6 ASN H 1 7 GLY H 4.000 . 5.000 4.022 2.451 4.244 . 0 0 "[ . 1 . 2 . 3]" 1 143 1 7 GLY H 1 54 ARG QB 4.000 . 5.000 2.785 2.078 4.343 . 0 0 "[ . 1 . 2 . 3]" 1 144 1 7 GLY H 1 10 ILE HB 4.000 . 5.000 4.871 3.624 5.049 0.049 7 0 "[ . 1 . 2 . 3]" 1 145 1 7 GLY H 1 8 GLU H 4.000 . 5.000 2.574 2.334 2.787 . 0 0 "[ . 1 . 2 . 3]" 1 146 1 8 GLU HA 1 9 GLN H 3.000 . 3.300 3.394 3.367 3.499 0.199 29 0 "[ . 1 . 2 . 3]" 1 147 1 8 GLU H 1 8 GLU HA 3.000 . 3.300 2.916 2.859 2.978 . 0 0 "[ . 1 . 2 . 3]" 1 148 1 8 GLU HA 1 8 GLU QG 3.000 . 3.300 2.556 2.181 3.203 . 0 0 "[ . 1 . 2 . 3]" 1 149 1 8 GLU H 1 8 GLU QB 3.000 . 3.300 2.387 2.220 3.054 . 0 0 "[ . 1 . 2 . 3]" 1 150 1 6 ASN HA 1 8 GLU H 4.000 . 5.000 3.255 3.109 3.991 . 0 0 "[ . 1 . 2 . 3]" 1 151 1 8 GLU H 1 10 ILE H 4.000 . 5.000 3.635 3.250 3.767 . 0 0 "[ . 1 . 2 . 3]" 1 152 1 8 GLU H 1 9 GLN H 3.000 . 3.300 2.345 2.024 2.539 . 0 0 "[ . 1 . 2 . 3]" 1 153 1 8 GLU H 1 10 ILE HB 4.000 . 5.000 4.933 4.577 5.074 0.074 9 0 "[ . 1 . 2 . 3]" 1 154 1 8 GLU HG3 1 9 GLN HA 4.000 . 5.000 4.494 3.975 5.091 0.091 29 0 "[ . 1 . 2 . 3]" 1 155 1 9 GLN H 1 9 GLN HA 3.000 . 3.300 2.982 2.926 2.989 . 0 0 "[ . 1 . 2 . 3]" 1 156 1 9 GLN HA 1 9 GLN HB2 2.400 . 2.700 2.572 2.414 2.722 0.022 27 0 "[ . 1 . 2 . 3]" 1 157 1 9 GLN HA 1 9 GLN HB3 3.000 . 3.300 3.013 2.963 3.031 . 0 0 "[ . 1 . 2 . 3]" 1 158 1 9 GLN HA 1 11 ARG QG 4.000 . 5.000 4.490 4.458 4.571 . 0 0 "[ . 1 . 2 . 3]" 1 159 1 9 GLN HA 1 10 ILE H 3.000 . 3.300 3.428 3.412 3.450 0.150 10 0 "[ . 1 . 2 . 3]" 1 160 1 9 GLN H 1 9 GLN QB 3.000 . 3.300 2.481 2.215 2.551 . 0 0 "[ . 1 . 2 . 3]" 1 161 1 9 GLN H 1 10 ILE HA 4.000 . 5.000 4.654 4.577 5.030 0.030 29 0 "[ . 1 . 2 . 3]" 1 162 1 9 GLN H 1 10 ILE H 2.400 . 2.700 1.898 1.837 2.314 . 0 0 "[ . 1 . 2 . 3]" 1 163 1 10 ILE H 1 10 ILE HB 2.400 . 2.700 2.489 2.426 2.640 . 0 0 "[ . 1 . 2 . 3]" 1 164 1 10 ILE HB 1 11 ARG H 4.000 . 5.000 4.426 4.309 4.483 . 0 0 "[ . 1 . 2 . 3]" 1 165 1 10 ILE H 1 10 ILE MD 4.000 . 5.500 3.453 2.816 3.705 . 0 0 "[ . 1 . 2 . 3]" 1 166 1 10 ILE MD 1 11 ARG H 4.000 . 5.500 3.815 3.566 3.961 . 0 0 "[ . 1 . 2 . 3]" 1 167 1 5 ILE MG 1 10 ILE MD 4.000 . 6.000 3.580 2.699 4.064 . 0 0 "[ . 1 . 2 . 3]" 1 168 1 10 ILE MD 1 10 ILE MG 3.000 . 4.300 1.809 1.590 2.049 0.210 13 0 "[ . 1 . 2 . 3]" 1 169 1 10 ILE MD 1 16 LEU HA 3.000 . 3.800 1.900 1.746 2.230 0.054 24 0 "[ . 1 . 2 . 3]" 1 170 1 10 ILE MD 1 15 ASP HB3 3.000 . 3.800 1.780 1.696 2.261 0.104 6 0 "[ . 1 . 2 . 3]" 1 171 1 10 ILE HA 1 10 ILE MD 3.000 . 3.800 2.094 1.817 2.235 . 0 0 "[ . 1 . 2 . 3]" 1 172 1 10 ILE QG 1 10 ILE MG 3.000 . 3.800 2.308 2.130 2.428 . 0 0 "[ . 1 . 2 . 3]" 1 173 1 10 ILE MG 1 15 ASP HB3 3.000 . 3.800 2.713 2.227 3.226 . 0 0 "[ . 1 . 2 . 3]" 1 174 1 10 ILE MG 1 15 ASP HB2 3.000 . 3.800 2.461 2.193 3.023 . 0 0 "[ . 1 . 2 . 3]" 1 175 1 10 ILE MG 1 12 SER H 3.000 . 3.800 2.716 2.411 2.875 . 0 0 "[ . 1 . 2 . 3]" 1 176 1 10 ILE MG 1 11 ARG H 3.000 . 3.800 3.153 3.004 3.206 . 0 0 "[ . 1 . 2 . 3]" 1 177 1 5 ILE MG 1 10 ILE MG 4.000 . 6.000 4.102 3.838 4.205 . 0 0 "[ . 1 . 2 . 3]" 1 178 1 10 ILE H 1 10 ILE MG 4.000 . 5.500 3.776 3.761 3.799 . 0 0 "[ . 1 . 2 . 3]" 1 179 1 10 ILE HA 1 10 ILE MG 3.000 . 3.800 2.312 2.206 2.376 . 0 0 "[ . 1 . 2 . 3]" 1 180 1 10 ILE MG 1 13 ILE HA 3.000 . 3.800 3.090 2.856 3.197 . 0 0 "[ . 1 . 2 . 3]" 1 181 1 10 ILE MG 1 16 LEU HA 4.000 . 5.500 2.866 2.007 3.494 . 0 0 "[ . 1 . 2 . 3]" 1 182 1 10 ILE H 1 10 ILE QG 3.000 . 3.300 2.230 1.997 2.403 . 0 0 "[ . 1 . 2 . 3]" 1 183 1 9 GLN QB 1 10 ILE H 3.000 . 3.300 2.957 2.947 2.967 . 0 0 "[ . 1 . 2 . 3]" 1 184 1 10 ILE H 1 10 ILE HA 3.000 . 3.300 2.901 2.850 2.955 . 0 0 "[ . 1 . 2 . 3]" 1 185 1 11 ARG HA 1 62 LEU MD2 4.000 . 5.500 4.087 3.003 4.598 . 0 0 "[ . 1 . 2 . 3]" 1 186 1 11 ARG HA 1 11 ARG QG 3.000 . 3.300 2.786 2.756 2.805 . 0 0 "[ . 1 . 2 . 3]" 1 187 1 11 ARG HA 1 11 ARG HB3 3.000 . 3.300 2.288 2.280 2.293 . 0 0 "[ . 1 . 2 . 3]" 1 188 1 11 ARG HA 1 11 ARG HB2 3.000 . 3.300 2.964 2.956 2.970 . 0 0 "[ . 1 . 2 . 3]" 1 189 1 11 ARG HB2 1 11 ARG QD 3.000 . 3.300 2.576 2.451 2.889 . 0 0 "[ . 1 . 2 . 3]" 1 190 1 11 ARG H 1 11 ARG HB2 3.000 . 3.300 3.077 2.998 3.180 . 0 0 "[ . 1 . 2 . 3]" 1 191 1 11 ARG HB2 1 12 SER QB 4.000 . 5.000 3.150 2.962 3.701 . 0 0 "[ . 1 . 2 . 3]" 1 192 1 11 ARG HB3 1 12 SER QB 4.000 . 5.000 4.353 4.140 4.464 . 0 0 "[ . 1 . 2 . 3]" 1 193 1 11 ARG HB3 1 11 ARG QD 3.000 . 3.300 2.279 2.137 2.726 . 0 0 "[ . 1 . 2 . 3]" 1 194 1 11 ARG H 1 11 ARG HB3 4.000 . 5.000 3.550 3.502 3.579 . 0 0 "[ . 1 . 2 . 3]" 1 195 1 11 ARG HB3 1 11 ARG QG 2.400 . 2.700 2.427 2.421 2.437 . 0 0 "[ . 1 . 2 . 3]" 1 196 1 10 ILE H 1 11 ARG H 4.000 . 5.000 4.285 4.131 4.396 . 0 0 "[ . 1 . 2 . 3]" 1 197 1 11 ARG H 1 12 SER H 3.000 . 3.300 2.601 2.460 2.878 . 0 0 "[ . 1 . 2 . 3]" 1 198 1 10 ILE HA 1 11 ARG H 2.400 . 2.700 2.215 2.169 2.256 . 0 0 "[ . 1 . 2 . 3]" 1 199 1 11 ARG H 1 11 ARG QG 3.000 . 3.300 1.758 1.722 1.777 0.078 9 0 "[ . 1 . 2 . 3]" 1 200 1 11 ARG H 1 15 ASP QB 4.000 . 5.000 2.489 1.831 2.718 . 0 0 "[ . 1 . 2 . 3]" 1 201 1 10 ILE MD 1 12 SER H 4.000 . 5.500 4.366 4.140 4.601 . 0 0 "[ . 1 . 2 . 3]" 1 202 1 11 ARG QG 1 12 SER H 3.000 . 3.300 3.053 3.028 3.092 . 0 0 "[ . 1 . 2 . 3]" 1 203 1 11 ARG HB3 1 12 SER H 4.000 . 5.000 3.935 3.905 3.963 . 0 0 "[ . 1 . 2 . 3]" 1 204 1 10 ILE HB 1 12 SER H 4.000 . 5.000 5.022 4.692 5.049 0.049 22 0 "[ . 1 . 2 . 3]" 1 205 1 13 ILE HB 1 13 ILE MD 3.000 . 3.800 2.562 2.076 3.180 . 0 0 "[ . 1 . 2 . 3]" 1 206 1 13 ILE HA 1 13 ILE HB 2.400 . 2.700 2.519 2.416 2.717 0.017 15 0 "[ . 1 . 2 . 3]" 1 207 1 13 ILE HB 1 14 SER H 4.000 . 5.000 3.992 3.625 4.140 . 0 0 "[ . 1 . 2 . 3]" 1 208 1 13 ILE HB 1 63 THR HB 4.000 . 5.000 2.270 1.834 3.312 . 0 0 "[ . 1 . 2 . 3]" 1 209 1 13 ILE H 1 13 ILE HB 4.000 . 5.000 2.560 2.337 3.270 . 0 0 "[ . 1 . 2 . 3]" 1 210 1 12 SER HA 1 13 ILE HB 4.000 . 5.000 4.683 3.941 4.954 . 0 0 "[ . 1 . 2 . 3]" 1 211 1 13 ILE MD 1 16 LEU HB3 3.000 . 3.800 2.312 1.735 2.946 0.065 23 0 "[ . 1 . 2 . 3]" 1 212 1 13 ILE MD 1 66 GLY QA 4.000 . 5.500 2.170 1.732 3.127 0.068 17 0 "[ . 1 . 2 . 3]" 1 213 1 13 ILE HA 1 13 ILE MD 3.000 . 3.800 2.285 1.785 3.205 0.015 24 0 "[ . 1 . 2 . 3]" 1 214 1 13 ILE MD 1 67 ALA H 4.000 . 5.500 3.239 2.176 4.667 . 0 0 "[ . 1 . 2 . 3]" 1 215 1 13 ILE MD 1 63 THR HB 4.000 . 5.500 3.883 2.934 4.600 . 0 0 "[ . 1 . 2 . 3]" 1 216 1 13 ILE QG 1 13 ILE MG 3.000 . 3.800 2.185 2.029 2.473 . 0 0 "[ . 1 . 2 . 3]" 1 217 1 13 ILE MG 1 14 SER H 3.000 . 3.800 2.071 1.865 2.449 . 0 0 "[ . 1 . 2 . 3]" 1 218 1 13 ILE HA 1 13 ILE MG 3.000 . 3.800 3.178 3.130 3.193 . 0 0 "[ . 1 . 2 . 3]" 1 219 1 13 ILE MG 1 14 SER HA 4.000 . 5.500 3.116 2.934 3.475 . 0 0 "[ . 1 . 2 . 3]" 1 220 1 12 SER HA 1 13 ILE MG 4.000 . 5.500 4.335 4.095 4.596 . 0 0 "[ . 1 . 2 . 3]" 1 221 1 13 ILE MG 1 14 SER QB 4.000 . 5.500 3.453 3.131 3.949 . 0 0 "[ . 1 . 2 . 3]" 1 222 1 13 ILE H 1 13 ILE QG 4.000 . 5.000 4.091 3.962 4.458 . 0 0 "[ . 1 . 2 . 3]" 1 223 1 13 ILE H 1 63 THR MG 4.000 . 5.500 4.067 3.132 4.589 . 0 0 "[ . 1 . 2 . 3]" 1 224 1 13 ILE H 1 13 ILE HA 3.000 . 3.300 2.731 2.325 2.830 . 0 0 "[ . 1 . 2 . 3]" 1 225 1 14 SER QB 1 15 ASP H 4.000 . 5.000 2.542 2.229 3.397 . 0 0 "[ . 1 . 2 . 3]" 1 226 1 14 SER H 1 14 SER HA 3.000 . 3.300 2.829 2.795 2.852 . 0 0 "[ . 1 . 2 . 3]" 1 227 1 14 SER H 1 15 ASP H 3.000 . 3.300 2.856 2.693 2.999 . 0 0 "[ . 1 . 2 . 3]" 1 228 1 14 SER H 1 14 SER QB 3.000 . 3.300 2.368 2.066 2.876 . 0 0 "[ . 1 . 2 . 3]" 1 229 1 15 ASP HA 1 18 GLN QB 4.000 . 5.000 2.448 2.019 3.718 . 0 0 "[ . 1 . 2 . 3]" 1 230 1 15 ASP HA 1 15 ASP HB3 3.000 . 3.300 2.770 2.754 2.788 . 0 0 "[ . 1 . 2 . 3]" 1 231 1 15 ASP HA 1 15 ASP HB2 3.000 . 3.300 2.924 2.912 2.935 . 0 0 "[ . 1 . 2 . 3]" 1 232 1 15 ASP H 1 15 ASP HA 3.000 . 3.300 2.873 2.832 2.920 . 0 0 "[ . 1 . 2 . 3]" 1 233 1 10 ILE HA 1 15 ASP HB2 3.000 . 3.300 2.631 1.879 2.918 . 0 0 "[ . 1 . 2 . 3]" 1 234 1 15 ASP H 1 15 ASP HB2 3.000 . 3.300 2.079 2.055 2.097 . 0 0 "[ . 1 . 2 . 3]" 1 235 1 10 ILE MD 1 15 ASP HB2 3.000 . 3.800 2.843 2.623 3.134 . 0 0 "[ . 1 . 2 . 3]" 1 236 1 11 ARG H 1 15 ASP HB2 3.000 . 3.300 2.590 1.841 2.881 . 0 0 "[ . 1 . 2 . 3]" 1 237 1 12 SER H 1 15 ASP HB2 3.000 . 3.300 2.594 2.354 3.351 0.051 24 0 "[ . 1 . 2 . 3]" 1 238 1 10 ILE HA 1 15 ASP HB3 3.000 . 3.300 2.138 1.915 2.268 . 0 0 "[ . 1 . 2 . 3]" 1 239 1 11 ARG H 1 15 ASP HB3 3.000 . 3.300 3.301 3.121 3.371 0.071 18 0 "[ . 1 . 2 . 3]" 1 240 1 15 ASP H 1 15 ASP HB3 3.000 . 3.300 3.380 3.340 3.399 0.099 11 0 "[ . 1 . 2 . 3]" 1 241 1 10 ILE MG 1 15 ASP H 3.000 . 3.800 3.166 3.006 3.208 . 0 0 "[ . 1 . 2 . 3]" 1 242 1 15 ASP H 1 16 LEU H 3.000 . 3.300 2.515 2.352 2.655 . 0 0 "[ . 1 . 2 . 3]" 1 243 1 10 ILE MD 1 15 ASP H 4.000 . 5.500 3.803 3.456 4.122 . 0 0 "[ . 1 . 2 . 3]" 1 244 1 15 ASP H 1 18 GLN QG 4.000 . 5.000 4.424 3.893 4.528 . 0 0 "[ . 1 . 2 . 3]" 1 245 1 15 ASP H 1 17 HIS H 4.000 . 5.000 4.688 4.350 5.004 0.004 9 0 "[ . 1 . 2 . 3]" 1 246 1 13 ILE HA 1 15 ASP H 4.000 . 5.000 4.399 4.081 4.938 . 0 0 "[ . 1 . 2 . 3]" 1 247 1 13 ILE MG 1 15 ASP H 4.000 . 5.500 4.474 4.262 4.584 . 0 0 "[ . 1 . 2 . 3]" 1 248 1 15 ASP H 1 16 LEU QB 4.000 . 5.000 4.274 4.123 4.411 . 0 0 "[ . 1 . 2 . 3]" 1 249 1 16 LEU H 1 16 LEU HA 3.000 . 3.300 2.876 2.846 2.904 . 0 0 "[ . 1 . 2 . 3]" 1 250 1 16 LEU H 1 16 LEU QB 3.000 . 3.300 2.257 2.228 2.277 . 0 0 "[ . 1 . 2 . 3]" 1 251 1 16 LEU QB 1 17 HIS H 3.000 . 3.300 2.120 1.942 2.336 . 0 0 "[ . 1 . 2 . 3]" 1 252 1 13 ILE MD 1 16 LEU QB 3.000 . 3.800 2.230 1.698 2.892 0.102 23 0 "[ . 1 . 2 . 3]" 1 253 1 16 LEU QB 1 17 HIS HD2 4.000 . 5.000 2.540 1.862 3.800 . 0 0 "[ . 1 . 2 . 3]" 1 254 1 16 LEU H 1 16 LEU MD1 4.000 . 5.500 4.020 3.974 4.063 . 0 0 "[ . 1 . 2 . 3]" 1 255 1 16 LEU HA 1 16 LEU MD1 3.000 . 3.800 1.790 1.770 1.827 0.030 16 0 "[ . 1 . 2 . 3]" 1 256 1 16 LEU MD1 1 19 THR H 4.000 . 5.500 3.610 3.428 3.900 . 0 0 "[ . 1 . 2 . 3]" 1 257 1 16 LEU MD1 1 53 TRP HE1 4.000 . 5.500 4.545 4.176 4.605 . 0 0 "[ . 1 . 2 . 3]" 1 258 1 10 ILE MD 1 16 LEU H 3.000 . 3.800 2.734 2.263 3.105 . 0 0 "[ . 1 . 2 . 3]" 1 259 1 15 ASP HB2 1 16 LEU H 3.000 . 3.300 3.311 3.219 3.365 0.065 29 0 "[ . 1 . 2 . 3]" 1 260 1 15 ASP HA 1 16 LEU H 3.000 . 3.300 3.422 3.393 3.455 0.155 15 0 "[ . 1 . 2 . 3]" 1 261 1 10 ILE MG 1 16 LEU H 4.000 . 5.500 2.563 2.095 2.818 . 0 0 "[ . 1 . 2 . 3]" 1 262 1 13 ILE MG 1 16 LEU H 4.000 . 5.500 4.556 4.447 4.612 . 0 0 "[ . 1 . 2 . 3]" 1 263 1 17 HIS H 1 17 HIS HA 3.000 . 3.300 2.824 2.780 2.858 . 0 0 "[ . 1 . 2 . 3]" 1 264 1 14 SER HA 1 17 HIS HB2 4.000 . 5.000 3.683 3.405 4.036 . 0 0 "[ . 1 . 2 . 3]" 1 265 1 17 HIS HB2 1 18 GLN H 3.000 . 3.300 2.996 2.461 3.220 . 0 0 "[ . 1 . 2 . 3]" 1 266 1 17 HIS HB2 1 17 HIS HD2 4.000 . 5.000 3.103 2.756 3.679 . 0 0 "[ . 1 . 2 . 3]" 1 267 1 17 HIS H 1 17 HIS HB2 3.000 . 3.300 2.491 2.369 2.643 . 0 0 "[ . 1 . 2 . 3]" 1 268 1 17 HIS HA 1 17 HIS HB2 3.000 . 3.300 3.025 3.013 3.030 . 0 0 "[ . 1 . 2 . 3]" 1 269 1 17 HIS HB2 1 18 GLN QG 4.000 . 5.000 3.485 3.022 3.902 . 0 0 "[ . 1 . 2 . 3]" 1 270 1 17 HIS HA 1 17 HIS HB3 3.000 . 3.300 2.497 2.425 2.563 . 0 0 "[ . 1 . 2 . 3]" 1 271 1 17 HIS H 1 17 HIS HB3 4.000 . 5.000 3.599 3.570 3.617 . 0 0 "[ . 1 . 2 . 3]" 1 272 1 17 HIS HB3 1 18 GLN HG3 4.000 . 5.000 4.998 4.819 5.150 0.150 20 0 "[ . 1 . 2 . 3]" 1 273 1 17 HIS HB3 1 17 HIS HD2 4.000 . 5.000 3.919 3.775 4.006 . 0 0 "[ . 1 . 2 . 3]" 1 274 1 17 HIS HB3 1 18 GLN H 4.000 . 5.000 3.937 3.388 4.151 . 0 0 "[ . 1 . 2 . 3]" 1 275 1 13 ILE QG 1 17 HIS HD2 3.000 . 3.300 2.194 1.844 2.907 . 0 0 "[ . 1 . 2 . 3]" 1 276 1 17 HIS HA 1 17 HIS HD2 4.000 . 5.000 3.689 2.810 4.484 . 0 0 "[ . 1 . 2 . 3]" 1 277 1 14 SER HA 1 17 HIS HD2 4.000 . 5.000 3.886 2.938 4.912 . 0 0 "[ . 1 . 2 . 3]" 1 278 1 13 ILE HB 1 17 HIS HD2 4.000 . 5.000 4.949 4.581 5.129 0.129 1 0 "[ . 1 . 2 . 3]" 1 279 1 17 HIS HD2 1 32 GLU QB 4.000 . 5.000 3.530 2.418 4.500 . 0 0 "[ . 1 . 2 . 3]" 1 280 1 16 LEU HG 1 17 HIS HD2 4.000 . 5.000 3.729 2.282 5.015 0.015 23 0 "[ . 1 . 2 . 3]" 1 281 1 13 ILE HA 1 17 HIS HD2 4.000 . 5.000 3.978 3.144 4.716 . 0 0 "[ . 1 . 2 . 3]" 1 282 1 13 ILE MD 1 17 HIS HD2 3.000 . 3.800 2.695 1.790 3.188 0.010 27 0 "[ . 1 . 2 . 3]" 1 283 1 13 ILE MG 1 17 HIS HD2 4.000 . 5.500 3.745 2.711 4.345 . 0 0 "[ . 1 . 2 . 3]" 1 284 1 13 ILE QG 1 17 HIS HE1 4.000 . 5.000 4.205 3.277 4.547 . 0 0 "[ . 1 . 2 . 3]" 1 285 1 17 HIS HE1 1 32 GLU QB 4.000 . 5.000 3.761 2.257 4.534 . 0 0 "[ . 1 . 2 . 3]" 1 286 1 16 LEU H 1 17 HIS H 2.400 . 2.700 2.772 2.713 2.841 0.141 20 0 "[ . 1 . 2 . 3]" 1 287 1 13 ILE MD 1 17 HIS H 4.000 . 5.500 3.413 2.761 4.314 . 0 0 "[ . 1 . 2 . 3]" 1 288 1 16 LEU MD1 1 17 HIS H 4.000 . 5.500 3.649 3.367 3.927 . 0 0 "[ . 1 . 2 . 3]" 1 289 1 17 HIS H 1 17 HIS QB 2.400 . 2.700 2.448 2.338 2.577 . 0 0 "[ . 1 . 2 . 3]" 1 290 1 17 HIS H 1 18 GLN H 2.400 . 2.700 2.675 2.598 2.832 0.132 20 0 "[ . 1 . 2 . 3]" 1 291 1 18 GLN HA 1 21 LYS QB 4.000 . 5.000 2.068 1.991 2.172 . 0 0 "[ . 1 . 2 . 3]" 1 292 1 18 GLN H 1 18 GLN HA 3.000 . 3.300 2.921 2.850 2.934 . 0 0 "[ . 1 . 2 . 3]" 1 293 1 18 GLN HA 1 21 LYS H 3.000 . 3.300 3.225 2.950 3.339 0.039 13 0 "[ . 1 . 2 . 3]" 1 294 1 18 GLN H 1 18 GLN QB 3.000 . 3.300 2.458 2.317 2.839 . 0 0 "[ . 1 . 2 . 3]" 1 295 1 18 GLN QB 1 19 THR H 4.000 . 5.000 2.686 2.204 3.350 . 0 0 "[ . 1 . 2 . 3]" 1 296 1 17 HIS HA 1 18 GLN H 3.000 . 3.300 3.436 3.387 3.509 0.209 20 0 "[ . 1 . 2 . 3]" 1 297 1 19 THR MG 1 22 LYS H 4.000 . 5.500 4.425 4.218 4.570 . 0 0 "[ . 1 . 2 . 3]" 1 298 1 4 VAL H 1 19 THR MG 4.000 . 5.500 3.396 2.948 3.737 . 0 0 "[ . 1 . 2 . 3]" 1 299 1 19 THR HB 1 19 THR MG 2.400 . 3.200 2.114 2.103 2.146 . 0 0 "[ . 1 . 2 . 3]" 1 300 1 19 THR MG 1 23 GLU QG 3.000 . 3.800 2.595 2.181 2.839 . 0 0 "[ . 1 . 2 . 3]" 1 301 1 19 THR HA 1 19 THR MG 2.400 . 