NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
606547 | 2ncp | 26724 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2ncp 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 1628 _Distance_constraint_stats_list.Viol_count 752 _Distance_constraint_stats_list.Viol_total 172.836 _Distance_constraint_stats_list.Viol_max 0.233 _Distance_constraint_stats_list.Viol_rms 0.0041 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0003 _Distance_constraint_stats_list.Viol_average_violations_only 0.0115 _Distance_constraint_stats_list.Cutoff_violation_report 0.500 _Distance_constraint_stats_list.Details ; Description of the tags in this list: * 1 * Administrative tag * 2 * Administrative tag * 3 * Administrative tag * 4 * ID of the restraint list. * 5 * Number of restraints in list. * 6 * Number of violated restraints (each model violation is used). * 7 * Sum of violations in Angstrom. * 8 * Maximum violation of a restraint without averaging in any way. * 9 * Rms of violations over all restraints. * 10 * Average violation over all restraints. * 11 * Average violation over violated restraints. This violation is averaged over only those models in which the restraint is violated. These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998). * 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table. * 13 * This tag Description of the tags in the per residue table below: * 1 * Chain identifier (can be absent if none defined) * 2 * Residue number * 3 * Residue name * 4 * Maximum violation in ensemble of models (without any averaging) * 5 * Model number with the maximum violation * 6 * Number of models with a violation above cutoff * 7 * List of models (1 character per model) with a violation above cutoff. An '*' marks a violation above the cutoff. A '+' indicates the largest violation above the cutoff and a '-' marks the smallest violation over cutoff. For models 5, 15, 25,... a ' ' is replaced by a '.'. For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1. * 8 * Administrative tag * 9 * Administrative tag Description of the tags in the per restraint table below: * 1 * Restraint ID within restraint list. First node, FIRST member, first atom's: * 2 * Chain identifier (can be absent if none defined) * 3 * Residue number * 4 * Residue name * 5 * Name of (pseudo-)atom First node, SECOND member, first atom's: * 6 * Chain identifier (can be absent if none defined) * 7 * Residue number * 8 * Residue name * 9 * Name of (pseudo-)atom FIRST node's: * 10 * Target distance value (Angstrom) * 11 * Lower bound distance (Angstrom) * 12 * Upper bound distance (Angstrom) * 13 * Average distance in ensemble of models * 14 * Minimum distance in ensemble of models * 15 * Maximum distance in ensemble of models * 16 * Maximum violation (without any averaging) * 17 * Model number with the maximum violation * 18 * Number of models with a violation above cutoff * 19 * List of models with a violation above cutoff. See description above. * 20 * Administrative tag * 21 * Administrative tag ; loop_ _Distance_constraint_stats_per_res.Atom_entity_assembly_ID _Distance_constraint_stats_per_res.Atom_comp_index_ID _Distance_constraint_stats_per_res.Atom_comp_ID _Distance_constraint_stats_per_res.Total_violation _Distance_constraint_stats_per_res.Max_violation _Distance_constraint_stats_per_res.Max_violation_model_number _Distance_constraint_stats_per_res.Over_cutoff_viol_count _Distance_constraint_stats_per_res.Over_cutoff_viol_per_model 1 2 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 3 LYS 0.526 0.193 11 0 "[ . 1 . 2]" 1 4 PRO 0.530 0.193 11 0 "[ . 1 . 2]" 1 5 LYS 0.044 0.014 14 0 "[ . 1 . 2]" 1 6 TYR 1.299 0.079 14 0 "[ . 1 . 2]" 1 7 ASN 0.000 0.000 . 0 "[ . 1 . 2]" 1 8 PRO 0.000 0.000 . 0 "[ . 1 . 2]" 1 9 GLU 0.000 0.000 . 0 "[ . 1 . 2]" 1 10 VAL 2.479 0.071 14 0 "[ . 1 . 2]" 1 11 GLU 2.079 0.071 14 0 "[ . 1 . 2]" 1 12 ALA 0.009 0.004 10 0 "[ . 1 . 2]" 1 13 LYS 0.066 0.011 10 0 "[ . 1 . 2]" 1 14 LEU 0.044 0.016 13 0 "[ . 1 . 2]" 1 15 ASP 0.059 0.047 18 0 "[ . 1 . 2]" 1 16 VAL 0.225 0.036 6 0 "[ . 1 . 2]" 1 17 ALA 0.170 0.019 18 0 "[ . 1 . 2]" 1 18 ARG 0.354 0.233 18 0 "[ . 1 . 2]" 1 19 ARG 0.242 0.036 6 0 "[ . 1 . 2]" 1 20 LEU 0.288 0.019 18 0 "[ . 1 . 2]" 1 21 PHE 0.110 0.053 17 0 "[ . 1 . 2]" 1 22 LYS 0.001 0.001 11 0 "[ . 1 . 2]" 1 23 ARG 0.012 0.003 10 0 "[ . 1 . 2]" 1 24 TYR 0.128 0.013 18 0 "[ . 1 . 2]" 1 25 ASP 0.010 0.004 17 0 "[ . 1 . 2]" 1 26 LYS 0.011 0.005 18 0 "[ . 1 . 2]" 1 27 ASP 0.005 0.005 18 0 "[ . 1 . 2]" 1 28 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 29 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 30 GLY 0.003 0.003 17 0 "[ . 1 . 2]" 1 31 GLN 0.192 0.071 17 0 "[ . 1 . 2]" 1 32 LEU 0.195 0.053 17 0 "[ . 1 . 2]" 1 33 GLN 0.021 0.004 18 0 "[ . 1 . 2]" 1 34 ASP 0.001 0.000 16 0 "[ . 1 . 2]" 1 35 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 36 GLU 0.010 0.005 18 0 "[ . 1 . 2]" 1 37 ILE 0.041 0.028 17 0 "[ . 1 . 2]" 1 38 ALA 0.020 0.005 17 0 "[ . 1 . 2]" 1 39 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 40 LEU 0.032 0.010 12 0 "[ . 1 . 2]" 1 41 LEU 0.168 0.014 17 0 "[ . 1 . 2]" 1 42 LYS 0.033 0.011 17 0 "[ . 1 . 2]" 1 43 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 44 THR 0.010 0.006 12 0 "[ . 1 . 2]" 1 45 TYR 0.101 0.011 17 0 "[ . 1 . 2]" 1 46 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 47 GLU 0.002 0.002 15 0 "[ . 1 . 2]" 1 48 MET 0.026 0.006 11 0 "[ . 1 . 2]" 1 49 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 50 MET 0.007 0.006 17 0 "[ . 1 . 2]" 1 51 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 52 ASN 0.213 0.158 10 0 "[ . 1 . 2]" 1 53 PHE 0.011 0.003 17 0 "[ . 1 . 2]" 1 54 THR 0.003 0.003 20 0 "[ . 1 . 2]" 1 55 PRO 0.040 0.005 17 0 "[ . 1 . 2]" 1 56 THR 0.002 0.002 15 0 "[ . 1 . 2]" 1 57 LYS 0.000 0.000 11 0 "[ . 1 . 2]" 1 58 GLU 0.000 0.000 . 0 "[ . 1 . 2]" 1 59 ASP 0.093 0.016 16 0 "[ . 1 . 2]" 1 60 VAL 0.068 0.010 18 0 "[ . 1 . 2]" 1 61 LYS 0.138 0.135 13 0 "[ . 1 . 2]" 1 62 ILE 0.129 0.019 13 0 "[ . 1 . 2]" 1 63 TRP 0.134 0.013 15 0 "[ . 1 . 2]" 1 64 LEU 0.115 0.106 12 0 "[ . 1 . 2]" 1 65 GLN 0.126 0.107 12 0 "[ . 1 . 2]" 1 66 MET 0.009 0.003 12 0 "[ . 1 . 2]" 1 67 ALA 0.027 0.009 15 0 "[ . 1 . 2]" 1 68 ASP 0.348 0.107 12 0 "[ . 1 . 2]" 1 69 THR 0.042 0.018 8 0 "[ . 1 . 2]" 1 70 ASN 0.041 0.036 12 0 "[ . 1 . 2]" 1 71 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 72 ASP 0.002 0.002 4 0 "[ . 1 . 2]" 1 73 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 74 SER 0.121 0.039 17 0 "[ . 1 . 2]" 1 75 VAL 0.105 0.025 17 0 "[ . 1 . 2]" 1 76 SER 0.101 0.071 17 0 "[ . 1 . 2]" 1 77 LEU 0.033 0.007 16 0 "[ . 1 . 2]" 1 78 GLU 0.028 0.017 5 0 "[ . 1 . 2]" 1 79 GLU 0.073 0.018 8 0 "[ . 1 . 2]" 1 80 TYR 0.149 0.027 8 0 "[ . 1 . 2]" 1 81 GLU 0.179 0.047 15 0 "[ . 1 . 2]" 1 82 ASP 0.121 0.047 15 0 "[ . 1 . 2]" 1 83 LEU 0.071 0.027 8 0 "[ . 1 . 2]" 1 84 ILE 0.257 0.024 13 0 "[ . 1 . 2]" 1 85 ILE 0.198 0.061 15 0 "[ . 1 . 2]" 1 86 LYS 0.047 0.026 20 0 "[ . 1 . 2]" 1 87 SER 0.000 0.000 12 0 "[ . 1 . 2]" 1 88 LEU 0.145 0.130 20 0 "[ . 1 . 2]" 1 89 GLN 0.172 0.053 17 0 "[ . 1 . 2]" 1 90 LYS 0.036 0.021 10 0 "[ . 1 . 2]" 1 91 ALA 0.000 0.000 12 0 "[ . 1 . 2]" 1 92 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 93 ILE 0.412 0.172 20 0 "[ . 1 . 2]" 1 94 ARG 0.816 0.214 16 0 "[ . 1 . 2]" 1 95 VAL 0.466 0.061 15 0 "[ . 1 . 2]" 1 96 GLU 0.634 0.079 14 0 "[ . 1 . 2]" 1 97 LYS 0.313 0.050 14 0 "[ . 1 . 2]" 1 98 GLN 0.045 0.017 14 0 "[ . 1 . 2]" 1 99 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 100 LEU 0.003 0.003 8 0 "[ . 1 . 2]" 1 101 VAL 0.003 0.003 8 0 "[ . 1 . 2]" 1 102 PHE 0.000 0.000 . 0 "[ . 1 . 2]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 2 SER HA 1 3 LYS H . . 3.170 2.332 2.137 2.762 . 0 0 "[ . 1 . 2]" 1 2 1 2 SER QB 1 3 LYS H . . 4.340 3.119 2.131 3.907 . 0 0 "[ . 1 . 2]" 1 3 1 3 LYS H 1 3 LYS QB . . 3.320 2.549 2.168 3.122 . 0 0 "[ . 1 . 2]" 1 4 1 3 LYS H 1 3 LYS QG . . 4.430 3.053 1.935 4.085 . 0 0 "[ . 1 . 2]" 1 5 1 3 LYS H 1 4 PRO QD . . 4.900 4.269 3.391 4.376 . 0 0 "[ . 1 . 2]" 1 6 1 3 LYS HA 1 3 LYS QD . . 4.090 3.691 2.603 4.097 0.007 12 0 "[ . 1 . 2]" 1 7 1 3 LYS HA 1 3 LYS QG . . 3.490 2.604 2.084 3.436 . 0 0 "[ . 1 . 2]" 1 8 1 3 LYS HA 1 4 PRO HD2 . . 2.900 2.417 1.998 2.524 . 0 0 "[ . 1 . 2]" 1 9 1 3 LYS HA 1 4 PRO HD3 . . 2.900 2.377 2.254 2.785 . 0 0 "[ . 1 . 2]" 1 10 1 3 LYS HA 1 4 PRO QG . . 4.450 4.025 3.855 4.083 . 0 0 "[ . 1 . 2]" 1 11 1 3 LYS QB 1 4 PRO QD . . 3.560 2.244 1.930 3.753 0.193 11 0 "[ . 1 . 2]" 1 12 1 3 LYS QG 1 4 PRO QG . . 5.180 4.388 3.067 5.220 0.040 9 0 "[ . 1 . 2]" 1 13 1 4 PRO HA 1 5 LYS H . . 3.010 2.314 2.152 2.632 . 0 0 "[ . 1 . 2]" 1 14 1 4 PRO HB2 1 6 TYR HA . . 5.500 5.164 4.913 5.510 0.010 13 0 "[ . 1 . 2]" 1 15 1 4 PRO HB2 1 6 TYR QD . . 4.000 2.964 2.629 3.919 . 0 0 "[ . 1 . 2]" 1 16 1 4 PRO HB2 1 6 TYR QE . . 4.530 2.784 2.380 3.347 . 0 0 "[ . 1 . 2]" 1 17 1 4 PRO HB3 1 5 LYS H . . 4.240 3.646 3.213 4.140 . 0 0 "[ . 1 . 2]" 1 18 1 4 PRO QG 1 6 TYR QE . . 4.180 3.320 1.991 4.122 . 0 0 "[ . 1 . 2]" 1 19 1 5 LYS H 1 5 LYS HB2 . . 3.160 2.406 2.184 2.722 . 0 0 "[ . 1 . 2]" 1 20 1 5 LYS H 1 5 LYS HG2 . . 5.270 3.965 2.652 4.746 . 0 0 "[ . 1 . 2]" 1 21 1 5 LYS H 1 5 LYS QG . . 4.550 3.460 2.563 4.147 . 0 0 "[ . 1 . 2]" 1 22 1 5 LYS H 1 5 LYS HG3 . . 5.270 3.942 2.698 4.833 . 0 0 "[ . 1 . 2]" 1 23 1 5 LYS H 1 6 TYR H . . 4.550 4.278 3.998 4.543 . 0 0 "[ . 1 . 2]" 1 24 1 5 LYS HA 1 5 LYS QD . . 3.650 2.896 1.994 3.646 . 0 0 "[ . 1 . 2]" 1 25 1 5 LYS HA 1 5 LYS HG2 . . 3.730 3.023 2.234 3.680 . 0 0 "[ . 1 . 2]" 1 26 1 5 LYS HA 1 5 LYS HG3 . . 3.730 2.982 2.163 3.743 0.013 13 0 "[ . 1 . 2]" 1 27 1 5 LYS HA 1 6 TYR QD . . 4.460 4.039 3.317 4.472 0.012 13 0 "[ . 1 . 2]" 1 28 1 5 LYS HB2 1 5 LYS QE . . 4.490 3.445 2.061 4.489 . 0 0 "[ . 1 . 2]" 1 29 1 5 LYS HB2 1 6 TYR H . . 5.020 4.476 4.057 4.576 . 0 0 "[ . 1 . 2]" 1 30 1 5 LYS HB2 1 6 TYR QD . . 5.500 5.177 4.887 5.514 0.014 14 0 "[ . 1 . 2]" 1 31 1 5 LYS HB3 1 5 LYS QE . . 4.400 3.656 2.598 4.386 . 0 0 "[ . 1 . 2]" 1 32 1 5 LYS HB3 1 6 TYR H . . 4.340 3.832 3.084 4.222 . 0 0 "[ . 1 . 2]" 1 33 1 5 LYS HB3 1 6 TYR HA . . 4.790 4.620 4.446 4.784 . 0 0 "[ . 1 . 2]" 1 34 1 5 LYS QD 1 5 LYS QG . . 2.350 2.053 2.018 2.092 . 0 0 "[ . 1 . 2]" 1 35 1 5 LYS QE 1 5 LYS QG . . 2.940 2.206 2.039 2.488 . 0 0 "[ . 1 . 2]" 1 36 1 6 TYR H 1 6 TYR QD . . 4.340 3.121 2.802 3.700 . 0 0 "[ . 1 . 2]" 1 37 1 6 TYR HA 1 6 TYR QD . . 3.100 2.379 2.021 2.701 . 0 0 "[ . 1 . 2]" 1 38 1 6 TYR HA 1 6 TYR QE . . 4.350 4.290 4.167 4.427 0.077 11 0 "[ . 1 . 2]" 1 39 1 6 TYR HA 1 10 VAL HB . . 5.190 4.635 4.430 4.989 . 0 0 "[ . 1 . 2]" 1 40 1 6 TYR HA 1 10 VAL MG1 . . 4.990 4.742 4.554 5.012 0.022 11 0 "[ . 1 . 2]" 1 41 1 6 TYR HA 1 10 VAL MG2 . . 5.500 3.797 3.680 4.223 . 0 0 "[ . 1 . 2]" 1 42 1 6 TYR HA 1 95 VAL QG . . 5.160 3.218 2.801 4.654 . 0 0 "[ . 1 . 2]" 1 43 1 6 TYR HA 1 96 GLU HA . . 5.330 5.204 4.888 5.344 0.014 10 0 "[ . 1 . 2]" 1 44 1 6 TYR HA 1 96 GLU QG . . 4.090 3.269 1.980 4.110 0.020 2 0 "[ . 1 . 2]" 1 45 1 6 TYR QB 1 10 VAL MG1 . . 3.700 3.195 2.653 3.365 . 0 0 "[ . 1 . 2]" 1 46 1 6 TYR QB 1 10 VAL MG2 . . 4.050 3.038 2.016 3.207 . 0 0 "[ . 1 . 2]" 1 47 1 6 TYR HB2 1 7 ASN H . . 4.480 4.182 3.567 4.385 . 0 0 "[ . 1 . 2]" 1 48 1 6 TYR HB2 1 10 VAL HB . . 4.150 4.021 2.637 4.177 0.027 14 0 "[ . 1 . 2]" 1 49 1 6 TYR HB2 1 10 VAL MG2 . . 4.680 4.523 3.112 4.700 0.020 2 0 "[ . 1 . 2]" 1 50 1 6 TYR HB3 1 7 ASN H . . 4.480 3.014 2.424 3.341 . 0 0 "[ . 1 . 2]" 1 51 1 6 TYR HB3 1 10 VAL HB . . 4.150 2.505 2.288 2.851 . 0 0 "[ . 1 . 2]" 1 52 1 6 TYR HB3 1 10 VAL MG2 . . 4.680 3.087 2.042 3.264 . 0 0 "[ . 1 . 2]" 1 53 1 6 TYR QD 1 7 ASN H . . 4.860 4.040 3.427 4.218 . 0 0 "[ . 1 . 2]" 1 54 1 6 TYR QD 1 10 VAL HB . . 3.840 2.811 2.567 3.668 . 0 0 "[ . 1 . 2]" 1 55 1 6 TYR QD 1 10 VAL MG1 . . 3.390 2.056 1.930 2.815 . 0 0 "[ . 1 . 2]" 1 56 1 6 TYR QD 1 10 VAL MG2 . . 3.790 3.357 2.776 3.814 0.024 10 0 "[ . 1 . 2]" 1 57 1 6 TYR QD 1 11 GLU QB . . 5.340 4.732 4.084 5.345 0.005 13 0 "[ . 