3.200 2.532 2.402 2.663 . 0 0 "[ . 1 . 2 . 3]" 1 302 1 19 THR MG 1 20 LEU HA 4.000 . 5.500 3.392 3.149 3.495 . 0 0 "[ . 1 . 2 . 3]" 1 303 1 5 ILE H 1 19 THR MG 4.000 . 5.500 4.260 3.806 4.613 . 0 0 "[ . 1 . 2 . 3]" 1 304 1 19 THR H 1 19 THR MG 4.000 . 5.500 3.700 3.611 3.753 . 0 0 "[ . 1 . 2 . 3]" 1 305 1 19 THR MG 1 20 LEU H 4.000 . 5.500 3.287 3.111 3.424 . 0 0 "[ . 1 . 2 . 3]" 1 306 1 16 LEU MD1 1 19 THR MG 3.000 . 4.300 3.002 2.979 3.017 . 0 0 "[ . 1 . 2 . 3]" 1 307 1 19 THR MG 1 20 LEU MD2 4.000 . 6.000 2.307 2.030 2.649 . 0 0 "[ . 1 . 2 . 3]" 1 308 1 18 GLN HA 1 19 THR H 3.000 . 3.300 3.471 3.445 3.517 0.217 22 0 "[ . 1 . 2 . 3]" 1 309 1 18 GLN H 1 19 THR H 3.000 . 3.300 2.344 2.214 2.645 . 0 0 "[ . 1 . 2 . 3]" 1 310 1 19 THR H 1 19 THR HB 2.400 . 2.700 2.291 2.182 2.401 . 0 0 "[ . 1 . 2 . 3]" 1 311 1 10 ILE MD 1 19 THR H 4.000 . 5.500 3.399 2.924 3.833 . 0 0 "[ . 1 . 2 . 3]" 1 312 1 19 THR H 1 20 LEU MD2 4.000 . 5.500 4.293 3.857 4.590 . 0 0 "[ . 1 . 2 . 3]" 1 313 1 19 THR H 1 20 LEU HG 4.000 . 5.000 3.634 3.476 3.904 . 0 0 "[ . 1 . 2 . 3]" 1 314 1 19 THR H 1 21 LYS QB 4.000 . 5.000 4.494 4.468 4.557 . 0 0 "[ . 1 . 2 . 3]" 1 315 1 20 LEU H 1 20 LEU HA 3.000 . 3.300 2.939 2.920 2.952 . 0 0 "[ . 1 . 2 . 3]" 1 316 1 20 LEU HA 1 23 GLU H 3.000 . 3.300 3.254 2.996 3.367 0.067 21 0 "[ . 1 . 2 . 3]" 1 317 1 20 LEU HA 1 20 LEU HB2 3.000 . 3.300 2.996 2.965 3.011 . 0 0 "[ . 1 . 2 . 3]" 1 318 1 20 LEU HA 1 20 LEU MD2 2.400 . 3.200 2.076 1.922 2.352 . 0 0 "[ . 1 . 2 . 3]" 1 319 1 20 LEU HA 1 22 LYS H 4.000 . 5.000 3.843 3.659 3.995 . 0 0 "[ . 1 . 2 . 3]" 1 320 1 20 LEU HA 1 20 LEU HG 3.000 . 3.300 3.345 3.203 3.451 0.151 27 0 "[ . 1 . 2 . 3]" 1 321 1 20 LEU HA 1 23 GLU QB 4.000 . 5.000 2.979 2.572 3.919 . 0 0 "[ . 1 . 2 . 3]" 1 322 1 20 LEU HA 1 20 LEU MD1 4.000 . 5.500 3.916 3.837 3.968 . 0 0 "[ . 1 . 2 . 3]" 1 323 1 20 LEU HA 1 21 LYS H 4.000 . 5.000 3.486 3.444 3.508 . 0 0 "[ . 1 . 2 . 3]" 1 324 1 20 LEU HA 1 24 LEU H 4.000 . 5.000 3.210 3.114 3.408 . 0 0 "[ . 1 . 2 . 3]" 1 325 1 20 LEU HB2 1 21 LYS H 3.000 . 3.300 2.740 2.610 2.995 . 0 0 "[ . 1 . 2 . 3]" 1 326 1 20 LEU HB2 1 20 LEU MD2 3.000 . 3.800 3.185 3.175 3.192 . 0 0 "[ . 1 . 2 . 3]" 1 327 1 17 HIS HA 1 20 LEU HB2 3.000 . 3.300 3.243 3.027 3.445 0.145 18 0 "[ . 1 . 2 . 3]" 1 328 1 20 LEU HB2 1 20 LEU MD1 3.000 . 3.800 2.330 2.237 2.463 . 0 0 "[ . 1 . 2 . 3]" 1 329 1 20 LEU HB2 1 20 LEU HG 3.000 . 3.300 2.465 2.398 2.527 . 0 0 "[ . 1 . 2 . 3]" 1 330 1 20 LEU H 1 20 LEU HB2 3.000 . 3.300 2.885 2.797 3.024 . 0 0 "[ . 1 . 2 . 3]" 1 331 1 20 LEU HB3 1 21 LYS H 4.000 . 5.000 4.020 3.924 4.194 . 0 0 "[ . 1 . 2 . 3]" 1 332 1 20 LEU H 1 20 LEU HB3 4.000 . 5.000 3.656 3.638 3.680 . 0 0 "[ . 1 . 2 . 3]" 1 333 1 17 HIS HA 1 20 LEU HB3 4.000 . 5.000 4.656 4.275 5.008 0.008 13 0 "[ . 1 . 2 . 3]" 1 334 1 20 LEU MD1 1 67 ALA HA 4.000 . 5.500 4.546 4.281 4.659 . 0 0 "[ . 1 . 2 . 3]" 1 335 1 16 LEU HA 1 20 LEU MD1 4.000 . 5.500 4.535 4.363 4.633 . 0 0 "[ . 1 . 2 . 3]" 1 336 1 20 LEU HB3 1 20 LEU MD1 3.000 . 3.800 2.348 2.230 2.427 . 0 0 "[ . 1 . 2 . 3]" 1 337 1 20 LEU MD1 1 21 LYS H 4.000 . 5.500 4.316 4.159 4.475 . 0 0 "[ . 1 . 2 . 3]" 1 338 1 20 LEU H 1 20 LEU MD1 4.000 . 5.500 3.485 3.365 3.552 . 0 0 "[ . 1 . 2 . 3]" 1 339 1 17 HIS HA 1 20 LEU MD1 3.000 . 3.800 2.394 1.833 3.143 . 0 0 "[ . 1 . 2 . 3]" 1 340 1 20 LEU MD1 1 74 PHE QE 3.000 . 3.800 2.450 1.852 2.804 . 0 0 "[ . 1 . 2 . 3]" 1 341 1 20 LEU MD1 1 74 PHE QD 4.000 . 5.500 3.934 3.709 4.117 . 0 0 "[ . 1 . 2 . 3]" 1 342 1 20 LEU HB3 1 20 LEU MD2 3.000 . 3.800 2.382 2.285 2.461 . 0 0 "[ . 1 . 2 . 3]" 1 343 1 4 VAL H 1 20 LEU MD2 4.000 . 5.500 4.603 4.366 4.655 . 0 0 "[ . 1 . 2 . 3]" 1 344 1 20 LEU H 1 20 LEU MD2 3.000 . 3.800 2.759 2.488 3.049 . 0 0 "[ . 1 . 2 . 3]" 1 345 1 20 LEU MD2 1 20 LEU HG 2.400 . 3.200 2.137 2.113 2.152 . 0 0 "[ . 1 . 2 . 3]" 1 346 1 20 LEU MD2 1 74 PHE QE 3.000 . 3.800 2.755 2.456 2.840 . 0 0 "[ . 1 . 2 . 3]" 1 347 1 19 THR HA 1 20 LEU H 3.000 . 3.300 3.482 3.467 3.495 0.195 14 0 "[ . 1 . 2 . 3]" 1 348 1 19 THR HB 1 20 LEU H 3.000 . 3.300 2.822 2.709 2.933 . 0 0 "[ . 1 . 2 . 3]" 1 349 1 20 LEU H 1 20 LEU HG 2.400 . 2.700 1.756 1.708 1.803 0.092 20 0 "[ . 1 . 2 . 3]" 1 350 1 21 LYS HA 1 26 LEU HG 3.000 . 3.300 1.888 1.825 2.102 . 0 0 "[ . 1 . 2 . 3]" 1 351 1 21 LYS HA 1 21 LYS QG 2.400 . 2.700 2.400 2.060 2.450 . 0 0 "[ . 1 . 2 . 3]" 1 352 1 21 LYS HA 1 26 LEU MD2 4.000 . 5.500 3.630 3.536 3.832 . 0 0 "[ . 1 . 2 . 3]" 1 353 1 21 LYS HA 1 26 LEU MD1 3.000 . 3.800 2.257 1.924 2.731 . 0 0 "[ . 1 . 2 . 3]" 1 354 1 21 LYS HA 1 26 LEU H 3.000 . 3.300 2.241 1.991 2.566 . 0 0 "[ . 1 . 2 . 3]" 1 355 1 21 LYS H 1 21 LYS HA 3.000 . 3.300 2.899 2.861 2.920 . 0 0 "[ . 1 . 2 . 3]" 1 356 1 21 LYS HA 1 22 LYS H 4.000 . 5.000 3.461 3.438 3.489 . 0 0 "[ . 1 . 2 . 3]" 1 357 1 21 LYS H 1 21 LYS QB 3.000 . 3.300 2.244 2.194 2.269 . 0 0 "[ . 1 . 2 . 3]" 1 358 1 21 LYS QB 1 26 LEU HB2 3.000 . 3.300 2.975 2.945 3.134 . 0 0 "[ . 1 . 2 . 3]" 1 359 1 21 LYS QB 1 22 LYS H 3.000 . 3.300 2.954 2.866 2.995 . 0 0 "[ . 1 . 2 . 3]" 1 360 1 19 THR HB 1 21 LYS H 4.000 . 5.000 4.893 4.803 5.007 0.007 5 0 "[ . 1 . 2 . 3]" 1 361 1 21 LYS H 1 23 GLU H 4.000 . 5.000 4.204 3.988 4.591 . 0 0 "[ . 1 . 2 . 3]" 1 362 1 20 LEU HG 1 21 LYS H 3.000 . 3.300 3.447 3.368 3.504 0.204 15 0 "[ . 1 . 2 . 3]" 1 363 1 21 LYS H 1 22 LYS H 2.400 . 2.700 2.460 2.368 2.584 . 0 0 "[ . 1 . 2 . 3]" 1 364 1 21 LYS H 1 26 LEU MD1 4.000 . 5.500 3.429 3.112 3.779 . 0 0 "[ . 1 . 2 . 3]" 1 365 1 20 LEU H 1 21 LYS H 3.000 . 3.300 2.268 2.227 2.336 . 0 0 "[ . 1 . 2 . 3]" 1 366 1 22 LYS H 1 22 LYS QB 3.000 . 3.300 2.262 2.166 2.843 . 0 0 "[ . 1 . 2 . 3]" 1 367 1 19 THR HA 1 22 LYS QB 3.000 . 3.300 2.548 2.331 3.128 . 0 0 "[ . 1 . 2 . 3]" 1 368 1 22 LYS H 1 22 LYS QG 4.000 . 5.000 3.486 1.797 3.911 0.003 22 0 "[ . 1 . 2 . 3]" 1 369 1 22 LYS H 1 22 LYS QD 4.000 . 5.000 4.235 2.428 4.452 . 0 0 "[ . 1 . 2 . 3]" 1 370 1 19 THR HA 1 22 LYS H 3.000 . 3.300 3.347 3.280 3.409 0.109 15 0 "[ . 1 . 2 . 3]" 1 371 1 22 LYS H 1 23 GLU H 2.400 . 2.700 2.420 2.264 2.562 . 0 0 "[ . 1 . 2 . 3]" 1 372 1 21 LYS QG 1 22 LYS H 4.000 . 5.000 3.790 3.580 4.414 . 0 0 "[ . 1 . 2 . 3]" 1 373 1 23 GLU QB 1 24 LEU H 4.000 . 5.000 2.241 2.000 2.748 . 0 0 "[ . 1 . 2 . 3]" 1 374 1 23 GLU H 1 23 GLU QB 3.000 . 3.300 2.550 2.372 2.944 . 0 0 "[ . 1 . 2 . 3]" 1 375 1 22 LYS QG 1 23 GLU H 3.000 . 3.300 2.838 1.936 3.084 . 0 0 "[ . 1 . 2 . 3]" 1 376 1 22 LYS QB 1 23 GLU H 4.000 . 5.000 2.772 2.186 3.478 . 0 0 "[ . 1 . 2 . 3]" 1 377 1 23 GLU H 1 24 LEU H 3.000 . 3.300 2.609 2.473 2.831 . 0 0 "[ . 1 . 2 . 3]" 1 378 1 23 GLU H 1 23 GLU QG 2.400 . 2.700 2.069 1.729 2.388 0.071 29 0 "[ . 1 . 2 . 3]" 1 379 1 23 GLU H 1 24 LEU MD1 4.000 . 5.500 4.638 4.612 4.673 . 0 0 "[ . 1 . 2 . 3]" 1 380 1 19 THR HA 1 23 GLU H 4.000 . 5.000 3.982 3.821 4.162 . 0 0 "[ . 1 . 2 . 3]" 1 381 1 24 LEU H 1 24 LEU HA 3.000 . 3.300 2.876 2.814 2.921 . 0 0 "[ . 1 . 2 . 3]" 1 382 1 24 LEU HA 1 24 LEU MD1 4.000 . 5.500 3.938 3.919 3.955 . 0 0 "[ . 1 . 2 . 3]" 1 383 1 24 LEU H 1 24 LEU HB2 3.000 . 3.300 2.707 2.655 2.749 . 0 0 "[ . 1 . 2 . 3]" 1 384 1 24 LEU HA 1 24 LEU HB2 3.000 . 3.300 3.024 3.016 3.032 . 0 0 "[ . 1 . 2 . 3]" 1 385 1 24 LEU HB2 1 26 LEU MD2 3.000 . 3.800 2.158 2.027 2.242 . 0 0 "[ . 1 . 2 . 3]" 1 386 1 24 LEU HB3 1 26 LEU MD2 3.000 . 3.800 2.336 1.980 2.711 . 0 0 "[ . 1 . 2 . 3]" 1 387 1 24 LEU H 1 24 LEU HB3 4.000 . 5.000 3.605 3.579 3.623 . 0 0 "[ . 1 . 2 . 3]" 1 388 1 24 LEU HB2 1 24 LEU MD1 3.000 . 3.800 2.210 2.094 2.276 . 0 0 "[ . 1 . 2 . 3]" 1 389 1 24 LEU MD1 1 26 LEU MD1 4.000 . 6.000 2.301 2.039 2.713 . 0 0 "[ . 1 . 2 . 3]" 1 390 1 24 LEU MD1 1 74 PHE HZ 3.000 . 3.800 1.837 1.790 2.007 0.010 3 0 "[ . 1 . 2 . 3]" 1 391 1 24 LEU H 1 24 LEU MD1 3.000 . 3.800 3.147 3.027 3.217 . 0 0 "[ . 1 . 2 . 3]" 1 392 1 20 LEU HA 1 24 LEU MD1 4.000 . 5.500 2.735 2.530 3.026 . 0 0 "[ . 1 . 2 . 3]" 1 393 1 24 LEU MD1 1 37 LEU HA 4.000 . 5.500 4.380 3.917 4.606 . 0 0 "[ . 1 . 2 . 3]" 1 394 1 24 LEU MD2 1 74 PHE HZ 3.000 . 3.800 2.331 1.760 3.016 0.040 5 0 "[ . 1 . 2 . 3]" 1 395 1 24 LEU HA 1 24 LEU MD2 3.000 . 3.800 2.283 2.124 2.453 . 0 0 "[ . 1 . 2 . 3]" 1 396 1 24 LEU H 1 24 LEU MD2 3.000 . 3.800 3.257 3.227 3.297 . 0 0 "[ . 1 . 2 . 3]" 1 397 1 24 LEU HB3 1 24 LEU MD2 2.400 . 3.200 2.161 2.068 2.274 . 0 0 "[ . 1 . 2 . 3]" 1 398 1 23 GLU QG 1 24 LEU H 4.000 . 5.000 3.638 1.873 3.998 . 0 0 "[ . 1 . 2 . 3]" 1 399 1 20 LEU HB2 1 24 LEU H 4.000 . 5.000 5.051 4.986 5.106 0.106 18 0 "[ . 1 . 2 . 3]" 1 400 1 23 GLU HA 1 24 LEU H 3.000 . 3.300 3.515 3.504 3.522 0.222 3 0 "[ . 1 . 2 . 3]" 1 401 1 24 LEU H 1 25 ALA H 2.400 . 2.700 2.520 2.413 2.670 . 0 0 "[ . 1 . 2 . 3]" 1 402 1 24 LEU H 1 26 LEU H 4.000 . 5.000 4.537 4.370 4.741 . 0 0 "[ . 1 . 2 . 3]" 1 403 1 24 LEU H 1 26 LEU MD1 4.000 . 5.500 4.565 4.291 4.616 . 0 0 "[ . 1 . 2 . 3]" 1 404 1 25 ALA HA 1 25 ALA MB 2.400 . 3.200 2.111 2.108 2.114 . 0 0 "[ . 1 . 2 . 3]" 1 405 1 25 ALA HA 1 26 LEU H 2.400 . 2.700 2.698 2.639 2.730 0.030 16 0 "[ . 1 . 2 . 3]" 1 406 1 25 ALA H 1 25 ALA HA 2.400 . 2.700 2.354 2.345 2.361 . 0 0 "[ . 1 . 2 . 3]" 1 407 1 24 LEU H 1 25 ALA HA 4.000 . 5.000 4.860 4.753 5.008 0.008 10 0 "[ . 1 . 2 . 3]" 1 408 1 25 ALA MB 1 26 LEU H 4.000 . 5.500 3.716 3.699 3.726 . 0 0 "[ . 1 . 2 . 3]" 1 409 1 24 LEU H 1 25 ALA MB 4.000 . 5.500 4.621 4.581 4.656 . 0 0 "[ . 1 . 2 . 3]" 1 410 1 25 ALA H 1 25 ALA MB 3.000 . 3.800 2.953 2.900 2.992 . 0 0 "[ . 1 . 2 . 3]" 1 411 1 24 LEU HB2 1 25 ALA H 4.000 . 5.000 2.954 2.851 3.072 . 0 0 "[ . 1 . 2 . 3]" 1 412 1 24 LEU HB3 1 25 ALA H 4.000 . 5.000 4.100 4.028 4.178 . 0 0 "[ . 1 . 2 . 3]" 1 413 1 25 ALA H 1 26 LEU MD2 4.000 . 5.500 4.090 3.747 4.354 . 0 0 "[ . 1 . 2 . 3]" 1 414 1 25 ALA H 1 26 LEU H 2.400 . 2.700 2.673 2.576 2.739 0.039 29 0 "[ . 1 . 2 . 3]" 1 415 1 23 GLU QB 1 25 ALA H 4.000 . 5.000 4.270 4.088 4.507 . 0 0 "[ . 1 . 2 . 3]" 1 416 1 26 LEU HA 1 26 LEU MD1 4.000 . 5.500 3.875 3.828 3.915 . 0 0 "[ . 1 . 2 . 3]" 1 417 1 26 LEU HA 1 44 TRP HE1 3.000 . 3.300 2.620 2.189 3.017 . 0 0 "[ . 1 . 2 . 3]" 1 418 1 26 LEU HA 1 26 LEU HB3 3.000 . 3.300 2.391 2.354 2.420 . 0 0 "[ . 1 . 2 . 3]" 1 419 1 26 LEU HA 1 27 PRO QD 3.000 . 3.300 2.015 1.915 2.093 . 0 0 "[ . 1 . 2 . 3]" 1 420 1 26 LEU HA 1 26 LEU HG 4.000 . 5.000 3.139 3.083 3.257 . 0 0 "[ . 1 . 2 . 3]" 1 421 1 26 LEU HA 1 26 LEU MD2 2.400 . 3.200 1.992 1.863 2.099 . 0 0 "[ . 1 . 2 . 3]" 1 422 1 26 LEU H 1 26 LEU HA 3.000 . 3.300 2.914 2.887 2.945 . 0 0 "[ . 1 . 2 . 3]" 1 423 1 26 LEU HA 1 44 TRP HD1 4.000 . 5.000 4.264 3.894 4.644 . 0 0 "[ . 1 . 2 . 3]" 1 424 1 26 LEU HB2 1 26 LEU MD1 3.000 . 3.800 2.249 2.154 2.384 . 0 0 "[ . 1 . 2 . 3]" 1 425 1 21 LYS HA 1 26 LEU HB2 3.000 . 3.300 2.632 2.390 2.765 . 0 0 "[ . 1 . 2 . 3]" 1 426 1 26 LEU H 1 26 LEU HB2 3.000 . 3.300 2.674 2.608 2.744 . 0 0 "[ . 1 . 2 . 3]" 1 427 1 26 LEU HB2 1 30 TYR QB 4.000 . 5.000 2.654 2.439 2.964 . 0 0 "[ . 1 . 2 . 3]" 1 428 1 26 LEU H 1 26 LEU HB3 4.000 . 5.000 3.627 3.602 3.655 . 0 0 "[ . 1 . 2 . 3]" 1 429 1 26 LEU HB3 1 30 TYR QB 3.000 . 3.300 2.304 1.983 2.968 . 0 0 "[ . 1 . 2 . 3]" 1 430 1 21 LYS HA 1 26 LEU HB3 4.000 . 5.000 3.972 3.780 4.119 . 0 0 "[ . 1 . 2 . 3]" 1 431 1 26 LEU HB3 1 26 LEU MD1 3.000 . 3.800 2.430 2.304 2.499 . 0 0 "[ . 1 . 2 . 3]" 1 432 1 26 LEU H 1 26 LEU MD1 4.000 . 5.500 3.440 3.362 3.532 . 0 0 "[ . 1 . 2 . 3]" 1 433 1 26 LEU MD1 1 37 LEU MD1 4.000 . 6.000 2.863 2.552 3.308 . 0 0 "[ . 1 . 2 . 3]" 1 434 1 26 LEU MD1 1 30 TYR QD 4.000 . 5.500 2.585 1.889 2.698 . 0 0 "[ . 1 . 2 . 3]" 1 435 1 26 LEU MD2 1 44 TRP HE1 4.000 . 5.500 2.734 1.980 3.294 . 0 0 "[ . 1 . 2 . 3]" 1 436 1 26 LEU MD2 1 27 PRO QD 3.000 . 3.800 2.706 2.615 2.827 . 0 0 "[ . 1 . 2 . 3]" 1 437 1 26 LEU H 1 26 LEU MD2 4.000 . 5.500 3.122 2.979 3.205 . 0 0 "[ . 1 . 2 . 3]" 1 438 1 26 LEU MD2 1 45 VAL H 4.000 . 5.500 4.449 3.578 4.603 . 0 0 "[ . 1 . 2 . 3]" 1 439 1 26 LEU MD2 1 40 ALA MB 4.000 . 6.000 1.913 1.734 2.107 0.066 16 0 "[ . 1 . 2 . 3]" 1 440 1 24 LEU H 1 26 LEU MD2 4.000 . 5.500 4.547 4.400 4.606 . 0 0 "[ . 1 . 2 . 3]" 1 441 1 26 LEU MD2 1 44 TRP HD1 3.000 . 3.800 2.668 2.140 3.062 . 0 0 "[ . 1 . 2 . 3]" 1 442 1 21 LYS QB 1 26 LEU H 4.000 . 5.000 3.870 3.366 4.112 . 0 0 "[ . 1 . 2 . 3]" 1 443 1 27 PRO HA 1 28 GLU QB 4.000 . 5.000 4.379 4.317 4.630 . 0 0 "[ . 1 . 2 . 3]" 1 444 1 27 PRO HA 1 27 PRO QD 4.000 . 5.000 3.492 3.470 3.514 . 0 0 "[ . 1 . 2 . 3]" 1 445 1 27 PRO QB 1 29 TYR H 4.000 . 5.000 2.843 2.638 3.169 . 0 0 "[ . 1 . 2 . 3]" 1 446 1 26 LEU HB3 1 27 PRO QD 3.000 . 3.300 1.730 1.659 1.807 0.141 4 0 "[ . 1 . 2 . 3]" 1 447 1 26 LEU HB2 1 27 PRO QD 3.000 . 3.300 2.974 2.904 3.025 . 0 0 "[ . 1 . 2 . 3]" 1 448 1 27 PRO QD 1 30 TYR QB 4.000 . 5.000 2.119 1.825 2.807 . 0 0 "[ . 1 . 2 . 3]" 1 449 1 21 LYS QD 1 28 GLU HA 4.000 . 5.000 3.899 3.518 4.251 . 0 0 "[ . 1 . 2 . 3]" 1 450 1 28 GLU HA 1 29 TYR H 4.000 . 5.000 3.578 3.556 3.600 . 0 0 "[ . 1 . 2 . 3]" 1 451 1 21 LYS QE 1 28 GLU HA 2.400 . 2.700 2.351 2.141 2.447 . 0 0 "[ . 1 . 2 . 3]" 1 452 1 28 GLU QB 1 29 TYR H 3.000 . 3.300 2.441 2.282 2.797 . 0 0 "[ . 1 . 2 . 3]" 1 453 1 28 GLU H 1 28 GLU QB 3.000 . 3.300 2.282 2.247 2.638 . 0 0 "[ . 1 . 2 . 3]" 1 454 1 27 PRO QB 1 28 GLU H 3.000 . 3.300 2.065 1.907 2.581 . 0 0 "[ . 1 . 2 . 3]" 1 455 1 27 PRO HA 1 28 GLU H 2.400 . 2.700 2.691 2.345 2.751 0.051 5 0 "[ . 1 . 2 . 3]" 1 456 1 29 TYR HA 1 29 TYR HB3 3.000 . 3.300 2.447 2.323 2.623 . 0 0 "[ . 1 . 2 . 3]" 1 457 1 29 TYR HA 1 29 TYR HB2 3.000 . 3.300 2.483 2.327 2.616 . 0 0 "[ . 1 . 2 . 3]" 1 458 1 29 TYR H 1 29 TYR HB2 4.000 . 5.000 3.610 3.579 3.627 . 0 0 "[ . 1 . 2 . 3]" 1 459 1 29 TYR HB2 1 30 TYR H 4.000 . 5.000 4.179 3.944 4.415 . 0 0 "[ . 1 . 2 . 