1 . 2]" 1 58 1 6 TYR QD 1 14 LEU MD1 . . 4.760 2.738 2.128 3.269 . 0 0 "[ . 1 . 2]" 1 59 1 6 TYR QD 1 14 LEU QD . . 3.320 2.715 2.122 3.215 . 0 0 "[ . 1 . 2]" 1 60 1 6 TYR QD 1 14 LEU MD2 . . 4.760 4.586 4.143 4.761 0.001 4 0 "[ . 1 . 2]" 1 61 1 6 TYR QD 1 14 LEU HG . . 5.500 4.795 4.233 5.516 0.016 13 0 "[ . 1 . 2]" 1 62 1 6 TYR QD 1 85 ILE MD . . 3.790 3.073 2.685 3.568 . 0 0 "[ . 1 . 2]" 1 63 1 6 TYR QD 1 85 ILE MG . . 5.500 4.331 3.811 4.998 . 0 0 "[ . 1 . 2]" 1 64 1 6 TYR QD 1 95 VAL QG . . 3.040 2.632 1.992 3.014 . 0 0 "[ . 1 . 2]" 1 65 1 6 TYR QD 1 96 GLU H . . 5.500 4.085 3.117 4.471 . 0 0 "[ . 1 . 2]" 1 66 1 6 TYR QD 1 96 GLU HA . . 5.500 5.444 4.648 5.552 0.052 15 0 "[ . 1 . 2]" 1 67 1 6 TYR QD 1 96 GLU QB . . 5.340 4.527 3.228 5.371 0.031 4 0 "[ . 1 . 2]" 1 68 1 6 TYR QD 1 96 GLU QG . . 4.770 3.997 2.137 4.849 0.079 14 0 "[ . 1 . 2]" 1 69 1 6 TYR QD 1 97 LYS HA . . 4.240 3.635 3.049 4.290 0.050 14 0 "[ . 1 . 2]" 1 70 1 6 TYR QD 1 97 LYS HB2 . . 4.210 4.133 3.955 4.220 0.010 4 0 "[ . 1 . 2]" 1 71 1 6 TYR QD 1 97 LYS QG . . 5.340 4.782 4.083 5.372 0.032 14 0 "[ . 1 . 2]" 1 72 1 6 TYR QE 1 10 VAL MG1 . . 4.220 2.933 2.589 4.205 . 0 0 "[ . 1 . 2]" 1 73 1 6 TYR QE 1 14 LEU MD1 . . 4.640 3.369 2.737 4.104 . 0 0 "[ . 1 . 2]" 1 74 1 6 TYR QE 1 14 LEU QD . . 3.840 3.253 2.703 3.846 0.006 11 0 "[ . 1 . 2]" 1 75 1 6 TYR QE 1 14 LEU MD2 . . 4.640 4.358 3.907 4.644 0.004 11 0 "[ . 1 . 2]" 1 76 1 6 TYR QE 1 85 ILE MD . . 3.350 2.132 1.946 3.344 . 0 0 "[ . 1 . 2]" 1 77 1 6 TYR QE 1 85 ILE QG . . 4.300 2.884 1.997 3.811 . 0 0 "[ . 1 . 2]" 1 78 1 6 TYR QE 1 85 ILE MG . . 3.430 2.758 2.004 3.437 0.007 15 0 "[ . 1 . 2]" 1 79 1 6 TYR QE 1 95 VAL QG . . 3.000 2.546 2.392 3.004 0.004 10 0 "[ . 1 . 2]" 1 80 1 6 TYR QE 1 96 GLU HA . . 5.500 5.390 5.150 5.568 0.068 14 0 "[ . 1 . 2]" 1 81 1 6 TYR QE 1 97 LYS HA . . 4.190 2.510 1.998 3.364 . 0 0 "[ . 1 . 2]" 1 82 1 6 TYR QE 1 97 LYS HB2 . . 3.530 2.215 1.996 2.973 . 0 0 "[ . 1 . 2]" 1 83 1 6 TYR QE 1 97 LYS HB3 . . 4.730 3.572 1.990 4.261 . 0 0 "[ . 1 . 2]" 1 84 1 6 TYR QE 1 97 LYS QD . . 4.760 3.815 1.930 4.778 0.018 11 0 "[ . 1 . 2]" 1 85 1 6 TYR QE 1 97 LYS QE . . 4.560 4.135 2.252 4.564 0.004 18 0 "[ . 1 . 2]" 1 86 1 6 TYR QE 1 97 LYS HG2 . . 4.530 3.146 2.108 3.977 . 0 0 "[ . 1 . 2]" 1 87 1 6 TYR QE 1 97 LYS QG . . 3.820 2.890 2.084 3.743 . 0 0 "[ . 1 . 2]" 1 88 1 6 TYR QE 1 97 LYS HG3 . . 4.530 3.477 2.433 4.565 0.035 4 0 "[ . 1 . 2]" 1 89 1 7 ASN H 1 7 ASN QD . . 5.340 4.059 2.608 4.674 . 0 0 "[ . 1 . 2]" 1 90 1 7 ASN H 1 10 VAL HB . . 4.580 3.853 3.503 4.130 . 0 0 "[ . 1 . 2]" 1 91 1 7 ASN HA 1 8 PRO HB3 . . 4.980 4.870 4.868 4.876 . 0 0 "[ . 1 . 2]" 1 92 1 7 ASN HA 1 8 PRO HD2 . . 3.150 2.513 2.507 2.535 . 0 0 "[ . 1 . 2]" 1 93 1 7 ASN HA 1 8 PRO HG2 . . 4.790 4.605 4.600 4.624 . 0 0 "[ . 1 . 2]" 1 94 1 7 ASN HA 1 8 PRO QG . . 4.200 4.075 4.071 4.090 . 0 0 "[ . 1 . 2]" 1 95 1 7 ASN HA 1 8 PRO HG3 . . 4.790 4.544 4.540 4.559 . 0 0 "[ . 1 . 2]" 1 96 1 7 ASN QB 1 8 PRO QG . . 4.130 3.526 3.459 3.642 . 0 0 "[ . 1 . 2]" 1 97 1 7 ASN QB 1 9 GLU QB . . 4.250 3.041 2.827 3.783 . 0 0 "[ . 1 . 2]" 1 98 1 7 ASN HB2 1 8 PRO HD2 . . 3.680 3.614 3.567 3.646 . 0 0 "[ . 1 . 2]" 1 99 1 7 ASN HB2 1 10 VAL HB . . 5.500 4.231 4.073 4.484 . 0 0 "[ . 1 . 2]" 1 100 1 7 ASN HB3 1 8 PRO HD2 . . 3.680 2.104 1.983 2.297 . 0 0 "[ . 1 . 2]" 1 101 1 7 ASN HB3 1 10 VAL HB . . 5.500 4.918 4.450 5.198 . 0 0 "[ . 1 . 2]" 1 102 1 8 PRO HA 1 11 GLU H . . 4.180 3.954 3.722 4.031 . 0 0 "[ . 1 . 2]" 1 103 1 9 GLU H 1 9 GLU QB . . 3.570 2.368 2.188 2.718 . 0 0 "[ . 1 . 2]" 1 104 1 9 GLU H 1 9 GLU QG . . 4.560 2.850 1.932 4.071 . 0 0 "[ . 1 . 2]" 1 105 1 9 GLU H 1 10 VAL H . . 4.250 2.364 2.340 2.466 . 0 0 "[ . 1 . 2]" 1 106 1 9 GLU HA 1 9 GLU QG . . 3.680 2.642 2.268 3.333 . 0 0 "[ . 1 . 2]" 1 107 1 9 GLU HA 1 12 ALA MB . . 3.340 2.629 2.471 2.900 . 0 0 "[ . 1 . 2]" 1 108 1 10 VAL H 1 10 VAL HB . . 4.170 2.749 2.738 2.780 . 0 0 "[ . 1 . 2]" 1 109 1 10 VAL H 1 10 VAL MG2 . . 4.630 1.993 1.912 2.111 . 0 0 "[ . 1 . 2]" 1 110 1 10 VAL H 1 11 GLU H . . 3.830 2.695 2.488 2.760 . 0 0 "[ . 1 . 2]" 1 111 1 10 VAL HA 1 10 VAL MG1 . . 3.320 2.203 2.107 2.303 . 0 0 "[ . 1 . 2]" 1 112 1 10 VAL HA 1 10 VAL MG2 . . 3.090 2.518 2.491 2.570 . 0 0 "[ . 1 . 2]" 1 113 1 10 VAL HA 1 12 ALA MB . . 5.260 4.436 4.329 4.493 . 0 0 "[ . 1 . 2]" 1 114 1 10 VAL HA 1 13 LYS H . . 4.440 3.680 3.519 3.744 . 0 0 "[ . 1 . 2]" 1 115 1 10 VAL HA 1 13 LYS QB . . 3.920 3.595 3.350 3.763 . 0 0 "[ . 1 . 2]" 1 116 1 10 VAL HA 1 14 LEU QD . . 5.440 4.103 3.526 4.529 . 0 0 "[ . 1 . 2]" 1 117 1 10 VAL HA 1 14 LEU HG . . 5.190 4.231 3.719 4.596 . 0 0 "[ . 1 . 2]" 1 118 1 10 VAL HA 1 84 ILE MG . . 5.500 5.256 4.611 5.507 0.007 10 0 "[ . 1 . 2]" 1 119 1 10 VAL HA 1 88 LEU QD . . 3.760 2.325 1.885 2.897 . 0 0 "[ . 1 . 2]" 1 120 1 10 VAL HA 1 95 VAL MG1 . . 5.500 5.177 4.271 5.511 0.011 2 0 "[ . 1 . 2]" 1 121 1 10 VAL HA 1 95 VAL QG . . 4.740 4.139 3.271 4.577 . 0 0 "[ . 1 . 2]" 1 122 1 10 VAL HA 1 95 VAL MG2 . . 5.500 4.360 3.397 4.895 . 0 0 "[ . 1 . 2]" 1 123 1 10 VAL HB 1 11 GLU H . . 3.720 2.096 2.051 2.343 . 0 0 "[ . 1 . 2]" 1 124 1 10 VAL HB 1 11 GLU HA . . 3.910 3.918 3.887 3.939 0.029 14 0 "[ . 1 . 2]" 1 125 1 10 VAL HB 1 14 LEU QD . . 4.440 3.352 2.506 3.829 . 0 0 "[ . 1 . 2]" 1 126 1 10 VAL MG1 1 11 GLU H . . 4.280 3.419 3.340 3.667 . 0 0 "[ . 1 . 2]" 1 127 1 10 VAL MG1 1 11 GLU HA . . 4.500 3.792 3.682 4.019 . 0 0 "[ . 1 . 2]" 1 128 1 10 VAL MG1 1 13 LYS QB . . 5.070 3.968 3.738 4.227 . 0 0 "[ . 1 . 2]" 1 129 1 10 VAL MG1 1 14 LEU QD . . 3.080 2.191 1.814 2.707 . 0 0 "[ . 1 . 2]" 1 130 1 10 VAL MG1 1 14 LEU HG . . 4.070 2.869 2.128 3.369 . 0 0 "[ . 1 . 2]" 1 131 1 10 VAL MG1 1 85 ILE MD . . 3.300 2.206 1.855 2.826 . 0 0 "[ . 1 . 2]" 1 132 1 10 VAL MG1 1 88 LEU QD . . 3.610 2.260 1.806 3.434 . 0 0 "[ . 1 . 2]" 1 133 1 10 VAL MG1 1 95 VAL HA . . 4.210 3.872 3.476 4.211 0.001 15 0 "[ . 1 . 2]" 1 134 1 10 VAL MG1 1 95 VAL HB . . 4.000 3.059 2.065 4.029 0.029 10 0 "[ . 1 . 2]" 1 135 1 10 VAL MG1 1 95 VAL QG . . 3.330 1.873 1.743 2.108 . 0 0 "[ . 1 . 2]" 1 136 1 10 VAL MG2 1 11 GLU HA . . 5.180 5.240 5.204 5.251 0.071 14 0 "[ . 1 . 2]" 1 137 1 10 VAL MG2 1 11 GLU QB . . 4.610 4.645 4.619 4.671 0.061 13 0 "[ . 1 . 2]" 1 138 1 10 VAL MG2 1 13 LYS H . . 5.500 5.470 5.373 5.511 0.011 10 0 "[ . 1 . 2]" 1 139 1 10 VAL MG2 1 85 ILE MD . . 4.810 4.101 3.634 4.804 . 0 0 "[ . 1 . 2]" 1 140 1 10 VAL MG2 1 88 LEU QD . . 3.720 3.331 2.491 3.697 . 0 0 "[ . 1 . 2]" 1 141 1 10 VAL MG2 1 93 ILE HA . . 5.500 5.093 4.619 5.515 0.015 14 0 "[ . 1 . 2]" 1 142 1 10 VAL MG2 1 93 ILE HB . . 4.970 4.249 3.741 4.748 . 0 0 "[ . 1 . 2]" 1 143 1 10 VAL MG2 1 93 ILE MG . . 2.920 2.244 1.888 2.747 . 0 0 "[ . 1 . 2]" 1 144 1 10 VAL MG2 1 95 VAL HA . . 3.150 2.257 1.923 2.711 . 0 0 "[ . 1 . 2]" 1 145 1 10 VAL MG2 1 95 VAL HB . . 3.940 2.768 1.887 3.948 0.008 14 0 "[ . 1 . 2]" 1 146 1 10 VAL MG2 1 95 VAL MG1 . . 3.520 2.871 1.928 3.510 . 0 0 "[ . 1 . 2]" 1 147 1 10 VAL MG2 1 95 VAL QG . . 2.980 1.908 1.700 2.163 . 0 0 "[ . 1 . 2]" 1 148 1 10 VAL MG2 1 95 VAL MG2 . . 3.520 2.006 1.857 2.335 . 0 0 "[ . 1 . 2]" 1 149 1 10 VAL MG2 1 96 GLU H . . 5.500 3.328 2.497 3.934 . 0 0 "[ . 1 . 2]" 1 150 1 11 GLU H 1 11 GLU QB . . 3.620 2.104 2.040 2.210 . 0 0 "[ . 1 . 2]" 1 151 1 11 GLU H 1 11 GLU QG . . 4.470 3.800 3.439 4.040 . 0 0 "[ . 1 . 2]" 1 152 1 11 GLU H 1 12 ALA H . . 3.950 2.758 2.703 2.777 . 0 0 "[ . 1 . 2]" 1 153 1 11 GLU HA 1 11 GLU QG . . 3.630 2.316 2.129 2.688 . 0 0 "[ . 1 . 2]" 1 154 1 11 GLU HA 1 14 LEU H . . 4.030 3.000 2.926 3.242 . 0 0 "[ . 1 . 2]" 1 155 1 11 GLU HA 1 14 LEU HB2 . . 3.990 2.248 1.997 2.613 . 0 0 "[ . 1 . 2]" 1 156 1 11 GLU HA 1 14 LEU QB . . 3.490 2.232 1.988 2.580 . 0 0 "[ . 1 . 2]" 1 157 1 11 GLU HA 1 14 LEU HB3 . . 3.990 3.827 3.633 3.992 0.002 12 0 "[ . 1 . 2]" 1 158 1 11 GLU HA 1 14 LEU QD . . 3.210 2.162 1.931 2.658 . 0 0 "[ . 1 . 2]" 1 159 1 11 GLU HA 1 14 LEU HG . . 4.260 2.818 2.133 3.337 . 0 0 "[ . 1 . 2]" 1 160 1 11 GLU QB 1 12 ALA H . . 3.820 2.835 2.766 2.982 . 0 0 "[ . 1 . 2]" 1 161 1 11 GLU QG 1 14 LEU QD . . 4.340 2.965 2.359 4.145 . 0 0 "[ . 1 . 2]" 1 162 1 12 ALA H 1 12 ALA MB . . 3.260 2.135 2.024 2.234 . 0 0 "[ . 1 . 2]" 1 163 1 12 ALA H 1 13 LYS H . . 3.640 2.735 2.674 2.782 . 0 0 "[ . 1 . 2]" 1 164 1 12 ALA H 1 14 LEU H . . 5.020 3.953 3.846 4.084 . 0 0 "[ . 1 . 2]" 1 165 1 12 ALA HA 1 15 ASP H . . 4.820 3.842 3.656 4.090 . 0 0 "[ . 1 . 2]" 1 166 1 12 ALA HA 1 15 ASP HB2 . . 4.020 3.608 3.315 4.010 . 0 0 "[ . 1 . 2]" 1 167 1 12 ALA HA 1 15 ASP QB . . 3.420 3.234 3.033 3.416 . 0 0 "[ . 1 . 2]" 1 168 1 12 ALA HA 1 15 ASP HB3 . . 4.020 3.695 3.360 4.001 . 0 0 "[ . 1 . 2]" 1 169 1 12 ALA HA 1 16 VAL QG . . 5.190 5.055 4.676 5.194 0.004 10 0 "[ . 1 . 2]" 1 170 1 12 ALA MB 1 13 LYS H . . 3.500 2.720 2.607 2.862 . 0 0 "[ . 1 . 2]" 1 171 1 12 ALA MB 1 15 ASP H . . 5.500 4.829 4.695 4.993 . 0 0 "[ . 1 . 2]" 1 172 1 12 ALA MB 1 15 ASP HB2 . . 5.500 5.047 4.816 5.397 . 0 0 "[ . 1 . 2]" 1 173 1 12 ALA MB 1 15 ASP QB . . 4.620 4.432 4.251 4.556 . 0 0 "[ . 1 . 2]" 1 174 1 12 ALA MB 1 15 ASP HB3 . . 5.500 4.924 4.643 5.132 . 0 0 "[ . 1 . 2]" 1 175 1 13 LYS H 1 13 LYS HB2 . . 4.080 2.467 2.162 2.724 . 0 0 "[ . 1 . 2]" 1 176 1 13 LYS H 1 13 LYS QB . . 3.540 2.270 2.138 2.318 . 0 0 "[ . 1 . 2]" 1 177 1 13 LYS H 1 13 LYS HB3 . . 4.080 2.820 2.484 3.491 . 0 0 "[ . 1 . 2]" 1 178 1 13 LYS H 1 14 LEU H . . 4.800 2.289 2.267 2.349 . 0 0 "[ . 1 . 2]" 1 179 1 13 LYS H 1 14 LEU QD . . 5.270 4.250 3.980 4.458 . 0 0 "[ . 1 . 2]" 1 180 1 13 LYS H 1 84 ILE MG . . 5.300 5.030 4.675 5.304 0.004 17 0 "[ . 1 . 2]" 1 181 1 13 LYS H 1 88 LEU QD . . 5.440 3.551 3.126 4.228 . 0 0 "[ . 1 . 2]" 1 182 1 13 LYS HA 1 13 LYS QG . . 3.190 2.561 2.147 2.918 . 0 0 "[ . 1 . 2]" 1 183 1 13 LYS HA 1 16 VAL HB . . 4.390 4.256 3.937 4.395 0.005 10 0 "[ . 1 . 2]" 1 184 1 13 LYS HA 1 16 VAL QG . . 3.590 2.238 2.016 2.406 . 0 0 "[ . 1 . 2]" 1 185 1 13 LYS QB 1 14 LEU H . . 3.860 2.876 2.571 3.041 . 0 0 "[ . 1 . 2]" 1 186 1 13 LYS QB 1 16 VAL QG . . 4.020 3.804 3.489 3.973 . 0 0 "[ . 1 . 2]" 1 187 1 13 LYS QB 1 84 ILE MG . . 4.050 2.704 2.001 3.237 . 0 0 "[ . 1 . 2]" 1 188 1 13 LYS QB 1 88 LEU QD . . 3.640 1.974 1.728 2.572 . 0 0 "[ . 1 . 2]" 1 189 1 13 LYS QE 1 13 LYS QG . . 2.900 2.172 2.089 2.310 . 0 0 "[ . 1 . 2]" 1 190 1 13 LYS QE 1 84 ILE MG . . 3.960 3.281 1.963 3.963 0.003 10 0 "[ . 1 . 2]" 1 191 1 13 LYS QE 1 88 LEU QD . . 3.770 3.159 1.878 3.776 0.006 10 0 "[ . 1 . 2]" 1 192 1 13 LYS QG 1 16 VAL QG . . 4.310 3.155 2.706 3.985 . 0 0 "[ . 1 . 2]" 1 193 1 13 LYS QG 1 88 LEU QD . . 3.480 2.079 1.781 2.652 . 0 0 "[ . 1 . 2]" 1 194 1 13 LYS HG2 1 84 ILE MG . . 4.270 2.708 1.918 4.272 0.002 7 0 "[ . 1 . 2]" 1 195 1 13 LYS HG3 1 84 ILE MG . . 4.270 2.782 2.092 4.235 . 0 0 "[ . 1 . 2]" 1 196 1 14 LEU H 1 14 LEU QB . . 3.680 2.475 2.345 2.635 . 0 0 "[ . 1 . 2]" 1 197 1 14 LEU H 1 14 LEU MD1 . . 5.130 3.570 3.247 3.818 . 0 0 "[ . 1 . 2]" 1 198 1 14 LEU H 1 14 LEU QD . . 4.130 3.073 2.882 3.223 . 0 0 "[ . 1 . 2]" 1 199 1 14 LEU H 1 14 LEU MD2 . . 5.130 3.383 3.040 3.699 . 0 0 "[ . 1 . 2]" 1 200 1 14 LEU H 1 14 LEU HG . . 4.180 2.258 2.001 2.553 . 0 0 "[ . 1 . 2]" 1 201 1 14 LEU H 1 84 ILE MG . . 4.890 4.532 4.340 4.892 0.002 3 0 "[ . 1 . 2]" 1 202 1 14 LEU HA 1 14 LEU MD1 . . 4.390 3.899 3.813 3.946 . 0 0 "[ . 1 . 2]" 1 203 1 14 LEU HA 1 14 LEU QD . . 3.030 2.136 1.942 2.440 . 0 0 "[ . 1 . 2]" 1 204 1 14 LEU HA 1 14 LEU MD2 . . 4.390 2.147 1.948 2.464 . 0 0 "[ . 1 . 2]" 1 205 1 14 LEU HA 1 17 ALA H . . 4.520 3.364 3.085 3.601 . 0 0 "[ . 1 . 2]" 1 206 1 14 LEU HA 1 17 ALA MB . . 3.780 2.499 2.060 2.721 . 0 0 "[ . 1 . 2]" 1 207 1 14 LEU HA 1 84 ILE MD . . 4.510 4.003 3.634 4.349 . 0 0 "[ . 1 . 2]" 1 208 1 14 LEU HA 1 84 ILE QG . . 4.680 4.441 3.860 4.684 0.004 18 0 "[ . 1 . 2]" 1 209 1 14 LEU HA 1 84 ILE MG . . 4.750 3.898 3.501 4.361 . 0 0 "[ . 1 . 2]" 1 210 1 14 LEU QB 1 15 ASP H . . 3.880 2.775 2.416 2.911 . 0 0 "[ . 1 . 2]" 1 211 1 14 LEU QB 1 15 ASP HA . . 4.830 3.897 3.791 3.954 . 0 0 "[ . 1 . 2]" 1 212 1 14 LEU HB2 1 15 ASP H . . 4.650 2.842 2.455 2.990 . 0 0 "[ . 1 . 2]" 1 213 1 14 LEU HB3 1 15 ASP H . . 4.650 3.891 3.594 4.054 . 0 0 "[ . 1 . 2]" 1 214 1 14 LEU QD 1 15 ASP H . . 4.650 4.139 3.970 4.254 . 0 0 "[ . 1 . 2]" 1 215 1 14 LEU QD 1 17 ALA MB . . 3.950 3.343 3.020 3.640 . 0 0 "[ . 1 . 2]" 1 216 1 14 LEU QD 1 81 GLU HA . . 3.560 2.903 2.409 3.524 . 0 0 "[ . 1 . 2]" 1 217 1 14 LEU QD 1 81 GLU QB . . 4.130 2.484 1.845 3.454 . 0 0 "[ . 1 . 2]" 1 218 1 14 LEU QD 1 81 GLU QG . . 3.630 2.666 1.723 3.629 . 0 0 "[ . 1 . 2]" 1 219 1 14 LEU QD 1 82 ASP H . . 5.050 4.440 4.011 5.015 . 0 0 "[ . 1 . 2]" 1 220 1 14 LEU QD 1 84 ILE H . . 4.610 4.004 3.734 4.424 . 0 0 "[ . 1 . 2]" 1 221 1 14 LEU QD 1 84 ILE HB . . 3.690 2.490 2.109 2.745 . 0 0 "[ . 1 . 2]" 1 222 1 14 LEU QD 1 84 ILE MD . . 3.850 3.099 2.772 3.423 . 0 0 "[ . 1 . 2]" 1 223 1 14 LEU QD 1 84 ILE QG . . 4.360 3.822 3.265 4.228 . 0 0 "[ . 1 . 2]" 1 224 1 14 LEU QD 1 85 ILE HA . . 4.580 3.667 3.072 4.380 . 0 0 "[ . 1 . 2]" 1 225 1 14 LEU QD 1 85 ILE MD . . 2.820 1.746 1.657 1.893 . 0 0 "[ . 1 . 2]" 1 226 1 14 LEU QD 1 85 ILE QG . . 3.590 2.653 2.200 2.983 . 0 0 "[ . 1 . 2]" 1 227 1 14 LEU MD1 1 15 ASP H . . 5.350 4.604 4.368 4.869 . 0 0 "[ . 1 . 2]" 1 228 1 14 LEU MD1 1 85 ILE MD . . 3.370 2.087 1.925 2.518 . 0 0 "[ . 1 . 2]" 1 229 1 14 LEU MD2 1 15 ASP H . . 5.350 4.704 4.522 4.882 . 0 0 "[ . 1 . 2]" 1 230 1 14 LEU MD2 1 85 ILE MD . . 3.370 1.892 1.766 2.053 . 0 0 "[ . 1 . 2]" 1 231 1 14 LEU HG 1 15 ASP H . . 5.500 4.298 3.922 4.497 . 0 0 "[ . 1 . 2]" 1 232 1 15 ASP H 1 15 ASP HB2 . . 3.950 2.373 2.211 2.565 . 0 0 "[ . 1 . 2]" 1 233 1 15 ASP H 1 15 ASP QB . . 3.400 2.224 2.146 2.281 . 0 0 "[ . 1 . 2]" 1 234 1 15 ASP H 1 15 ASP HB3 . . 3.950 2.718 2.556 2.905 . 0 0 "[ . 1 . 2]" 1 235 1 15 ASP H 1 16 VAL H . . 4.150 2.714 2.506 2.941 . 0 0 "[ . 1 . 2]" 1 236 1 15 ASP H 1 16 VAL QG . . 5.260 3.768 3.669 3.903 . 0 0 "[ . 1 . 2]" 1 237 1 15 ASP H 1 17 ALA MB . . 5.500 4.613 4.365 4.822 . 0 0 "[ . 1 . 2]" 1 238 1 15 ASP HA 1 18 ARG QB . . 3.900 3.268 2.420 3.905 0.005 8 0 "[ . 1 . 2]" 1 239 1 15 ASP HA 1 18 ARG QD . . 3.320 2.718 1.991 3.367 0.047 18 0 "[ . 1 . 2]" 1 240 1 15 ASP HA 1 18 ARG QG . . 4.490 3.093 1.963 4.489 . 0 0 "[ . 1 . 2]" 1 241 1 15 ASP QB 1 16 VAL QG . . 4.940 3.791 3.603 4.001 . 0 0 "[ . 1 . 2]" 1 242 1 15 ASP QB 1 18 ARG QD . . 5.180 4.428 3.740 4.985 . 0 0 "[ . 1 . 2]" 1 243 1 15 ASP HB2 1 16 VAL H . . 4.450 3.669 3.397 3.959 . 0 0 "[ . 1 . 2]" 1 244 1 15 ASP HB3 1 16 VAL H . . 4.450 2.467 2.160 2.905 . 0 0 "[ . 1 . 2]" 1 245 1 16 VAL H 1 16 VAL HB . . 3.550 2.590 2.476 2.765 . 0 0 "[ . 1 . 2]" 1 246 1 16 VAL H 1 16 VAL MG1 . . 4.440 2.082 1.981 2.167 . 0 0 "[ . 1 . 2]" 1 247 1 16 VAL H 1 16 VAL QG . . 3.360 2.072 1.974 2.154 . 0 0 "[ . 1 . 2]" 1 248 1 16 VAL H 1 16 VAL MG2 . . 4.440 3.772 3.755 3.799 . 0 0 "[ . 1 . 2]" 1 249 1 16 VAL H 1 17 ALA H . . 4.190 2.544 2.307 2.722 . 0 0 "[ . 1 . 2]" 1 250 1 16 VAL HA 1 16 VAL MG1 . . 3.220 3.202 3.201 3.203 . 0 0 "[ . 1 . 2]" 1 251 1 16 VAL HA 1 16 VAL QG . . 2.750 2.220 2.151 2.320 . 0 0 "[ . 1 . 2]" 1 252 1 16 VAL HA 1 16 VAL MG2 . . 3.220 2.265 2.186 2.381 . 0 0 "[ . 1 . 2]" 1 253 1 16 VAL HA 1 19 ARG H . . 4.350 3.730 3.491 3.927 . 0 0 "[ . 1 . 2]" 1 254 1 16 VAL HA 1 19 ARG QB . . 3.820 3.702 3.343 3.833 0.013 5 0 "[ . 1 . 2]" 1 255 1 16 VAL HA 1 19 ARG QD . . 4.740 2.726 1.912 4.152 . 0 0 "[ . 1 . 2]" 1 256 1 16 VAL HA 1 19 ARG QG . . 4.590 3.184 2.093 3.822 . 0 0 "[ . 1 . 2]" 1 257 1 16 VAL HB 1 17 ALA H . . 4.270 4.087 3.967 4.140 . 0 0 "[ . 1 . 2]" 1 258 1 16 VAL QG 1 17 ALA H . . 4.160 2.317 2.227 2.402 . 0 0 "[ . 1 . 2]" 1 259 1 16 VAL QG 1 17 ALA HA . . 4.030 3.075 2.977 3.146 . 0 0 "[ . 1 . 2]" 1 260 1 16 VAL QG 1 17 ALA MB . . 3.180 2.893 2.730 3.084 . 0 0 "[ . 1 . 2]" 1 261 1 16 VAL QG 1 19 ARG QB . . 4.150 3.921 3.164 4.186 0.036 6 0 "[ . 1 . 2]" 1 262 1 16 VAL QG 1 19 ARG QD . . 4.010 2.964 1.893 4.013 0.003 14 0 "[ . 1 . 2]" 1 263 1 16 VAL QG 1 20 LEU H . . 4.760 4.288 3.839 4.760 . 3 0 "[ . 1 . 2]" 1 264 1 16 VAL MG1 1 17 ALA H . . 5.230 2.336 2.241 2.422 . 0 0 "[ . 1 . 2]" 1 265 1 16 VAL MG1 1 17 ALA HA . . 5.130 3.247 3.076 3.400 . 0 0 "[ . 1 . 2]" 1 266 1 16 VAL MG2 1 17 ALA H . . 5.230 3.846 3.718 3.959 . 0 0 "[ . 1 . 2]" 1 267 1 16 VAL MG2 1 17 ALA HA . . 5.130 3.834 3.618 4.035 . 0 0 "[ . 1 . 2]" 1 268 1 17 ALA H 1 17 ALA MB . . 3.580 2.229 2.090 2.291 . 0 0 "[ . 1 . 2]" 1 269 1 17 ALA H 1 18 ARG H . . 4.670 2.469 2.334 2.761 . 0 0 "[ . 1 . 2]" 1 270 1 17 ALA HA 1 20 LEU H . . 4.790 3.377 3.119 3.648 . 0 0 "[ . 1 . 2]" 1 271 1 17 ALA HA 1 20 LEU HB2 . . 4.330 3.402 2.784 3.689 . 0 0 "[ . 1 . 2]" 1 272 1 17 ALA HA 1 20 LEU QB . . 3.670 2.691 2.334 2.915 . 0 0 "[ . 1 . 2]" 1 273 1 17 ALA HA 1 20 LEU HB3 . . 4.330 2.893 2.369 4.336 0.006 2 0 "[ . 1 . 2]" 1 274 1 17 ALA HA 1 20 LEU QD . . 4.510 3.430 2.763 3.774 . 0 0 "[ . 1 . 2]" 1 275 1 17 ALA HA 1 80 TYR QE . . 3.710 3.464 3.118 3.706 . 0 0 "[ . 1 . 2]" 1 276 1 17 ALA HA 1 84 ILE MD . . 4.510 4.458 4.140 4.521 0.011 15 0 "[ . 1 . 2]" 1 277 1 17 ALA MB 1 18 ARG H . . 4.260 2.727 2.411 3.006 . 0 0 "[ . 1 . 2]" 1 278 1 17 ALA MB 1 18 ARG QG . . 4.340 3.835 3.337 4.349 0.009 18 0 "[ . 1 . 2]" 1 279 1 17 ALA MB 1 20 LEU QB . . 4.570 3.734 3.576 3.888 . 0 0 "[ . 1 . 2]" 1 280 1 17 ALA MB 1 20 LEU QD . . 5.290 3.932 3.589 4.139 . 0 0 "[ . 1 . 2]" 1 281 1 17 ALA MB 1 20 LEU HG . . 5.500 5.489 5.198 5.519 0.019 18 0 "[ . 1 . 2]" 1 282 1 17 ALA MB 1 80 TYR QD . . 3.740 3.591 3.341 3.745 0.005 18 0 "[ . 1 . 2]" 1 283 1 17 ALA MB 1 80 TYR QE . . 3.070 2.596 2.348 2.902 . 0 0 "[ . 1 . 2]" 1 284 1 17 ALA MB 1 81 GLU HA . . 5.020 3.526 3.243 4.152 . 0 0 "[ . 1 . 2]" 1 285 1 17 ALA MB 1 84 ILE MD . . 3.290 2.255 1.904 2.441 . 0 0 "[ . 1 . 2]" 1 286 1 17 ALA MB 1 84 ILE QG . . 4.030 2.816 2.371 3.087 . 0 0 "[ . 1 . 2]" 1 287 1 17 ALA MB 1 84 ILE MG . . 3.600 3.506 3.267 3.604 0.004 7 0 "[ . 1 . 2]" 1 288 1 18 ARG H 1 18 ARG QB . . 3.480 2.333 2.159 2.612 . 0 0 "[ . 1 . 2]" 1 289 1 18 ARG H 1 18 ARG HD2 . . 5.330 4.252 2.275 5.051 . 0 0 "[ . 1 . 2]" 1 290 1 18 ARG H 1 18 ARG QD . . 4.450 3.710 2.258 4.263 . 0 0 "[ . 1 . 2]" 1 291 1 18 ARG H 1 18 ARG HD3 . . 5.330 4.292 2.760 5.078 . 0 0 "[ . 1 . 2]" 1 292 1 18 ARG H 1 18 ARG QG . . 3.790 2.621 1.997 3.471 . 0 0 "[ . 1 . 2]" 1 293 1 18 ARG H 1 19 ARG H . . 4.050 2.729 2.585 2.841 . 0 0 "[ . 1 . 2]" 1 294 1 18 ARG H 1 77 LEU QD . . 4.630 4.311 3.837 4.634 0.004 17 0 "[ . 1 . 2]" 1 295 1 18 ARG HA 1 18 ARG HD2 . . 5.130 4.378 3.205 5.141 0.011 8 0 "[ . 1 . 2]" 1 296 1 18 ARG HA 1 18 ARG HD3 . . 5.130 4.573 3.901 5.363 0.233 18 0 "[ . 1 . 2]" 1 297 1 18 ARG HA 1 21 PHE H . . 4.260 3.429 3.219 3.790 . 0 0 "[ . 1 . 2]" 1 298 1 18 ARG HA 1 21 PHE HB2 . . 4.070 3.203 2.944 3.779 . 0 0 "[ . 1 . 2]" 1 299 1 18 ARG HA 1 21 PHE HB3 . . 4.860 3.197 2.760 3.509 . 0 0 "[ . 1 . 2]" 1 300 1 18 ARG HA 1 77 LEU MD1 . . 4.340 3.058 1.957 4.347 0.007 16 0 "[ . 1 . 2]" 1 301 1 18 ARG HA 1 77 LEU QD . . 3.290 2.475 1.951 2.954 . 0 0 "[ . 1 . 2]" 1 302 1 18 ARG HA 1 77 LEU MD2 . . 4.340 3.071 2.105 4.340 0.000 13 0 "[ . 1 . 2]" 1 303 1 18 ARG HA 1 77 LEU HG . . 5.500 4.762 4.075 5.435 . 0 0 "[ . 1 . 2]" 1 304 1 18 ARG HA 1 80 TYR QD . . 4.790 4.273 3.614 4.792 0.002 10 0 "[ . 1 . 2]" 1 305 1 18 ARG HA 1 80 TYR QE . . 5.060 4.636 4.048 5.059 . 0 0 "[ . 1 . 2]" 1 306 1 18 ARG QB 1 18 ARG QD . . 3.190 2.174 1.948 2.394 . 0 0 "[ . 1 . 2]" 1 307 1 18 ARG QB 1 77 LEU QD . . 4.180 2.939 2.022 3.589 . 0 0 "[ . 1 . 2]" 1 308 1 18 ARG QD 1 77 LEU QD . . 3.910 3.182 2.400 3.697 . 0 0 "[ . 1 . 2]" 1 309 1 18 ARG HD2 1 77 LEU MD1 . . 5.500 3.944 2.489 5.097 . 0 0 "[ . 1 . 2]" 1 310 1 18 ARG HD2 1 77 LEU MD2 . . 5.500 4.497 3.261 5.453 . 0 0 "[ . 1 . 2]" 1 311 1 18 ARG HD3 1 77 LEU MD1 . . 5.500 4.194 3.355 5.309 . 0 0 "[ . 1 . 2]" 1 312 1 18 ARG HD3 1 77 LEU MD2 . . 5.500 4.707 3.580 5.503 0.003 18 0 "[ . 1 . 2]" 1 313 1 18 ARG QG 1 77 LEU QD . . 3.720 2.541 1.781 3.727 0.007 6 0 "[ . 1 . 2]" 1 314 1 19 ARG H 1 19 ARG QB . . 3.300 2.465 2.268 2.629 . 0 0 "[ . 1 . 2]" 1 315 1 19 ARG H 1 19 ARG QG . . 3.440 2.276 1.923 2.679 . 0 0 "[ . 1 . 2]" 1 316 1 19 ARG H 1 20 LEU H . . 3.970 2.612 2.345 2.825 . 0 0 "[ . 1 . 2]" 1 317 1 19 ARG HA 1 19 ARG QB . . 2.330 2.246 2.167 2.326 . 0 0 "[ . 1 . 2]" 1 318 1 19 ARG HA 1 19 ARG HD2 . . 5.500 4.756 4.442 4.984 . 0 0 "[ . 1 . 2]" 1 319 1 19 ARG HA 1 19 ARG QD . . 4.780 4.250 3.563 4.463 . 0 0 "[ . 1 . 2]" 1 320 1 19 ARG HA 1 19 ARG HD3 . . 5.500 4.909 3.725 5.507 0.007 15 0 "[ . 1 . 2]" 1 321 1 19 ARG HA 1 19 ARG HG2 . . 3.940 3.098 2.561 3.877 . 0 0 "[ . 1 . 2]" 1 322 1 19 ARG HA 1 19 ARG QG . . 3.430 2.892 2.488 3.342 . 0 0 "[ . 1 . 2]" 1 323 1 19 ARG HA 1 19 ARG HG3 . . 3.940 3.564 3.129 3.889 . 0 0 "[ . 1 . 2]" 1 324 1 19 ARG QB 1 20 LEU H . . 3.670 3.052 2.387 3.611 . 0 0 "[ . 1 . 2]" 1 325 1 19 ARG HB2 1 20 LEU H . . 4.310 3.326 2.420 4.216 . 0 0 "[ . 1 . 2]" 1 326 1 19 ARG HB3 1 20 LEU H . . 4.310 3.885 3.634 4.072 . 0 0 "[ . 1 . 2]" 1 327 1 19 ARG QG 1 20 LEU H . . 3.840 3.091 2.071 3.849 0.009 8 0 "[ . 1 . 2]" 1 328 1 20 LEU H 1 20 LEU HB2 . . 3.670 2.556 2.167 2.729 . 0 0 "[ . 1 . 2]" 1 329 1 20 LEU H 1 20 LEU HB3 . . 3.670 2.531 2.387 3.481 . 0 0 "[ . 1 . 2]" 1 330 1 20 LEU H 1 20 LEU QD . . 5.180 3.701 3.452 3.776 . 0 0 "[ . 1 . 2]" 1 331 1 20 LEU H 1 21 PHE H . . 4.380 2.498 2.349 2.734 . 0 0 "[ . 1 . 2]" 1 332 1 20 LEU H 1 40 LEU QD . . 5.440 5.373 4.961 5.441 0.001 10 0 "[ . 1 . 2]" 1 333 1 20 LEU HA 1 20 LEU MD1 . . 3.970 2.232 2.077 3.806 . 0 0 "[ . 1 . 2]" 1 334 1 20 LEU HA 1 20 LEU QD . . 3.130 2.134 2.059 2.364 . 0 0 "[ . 1 . 2]" 1 335 1 20 LEU HA 1 20 LEU MD2 . . 3.970 3.753 2.068 3.967 . 0 0 "[ . 1 . 2]" 1 336 1 20 LEU HA 1 20 LEU HG . . 3.280 3.195 2.819 3.272 . 0 0 "[ . 1 . 2]" 1 337 1 20 LEU HA 1 23 ARG H . . 4.090 3.434 3.206 3.587 . 0 0 "[ . 1 . 2]" 1 338 1 20 LEU HA 1 23 ARG HB3 . . 3.640 2.622 2.112 2.989 . 0 0 "[ . 1 . 2]" 1 339 1 20 LEU HA 1 23 ARG QD . . 3.930 3.036 2.733 3.923 . 0 0 "[ . 1 . 2]" 1 340 1 20 LEU HA 1 23 ARG HG2 . . 4.750 4.643 4.125 4.753 0.003 10 0 "[ . 1 . 2]" 1 341 1 20 LEU HA 1 23 ARG QG . . 4.180 4.040 3.409 4.182 0.002 7 0 "[ . 1 . 2]" 1 342 1 20 LEU HA 1 23 ARG HG3 . . 4.750 4.497 3.501 4.752 0.002 2 0 "[ . 1 . 2]" 1 343 1 20 LEU HA 1 24 TYR QD . . 4.260 4.170 3.367 4.263 0.003 3 0 "[ . 1 . 2]" 1 344 1 20 LEU HA 1 24 TYR QE . . 4.540 4.499 4.056 4.553 0.013 18 0 "[ . 1 . 2]" 1 345 1 20 LEU QB 1 21 PHE H . . 4.140 2.778 2.583 2.916 . 0 0 "[ . 1 . 2]" 1 346 1 20 LEU QB 1 24 TYR QD . . 5.340 4.704 2.948 4.896 . 0 0 "[ . 1 . 2]" 1 347 1 20 LEU QB 1 40 LEU QD . . 3.990 3.477 2.393 3.712 . 0 0 "[ . 1 . 2]" 1 348 1 20 LEU QB 1 80 TYR QE . . 3.980 3.100 2.874 3.434 . 0 0 "[ . 1 . 2]" 1 349 1 20 LEU HB2 1 24 TYR QE . . 5.500 5.246 4.883 5.311 . 0 0 "[ . 1 . 2]" 1 350 1 20 LEU HB3 1 24 TYR QE . . 5.500 5.377 3.572 5.510 0.010 15 0 "[ . 1 . 2]" 1 351 1 20 LEU QD 1 23 ARG HB3 . . 5.280 2.600 2.397 3.349 . 0 0 "[ . 1 . 2]" 1 352 1 20 LEU QD 1 23 ARG QD . . 3.740 2.200 1.955 2.793 . 0 0 "[ . 1 . 2]" 1 353 1 20 LEU QD 1 24 TYR QD . . 3.490 2.707 2.386 3.259 . 0 0 "[ . 1 . 2]" 1 354 1 20 LEU QD 1 24 TYR QE . . 2.910 1.898 1.880 1.925 . 0 0 "[ . 1 . 2]" 1 355 1 20 LEU QD 1 32 LEU QD . . 4.640 4.510 4.338 4.642 0.002 2 0 "[ . 1 . 2]" 1 356 1 20 LEU QD 1 40 LEU HA . . 4.190 3.609 3.418 3.756 . 0 0 "[ . 1 . 2]" 1 357 1 20 LEU QD 1 40 LEU QD . . 3.210 2.520 2.176 2.883 . 0 0 "[ . 1 . 2]" 1 358 1 20 LEU QD 1 43 ASP QB . . 3.120 1.970 1.832 2.238 . 0 0 "[ . 1 . 2]" 1 359 1 20 LEU QD 1 44 THR HA . . 4.040 2.360 1.978 2.776 . 0 0 "[ . 1 . 2]" 1 360 1 20 LEU QD 1 44 THR HB . . 5.440 3.778 3.451 4.229 . 0 0 "[ . 1 . 2]" 1 361 1 20 LEU QD 1 47 GLU QG . . 4.310 2.746 2.081 3.590 . 0 0 "[ . 1 . 2]" 1 362 1 20 LEU QD 1 80 TYR QE . . 4.360 3.395 3.029 3.574 . 0 0 "[ . 1 . 2]" 1 363 1 20 LEU MD1 1 24 TYR QD . . 4.580 2.821 2.397 4.316 . 0 0 "[ . 1 . 2]" 1 364 1 20 LEU MD1 1 24 TYR QE . . 3.600 1.981 1.887 3.400 . 0 0 "[ . 1 . 2]" 1 365 1 20 LEU MD1 1 43 ASP HA . . 