3]" 1 460 1 29 TYR HB3 1 30 TYR H 4.000 . 5.000 4.301 3.979 4.527 . 0 0 "[ . 1 . 2 . 3]" 1 461 1 29 TYR H 1 29 TYR HB3 4.000 . 5.000 2.621 2.299 2.948 . 0 0 "[ . 1 . 2 . 3]" 1 462 1 29 TYR QD 1 36 ALA MB 4.000 . 5.500 4.115 4.047 4.154 . 0 0 "[ . 1 . 2 . 3]" 1 463 1 29 TYR HB2 1 29 TYR QD 3.000 . 3.300 2.557 2.318 2.634 . 0 0 "[ . 1 . 2 . 3]" 1 464 1 29 TYR HB3 1 29 TYR QD 3.000 . 3.300 2.334 2.293 2.567 . 0 0 "[ . 1 . 2 . 3]" 1 465 1 27 PRO QB 1 29 TYR QD 4.000 . 5.000 3.234 2.150 3.589 . 0 0 "[ . 1 . 2 . 3]" 1 466 1 27 PRO QG 1 29 TYR QD 4.000 . 5.000 2.996 2.485 3.309 . 0 0 "[ . 1 . 2 . 3]" 1 467 1 29 TYR QD 1 30 TYR HA 4.000 . 5.000 2.871 2.540 4.146 . 0 0 "[ . 1 . 2 . 3]" 1 468 1 28 GLU QB 1 29 TYR QD 4.000 . 5.000 4.000 3.973 4.058 . 0 0 "[ . 1 . 2 . 3]" 1 469 1 27 PRO QG 1 29 TYR QE 4.000 . 5.000 2.165 1.732 2.468 0.068 25 0 "[ . 1 . 2 . 3]" 1 470 1 29 TYR H 1 29 TYR HA 3.000 . 3.300 2.856 2.817 2.910 . 0 0 "[ . 1 . 2 . 3]" 1 471 1 29 TYR H 1 29 TYR QD 3.000 . 3.300 2.601 2.042 2.825 . 0 0 "[ . 1 . 2 . 3]" 1 472 1 29 TYR H 1 30 TYR H 3.000 . 3.300 2.709 2.639 2.873 . 0 0 "[ . 1 . 2 . 3]" 1 473 1 30 TYR HA 1 30 TYR QD 3.000 . 3.300 2.212 1.866 3.117 . 0 0 "[ . 1 . 2 . 3]" 1 474 1 30 TYR H 1 30 TYR HA 3.000 . 3.300 2.717 2.662 2.772 . 0 0 "[ . 1 . 2 . 3]" 1 475 1 30 TYR HA 1 31 GLY H 3.000 . 3.300 2.207 2.169 2.335 . 0 0 "[ . 1 . 2 . 3]" 1 476 1 21 LYS QD 1 30 TYR QB 4.000 . 5.000 2.251 1.731 2.661 0.069 11 0 "[ . 1 . 2 . 3]" 1 477 1 30 TYR H 1 30 TYR QB 2.400 . 2.700 2.302 2.202 2.353 . 0 0 "[ . 1 . 2 . 3]" 1 478 1 21 LYS QD 1 30 TYR QD 3.000 . 3.300 2.047 1.768 2.662 0.032 22 0 "[ . 1 . 2 . 3]" 1 479 1 21 LYS QB 1 30 TYR QD 4.000 . 5.000 2.439 1.873 3.796 . 0 0 "[ . 1 . 2 . 3]" 1 480 1 21 LYS QB 1 30 TYR QE 4.000 . 5.000 2.897 2.059 4.012 . 0 0 "[ . 1 . 2 . 3]" 1 481 1 26 LEU MD2 1 30 TYR QE 4.000 . 5.500 4.014 3.585 4.103 . 0 0 "[ . 1 . 2 . 3]" 1 482 1 20 LEU MD1 1 30 TYR QE 4.000 . 5.500 3.885 3.514 4.155 . 0 0 "[ . 1 . 2 . 3]" 1 483 1 30 TYR QE 1 32 GLU HA 4.000 . 5.000 2.906 1.807 3.444 . 0 0 "[ . 1 . 2 . 3]" 1 484 1 26 LEU MD1 1 30 TYR QE 3.000 . 3.800 2.435 1.714 2.683 0.086 11 0 "[ . 1 . 2 . 3]" 1 485 1 17 HIS HB3 1 30 TYR QE 3.000 . 3.300 2.409 1.893 2.971 . 0 0 "[ . 1 . 2 . 3]" 1 486 1 30 TYR QE 1 37 LEU MD1 4.000 . 5.500 3.179 2.469 3.550 . 0 0 "[ . 1 . 2 . 3]" 1 487 1 30 TYR QE 1 37 LEU QB 4.000 . 5.000 2.702 2.337 3.430 . 0 0 "[ . 1 . 2 . 3]" 1 488 1 21 LYS QD 1 30 TYR QE 4.000 . 5.000 3.816 3.482 3.990 . 0 0 "[ . 1 . 2 . 3]" 1 489 1 30 TYR QE 1 32 GLU QB 4.000 . 5.000 3.853 3.366 4.006 . 0 0 "[ . 1 . 2 . 3]" 1 490 1 30 TYR QB 1 30 TYR QE 4.000 . 5.000 3.984 3.965 3.996 . 0 0 "[ . 1 . 2 . 3]" 1 491 1 30 TYR QE 1 36 ALA MB 4.000 . 5.500 2.549 1.913 3.689 . 0 0 "[ . 1 . 2 . 3]" 1 492 1 30 TYR QE 1 37 LEU HG 4.000 . 5.000 4.248 3.584 4.515 . 0 0 "[ . 1 . 2 . 3]" 1 493 1 17 HIS HB2 1 30 TYR QE 4.000 . 5.000 3.986 3.391 4.461 . 0 0 "[ . 1 . 2 . 3]" 1 494 1 30 TYR QE 1 37 LEU HA 3.000 . 3.300 2.286 1.857 2.688 . 0 0 "[ . 1 . 2 . 3]" 1 495 1 17 HIS HA 1 30 TYR QE 4.000 . 5.000 3.060 2.232 4.005 . 0 0 "[ . 1 . 2 . 3]" 1 496 1 27 PRO QG 1 30 TYR H 4.000 . 5.000 2.886 2.662 3.213 . 0 0 "[ . 1 . 2 . 3]" 1 497 1 28 GLU QG 1 30 TYR H 4.000 . 5.000 4.440 3.740 4.477 . 0 0 "[ . 1 . 2 . 3]" 1 498 1 21 LYS QD 1 30 TYR H 4.000 . 5.000 4.103 3.445 4.393 . 0 0 "[ . 1 . 2 . 3]" 1 499 1 29 TYR HA 1 30 TYR H 3.000 . 3.300 3.355 3.257 3.409 0.109 8 0 "[ . 1 . 2 . 3]" 1 500 1 28 GLU QB 1 30 TYR H 4.000 . 5.000 4.346 4.273 4.446 . 0 0 "[ . 1 . 2 . 3]" 1 501 1 27 PRO QB 1 30 TYR H 4.000 . 5.000 3.404 3.178 3.708 . 0 0 "[ . 1 . 2 . 3]" 1 502 1 29 TYR QD 1 30 TYR H 3.000 . 3.300 3.023 2.983 3.069 . 0 0 "[ . 1 . 2 . 3]" 1 503 1 26 LEU HB2 1 30 TYR H 4.000 . 5.000 5.067 5.000 5.146 0.146 8 0 "[ . 1 . 2 . 3]" 1 504 1 30 TYR H 1 31 GLY H 4.000 . 5.000 4.520 4.347 4.697 . 0 0 "[ . 1 . 2 . 3]" 1 505 1 31 GLY H 1 31 GLY QA 2.400 . 2.700 2.291 2.234 2.448 . 0 0 "[ . 1 . 2 . 3]" 1 506 1 30 TYR HA 1 31 GLY QA 4.000 . 5.000 3.969 3.940 3.999 . 0 0 "[ . 1 . 2 . 3]" 1 507 1 31 GLY QA 1 36 ALA MB 3.000 . 3.800 2.147 1.761 2.837 0.039 29 0 "[ . 1 . 2 . 3]" 1 508 1 31 GLY QA 1 33 ASN QD 4.000 . 5.000 2.556 1.811 3.844 . 0 0 "[ . 1 . 2 . 3]" 1 509 1 31 GLY QA 1 32 GLU QB 4.000 . 5.000 3.951 3.739 4.053 . 0 0 "[ . 1 . 2 . 3]" 1 510 1 30 TYR QB 1 31 GLY H 4.000 . 5.000 3.778 3.453 3.943 . 0 0 "[ . 1 . 2 . 3]" 1 511 1 31 GLY H 1 36 ALA MB 2.400 . 3.200 1.790 1.720 1.968 0.080 8 0 "[ . 1 . 2 . 3]" 1 512 1 30 TYR QD 1 31 GLY H 2.400 . 2.700 2.405 1.883 2.536 . 0 0 "[ . 1 . 2 . 3]" 1 513 1 32 GLU HA 1 33 ASN H 4.000 . 5.000 2.820 2.323 3.446 . 0 0 "[ . 1 . 2 . 3]" 1 514 1 33 ASN HA 1 37 LEU QB 4.000 . 5.000 4.453 4.184 4.642 . 0 0 "[ . 1 . 2 . 3]" 1 515 1 33 ASN HA 1 33 ASN HB3 2.400 . 2.700 2.305 2.242 2.516 . 0 0 "[ . 1 . 2 . 3]" 1 516 1 33 ASN HA 1 33 ASN HB2 2.400 . 2.700 2.732 2.624 2.989 0.289 20 0 "[ . 1 . 2 . 3]" 1 517 1 33 ASN HA 1 33 ASN QB 2.400 . 2.700 2.187 2.158 2.392 . 0 0 "[ . 1 . 2 . 3]" 1 518 1 33 ASN H 1 36 ALA MB 3.000 . 3.800 3.036 2.600 3.248 . 0 0 "[ . 1 . 2 . 3]" 1 519 1 33 ASN H 1 33 ASN HB2 4.000 . 5.000 3.601 2.691 3.991 . 0 0 "[ . 1 . 2 . 3]" 1 520 1 34 LEU QB 1 35 ASP H 4.000 . 5.000 3.504 2.838 3.787 . 0 0 "[ . 1 . 2 . 3]" 1 521 1 34 LEU QB 1 34 LEU MD1 3.000 . 3.800 2.050 1.891 2.485 . 0 0 "[ . 1 . 2 . 3]" 1 522 1 34 LEU HA 1 34 LEU MD1 4.000 . 5.500 3.814 1.801 4.102 . 0 0 "[ . 1 . 2 . 3]" 1 523 1 34 LEU MD1 1 69 SER QB 4.000 . 5.500 3.526 1.807 4.091 . 0 0 "[ . 1 . 2 . 3]" 1 524 1 34 LEU MD2 1 72 GLN QE 4.000 . 5.500 3.725 1.805 4.084 . 0 0 "[ . 1 . 2 . 3]" 1 525 1 34 LEU MD2 1 69 SER QB 4.000 . 5.500 1.814 1.688 2.724 0.112 27 0 "[ . 1 . 2 . 3]" 1 526 1 34 LEU MD2 1 70 VAL HA 4.000 . 5.500 4.339 2.928 4.633 . 0 0 "[ . 1 . 2 . 3]" 1 527 1 34 LEU H 1 34 LEU MD2 4.000 . 5.500 2.216 1.766 3.556 0.034 29 0 "[ . 1 . 2 . 3]" 1 528 1 33 ASN HB3 1 34 LEU H 3.000 . 3.300 3.078 2.037 3.358 0.058 14 0 "[ . 1 . 2 . 3]" 1 529 1 33 ASN HB2 1 34 LEU H 3.000 . 3.300 2.097 1.814 3.310 0.010 20 0 "[ . 1 . 2 . 3]" 1 530 1 33 ASN HA 1 34 LEU H 3.000 . 3.300 2.694 2.431 2.899 . 0 0 "[ . 1 . 2 . 3]" 1 531 1 34 LEU H 1 35 ASP H 4.000 . 5.000 2.514 2.373 2.751 . 0 0 "[ . 1 . 2 . 3]" 1 532 1 35 ASP HA 1 38 TRP QB 4.000 . 5.000 2.980 2.826 3.342 . 0 0 "[ . 1 . 2 . 3]" 1 533 1 35 ASP HA 1 38 TRP H 4.000 . 5.000 4.003 3.804 4.422 . 0 0 "[ . 1 . 2 . 3]" 1 534 1 35 ASP H 1 35 ASP HA 3.000 . 3.300 2.920 2.879 2.931 . 0 0 "[ . 1 . 2 . 3]" 1 535 1 35 ASP HA 1 35 ASP HB3 3.000 . 3.300 2.273 2.238 2.361 . 0 0 "[ . 1 . 2 . 3]" 1 536 1 35 ASP HA 1 35 ASP HB2 3.000 . 3.300 2.711 2.551 2.791 . 0 0 "[ . 1 . 2 . 3]" 1 537 1 35 ASP H 1 35 ASP HB2 3.000 . 3.300 3.453 3.382 3.552 0.252 28 0 "[ . 1 . 2 . 3]" 1 538 1 35 ASP HB2 1 39 ASP H 4.000 . 5.000 5.152 5.103 5.204 0.204 30 0 "[ . 1 . 2 . 3]" 1 539 1 35 ASP HB3 1 36 ALA H 4.000 . 5.000 3.919 3.772 4.002 . 0 0 "[ . 1 . 2 . 3]" 1 540 1 35 ASP H 1 35 ASP HB3 3.000 . 3.300 3.245 2.887 3.389 0.089 11 0 "[ . 1 . 2 . 3]" 1 541 1 35 ASP H 1 36 ALA H 2.400 . 2.700 2.633 2.542 2.740 0.040 10 0 "[ . 1 . 2 . 3]" 1 542 1 33 ASN QB 1 35 ASP H 4.000 . 5.000 2.368 2.048 2.610 . 0 0 "[ . 1 . 2 . 3]" 1 543 1 34 LEU HA 1 35 ASP H 4.000 . 5.000 3.409 3.330 3.502 . 0 0 "[ . 1 . 2 . 3]" 1 544 1 34 LEU MD2 1 35 ASP H 4.000 . 5.500 4.009 3.644 4.739 . 0 0 "[ . 1 . 2 . 3]" 1 545 1 35 ASP H 1 36 ALA MB 4.000 . 5.500 4.343 4.225 4.436 . 0 0 "[ . 1 . 2 . 3]" 1 546 1 36 ALA MB 1 39 ASP HB3 4.000 . 5.500 4.472 4.310 4.603 . 0 0 "[ . 1 . 2 . 3]" 1 547 1 36 ALA MB 1 37 LEU QB 4.000 . 5.500 3.868 3.761 4.075 . 0 0 "[ . 1 . 2 . 3]" 1 548 1 35 ASP HB2 1 36 ALA MB 4.000 . 5.500 3.916 3.726 4.317 . 0 0 "[ . 1 . 2 . 3]" 1 549 1 30 TYR QD 1 36 ALA MB 3.000 . 3.800 2.327 1.834 2.897 . 0 0 "[ . 1 . 2 . 3]" 1 550 1 36 ALA MB 1 37 LEU H 3.000 . 3.800 2.617 2.367 2.872 . 0 0 "[ . 1 . 2 . 3]" 1 551 1 36 ALA H 1 36 ALA MB 3.000 . 3.800 2.203 2.077 2.280 . 0 0 "[ . 1 . 2 . 3]" 1 552 1 36 ALA MB 1 39 ASP H 4.000 . 5.500 4.544 4.481 4.600 . 0 0 "[ . 1 . 2 . 3]" 1 553 1 36 ALA H 1 36 ALA HA 3.000 . 3.300 2.893 2.855 2.908 . 0 0 "[ . 1 . 2 . 3]" 1 554 1 33 ASN QD 1 36 ALA H 4.000 . 5.000 2.933 1.755 4.470 0.045 15 0 "[ . 1 . 2 . 3]" 1 555 1 35 ASP HB2 1 36 ALA H 3.000 . 3.300 2.821 2.522 3.287 . 0 0 "[ . 1 . 2 . 3]" 1 556 1 35 ASP HA 1 36 ALA H 4.000 . 5.000 3.588 3.570 3.597 . 0 0 "[ . 1 . 2 . 3]" 1 557 1 36 ALA H 1 37 LEU QB 4.000 . 5.000 4.289 4.161 4.463 . 0 0 "[ . 1 . 2 . 3]" 1 558 1 37 LEU HA 1 37 LEU HG 3.000 . 3.300 2.431 2.351 2.529 . 0 0 "[ . 1 . 2 . 3]" 1 559 1 37 LEU HA 1 37 LEU MD1 3.000 . 3.800 2.864 2.745 3.028 . 0 0 "[ . 1 . 2 . 3]" 1 560 1 37 LEU QB 1 37 LEU MD1 3.000 . 3.800 2.011 1.885 2.086 . 0 0 "[ . 1 . 2 . 3]" 1 561 1 37 LEU MD1 1 40 ALA MB 4.000 . 6.000 3.889 3.755 3.994 . 0 0 "[ . 1 . 2 . 3]" 1 562 1 37 LEU MD1 1 74 PHE QE 3.000 . 3.800 2.193 1.848 2.478 . 0 0 "[ . 1 . 2 . 3]" 1 563 1 37 LEU H 1 37 LEU MD1 4.000 . 5.500 4.213 4.104 4.306 . 0 0 "[ . 1 . 2 . 3]" 1 564 1 37 LEU H 1 37 LEU QB 2.400 . 2.700 2.279 2.247 2.292 . 0 0 "[ . 1 . 2 . 3]" 1 565 1 37 LEU H 1 38 TRP QB 4.000 . 5.000 4.355 4.262 4.508 . 0 0 "[ . 1 . 2 . 3]" 1 566 1 36 ALA HA 1 37 LEU H 3.000 . 3.300 3.491 3.457 3.533 0.233 21 0 "[ . 1 . 2 . 3]" 1 567 1 38 TRP HA 1 41 LEU MD1 3.000 . 3.800 3.101 2.891 3.176 . 0 0 "[ . 1 . 2 . 3]" 1 568 1 38 TRP HA 1 38 TRP HE3 3.000 . 3.300 2.485 2.300 2.933 . 0 0 "[ . 1 . 2 . 3]" 1 569 1 38 TRP HA 1 41 LEU H 4.000 . 5.000 3.817 3.406 3.993 . 0 0 "[ . 1 . 2 . 3]" 1 570 1 37 LEU MD2 1 38 TRP HA 3.000 . 3.800 3.249 3.199 3.318 . 0 0 "[ . 1 . 2 . 3]" 1 571 1 38 TRP HA 1 73 VAL MG1 3.000 . 3.800 1.733 1.673 1.802 0.127 24 0 "[ . 1 . 2 . 3]" 1 572 1 38 TRP H 1 38 TRP HA 3.000 . 3.300 2.842 2.824 2.863 . 0 0 "[ . 1 . 2 . 3]" 1 573 1 38 TRP HA 1 40 ALA H 4.000 . 5.000 3.971 3.831 4.051 . 0 0 "[ . 1 . 2 . 3]" 1 574 1 38 TRP HA 1 77 ALA MB 4.000 . 5.500 4.569 4.407 4.633 . 0 0 "[ . 1 . 2 . 3]" 1 575 1 38 TRP HA 1 73 VAL MG2 4.000 . 5.500 3.454 3.189 3.679 . 0 0 "[ . 1 . 2 . 3]" 1 576 1 38 TRP HA 1 41 LEU QB 4.000 . 5.000 2.642 2.286 2.831 . 0 0 "[ . 1 . 2 . 3]" 1 577 1 38 TRP H 1 38 TRP QB 2.400 . 2.700 2.214 2.169 2.235 . 0 0 "[ . 1 . 2 . 3]" 1 578 1 38 TRP HA 1 38 TRP HD1 4.000 . 5.000 4.583 4.457 4.635 . 0 0 "[ . 1 . 2 . 3]" 1 579 1 38 TRP HD1 1 42 THR MG 4.000 . 5.500 3.899 3.378 4.352 . 0 0 "[ . 1 . 2 . 3]" 1 580 1 38 TRP HD1 1 73 VAL MG2 4.000 . 5.500 4.729 4.678 4.802 . 0 0 "[ . 1 . 2 . 3]" 1 581 1 38 TRP HD1 1 73 VAL MG1 4.000 . 5.500 4.510 4.360 4.649 . 0 0 "[ . 1 . 2 . 3]" 1 582 1 38 TRP HE3 1 77 ALA MB 4.000 . 5.500 3.258 3.062 3.388 . 0 0 "[ . 1 . 2 . 3]" 1 583 1 38 TRP HE3 1 41 LEU MD1 4.000 . 5.500 3.692 3.568 3.801 . 0 0 "[ . 1 . 2 . 3]" 1 584 1 38 TRP HE3 1 73 VAL MG1 3.000 . 3.800 1.663 1.616 1.780 0.184 14 0 "[ . 1 . 2 . 3]" 1 585 1 37 LEU MD2 1 38 TRP HE3 4.000 . 5.500 4.142 4.007 4.424 . 0 0 "[ . 1 . 2 . 3]" 1 586 1 38 TRP HE3 1 73 VAL HA 4.000 . 5.000 3.104 2.748 3.356 . 0 0 "[ . 1 . 2 . 3]" 1 587 1 38 TRP HH2 1 77 ALA MB 4.000 . 5.500 4.134 3.940 4.291 . 0 0 "[ . 1 . 2 . 3]" 1 588 1 38 TRP HH2 1 77 ALA HA 3.000 . 3.300 2.932 2.736 3.103 . 0 0 "[ . 1 . 2 . 3]" 1 589 1 38 TRP HH2 1 80 GLU QG 3.000 . 3.300 2.061 1.861 2.895 . 0 0 "[ . 1 . 2 . 3]" 1 590 1 38 TRP HH2 1 76 GLU QB 4.000 . 5.000 3.179 2.926 3.421 . 0 0 "[ . 1 . 2 . 3]" 1 591 1 37 LEU H 1 38 TRP H 3.000 . 3.300 2.737 2.634 2.917 . 0 0 "[ . 1 . 2 . 3]" 1 592 1 37 LEU QB 1 38 TRP H 2.400 . 2.700 2.219 2.126 2.306 . 0 0 "[ . 1 . 2 . 3]" 1 593 1 37 LEU MD2 1 38 TRP H 3.000 . 3.800 3.034 2.752 3.223 . 0 0 "[ . 1 . 2 . 3]" 1 594 1 37 LEU MD1 1 38 TRP H 4.000 . 5.500 4.588 4.488 4.617 . 0 0 "[ . 1 . 2 . 3]" 1 595 1 38 TRP H 1 73 VAL MG1 4.000 . 5.500 2.570 2.367 2.939 . 0 0 "[ . 1 . 2 . 3]" 1 596 1 38 TRP H 1 41 LEU MD1 4.000 . 5.500 4.249 4.053 4.454 . 0 0 "[ . 1 . 2 . 3]" 1 597 1 38 TRP HZ2 1 76 GLU QB 4.000 . 5.000 4.360 4.091 4.520 . 0 0 "[ . 1 . 2 . 3]" 1 598 1 38 TRP HZ2 1 80 GLU HG3 4.000 . 5.000 3.754 3.399 4.641 . 0 0 "[ . 1 . 2 . 3]" 1 599 1 38 TRP HZ2 1 42 THR MG 4.000 . 5.500 3.166 2.910 3.449 . 0 0 "[ . 1 . 2 . 3]" 1 600 1 38 TRP HZ3 1 42 THR MG 4.000 . 5.500 3.210 2.621 3.892 . 0 0 "[ . 1 . 2 . 3]" 1 601 1 38 TRP HZ3 1 76 GLU QG 4.000 . 5.000 4.526 4.473 4.570 . 0 0 "[ . 1 . 2 . 3]" 1 602 1 38 TRP HZ3 1 80 GLU QG 4.000 . 5.000 3.544 3.232 4.319 . 0 0 "[ . 1 . 2 . 3]" 1 603 1 38 TRP HZ3 1 76 GLU QB 4.000 . 5.000 2.501 2.435 2.553 . 0 0 "[ . 1 . 2 . 3]" 1 604 1 38 TRP HZ3 1 77 ALA MB 3.000 . 3.800 2.438 2.192 2.603 . 0 0 "[ . 1 . 2 . 3]" 1 605 1 38 TRP HZ3 1 77 ALA HA 3.000 . 3.300 2.157 1.925 2.320 . 0 0 "[ . 1 . 2 . 3]" 1 606 1 38 TRP HZ3 1 73 VAL MG1 4.000 . 5.500 3.528 3.371 3.908 . 0 0 "[ . 1 . 2 . 3]" 1 607 1 39 ASP HA 1 39 ASP HB3 3.000 . 3.300 2.758 2.674 2.776 . 0 0 "[ . 1 . 2 . 3]" 1 608 1 39 ASP HA 1 39 ASP HB2 3.000 . 3.300 2.936 2.924 2.983 . 0 0 "[ . 1 . 2 . 3]" 1 609 1 39 ASP H 1 39 ASP HA 3.000 . 3.300 2.852 2.793 2.876 . 0 0 "[ . 1 . 2 . 3]" 1 610 1 39 ASP H 1 39 ASP HB2 3.000 . 3.300 2.139 2.111 2.219 . 0 0 "[ . 1 . 2 . 3]" 1 611 1 38 TRP H 1 39 ASP HB2 4.000 . 5.000 4.431 4.340 4.503 . 0 0 "[ . 1 . 2 . 3]" 1 612 1 36 ALA HA 1 39 ASP HB2 3.000 . 3.300 2.073 1.942 2.183 . 0 0 "[ . 1 . 2 . 3]" 1 613 1 39 ASP H 1 39 ASP HB3 4.000 . 5.000 3.450 3.414 3.535 . 0 0 "[ . 1 . 2 . 3]" 1 614 1 36 ALA HA 1 39 ASP HB3 3.000 . 3.300 3.241 3.079 3.322 0.022 18 0 "[ . 1 . 2 . 3]" 1 615 1 38 TRP HA 1 39 ASP H 3.000 . 3.300 3.493 3.475 3.512 0.212 21 0 "[ . 1 . 2 . 3]" 1 616 1 38 TRP QB 1 39 ASP H 2.400 . 2.700 2.469 2.427 2.515 . 0 0 "[ . 1 . 2 . 3]" 1 617 1 37 LEU QB 1 39 ASP H 4.000 . 5.000 4.372 4.247 4.456 . 0 0 "[ . 1 . 2 . 3]" 1 618 1 40 ALA HA 1 44 TRP QB 3.000 . 3.300 1.839 1.735 2.045 0.065 20 0 "[ . 