5.240 4.521 4.246 4.891 . 0 0 "[ . 1 . 2]" 1 366 1 20 LEU MD1 1 43 ASP HB2 . . 4.530 3.043 2.225 4.149 . 0 0 "[ . 1 . 2]" 1 367 1 20 LEU MD1 1 43 ASP HB3 . . 4.530 2.109 1.970 2.604 . 0 0 "[ . 1 . 2]" 1 368 1 20 LEU MD1 1 44 THR HA . . 4.740 4.049 2.689 4.622 . 0 0 "[ . 1 . 2]" 1 369 1 20 LEU MD1 1 80 TYR QE . . 5.240 5.118 3.613 5.250 0.010 17 0 "[ . 1 . 2]" 1 370 1 20 LEU MD2 1 24 TYR QD . . 4.580 4.409 2.545 4.584 0.004 3 0 "[ . 1 . 2]" 1 371 1 20 LEU MD2 1 24 TYR QE . . 3.600 3.510 1.895 3.605 0.005 10 0 "[ . 1 . 2]" 1 372 1 20 LEU MD2 1 43 ASP HA . . 5.240 4.752 4.462 5.194 . 0 0 "[ . 1 . 2]" 1 373 1 20 LEU MD2 1 43 ASP HB2 . . 4.530 4.034 3.076 4.516 . 0 0 "[ . 1 . 2]" 1 374 1 20 LEU MD2 1 43 ASP HB3 . . 4.530 2.803 1.992 3.313 . 0 0 "[ . 1 . 2]" 1 375 1 20 LEU MD2 1 44 THR HA . . 4.740 2.458 1.984 4.339 . 0 0 "[ . 1 . 2]" 1 376 1 20 LEU MD2 1 80 TYR QE . . 5.240 3.519 3.048 5.133 . 0 0 "[ . 1 . 2]" 1 377 1 20 LEU HG 1 24 TYR QD . . 5.110 3.351 2.971 5.113 0.003 2 0 "[ . 1 . 2]" 1 378 1 20 LEU HG 1 24 TYR QE . . 4.620 3.355 2.878 4.626 0.006 2 0 "[ . 1 . 2]" 1 379 1 21 PHE H 1 21 PHE HB2 . . 4.140 2.463 2.374 2.625 . 0 0 "[ . 1 . 2]" 1 380 1 21 PHE H 1 21 PHE HB3 . . 3.990 2.609 2.474 2.696 . 0 0 "[ . 1 . 2]" 1 381 1 21 PHE H 1 21 PHE QD . . 4.390 4.174 4.149 4.192 . 0 0 "[ . 1 . 2]" 1 382 1 21 PHE H 1 22 LYS H . . 4.070 2.829 2.618 2.963 . 0 0 "[ . 1 . 2]" 1 383 1 21 PHE H 1 80 TYR QE . . 4.650 3.736 3.249 4.054 . 0 0 "[ . 1 . 2]" 1 384 1 21 PHE HA 1 21 PHE QD . . 3.800 3.025 2.629 3.124 . 0 0 "[ . 1 . 2]" 1 385 1 21 PHE HA 1 24 TYR QD . . 4.960 4.033 3.789 4.328 . 0 0 "[ . 1 . 2]" 1 386 1 21 PHE HA 1 32 LEU MD1 . . 4.640 2.803 2.392 3.391 . 0 0 "[ . 1 . 2]" 1 387 1 21 PHE HA 1 32 LEU QD . . 4.060 2.652 2.362 2.988 . 0 0 "[ . 1 . 2]" 1 388 1 21 PHE HA 1 32 LEU MD2 . . 4.640 3.440 2.756 3.893 . 0 0 "[ . 1 . 2]" 1 389 1 21 PHE HA 1 40 LEU QD . . 3.240 2.931 2.405 3.240 . 0 0 "[ . 1 . 2]" 1 390 1 21 PHE HA 1 80 TYR QD . . 4.610 4.298 3.955 4.595 . 0 0 "[ . 1 . 2]" 1 391 1 21 PHE HA 1 80 TYR QE . . 4.630 4.043 3.504 4.407 . 0 0 "[ . 1 . 2]" 1 392 1 21 PHE HB2 1 22 LYS H . . 4.330 3.633 3.487 3.816 . 0 0 "[ . 1 . 2]" 1 393 1 21 PHE HB2 1 32 LEU QD . . 4.760 3.817 3.530 4.228 . 0 0 "[ . 1 . 2]" 1 394 1 21 PHE HB2 1 40 LEU QD . . 4.940 4.188 3.467 4.441 . 0 0 "[ . 1 . 2]" 1 395 1 21 PHE HB2 1 77 LEU QD . . 4.040 2.776 2.306 3.525 . 0 0 "[ . 1 . 2]" 1 396 1 21 PHE HB2 1 80 TYR QD . . 3.980 2.677 2.001 3.069 . 0 0 "[ . 1 . 2]" 1 397 1 21 PHE HB2 1 80 TYR QE . . 4.000 3.272 2.423 3.619 . 0 0 "[ . 1 . 2]" 1 398 1 21 PHE HB3 1 22 LYS H . . 3.870 2.230 2.039 2.580 . 0 0 "[ . 1 . 2]" 1 399 1 21 PHE HB3 1 22 LYS QD . . 5.340 4.757 2.508 5.206 . 0 0 "[ . 1 . 2]" 1 400 1 21 PHE HB3 1 22 LYS QG . . 5.340 3.556 2.994 5.019 . 0 0 "[ . 1 . 2]" 1 401 1 21 PHE HB3 1 40 LEU QD . . 5.310 5.120 4.541 5.311 0.001 2 0 "[ . 1 . 2]" 1 402 1 21 PHE HB3 1 77 LEU QD . . 4.400 2.547 2.092 3.437 . 0 0 "[ . 1 . 2]" 1 403 1 21 PHE HB3 1 80 TYR QD . . 4.730 4.290 3.423 4.695 . 0 0 "[ . 1 . 2]" 1 404 1 21 PHE HB3 1 80 TYR QE . . 5.330 4.875 4.043 5.265 . 0 0 "[ . 1 . 2]" 1 405 1 21 PHE QD 1 22 LYS HA . . 3.750 2.930 2.661 3.616 . 0 0 "[ . 1 . 2]" 1 406 1 21 PHE QD 1 22 LYS HB2 . . 4.550 4.392 3.432 4.551 0.001 11 0 "[ . 1 . 2]" 1 407 1 21 PHE QD 1 22 LYS QG . . 3.690 2.823 2.153 3.467 . 0 0 "[ . 1 . 2]" 1 408 1 21 PHE QD 1 25 ASP H . . 5.460 4.457 3.849 5.290 . 0 0 "[ . 1 . 2]" 1 409 1 21 PHE QD 1 25 ASP HB2 . . 4.920 3.322 2.608 4.155 . 0 0 "[ . 1 . 2]" 1 410 1 21 PHE QD 1 30 GLY QA . . 5.340 4.250 3.673 5.139 . 0 0 "[ . 1 . 2]" 1 411 1 21 PHE QD 1 32 LEU MD1 . . 4.360 2.707 2.202 3.225 . 0 0 "[ . 1 . 2]" 1 412 1 21 PHE QD 1 32 LEU QD . . 3.380 2.560 2.059 3.019 . 0 0 "[ . 1 . 2]" 1 413 1 21 PHE QD 1 32 LEU MD2 . . 4.360 3.652 2.097 4.202 . 0 0 "[ . 1 . 2]" 1 414 1 21 PHE QD 1 32 LEU HG . . 4.650 4.004 3.631 4.703 0.053 17 0 "[ . 1 . 2]" 1 415 1 21 PHE QD 1 40 LEU MD1 . . 5.400 4.073 2.511 4.910 . 0 0 "[ . 1 . 2]" 1 416 1 21 PHE QD 1 40 LEU QD . . 4.170 3.672 2.458 4.025 . 0 0 "[ . 1 . 2]" 1 417 1 21 PHE QD 1 40 LEU MD2 . . 5.400 4.390 3.502 5.070 . 0 0 "[ . 1 . 2]" 1 418 1 21 PHE QD 1 75 VAL MG1 . . 4.910 4.264 3.697 4.537 . 0 0 "[ . 1 . 2]" 1 419 1 21 PHE QD 1 77 LEU HA . . 4.320 3.284 2.868 4.025 . 0 0 "[ . 1 . 2]" 1 420 1 21 PHE QD 1 77 LEU MD1 . . 4.830 3.817 2.087 4.456 . 0 0 "[ . 1 . 2]" 1 421 1 21 PHE QD 1 77 LEU QD . . 3.650 2.656 2.007 3.321 . 0 0 "[ . 1 . 2]" 1 422 1 21 PHE QD 1 77 LEU MD2 . . 4.830 3.186 2.010 4.806 . 0 0 "[ . 1 . 2]" 1 423 1 21 PHE QD 1 80 TYR HA . . 5.500 5.222 4.658 5.497 . 0 0 "[ . 1 . 2]" 1 424 1 21 PHE QD 1 80 TYR QB . . 4.390 2.624 2.161 3.057 . 0 0 "[ . 1 . 2]" 1 425 1 21 PHE QD 1 80 TYR QD . . 3.140 2.312 2.000 2.959 . 0 0 "[ . 1 . 2]" 1 426 1 21 PHE QD 1 80 TYR QE . . 3.960 3.809 3.437 3.962 0.002 18 0 "[ . 1 . 2]" 1 427 1 21 PHE QE 1 22 LYS QG . . 5.340 4.301 3.576 4.767 . 0 0 "[ . 1 . 2]" 1 428 1 21 PHE QE 1 25 ASP HB2 . . 5.290 3.266 2.550 4.101 . 0 0 "[ . 1 . 2]" 1 429 1 21 PHE QE 1 25 ASP HB3 . . 4.800 3.824 3.400 4.686 . 0 0 "[ . 1 . 2]" 1 430 1 21 PHE QE 1 30 GLY HA2 . . 4.650 2.458 2.086 3.538 . 0 0 "[ . 1 . 2]" 1 431 1 21 PHE QE 1 30 GLY QA . . 3.970 2.431 2.075 3.435 . 0 0 "[ . 1 . 2]" 1 432 1 21 PHE QE 1 30 GLY HA3 . . 4.650 3.945 3.575 4.653 0.003 17 0 "[ . 1 . 2]" 1 433 1 21 PHE QE 1 31 GLN HA . . 4.010 3.669 3.371 3.991 . 0 0 "[ . 1 . 2]" 1 434 1 21 PHE QE 1 32 LEU H . . 5.330 3.789 3.125 4.438 . 0 0 "[ . 1 . 2]" 1 435 1 21 PHE QE 1 32 LEU QB . . 5.340 3.756 1.979 4.330 . 0 0 "[ . 1 . 2]" 1 436 1 21 PHE QE 1 32 LEU MD1 . . 4.310 2.586 2.320 3.057 . 0 0 "[ . 1 . 2]" 1 437 1 21 PHE QE 1 32 LEU QD . . 3.500 2.479 2.014 2.758 . 0 0 "[ . 1 . 2]" 1 438 1 21 PHE QE 1 32 LEU MD2 . . 4.310 3.581 2.119 4.312 0.002 2 0 "[ . 1 . 2]" 1 439 1 21 PHE QE 1 32 LEU HG . . 4.600 3.133 2.635 4.204 . 0 0 "[ . 1 . 2]" 1 440 1 21 PHE QE 1 40 LEU QD . . 5.440 4.494 3.718 5.022 . 0 0 "[ . 1 . 2]" 1 441 1 21 PHE QE 1 75 VAL MG1 . . 4.180 3.051 2.422 3.805 . 0 0 "[ . 1 . 2]" 1 442 1 21 PHE QE 1 76 SER HA . . 4.250 3.264 2.221 4.017 . 0 0 "[ . 1 . 2]" 1 443 1 21 PHE QE 1 77 LEU H . . 5.500 3.765 3.159 4.242 . 0 0 "[ . 1 . 2]" 1 444 1 21 PHE QE 1 77 LEU HA . . 4.020 3.247 2.851 3.883 . 0 0 "[ . 1 . 2]" 1 445 1 21 PHE QE 1 77 LEU QB . . 5.340 3.971 2.381 4.722 . 0 0 "[ . 1 . 2]" 1 446 1 21 PHE QE 1 77 LEU QD . . 4.500 3.445 3.052 4.054 . 0 0 "[ . 1 . 2]" 1 447 1 21 PHE QE 1 80 TYR QB . . 4.260 2.595 2.375 3.168 . 0 0 "[ . 1 . 2]" 1 448 1 21 PHE HZ 1 30 GLY QA . . 5.100 3.642 2.845 4.484 . 0 0 "[ . 1 . 2]" 1 449 1 21 PHE HZ 1 31 GLN H . . 4.400 3.949 3.561 4.353 . 0 0 "[ . 1 . 2]" 1 450 1 21 PHE HZ 1 31 GLN HA . . 3.670 2.435 1.998 3.026 . 0 0 "[ . 1 . 2]" 1 451 1 21 PHE HZ 1 32 LEU H . . 4.470 3.274 2.484 4.084 . 0 0 "[ . 1 . 2]" 1 452 1 21 PHE HZ 1 32 LEU MD1 . . 5.160 3.697 2.764 4.368 . 0 0 "[ . 1 . 2]" 1 453 1 21 PHE HZ 1 32 LEU QD . . 4.130 3.455 2.724 4.068 . 0 0 "[ . 1 . 2]" 1 454 1 21 PHE HZ 1 32 LEU MD2 . . 5.160 4.246 3.751 5.030 . 0 0 "[ . 1 . 2]" 1 455 1 21 PHE HZ 1 32 LEU HG . . 5.500 3.262 2.628 5.529 0.029 17 0 "[ . 1 . 2]" 1 456 1 21 PHE HZ 1 76 SER HA . . 3.920 2.449 2.000 3.268 . 0 0 "[ . 1 . 2]" 1 457 1 21 PHE HZ 1 76 SER QB . . 5.110 4.345 3.236 4.886 . 0 0 "[ . 1 . 2]" 1 458 1 21 PHE HZ 1 77 LEU H . . 4.340 3.636 3.078 4.234 . 0 0 "[ . 1 . 2]" 1 459 1 21 PHE HZ 1 77 LEU HA . . 4.640 4.219 3.436 4.638 . 0 0 "[ . 1 . 2]" 1 460 1 22 LYS H 1 22 LYS HB2 . . 3.300 2.250 2.102 2.528 . 0 0 "[ . 1 . 2]" 1 461 1 22 LYS H 1 22 LYS QG . . 3.860 2.790 2.120 3.723 . 0 0 "[ . 1 . 2]" 1 462 1 22 LYS HA 1 25 ASP H . . 3.980 2.852 2.694 3.056 . 0 0 "[ . 1 . 2]" 1 463 1 22 LYS HA 1 25 ASP HB2 . . 4.180 3.057 2.561 3.707 . 0 0 "[ . 1 . 2]" 1 464 1 22 LYS HA 1 25 ASP HB3 . . 3.930 2.132 2.004 2.433 . 0 0 "[ . 1 . 2]" 1 465 1 22 LYS HB2 1 22 LYS QE . . 4.870 3.372 2.168 4.469 . 0 0 "[ . 1 . 2]" 1 466 1 22 LYS HB2 1 23 ARG H . . 3.530 3.081 2.955 3.528 . 0 0 "[ . 1 . 2]" 1 467 1 23 ARG H 1 23 ARG HB3 . . 3.010 2.663 2.439 2.976 . 0 0 "[ . 1 . 2]" 1 468 1 23 ARG H 1 23 ARG HG2 . . 4.970 4.467 4.277 4.578 . 0 0 "[ . 1 . 2]" 1 469 1 23 ARG H 1 23 ARG QG . . 4.220 3.922 3.750 3.973 . 0 0 "[ . 1 . 2]" 1 470 1 23 ARG H 1 23 ARG HG3 . . 4.970 4.356 4.071 4.509 . 0 0 "[ . 1 . 2]" 1 471 1 23 ARG HA 1 23 ARG QD . . 4.750 4.060 3.422 4.280 . 0 0 "[ . 1 . 2]" 1 472 1 23 ARG HA 1 23 ARG HG2 . . 4.030 2.954 2.254 3.469 . 0 0 "[ . 1 . 2]" 1 473 1 23 ARG HA 1 23 ARG QG . . 3.400 2.417 2.227 2.569 . 0 0 "[ . 1 . 2]" 1 474 1 23 ARG HA 1 23 ARG HG3 . . 4.030 2.637 2.356 3.472 . 0 0 "[ . 1 . 2]" 1 475 1 23 ARG HB3 1 23 ARG QD . . 3.210 2.382 2.181 2.623 . 0 0 "[ . 1 . 2]" 1 476 1 23 ARG HB3 1 24 TYR H . . 3.600 2.898 2.657 3.004 . 0 0 "[ . 1 . 2]" 1 477 1 23 ARG HB3 1 24 TYR QD . . 4.210 2.923 2.448 3.596 . 0 0 "[ . 1 . 2]" 1 478 1 23 ARG HB3 1 24 TYR QE . . 4.190 3.826 3.376 4.190 0.000 2 0 "[ . 1 . 2]" 1 479 1 23 ARG QD 1 24 TYR QD . . 4.540 3.835 3.270 4.184 . 0 0 "[ . 1 . 2]" 1 480 1 23 ARG QD 1 24 TYR QE . . 3.390 3.191 2.949 3.391 0.001 10 0 "[ . 1 . 2]" 1 481 1 23 ARG QG 1 24 TYR H . . 5.100 3.983 3.421 4.450 . 0 0 "[ . 1 . 2]" 1 482 1 23 ARG QG 1 24 TYR QD . . 4.750 4.043 3.357 4.686 . 0 0 "[ . 1 . 2]" 1 483 1 23 ARG QG 1 24 TYR QE . . 5.220 4.240 3.429 4.818 . 0 0 "[ . 1 . 2]" 1 484 1 24 TYR H 1 24 TYR HB2 . . 3.850 2.399 2.349 2.467 . 0 0 "[ . 1 . 2]" 1 485 1 24 TYR H 1 24 TYR QB . . 3.310 2.368 2.320 2.431 . 0 0 "[ . 1 . 2]" 1 486 1 24 TYR H 1 24 TYR HB3 . . 3.850 3.630 3.592 3.675 . 0 0 "[ . 1 . 2]" 1 487 1 24 TYR H 1 24 TYR QD . . 4.090 2.940 2.679 3.281 . 0 0 "[ . 1 . 2]" 1 488 1 24 TYR H 1 24 TYR QE . . 5.400 5.000 4.785 5.179 . 0 0 "[ . 1 . 2]" 1 489 1 24 TYR H 1 25 ASP H . . 3.420 2.048 1.964 2.187 . 0 0 "[ . 1 . 2]" 1 490 1 24 TYR H 1 32 LEU QD . . 4.500 3.788 3.354 4.129 . 0 0 "[ . 1 . 2]" 1 491 1 24 TYR H 1 40 LEU QD . . 4.650 4.469 4.154 4.646 . 0 0 "[ . 1 . 2]" 1 492 1 24 TYR HA 1 24 TYR QD . . 3.210 2.837 2.454 3.048 . 0 0 "[ . 1 . 2]" 1 493 1 24 TYR HA 1 24 TYR QE . . 4.640 4.529 4.429 4.600 . 0 0 "[ . 1 . 2]" 1 494 1 24 TYR QB 1 25 ASP H . . 4.340 2.848 2.629 3.008 . 0 0 "[ . 1 . 2]" 1 495 1 24 TYR QB 1 32 LEU QD . . 4.340 2.423 2.116 3.232 . 0 0 "[ . 1 . 2]" 1 496 1 24 TYR QB 1 40 LEU H . . 5.160 4.656 3.916 5.013 . 0 0 "[ . 1 . 2]" 1 497 1 24 TYR QB 1 40 LEU QD . . 4.630 3.189 2.742 3.579 . 0 0 "[ . 1 . 2]" 1 498 1 24 TYR QD 1 32 LEU QD . . 4.500 3.729 3.497 4.283 . 0 0 "[ . 1 . 2]" 1 499 1 24 TYR QD 1 39 GLY QA . . 5.120 3.677 2.949 4.201 . 0 0 "[ . 1 . 2]" 1 500 1 24 TYR QD 1 40 LEU HA . . 4.100 3.384 2.705 3.711 . 0 0 "[ . 1 . 2]" 1 501 1 24 TYR QD 1 40 LEU QB . . 4.770 3.647 3.104 3.991 . 0 0 "[ . 1 . 2]" 1 502 1 24 TYR QD 1 40 LEU QD . . 3.560 2.629 2.332 3.023 . 0 0 "[ . 1 . 2]" 1 503 1 24 TYR QE 1 39 GLY QA . . 3.810 2.739 2.277 3.476 . 0 0 "[ . 1 . 2]" 1 504 1 24 TYR QE 1 40 LEU HA . . 3.790 2.811 2.501 3.090 . 0 0 "[ . 1 . 2]" 1 505 1 24 TYR QE 1 40 LEU QB . . 5.340 4.186 3.469 4.533 . 0 0 "[ . 1 . 2]" 1 506 1 24 TYR QE 1 40 LEU QD . . 3.840 3.241 2.833 3.760 . 0 0 "[ . 1 . 2]" 1 507 1 24 TYR QE 1 43 ASP H . . 4.550 3.986 3.603 4.476 . 0 0 "[ . 1 . 2]" 1 508 1 24 TYR QE 1 43 ASP HB2 . . 4.020 2.995 2.095 3.426 . 0 0 "[ . 1 . 2]" 1 509 1 24 TYR QE 1 43 ASP QB . . 3.450 2.451 2.066 3.026 . 0 0 "[ . 1 . 2]" 1 510 1 24 TYR QE 1 43 ASP HB3 . . 4.020 2.802 2.278 4.010 . 0 0 "[ . 1 . 2]" 1 511 1 25 ASP H 1 25 ASP HB2 . . 3.310 2.449 2.337 2.620 . 0 0 "[ . 1 . 2]" 1 512 1 25 ASP H 1 25 ASP HB3 . . 3.330 2.679 2.533 2.808 . 0 0 "[ . 1 . 2]" 1 513 1 25 ASP H 1 32 LEU QD . . 4.110 3.144 2.796 3.528 . 0 0 "[ . 1 . 2]" 1 514 1 25 ASP HA 1 26 LYS H . . 3.210 2.398 2.258 2.578 . 0 0 "[ . 1 . 2]" 1 515 1 25 ASP HA 1 26 LYS QB . . 5.030 4.389 4.238 4.586 . 0 0 "[ . 1 . 2]" 1 516 1 25 ASP HA 1 32 LEU HA . . 5.250 4.869 4.438 5.165 . 0 0 "[ . 1 . 2]" 1 517 1 25 ASP HA 1 32 LEU QD . . 3.380 3.158 2.895 3.372 . 0 0 "[ . 1 . 2]" 1 518 1 25 ASP HB2 1 26 LYS H . . 4.980 4.644 4.618 4.664 . 0 0 "[ . 1 . 2]" 1 519 1 25 ASP HB2 1 32 LEU MD1 . . 