1 . 2 . 3]" 1 619 1 27 PRO QD 1 40 ALA MB 4.000 . 5.500 3.791 3.471 4.075 . 0 0 "[ . 1 . 2 . 3]" 1 620 1 40 ALA MB 1 44 TRP HA 4.000 . 5.500 4.639 4.613 4.673 . 0 0 "[ . 1 . 2 . 3]" 1 621 1 40 ALA MB 1 44 TRP HD1 4.000 . 5.500 3.199 2.838 3.434 . 0 0 "[ . 1 . 2 . 3]" 1 622 1 26 LEU MD1 1 40 ALA MB 3.000 . 4.300 2.951 2.613 3.006 . 0 0 "[ . 1 . 2 . 3]" 1 623 1 40 ALA MB 1 45 VAL MG2 3.000 . 4.300 2.922 2.430 3.023 . 0 0 "[ . 1 . 2 . 3]" 1 624 1 40 ALA MB 1 44 TRP QB 3.000 . 3.800 2.038 1.949 2.188 . 0 0 "[ . 1 . 2 . 3]" 1 625 1 40 ALA MB 1 41 LEU H 3.000 . 3.800 1.896 1.849 2.119 . 0 0 "[ . 1 . 2 . 3]" 1 626 1 40 ALA H 1 40 ALA MB 2.400 . 3.200 2.285 2.149 2.325 . 0 0 "[ . 1 . 2 . 3]" 1 627 1 37 LEU QB 1 40 ALA H 4.000 . 5.000 4.613 4.574 4.705 . 0 0 "[ . 1 . 2 . 3]" 1 628 1 40 ALA H 1 42 THR MG 4.000 . 5.500 4.506 4.125 4.665 . 0 0 "[ . 1 . 2 . 3]" 1 629 1 39 ASP HB3 1 40 ALA H 3.000 . 3.300 3.330 3.294 3.367 0.067 11 0 "[ . 1 . 2 . 3]" 1 630 1 40 ALA H 1 40 ALA HA 3.000 . 3.300 2.939 2.936 2.945 . 0 0 "[ . 1 . 2 . 3]" 1 631 1 39 ASP HA 1 40 ALA H 3.000 . 3.300 3.484 3.470 3.499 0.199 23 0 "[ . 1 . 2 . 3]" 1 632 1 40 ALA H 1 41 LEU H 2.400 . 2.700 2.819 2.784 2.839 0.139 5 0 "[ . 1 . 2 . 3]" 1 633 1 40 ALA H 1 41 LEU QB 4.000 . 5.000 4.286 4.162 4.395 . 0 0 "[ . 1 . 2 . 3]" 1 634 1 38 TRP QB 1 40 ALA H 4.000 . 5.000 4.490 4.463 4.541 . 0 0 "[ . 1 . 2 . 3]" 1 635 1 41 LEU HA 1 45 VAL HB 3.000 . 3.300 1.789 1.754 1.832 0.046 17 0 "[ . 1 . 2 . 3]" 1 636 1 41 LEU HA 1 41 LEU MD2 2.400 . 3.200 2.358 2.087 2.535 . 0 0 "[ . 1 . 2 . 3]" 1 637 1 41 LEU HA 1 41 LEU MD1 4.000 . 5.500 3.739 3.655 3.812 . 0 0 "[ . 1 . 2 . 3]" 1 638 1 41 LEU HA 1 42 THR H 3.000 . 3.300 3.520 3.479 3.543 0.243 23 0 "[ . 1 . 2 . 3]" 1 639 1 41 LEU QB 1 41 LEU MD1 3.000 . 3.800 2.074 2.006 2.123 . 0 0 "[ . 1 . 2 . 3]" 1 640 1 41 LEU H 1 41 LEU QB 3.000 . 3.300 2.393 2.295 2.503 . 0 0 "[ . 1 . 2 . 3]" 1 641 1 37 LEU HG 1 41 LEU MD1 3.000 . 3.800 2.112 1.846 2.365 . 0 0 "[ . 1 . 2 . 3]" 1 642 1 41 LEU MD1 1 73 VAL MG2 4.000 . 6.000 4.056 3.820 4.164 . 0 0 "[ . 1 . 2 . 3]" 1 643 1 41 LEU MD1 1 74 PHE HA 3.000 . 3.800 1.953 1.807 2.198 . 0 0 "[ . 1 . 2 . 3]" 1 644 1 41 LEU MD1 1 73 VAL MG1 4.000 . 6.000 2.061 1.664 2.225 0.136 21 0 "[ . 1 . 2 . 3]" 1 645 1 41 LEU MD1 1 74 PHE HZ 3.000 . 3.800 3.220 3.170 3.261 . 0 0 "[ . 1 . 2 . 3]" 1 646 1 41 LEU MD1 1 74 PHE H 3.000 . 3.800 3.213 3.024 3.264 . 0 0 "[ . 1 . 2 . 3]" 1 647 1 41 LEU H 1 41 LEU MD1 3.000 . 3.800 3.159 2.947 3.221 . 0 0 "[ . 1 . 2 . 3]" 1 648 1 41 LEU QB 1 41 LEU MD2 3.000 . 3.800 2.145 2.059 2.215 . 0 0 "[ . 1 . 2 . 3]" 1 649 1 41 LEU MD2 1 74 PHE HZ 3.000 . 3.800 3.233 3.184 3.287 . 0 0 "[ . 1 . 2 . 3]" 1 650 1 41 LEU H 1 41 LEU MD2 4.000 . 5.500 3.927 3.598 4.128 . 0 0 "[ . 1 . 2 . 3]" 1 651 1 41 LEU MD2 1 74 PHE QD 3.000 . 3.800 2.430 1.987 2.868 . 0 0 "[ . 1 . 2 . 3]" 1 652 1 41 LEU MD2 1 42 THR H 4.000 . 5.500 4.514 4.309 4.683 . 0 0 "[ . 1 . 2 . 3]" 1 653 1 41 LEU H 1 42 THR H 3.000 . 3.300 3.098 2.921 3.314 0.014 23 0 "[ . 1 . 2 . 3]" 1 654 1 37 LEU MD1 1 41 LEU H 4.000 . 5.500 4.532 4.402 4.603 . 0 0 "[ . 1 . 2 . 3]" 1 655 1 37 LEU HG 1 41 LEU H 3.000 . 3.300 3.330 3.245 3.405 0.105 21 0 "[ . 1 . 2 . 3]" 1 656 1 41 LEU H 1 42 THR MG 4.000 . 5.500 4.291 4.162 4.581 . 0 0 "[ . 1 . 2 . 3]" 1 657 1 42 THR HA 1 42 THR MG 3.000 . 3.800 2.783 2.476 3.186 . 0 0 "[ . 1 . 2 . 3]" 1 658 1 42 THR HA 1 42 THR HB 3.000 . 3.300 2.388 2.314 2.508 . 0 0 "[ . 1 . 2 . 3]" 1 659 1 42 THR MG 1 77 ALA MB 4.000 . 6.000 3.325 2.535 4.168 . 0 0 "[ . 1 . 2 . 3]" 1 660 1 38 TRP HE1 1 42 THR MG 4.000 . 5.500 3.413 2.629 3.861 . 0 0 "[ . 1 . 2 . 3]" 1 661 1 38 TRP HH2 1 42 THR MG 4.000 . 5.500 3.351 2.863 3.973 . 0 0 "[ . 1 . 2 . 3]" 1 662 1 42 THR H 1 42 THR MG 3.000 . 3.800 1.969 1.817 2.249 . 0 0 "[ . 1 . 2 . 3]" 1 663 1 42 THR HB 1 42 THR MG 2.400 . 3.200 2.125 2.104 2.146 . 0 0 "[ . 1 . 2 . 3]" 1 664 1 38 TRP HE3 1 42 THR MG 3.000 . 3.800 2.839 2.493 3.201 . 0 0 "[ . 1 . 2 . 3]" 1 665 1 38 TRP HA 1 42 THR H 3.000 . 3.300 3.397 3.335 3.481 0.181 29 0 "[ . 1 . 2 . 3]" 1 666 1 41 LEU QB 1 42 THR H 4.000 . 5.000 2.350 2.201 2.579 . 0 0 "[ . 1 . 2 . 3]" 1 667 1 42 THR H 1 44 TRP H 4.000 . 5.000 4.895 4.694 5.001 0.001 7 0 "[ . 1 . 2 . 3]" 1 668 1 43 GLY QA 1 44 TRP H 4.000 . 5.000 2.782 2.613 2.848 . 0 0 "[ . 1 . 2 . 3]" 1 669 1 43 GLY QA 1 44 TRP QB 4.000 . 5.000 3.860 3.800 3.934 . 0 0 "[ . 1 . 2 . 3]" 1 670 1 44 TRP H 1 44 TRP QB 3.000 . 3.300 2.927 2.868 2.958 . 0 0 "[ . 1 . 2 . 3]" 1 671 1 26 LEU MD2 1 44 TRP QB 4.000 . 5.500 3.282 3.164 3.435 . 0 0 "[ . 1 . 2 . 3]" 1 672 1 44 TRP QB 1 45 VAL MG2 4.000 . 5.500 3.434 3.323 3.681 . 0 0 "[ . 1 . 2 . 3]" 1 673 1 44 TRP QB 1 45 VAL H 3.000 . 3.300 2.398 1.962 2.634 . 0 0 "[ . 1 . 2 . 3]" 1 674 1 44 TRP HD1 1 45 VAL MG2 3.000 . 3.800 2.711 2.180 3.146 . 0 0 "[ . 1 . 2 . 3]" 1 675 1 44 TRP HD1 1 45 VAL MG1 4.000 . 5.500 4.547 4.361 4.612 . 0 0 "[ . 1 . 2 . 3]" 1 676 1 44 TRP HD1 1 45 VAL HA 3.000 . 3.300 2.488 2.130 2.661 . 0 0 "[ . 1 . 2 . 3]" 1 677 1 24 LEU MD2 1 44 TRP HD1 4.000 . 5.500 4.503 4.143 4.615 . 0 0 "[ . 1 . 2 . 3]" 1 678 1 40 ALA HA 1 44 TRP HD1 4.000 . 5.000 4.663 4.502 4.840 . 0 0 "[ . 1 . 2 . 3]" 1 679 1 26 LEU MD2 1 44 TRP HE3 4.000 . 5.500 4.604 4.585 4.640 . 0 0 "[ . 1 . 2 . 3]" 1 680 1 40 ALA MB 1 44 TRP HE3 4.000 . 5.500 4.235 4.013 4.598 . 0 0 "[ . 1 . 2 . 3]" 1 681 1 27 PRO QG 1 44 TRP HE3 4.000 . 5.000 3.827 3.389 4.473 . 0 0 "[ . 1 . 2 . 3]" 1 682 1 44 TRP H 1 45 VAL MG2 4.000 . 5.500 4.443 4.131 4.611 . 0 0 "[ . 1 . 2 . 3]" 1 683 1 43 GLY H 1 44 TRP H 3.000 . 3.300 2.011 1.823 3.062 . 0 0 "[ . 1 . 2 . 3]" 1 684 1 44 TRP H 1 45 VAL H 2.400 . 2.700 2.071 1.845 2.607 . 0 0 "[ . 1 . 2 . 3]" 1 685 1 27 PRO QB 1 44 TRP HZ3 4.000 . 5.000 3.440 2.771 4.259 . 0 0 "[ . 1 . 2 . 3]" 1 686 1 45 VAL HA 1 46 GLU H 3.000 . 3.300 2.726 2.406 3.486 0.186 17 0 "[ . 1 . 2 . 3]" 1 687 1 45 VAL HA 1 45 VAL MG1 3.000 . 3.800 2.641 2.532 2.712 . 0 0 "[ . 1 . 2 . 3]" 1 688 1 45 VAL HB 1 46 GLU H 4.000 . 5.000 3.653 2.847 3.985 . 0 0 "[ . 1 . 2 . 3]" 1 689 1 45 VAL HB 1 45 VAL MG1 2.400 . 3.200 2.131 2.101 2.140 . 0 0 "[ . 1 . 2 . 3]" 1 690 1 45 VAL H 1 45 VAL HB 3.000 . 3.300 2.160 2.099 2.286 . 0 0 "[ . 1 . 2 . 3]" 1 691 1 45 VAL MG1 1 46 GLU QB 4.000 . 5.500 3.630 3.543 3.755 . 0 0 "[ . 1 . 2 . 3]" 1 692 1 45 VAL MG1 1 45 VAL MG2 2.400 . 3.700 2.050 1.923 2.081 . 0 0 "[ . 1 . 2 . 3]" 1 693 1 41 LEU HA 1 45 VAL MG1 3.000 . 3.800 3.177 3.085 3.211 . 0 0 "[ . 1 . 2 . 3]" 1 694 1 45 VAL MG1 1 46 GLU H 3.000 . 3.800 2.167 1.758 3.191 0.042 14 0 "[ . 1 . 2 . 3]" 1 695 1 45 VAL MG1 1 46 GLU HA 4.000 . 5.500 3.577 3.213 4.256 . 0 0 "[ . 1 . 2 . 3]" 1 696 1 45 VAL H 1 45 VAL MG1 4.000 . 5.500 3.599 3.521 3.693 . 0 0 "[ . 1 . 2 . 3]" 1 697 1 44 TRP H 1 45 VAL MG1 4.000 . 5.500 4.731 4.678 4.782 . 0 0 "[ . 1 . 2 . 3]" 1 698 1 45 VAL H 1 45 VAL MG2 3.000 . 3.800 2.703 2.482 2.880 . 0 0 "[ . 1 . 2 . 3]" 1 699 1 45 VAL MG2 1 74 PHE HZ 4.000 . 5.500 3.887 3.284 4.362 . 0 0 "[ . 1 . 2 . 3]" 1 700 1 41 LEU HA 1 45 VAL MG2 3.000 . 3.800 2.283 1.787 2.918 0.013 29 0 "[ . 1 . 2 . 3]" 1 701 1 46 GLU H 1 46 GLU HA 3.000 . 3.300 2.821 2.350 2.992 . 0 0 "[ . 1 . 2 . 3]" 1 702 1 46 GLU HA 1 46 GLU QG 3.000 . 3.300 2.210 1.920 2.649 . 0 0 "[ . 1 . 2 . 3]" 1 703 1 46 GLU HA 1 47 TYR H 3.000 . 3.300 2.199 2.163 2.342 . 0 0 "[ . 1 . 2 . 3]" 1 704 1 46 GLU HA 1 47 TYR HB2 4.000 . 5.000 4.632 4.470 4.722 . 0 0 "[ . 1 . 2 . 3]" 1 705 1 46 GLU QB 1 47 TYR H 4.000 . 5.000 3.615 3.072 3.956 . 0 0 "[ . 1 . 2 . 3]" 1 706 1 46 GLU H 1 46 GLU QB 3.000 . 3.300 2.608 2.291 3.039 . 0 0 "[ . 1 . 2 . 3]" 1 707 1 47 TYR HB2 1 49 LEU H 4.000 . 5.000 4.660 4.361 4.901 . 0 0 "[ . 1 . 2 . 3]" 1 708 1 47 TYR HB2 1 48 PRO HA 4.000 . 5.000 3.299 3.231 3.365 . 0 0 "[ . 1 . 2 . 3]" 1 709 1 47 TYR H 1 47 TYR HB2 3.000 . 3.300 2.549 2.431 2.791 . 0 0 "[ . 1 . 2 . 3]" 1 710 1 47 TYR HB3 1 48 PRO QB 4.000 . 5.000 3.585 3.518 3.622 . 0 0 "[ . 1 . 2 . 3]" 1 711 1 47 TYR HA 1 47 TYR HB3 3.000 . 3.300 2.461 2.426 2.494 . 0 0 "[ . 1 . 2 . 3]" 1 712 1 47 TYR HB3 1 49 LEU H 4.000 . 5.000 3.068 2.815 3.300 . 0 0 "[ . 1 . 2 . 3]" 1 713 1 47 TYR HB3 1 48 PRO HA 4.000 . 5.000 1.779 1.730 1.807 0.070 23 0 "[ . 1 . 2 . 3]" 1 714 1 47 TYR H 1 47 TYR HB3 4.000 . 5.000 3.693 3.603 3.892 . 0 0 "[ . 1 . 2 . 3]" 1 715 1 47 TYR HB3 1 83 ASP QB 4.000 . 5.000 2.066 1.848 2.537 . 0 0 "[ . 1 . 2 . 3]" 1 716 1 47 TYR QD 1 84 ILE MG 4.000 . 5.500 4.148 4.110 4.183 . 0 0 "[ . 1 . 2 . 3]" 1 717 1 47 TYR QD 1 49 LEU HB3 3.000 . 3.300 1.879 1.804 1.979 . 0 0 "[ . 1 . 2 . 3]" 1 718 1 47 TYR HB2 1 47 TYR QD 3.000 . 3.300 2.320 2.302 2.345 . 0 0 "[ . 1 . 2 . 3]" 1 719 1 47 TYR HB3 1 47 TYR QD 3.000 . 3.300 2.727 2.656 2.776 . 0 0 "[ . 1 . 2 . 3]" 1 720 1 47 TYR HA 1 47 TYR QD 3.000 . 3.300 2.067 1.902 2.249 . 0 0 "[ . 1 . 2 . 3]" 1 721 1 47 TYR QD 1 48 PRO HA 4.000 . 5.000 3.311 3.160 3.515 . 0 0 "[ . 1 . 2 . 3]" 1 722 1 47 TYR QD 1 49 LEU HB2 3.000 . 3.300 2.255 2.011 2.401 . 0 0 "[ . 1 . 2 . 3]" 1 723 1 47 TYR QD 1 49 LEU HG 4.000 . 5.000 4.394 4.302 4.491 . 0 0 "[ . 1 . 2 . 3]" 1 724 1 45 VAL MG1 1 47 TYR QD 4.000 . 5.500 2.757 2.519 2.985 . 0 0 "[ . 1 . 2 . 3]" 1 725 1 46 GLU HA 1 47 TYR QD 4.000 . 5.000 4.471 4.002 4.564 . 0 0 "[ . 1 . 2 . 3]" 1 726 1 47 TYR QE 1 49 LEU HG 4.000 . 5.000 4.411 4.295 4.484 . 0 0 "[ . 1 . 2 . 3]" 1 727 1 45 VAL MG1 1 47 TYR QE 3.000 . 3.800 1.836 1.745 2.242 0.055 29 0 "[ . 1 . 2 . 3]" 1 728 1 41 LEU MD2 1 47 TYR QE 3.000 . 3.800 2.085 1.929 2.199 . 0 0 "[ . 1 . 2 . 3]" 1 729 1 47 TYR QE 1 84 ILE MD 3.000 . 3.800 2.085 1.914 2.310 . 0 0 "[ . 1 . 2 . 3]" 1 730 1 24 LEU MD2 1 47 TYR QE 4.000 . 5.500 4.114 4.089 4.151 . 0 0 "[ . 1 . 2 . 3]" 1 731 1 45 VAL HB 1 47 TYR QE 4.000 . 5.000 3.287 3.004 3.699 . 0 0 "[ . 1 . 2 . 3]" 1 732 1 47 TYR QE 1 84 ILE MG 4.000 . 5.500 3.652 3.429 3.796 . 0 0 "[ . 1 . 2 . 3]" 1 733 1 41 LEU QB 1 47 TYR QE 4.000 . 5.000 3.653 3.500 3.882 . 0 0 "[ . 1 . 2 . 3]" 1 734 1 47 TYR QE 1 77 ALA MB 4.000 . 5.500 3.456 3.250 3.732 . 0 0 "[ . 1 . 2 . 3]" 1 735 1 41 LEU HG 1 47 TYR QE 4.000 . 5.000 4.562 4.484 4.625 . 0 0 "[ . 1 . 2 . 3]" 1 736 1 47 TYR QE 1 84 ILE HB 4.000 . 5.000 4.478 4.392 4.523 . 0 0 "[ . 1 . 2 . 3]" 1 737 1 46 GLU QG 1 47 TYR H 4.000 . 5.000 3.436 2.351 4.464 . 0 0 "[ . 1 . 2 . 3]" 1 738 1 47 TYR H 1 47 TYR HA 3.000 . 3.300 2.961 2.914 2.994 . 0 0 "[ . 1 . 2 . 3]" 1 739 1 48 PRO HA 1 49 LEU H 3.000 . 3.300 2.212 2.154 2.282 . 0 0 "[ . 1 . 2 . 3]" 1 740 1 47 TYR HA 1 48 PRO HA 4.000 . 5.000 2.536 2.470 2.683 . 0 0 "[ . 1 . 2 . 3]" 1 741 1 48 PRO HA 1 83 ASP QB 4.000 . 5.000 2.172 1.859 2.405 . 0 0 "[ . 1 . 2 . 3]" 1 742 1 48 PRO HA 1 48 PRO QD 4.000 . 5.000 3.442 3.425 3.454 . 0 0 "[ . 1 . 2 . 3]" 1 743 1 48 PRO HA 1 49 LEU HA 4.000 . 5.000 4.450 4.435 4.477 . 0 0 "[ . 1 . 2 . 3]" 1 744 1 48 PRO QB 1 49 LEU H 4.000 . 5.000 3.141 2.920 3.330 . 0 0 "[ . 1 . 2 . 3]" 1 745 1 48 PRO QD 1 83 ASP QB 4.000 . 5.000 3.874 3.539 3.985 . 0 0 "[ . 1 . 2 . 3]" 1 746 1 49 LEU HA 1 50 VAL HA 4.000 . 5.000 4.484 4.438 4.501 . 0 0 "[ . 1 . 2 . 3]" 1 747 1 49 LEU HA 1 49 LEU HG 4.000 . 5.000 3.207 2.971 3.359 . 0 0 "[ . 1 . 2 . 3]" 1 748 1 49 LEU HA 1 49 LEU HB3 3.000 . 3.300 3.004 2.982 3.019 . 0 0 "[ . 1 . 2 . 3]" 1 749 1 49 LEU HA 1 49 LEU MD1 3.000 . 3.800 2.374 2.141 2.729 . 0 0 "[ . 1 . 2 . 3]" 1 750 1 49 LEU HA 1 50 VAL H 3.000 . 3.300 2.378 2.209 2.433 . 0 0 "[ . 1 . 2 . 3]" 1 751 1 45 VAL MG1 1 49 LEU HA 4.000 . 5.500 4.303 4.009 4.558 . 0 0 "[ . 1 . 2 . 3]" 1 752 1 1 LYS QB 1 49 LEU HA 4.000 . 5.000 3.747 2.797 4.394 . 0 0 "[ . 1 . 2 . 3]" 1 753 1 47 TYR HA 1 49 LEU HA 4.000 . 5.000 3.553 3.349 3.800 . 0 0 "[ . 1 . 2 . 3]" 1 754 1 49 LEU HB2 1 50 VAL H 4.000 . 5.000 3.728 3.623 4.089 . 0 0 "[ . 1 . 2 . 3]" 1 755 1 47 TYR QE 1 49 LEU HB2 4.000 . 5.000 3.065 2.768 3.191 . 0 0 "[ . 1 . 2 . 3]" 1 756 1 49 LEU HB2 1 49 LEU HG 3.000 . 3.300 3.024 2.975 3.033 . 0 0 "[ . 1 . 2 . 3]" 1 757 1 49 LEU H 1 49 LEU HB2 3.000 . 3.300 3.243 3.088 3.347 0.047 11 0 "[ . 1 . 2 . 3]" 1 758 1 49 LEU HB2 1 84 ILE HA 4.000 . 5.000 4.287 4.013 4.523 . 0 0 "[ . 1 . 2 . 3]" 1 759 1 47 TYR HA 1 49 LEU HB2 4.000 . 5.000 3.115 2.960 3.277 . 0 0 "[ . 1 . 2 . 3]" 1 760 1 47 TYR QE 1 49 LEU HB3 4.000 . 5.000 2.549 2.363 2.732 . 0 0 "[ . 1 . 2 . 3]" 1 761 1 49 LEU HB3 1 84 ILE HA 4.000 . 5.000 2.671 2.388 2.975 . 0 0 "[ . 1 . 2 . 3]" 1 762 1 49 LEU H 1 49 LEU HB3 3.000 . 3.300 2.350 2.244 2.504 . 0 0 "[ . 1 . 2 . 3]" 1 763 1 49 LEU HB3 1 49 LEU HG 3.000 . 3.300 2.587 2.511 2.717 . 0 0 "[ . 1 . 2 . 3]" 1 764 1 47 TYR HA 1 49 LEU HB3 4.000 . 5.000 3.475 3.362 3.768 . 0 0 "[ . 1 . 2 . 3]" 1 765 1 49 LEU MD1 1 74 PHE HZ 4.000 . 5.500 4.446 4.187 4.589 . 0 0 "[ . 1 . 2 . 3]" 1 766 1 49 LEU MD1 1 50 VAL H 3.000 . 3.800 1.873 1.765 2.913 0.035 6 0 "[ . 1 . 2 . 3]" 1 767 1 23 GLU QB 1 49 LEU MD1 4.000 . 5.500 3.734 3.428 4.063 . 0 0 "[ . 1 . 2 . 3]" 1 768 1 49 LEU H 1 49 LEU HG 4.000 . 5.000 4.077 3.921 4.184 . 0 0 "[ . 1 . 2 . 3]" 1 769 1 49 LEU H 1 49 LEU MD1 4.000 . 5.500 4.404 4.291 4.589 . 0 0 "[ . 1 . 2 . 3]" 1 770 1 49 LEU H 1 84 ILE MD 4.000 . 5.500 4.601 4.540 4.637 . 0 0 "[ . 1 . 2 . 3]" 1 771 1 47 TYR HA 1 49 LEU H 3.000 . 3.300 2.781 2.418 3.227 . 0 0 "[ . 1 . 2 . 3]" 1 772 1 47 TYR QD 1 49 LEU H 3.000 . 3.300 2.417 2.082 2.585 . 0 0 "[ . 1 . 2 . 3]" 1 773 1 47 TYR QE 1 49 LEU H 4.000 . 5.000 4.368 4.138 4.477 . 0 0 "[ . 1 . 2 . 3]" 1 774 1 50 VAL HA 1 50 VAL HB 3.000 . 3.300 2.969 2.923 3.009 . 0 0 "[ . 1 . 2 . 3]" 1 775 1 2 LYS QG 1 50 VAL HB 4.000 . 5.000 3.541 2.489 4.466 . 0 0 "[ . 1 . 2 . 3]" 1 776 1 50 VAL H 1 50 VAL HB 3.000 . 3.300 2.453 2.221 2.535 . 0 0 "[ . 1 . 2 . 3]" 1 777 1 50 VAL MG1 1 52 GLU HB3 3.000 . 3.800 3.131 3.026 3.215 . 0 0 "[ . 1 . 2 . 3]" 1 778 1 2 LYS HB3 1 50 VAL MG1 4.000 . 5.500 3.932 3.333 4.518 . 0 0 "[ . 1 . 2 . 3]" 1 779 1 2 LYS QB 1 50 VAL MG1 4.000 . 5.500 2.709 1.869 3.144 . 0 0 "[ . 1 . 2 . 3]" 1 780 1 3 ALA H 1 50 VAL MG1 4.000 . 5.500 3.222 2.186 3.456 . 0 0 "[ . 1 . 2 . 3]" 1 781 1 50 VAL MG1 1 52 GLU H 3.000 . 3.800 2.294 2.105 2.378 . 0 0 "[ . 1 . 2 . 3]" 1 782 1 2 LYS QE 1 50 VAL MG1 3.000 . 3.800 2.215 1.656 2.832 0.144 28 0 "[ . 1 . 2 . 3]" 1 783 1 50 VAL HA 1 50 VAL MG1 3.000 . 3.800 2.728 2.586 2.843 . 0 0 "[ . 1 . 2 . 3]" 1 784 1 50 VAL MG1 1 85 THR HB 4.000 . 5.500 3.544 3.028 4.611 . 0 0 "[ . 1 . 2 . 3]" 1 785 1 50 VAL MG2 1 85 THR HB 3.000 . 3.800 2.584 1.918 3.179 . 0 0 "[ . 1 . 2 . 3]" 1 786 1 50 VAL HA 1 50 VAL MG2 3.000 . 3.800 2.132 2.052 2.195 . 0 0 "[ . 1 . 2 . 3]" 1 787 1 50 VAL MG2 1 52 GLU H 4.000 . 5.500 4.634 4.599 4.705 . 0 0 "[ . 1 . 2 . 3]" 1 788 1 50 VAL H 1 50 VAL MG2 4.000 . 5.500 3.413 3.252 3.547 . 0 0 "[ . 1 . 2 . 3]" 1 789 1 49 LEU HA 1 50 VAL MG2 4.000 . 5.500 4.259 4.009 4.593 . 0 0 "[ . 1 . 2 . 3]" 1 790 1 49 LEU HB3 1 50 VAL H 4.000 . 5.000 4.002 3.945 4.349 . 0 0 "[ . 1 . 2 . 3]" 1 791 1 49 LEU HG 1 50 VAL H 4.000 . 5.000 2.343 2.180 2.975 . 0 0 "[ . 1 . 2 . 3]" 1 792 1 51 LEU HA 1 51 LEU HG 3.000 . 3.300 2.766 2.722 2.850 . 0 0 "[ . 1 . 2 . 3]" 1 793 1 51 LEU HA 1 51 LEU MD1 3.000 . 3.800 2.322 2.236 2.449 . 0 0 "[ . 1 . 2 . 3]" 1 794 1 51 LEU HA 1 51 LEU HB3 3.000 . 3.300 3.030 3.024 3.036 . 0 0 "[ . 1 . 2 . 3]" 1 795 1 51 LEU HA 1 51 LEU HB2 3.000 . 3.300 2.508 2.453 2.545 . 0 0 "[ . 1 . 2 . 3]" 1 796 1 51 LEU HA 1 52 GLU H 3.000 . 3.300 2.548 2.487 2.617 . 0 0 "[ . 1 . 2 . 3]" 1 797 1 51 LEU HA 1 51 LEU MD2 4.000 . 5.500 3.848 3.826 3.876 . 0 0 "[ . 1 . 2 . 3]" 1 798 1 51 LEU H 1 51 LEU HB2 3.000 . 3.300 2.710 2.621 3.223 . 0 0 "[ . 1 . 2 . 3]" 1 799 1 51 LEU HB2 1 86 ILE HA 4.000 . 5.000 3.358 3.231 3.477 . 0 0 "[ . 1 . 2 . 3]" 1 800 1 51 LEU HB3 1 51 LEU MD1 3.000 . 3.800 3.153 3.144 3.167 . 0 0 "[ . 1 . 2 . 3]" 1 801 1 51 LEU HB3 1 86 ILE HA 3.000 . 3.300 1.798 1.755 1.860 0.045 15 0 "[ . 1 . 2 . 3]" 1 802 1 51 LEU HB3 1 51 LEU MD2 3.000 . 3.800 2.208 1.986 2.304 . 0 0 "[ . 1 . 2 . 3]" 1 803 1 51 LEU HB3 1 51 LEU HG 3.000 . 3.300 2.600 2.571 2.644 . 0 0 "[ . 1 . 2 . 3]" 1 804 1 51 LEU H 1 51 LEU HB3 3.000 . 3.300 2.571 2.439 2.777 . 0 0 "[ . 1 . 2 . 3]" 1 805 1 20 LEU MD1 1 51 LEU MD1 4.000 . 6.000 3.956 3.524 4.176 . 0 0 "[ . 1 . 2 . 3]" 1 806 1 51 LEU MD1 1 53 TRP QB 4.000 . 5.500 4.102 3.790 4.167 . 0 0 "[ . 1 . 2 . 3]" 1 807 1 51 LEU MD1 1 51 LEU HG 2.400 . 3.200 2.111 2.097 2.127 . 0 0 "[ . 1 . 2 . 3]" 1 808 1 51 LEU MD1 1 74 PHE QE 4.000 . 5.500 2.295 2.133 2.397 . 0 0 "[ . 1 . 2 . 3]" 1 809 1 51 LEU MD2 1 53 TRP HZ3 4.000 . 5.500 2.671 2.284 3.149 . 0 0 "[ . 1 . 2 . 3]" 1 810 1 51 LEU MD2 1 74 PHE HB3 4.000 . 5.500 1.967 1.823 2.339 . 0 0 "[ . 1 . 2 . 3]" 1 811 1 51 LEU MD2 1 71 LEU MD1 3.000 . 4.300 1.830 1.651 2.271 0.149 5 0 "[ . 1 . 2 . 3]" 1 812 1 51 LEU MD2 1 70 VAL MG1 4.000 . 6.000 3.473 3.166 3.814 . 0 0 "[ . 1 . 2 . 3]" 1 813 1 51 LEU MD2 1 53 TRP QB 4.000 . 5.500 2.912 2.740 3.155 . 0 0 "[ . 1 . 2 . 3]" 1 814 1 51 LEU MD2 1 74 PHE H 4.000 . 5.500 4.268 4.095 4.594 . 0 0 "[ . 1 . 2 . 3]" 1 815 1 51 LEU H 1 51 LEU MD2 4.000 . 5.500 4.320 4.160 4.540 . 0 0 "[ . 1 . 2 . 3]" 1 816 1 51 LEU MD2 1 74 PHE HB2 3.000 . 3.800 2.487 2.352 2.753 . 0 0 "[ . 1 . 2 . 3]" 1 817 1 51 LEU MD2 1 86 ILE HA 4.000 . 5.500 2.580 1.850 3.252 . 0 0 "[ . 1 . 2 . 3]" 1 818 1 51 LEU MD2 1 74 PHE HA 4.000 . 5.500 4.104 3.937 4.370 . 0 0 "[ . 1 . 2 . 3]" 1 819 1 51 LEU H 1 51 LEU MD1 4.000 . 5.500 4.166 4.081 4.437 . 0 0 "[ . 1 . 2 . 3]" 1 820 1 51 LEU H 1 86 ILE HA 4.000 . 5.000 3.428 2.733 3.888 . 0 0 "[ . 1 . 2 . 3]" 1 821 1 50 VAL HA 1 51 LEU H 4.000 . 5.000 2.265 2.235 2.300 . 0 0 "[ . 1 . 2 . 3]" 1 822 1 4 VAL HA 1 52 GLU HA 4.000 . 5.000 4.575 4.397 4.661 . 0 0 "[ . 1 . 2 . 3]" 1 823 1 52 GLU HA 1 53 TRP H 4.000 . 5.000 2.374 2.345 2.393 . 0 0 "[ . 1 . 2 . 3]" 1 824 1 52 GLU HA 1 87 ILE H 4.000 . 5.000 3.336 3.184 3.548 . 0 0 "[ . 1 . 2 . 3]" 1 825 1 52 GLU HA 1 52 GLU HB3 3.000 . 3.300 3.029 3.021 3.034 . 0 0 "[ . 1 . 2 . 3]" 1 826 1 52 GLU HA 1 87 ILE HB 3.000 . 3.300 1.857 1.814 2.027 . 0 0 "[ . 1 . 2 . 3]" 1 827 1 52 GLU HA 1 87 ILE MD 4.000 . 5.500 2.650 1.785 4.546 0.015 8 0 "[ . 1 . 2 . 3]" 1 828 1 52 GLU HA 1 87 ILE MG 4.000 . 5.500 3.063 2.892 3.329 . 0 0 "[ . 1 . 2 . 3]" 1 829 1 50 VAL MG1 1 52 GLU HA 4.000 . 5.500 3.505 3.303 3.784 . 0 0 "[ . 1 . 2 . 3]" 1 830 1 52 GLU HA 1 52 GLU HB2 3.000 . 3.300 2.407 2.367 2.436 . 0 0 "[ . 1 . 2 . 3]" 1 831 1 52 GLU H 1 52 GLU HB2 3.000 . 3.300 2.724 2.620 2.803 . 0 0 "[ . 1 . 2 . 3]" 1 832 1 4 VAL MG2 1 52 GLU HB2 4.000 . 5.500 3.263 2.893 3.771 . 0 0 "[ . 1 . 2 . 3]" 1 833 1 52 GLU H 1 52 GLU HB3 3.000 . 3.300 2.396 2.286 2.482 . 0 0 "[ . 1 . 2 . 3]" 1 834 1 4 VAL MG2 1 52 GLU HB3 3.000 . 3.800 2.039 1.759 2.631 0.041 6 0 "[ . 1 . 2 . 3]" 1 835 1 51 LEU MD1 1 52 GLU H 4.000 . 5.500 4.276 4.125 4.467 . 0 0 "[ . 1 . 2 . 3]" 1 836 1 3 ALA MB 1 52 GLU H 4.000 . 5.500 3.896 3.572 4.117 . 0 0 "[ . 1 . 2 . 3]" 1 837 1 4 VAL HA 1 52 GLU H 4.000 . 5.000 3.262 3.133 3.383 . 0 0 "[ . 1 . 2 . 3]" 1 838 1 53 TRP HA 1 54 ARG HA 4.000 . 5.000 4.521 4.436 4.604 . 0 0 "[ . 1 . 2 . 3]" 1 839 1 51 LEU HG 1 53 TRP HA 4.000 . 5.000 3.898 3.834 3.990 . 0 0 "[ . 1 . 2 . 3]" 1 840 1 53 TRP HA 1 54 ARG H 3.000 . 3.300 2.254 2.183 2.337 . 0 0 "[ . 1 . 2 . 3]" 1 841 1 5 ILE MG 1 53 TRP HA 4.000 . 5.500 3.582 3.490 3.873 . 0 0 "[ . 1 . 2 . 3]" 1 842 1 51 LEU MD2 1 53 TRP HA 4.000 . 5.500 4.683 4.636 4.739 . 0 0 "[ . 1 . 2 . 3]" 1 843 1 51 LEU MD1 1 53 TRP HA 4.000 . 5.500 4.557 4.366 4.655 . 0 0 "[ . 1 . 2 . 3]" 1 844 1 5 ILE QG 1 53 TRP HA 4.000 . 5.000 2.400 2.066 3.683 . 0 0 "[ . 1 . 2 . 3]" 1 845 1 5 ILE HA 1 53 TRP HA 4.000 . 5.000 4.319 4.173 4.571 . 0 0 "[ . 1 . 2 . 3]" 1 846 1 5 ILE MG 1 53 TRP HD1 3.000 . 3.800 3.126 2.541 3.212 . 0 0 "[ . 1 . 2 . 3]" 1 847 1 53 TRP HA 1 53 TRP HD1 3.000 . 3.300 3.130 2.699 3.281 . 0 0 "[ . 1 . 2 . 3]" 1 848 1 53 TRP HD1 1 88 LEU MD2 4.000 . 5.500 4.022 3.368 4.475 . 0 0 "[ . 1 . 2 . 3]" 1 849 1 5 ILE QG 1 53 TRP HD1 4.000 . 5.000 4.055 3.777 4.718 . 0 0 "[ . 1 . 2 . 3]" 1 850 1 53 TRP HD1 1 56 PHE QB 4.000 . 5.000 2.862 2.235 3.830 . 0 0 "[ . 1 . 2 . 3]" 1 851 1 53 TRP HD1 1 56 PHE HA 4.000 . 5.000 2.758 2.416 3.183 . 0 0 "[ . 1 . 2 . 3]" 1 852 1 53 TRP HD1 1 56 PHE QD 4.000 . 5.000 3.272 2.930 4.266 . 0 0 "[ . 1 . 2 . 3]" 1 853 1 51 LEU HG 1 53 TRP HE3 3.000 . 3.300 2.855 2.706 3.177 . 0 0 "[ . 1 . 2 . 3]" 1 854 1 53 TRP HE3 1 71 LEU MD1 3.000 . 3.800 2.398 2.185 3.162 . 0 0 "[ . 1 . 2 . 3]" 1 855 1 51 LEU MD1 1 53 TRP HE3 3.000 . 3.800 3.076 2.981 3.225 . 0 0 "[ . 1 . 2 . 3]" 1 856 1 53 TRP HE3 1 71 LEU HG 4.000 . 5.000 4.957 4.419 5.108 0.108 15 0 "[ . 1 . 2 . 3]" 1 857 1 5 ILE MD 1 53 TRP HE3 3.000 . 3.800 3.079 2.251 3.233 . 0 0 "[ . 1 . 2 . 3]" 1 858 1 53 TRP HE3 1 88 LEU MD2 4.000 . 5.500 3.893 2.537 4.582 . 0 0 "[ . 1 . 2 . 3]" 1 859 1 53 TRP HA 1 53 TRP HE3 4.000 . 5.000 4.123 3.963 4.442 . 0 0 "[ . 1 . 2 . 3]" 1 860 1 51 LEU MD2 1 53 TRP HE3 3.000 . 3.800 1.790 1.716 1.875 0.084 15 0 "[ . 1 . 2 . 3]" 1 861 1 5 ILE MG 1 53 TRP HE3 4.000 . 5.500 4.260 4.065 4.738 . 0 0 "[ . 1 . 2 . 3]" 1 862 1 53 TRP QB 1 53 TRP HE3 3.000 . 3.300 2.433 2.386 2.490 . 0 0 "[ . 1 . 2 . 3]" 1 863 1 53 TRP HE3 1 56 PHE QE 4.000 . 5.000 4.277 3.220 4.480 . 0 0 "[ . 1 . 2 . 3]" 1 864 1 53 TRP HH2 1 70 VAL HB 3.000 . 3.300 2.096 1.856 2.455 . 0 0 "[ . 1 . 2 . 3]" 1 865 1 53 TRP HH2 1 53 TRP HZ3 2.400 . 2.700 2.486 2.480 2.491 . 0 0 "[ . 1 . 2 . 3]" 1 866 1 16 LEU MD1 1 53 TRP HH2 3.000 . 3.800 3.200 3.173 3.231 . 0 0 "[ . 1 . 2 . 3]" 1 867 1 53 TRP HH2 1 67 ALA HA 3.000 . 3.300 2.233 1.894 2.609 . 0 0 "[ . 1 . 2 . 3]" 1 868 1 20 LEU MD1 1 53 TRP HH2 4.000 . 5.500 3.472 3.134 3.735 . 0 0 "[ . 1 . 2 . 3]" 1 869 1 53 TRP HH2 1 56 PHE QE 4.000 . 5.000 3.816 3.204 4.351 . 0 0 "[ . 1 . 2 . 3]" 1 870 1 53 TRP HH2 1 70 VAL MG1 3.000 . 3.800 3.021 2.779 3.185 . 0 0 "[ . 1 . 2 . 3]" 1 871 1 53 TRP HH2 1 67 ALA MB 3.000 . 3.800 3.026 2.680 3.188 . 0 0 "[ . 1 . 2 . 3]" 1 872 1 53 TRP HH2 1 70 VAL MG2 4.000 . 5.500 3.270 2.641 3.694 . 0 0 "[ . 1 . 2 . 3]" 1 873 1 16 LEU HG 1 53 TRP HH2 4.000 . 5.000 3.584 2.983 4.037 . 0 0 "[ . 1 . 2 . 3]" 1 874 1 16 LEU MD2 1 53 TRP HH2 3.000 . 3.800 2.580 2.428 2.908 . 0 0 "[ . 1 . 2 . 3]" 1 875 1 16 LEU MD1 1 53 TRP HZ2 3.000 . 3.800 3.146 2.821 3.194 . 0 0 "[ . 1 . 2 . 3]" 1 876 1 5 ILE MD 1 53 TRP HZ2 4.000 . 5.500 3.553 3.001 4.173 . 0 0 "[ . 1 . 2 . 3]" 1 877 1 5 ILE QG 1 53 TRP HZ2 4.000 . 5.000 4.414 3.383 4.552 . 0 0 "[ . 1 . 2 . 3]" 1 878 1 16 LEU MD2 1 53 TRP HZ2 3.000 . 3.800 1.765 1.669 1.845 0.131 10 0 "[ . 1 . 2 . 3]" 1 879 1 53 TRP HZ2 1 67 ALA MB 3.000 . 3.800 1.880 1.741 2.405 0.059 11 0 "[ . 1 . 2 . 3]" 1 880 1 5 ILE MG 1 53 TRP HZ2 4.000 . 5.500 2.624 2.326 2.801 . 0 0 "[ . 1 . 2 . 3]" 1 881 1 5 ILE HB 1 53 TRP HZ2 4.000 . 5.000 4.929 4.435 5.037 0.037 5 0 "[ . 1 . 2 . 3]" 1 882 1 53 TRP HZ2 1 67 ALA HA 4.000 . 5.000 2.834 2.429 3.362 . 0 0 "[ . 1 . 2 . 3]" 1 883 1 53 TRP HZ3 1 70 VAL HB 4.000 . 5.000 2.881 2.403 3.342 . 0 0 "[ . 1 . 2 . 3]" 1 884 1 53 TRP HZ3 1 71 LEU HG 4.000 . 5.000 5.073 5.016 5.129 0.129 5 0 "[ . 1 . 2 . 3]" 1 885 1 53 TRP HZ3 1 71 LEU QB 4.000 . 5.000 3.171 2.754 4.452 . 0 0 "[ . 1 . 2 . 3]" 1 886 1 53 TRP HZ3 1 71 LEU HA 4.000 . 5.000 3.067 2.777 3.974 . 0 0 "[ . 1 . 2 . 3]" 1 887 1 51 LEU MD1 1 53 TRP HZ3 3.000 . 3.800 3.230 3.179 3.347 . 0 0 "[ . 1 . 2 . 3]" 1 888 1 53 TRP HZ3 1 71 LEU MD1 4.000 . 5.500 2.572 2.212 3.591 . 0 0 "[ . 1 . 2 . 3]" 1 889 1 53 TRP HZ3 1 70 VAL MG1 3.000 . 3.800 2.255 1.877 2.525 . 0 0 "[ . 1 . 2 . 3]" 1 890 1 16 LEU MD1 1 53 TRP HZ3 4.000 . 5.500 4.375 4.214 4.631 . 0 0 "[ . 1 . 2 . 3]" 1 891 1 53 TRP HZ3 1 70 VAL MG2 4.000 . 5.500 4.292 3.738 4.545 . 0 0 "[ . 1 . 2 . 3]" 1 892 1 16 LEU MD2 1 53 TRP HZ3 4.000 . 5.500 4.604 4.574 4.651 . 0 0 "[ . 1 . 2 . 3]" 1 893 1 54 ARG QB 1 54 ARG QD 3.000 . 3.300 2.277 1.878 2.585 . 0 0 "[ . 1 . 2 . 3]" 1 894 1 5 ILE QG 1 54 ARG H 4.000 . 5.000 3.853 3.485 4.606 . 0 0 "[ . 1 . 2 . 3]" 1 895 1 53 TRP HD1 1 54 ARG H 4.000 . 5.000 3.120 1.976 3.676 . 0 0 "[ . 1 . 2 . 3]" 1 896 1 5 ILE HB 1 56 PHE HA 4.000 . 5.000 4.986 4.756 5.104 0.104 17 0 "[ . 1 . 2 . 3]" 1 897 1 56 PHE QB 1 88 LEU MD2 4.000 . 5.500 2.313 1.842 3.053 . 0 0 "[ . 1 . 2 . 3]" 1 898 1 56 PHE QD 1 88 LEU MD2 4.000 . 5.500 2.465 2.076 3.008 . 0 0 "[ . 1 . 2 . 3]" 1 899 1 56 PHE QD 1 71 LEU MD2 4.000 . 5.500 2.797 2.297 3.204 . 0 0 "[ . 1 . 2 . 3]" 1 900 1 56 PHE HA 1 56 PHE QD 3.000 . 3.300 2.649 1.838 2.970 . 0 0 "[ . 1 . 2 . 3]" 1 901 1 56 PHE QE 1 71 LEU MD2 3.000 . 3.800 2.032 1.680 2.301 0.120 22 0 "[ . 1 . 2 . 3]" 1 902 1 56 PHE QE 1 60 LYS QG 4.000 . 5.000 3.130 1.948 3.983 . 0 0 "[ . 1 . 2 . 3]" 1 903 1 56 PHE QE 1 60 LYS QD 4.000 . 5.000 2.815 1.823 3.970 . 0 0 "[ . 1 . 2 . 3]" 1 904 1 56 PHE QE 1 68 GLU HA 4.000 . 5.000 3.048 2.483 3.828 . 0 0 "[ . 1 . 2 . 3]" 1 905 1 56 PHE QE 1 88 LEU MD2 4.000 . 5.500 3.218 2.788 4.075 . 0 0 "[ . 1 . 2 . 3]" 1 906 1 56 PHE QE 1 71 LEU HG 4.000 . 5.000 4.274 3.187 4.522 . 0 0 "[ . 1 . 2 . 3]" 1 907 1 56 PHE QE 1 71 LEU QB 4.000 . 5.000 2.436 1.975 3.523 . 0 0 "[ . 1 . 2 . 3]" 1 908 1 56 PHE QE 1 67 ALA MB 3.000 . 3.800 2.627 1.832 2.849 . 0 0 "[ . 1 . 2 . 3]" 1 909 1 56 PHE QE 1 71 LEU MD1 4.000 . 5.500 3.838 3.095 4.152 . 0 0 "[ . 1 . 2 . 3]" 1 910 1 56 PHE HZ 1 68 GLU QB 4.000 . 5.000 3.276 2.305 4.075 . 0 0 "[ . 1 . 2 . 3]" 1 911 1 56 PHE HZ 1 71 LEU MD2 3.000 . 3.800 2.784 2.214 3.189 . 0 0 "[ . 1 . 2 . 3]" 1 912 1 56 PHE HZ 1 68 GLU HA 3.000 . 3.300 1.929 1.835 2.567 . 0 0 "[ . 1 . 2 . 3]" 1 913 1 56 PHE HZ 1 68 GLU QG 4.000 . 5.000 2.740 1.750 4.296 0.050 6 0 "[ . 1 . 2 . 3]" 1 914 1 57 GLU HA 1 58 GLN H 4.000 . 5.000 3.562 3.483 3.592 . 0 0 "[ . 1 . 2 . 3]" 1 915 1 57 GLU HA 1 60 LYS QB 4.000 . 5.000 2.992 1.835 4.109 . 0 0 "[ . 1 . 2 . 3]" 1 916 1 57 GLU HA 1 57 GLU QG 3.000 . 3.300 2.221 1.914 3.088 . 0 0 "[ . 1 . 2 . 3]" 1 917 1 57 GLU HA 1 60 LYS QD 4.000 . 5.000 3.570 2.253 4.468 . 0 0 "[ . 1 . 2 . 3]" 1 918 1 57 GLU H 1 57 GLU QB 3.000 . 3.300 2.228 2.068 2.972 . 0 0 "[ . 1 . 2 . 3]" 1 919 1 56 PHE QB 1 57 GLU H 4.000 . 5.000 2.531 1.850 3.286 . 0 0 "[ . 1 . 2 . 3]" 1 920 1 56 PHE QD 1 57 GLU H 4.000 . 5.000 3.461 2.098 4.277 . 0 0 "[ . 1 . 2 . 3]" 1 921 1 55 GLN HA 1 57 GLU H 4.000 . 5.000 3.853 3.081 5.000 . 0 0 "[ . 1 . 2 . 3]" 1 922 1 57 GLU H 1 57 GLU QG 4.000 . 5.000 3.281 1.779 4.061 0.021 10 0 "[ . 1 . 2 . 3]" 1 923 1 57 GLU H 1 58 GLN H 4.000 . 5.000 3.070 2.659 3.536 . 0 0 "[ . 1 . 2 . 3]" 1 924 1 58 GLN H 1 58 GLN HA 3.000 . 3.300 2.830 2.767 2.933 . 0 0 "[ . 1 . 2 . 3]" 1 925 1 58 GLN HA 1 59 SER H 4.000 . 5.000 2.840 2.219 3.600 . 0 0 "[ . 1 . 2 . 3]" 1 926 1 58 GLN QB 1 59 SER HA 4.000 . 5.000 4.103 3.759 4.467 . 0 0 "[ . 1 . 2 . 3]" 1 927 1 58 GLN H 1 58 GLN QG 3.000 . 3.300 1.869 1.766 2.444 0.034 23 0 "[ . 1 . 2 . 3]" 1 928 1 55 GLN HA 1 58 GLN QG 4.000 . 5.000 4.208 3.729 4.478 . 0 0 "[ . 1 . 2 . 3]" 1 929 1 57 GLU QB 1 58 GLN H 3.000 . 3.300 2.271 1.827 2.928 . 0 0 "[ . 1 . 2 . 3]" 1 930 1 59 SER HA 1 62 LEU H 4.000 . 5.000 4.203 3.253 4.906 . 0 0 "[ . 1 . 2 . 3]" 1 931 1 59 SER HA 1 62 LEU QB 4.000 . 5.000 3.718 1.817 4.501 . 0 0 "[ . 1 . 2 . 3]" 1 932 1 59 SER HA 1 63 THR H 4.000 . 5.000 4.918 4.261 5.022 0.022 10 0 "[ . 1 . 2 . 3]" 1 933 1 58 GLN QB 1 59 SER H 4.000 . 5.000 2.616 1.910 3.123 . 0 0 "[ . 1 . 2 . 3]" 1 934 1 59 SER H 1 60 LYS H 4.000 . 5.000 2.938 2.429 3.255 . 0 0 "[ . 1 . 2 . 3]" 1 935 1 60 LYS HA 1 60 LYS QG 3.000 . 3.300 2.331 1.909 2.482 . 0 0 "[ . 