4.380 4.134 2.323 4.382 0.002 19 0 "[ . 1 . 2]" 1 520 1 25 ASP HB2 1 32 LEU QD . . 3.580 2.488 1.978 2.847 . 0 0 "[ . 1 . 2]" 1 521 1 25 ASP HB2 1 32 LEU MD2 . . 4.380 2.704 1.982 4.384 0.004 17 0 "[ . 1 . 2]" 1 522 1 25 ASP HB3 1 32 LEU QD . . 4.150 3.898 3.484 4.151 0.001 7 0 "[ . 1 . 2]" 1 523 1 26 LYS H 1 26 LYS QB . . 3.020 2.277 2.169 2.456 . 0 0 "[ . 1 . 2]" 1 524 1 26 LYS H 1 26 LYS HG2 . . 5.370 4.139 2.352 4.677 . 0 0 "[ . 1 . 2]" 1 525 1 26 LYS H 1 26 LYS QG . . 4.580 3.594 2.327 4.085 . 0 0 "[ . 1 . 2]" 1 526 1 26 LYS H 1 26 LYS HG3 . . 5.370 4.043 2.661 4.616 . 0 0 "[ . 1 . 2]" 1 527 1 26 LYS H 1 32 LEU QD . . 5.440 4.852 4.472 5.131 . 0 0 "[ . 1 . 2]" 1 528 1 26 LYS H 1 36 GLU HG2 . . 5.500 4.793 3.706 5.505 0.005 18 0 "[ . 1 . 2]" 1 529 1 26 LYS H 1 36 GLU QG . . 4.820 4.297 3.613 4.751 . 0 0 "[ . 1 . 2]" 1 530 1 26 LYS H 1 36 GLU HG3 . . 5.500 5.160 4.084 5.484 . 0 0 "[ . 1 . 2]" 1 531 1 26 LYS HA 1 26 LYS QD . . 3.630 3.058 2.037 3.630 0.000 15 0 "[ . 1 . 2]" 1 532 1 26 LYS HA 1 26 LYS HG2 . . 3.980 3.185 2.211 3.718 . 0 0 "[ . 1 . 2]" 1 533 1 26 LYS HA 1 26 LYS HG3 . . 3.980 2.824 2.185 3.788 . 0 0 "[ . 1 . 2]" 1 534 1 26 LYS QB 1 27 ASP H . . 3.390 2.916 2.769 3.395 0.005 18 0 "[ . 1 . 2]" 1 535 1 26 LYS QB 1 27 ASP HA . . 5.270 4.023 3.921 4.269 . 0 0 "[ . 1 . 2]" 1 536 1 26 LYS HG2 1 27 ASP H . . 5.500 4.878 4.314 5.481 . 0 0 "[ . 1 . 2]" 1 537 1 26 LYS HG3 1 27 ASP H . . 5.500 4.782 4.394 5.291 . 0 0 "[ . 1 . 2]" 1 538 1 27 ASP H 1 27 ASP QB . . 3.500 2.302 2.185 2.679 . 0 0 "[ . 1 . 2]" 1 539 1 27 ASP H 1 28 GLY H . . 3.920 2.554 2.476 2.569 . 0 0 "[ . 1 . 2]" 1 540 1 27 ASP H 1 28 GLY QA . . 4.880 4.433 4.363 4.453 . 0 0 "[ . 1 . 2]" 1 541 1 29 SER H 1 29 SER QB . . 3.470 2.514 2.226 2.822 . 0 0 "[ . 1 . 2]" 1 542 1 29 SER H 1 30 GLY H . . 3.600 2.385 2.026 2.518 . 0 0 "[ . 1 . 2]" 1 543 1 29 SER H 1 31 GLN H . . 4.560 3.871 3.652 4.068 . 0 0 "[ . 1 . 2]" 1 544 1 29 SER HA 1 29 SER QB . . 2.580 2.265 2.182 2.473 . 0 0 "[ . 1 . 2]" 1 545 1 30 GLY H 1 31 GLN H . . 3.450 2.417 2.315 2.688 . 0 0 "[ . 1 . 2]" 1 546 1 30 GLY QA 1 31 GLN HA . . 4.910 4.011 4.002 4.039 . 0 0 "[ . 1 . 2]" 1 547 1 31 GLN H 1 31 GLN QG . . 4.260 3.701 1.941 4.060 . 0 0 "[ . 1 . 2]" 1 548 1 31 GLN HA 1 31 GLN QG . . 3.720 2.343 2.161 3.422 . 0 0 "[ . 1 . 2]" 1 549 1 31 GLN HA 1 32 LEU H . . 3.420 2.214 2.161 2.482 . 0 0 "[ . 1 . 2]" 1 550 1 31 GLN HA 1 32 LEU HA . . 4.740 4.379 4.360 4.405 . 0 0 "[ . 1 . 2]" 1 551 1 31 GLN HA 1 74 SER HB2 . . 4.860 4.319 3.385 4.861 0.001 19 0 "[ . 1 . 2]" 1 552 1 31 GLN HA 1 74 SER QB . . 4.250 3.768 3.307 4.263 0.013 17 0 "[ . 1 . 2]" 1 553 1 31 GLN HA 1 74 SER HB3 . . 4.860 4.365 3.405 4.868 0.008 16 0 "[ . 1 . 2]" 1 554 1 31 GLN HA 1 76 SER HA . . 3.340 2.688 1.989 3.022 . 0 0 "[ . 1 . 2]" 1 555 1 31 GLN HA 1 76 SER QB . . 4.460 4.163 3.518 4.460 0.000 7 0 "[ . 1 . 2]" 1 556 1 31 GLN HB3 1 32 LEU H . . 3.780 3.184 2.775 3.661 . 0 0 "[ . 1 . 2]" 1 557 1 31 GLN HB3 1 74 SER HA . . 4.440 3.989 3.027 4.479 0.039 17 0 "[ . 1 . 2]" 1 558 1 31 GLN HB3 1 74 SER HB2 . . 3.820 2.820 2.032 3.646 . 0 0 "[ . 1 . 2]" 1 559 1 31 GLN HB3 1 74 SER QB . . 3.190 2.170 1.940 2.731 . 0 0 "[ . 1 . 2]" 1 560 1 31 GLN HB3 1 74 SER HB3 . . 3.820 2.414 2.022 3.529 . 0 0 "[ . 1 . 2]" 1 561 1 31 GLN HB3 1 75 VAL H . . 5.000 3.908 2.630 4.567 . 0 0 "[ . 1 . 2]" 1 562 1 31 GLN HB3 1 76 SER HA . . 5.170 4.726 2.307 5.173 0.003 18 0 "[ . 1 . 2]" 1 563 1 31 GLN QG 1 32 LEU H . . 5.340 3.697 3.361 4.442 . 0 0 "[ . 1 . 2]" 1 564 1 31 GLN QG 1 74 SER QB . . 3.540 2.138 1.928 2.447 . 0 0 "[ . 1 . 2]" 1 565 1 31 GLN QG 1 76 SER HA . . 4.160 3.147 2.561 4.231 0.071 17 0 "[ . 1 . 2]" 1 566 1 31 GLN HG2 1 74 SER HA . . 5.500 4.712 3.871 5.485 . 0 0 "[ . 1 . 2]" 1 567 1 31 GLN HG2 1 74 SER HB2 . . 4.670 2.415 2.002 3.772 . 0 0 "[ . 1 . 2]" 1 568 1 31 GLN HG2 1 74 SER HB3 . . 4.670 3.016 2.030 3.439 . 0 0 "[ . 1 . 2]" 1 569 1 31 GLN HG3 1 74 SER HA . . 5.500 5.321 4.349 5.502 0.002 7 0 "[ . 1 . 2]" 1 570 1 31 GLN HG3 1 74 SER HB2 . . 4.670 3.276 2.206 4.182 . 0 0 "[ . 1 . 2]" 1 571 1 31 GLN HG3 1 74 SER HB3 . . 4.670 3.851 2.224 4.667 . 0 0 "[ . 1 . 2]" 1 572 1 32 LEU H 1 32 LEU HG . . 4.820 2.935 2.515 4.693 . 0 0 "[ . 1 . 2]" 1 573 1 32 LEU H 1 74 SER QB . . 4.490 3.644 2.499 4.242 . 0 0 "[ . 1 . 2]" 1 574 1 32 LEU H 1 75 VAL H . . 4.350 2.504 1.955 3.239 . 0 0 "[ . 1 . 2]" 1 575 1 32 LEU H 1 75 VAL HB . . 5.500 3.377 2.654 3.728 . 0 0 "[ . 1 . 2]" 1 576 1 32 LEU HA 1 32 LEU MD1 . . 4.090 3.736 2.129 3.963 . 0 0 "[ . 1 . 2]" 1 577 1 32 LEU HA 1 32 LEU QD . . 3.130 2.140 1.974 2.329 . 0 0 "[ . 1 . 2]" 1 578 1 32 LEU HA 1 32 LEU MD2 . . 4.090 2.312 1.980 3.779 . 0 0 "[ . 1 . 2]" 1 579 1 32 LEU HA 1 32 LEU HG . . 4.230 2.951 2.650 3.204 . 0 0 "[ . 1 . 2]" 1 580 1 32 LEU HA 1 33 GLN H . . 3.400 2.165 2.140 2.182 . 0 0 "[ . 1 . 2]" 1 581 1 32 LEU HA 1 33 GLN QG . . 5.180 4.205 3.820 5.166 . 0 0 "[ . 1 . 2]" 1 582 1 32 LEU HA 1 36 GLU HA . . 5.330 5.282 5.119 5.331 0.001 20 0 "[ . 1 . 2]" 1 583 1 32 LEU HA 1 36 GLU QB . . 4.020 2.400 2.214 2.484 . 0 0 "[ . 1 . 2]" 1 584 1 32 LEU HA 1 36 GLU HG2 . . 5.500 3.857 3.129 4.538 . 0 0 "[ . 1 . 2]" 1 585 1 32 LEU HA 1 36 GLU HG3 . . 5.500 4.098 2.852 4.773 . 0 0 "[ . 1 . 2]" 1 586 1 32 LEU HA 1 37 ILE MD . . 4.930 4.715 4.398 4.819 . 0 0 "[ . 1 . 2]" 1 587 1 32 LEU HA 1 75 VAL HB . . 5.500 5.299 4.577 5.503 0.003 6 0 "[ . 1 . 2]" 1 588 1 32 LEU QB 1 37 ILE MD . . 4.180 3.091 2.681 3.369 . 0 0 "[ . 1 . 2]" 1 589 1 32 LEU QB 1 37 ILE HG12 . . 5.010 2.624 2.278 2.894 . 0 0 "[ . 1 . 2]" 1 590 1 32 LEU QB 1 37 ILE HG13 . . 4.860 2.231 2.020 2.408 . 0 0 "[ . 1 . 2]" 1 591 1 32 LEU QB 1 40 LEU QD . . 5.180 3.372 3.104 3.742 . 0 0 "[ . 1 . 2]" 1 592 1 32 LEU QB 1 75 VAL H . . 5.340 3.221 2.790 3.664 . 0 0 "[ . 1 . 2]" 1 593 1 32 LEU QB 1 75 VAL HA . . 5.180 4.985 4.565 5.187 0.007 16 0 "[ . 1 . 2]" 1 594 1 32 LEU QB 1 75 VAL HB . . 5.070 2.545 2.160 2.733 . 0 0 "[ . 1 . 2]" 1 595 1 32 LEU QB 1 75 VAL MG1 . . 4.230 3.878 3.238 4.109 . 0 0 "[ . 1 . 2]" 1 596 1 32 LEU HB2 1 37 ILE HA . . 5.310 4.587 3.873 5.249 . 0 0 "[ . 1 . 2]" 1 597 1 32 LEU HB2 1 37 ILE MD . . 4.820 3.480 2.824 4.189 . 0 0 "[ . 1 . 2]" 1 598 1 32 LEU HB3 1 37 ILE HA . . 5.310 3.455 3.111 3.900 . 0 0 "[ . 1 . 2]" 1 599 1 32 LEU HB3 1 37 ILE MD . . 4.820 3.569 2.827 3.900 . 0 0 "[ . 1 . 2]" 1 600 1 32 LEU QD 1 33 GLN H . . 4.160 3.758 3.520 4.012 . 0 0 "[ . 1 . 2]" 1 601 1 32 LEU QD 1 36 GLU H . . 5.280 4.718 4.364 5.051 . 0 0 "[ . 1 . 2]" 1 602 1 32 LEU QD 1 36 GLU HA . . 4.500 4.071 3.731 4.503 0.003 17 0 "[ . 1 . 2]" 1 603 1 32 LEU QD 1 36 GLU QB . . 3.540 2.015 1.838 2.368 . 0 0 "[ . 1 . 2]" 1 604 1 32 LEU QD 1 36 GLU QG . . 4.370 2.926 2.546 3.442 . 0 0 "[ . 1 . 2]" 1 605 1 32 LEU QD 1 37 ILE HA . . 3.810 3.237 2.593 3.562 . 0 0 "[ . 1 . 2]" 1 606 1 32 LEU QD 1 37 ILE MD . . 4.260 4.029 3.720 4.237 . 0 0 "[ . 1 . 2]" 1 607 1 32 LEU QD 1 40 LEU QD . . 3.200 1.885 1.702 2.120 . 0 0 "[ . 1 . 2]" 1 608 1 32 LEU QD 1 40 LEU HG . . 4.410 4.084 3.650 4.403 . 0 0 "[ . 1 . 2]" 1 609 1 32 LEU QD 1 63 TRP HH2 . . 4.320 3.672 3.166 3.917 . 0 0 "[ . 1 . 2]" 1 610 1 32 LEU QD 1 63 TRP HZ2 . . 5.440 5.319 4.702 5.442 0.002 13 0 "[ . 1 . 2]" 1 611 1 32 LEU QD 1 63 TRP HZ3 . . 4.530 4.098 3.704 4.511 . 0 0 "[ . 1 . 2]" 1 612 1 32 LEU QD 1 75 VAL HA . . 5.440 5.267 4.967 5.465 0.025 17 0 "[ . 1 . 2]" 1 613 1 32 LEU QD 1 75 VAL HB . . 4.120 3.019 2.641 3.371 . 0 0 "[ . 1 . 2]" 1 614 1 32 LEU QD 1 75 VAL MG1 . . 3.810 3.337 3.113 3.491 . 0 0 "[ . 1 . 2]" 1 615 1 32 LEU QD 1 75 VAL MG2 . . 4.590 3.948 3.577 4.368 . 0 0 "[ . 1 . 2]" 1 616 1 32 LEU QD 1 80 TYR QD . . 4.750 3.661 3.449 3.973 . 0 0 "[ . 1 . 2]" 1 617 1 32 LEU QD 1 80 TYR QE . . 4.380 4.084 3.760 4.358 . 0 0 "[ . 1 . 2]" 1 618 1 32 LEU MD1 1 37 ILE HA . . 4.410 3.643 2.877 4.438 0.028 17 0 "[ . 1 . 2]" 1 619 1 32 LEU MD1 1 37 ILE MD . . 5.120 4.362 3.884 5.097 . 0 0 "[ . 1 . 2]" 1 620 1 32 LEU MD2 1 37 ILE HA . . 4.410 3.871 2.610 4.411 0.001 14 0 "[ . 1 . 2]" 1 621 1 32 LEU MD2 1 37 ILE MD . . 5.120 4.867 4.010 5.119 . 0 0 "[ . 1 . 2]" 1 622 1 33 GLN H 1 33 GLN QB . . 3.640 2.334 2.176 2.519 . 0 0 "[ . 1 . 2]" 1 623 1 33 GLN H 1 36 GLU QB . . 4.100 2.248 1.940 2.559 . 0 0 "[ . 1 . 2]" 1 624 1 33 GLN H 1 37 ILE HG13 . . 4.370 4.154 3.736 4.370 0.000 15 0 "[ . 1 . 2]" 1 625 1 33 GLN HA 1 33 GLN HG2 . . 3.650 2.500 2.201 3.574 . 0 0 "[ . 1 . 2]" 1 626 1 33 GLN HA 1 33 GLN HG3 . . 3.650 3.153 2.290 3.651 0.001 18 0 "[ . 1 . 2]" 1 627 1 33 GLN HA 1 34 ASP H . . 3.040 2.526 2.481 2.589 . 0 0 "[ . 1 . 2]" 1 628 1 33 GLN HA 1 37 ILE MD . . 3.700 3.279 3.067 3.583 . 0 0 "[ . 1 . 2]" 1 629 1 33 GLN HA 1 64 LEU MD1 . . 5.380 3.587 2.599 4.905 . 0 0 "[ . 1 . 2]" 1 630 1 33 GLN HA 1 64 LEU QD . . 4.360 3.405 2.584 4.242 . 0 0 "[ . 1 . 2]" 1 631 1 33 GLN HA 1 64 LEU MD2 . . 5.380 4.871 3.724 5.336 . 0 0 "[ . 1 . 2]" 1 632 1 33 GLN HA 1 74 SER HA . . 3.880 3.206 2.786 3.483 . 0 0 "[ . 1 . 2]" 1 633 1 33 GLN HA 1 74 SER HB2 . . 5.370 5.341 5.106 5.374 0.004 16 0 "[ . 1 . 2]" 1 634 1 33 GLN HA 1 74 SER QB . . 4.490 3.867 3.545 4.119 . 0 0 "[ . 1 . 2]" 1 635 1 33 GLN HA 1 74 SER HB3 . . 5.370 3.974 3.616 4.277 . 0 0 "[ . 1 . 2]" 1 636 1 33 GLN QB 1 34 ASP H . . 3.300 2.156 2.031 2.227 . 0 0 "[ . 1 . 2]" 1 637 1 33 GLN QB 1 35 ASP H . . 3.990 2.510 2.370 2.575 . 0 0 "[ . 1 . 2]" 1 638 1 33 GLN QB 1 36 GLU H . . 3.990 2.811 2.586 2.981 . 0 0 "[ . 1 . 2]" 1 639 1 33 GLN QB 1 74 SER HA . . 5.340 5.164 4.759 5.344 0.004 18 0 "[ . 1 . 2]" 1 640 1 33 GLN HB2 1 34 ASP H . . 3.830 3.490 3.207 3.681 . 0 0 "[ . 1 . 2]" 1 641 1 33 GLN HB3 1 34 ASP H . . 3.830 2.177 2.044 2.249 . 0 0 "[ . 1 . 2]" 1 642 1 33 GLN QG 1 34 ASP H . . 4.230 3.710 3.267 4.003 . 0 0 "[ . 1 . 2]" 1 643 1 33 GLN QG 1 37 ILE MD . . 5.340 4.938 4.646 5.197 . 0 0 "[ . 1 . 2]" 1 644 1 33 GLN QG 1 74 SER HA . . 4.340 4.160 3.519 4.331 . 0 0 "[ . 1 . 2]" 1 645 1 33 GLN QG 1 74 SER QB . . 4.050 3.583 2.811 4.038 . 0 0 "[ . 1 . 2]" 1 646 1 34 ASP H 1 34 ASP QB . . 3.240 2.404 2.181 2.681 . 0 0 "[ . 1 . 2]" 1 647 1 34 ASP H 1 37 ILE MD . . 3.840 3.470 3.182 3.708 . 0 0 "[ . 1 . 2]" 1 648 1 34 ASP HA 1 34 ASP QB . . 2.630 2.257 2.174 2.459 . 0 0 "[ . 1 . 2]" 1 649 1 34 ASP HA 1 37 ILE MD . . 2.990 2.274 1.971 2.650 . 0 0 "[ . 1 . 2]" 1 650 1 34 ASP HA 1 37 ILE HG13 . . 5.040 3.961 3.734 4.246 . 0 0 "[ . 1 . 2]" 1 651 1 34 ASP HA 1 37 ILE MG . . 4.490 4.167 4.000 4.403 . 0 0 "[ . 1 . 2]" 1 652 1 34 ASP HA 1 38 ALA MB . . 5.360 4.951 4.475 5.360 0.000 4 0 "[ . 1 . 2]" 1 653 1 34 ASP HA 1 60 VAL MG1 . . 2.910 2.474 1.966 2.910 0.000 16 0 "[ . 1 . 2]" 1 654 1 34 ASP HA 1 64 LEU QD . . 3.720 2.758 2.111 3.675 . 0 0 "[ . 1 . 2]" 1 655 1 34 ASP QB 1 60 VAL MG1 . . 3.790 3.092 2.593 3.669 . 0 0 "[ . 1 . 2]" 1 656 1 34 ASP QB 1 64 LEU QD . . 3.900 3.186 2.625 3.880 . 0 0 "[ . 1 . 2]" 1 657 1 35 ASP H 1 35 ASP QB . . 3.020 2.368 2.168 2.709 . 0 0 "[ . 1 . 2]" 1 658 1 35 ASP H 1 36 GLU H . . 3.510 2.536 2.400 2.659 . 0 0 "[ . 1 . 2]" 1 659 1 35 ASP HA 1 35 ASP QB . . 2.560 2.367 2.174 2.489 . 0 0 "[ . 1 . 2]" 1 660 1 35 ASP HA 1 38 ALA H . . 4.060 3.493 3.256 3.770 . 0 0 "[ . 1 . 2]" 1 661 1 35 ASP HA 1 38 ALA MB . . 3.280 2.732 2.521 3.128 . 0 0 "[ . 1 . 2]" 1 662 1 35 ASP QB 1 36 GLU H . . 4.470 2.511 2.234 3.488 . 0 0 "[ . 1 . 2]" 1 663 1 35 ASP QB 1 38 ALA MB . . 4.660 4.231 3.837 4.554 . 0 0 "[ . 1 . 2]" 1 664 1 36 GLU H 1 36 GLU QG . . 3.170 2.809 2.004 3.168 . 0 0 "[ . 1 . 2]" 1 665 1 36 GLU H 1 37 ILE H . . 4.250 2.657 2.324 2.880 . 0 0 "[ . 1 . 2]" 1 666 1 36 GLU HA 1 36 GLU HG2 . . 3.850 3.034 2.368 3.574 . 0 0 "[ . 1 . 2]" 1 667 1 36 GLU HA 1 36 GLU QG . . 3.320 2.425 2.192 3.118 . 0 0 "[ . 1 . 2]" 1 668 1 36 GLU HA 1 36 GLU HG3 . . 3.850 2.769 2.264 3.811 . 0 0 "[ . 1 . 2]" 1 669 1 37 ILE H 1 37 ILE MD . . 4.500 3.236 3.074 3.409 . 0 0 "[ . 1 . 2]" 1 670 1 37 ILE H 1 37 ILE HG12 . . 4.290 3.643 3.418 3.773 . 0 0 "[ . 1 . 2]" 1 671 1 37 ILE H 1 37 ILE HG13 . . 4.270 2.179 1.953 2.339 . 0 0 "[ . 1 . 2]" 1 672 1 37 ILE H 1 37 ILE MG . . 4.520 3.767 3.763 3.773 . 0 0 "[ . 1 . 2]" 1 673 1 37 ILE H 1 60 VAL MG1 . . 5.130 3.872 3.571 4.297 . 0 0 "[ . 1 . 2]" 1 674 1 37 ILE HA 1 37 ILE MD . . 3.890 3.882 3.878 3.884 . 0 0 "[ . 1 . 2]" 1 675 1 37 ILE HA 1 37 ILE HG12 . . 4.250 2.755 2.691 2.819 . 0 0 "[ . 1 . 2]" 1 676 1 37 ILE HA 1 37 ILE MG . . 3.570 2.389 2.349 2.400 . 0 0 "[ . 1 . 2]" 1 677 1 37 ILE HA 1 40 LEU HB2 . . 4.050 2.800 2.556 3.216 . 0 0 "[ . 1 . 2]" 1 678 1 37 ILE HA 1 40 LEU QB . . 3.540 2.080 1.939 2.253 . 0 0 "[ . 1 . 2]" 1 679 1 37 ILE HA 1 40 LEU HB3 . . 4.050 2.157 2.000 2.400 . 0 0 "[ . 1 . 2]" 1 680 1 37 ILE HA 1 40 LEU MD1 . . 4.970 4.133 3.711 4.630 . 0 0 "[ . 1 . 2]" 1 681 1 37 ILE HA 1 40 LEU QD . . 4.100 2.603 2.423 2.799 . 0 0 "[ . 1 . 2]" 1 682 1 37 ILE HA 1 40 LEU MD2 . . 4.970 2.635 2.434 2.841 . 0 0 "[ . 1 . 2]" 1 683 1 37 ILE HA 1 40 LEU HG . . 4.840 4.558 3.944 4.842 0.002 17 0 "[ . 1 . 2]" 1 684 1 37 ILE HA 1 41 LEU QD . . 4.810 4.144 3.999 4.291 . 0 0 "[ . 1 . 2]" 1 685 1 37 ILE HA 1 41 LEU HG . . 5.500 4.201 3.949 4.486 . 0 0 "[ . 1 . 2]" 1 686 1 37 ILE HA 1 60 VAL MG2 . . 5.360 5.268 5.044 5.361 0.001 12 0 "[ . 1 . 2]" 1 687 1 37 ILE HB 1 37 ILE MD . . 3.630 2.272 2.124 2.361 . 0 0 "[ . 1 . 2]" 1 688 1 37 ILE HB 1 38 ALA H . . 3.760 2.792 2.571 2.990 . 0 0 "[ . 1 . 2]" 1 689 1 37 ILE HB 1 38 ALA HA . . 5.140 4.224 4.187 4.258 . 0 0 "[ . 1 . 2]" 1 690 1 37 ILE HB 1 41 LEU QD . . 5.070 4.288 3.744 4.677 . 0 0 "[ . 1 . 2]" 1 691 1 37 ILE HB 1 60 VAL MG1 . . 3.540 2.038 1.893 2.275 . 0 0 "[ . 1 . 2]" 1 692 1 37 ILE HB 1 60 VAL MG2 . . 4.610 3.723 3.326 4.124 . 0 0 "[ . 1 . 2]" 1 693 1 37 ILE HB 1 64 LEU QD . . 5.200 3.986 3.703 4.286 . 0 0 "[ . 1 . 2]" 1 694 1 37 ILE MD 1 37 ILE MG . . 3.220 2.212 2.042 2.394 . 0 0 "[ . 1 . 2]" 1 695 1 37 ILE MD 1 40 LEU QD . . 5.440 4.241 3.940 4.567 . 0 0 "[ . 1 . 2]" 1 696 1 37 ILE MD 1 41 LEU QD . . 5.440 4.465 4.063 4.826 . 0 0 "[ . 1 . 2]" 1 697 1 37 ILE MD 1 63 TRP HE3 . . 3.860 3.032 2.418 3.536 . 0 0 "[ . 1 . 2]" 1 698 1 37 ILE MD 1 63 TRP HZ3 . . 3.810 2.774 2.205 3.361 . 0 0 "[ . 1 . 2]" 1 699 1 37 ILE MD 1 64 LEU H . . 4.740 4.322 3.801 4.676 . 0 0 "[ . 1 . 2]" 1 700 1 37 ILE MD 1 64 LEU HA . . 3.720 3.335 2.809 3.701 . 0 0 "[ . 1 . 2]" 1 701 1 37 ILE MD 1 64 LEU QB . . 3.840 2.601 1.958 3.272 . 0 0 "[ . 1 . 2]" 1 702 1 37 ILE MD 1 64 LEU HG . . 4.350 2.430 1.915 4.204 . 0 0 "[ . 1 . 2]" 1 703 1 37 ILE MD 1 74 SER HA . . 4.660 3.676 2.964 4.245 . 0 0 "[ . 1 . 2]" 1 704 1 37 ILE MD 1 75 VAL HB . . 4.270 3.588 3.103 4.015 . 0 0 "[ . 1 . 2]" 1 705 1 37 ILE HG13 1 63 TRP HZ3 . . 4.820 4.182 3.870 4.596 . 0 0 "[ . 1 . 2]" 1 706 1 37 ILE MG 1 38 ALA H . . 4.180 3.564 3.392 3.707 . 0 0 "[ . 1 . 2]" 1 707 1 37 ILE MG 1 38 ALA HA . . 4.520 3.539 3.412 3.656 . 0 0 "[ . 1 . 2]" 1 708 1 37 ILE MG 1 38 ALA MB . . 5.020 4.356 4.194 4.490 . 0 0 "[ . 1 . 2]" 1 709 1 37 ILE MG 1 40 LEU QB . . 4.390 2.897 2.595 3.286 . 0 0 "[ . 1 . 2]" 1 710 1 37 ILE MG 1 40 LEU QD . . 4.050 2.472 2.084 3.162 . 0 0 "[ . 1 . 2]" 1 711 1 37 ILE MG 1 41 LEU H . . 4.330 3.430 3.041 3.915 . 0 0 "[ . 1 . 2]" 1 712 1 37 ILE MG 1 41 LEU HB2 . . 5.470 4.391 3.934 5.042 . 0 0 "[ . 1 . 2]" 1 713 1 37 ILE MG 1 41 LEU QB . . 4.640 4.084 3.674 4.642 0.002 6 0 "[ . 1 . 2]" 1 714 1 37 ILE MG 1 41 LEU HB3 . . 5.470 4.867 4.404 5.429 . 0 0 "[ . 1 . 2]" 1 715 1 37 ILE MG 1 41 LEU MD1 . . 4.150 2.668 1.888 3.141 . 0 0 "[ . 1 . 2]" 1 716 1 37 ILE MG 1 41 LEU QD . . 3.480 2.312 1.876 2.611 . 0 0 "[ . 1 . 2]" 1 717 1 37 ILE MG 1 41 LEU MD2 . . 4.150 2.618 2.331 3.267 . 0 0 "[ . 1 . 2]" 1 718 1 37 ILE MG 1 41 LEU HG . . 4.470 2.415 1.941 3.028 . 0 0 "[ . 1 . 2]" 1 719 1 37 ILE MG 1 60 VAL HA . . 3.920 3.508 3.295 3.706 . 0 0 "[ . 1 . 2]" 1 720 1 37 ILE MG 1 60 VAL HB . . 5.140 4.478 4.269 4.771 . 0 0 "[ . 1 . 2]" 1 721 1 37 ILE MG 1 60 VAL MG1 . . 3.010 2.018 1.847 2.309 . 0 0 "[ . 1 . 2]" 1 722 1 37 ILE MG 1 60 VAL MG2 . . 3.390 3.065 2.819 3.276 . 0 0 "[ . 1 . 2]" 1 723 1 37 ILE MG 1 63 TRP HB2 . . 4.790 4.594 4.218 4.789 . 0 0 "[ . 1 . 2]" 1 724 1 37 ILE MG 1 63 TRP HB3 . . 4.630 3.329 3.002 3.518 . 0 0 "[ . 1 . 2]" 1 725 1 37 ILE MG 1 63 TRP HE3 . . 3.560 2.175 1.943 2.422 . 0 0 "[ . 1 . 2]" 1 726 1 37 ILE MG 1 63 TRP HZ3 . . 4.180 2.556 2.138 3.088 . 0 0 "[ . 1 . 2]" 1 727 1 37 ILE MG 1 64 LEU H . . 4.920 4.322 3.920 4.615 . 0 0 "[ . 1 . 2]" 1 728 1 37 ILE MG 1 64 LEU HG . . 5.500 4.409 3.755 5.501 0.001 20 0 "[ . 1 . 2]" 1 729 1 37 ILE MG 1 75 VAL HB . . 5.500 5.072 4.329 5.389 . 0 0 "[ . 1 . 2]" 1 730 1 37 ILE MG 1 80 TYR QE . . 5.500 5.257 4.762 5.496 . 0 0 "[ . 1 . 2]" 1 731 1 38 ALA H 1 38 ALA MB . . 3.030 2.103 2.030 2.186 . 0 0 "[ . 1 . 2]" 1 732 1 38 ALA H 1 39 GLY H . . 4.160 2.872 2.823 2.975 . 0 0 "[ . 1 . 2]" 1 733 1 38 ALA H 1 41 LEU QD . . 5.440 4.808 4.010 5.042 . 0 0 "[ . 1 . 2]" 1 734 1 38 ALA H 1 60 VAL MG1 . . 4.120 3.020 2.563 3.291 . 0 0 "[ . 1 . 2]" 1 735 1 38 ALA H 1 60 VAL MG2 . . 4.250 3.534 3.304 3.678 . 0 0 "[ . 1 . 2]" 1 736 1 38 ALA HA 1 40 LEU QB . . 5.340 5.029 4.773 5.148 . 0 0 "[ . 1 . 2]" 1 737 1 38 ALA HA 1 41 LEU QB . . 4.400 4.143 3.514 4.403 0.003 13 0 "[ . 1 . 2]" 1 738 1 38 ALA HA 1 41 LEU MD1 . . 5.500 3.376 2.575 3.732 . 0 0 "[ . 1 . 2]" 1 739 1 38 ALA HA 1 41 LEU QD . . 4.040 3.330 2.569 3.658 . 0 0 "[ . 1 . 2]" 1 740 1 38 ALA HA 1 41 LEU MD2 . . 5.500 5.171 4.859 5.420 . 0 0 "[ . 1 . 2]" 1 741 1 38 ALA HA 1 41 LEU HG . . 4.880 3.843 3.513 4.648 . 0 0 "[ . 1 . 2]" 1 742 1 38 ALA HA 1 55 PRO HB2 . . 5.500 5.277 4.980 5.505 0.005 17 0 "[ . 1 . 2]" 1 743 1 38 ALA HA 1 55 PRO HG2 . . 4.650 3.702 3.370 3.918 . 0 0 "[ . 1 . 2]" 1 744 1 38 ALA HA 1 55 PRO HG3 . . 5.150 4.997 4.732 5.151 0.001 6 0 "[ . 1 . 2]" 1 745 1 38 ALA HA 1 60 VAL MG1 . . 4.120 3.133 2.316 3.843 . 0 0 "[ . 1 . 2]" 1 746 1 38 ALA HA 1 60 VAL MG2 . . 3.480 2.104 1.936 2.638 . 0 0 "[ . 1 . 2]" 1 747 1 38 ALA MB 1 39 GLY H . . 3.830 2.452 2.199 2.605 . 0 0 "[ . 1 . 2]" 1 748 1 38 ALA MB 1 41 LEU QD . . 5.410 4.425 3.893 4.648 . 0 0 "[ . 1 . 2]" 1 749 1 38 ALA MB 1 55 PRO HG2 . . 4.330 4.308 4.194 4.333 0.003 16 0 "[ . 1 . 2]" 1 750 1 38 ALA MB 1 57 LYS HA . . 5.490 4.370 3.873 4.970 . 0 0 "[ . 1 . 2]" 1 751 1 38 ALA MB 1 60 VAL MG1 . . 3.730 3.363 2.895 3.733 0.003 17 0 "[ . 1 . 2]" 1 752 1 38 ALA MB 1 60 VAL MG2 . . 3.170 2.651 2.347 3.011 . 0 0 "[ . 1 . 2]" 1 753 1 39 GLY H 1 40 LEU H . . 3.990 2.422 2.386 2.577 . 0 0 "[ . 1 . 2]" 1 754 1 39 GLY QA 1 42 LYS H . . 4.190 3.371 3.216 3.530 . 0 0 "[ . 1 . 2]" 1 755 1 39 GLY QA 1 42 LYS QB . . 3.410 2.542 2.420 2.831 . 0 0 "[ . 1 . 2]" 1 756 1 39 GLY QA 1 42 LYS QD . . 4.670 3.302 2.379 4.643 . 0 0 "[ . 1 . 2]" 1 757 1 39 GLY QA 1 43 ASP H . . 5.280 4.560 4.435 4.709 . 0 0 "[ . 1 . 2]" 1 758 1 40 LEU H 1 40 LEU MD1 . . 4.640 4.182 4.116 4.321 . 0 0 "[ . 1 . 2]" 1 759 1 40 LEU H 1 40 LEU MD2 . . 4.640 4.125 3.889 4.179 . 0 0 "[ . 1 . 2]" 1 760 1 40 LEU H 1 41 LEU H . . 4.170 2.812 2.591 2.923 . 0 0 "[ . 1 . 2]" 1 761 1 40 LEU H 1 41 LEU QD . . 5.020 4.556 4.335 4.736 . 0 0 "[ . 1 . 2]" 1 762 1 40 LEU HA 1 40 LEU MD1 . . 3.970 2.585 2.214 3.318 . 0 0 "[ . 1 . 2]" 1 763 1 40 LEU HA 1 40 LEU QD . . 3.410 2.545 2.203 3.121 . 0 0 "[ . 1 . 2]" 1 764 1 40 LEU HA 1 40 LEU MD2 . . 3.970 3.929 3.798 3.954 . 0 0 "[ . 1 . 2]" 1 765 1 40 LEU HA 1 40 LEU HG . . 3.820 2.996 2.724 3.462 . 0 0 "[ . 1 . 2]" 1 766 1 40 LEU QB 1 41 LEU H . . 4.080 2.335 2.210 2.538 . 0 0 "[ . 1 . 2]" 1 767 1 40 LEU QD 1 41 LEU H . . 4.150 3.363 2.932 3.610 . 0 0 "[ . 1 . 2]" 1 768 1 40 LEU QD 1 41 LEU HA . . 4.270 3.600 2.730 3.859 . 0 0 "[ . 1 . 2]" 1 769 1 40 LEU QD 1 41 LEU HG . . 4.110 3.739 2.986 4.110 . 0 0 "[ . 1 . 2]" 1 770 1 40 LEU QD 1 44 THR HB . . 4.800 3.757 3.413 4.070 . 0 0 "[ . 1 . 2]" 1 771 1 40 LEU QD 1 44 THR MG . . 4.320 3.426 3.146 3.656 . 0 0 "[ . 1 . 2]" 1 772 1 40 LEU QD 1 45 TYR QD . . 5.440 5.419 5.075 5.450 0.010 12 0 "[ . 1 . 2]" 1 773 1 40 LEU QD 1 63 TRP HH2 . . 3.740 2.477 1.991 2.906 . 0 0 "[ . 1 . 2]" 1 774 1 40 LEU QD 1 63 TRP HZ2 . . 3.880 3.061 2.538 3.864 . 0 0 "[ . 1 . 2]" 1 775 1 40 LEU QD 1 80 TYR QD . . 4.160 3.230 2.904 3.577 . 0 0 "[ . 1 . 2]" 1 776 1 40 LEU QD 1 80 TYR QE . . 3.250 2.478 2.117 2.928 . 0 0 "[ . 1 . 2]" 1 777 1 40 LEU MD1 1 41 LEU H . . 4.930 4.416 3.925 4.678 . 0 0 "[ . 1 . 2]" 1 778 1 40 LEU MD1 1 80 TYR QE . . 3.740 3.183 2.732 3.688 . 0 0 "[ . 1 . 2]" 1 779 1 40 LEU MD2 1 41 LEU H . . 4.930 3.536 2.963 4.056 . 0 0 "[ . 1 . 2]" 1 780 1 40 LEU MD2 1 80 TYR QE . . 3.740 2.615 2.145 3.299 . 0 0 "[ . 1 . 2]" 1 781 1 40 LEU HG 1 41 LEU H . . 3.930 3.414 2.909 3.874 . 0 0 "[ . 1 . 2]" 1 782 1 40 LEU HG 1 41 LEU QD . . 4.570 3.372 2.439 4.565 . 0 0 "[ . 1 . 2]" 1 783 1 40 LEU HG 1 44 THR HB . . 5.500 3.682 3.486 4.061 . 0 0 "[ . 1 . 2]" 1 784 1 40 LEU HG 1 63 TRP HZ2 . . 5.500 5.017 4.398 5.500 0.000 14 0 "[ . 1 . 2]" 1 785 1 40 LEU HG 1 80 TYR QE . . 5.500 4.099 3.634 4.587 . 0 0 "[ . 1 . 2]" 1 786 1 41 LEU H 1 41 LEU HB2 . . 4.040 2.658 2.422 2.741 . 0 0 "[ . 1 . 2]" 1 787 1 41 LEU H 1 41 LEU QB . . 3.440 2.588 2.385 2.657 . 0 0 "[ . 1 . 2]" 1 788 1 41 LEU H 1 41 LEU HB3 . . 4.040 3.576 3.565 3.586 . 0 0 "[ . 1 . 2]" 1 789 1 41 LEU H 1 41 LEU MD1 . . 5.090 3.583 2.989 3.643 . 0 0 "[ . 1 . 2]" 1 790 1 41 LEU H 1 41 LEU QD . . 4.300 2.708 2.514 3.153 . 0 0 "[ . 1 . 2]" 1 791 1 41 LEU H 1 41 LEU MD2 . . 5.090 2.852 2.563 3.840 . 0 0 "[ . 1 . 2]" 1 792 1 41 LEU H 1 41 LEU HG . . 4.370 2.049 1.949 2.385 . 0 0 "[ . 1 . 2]" 1 793 1 41 LEU H 1 42 LYS H . . 3.650 2.767 2.677 2.816 . 0 0 "[ . 1 . 2]" 1 794 1 41 LEU HA 1 41 LEU MD1 . . 3.860 3.859 3.846 3.874 0.014 17 0 "[ . 1 . 2]" 1 795 1 41 LEU HA 1 41 LEU QD . . 3.310 2.183 2.038 2.629 . 0 0 "[ . 1 . 2]" 1 796 1 41 LEU HA 1 41 LEU MD2 . . 3.860 2.196 2.045 2.675 . 0 0 "[ . 1 . 2]" 1 797 1 41 LEU HA 1 41 LEU HG . . 4.140 3.268 2.666 3.431 . 0 0 "[ . 1 . 2]" 1 798 1 41 LEU HA 1 43 ASP H . . 5.500 4.491 4.131 4.902 . 0 0 "[ . 1 . 2]" 1 799 1 41 LEU HA 1 44 THR HA . . 5.270 4.968 4.894 5.056 . 0 0 "[ . 1 . 2]" 1 800 1 41 LEU HA 1 44 THR HB . . 3.570 2.113 2.000 2.266 . 0 0 "[ . 1 . 2]" 1 801 1 41 LEU HA 1 44 THR MG . . 4.630 3.549 3.395 3.759 . 0 0 "[ . 1 . 2]" 1 802 1 41 LEU HA 1 45 TYR QD . . 4.330 2.832 2.633 3.216 . 0 0 "[ . 1 . 2]" 1 803 1 41 LEU QB 1 45 TYR QD . . 4.340 3.017 2.883 3.492 . 0 0 "[ . 1 . 2]" 1 804 1 41 LEU QB 1 45 TYR QE . . 5.000 2.715 2.486 3.163 . 0 0 "[ . 1 . 2]" 1 805 1 41 LEU QB 1 55 PRO HG2 . . 5.040 3.530 3.107 3.791 . 0 0 "[ . 1 . 2]" 1 806 1 41 LEU QB 1 55 PRO HG3 . . 4.140 3.090 2.736 3.328 . 0 0 "[ . 1 . 2]" 1 807 1 41 LEU QD 1 44 THR HB . . 4.730 3.311 3.185 3.589 . 0 0 "[ . 1 . 2]" 1 808 1 41 LEU QD 1 44 THR MG . . 4.870 3.498 3.308 3.758 . 0 0 "[ . 1 . 2]" 1 809 1 41 LEU QD 1 45 TYR QD . . 4.690 3.365 3.063 3.573 . 0 0 "[ . 1 . 2]" 1 810 1 41 LEU QD 1 45 TYR QE . . 3.700 2.411 1.969 2.632 . 0 0 "[ . 1 . 2]" 1 811 1 41 LEU QD 1 55 PRO HB2 . . 4.890 3.632 3.266 3.882 . 0 0 "[ . 1 . 2]" 1 812 1 41 LEU QD 1 55 PRO HB3 . . 4.590 3.842 3.517 4.072 . 0 0 "[ . 1 . 2]" 1 813 1 41 LEU QD 1 55 PRO HG2 . . 4.680 2.820 2.450 3.073 . 0 0 "[ . 1 . 2]" 1 814 1 41 LEU QD 1 55 PRO HG3 . . 4.590 2.266 2.002 2.593 . 0 0 "[ . 1 . 2]" 1 815 1 41 LEU QD 1 60 VAL HA . . 3.580 2.734 2.571 2.893 . 0 0 "[ . 1 . 2]" 1 816 1 41 LEU QD 1 60 VAL MG1 . . 3.620 3.083 2.562 3.300 . 0 0 "[ . 1 . 2]" 1 817 1 41 LEU QD 1 60 VAL MG2 . . 3.430 2.462 2.271 2.676 . 0 0 "[ . 1 . 2]" 1 818 1 41 LEU QD 1 63 TRP H . . 4.930 4.440 4.233 4.599 . 0 0 "[ . 1 . 2]" 1 819 1 41 LEU QD 1 63 TRP HB2 . . 4.150 2.922 2.591 3.128 . 0 0 "[ . 1 . 2]" 1 820 1 41 LEU QD 1 63 TRP HB3 . . 4.650 2.793 2.525 2.968 . 0 0 "[ . 1 . 2]" 1 821 1 41 LEU QD 1 63 TRP HD1 . . 3.610 3.022 2.621 3.502 . 0 0 "[ . 1 . 2]" 1 822 1 41 LEU QD 1 63 TRP HE1 . . 4.590 2.886 2.642 3.299 . 0 0 "[ . 1 . 2]" 1 823 1 41 LEU QD 1 63 TRP HZ2 . . 4.160 3.296 3.130 3.517 . 0 0 "[ . 1 . 2]" 1 824 1 41 LEU MD1 1 44 THR HB . . 5.490 5.429 5.350 5.496 0.006 12 0 "[ . 1 . 2]" 1 825 1 41 LEU MD1 1 45 TYR QD . . 5.500 4.648 4.528 5.441 . 0 0 "[ . 1 . 2]" 1 826 1 41 LEU MD1 1 45 TYR QE . . 4.530 3.511 3.270 4.451 . 0 0 "[ . 1 . 