1 . 2 . 3]" 1 936 1 60 LYS HA 1 67 ALA MB 3.000 . 3.800 2.251 1.882 2.733 . 0 0 "[ . 1 . 2 . 3]" 1 937 1 60 LYS H 1 60 LYS HA 3.000 . 3.300 2.918 2.754 2.936 . 0 0 "[ . 1 . 2 . 3]" 1 938 1 60 LYS HA 1 60 LYS QE 4.000 . 5.000 4.159 2.528 4.488 . 0 0 "[ . 1 . 2 . 3]" 1 939 1 60 LYS HA 1 67 ALA H 4.000 . 5.000 2.964 2.690 3.337 . 0 0 "[ . 1 . 2 . 3]" 1 940 1 60 LYS HA 1 61 GLN H 4.000 . 5.000 3.526 3.479 3.585 . 0 0 "[ . 1 . 2 . 3]" 1 941 1 60 LYS H 1 60 LYS QB 3.000 . 3.300 2.264 2.071 2.301 . 0 0 "[ . 1 . 2 . 3]" 1 942 1 60 LYS QB 1 61 GLN H 4.000 . 5.000 2.695 1.860 2.982 . 0 0 "[ . 1 . 2 . 3]" 1 943 1 60 LYS QB 1 60 LYS QE 4.000 . 5.000 3.043 1.825 3.632 . 0 0 "[ . 1 . 2 . 3]" 1 944 1 60 LYS H 1 60 LYS QD 4.000 . 5.000 4.275 3.900 4.466 . 0 0 "[ . 1 . 2 . 3]" 1 945 1 59 SER QB 1 60 LYS H 4.000 . 5.000 3.074 2.497 3.849 . 0 0 "[ . 1 . 2 . 3]" 1 946 1 57 GLU HA 1 60 LYS H 4.000 . 5.000 4.216 3.248 5.003 0.003 13 0 "[ . 1 . 2 . 3]" 1 947 1 60 LYS H 1 60 LYS QG 4.000 . 5.000 3.947 2.553 4.055 . 0 0 "[ . 1 . 2 . 3]" 1 948 1 60 LYS H 1 61 GLN H 3.000 . 3.300 2.516 2.388 3.239 . 0 0 "[ . 1 . 2 . 3]" 1 949 1 58 GLN QB 1 60 LYS H 4.000 . 5.000 4.464 4.222 4.539 . 0 0 "[ . 1 . 2 . 3]" 1 950 1 59 SER HA 1 60 LYS H 4.000 . 5.000 3.483 3.300 3.558 . 0 0 "[ . 1 . 2 . 3]" 1 951 1 61 GLN QB 1 62 LEU H 3.000 . 3.300 2.319 1.852 3.032 . 0 0 "[ . 1 . 2 . 3]" 1 952 1 58 GLN HA 1 61 GLN QB 4.000 . 5.000 3.762 2.721 4.499 . 0 0 "[ . 1 . 2 . 3]" 1 953 1 61 GLN H 1 61 GLN QB 3.000 . 3.300 2.229 2.096 2.413 . 0 0 "[ . 1 . 2 . 3]" 1 954 1 61 GLN QB 1 62 LEU MD1 4.000 . 5.500 2.938 2.247 3.419 . 0 0 "[ . 1 . 2 . 3]" 1 955 1 61 GLN H 1 61 GLN HA 3.000 . 3.300 2.917 2.866 2.933 . 0 0 "[ . 1 . 2 . 3]" 1 956 1 61 GLN H 1 62 LEU MD2 4.000 . 5.500 4.654 4.614 4.697 . 0 0 "[ . 1 . 2 . 3]" 1 957 1 60 LYS QG 1 61 GLN H 4.000 . 5.000 3.975 3.035 4.534 . 0 0 "[ . 1 . 2 . 3]" 1 958 1 62 LEU HA 1 62 LEU MD1 4.000 . 5.500 3.074 2.050 3.470 . 0 0 "[ . 1 . 2 . 3]" 1 959 1 62 LEU H 1 62 LEU HA 3.000 . 3.300 2.763 2.612 2.908 . 0 0 "[ . 1 . 2 . 3]" 1 960 1 62 LEU HA 1 62 LEU HG 3.000 . 3.300 3.079 2.527 3.384 0.084 25 0 "[ . 1 . 2 . 3]" 1 961 1 62 LEU H 1 62 LEU QB 3.000 . 3.300 2.779 2.262 3.032 . 0 0 "[ . 1 . 2 . 3]" 1 962 1 61 GLN H 1 62 LEU MD1 4.000 . 5.500 2.472 2.272 3.022 . 0 0 "[ . 1 . 2 . 3]" 1 963 1 62 LEU H 1 62 LEU MD1 4.000 . 5.500 1.923 1.722 2.138 0.078 15 0 "[ . 1 . 2 . 3]" 1 964 1 60 LYS QB 1 62 LEU MD1 4.000 . 5.500 4.162 4.120 4.198 . 0 0 "[ . 1 . 2 . 3]" 1 965 1 62 LEU HA 1 62 LEU MD2 4.000 . 5.500 3.972 3.793 4.078 . 0 0 "[ . 1 . 2 . 3]" 1 966 1 62 LEU H 1 62 LEU MD2 4.000 . 5.500 3.483 3.325 3.567 . 0 0 "[ . 1 . 2 . 3]" 1 967 1 61 GLN HA 1 62 LEU H 3.000 . 3.300 3.464 3.366 3.519 0.219 8 0 "[ . 1 . 2 . 3]" 1 968 1 62 LEU H 1 63 THR H 3.000 . 3.300 2.879 2.560 3.282 . 0 0 "[ . 1 . 2 . 3]" 1 969 1 61 GLN H 1 62 LEU H 3.000 . 3.300 2.659 2.323 3.031 . 0 0 "[ . 1 . 2 . 3]" 1 970 1 63 THR HA 1 63 THR MG 3.000 . 3.800 3.169 3.108 3.196 . 0 0 "[ . 1 . 2 . 3]" 1 971 1 63 THR MG 1 64 GLU QG 4.000 . 5.500 3.572 3.111 3.737 . 0 0 "[ . 1 . 2 . 3]" 1 972 1 63 THR H 1 63 THR MG 4.000 . 5.500 2.140 1.776 2.384 0.024 11 0 "[ . 1 . 2 . 3]" 1 973 1 61 GLN H 1 63 THR MG 4.000 . 5.500 4.126 3.724 4.612 . 0 0 "[ . 1 . 2 . 3]" 1 974 1 63 THR MG 1 66 GLY QA 3.000 . 3.800 2.500 2.000 2.834 . 0 0 "[ . 1 . 2 . 3]" 1 975 1 62 LEU H 1 63 THR MG 4.000 . 5.500 4.115 3.094 4.600 . 0 0 "[ . 1 . 2 . 3]" 1 976 1 62 LEU QB 1 63 THR H 4.000 . 5.000 3.235 2.577 3.441 . 0 0 "[ . 1 . 2 . 3]" 1 977 1 63 THR H 1 64 GLU HA 4.000 . 5.000 4.738 4.244 5.024 0.024 24 0 "[ . 1 . 2 . 3]" 1 978 1 62 LEU MD1 1 63 THR H 4.000 . 5.500 2.385 1.743 3.910 0.057 18 0 "[ . 1 . 2 . 3]" 1 979 1 63 THR H 1 64 GLU H 4.000 . 5.000 3.807 2.944 4.185 . 0 0 "[ . 1 . 2 . 3]" 1 980 1 62 LEU HA 1 63 THR H 3.000 . 3.300 3.426 3.267 3.528 0.228 24 0 "[ . 1 . 2 . 3]" 1 981 1 61 GLN QB 1 63 THR H 4.000 . 5.000 4.298 4.184 4.487 . 0 0 "[ . 1 . 2 . 3]" 1 982 1 64 GLU H 1 64 GLU HA 3.000 . 3.300 2.900 2.774 2.991 . 0 0 "[ . 1 . 2 . 3]" 1 983 1 63 THR HB 1 64 GLU H 3.000 . 3.300 3.384 3.364 3.424 0.124 23 0 "[ . 1 . 2 . 3]" 1 984 1 64 GLU H 1 65 ASN H 4.000 . 5.000 2.686 1.794 3.545 0.006 23 0 "[ . 1 . 2 . 3]" 1 985 1 63 THR MG 1 64 GLU H 4.000 . 5.500 1.873 1.786 1.957 0.014 6 0 "[ . 1 . 2 . 3]" 1 986 1 65 ASN HA 1 68 GLU H 3.000 . 3.300 3.311 3.139 3.355 0.055 10 0 "[ . 1 . 2 . 3]" 1 987 1 65 ASN H 1 65 ASN HA 3.000 . 3.300 2.515 2.345 2.948 . 0 0 "[ . 1 . 2 . 3]" 1 988 1 63 THR MG 1 65 ASN HA 4.000 . 5.500 4.064 3.211 4.565 . 0 0 "[ . 1 . 2 . 3]" 1 989 1 64 GLU H 1 65 ASN QB 4.000 . 5.000 4.523 4.443 4.611 . 0 0 "[ . 1 . 2 . 3]" 1 990 1 64 GLU QG 1 65 ASN H 4.000 . 5.000 3.607 1.848 4.441 . 0 0 "[ . 1 . 2 . 3]" 1 991 1 65 ASN H 1 66 GLY QA 4.000 . 5.000 4.169 3.543 4.512 . 0 0 "[ . 1 . 2 . 3]" 1 992 1 13 ILE QG 1 66 GLY QA 4.000 . 5.000 2.152 1.753 2.554 0.047 7 0 "[ . 1 . 2 . 3]" 1 993 1 66 GLY QA 1 70 VAL H 4.000 . 5.000 4.093 3.594 4.356 . 0 0 "[ . 1 . 2 . 3]" 1 994 1 66 GLY QA 1 67 ALA H 3.000 . 3.300 2.538 2.366 2.727 . 0 0 "[ . 1 . 2 . 3]" 1 995 1 63 THR HB 1 66 GLY QA 4.000 . 5.000 4.183 3.912 4.481 . 0 0 "[ . 1 . 2 . 3]" 1 996 1 64 GLU H 1 66 GLY QA 4.000 . 5.000 3.753 3.300 4.488 . 0 0 "[ . 1 . 2 . 3]" 1 997 1 66 GLY QA 1 68 GLU H 4.000 . 5.000 4.177 3.748 4.476 . 0 0 "[ . 1 . 2 . 3]" 1 998 1 13 ILE HB 1 66 GLY QA 4.000 . 5.000 3.316 2.170 4.095 . 0 0 "[ . 1 . 2 . 3]" 1 999 1 64 GLU QG 1 66 GLY H 4.000 . 5.000 3.629 3.103 4.462 . 0 0 "[ . 1 . 2 . 3]" 1 1000 1 13 ILE QG 1 66 GLY H 4.000 . 5.000 4.129 3.098 4.485 . 0 0 "[ . 1 . 2 . 3]" 1 1001 1 66 GLY H 1 67 ALA H 3.000 . 3.300 2.864 2.384 3.130 . 0 0 "[ . 1 . 2 . 3]" 1 1002 1 60 LYS QG 1 66 GLY H 4.000 . 5.000 4.259 3.802 4.484 . 0 0 "[ . 1 . 2 . 3]" 1 1003 1 65 ASN QB 1 66 GLY H 4.000 . 5.000 3.627 3.243 4.072 . 0 0 "[ . 1 . 2 . 3]" 1 1004 1 65 ASN H 1 66 GLY H 4.000 . 5.000 2.332 1.841 2.631 . 0 0 "[ . 1 . 2 . 3]" 1 1005 1 63 THR HB 1 66 GLY H 4.000 . 5.000 4.422 3.989 4.707 . 0 0 "[ . 1 . 2 . 3]" 1 1006 1 60 LYS HA 1 67 ALA HA 4.000 . 5.000 4.956 4.620 5.074 0.074 5 0 "[ . 1 . 2 . 3]" 1 1007 1 67 ALA HA 1 71 LEU QB 4.000 . 5.000 4.478 4.288 4.534 . 0 0 "[ . 1 . 2 . 3]" 1 1008 1 67 ALA HA 1 70 VAL HB 3.000 . 3.300 3.043 2.622 3.322 0.022 5 0 "[ . 1 . 2 . 3]" 1 1009 1 67 ALA H 1 67 ALA HA 3.000 . 3.300 2.872 2.830 2.928 . 0 0 "[ . 1 . 2 . 3]" 1 1010 1 67 ALA HA 1 71 LEU H 4.000 . 5.000 4.100 3.923 4.281 . 0 0 "[ . 1 . 2 . 3]" 1 1011 1 67 ALA H 1 67 ALA MB 2.400 . 3.200 2.190 2.043 2.257 . 0 0 "[ . 1 . 2 . 3]" 1 1012 1 67 ALA MB 1 68 GLU H 3.000 . 3.800 2.527 2.346 2.747 . 0 0 "[ . 1 . 2 . 3]" 1 1013 1 60 LYS QB 1 67 ALA H 4.000 . 5.000 4.386 3.681 4.523 . 0 0 "[ . 1 . 2 . 3]" 1 1014 1 63 THR HB 1 67 ALA H 4.000 . 5.000 4.876 4.483 5.049 0.049 10 0 "[ . 1 . 2 . 3]" 1 1015 1 67 ALA H 1 68 GLU H 3.000 . 3.300 2.689 2.500 2.825 . 0 0 "[ . 1 . 2 . 3]" 1 1016 1 68 GLU H 1 68 GLU QB 2.400 . 2.700 2.172 2.059 2.334 . 0 0 "[ . 1 . 2 . 3]" 1 1017 1 60 LYS HA 1 68 GLU H 4.000 . 5.000 3.844 3.231 4.598 . 0 0 "[ . 1 . 2 . 3]" 1 1018 1 60 LYS QG 1 68 GLU H 3.000 . 3.300 2.504 1.809 2.951 . 0 0 "[ . 1 . 2 . 3]" 1 1019 1 68 GLU H 1 68 GLU HA 2.400 . 2.700 2.826 2.796 2.877 0.177 7 0 "[ . 1 . 2 . 3]" 1 1020 1 69 SER H 1 69 SER QB 2.400 . 2.700 2.189 2.095 2.347 . 0 0 "[ . 1 . 2 . 3]" 1 1021 1 34 LEU MD2 1 69 SER H 4.000 . 5.500 4.417 4.044 4.598 . 0 0 "[ . 1 . 2 . 3]" 1 1022 1 69 SER H 1 70 VAL H 3.000 . 3.300 2.636 2.550 2.721 . 0 0 "[ . 1 . 2 . 3]" 1 1023 1 70 VAL HA 1 70 VAL MG2 3.000 . 3.800 2.335 2.172 2.433 . 0 0 "[ . 1 . 2 . 3]" 1 1024 1 70 VAL HB 1 71 LEU MD1 4.000 . 5.500 4.659 4.602 4.700 . 0 0 "[ . 1 . 2 . 3]" 1 1025 1 70 VAL HB 1 74 PHE QE 4.000 . 5.000 4.325 4.077 4.581 . 0 0 "[ . 1 . 2 . 3]" 1 1026 1 70 VAL HA 1 70 VAL HB 3.000 . 3.300 3.038 3.031 3.043 . 0 0 "[ . 1 . 2 . 3]" 1 1027 1 70 VAL HB 1 71 LEU H 3.000 . 3.300 2.808 2.527 3.031 . 0 0 "[ . 1 . 2 . 3]" 1 1028 1 70 VAL H 1 70 VAL HB 2.400 . 2.700 2.543 2.436 2.645 . 0 0 "[ . 1 . 2 . 3]" 1 1029 1 70 VAL MG1 1 71 LEU HA 4.000 . 5.500 3.439 3.020 3.710 . 0 0 "[ . 1 . 2 . 3]" 1 1030 1 70 VAL H 1 70 VAL MG1 4.000 . 5.500 3.792 3.779 3.806 . 0 0 "[ . 1 . 2 . 3]" 1 1031 1 70 VAL MG1 1 74 PHE QE 3.000 . 3.800 1.813 1.749 1.923 0.051 6 0 "[ . 1 . 2 . 3]" 1 1032 1 70 VAL MG1 1 74 PHE HA 4.000 . 5.500 4.655 4.609 4.694 . 0 0 "[ . 1 . 2 . 3]" 1 1033 1 5 ILE MD 1 70 VAL MG1 4.000 . 6.000 3.232 2.976 3.607 . 0 0 "[ . 1 . 2 . 3]" 1 1034 1 20 LEU MD2 1 70 VAL MG1 3.000 . 4.300 2.660 2.298 2.987 . 0 0 "[ . 1 . 2 . 3]" 1 1035 1 51 LEU MD1 1 70 VAL MG1 3.000 . 4.300 3.079 3.018 3.151 . 0 0 "[ . 1 . 2 . 3]" 1 1036 1 37 LEU MD1 1 70 VAL MG1 3.000 . 4.300 1.780 1.633 2.232 0.167 5 0 "[ . 1 . 2 . 3]" 1 1037 1 70 VAL MG1 1 71 LEU H 4.000 . 5.500 3.567 3.169 3.789 . 0 0 "[ . 1 . 2 . 3]" 1 1038 1 70 VAL H 1 70 VAL MG2 2.400 . 3.200 2.278 2.103 2.495 . 0 0 "[ . 1 . 2 . 3]" 1 1039 1 70 VAL MG2 1 71 LEU H 4.000 . 5.500 3.929 3.826 4.032 . 0 0 "[ . 1 . 2 . 3]" 1 1040 1 34 LEU MD2 1 70 VAL H 4.000 . 5.500 4.113 3.274 4.496 . 0 0 "[ . 1 . 2 . 3]" 1 1041 1 70 VAL H 1 70 VAL HA 2.400 . 2.700 2.805 2.783 2.839 0.139 22 0 "[ . 1 . 2 . 3]" 1 1042 1 71 LEU HA 1 71 LEU HG 3.000 . 3.300 3.116 2.949 3.428 0.128 14 0 "[ . 1 . 2 . 3]" 1 1043 1 71 LEU HA 1 71 LEU MD1 3.000 . 3.800 1.758 1.661 1.805 0.139 24 0 "[ . 1 . 2 . 3]" 1 1044 1 70 VAL H 1 71 LEU HA 4.000 . 5.000 5.195 5.130 5.220 0.220 4 0 "[ . 1 . 2 . 3]" 1 1045 1 71 LEU H 1 71 LEU QB 3.000 . 3.300 2.246 2.141 2.310 . 0 0 "[ . 1 . 2 . 3]" 1 1046 1 71 LEU QB 1 71 LEU MD2 3.000 . 3.800 2.043 1.859 2.106 . 0 0 "[ . 1 . 2 . 3]" 1 1047 1 71 LEU QB 1 72 GLN H 4.000 . 5.000 2.597 2.373 2.969 . 0 0 "[ . 1 . 2 . 3]" 1 1048 1 71 LEU MD1 1 86 ILE QG 3.000 . 3.800 1.947 1.738 2.175 0.062 22 0 "[ . 1 . 2 . 3]" 1 1049 1 71 LEU H 1 71 LEU MD1 4.000 . 5.500 3.804 3.675 3.926 . 0 0 "[ . 1 . 2 . 3]" 1 1050 1 71 LEU QB 1 71 LEU MD1 3.000 . 3.800 2.423 2.338 2.667 . 0 0 "[ . 1 . 2 . 3]" 1 1051 1 71 LEU MD1 1 88 LEU MD2 4.000 . 6.000 3.150 1.785 4.123 0.015 15 0 "[ . 1 . 2 . 3]" 1 1052 1 71 LEU MD1 1 72 GLN H 4.000 . 5.500 4.379 4.227 4.463 . 0 0 "[ . 1 . 2 . 3]" 1 1053 1 71 LEU MD1 1 74 PHE H 4.000 . 5.500 3.717 3.553 3.962 . 0 0 "[ . 1 . 2 . 3]" 1 1054 1 71 LEU MD1 1 74 PHE HB2 4.000 . 5.500 2.258 2.061 2.589 . 0 0 "[ . 1 . 2 . 3]" 1 1055 1 71 LEU HA 1 71 LEU MD2 4.000 . 5.500 3.471 2.567 3.653 . 0 0 "[ . 1 . 2 . 3]" 1 1056 1 68 GLU HA 1 71 LEU MD2 4.000 . 5.500 3.412 3.154 3.839 . 0 0 "[ . 1 . 2 . 3]" 1 1057 1 71 LEU H 1 71 LEU MD2 4.000 . 5.500 4.016 2.845 4.311 . 0 0 "[ . 1 . 2 . 3]" 1 1058 1 71 LEU MD2 1 75 ARG QD 4.000 . 5.500 3.398 2.827 4.082 . 0 0 "[ . 1 . 2 . 3]" 1 1059 1 71 LEU H 1 71 LEU HG 4.000 . 5.000 4.588 4.513 4.728 . 0 0 "[ . 1 . 2 . 3]" 1 1060 1 69 SER HA 1 71 LEU H 4.000 . 5.000 3.807 3.651 4.099 . 0 0 "[ . 1 . 2 . 3]" 1 1061 1 70 VAL H 1 71 LEU H 2.400 . 2.700 2.578 2.506 2.613 . 0 0 "[ . 1 . 2 . 3]" 1 1062 1 53 TRP HZ3 1 71 LEU H 4.000 . 5.000 3.628 3.323 4.275 . 0 0 "[ . 1 . 2 . 3]" 1 1063 1 70 VAL HA 1 71 LEU H 4.000 . 5.000 3.460 3.444 3.494 . 0 0 "[ . 1 . 2 . 3]" 1 1064 1 72 GLN HA 1 75 ARG HB3 4.000 . 5.000 4.479 4.190 4.788 . 0 0 "[ . 1 . 2 . 3]" 1 1065 1 72 GLN HA 1 72 GLN QG 3.000 . 3.300 2.189 1.994 3.134 . 0 0 "[ . 1 . 2 . 3]" 1 1066 1 72 GLN HA 1 75 ARG HB2 4.000 . 5.000 3.143 2.981 3.339 . 0 0 "[ . 1 . 2 . 3]" 1 1067 1 72 GLN H 1 72 GLN HA 3.000 . 3.300 2.831 2.803 2.878 . 0 0 "[ . 1 . 2 . 3]" 1 1068 1 69 SER HA 1 72 GLN QB 4.000 . 5.000 2.306 2.176 2.546 . 0 0 "[ . 1 . 2 . 3]" 1 1069 1 72 GLN H 1 72 GLN QB 3.000 . 3.300 2.232 2.049 2.391 . 0 0 "[ . 1 . 2 . 3]" 1 1070 1 72 GLN QB 1 73 VAL H 3.000 . 3.300 2.803 2.668 3.127 . 0 0 "[ . 1 . 2 . 3]" 1 1071 1 72 GLN QB 1 73 VAL MG2 4.000 . 5.500 3.108 2.915 3.726 . 0 0 "[ . 1 . 2 . 3]" 1 1072 1 72 GLN H 1 72 GLN QG 3.000 . 3.300 2.778 2.367 3.030 . 0 0 "[ . 1 . 2 . 3]" 1 1073 1 69 SER HA 1 72 GLN H 2.400 . 2.700 2.838 2.788 2.881 0.181 2 0 "[ . 1 . 2 . 3]" 1 1074 1 71 LEU MD2 1 72 GLN H 4.000 . 5.500 4.648 4.502 4.773 . 0 0 "[ . 1 . 2 . 3]" 1 1075 1 72 GLN H 1 74 PHE H 4.000 . 5.000 4.396 4.264 4.532 . 0 0 "[ . 1 . 2 . 3]" 1 1076 1 70 VAL H 1 72 GLN H 4.000 . 5.000 4.228 3.963 4.407 . 0 0 "[ . 1 . 2 . 3]" 1 1077 1 73 VAL HA 1 73 VAL HB 3.000 . 3.300 3.025 3.020 3.031 . 0 0 "[ . 1 . 2 . 3]" 1 1078 1 73 VAL H 1 73 VAL HB 3.000 . 3.300 2.421 2.349 2.465 . 0 0 "[ . 1 . 2 . 3]" 1 1079 1 41 LEU MD1 1 73 VAL HB 3.000 . 3.800 3.226 3.166 3.272 . 0 0 "[ . 1 . 2 . 3]" 1 1080 1 73 VAL HB 1 73 VAL MG2 2.400 . 3.200 2.115 2.103 2.145 . 0 0 "[ . 1 . 2 . 3]" 1 1081 1 72 GLN H 1 73 VAL HB 4.000 . 5.000 4.814 4.625 4.969 . 0 0 "[ . 1 . 2 . 3]" 1 1082 1 70 VAL HA 1 73 VAL HB 4.000 . 5.000 2.908 2.700 3.043 . 0 0 "[ . 1 . 2 . 3]" 1 1083 1 37 LEU HG 1 73 VAL MG1 3.000 . 3.800 3.070 2.768 3.221 . 0 0 "[ . 1 . 2 . 3]" 1 1084 1 73 VAL HA 1 73 VAL MG1 3.000 . 3.800 2.437 2.377 2.521 . 0 0 "[ . 1 . 2 . 3]" 1 1085 1 38 TRP QB 1 73 VAL MG1 3.000 . 3.800 1.742 1.709 1.780 0.091 6 0 "[ . 1 . 2 . 3]" 1 1086 1 73 VAL H 1 73 VAL MG1 4.000 . 5.500 3.754 3.732 3.772 . 0 0 "[ . 1 . 2 . 3]" 1 1087 1 41 LEU H 1 73 VAL MG1 4.000 . 5.500 4.149 3.872 4.314 . 0 0 "[ . 1 . 2 . 3]" 1 1088 1 72 GLN H 1 73 VAL MG2 4.000 . 5.500 4.253 4.093 4.417 . 0 0 "[ . 1 . 2 . 3]" 1 1089 1 38 TRP H 1 73 VAL MG2 4.000 . 5.500 2.992 2.342 3.340 . 0 0 "[ . 1 . 2 . 3]" 1 1090 1 73 VAL MG2 1 76 GLU H 4.000 . 5.500 4.731 4.699 4.778 . 0 0 "[ . 1 . 2 . 3]" 1 1091 1 73 VAL HA 1 73 VAL MG2 3.000 . 3.800 2.223 2.095 2.313 . 0 0 "[ . 1 . 2 . 3]" 1 1092 1 73 VAL H 1 73 VAL MG2 2.400 . 3.200 2.467 2.338 2.576 . 0 0 "[ . 1 . 2 . 3]" 1 1093 1 70 VAL HA 1 73 VAL MG2 3.000 . 3.800 3.206 3.163 3.251 . 0 0 "[ . 1 . 2 . 