2]" 1 827 1 41 LEU MD1 1 60 VAL HA . . 4.530 2.758 2.595 2.926 . 0 0 "[ . 1 . 2]" 1 828 1 41 LEU MD1 1 60 VAL MG1 . . 4.400 3.176 2.579 3.434 . 0 0 "[ . 1 . 2]" 1 829 1 41 LEU MD1 1 60 VAL MG2 . . 4.530 2.474 2.277 2.695 . 0 0 "[ . 1 . 2]" 1 830 1 41 LEU MD1 1 63 TRP HB2 . . 4.980 3.069 2.643 3.351 . 0 0 "[ . 1 . 2]" 1 831 1 41 LEU MD1 1 63 TRP HB3 . . 5.280 2.925 2.612 3.125 . 0 0 "[ . 1 . 2]" 1 832 1 41 LEU MD1 1 63 TRP HD1 . . 4.110 3.702 3.196 4.106 . 0 0 "[ . 1 . 2]" 1 833 1 41 LEU MD1 1 63 TRP HE3 . . 4.990 4.154 3.804 4.516 . 0 0 "[ . 1 . 2]" 1 834 1 41 LEU MD1 1 63 TRP HZ2 . . 5.500 5.482 5.383 5.507 0.007 17 0 "[ . 1 . 2]" 1 835 1 41 LEU MD2 1 44 THR HB . . 5.490 3.341 3.209 3.638 . 0 0 "[ . 1 . 2]" 1 836 1 41 LEU MD2 1 45 TYR QD . . 5.500 3.462 3.095 3.730 . 0 0 "[ . 1 . 2]" 1 837 1 41 LEU MD2 1 45 TYR QE . . 4.530 2.468 1.972 2.717 . 0 0 "[ . 1 . 2]" 1 838 1 41 LEU MD2 1 60 VAL HA . . 4.530 4.504 4.186 4.538 0.008 17 0 "[ . 1 . 2]" 1 839 1 41 LEU MD2 1 60 VAL MG1 . . 4.400 4.233 4.056 4.399 . 0 0 "[ . 1 . 2]" 1 840 1 41 LEU MD2 1 60 VAL MG2 . . 4.530 4.503 4.406 4.540 0.010 18 0 "[ . 1 . 2]" 1 841 1 41 LEU MD2 1 63 TRP HB2 . . 4.980 3.727 3.048 4.005 . 0 0 "[ . 1 . 2]" 1 842 1 41 LEU MD2 1 63 TRP HB3 . . 5.280 3.546 3.330 3.709 . 0 0 "[ . 1 . 2]" 1 843 1 41 LEU MD2 1 63 TRP HD1 . . 4.110 3.238 2.652 3.797 . 0 0 "[ . 1 . 2]" 1 844 1 41 LEU MD2 1 63 TRP HE3 . . 4.990 3.764 3.142 4.271 . 0 0 "[ . 1 . 2]" 1 845 1 41 LEU MD2 1 63 TRP HZ2 . . 5.500 3.323 3.148 3.559 . 0 0 "[ . 1 . 2]" 1 846 1 41 LEU HG 1 45 TYR QD . . 5.500 5.495 5.383 5.506 0.006 17 0 "[ . 1 . 2]" 1 847 1 41 LEU HG 1 45 TYR QE . . 5.500 4.955 4.661 5.280 . 0 0 "[ . 1 . 2]" 1 848 1 42 LYS H 1 42 LYS QB . . 3.330 2.103 2.040 2.178 . 0 0 "[ . 1 . 2]" 1 849 1 42 LYS H 1 43 ASP H . . 3.940 2.878 2.727 3.001 . 0 0 "[ . 1 . 2]" 1 850 1 42 LYS HA 1 42 LYS QE . . 5.340 4.447 3.663 4.826 . 0 0 "[ . 1 . 2]" 1 851 1 42 LYS HA 1 45 TYR H . . 4.430 4.101 3.985 4.175 . 0 0 "[ . 1 . 2]" 1 852 1 42 LYS HA 1 45 TYR QB . . 4.730 3.367 3.154 3.610 . 0 0 "[ . 1 . 2]" 1 853 1 42 LYS HA 1 45 TYR QD . . 4.740 4.698 4.551 4.751 0.011 17 0 "[ . 1 . 2]" 1 854 1 42 LYS HA 1 52 ASN QD . . 3.940 3.491 2.593 3.940 . 0 0 "[ . 1 . 2]" 1 855 1 42 LYS HA 1 55 PRO HD2 . . 4.860 4.668 4.031 4.864 0.004 10 0 "[ . 1 . 2]" 1 856 1 42 LYS QB 1 43 ASP H . . 3.500 2.370 2.116 2.620 . 0 0 "[ . 1 . 2]" 1 857 1 42 LYS QE 1 42 LYS QG . . 3.270 2.200 2.033 2.351 . 0 0 "[ . 1 . 2]" 1 858 1 42 LYS QE 1 54 THR HA . . 5.180 4.560 2.772 5.153 . 0 0 "[ . 1 . 2]" 1 859 1 42 LYS QE 1 54 THR MG . . 4.030 2.914 1.835 3.857 . 0 0 "[ . 1 . 2]" 1 860 1 42 LYS QG 1 43 ASP HA . . 5.190 4.539 4.168 5.130 . 0 0 "[ . 1 . 2]" 1 861 1 42 LYS QG 1 55 PRO HD2 . . 4.590 4.497 4.103 4.591 0.001 3 0 "[ . 1 . 2]" 1 862 1 43 ASP H 1 43 ASP HB2 . . 3.650 2.470 2.129 2.728 . 0 0 "[ . 1 . 2]" 1 863 1 43 ASP H 1 43 ASP QB . . 3.070 2.247 2.108 2.312 . 0 0 "[ . 1 . 2]" 1 864 1 43 ASP H 1 43 ASP HB3 . . 3.650 2.811 2.453 3.532 . 0 0 "[ . 1 . 2]" 1 865 1 43 ASP H 1 44 THR H . . 3.950 2.470 2.358 2.565 . 0 0 "[ . 1 . 2]" 1 866 1 43 ASP H 1 46 ALA MB . . 5.110 4.838 4.537 5.040 . 0 0 "[ . 1 . 2]" 1 867 1 43 ASP HA 1 46 ALA H . . 4.390 3.339 3.063 3.542 . 0 0 "[ . 1 . 2]" 1 868 1 43 ASP HA 1 46 ALA MB . . 3.080 2.612 2.315 2.892 . 0 0 "[ . 1 . 2]" 1 869 1 43 ASP QB 1 44 THR H . . 3.900 2.558 2.421 2.947 . 0 0 "[ . 1 . 2]" 1 870 1 43 ASP HB2 1 44 THR H . . 4.520 3.549 2.669 3.918 . 0 0 "[ . 1 . 2]" 1 871 1 43 ASP HB2 1 46 ALA MB . . 5.500 4.852 4.408 5.302 . 0 0 "[ . 1 . 2]" 1 872 1 43 ASP HB3 1 44 THR H . . 4.520 2.732 2.454 3.508 . 0 0 "[ . 1 . 2]" 1 873 1 43 ASP HB3 1 46 ALA MB . . 5.500 4.962 4.273 5.357 . 0 0 "[ . 1 . 2]" 1 874 1 44 THR H 1 44 THR HB . . 3.970 2.612 2.521 2.713 . 0 0 "[ . 1 . 2]" 1 875 1 44 THR H 1 44 THR MG . . 4.330 3.765 3.752 3.768 . 0 0 "[ . 1 . 2]" 1 876 1 44 THR HA 1 44 THR MG . . 3.090 2.322 2.234 2.407 . 0 0 "[ . 1 . 2]" 1 877 1 44 THR HA 1 45 TYR QD . . 5.500 4.846 4.641 5.007 . 0 0 "[ . 1 . 2]" 1 878 1 44 THR HA 1 47 GLU QB . . 3.570 3.002 2.536 3.512 . 0 0 "[ . 1 . 2]" 1 879 1 44 THR HA 1 47 GLU QG . . 3.790 2.851 2.083 3.603 . 0 0 "[ . 1 . 2]" 1 880 1 44 THR HB 1 45 TYR H . . 3.700 2.801 2.317 2.915 . 0 0 "[ . 1 . 2]" 1 881 1 44 THR HB 1 45 TYR QD . . 4.050 2.671 2.436 2.845 . 0 0 "[ . 1 . 2]" 1 882 1 44 THR HB 1 45 TYR QE . . 5.020 4.126 3.785 4.394 . 0 0 "[ . 1 . 2]" 1 883 1 44 THR MG 1 45 TYR H . . 4.100 3.648 3.163 3.805 . 0 0 "[ . 1 . 2]" 1 884 1 44 THR MG 1 45 TYR QD . . 4.560 3.187 3.001 3.378 . 0 0 "[ . 1 . 2]" 1 885 1 44 THR MG 1 48 MET ME . . 3.840 2.905 2.021 3.597 . 0 0 "[ . 1 . 2]" 1 886 1 44 THR MG 1 48 MET QG . . 4.580 4.401 4.010 4.582 0.002 15 0 "[ . 1 . 2]" 1 887 1 44 THR MG 1 63 TRP HZ2 . . 5.400 3.937 3.407 4.364 . 0 0 "[ . 1 . 2]" 1 888 1 44 THR MG 1 80 TYR QE . . 4.220 3.249 2.562 3.816 . 0 0 "[ . 1 . 2]" 1 889 1 44 THR MG 1 84 ILE MD . . 4.810 4.251 3.776 4.559 . 0 0 "[ . 1 . 2]" 1 890 1 45 TYR H 1 45 TYR QB . . 3.450 2.177 2.140 2.218 . 0 0 "[ . 1 . 2]" 1 891 1 45 TYR H 1 45 TYR QD . . 4.440 2.479 2.146 2.672 . 0 0 "[ . 1 . 2]" 1 892 1 45 TYR H 1 46 ALA H . . 3.730 2.570 2.356 2.762 . 0 0 "[ . 1 . 2]" 1 893 1 45 TYR HA 1 45 TYR QD . . 3.860 2.818 2.691 2.965 . 0 0 "[ . 1 . 2]" 1 894 1 45 TYR HA 1 45 TYR QE . . 5.440 4.450 4.399 4.491 . 0 0 "[ . 1 . 2]" 1 895 1 45 TYR HA 1 48 MET H . . 4.180 3.834 3.558 4.023 . 0 0 "[ . 1 . 2]" 1 896 1 45 TYR HA 1 48 MET ME . . 4.110 2.418 2.050 2.743 . 0 0 "[ . 1 . 2]" 1 897 1 45 TYR HA 1 50 MET ME . . 4.290 3.576 2.686 4.102 . 0 0 "[ . 1 . 2]" 1 898 1 45 TYR QB 1 46 ALA H . . 3.630 2.569 2.326 2.964 . 0 0 "[ . 1 . 2]" 1 899 1 45 TYR QB 1 50 MET QB . . 3.900 2.228 1.952 2.866 . 0 0 "[ . 1 . 2]" 1 900 1 45 TYR QB 1 50 MET ME . . 4.360 4.073 3.296 4.366 0.006 17 0 "[ . 1 . 2]" 1 901 1 45 TYR QD 1 48 MET ME . . 4.020 3.846 3.369 4.022 0.002 1 0 "[ . 1 . 2]" 1 902 1 45 TYR QD 1 50 MET HA . . 5.500 5.196 4.892 5.470 . 0 0 "[ . 1 . 2]" 1 903 1 45 TYR QD 1 50 MET HB2 . . 4.290 3.477 2.826 3.909 . 0 0 "[ . 1 . 2]" 1 904 1 45 TYR QD 1 50 MET HB3 . . 4.290 2.680 2.423 2.891 . 0 0 "[ . 1 . 2]" 1 905 1 45 TYR QD 1 50 MET ME . . 3.970 3.391 2.817 3.691 . 0 0 "[ . 1 . 2]" 1 906 1 45 TYR QD 1 50 MET QG . . 5.180 3.121 1.977 4.220 . 0 0 "[ . 1 . 2]" 1 907 1 45 TYR QD 1 53 PHE H . . 4.400 3.133 2.577 3.490 . 0 0 "[ . 1 . 2]" 1 908 1 45 TYR QD 1 53 PHE HB2 . . 4.940 4.869 4.360 4.941 0.001 20 0 "[ . 1 . 2]" 1 909 1 45 TYR QD 1 53 PHE HB3 . . 4.940 4.267 3.798 4.440 . 0 0 "[ . 1 . 2]" 1 910 1 45 TYR QE 1 48 MET ME . . 4.530 4.404 3.701 4.532 0.002 5 0 "[ . 1 . 2]" 1 911 1 45 TYR QE 1 50 MET ME . . 3.710 3.471 2.837 3.710 0.000 18 0 "[ . 1 . 2]" 1 912 1 45 TYR QE 1 53 PHE QB . . 4.500 3.863 3.088 4.134 . 0 0 "[ . 1 . 2]" 1 913 1 46 ALA H 1 46 ALA MB . . 3.060 2.075 2.025 2.221 . 0 0 "[ . 1 . 2]" 1 914 1 46 ALA H 1 47 GLU QB . . 4.830 4.501 4.248 4.645 . 0 0 "[ . 1 . 2]" 1 915 1 46 ALA H 1 48 MET H . . 4.620 4.364 4.179 4.578 . 0 0 "[ . 1 . 2]" 1 916 1 46 ALA HA 1 49 GLY HA2 . . 3.940 3.523 3.131 3.860 . 0 0 "[ . 1 . 2]" 1 917 1 46 ALA HA 1 50 MET H . . 3.840 2.950 2.634 3.525 . 0 0 "[ . 1 . 2]" 1 918 1 46 ALA MB 1 47 GLU H . . 3.630 2.932 2.782 2.998 . 0 0 "[ . 1 . 2]" 1 919 1 46 ALA MB 1 47 GLU HA . . 4.590 3.807 3.760 3.865 . 0 0 "[ . 1 . 2]" 1 920 1 46 ALA MB 1 49 GLY HA2 . . 4.690 4.337 4.080 4.672 . 0 0 "[ . 1 . 2]" 1 921 1 47 GLU H 1 47 GLU QB . . 3.050 2.226 2.049 2.457 . 0 0 "[ . 1 . 2]" 1 922 1 47 GLU H 1 47 GLU QG . . 3.670 2.781 2.152 3.672 0.002 15 0 "[ . 1 . 2]" 1 923 1 47 GLU H 1 48 MET H . . 3.510 2.721 2.617 2.860 . 0 0 "[ . 1 . 2]" 1 924 1 47 GLU HA 1 47 GLU QG . . 3.190 2.460 2.075 3.018 . 0 0 "[ . 1 . 2]" 1 925 1 47 GLU QB 1 47 GLU QG . . 2.300 2.019 1.970 2.083 . 0 0 "[ . 1 . 2]" 1 926 1 47 GLU QB 1 48 MET H . . 3.240 2.842 2.390 2.953 . 0 0 "[ . 1 . 2]" 1 927 1 47 GLU QB 1 49 GLY H . . 5.130 4.517 4.287 4.607 . 0 0 "[ . 1 . 2]" 1 928 1 48 MET H 1 48 MET QG . . 3.580 2.363 1.920 3.571 . 0 0 "[ . 1 . 2]" 1 929 1 48 MET H 1 49 GLY H . . 3.640 2.427 2.061 2.598 . 0 0 "[ . 1 . 2]" 1 930 1 48 MET H 1 50 MET H . . 4.040 3.209 2.982 3.780 . 0 0 "[ . 1 . 2]" 1 931 1 48 MET HA 1 48 MET ME . . 5.100 4.684 4.304 5.038 . 0 0 "[ . 1 . 2]" 1 932 1 48 MET HA 1 48 MET HG2 . . 3.900 2.980 2.535 3.715 . 0 0 "[ . 1 . 2]" 1 933 1 48 MET HA 1 48 MET QG . . 3.320 2.711 2.178 3.326 0.006 11 0 "[ . 1 . 2]" 1 934 1 48 MET HA 1 48 MET HG3 . . 3.900 3.232 2.201 3.788 . 0 0 "[ . 1 . 2]" 1 935 1 48 MET QG 1 50 MET ME . . 4.700 3.938 3.285 4.683 . 0 0 "[ . 1 . 2]" 1 936 1 48 MET HG2 1 50 MET ME . . 5.500 4.715 3.852 5.497 . 0 0 "[ . 1 . 2]" 1 937 1 48 MET HG3 1 50 MET ME . . 5.500 4.270 3.459 5.104 . 0 0 "[ . 1 . 2]" 1 938 1 49 GLY H 1 50 MET H . . 3.550 2.496 2.190 2.625 . 0 0 "[ . 1 . 2]" 1 939 1 50 MET H 1 50 MET HB2 . . 3.780 2.232 2.106 2.417 . 0 0 "[ . 1 . 2]" 1 940 1 50 MET H 1 50 MET QB . . 3.310 2.194 2.072 2.381 . 0 0 "[ . 1 . 2]" 1 941 1 50 MET H 1 50 MET HB3 . . 3.780 3.260 2.935 3.579 . 0 0 "[ . 1 . 2]" 1 942 1 50 MET H 1 50 MET HG2 . . 5.170 3.817 2.375 4.630 . 0 0 "[ . 1 . 2]" 1 943 1 50 MET H 1 50 MET QG . . 4.460 3.314 2.331 4.036 . 0 0 "[ . 1 . 2]" 1 944 1 50 MET H 1 50 MET HG3 . . 5.170 3.828 2.644 4.488 . 0 0 "[ . 1 . 2]" 1 945 1 50 MET HA 1 50 MET HG2 . . 3.810 2.922 2.196 3.622 . 0 0 "[ . 1 . 2]" 1 946 1 50 MET HA 1 50 MET QG . . 3.320 2.391 2.131 2.655 . 0 0 "[ . 1 . 2]" 1 947 1 50 MET HA 1 50 MET HG3 . . 3.810 2.926 2.233 3.740 . 0 0 "[ . 1 . 2]" 1 948 1 50 MET HA 1 51 SER H . . 3.170 2.509 2.410 2.545 . 0 0 "[ . 1 . 2]" 1 949 1 50 MET HA 1 52 ASN H . . 4.260 4.067 3.975 4.189 . 0 0 "[ . 1 . 2]" 1 950 1 50 MET QB 1 51 SER H . . 3.900 2.505 2.111 3.012 . 0 0 "[ . 1 . 2]" 1 951 1 50 MET HB2 1 51 SER H . . 4.580 3.746 3.459 4.003 . 0 0 "[ . 1 . 2]" 1 952 1 50 MET HB3 1 51 SER H . . 4.580 2.552 2.128 3.115 . 0 0 "[ . 1 . 2]" 1 953 1 50 MET QG 1 51 SER H . . 4.300 2.825 1.923 4.102 . 0 0 "[ . 1 . 2]" 1 954 1 51 SER H 1 51 SER QB . . 3.180 2.365 2.167 2.751 . 0 0 "[ . 1 . 2]" 1 955 1 51 SER H 1 52 ASN H . . 3.920 2.617 2.519 2.707 . 0 0 "[ . 1 . 2]" 1 956 1 51 SER HA 1 51 SER QB . . 2.620 2.339 2.187 2.479 . 0 0 "[ . 1 . 2]" 1 957 1 51 SER HA 1 52 ASN H . . 3.500 3.396 3.294 3.461 . 0 0 "[ . 1 . 2]" 1 958 1 52 ASN H 1 52 ASN HB2 . . 3.920 3.186 3.081 3.805 . 0 0 "[ . 1 . 2]" 1 959 1 52 ASN H 1 52 ASN HB3 . . 3.920 3.783 3.674 4.078 0.158 10 0 "[ . 1 . 2]" 1 960 1 52 ASN H 1 53 PHE H . . 3.650 2.843 2.674 3.046 . 0 0 "[ . 1 . 2]" 1 961 1 53 PHE H 1 53 PHE HB2 . . 3.210 2.604 2.493 2.745 . 0 0 "[ . 1 . 2]" 1 962 1 53 PHE H 1 53 PHE QB . . 2.790 2.268 2.254 2.307 . 0 0 "[ . 1 . 2]" 1 963 1 53 PHE H 1 53 PHE HB3 . . 3.210 2.498 2.474 2.570 . 0 0 "[ . 1 . 2]" 1 964 1 53 PHE HA 1 53 PHE QD . . 3.590 2.559 2.425 2.683 . 0 0 "[ . 1 . 2]" 1 965 1 53 PHE HA 1 53 PHE QE . . 4.700 4.546 4.497 4.592 . 0 0 "[ . 1 . 2]" 1 966 1 53 PHE HA 1 54 THR H . . 2.930 2.297 2.295 2.301 . 0 0 "[ . 1 . 2]" 1 967 1 53 PHE QB 1 54 THR H . . 4.040 3.442 3.438 3.445 . 0 0 "[ . 1 . 2]" 1 968 1 53 PHE HB2 1 54 THR H . . 4.730 3.924 3.916 3.927 . 0 0 "[ . 1 . 2]" 1 969 1 53 PHE HB3 1 54 THR H . . 4.730 3.810 3.806 3.813 . 0 0 "[ . 1 . 2]" 1 970 1 53 PHE QD 1 54 THR H . . 4.350 2.940 2.781 3.048 . 0 0 "[ . 1 . 2]" 1 971 1 53 PHE QD 1 55 PRO HA . . 4.740 3.406 3.289 3.540 . 0 0 "[ . 1 . 2]" 1 972 1 53 PHE QD 1 55 PRO HB3 . . 4.150 3.105 3.041 3.199 . 0 0 "[ . 1 . 2]" 1 973 1 53 PHE QD 1 55 PRO HD2 . . 4.940 4.345 4.156 4.549 . 0 0 "[ . 1 . 2]" 1 974 1 53 PHE QD 1 55 PRO HD3 . . 4.380 2.735 2.552 2.944 . 0 0 "[ . 1 . 2]" 1 975 1 53 PHE QE 1 55 PRO HA . . 3.900 2.298 2.119 2.506 . 0 0 "[ . 1 . 2]" 1 976 1 53 PHE QE 1 55 PRO HB3 . . 4.020 3.270 3.212 3.365 . 0 0 "[ . 1 . 2]" 1 977 1 53 PHE QE 1 55 PRO HG3 . . 5.380 5.175 5.096 5.283 . 0 0 "[ . 1 . 2]" 1 978 1 53 PHE HZ 1 55 PRO HA . . 4.070 4.069 4.060 4.073 0.003 17 0 "[ . 1 . 2]" 1 979 1 54 THR H 1 54 THR HB . . 3.830 3.143 2.600 3.681 . 0 0 "[ . 1 . 2]" 1 980 1 54 THR H 1 54 THR MG . . 4.000 3.518 2.997 3.871 . 0 0 "[ . 1 . 2]" 1 981 1 54 THR HA 1 54 THR MG . . 