3]" 1 1094 1 34 LEU HA 1 73 VAL MG2 3.000 . 3.800 2.056 1.677 2.538 0.123 14 0 "[ . 1 . 2 . 3]" 1 1095 1 72 GLN HA 1 73 VAL H 3.000 . 3.300 3.460 3.439 3.475 0.175 15 0 "[ . 1 . 2 . 3]" 1 1096 1 70 VAL MG1 1 73 VAL H 4.000 . 5.500 4.481 4.288 4.594 . 0 0 "[ . 1 . 2 . 3]" 1 1097 1 72 GLN H 1 73 VAL H 2.400 . 2.700 2.629 2.469 2.721 0.021 11 0 "[ . 1 . 2 . 3]" 1 1098 1 34 LEU QB 1 73 VAL H 4.000 . 5.000 4.123 3.623 4.524 . 0 0 "[ . 1 . 2 . 3]" 1 1099 1 73 VAL H 1 73 VAL HA 3.000 . 3.300 2.929 2.904 2.942 . 0 0 "[ . 1 . 2 . 3]" 1 1100 1 73 VAL H 1 74 PHE HB2 4.000 . 5.000 4.292 4.191 4.417 . 0 0 "[ . 1 . 2 . 3]" 1 1101 1 69 SER HA 1 73 VAL H 4.000 . 5.000 4.155 4.030 4.276 . 0 0 "[ . 1 . 2 . 3]" 1 1102 1 74 PHE HA 1 75 ARG H 4.000 . 5.000 3.535 3.525 3.551 . 0 0 "[ . 1 . 2 . 3]" 1 1103 1 74 PHE HB2 1 75 ARG H 3.000 . 3.300 2.530 2.465 2.609 . 0 0 "[ . 1 . 2 . 3]" 1 1104 1 71 LEU HA 1 74 PHE HB2 4.000 . 5.000 2.117 1.970 2.402 . 0 0 "[ . 1 . 2 . 3]" 1 1105 1 74 PHE HB2 1 86 ILE MD 4.000 . 5.500 3.241 3.184 3.294 . 0 0 "[ . 1 . 2 . 3]" 1 1106 1 74 PHE H 1 74 PHE HB2 3.000 . 3.300 2.136 2.119 2.191 . 0 0 "[ . 1 . 2 . 3]" 1 1107 1 71 LEU HA 1 74 PHE HB3 4.000 . 5.000 3.639 3.482 3.782 . 0 0 "[ . 1 . 2 . 3]" 1 1108 1 74 PHE HB3 1 86 ILE MD 3.000 . 3.800 1.810 1.759 1.852 0.041 21 0 "[ . 1 . 2 . 3]" 1 1109 1 74 PHE HB3 1 75 ARG H 4.000 . 5.000 2.829 2.741 2.931 . 0 0 "[ . 1 . 2 . 3]" 1 1110 1 74 PHE H 1 74 PHE HB3 3.000 . 3.300 3.448 3.432 3.484 0.184 21 0 "[ . 1 . 2 . 3]" 1 1111 1 74 PHE H 1 74 PHE QD 4.000 . 5.000 2.844 2.421 3.262 . 0 0 "[ . 1 . 2 . 3]" 1 1112 1 37 LEU MD2 1 74 PHE QD 3.000 . 3.800 2.781 2.359 2.926 . 0 0 "[ . 1 . 2 . 3]" 1 1113 1 49 LEU MD2 1 74 PHE QD 4.000 . 5.500 2.487 2.428 2.617 . 0 0 "[ . 1 . 2 . 3]" 1 1114 1 74 PHE QD 1 84 ILE MG 3.000 . 3.800 1.909 1.784 2.109 0.016 7 0 "[ . 1 . 2 . 3]" 1 1115 1 74 PHE HB2 1 74 PHE QD 3.000 . 3.300 2.347 2.289 2.429 . 0 0 "[ . 1 . 2 . 3]" 1 1116 1 74 PHE HA 1 74 PHE QD 3.000 . 3.300 2.641 2.140 2.955 . 0 0 "[ . 1 . 2 . 3]" 1 1117 1 71 LEU HA 1 74 PHE QD 4.000 . 5.000 2.978 2.581 3.697 . 0 0 "[ . 1 . 2 . 3]" 1 1118 1 70 VAL MG1 1 74 PHE QD 4.000 . 5.500 1.772 1.675 1.938 0.125 24 0 "[ . 1 . 2 . 3]" 1 1119 1 74 PHE HB3 1 74 PHE QD 3.000 . 3.300 2.520 2.392 2.685 . 0 0 "[ . 1 . 2 . 3]" 1 1120 1 51 LEU HG 1 74 PHE QD 4.000 . 5.000 4.584 4.506 4.641 . 0 0 "[ . 1 . 2 . 3]" 1 1121 1 41 LEU MD1 1 74 PHE QD 3.000 . 3.800 2.727 2.492 2.843 . 0 0 "[ . 1 . 2 . 3]" 1 1122 1 51 LEU MD2 1 74 PHE QD 4.000 . 5.500 2.550 2.331 2.715 . 0 0 "[ . 1 . 2 . 3]" 1 1123 1 73 VAL HB 1 74 PHE QD 4.000 . 5.000 4.010 3.408 4.481 . 0 0 "[ . 1 . 2 . 3]" 1 1124 1 51 LEU MD1 1 74 PHE QD 4.000 . 5.500 2.630 2.480 2.778 . 0 0 "[ . 1 . 2 . 3]" 1 1125 1 74 PHE QD 1 77 ALA MB 4.000 . 5.500 4.031 3.601 4.180 . 0 0 "[ . 1 . 2 . 3]" 1 1126 1 49 LEU HG 1 74 PHE QD 4.000 . 5.000 4.510 4.387 4.563 . 0 0 "[ . 1 . 2 . 3]" 1 1127 1 41 LEU MD2 1 74 PHE QE 3.000 . 3.800 2.055 1.682 2.521 0.118 14 0 "[ . 1 . 2 . 3]" 1 1128 1 24 LEU MD1 1 74 PHE QE 3.000 . 3.800 2.821 2.639 2.867 . 0 0 "[ . 1 . 2 . 3]" 1 1129 1 41 LEU MD1 1 74 PHE QE 4.000 . 5.500 2.749 2.595 2.915 . 0 0 "[ . 1 . 2 . 3]" 1 1130 1 51 LEU MD2 1 74 PHE QE 4.000 . 5.500 3.654 3.479 3.800 . 0 0 "[ . 1 . 2 . 3]" 1 1131 1 24 LEU MD2 1 74 PHE QE 3.000 . 3.800 2.512 2.132 2.838 . 0 0 "[ . 1 . 2 . 3]" 1 1132 1 71 LEU HA 1 74 PHE H 4.000 . 5.000 2.984 2.761 3.362 . 0 0 "[ . 1 . 2 . 3]" 1 1133 1 73 VAL HA 1 74 PHE H 4.000 . 5.000 3.585 3.571 3.600 . 0 0 "[ . 1 . 2 . 3]" 1 1134 1 73 VAL HB 1 74 PHE H 2.400 . 2.700 2.478 2.226 2.621 . 0 0 "[ . 1 . 2 . 3]" 1 1135 1 74 PHE H 1 75 ARG H 2.400 . 2.700 2.796 2.742 2.886 0.186 14 0 "[ . 1 . 2 . 3]" 1 1136 1 74 PHE H 1 74 PHE HA 2.400 . 2.700 2.775 2.749 2.797 0.097 26 0 "[ . 1 . 2 . 3]" 1 1137 1 73 VAL MG2 1 74 PHE H 4.000 . 5.500 3.860 3.720 3.960 . 0 0 "[ . 1 . 2 . 3]" 1 1138 1 70 VAL MG1 1 74 PHE H 4.000 . 5.500 3.517 3.387 3.612 . 0 0 "[ . 1 . 2 . 3]" 1 1139 1 51 LEU MD2 1 74 PHE HZ 4.000 . 5.500 4.670 4.607 4.741 . 0 0 "[ . 1 . 2 . 3]" 1 1140 1 20 LEU HB3 1 74 PHE HZ 3.000 . 3.300 3.064 2.662 3.316 0.016 18 0 "[ . 1 . 2 . 3]" 1 1141 1 51 LEU MD1 1 74 PHE HZ 4.000 . 5.500 2.796 2.711 2.938 . 0 0 "[ . 1 . 2 . 3]" 1 1142 1 70 VAL MG1 1 74 PHE HZ 4.000 . 5.500 3.723 3.604 3.851 . 0 0 "[ . 1 . 2 . 3]" 1 1143 1 75 ARG HA 1 78 LYS HB2 4.000 . 5.000 4.577 4.293 5.073 0.073 2 0 "[ . 1 . 2 . 3]" 1 1144 1 75 ARG HA 1 75 ARG QD 4.000 . 5.000 3.943 2.638 4.141 . 0 0 "[ . 1 . 2 . 3]" 1 1145 1 75 ARG HA 1 75 ARG QG 3.000 . 3.300 2.225 2.062 2.479 . 0 0 "[ . 1 . 2 . 3]" 1 1146 1 75 ARG HB2 1 76 GLU H 4.000 . 5.000 2.750 2.493 2.996 . 0 0 "[ . 1 . 2 . 3]" 1 1147 1 75 ARG HB3 1 76 GLU H 4.000 . 5.000 3.377 3.116 3.639 . 0 0 "[ . 1 . 2 . 3]" 1 1148 1 71 LEU HG 1 75 ARG H 4.000 . 5.000 4.200 3.660 5.230 0.230 22 0 "[ . 1 . 2 . 3]" 1 1149 1 71 LEU MD1 1 75 ARG H 2.400 . 3.200 2.757 2.550 2.815 . 0 0 "[ . 1 . 2 . 3]" 1 1150 1 51 LEU MD2 1 75 ARG H 4.000 . 5.500 4.052 3.915 4.388 . 0 0 "[ . 1 . 2 . 3]" 1 1151 1 75 ARG H 1 76 GLU H 2.400 . 2.700 2.741 2.718 2.777 0.077 21 0 "[ . 1 . 2 . 3]" 1 1152 1 75 ARG H 1 75 ARG QD 4.000 . 5.000 3.769 3.122 4.472 . 0 0 "[ . 1 . 2 . 3]" 1 1153 1 76 GLU HA 1 79 ALA MB 3.000 . 3.800 2.467 2.373 2.526 . 0 0 "[ . 1 . 2 . 3]" 1 1154 1 76 GLU HA 1 79 ALA H 4.000 . 5.000 3.683 3.586 4.639 . 0 0 "[ . 1 . 2 . 3]" 1 1155 1 76 GLU HA 1 76 GLU QG 3.000 . 3.300 2.288 2.110 2.668 . 0 0 "[ . 1 . 2 . 3]" 1 1156 1 76 GLU H 1 76 GLU HA 3.000 . 3.300 2.846 2.817 2.869 . 0 0 "[ . 1 . 2 . 3]" 1 1157 1 76 GLU HA 1 77 ALA H 4.000 . 5.000 3.464 3.418 3.516 . 0 0 "[ . 1 . 2 . 3]" 1 1158 1 73 VAL H 1 76 GLU QB 4.000 . 5.000 4.288 4.131 4.476 . 0 0 "[ . 1 . 2 . 3]" 1 1159 1 73 VAL HA 1 76 GLU QB 3.000 . 3.300 1.865 1.797 2.049 0.003 11 0 "[ . 1 . 2 . 3]" 1 1160 1 76 GLU H 1 76 GLU QB 3.000 . 3.300 2.187 2.124 2.336 . 0 0 "[ . 1 . 2 . 3]" 1 1161 1 76 GLU QB 1 77 ALA H 3.000 . 3.300 2.907 2.736 2.989 . 0 0 "[ . 1 . 2 . 3]" 1 1162 1 76 GLU H 1 77 ALA MB 4.000 . 5.500 4.330 4.245 4.420 . 0 0 "[ . 1 . 2 . 3]" 1 1163 1 76 GLU H 1 76 GLU QG 3.000 . 3.300 2.852 2.485 2.989 . 0 0 "[ . 1 . 2 . 3]" 1 1164 1 74 PHE H 1 76 GLU H 4.000 . 5.000 3.938 3.857 4.077 . 0 0 "[ . 1 . 2 . 3]" 1 1165 1 76 GLU H 1 79 ALA MB 4.000 . 5.500 4.252 4.153 4.313 . 0 0 "[ . 1 . 2 . 3]" 1 1166 1 73 VAL HA 1 76 GLU H 3.000 . 3.300 3.093 3.008 3.196 . 0 0 "[ . 1 . 2 . 3]" 1 1167 1 38 TRP HZ3 1 76 GLU H 4.000 . 5.000 4.421 4.209 4.531 . 0 0 "[ . 1 . 2 . 3]" 1 1168 1 72 GLN HA 1 76 GLU H 4.000 . 5.000 3.969 3.769 4.180 . 0 0 "[ . 1 . 2 . 3]" 1 1169 1 77 ALA H 1 77 ALA HA 3.000 . 3.300 2.927 2.920 2.932 . 0 0 "[ . 1 . 2 . 3]" 1 1170 1 77 ALA HA 1 78 LYS H 4.000 . 5.000 3.594 3.564 3.608 . 0 0 "[ . 1 . 2 . 3]" 1 1171 1 77 ALA HA 1 80 GLU H 4.000 . 5.000 3.846 3.520 4.051 . 0 0 "[ . 1 . 2 . 3]" 1 1172 1 77 ALA MB 1 82 ALA MB 4.000 . 6.000 1.705 1.625 1.769 0.175 5 0 "[ . 1 . 2 . 3]" 1 1173 1 41 LEU MD1 1 77 ALA MB 3.000 . 4.300 3.026 2.995 3.065 . 0 0 "[ . 1 . 2 . 3]" 1 1174 1 77 ALA MB 1 78 LYS H 3.000 . 3.800 2.278 2.065 2.493 . 0 0 "[ . 1 . 2 . 3]" 1 1175 1 77 ALA H 1 77 ALA MB 3.000 . 3.800 2.209 2.103 2.276 . 0 0 "[ . 1 . 2 . 3]" 1 1176 1 77 ALA MB 1 78 LYS HA 4.000 . 5.500 3.791 3.687 3.886 . 0 0 "[ . 1 . 2 . 3]" 1 1177 1 74 PHE H 1 77 ALA H 4.000 . 5.000 4.689 4.566 4.800 . 0 0 "[ . 1 . 2 . 3]" 1 1178 1 77 ALA H 1 78 LYS H 3.000 . 3.300 2.605 2.467 2.813 . 0 0 "[ . 1 . 2 . 3]" 1 1179 1 38 TRP HZ3 1 77 ALA H 2.400 . 2.700 2.691 2.543 2.743 0.043 29 0 "[ . 1 . 2 . 3]" 1 1180 1 76 GLU H 1 77 ALA H 2.400 . 2.700 2.675 2.592 2.751 0.051 13 0 "[ . 1 . 2 . 3]" 1 1181 1 41 LEU MD1 1 77 ALA H 4.000 . 5.500 4.406 4.222 4.595 . 0 0 "[ . 1 . 2 . 3]" 1 1182 1 73 VAL MG1 1 77 ALA H 4.000 . 5.500 4.013 3.902 4.202 . 0 0 "[ . 1 . 2 . 3]" 1 1183 1 77 ALA H 1 84 ILE MD 4.000 . 5.500 3.787 3.595 3.922 . 0 0 "[ . 1 . 2 . 3]" 1 1184 1 75 ARG HB3 1 77 ALA H 4.000 . 5.000 5.005 4.799 5.084 0.084 6 0 "[ . 1 . 2 . 3]" 1 1185 1 73 VAL HA 1 77 ALA H 4.000 . 5.000 4.123 4.020 4.229 . 0 0 "[ . 1 . 2 . 3]" 1 1186 1 76 GLU QG 1 77 ALA H 4.000 . 5.000 4.437 4.256 4.473 . 0 0 "[ . 1 . 2 . 3]" 1 1187 1 78 LYS H 1 78 LYS HB2 3.000 . 3.300 3.463 3.063 3.559 0.259 16 0 "[ . 1 . 2 . 3]" 1 1188 1 78 LYS HA 1 78 LYS HB2 3.000 . 3.300 2.344 2.241 2.550 . 0 0 "[ . 1 . 2 . 3]" 1 1189 1 78 LYS HB3 1 78 LYS QE 4.000 . 5.000 2.870 2.535 3.287 . 0 0 "[ . 1 . 2 . 3]" 1 1190 1 75 ARG HA 1 78 LYS HB3 4.000 . 5.000 3.430 2.931 4.236 . 0 0 "[ . 1 . 2 . 3]" 1 1191 1 78 LYS H 1 78 LYS HB3 3.000 . 3.300 2.272 2.085 2.749 . 0 0 "[ . 1 . 2 . 3]" 1 1192 1 78 LYS H 1 84 ILE HB 4.000 . 5.000 3.037 2.644 3.262 . 0 0 "[ . 1 . 2 . 3]" 1 1193 1 78 LYS H 1 84 ILE MD 3.000 . 3.800 2.802 2.156 3.142 . 0 0 "[ . 1 . 2 . 3]" 1 1194 1 78 LYS H 1 84 ILE MG 4.000 . 5.500 4.144 3.851 4.342 . 0 0 "[ . 1 . 2 . 3]" 1 1195 1 79 ALA HA 1 79 ALA MB 2.400 . 3.200 2.128 2.118 2.154 . 0 0 "[ . 1 . 2 . 3]" 1 1196 1 78 LYS QG 1 79 ALA HA 4.000 . 5.000 3.573 3.301 4.311 . 0 0 "[ . 1 . 2 . 3]" 1 1197 1 79 ALA H 1 79 ALA HA 3.000 . 3.300 2.954 2.934 2.971 . 0 0 "[ . 1 . 2 . 3]" 1 1198 1 79 ALA H 1 79 ALA MB 2.400 . 3.200 2.232 2.145 2.710 . 0 0 "[ . 1 . 2 . 3]" 1 1199 1 76 GLU QB 1 79 ALA MB 4.000 . 5.500 4.120 4.103 4.132 . 0 0 "[ . 1 . 2 . 3]" 1 1200 1 79 ALA MB 1 80 GLU H 3.000 . 3.800 1.829 1.786 2.224 0.014 2 0 "[ . 1 . 2 . 3]" 1 1201 1 79 ALA MB 1 80 GLU QG 4.000 . 5.500 2.454 2.223 2.637 . 0 0 "[ . 1 . 2 . 3]" 1 1202 1 78 LYS HB2 1 79 ALA H 4.000 . 5.000 4.324 4.056 4.620 . 0 0 "[ . 1 . 2 . 3]" 1 1203 1 79 ALA H 1 80 GLU H 2.400 . 2.700 2.639 1.872 2.720 0.020 17 0 "[ . 1 . 2 . 3]" 1 1204 1 78 LYS QD 1 79 ALA H 4.000 . 5.000 3.635 2.272 4.482 . 0 0 "[ . 1 . 2 . 3]" 1 1205 1 79 ALA H 1 80 GLU QG 4.000 . 5.000 4.016 3.678 4.145 . 0 0 "[ . 1 . 2 . 3]" 1 1206 1 77 ALA MB 1 79 ALA H 4.000 . 5.500 3.973 3.867 4.237 . 0 0 "[ . 1 . 2 . 3]" 1 1207 1 80 GLU H 1 80 GLU HA 3.000 . 3.300 2.773 2.740 2.924 . 0 0 "[ . 1 . 2 . 3]" 1 1208 1 80 GLU HA 1 80 GLU HB2 3.000 . 3.300 3.027 3.021 3.031 . 0 0 "[ . 1 . 2 . 3]" 1 1209 1 80 GLU HA 1 80 GLU QG 3.000 . 3.300 2.557 2.407 2.689 . 0 0 "[ . 1 . 2 . 3]" 1 1210 1 80 GLU HA 1 81 GLY QA 4.000 . 5.000 4.235 4.226 4.254 . 0 0 "[ . 1 . 2 . 3]" 1 1211 1 80 GLU H 1 80 GLU HB2 2.400 . 2.700 2.699 2.579 2.750 0.050 5 0 "[ . 1 . 2 . 3]" 1 1212 1 79 ALA MB 1 80 GLU HB3 4.000 . 5.500 4.743 4.712 4.785 . 0 0 "[ . 1 . 2 . 3]" 1 1213 1 80 GLU H 1 80 GLU HB3 4.000 . 5.000 3.567 3.553 3.594 . 0 0 "[ . 1 . 2 . 3]" 1 1214 1 80 GLU HA 1 80 GLU HB3 2.400 . 2.700 2.403 2.379 2.424 . 0 0 "[ . 1 . 2 . 3]" 1 1215 1 77 ALA HA 1 80 GLU HB3 4.000 . 5.000 5.004 4.858 5.083 0.083 13 0 "[ . 1 . 2 . 3]" 1 1216 1 80 GLU H 1 80 GLU QG 3.000 . 3.300 1.834 1.815 2.031 . 0 0 "[ . 1 . 2 . 3]" 1 1217 1 81 GLY QA 1 82 ALA H 3.000 . 3.300 2.775 2.731 2.801 . 0 0 "[ . 1 . 2 . 3]" 1 1218 1 77 ALA HA 1 81 GLY H 3.000 . 3.300 3.422 3.363 3.494 0.194 26 0 "[ . 1 . 2 . 3]" 1 1219 1 80 GLU HB2 1 81 GLY H 4.000 . 5.000 2.175 2.002 2.364 . 0 0 "[ . 1 . 2 . 3]" 1 1220 1 80 GLU QG 1 81 GLY H 4.000 . 5.000 3.748 3.623 3.843 . 0 0 "[ . 1 . 2 . 3]" 1 1221 1 80 GLU HA 1 81 GLY H 4.000 . 5.000 3.614 3.595 3.621 . 0 0 "[ . 1 . 2 . 3]" 1 1222 1 47 TYR QE 1 82 ALA HA 4.000 . 5.000 3.311 2.885 3.909 . 0 0 "[ . 1 . 2 . 3]" 1 1223 1 82 ALA HA 1 84 ILE MD 4.000 . 5.500 3.877 3.727 4.147 . 0 0 "[ . 1 . 2 . 3]" 1 1224 1 82 ALA HA 1 83 ASP QB 4.000 . 5.000 4.163 3.962 4.420 . 0 0 "[ . 1 . 2 . 3]" 1 1225 1 82 ALA HA 1 83 ASP H 3.000 . 3.300 2.316 2.275 2.381 . 0 0 "[ . 1 . 2 . 3]" 1 1226 1 82 ALA HA 1 82 ALA MB 2.400 . 3.200 2.109 2.102 2.117 . 0 0 "[ . 1 . 2 . 3]" 1 1227 1 82 ALA HA 1 83 ASP HA 4.000 . 5.000 4.451 4.439 4.473 . 0 0 "[ . 1 . 2 . 3]" 1 1228 1 82 ALA MB 1 84 ILE HB 3.000 . 3.800 3.209 3.193 3.245 . 0 0 "[ . 1 . 2 . 3]" 1 1229 1 82 ALA MB 1 84 ILE MD 3.000 . 4.300 1.696 1.632 1.775 0.168 19 0 "[ . 1 . 2 . 3]" 1 1230 1 78 LYS HA 1 82 ALA MB 3.000 . 3.800 2.688 2.349 3.096 . 0 0 "[ . 1 . 2 . 3]" 1 1231 1 82 ALA H 1 82 ALA MB 2.400 . 3.200 2.079 2.057 2.103 . 0 0 "[ . 1 . 2 . 3]" 1 1232 1 82 ALA MB 1 83 ASP H 3.000 . 3.800 2.770 2.623 2.875 . 0 0 "[ . 1 . 2 . 3]" 1 1233 1 82 ALA H 1 82 ALA HA 2.400 . 2.700 2.733 2.724 2.750 0.050 13 0 "[ . 1 . 2 . 3]" 1 1234 1 82 ALA H 1 84 ILE MD 4.000 . 5.500 4.516 4.308 4.606 . 0 0 "[ . 1 . 2 . 3]" 1 1235 1 77 ALA MB 1 82 ALA H 4.000 . 5.500 3.703 3.573 3.827 . 0 0 "[ . 1 . 2 . 3]" 1 1236 1 80 GLU HB3 1 82 ALA H 4.000 . 5.000 4.800 4.636 5.004 0.004 13 0 "[ . 1 . 2 . 3]" 1 1237 1 77 ALA HA 1 82 ALA H 4.000 . 5.000 3.229 3.011 3.372 . 0 0 "[ . 1 . 2 . 3]" 1 1238 1 83 ASP HA 1 84 ILE H 3.000 . 3.300 2.597 2.547 2.661 . 0 0 "[ . 1 . 2 . 3]" 1 1239 1 83 ASP H 1 83 ASP QB 3.000 . 3.300 2.347 2.269 2.489 . 0 0 "[ . 1 . 2 . 3]" 1 1240 1 49 LEU H 1 83 ASP QB 4.000 . 5.000 3.587 3.364 3.765 . 0 0 "[ . 1 . 2 . 3]" 1 1241 1 48 PRO QG 1 83 ASP QB 4.000 . 5.000 3.889 3.546 3.995 . 0 0 "[ . 1 . 2 . 3]" 1 1242 1 83 ASP H 1 84 ILE HB 4.000 . 5.000 5.025 4.942 5.062 0.062 24 0 "[ . 1 . 2 . 3]" 1 1243 1 48 PRO HA 1 83 ASP H 4.000 . 5.000 3.820 3.322 4.115 . 0 0 "[ . 1 . 2 . 3]" 1 1244 1 83 ASP H 1 84 ILE MD 4.000 . 5.500 3.720 3.552 3.980 . 0 0 "[ . 1 . 2 . 3]" 1 1245 1 82 ALA H 1 83 ASP H 4.000 . 5.000 4.678 4.669 4.693 . 0 0 "[ . 1 . 2 . 3]" 1 1246 1 47 TYR HB3 1 83 ASP H 3.000 . 3.300 2.525 2.150 2.796 . 0 0 "[ . 1 . 2 . 3]" 1 1247 1 84 ILE HA 1 84 ILE MG 3.000 . 3.800 2.470 2.438 2.522 . 0 0 "[ . 1 . 2 . 3]" 1 1248 1 84 ILE HA 1 84 ILE QG 3.000 . 3.300 2.337 2.273 2.390 . 0 0 "[ . 1 . 2 . 3]" 1 1249 1 84 ILE HA 1 85 THR H 3.000 . 3.300 2.310 2.189 2.373 . 0 0 "[ . 1 . 2 . 3]" 1 1250 1 84 ILE HA 1 84 ILE HB 3.000 . 3.300 3.028 3.020 3.032 . 0 0 "[ . 1 . 2 . 3]" 1 1251 1 47 TYR QE 1 84 ILE HA 4.000 . 5.000 4.444 4.203 4.540 . 0 0 "[ . 1 . 2 . 3]" 1 1252 1 49 LEU HA 1 84 ILE HA 4.000 . 5.000 4.350 4.179 4.522 . 0 0 "[ . 1 . 2 . 3]" 1 1253 1 78 LYS QE 1 84 ILE HB 4.000 . 5.000 4.393 3.663 4.489 . 0 0 "[ . 1 . 2 . 3]" 1 1254 1 74 PHE HA 1 84 ILE HB 4.000 . 5.000 4.739 4.442 4.957 . 0 0 "[ . 1 . 2 . 3]" 1 1255 1 78 LYS HA 1 84 ILE HB 4.000 . 5.000 3.415 3.214 3.623 . 0 0 "[ . 1 . 2 . 3]" 1 1256 1 74 PHE HB3 1 84 ILE HB 4.000 . 5.000 4.834 4.599 5.029 0.029 14 0 "[ . 1 . 2 . 3]" 1 1257 1 78 LYS HB3 1 84 ILE HB 4.000 . 5.000 2.171 1.880 2.440 . 0 0 "[ . 1 . 2 . 3]" 1 1258 1 84 ILE H 1 84 ILE HB 2.400 . 2.700 2.416 2.316 2.489 . 0 0 "[ . 1 . 2 . 3]" 1 1259 1 84 ILE HB 1 85 THR H 4.000 . 5.000 3.936 3.738 4.430 . 0 0 "[ . 1 . 2 . 3]" 1 1260 1 74 PHE HA 1 84 ILE MD 3.000 . 3.800 3.044 2.765 3.213 . 0 0 "[ . 1 . 2 . 3]" 1 1261 1 74 PHE HB3 1 84 ILE MD 4.000 . 5.500 4.234 3.938 4.537 . 0 0 "[ . 1 . 2 . 3]" 1 1262 1 74 PHE QE 1 84 ILE MD 4.000 . 5.500 3.862 3.546 4.133 . 0 0 "[ . 1 . 2 . 3]" 1 1263 1 49 LEU HB2 1 84 ILE MD 4.000 . 5.500 4.507 4.363 4.612 . 0 0 "[ . 1 . 2 . 3]" 1 1264 1 84 ILE HA 1 84 ILE MD 4.000 . 5.500 3.778 3.741 3.818 . 0 0 "[ . 1 . 2 . 3]" 1 1265 1 41 LEU MD1 1 84 ILE MD 4.000 . 6.000 3.239 2.973 3.500 . 0 0 "[ . 1 . 2 . 3]" 1 1266 1 84 ILE H 1 84 ILE MD 3.000 . 3.800 3.103 2.896 3.217 . 0 0 "[ . 1 . 2 . 3]" 1 1267 1 84 ILE HB 1 84 ILE MD 2.400 . 3.200 2.021 1.900 2.168 . 0 0 "[ . 1 . 2 . 3]" 1 1268 1 78 LYS HA 1 84 ILE MD 4.000 . 5.500 3.618 3.152 3.985 . 0 0 "[ . 1 . 2 . 3]" 1 1269 1 51 LEU MD2 1 84 ILE MG 4.000 . 6.000 3.373 3.172 3.521 . 0 0 "[ . 1 . 2 . 3]" 1 1270 1 74 PHE HB3 1 84 ILE MG 3.000 . 3.800 3.165 2.913 3.214 . 0 0 "[ . 1 . 2 . 3]" 1 1271 1 49 LEU HB2 1 84 ILE MG 4.000 . 5.500 3.971 3.801 4.115 . 0 0 "[ . 1 . 2 . 3]" 1 1272 1 84 ILE HB 1 84 ILE MG 2.400 . 3.200 2.148 2.139 2.156 . 0 0 "[ . 1 . 2 . 3]" 1 1273 1 49 LEU HB3 1 84 ILE MG 3.000 . 3.800 2.689 2.547 2.789 . 0 0 "[ . 1 . 2 . 3]" 1 1274 1 74 PHE HB2 1 84 ILE MG 4.000 . 5.500 4.611 4.360 4.644 . 0 0 "[ . 1 . 2 . 3]" 1 1275 1 74 PHE HA 1 84 ILE MG 4.000 . 5.500 3.700 3.434 3.875 . 0 0 "[ . 1 . 2 . 3]" 1 1276 1 84 ILE H 1 84 ILE MG 4.000 . 5.500 3.765 3.718 3.802 . 0 0 "[ . 1 . 2 . 3]" 1 1277 1 74 PHE QE 1 84 ILE MG 4.000 . 5.500 3.255 3.055 3.457 . 0 0 "[ . 1 . 2 . 3]" 1 1278 1 84 ILE MG 1 85 THR H 3.000 . 3.800 2.116 1.877 3.069 . 0 0 "[ . 1 . 2 . 3]" 1 1279 1 50 VAL HA 1 84 ILE MG 4.000 . 5.500 3.585 3.420 3.816 . 0 0 "[ . 1 . 2 . 3]" 1 1280 1 78 LYS HB3 1 84 ILE H 3.000 . 3.300 3.042 2.365 3.373 0.073 9 0 "[ . 1 . 2 . 3]" 1 1281 1 84 ILE H 1 84 ILE QG 3.000 . 3.300 2.751 2.617 2.906 . 0 0 "[ . 1 . 2 . 3]" 1 1282 1 83 ASP QB 1 84 ILE H 4.000 . 5.000 3.920 3.897 3.979 . 0 0 "[ . 1 . 2 . 3]" 1 1283 1 84 ILE HA 1 85 THR HA 4.000 . 5.000 4.458 4.435 4.496 . 0 0 "[ . 1 . 2 . 3]" 1 1284 1 85 THR H 1 85 THR MG 4.000 . 5.500 3.778 2.134 3.905 . 0 0 "[ . 1 . 2 . 3]" 1 1285 1 51 LEU H 1 85 THR MG 4.000 . 5.500 4.280 3.895 4.579 . 0 0 "[ . 1 . 2 . 3]" 1 1286 1 50 VAL HA 1 85 THR MG 4.000 . 5.500 3.797 2.585 4.133 . 0 0 "[ . 1 . 2 . 3]" 1 1287 1 85 THR H 1 85 THR HB 4.000 . 5.000 2.801 2.379 3.784 . 0 0 "[ . 1 . 2 . 3]" 1 1288 1 51 LEU MD2 1 86 ILE MD 3.000 . 4.300 1.761 1.705 1.823 0.095 23 0 "[ . 1 . 2 . 3]" 1 1289 1 51 LEU MD1 1 86 ILE MD 3.000 . 4.300 3.101 3.054 3.152 . 0 0 "[ . 1 . 2 . 3]" 1 1290 1 75 ARG HA 1 86 ILE MD 3.000 . 3.800 3.170 3.060 3.235 . 0 0 "[ . 1 . 2 . 3]" 1 1291 1 78 LYS QG 1 86 ILE MD 4.000 . 5.500 3.310 2.273 4.096 . 0 0 "[ . 1 . 2 . 3]" 1 1292 1 74 PHE H 1 86 ILE MD 4.000 . 5.500 4.620 4.600 4.647 . 0 0 "[ . 1 . 2 . 3]" 1 1293 1 75 ARG QG 1 86 ILE MD 4.000 . 5.500 3.414 3.128 3.629 . 0 0 "[ . 1 . 2 . 3]" 1 1294 1 86 ILE MG 1 88 LEU QB 4.000 . 5.500 3.484 2.558 4.096 . 0 0 "[ . 1 . 2 . 3]" 1 1295 1 51 LEU MD2 1 86 ILE MG 3.000 . 4.300 2.913 2.778 3.022 . 0 0 "[ . 1 . 2 . 3]" 1 1296 1 86 ILE MG 1 88 LEU MD1 3.000 . 4.300 2.137 1.753 2.624 0.047 15 0 "[ . 1 . 2 . 3]" 1 1297 1 86 ILE MG 1 88 LEU MD2 4.000 . 6.000 3.547 2.229 4.156 . 0 0 "[ . 1 . 2 . 3]" 1 1298 1 86 ILE QG 1 86 ILE MG 3.000 . 3.800 2.083 2.049 2.103 . 0 0 "[ . 1 . 2 . 3]" 1 1299 1 86 ILE MG 1 87 ILE H 4.000 . 5.500 3.190 2.766 3.483 . 0 0 "[ . 1 . 2 . 3]" 1 1300 1 86 ILE HA 1 86 ILE MG 3.000 . 3.800 2.775 2.695 2.916 . 0 0 "[ . 1 . 2 . 3]" 1 1301 1 87 ILE HB 1 87 ILE MD 3.000 . 3.800 2.579 1.896 3.192 . 0 0 "[ . 1 . 2 . 3]" 1 1302 1 86 ILE HA 1 87 ILE HB 4.000 . 5.000 4.718 4.463 5.008 0.008 20 0 "[ . 1 . 2 . 3]" 1 1303 1 87 ILE H 1 87 ILE HB 3.000 . 3.300 2.589 2.351 2.862 . 0 0 "[ . 1 . 2 . 3]" 1 1304 1 52 GLU HB3 1 87 ILE HB 4.000 . 5.000 4.799 4.714 4.943 . 0 0 "[ . 1 . 2 . 3]" 1 1305 1 87 ILE H 1 87 ILE MD 4.000 . 5.500 3.288 1.816 3.916 . 0 0 "[ . 1 . 2 . 3]" 1 1306 1 87 ILE HA 1 87 ILE MD 4.000 . 5.500 3.041 1.889 3.860 . 0 0 "[ . 1 . 2 . 3]" 1 1307 1 87 ILE QG 1 87 ILE MG 3.000 . 3.800 2.242 2.019 2.445 . 0 0 "[ . 1 . 2 . 3]" 1 1308 1 52 GLU QB 1 87 ILE MG 4.000 . 5.500 4.041 3.938 4.102 . 0 0 "[ . 1 . 2 . 3]" 1 1309 1 87 ILE MG 1 89 SER QB 4.000 . 5.500 3.335 2.312 4.089 . 0 0 "[ . 1 . 2 . 3]" 1 1310 1 52 GLU QG 1 87 ILE MG 4.000 . 5.500 3.194 2.722 4.015 . 0 0 "[ . 1 . 2 . 3]" 1 1311 1 87 ILE H 1 87 ILE MG 4.000 . 5.500 3.805 3.733 3.887 . 0 0 "[ . 1 . 2 . 3]" 1 1312 1 86 ILE HA 1 87 ILE H 4.000 . 5.000 2.178 2.136 2.246 . 0 0 "[ . 1 . 2 . 3]" 1 1313 1 51 LEU HB3 1 87 ILE H 2.400 . 2.700 2.824 2.771 2.883 0.183 15 0 "[ . 1 . 2 . 3]" 1 1314 1 88 LEU HA 1 88 LEU MD2 3.000 . 3.800 2.329 1.841 3.172 . 0 0 "[ . 1 . 2 . 3]" 1 1315 1 88 LEU HA 1 88 LEU MD1 4.000 . 5.500 3.731 3.398 3.952 . 0 0 "[ . 1 . 2 . 3]" 1 1316 1 53 TRP QB 1 88 LEU HA 4.000 . 5.000 2.499 1.843 3.416 . 0 0 "[ . 1 . 2 . 3]" 1 1317 1 88 LEU HA 1 89 SER QB 4.000 . 5.000 4.282 3.696 4.457 . 0 0 "[ . 1 . 2 . 3]" 1 1318 1 88 LEU HA 1 88 LEU HG 3.000 . 3.300 2.554 2.031 3.306 0.006 15 0 "[ . 1 . 2 . 3]" 1 1319 1 86 ILE QG 1 88 LEU MD1 4.000 . 5.500 3.769 3.260 4.085 . 0 0 "[ . 1 . 2 . 3]" 1 1320 1 71 LEU MD1 1 88 LEU MD1 3.000 . 4.300 2.710 1.843 2.994 . 0 0 "[ . 1 . 2 . 3]" 1 1321 1 88 LEU QB 1 88 LEU MD1 3.000 . 3.800 2.024 1.895 2.106 . 0 0 "[ . 1 . 2 . 3]" 1 1322 1 53 TRP QB 1 88 LEU MD2 3.000 . 3.800 2.478 1.711 2.831 0.089 15 0 "[ . 1 . 2 . 3]" 1 1323 1 88 LEU QB 1 88 LEU MD2 3.000 . 3.800 2.105 1.860 2.340 . 0 0 "[ . 1 . 2 . 3]" 1 stop_ save_ save_distance_constraint_statistics_2 _Distance_constraint_stats_list.Sf_category distance_constraint_statistics _Distance_constraint_stats_list.Constraint_list_ID 2 _Distance_constraint_stats_list.Constraint_count 50 _Distance_constraint_stats_list.Viol_count 808 _Distance_constraint_stats_list.Viol_total 1361.768 _Distance_constraint_stats_list.Viol_max 0.152 _Distance_constraint_stats_list.Viol_rms 0.0357 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0303 _Distance_constraint_stats_list.Viol_average_violations_only 0.0562 _Distance_constraint_stats_list.Cutoff_violation_report 0.500 _Distance_constraint_stats_list.Details . loop_ _Distance_constraint_stats_per_res.Atom_entity_assembly_ID _Distance_constraint_stats_per_res.Atom_comp_index_ID _Distance_constraint_stats_per_res.Atom_comp_ID _Distance_constraint_stats_per_res.Total_violation _Distance_constraint_stats_per_res.Max_violation _Distance_constraint_stats_per_res.Max_violation_model_number _Distance_constraint_stats_per_res.Over_cutoff_viol_count _Distance_constraint_stats_per_res.Over_cutoff_viol_per_model 1 1 LYS 2.418 0.106 30 0 "[ . 1 . 2 . 3]" 1 3 ALA 5.364 0.138 19 0 "[ . 1 . 2 . 3]" 1 5 ILE 3.339 0.104 27 0 "[ . 1 . 2 . 3]" 1 15 ASP 2.453 0.113 20 0 "[ . 1 . 2 . 3]" 1 16 LEU 2.582 0.152 20 0 "[ . 1 . 2 . 3]" 1 17 HIS 1.651 0.071 22 0 "[ . 1 . 2 . 3]" 1 18 GLN 2.141 0.086 29 0 "[ . 1 . 2 . 3]" 1 19 THR 4.353 0.113 20 0 "[ . 1 . 2 . 3]" 1 20 LEU 3.536 0.152 20 0 "[ . 1 . 2 . 3]" 1 21 LYS 1.651 0.071 22 0 "[ . 1 . 2 . 3]" 1 22 LYS 2.141 0.086 29 0 "[ . 1 . 2 . 3]" 1 23 GLU 1.900 0.086 9 0 "[ . 1 . 2 . 3]" 1 24 LEU 0.953 0.048 20 0 "[ . 1 . 2 . 3]" 1 35 ASP 0.859 0.049 11 0 "[ . 1 . 2 . 3]" 1 36 ALA 1.842 0.079 12 0 "[ . 1 . 2 . 3]" 1 37 LEU 0.010 0.007 17 0 "[ . 1 . 2 . 3]" 1 39 ASP 0.859 0.049 11 0 "[ . 1 . 2 . 3]" 1 40 ALA 1.842 0.079 12 0 "[ . 1 . 2 . 3]" 1 41 LEU 0.010 0.007 17 0 "[ . 1 . 2 . 3]" 1 49 LEU 3.311 0.102 30 0 "[ . 1 . 2 . 3]" 1 50 VAL 5.249 0.138 19 0 "[ . 1 . 2 . 3]" 1 51 LEU 4.974 0.117 25 0 "[ . 1 . 2 . 3]" 1 52 GLU 3.930 0.101 20 0 "[ . 1 . 2 . 3]" 1 54 ARG 1.943 0.104 27 0 "[ . 1 . 2 . 3]" 1 68 GLU 2.054 0.078 9 0 "[ . 1 . 2 . 3]" 1 69 SER 2.689 0.128 19 0 "[ . 1 . 2 . 3]" 1 70 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 71 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 72 GLN 5.662 0.150 2 0 "[ . 1 . 2 . 3]" 1 73 VAL 3.303 0.128 19 0 "[ . 1 . 2 . 3]" 1 74 PHE 2.628 0.098 2 0 "[ . 1 . 2 . 3]" 1 75 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 76 GLU 3.608 0.150 2 0 "[ . 1 . 2 . 3]" 1 77 ALA 0.614 0.049 11 0 "[ . 1 . 2 . 3]" 1 78 LYS 2.628 0.098 2 0 "[ . 1 . 2 . 3]" 1 83 ASP 2.301 0.102 30 0 "[ . 1 . 2 . 3]" 1 85 THR 3.648 0.117 25 0 "[ . 1 . 2 . 3]" 1 87 ILE 2.336 0.080 9 0 "[ . 1 . 2 . 3]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 3 ALA N 1 50 VAL O 2.800 2.700 3.000 2.660 2.562 2.794 0.138 19 0 "[ . 1 . 2 . 3]" 2 2 1 3 ALA H 1 50 VAL O 1.900 . 2.000 2.049 2.011 2.078 0.078 19 0 "[ . 1 . 2 . 3]" 2 3 1 5 ILE N 1 52 GLU O 2.800 2.700 3.000 2.962 2.882 3.023 0.023 15 0 "[ . 1 . 2 . 3]" 2 4 1 5 ILE H 1 52 GLU O 1.900 . 2.000 2.045 2.026 2.078 0.078 10 0 "[ . 1 . 2 . 3]" 2 5 1 15 ASP O 1 19 THR N 2.800 2.700 3.000 2.881 2.822 3.009 0.009 5 0 "[ . 1 . 2 . 3]" 2 6 1 15 ASP O 1 19 THR H 1.900 . 2.000 2.081 2.058 2.113 0.113 20 0 "[ . 1 . 2 . 3]" 2 7 1 16 LEU O 1 20 LEU N 2.800 2.700 3.000 2.991 2.950 3.025 0.025 27 0 "[ . 1 . 2 . 3]" 2 8 1 16 LEU O 1 20 LEU H 1.900 . 2.000 2.083 2.042 2.152 0.152 20 0 "[ . 1 . 2 . 3]" 2 9 1 17 HIS O 1 21 LYS N 2.800 2.700 3.000 2.863 2.779 2.920 . 0 0 "[ . 1 . 2 . 3]" 2 10 1 17 HIS O 1 21 LYS H 1.900 . 2.000 2.055 2.013 2.071 0.071 22 0 "[ . 1 . 2 . 3]" 2 11 1 18 GLN O 1 22 LYS N 2.800 2.700 3.000 2.726 2.673 2.806 0.027 16 0 "[ . 1 . 2 . 3]" 2 12 1 18 GLN O 1 22 LYS H 1.900 . 2.000 2.067 2.053 2.086 0.086 29 0 "[ . 1 . 2 . 3]" 2 13 1 19 THR O 1 23 GLU N 2.800 2.700 3.000 2.989 2.927 3.022 0.022 8 0 "[ . 1 . 2 . 3]" 2 14 1 19 THR O 1 23 GLU H 1.900 . 2.000 2.059 2.022 2.086 0.086 9 0 "[ . 1 . 2 . 3]" 2 15 1 20 LEU O 1 24 LEU N 2.800 2.700 3.000 2.833 2.739 2.931 . 0 0 "[ . 1 . 2 . 3]" 2 16 1 20 LEU O 1 24 LEU H 1.900 . 2.000 2.032 2.011 2.048 0.048 20 0 "[ . 1 . 2 . 3]" 2 17 1 35 ASP O 1 39 ASP N 2.800 2.700 3.000 2.865 2.824 2.897 . 0 0 "[ . 1 . 2 . 3]" 2 18 1 35 ASP O 1 39 ASP H 1.900 . 2.000 2.029 2.013 2.049 0.049 11 0 "[ . 1 . 2 . 3]" 2 19 1 36 ALA O 1 40 ALA N 2.800 2.700 3.000 2.766 2.707 2.818 . 0 0 "[ . 1 . 2 . 3]" 2 20 1 36 ALA O 1 40 ALA H 1.900 . 2.000 2.061 2.036 2.079 0.079 12 0 "[ . 1 . 2 . 3]" 2 21 1 37 LEU O 1 41 LEU N 2.800 2.700 3.000 2.756 2.693 2.813 0.007 17 0 "[ . 1 . 2 . 3]" 2 22 1 37 LEU O 1 41 LEU H 1.900 . 2.000 1.940 1.894 1.985 . 0 0 "[ . 1 . 2 . 3]" 2 23 1 49 LEU N 1 83 ASP O 2.800 2.700 3.000 2.924 2.835 2.976 . 0 0 "[ . 1 . 2 . 3]" 2 24 1 49 LEU H 1 83 ASP O 1.900 . 2.000 2.077 2.067 2.102 0.102 30 0 "[ . 1 . 2 . 3]" 2 25 1 51 LEU N 1 85 THR O 2.800 2.700 3.000 2.812 2.697 2.978 0.003 24 0 "[ . 1 . 2 . 3]" 2 26 1 51 LEU H 1 85 THR O 1.900 . 2.000 2.088 2.073 2.117 0.117 25 0 "[ . 1 . 2 . 3]" 2 27 1 1 LYS O 1 50 VAL N 2.800 2.700 3.000 2.820 2.677 2.993 0.023 28 0 "[ . 1 . 2 . 3]" 2 28 1 1 LYS O 1 50 VAL H 1.900 . 2.000 2.079 2.061 2.106 0.106 30 0 "[ . 1 . 2 . 3]" 2 29 1 3 ALA O 1 52 GLU N 2.800 2.700 3.000 2.798 2.711 2.868 . 0 0 "[ . 1 . 2 . 3]" 2 30 1 3 ALA O 1 52 GLU H 1.900 . 2.000 2.084 2.063 2.101 0.101 20 0 "[ . 1 . 2 . 3]" 2 31 1 5 ILE O 1 54 ARG N 2.800 2.700 3.000 2.777 2.596 2.953 0.104 27 0 "[ . 1 . 2 . 3]" 2 32 1 5 ILE O 1 54 ARG H 1.900 . 2.000 2.055 2.013 2.092 0.092 17 0 "[ . 1 . 2 . 3]" 2 33 1 68 GLU O 1 72 GLN N 2.800 2.700 3.000 2.915 2.768 3.019 0.019 11 0 "[ . 1 . 2 . 3]" 2 34 1 68 GLU O 1 72 GLN H 1.900 . 2.000 2.068 2.050 2.078 0.078 9 0 "[ . 1 . 2 . 3]" 2 35 1 69 SER O 1 73 VAL N 2.800 2.700 3.000 2.997 2.932 3.048 0.048 14 0 "[ . 1 . 2 . 3]" 2 36 1 69 SER O 1 73 VAL H 1.900 . 2.000 2.081 2.052 2.128 0.128 19 0 "[ . 1 . 2 . 3]" 2 37 1 70 VAL O 1 74 PHE N 2.800 2.700 3.000 2.852 2.777 2.910 . 0 0 "[ . 1 . 2 . 3]" 2 38 1 70 VAL O 1 74 PHE H 1.900 . 2.000 1.930 1.852 1.993 . 0 0 "[ . 1 . 2 . 3]" 2 39 1 71 LEU O 1 75 ARG N 2.800 2.700 3.000 2.884 2.785 2.938 . 0 0 "[ . 1 . 2 . 3]" 2 40 1 71 LEU O 1 75 ARG H 1.900 . 2.000 1.962 1.920 1.991 . 0 0 "[ . 1 . 2 . 3]" 2 41 1 72 GLN O 1 76 GLU N 2.800 2.700 3.000 2.929 2.870 3.023 0.023 2 0 "[ . 1 . 2 . 3]" 2 42 1 72 GLN O 1 76 GLU H 1.900 . 2.000 2.120 2.076 2.150 0.150 2 0 "[ . 1 . 2 . 3]" 2 43 1 73 VAL O 1 77 ALA N 2.800 2.700 3.000 2.776 2.657 2.877 0.043 22 0 "[ . 1 . 2 . 3]" 2 44 1 73 VAL O 1 77 ALA H 1.900 . 2.000 2.016 1.968 2.049 0.049 11 0 "[ . 1 . 2 . 3]" 2 45 1 74 PHE O 1 78 LYS N 2.800 2.700 3.000 3.017 2.985 3.048 0.048 16 0 "[ . 1 . 2 . 3]" 2 46 1 74 PHE O 1 78 LYS H 1.900 . 2.000 2.068 2.047 2.098 0.098 2 0 "[ . 1 . 2 . 3]" 2 47 1 49 LEU O 1 85 THR N 2.800 2.700 3.000 2.783 2.674 2.932 0.026 21 0 "[ . 1 . 2 . 3]" 2 48 1 49 LEU O 1 85 THR H 1.900 . 2.000 2.031 2.009 2.055 0.055 23 0 "[ . 1 . 2 . 3]" 2 49 1 51 LEU O 1 87 ILE N 2.800 2.700 3.000 3.015 2.960 3.057 0.057 13 0 "[ . 1 . 2 . 3]" 2 50 1 51 LEU O 1 87 ILE H 1.900 . 2.000 2.059 2.032 2.080 0.080 9 0 "[ . 1 . 2 . 3]" 2 stop_ save_
Contact the webmaster for help, if required. Tuesday, May 21, 2024 5:00:36 PM GMT (wattos1)