3.180 2.172 2.035 2.393 . 0 0 "[ . 1 . 2]" 1 982 1 54 THR HA 1 55 PRO HD2 . . 3.400 1.939 1.938 1.940 . 0 0 "[ . 1 . 2]" 1 983 1 54 THR HA 1 55 PRO HD3 . . 3.510 2.644 2.643 2.646 . 0 0 "[ . 1 . 2]" 1 984 1 54 THR HA 1 55 PRO HG2 . . 4.230 4.126 4.125 4.126 . 0 0 "[ . 1 . 2]" 1 985 1 54 THR HA 1 55 PRO HG3 . . 4.700 4.466 4.465 4.468 . 0 0 "[ . 1 . 2]" 1 986 1 54 THR HB 1 55 PRO HD2 . . 4.850 4.366 3.959 4.725 . 0 0 "[ . 1 . 2]" 1 987 1 54 THR MG 1 55 PRO HD2 . . 3.840 3.341 3.017 3.682 . 0 0 "[ . 1 . 2]" 1 988 1 54 THR MG 1 55 PRO HD3 . . 4.360 4.292 4.189 4.363 0.003 20 0 "[ . 1 . 2]" 1 989 1 55 PRO HA 1 56 THR H . . 3.300 2.480 2.202 2.635 . 0 0 "[ . 1 . 2]" 1 990 1 55 PRO HA 1 56 THR MG . . 4.010 3.454 3.256 3.868 . 0 0 "[ . 1 . 2]" 1 991 1 55 PRO HA 1 59 ASP HB2 . . 4.620 3.599 3.054 4.251 . 0 0 "[ . 1 . 2]" 1 992 1 55 PRO HA 1 59 ASP QB . . 3.790 3.286 2.929 3.623 . 0 0 "[ . 1 . 2]" 1 993 1 55 PRO HA 1 59 ASP HB3 . . 4.620 3.951 3.317 4.339 . 0 0 "[ . 1 . 2]" 1 994 1 55 PRO HA 1 60 VAL MG2 . . 5.430 4.913 4.730 5.051 . 0 0 "[ . 1 . 2]" 1 995 1 55 PRO HB2 1 56 THR H . . 4.260 2.439 2.078 3.224 . 0 0 "[ . 1 . 2]" 1 996 1 55 PRO HB2 1 59 ASP QB . . 4.400 1.950 1.894 1.997 . 0 0 "[ . 1 . 2]" 1 997 1 55 PRO HB2 1 60 VAL HA . . 5.200 4.402 4.269 4.491 . 0 0 "[ . 1 . 2]" 1 998 1 55 PRO HB2 1 60 VAL MG2 . . 3.730 2.725 2.496 2.884 . 0 0 "[ . 1 . 2]" 1 999 1 55 PRO HB3 1 56 THR H . . 4.380 3.377 3.211 3.799 . 0 0 "[ . 1 . 2]" 1 1000 1 55 PRO HB3 1 59 ASP QB . . 3.510 2.471 2.266 2.718 . 0 0 "[ . 1 . 2]" 1 1001 1 55 PRO HB3 1 60 VAL HA . . 5.500 5.488 5.434 5.504 0.004 16 0 "[ . 1 . 2]" 1 1002 1 55 PRO HB3 1 60 VAL MG2 . . 4.590 4.145 3.902 4.332 . 0 0 "[ . 1 . 2]" 1 1003 1 55 PRO HG2 1 60 VAL MG2 . . 4.420 2.842 2.387 3.107 . 0 0 "[ . 1 . 2]" 1 1004 1 55 PRO HG3 1 60 VAL MG2 . . 4.510 3.687 3.291 3.999 . 0 0 "[ . 1 . 2]" 1 1005 1 56 THR H 1 56 THR MG . . 3.600 2.740 2.373 2.985 . 0 0 "[ . 1 . 2]" 1 1006 1 56 THR H 1 59 ASP H . . 4.170 3.064 2.911 3.370 . 0 0 "[ . 1 . 2]" 1 1007 1 56 THR H 1 59 ASP HB2 . . 4.370 2.461 1.951 3.330 . 0 0 "[ . 1 . 2]" 1 1008 1 56 THR H 1 59 ASP QB . . 3.800 2.208 1.943 2.527 . 0 0 "[ . 1 . 2]" 1 1009 1 56 THR H 1 59 ASP HB3 . . 4.370 3.232 2.042 4.096 . 0 0 "[ . 1 . 2]" 1 1010 1 56 THR HA 1 56 THR HB . . 2.790 2.446 2.387 2.597 . 0 0 "[ . 1 . 2]" 1 1011 1 56 THR HA 1 56 THR MG . . 2.770 2.345 2.215 2.440 . 0 0 "[ . 1 . 2]" 1 1012 1 56 THR HA 1 57 LYS H . . 3.160 2.623 2.561 2.636 . 0 0 "[ . 1 . 2]" 1 1013 1 56 THR HA 1 58 GLU H . . 4.540 4.265 4.227 4.321 . 0 0 "[ . 1 . 2]" 1 1014 1 56 THR HB 1 57 LYS H . . 3.170 1.996 1.955 2.069 . 0 0 "[ . 1 . 2]" 1 1015 1 56 THR HB 1 58 GLU H . . 3.570 3.055 2.600 3.231 . 0 0 "[ . 1 . 2]" 1 1016 1 56 THR HB 1 59 ASP H . . 4.740 4.576 3.973 4.742 0.002 15 0 "[ . 1 . 2]" 1 1017 1 56 THR MG 1 57 LYS H . . 3.850 3.571 3.239 3.682 . 0 0 "[ . 1 . 2]" 1 1018 1 57 LYS H 1 57 LYS HB2 . . 3.630 2.910 2.156 3.589 . 0 0 "[ . 1 . 2]" 1 1019 1 57 LYS H 1 57 LYS QB . . 3.010 2.329 2.108 2.591 . 0 0 "[ . 1 . 2]" 1 1020 1 57 LYS H 1 57 LYS HB3 . . 3.630 2.746 2.370 3.586 . 0 0 "[ . 1 . 2]" 1 1021 1 57 LYS H 1 57 LYS HG2 . . 5.130 3.309 1.960 4.615 . 0 0 "[ . 1 . 2]" 1 1022 1 57 LYS H 1 57 LYS QG . . 4.360 2.935 1.938 4.047 . 0 0 "[ . 1 . 2]" 1 1023 1 57 LYS H 1 57 LYS HG3 . . 5.130 3.693 2.174 4.496 . 0 0 "[ . 1 . 2]" 1 1024 1 57 LYS H 1 58 GLU H . . 3.560 2.709 2.652 2.764 . 0 0 "[ . 1 . 2]" 1 1025 1 57 LYS HA 1 57 LYS QB . . 2.630 2.310 2.178 2.491 . 0 0 "[ . 1 . 2]" 1 1026 1 57 LYS HA 1 60 VAL HB . . 3.320 2.831 2.588 3.027 . 0 0 "[ . 1 . 2]" 1 1027 1 57 LYS HA 1 60 VAL MG1 . . 4.250 4.049 3.955 4.222 . 0 0 "[ . 1 . 2]" 1 1028 1 57 LYS HA 1 60 VAL MG2 . . 3.280 2.844 2.439 3.280 . 11 0 "[ . 1 . 2]" 1 1029 1 57 LYS QB 1 57 LYS QD . . 2.740 2.189 2.063 2.502 . 0 0 "[ . 1 . 2]" 1 1030 1 57 LYS QB 1 58 GLU H . . 4.200 3.196 2.804 3.610 . 0 0 "[ . 1 . 2]" 1 1031 1 57 LYS HB2 1 58 GLU H . . 4.870 3.815 2.868 4.140 . 0 0 "[ . 1 . 2]" 1 1032 1 57 LYS HB3 1 58 GLU H . . 4.870 3.581 2.867 4.165 . 0 0 "[ . 1 . 2]" 1 1033 1 57 LYS QD 1 57 LYS QG . . 2.290 2.043 2.018 2.090 . 0 0 "[ . 1 . 2]" 1 1034 1 58 GLU H 1 58 GLU HB2 . . 3.420 2.439 2.200 2.719 . 0 0 "[ . 1 . 2]" 1 1035 1 58 GLU H 1 58 GLU QB . . 2.890 2.234 2.141 2.271 . 0 0 "[ . 1 . 2]" 1 1036 1 58 GLU H 1 58 GLU HB3 . . 3.420 2.662 2.407 2.936 . 0 0 "[ . 1 . 2]" 1 1037 1 58 GLU H 1 58 GLU QG . . 4.390 3.975 3.877 4.064 . 0 0 "[ . 1 . 2]" 1 1038 1 58 GLU H 1 59 ASP H . . 3.250 2.720 2.507 2.805 . 0 0 "[ . 1 . 2]" 1 1039 1 58 GLU HA 1 58 GLU HG2 . . 3.900 3.190 2.572 3.763 . 0 0 "[ . 1 . 2]" 1 1040 1 58 GLU HA 1 58 GLU QG . . 3.110 2.431 2.094 3.041 . 0 0 "[ . 1 . 2]" 1 1041 1 58 GLU HA 1 58 GLU HG3 . . 3.900 2.560 2.118 3.222 . 0 0 "[ . 1 . 2]" 1 1042 1 58 GLU HA 1 62 ILE MD . . 4.050 3.826 3.703 4.044 . 0 0 "[ . 1 . 2]" 1 1043 1 58 GLU QB 1 58 GLU QG . . 2.350 2.057 1.981 2.086 . 0 0 "[ . 1 . 2]" 1 1044 1 58 GLU QB 1 59 ASP H . . 3.130 2.179 2.080 2.552 . 0 0 "[ . 1 . 2]" 1 1045 1 58 GLU QB 1 62 ILE MD . . 4.170 3.793 3.514 4.078 . 0 0 "[ . 1 . 2]" 1 1046 1 58 GLU HB2 1 59 ASP H . . 3.970 3.533 3.365 3.838 . 0 0 "[ . 1 . 2]" 1 1047 1 58 GLU HB3 1 59 ASP H . . 3.970 2.201 2.098 2.591 . 0 0 "[ . 1 . 2]" 1 1048 1 58 GLU QG 1 62 ILE MD . . 3.750 2.553 2.217 2.899 . 0 0 "[ . 1 . 2]" 1 1049 1 58 GLU HG2 1 62 ILE MD . . 4.360 2.937 2.282 4.054 . 0 0 "[ . 1 . 2]" 1 1050 1 58 GLU HG3 1 62 ILE MD . . 4.360 3.343 2.463 4.236 . 0 0 "[ . 1 . 2]" 1 1051 1 59 ASP H 1 59 ASP HB2 . . 3.660 2.305 2.101 2.739 . 0 0 "[ . 1 . 2]" 1 1052 1 59 ASP H 1 59 ASP QB . . 3.110 2.200 2.070 2.406 . 0 0 "[ . 1 . 2]" 1 1053 1 59 ASP H 1 59 ASP HB3 . . 3.660 3.190 2.343 3.587 . 0 0 "[ . 1 . 2]" 1 1054 1 59 ASP H 1 60 VAL H . . 3.360 2.803 2.459 2.876 . 0 0 "[ . 1 . 2]" 1 1055 1 59 ASP H 1 60 VAL MG2 . . 4.950 4.223 3.951 4.315 . 0 0 "[ . 1 . 2]" 1 1056 1 59 ASP H 1 62 ILE MD . . 5.130 3.746 3.670 4.094 . 0 0 "[ . 1 . 2]" 1 1057 1 59 ASP HA 1 60 VAL MG2 . . 5.500 4.951 4.865 5.046 . 0 0 "[ . 1 . 2]" 1 1058 1 59 ASP HA 1 62 ILE H . . 4.530 3.561 3.423 3.683 . 0 0 "[ . 1 . 2]" 1 1059 1 59 ASP HA 1 62 ILE HB . . 3.510 3.369 3.308 3.424 . 0 0 "[ . 1 . 2]" 1 1060 1 59 ASP HA 1 62 ILE MD . . 3.470 1.928 1.887 1.970 . 0 0 "[ . 1 . 2]" 1 1061 1 59 ASP HA 1 62 ILE MG . . 4.660 4.663 4.634 4.676 0.016 16 0 "[ . 1 . 2]" 1 1062 1 59 ASP QB 1 60 VAL H . . 3.640 2.618 2.377 2.971 . 0 0 "[ . 1 . 2]" 1 1063 1 59 ASP QB 1 62 ILE MD . . 5.340 3.753 3.569 3.889 . 0 0 "[ . 1 . 2]" 1 1064 1 59 ASP HB2 1 60 VAL H . . 4.400 3.200 2.621 4.041 . 0 0 "[ . 1 . 2]" 1 1065 1 59 ASP HB2 1 60 VAL MG2 . . 5.500 3.970 3.353 4.856 . 0 0 "[ . 1 . 2]" 1 1066 1 59 ASP HB3 1 60 VAL H . . 4.400 3.022 2.407 3.653 . 0 0 "[ . 1 . 2]" 1 1067 1 59 ASP HB3 1 60 VAL MG2 . . 5.500 3.555 3.054 4.153 . 0 0 "[ . 1 . 2]" 1 1068 1 60 VAL H 1 60 VAL HB . . 3.340 2.563 2.499 2.619 . 0 0 "[ . 1 . 2]" 1 1069 1 60 VAL H 1 60 VAL MG2 . . 3.270 2.126 1.929 2.445 . 0 0 "[ . 1 . 2]" 1 1070 1 60 VAL HA 1 60 VAL MG1 . . 3.340 2.322 2.282 2.352 . 0 0 "[ . 1 . 2]" 1 1071 1 60 VAL HA 1 60 VAL MG2 . . 3.130 2.385 2.280 2.433 . 0 0 "[ . 1 . 2]" 1 1072 1 60 VAL HA 1 63 TRP HA . . 5.500 5.376 5.198 5.502 0.002 20 0 "[ . 1 . 2]" 1 1073 1 60 VAL HA 1 63 TRP HB2 . . 3.880 3.549 3.172 3.799 . 0 0 "[ . 1 . 2]" 1 1074 1 60 VAL HA 1 63 TRP HB3 . . 3.940 2.704 2.505 2.816 . 0 0 "[ . 1 . 2]" 1 1075 1 60 VAL HB 1 61 LYS H . . 3.830 2.714 2.549 2.917 . 0 0 "[ . 1 . 2]" 1 1076 1 60 VAL MG1 1 61 LYS H . . 4.630 3.569 3.417 3.715 . 0 0 "[ . 1 . 2]" 1 1077 1 60 VAL MG1 1 61 LYS HA . . 3.850 3.624 3.460 3.720 . 0 0 "[ . 1 . 2]" 1 1078 1 60 VAL MG1 1 63 TRP HB2 . . 5.500 4.680 4.268 4.918 . 0 0 "[ . 1 . 2]" 1 1079 1 60 VAL MG1 1 63 TRP HB3 . . 4.640 3.295 3.074 3.497 . 0 0 "[ . 1 . 2]" 1 1080 1 60 VAL MG1 1 64 LEU H . . 4.940 3.826 3.538 4.103 . 0 0 "[ . 1 . 2]" 1 1081 1 60 VAL MG1 1 64 LEU QB . . 5.210 3.100 2.707 3.583 . 0 0 "[ . 1 . 2]" 1 1082 1 60 VAL MG2 1 61 LYS H . . 4.030 3.870 3.774 3.942 . 0 0 "[ . 1 . 2]" 1 1083 1 60 VAL MG2 1 63 TRP HB2 . . 5.500 5.142 4.894 5.350 . 0 0 "[ . 1 . 2]" 1 1084 1 60 VAL MG2 1 63 TRP HB3 . . 4.910 4.477 4.299 4.591 . 0 0 "[ . 1 . 2]" 1 1085 1 61 LYS H 1 61 LYS QB . . 2.810 2.280 2.153 2.462 . 0 0 "[ . 1 . 2]" 1 1086 1 61 LYS H 1 61 LYS QG . . 4.490 3.271 2.197 4.055 . 0 0 "[ . 1 . 2]" 1 1087 1 61 LYS H 1 62 ILE H . . 3.770 2.776 2.587 2.903 . 0 0 "[ . 1 . 2]" 1 1088 1 61 LYS HA 1 61 LYS QD . . 3.260 2.478 2.030 3.395 0.135 13 0 "[ . 1 . 2]" 1 1089 1 61 LYS HA 1 61 LYS QG . . 3.680 2.614 2.195 3.424 . 0 0 "[ . 1 . 2]" 1 1090 1 61 LYS HA 1 64 LEU H . . 4.090 3.373 3.236 3.742 . 0 0 "[ . 1 . 2]" 1 1091 1 61 LYS HA 1 64 LEU HB2 . . 3.940 3.192 2.744 3.943 0.003 16 0 "[ . 1 . 2]" 1 1092 1 61 LYS HA 1 64 LEU QB . . 3.430 2.703 2.381 2.910 . 0 0 "[ . 1 . 2]" 1 1093 1 61 LYS HA 1 64 LEU HB3 . . 3.940 3.059 2.408 3.522 . 0 0 "[ . 1 . 2]" 1 1094 1 61 LYS HA 1 64 LEU QD . . 4.280 3.410 3.136 3.685 . 0 0 "[ . 1 . 2]" 1 1095 1 62 ILE H 1 62 ILE HB . . 3.310 2.546 2.498 2.600 . 0 0 "[ . 1 . 2]" 1 1096 1 62 ILE H 1 62 ILE HG12 . . 4.940 3.810 3.680 3.982 . 0 0 "[ . 1 . 2]" 1 1097 1 62 ILE H 1 62 ILE QG . . 4.090 2.602 2.168 2.798 . 0 0 "[ . 1 . 2]" 1 1098 1 62 ILE H 1 62 ILE HG13 . . 4.940 2.653 2.184 2.873 . 0 0 "[ . 1 . 2]" 1 1099 1 62 ILE H 1 62 ILE MG . . 3.970 3.765 3.763 3.781 . 0 0 "[ . 1 . 2]" 1 1100 1 62 ILE H 1 63 TRP H . . 3.990 2.640 2.355 2.842 . 0 0 "[ . 1 . 2]" 1 1101 1 62 ILE HA 1 62 ILE MD . . 3.810 3.571 3.457 3.829 0.019 13 0 "[ . 1 . 2]" 1 1102 1 62 ILE HA 1 62 ILE HG12 . . 3.610 3.343 3.007 3.465 . 0 0 "[ . 1 . 2]" 1 1103 1 62 ILE HA 1 62 ILE HG13 . . 3.610 2.369 2.319 2.530 . 0 0 "[ . 1 . 2]" 1 1104 1 62 ILE HA 1 62 ILE MG . . 3.180 2.337 2.292 2.395 . 0 0 "[ . 1 . 2]" 1 1105 1 62 ILE HA 1 65 GLN QB . . 3.490 3.080 2.646 3.497 0.007 16 0 "[ . 1 . 2]" 1 1106 1 62 ILE HA 1 65 GLN QG . . 5.050 4.182 2.033 5.050 0.000 19 0 "[ . 1 . 2]" 1 1107 1 62 ILE HB 1 62 ILE MD . . 3.210 2.111 1.997 2.165 . 0 0 "[ . 1 . 2]" 1 1108 1 62 ILE HB 1 63 TRP H . . 3.530 2.826 2.422 2.995 . 0 0 "[ . 1 . 2]" 1 1109 1 62 ILE HB 1 63 TRP HA . . 5.190 4.337 4.178 4.395 . 0 0 "[ . 1 . 2]" 1 1110 1 62 ILE MD 1 62 ILE MG . . 3.120 2.983 2.628 3.099 . 0 0 "[ . 1 . 2]" 1 1111 1 62 ILE MD 1 63 TRP HB2 . . 5.500 5.259 5.164 5.327 . 0 0 "[ . 1 . 2]" 1 1112 1 62 ILE QG 1 62 ILE MG . . 2.970 2.023 1.926 2.133 . 0 0 "[ . 1 . 2]" 1 1113 1 62 ILE HG12 1 62 ILE MG . . 3.550 2.071 1.962 2.176 . 0 0 "[ . 1 . 2]" 1 1114 1 62 ILE HG13 1 62 ILE MG . . 3.550 2.854 2.767 3.071 . 0 0 "[ . 1 . 2]" 1 1115 1 62 ILE MG 1 63 TRP H . . 3.730 3.609 3.310 3.729 . 0 0 "[ . 1 . 2]" 1 1116 1 62 ILE MG 1 63 TRP HA . . 4.140 3.562 3.409 3.676 . 0 0 "[ . 1 . 2]" 1 1117 1 62 ILE MG 1 63 TRP HB2 . . 5.500 4.430 4.287 4.613 . 0 0 "[ . 1 . 2]" 1 1118 1 62 ILE MG 1 65 GLN QG . . 5.340 4.660 3.177 5.138 . 0 0 "[ . 1 . 2]" 1 1119 1 62 ILE MG 1 66 MET H . . 4.930 4.651 4.061 4.931 0.001 18 0 "[ . 1 . 2]" 1 1120 1 62 ILE MG 1 66 MET ME . . 3.790 3.480 2.657 3.791 0.001 18 0 "[ . 1 . 2]" 1 1121 1 63 TRP H 1 63 TRP HB2 . . 3.270 2.654 2.514 2.761 . 0 0 "[ . 1 . 2]" 1 1122 1 63 TRP H 1 63 TRP HB3 . . 3.520 2.490 2.420 2.598 . 0 0 "[ . 1 . 2]" 1 1123 1 63 TRP H 1 64 LEU H . . 3.680 2.426 2.336 2.725 . 0 0 "[ . 1 . 2]" 1 1124 1 63 TRP HA 1 63 TRP HD1 . . 3.450 3.365 3.169 3.444 . 0 0 "[ . 1 . 2]" 1 1125 1 63 TRP HA 1 63 TRP HE3 . . 5.080 4.339 4.200 4.517 . 0 0 "[ . 1 . 2]" 1 1126 1 63 TRP HA 1 66 MET QB . . 5.210 3.274 2.354 4.446 . 0 0 "[ . 1 . 2]" 1 1127 1 63 TRP HA 1 66 MET ME . . 3.940 2.930 2.152 3.661 . 0 0 "[ . 1 . 2]" 1 1128 1 63 TRP HA 1 83 LEU QD . . 4.850 4.201 3.996 4.459 . 0 0 "[ . 1 . 2]" 1 1129 1 63 TRP HB2 1 63 TRP HD1 . . 3.600 2.621 2.598 2.677 . 0 0 "[ . 1 . 2]" 1 1130 1 63 TRP HB2 1 64 LEU H . . 4.160 4.043 3.907 4.122 . 0 0 "[ . 1 . 2]" 1 1131 1 63 TRP HB3 1 63 TRP HD1 . . 3.870 3.774 3.751 3.823 . 0 0 "[ . 1 . 2]" 1 1132 1 63 TRP HB3 1 63 TRP HE3 . . 3.730 2.655 2.556 2.701 . 0 0 "[ . 1 . 2]" 1 1133 1 63 TRP HB3 1 64 LEU H . . 3.610 2.898 2.638 3.048 . 0 0 "[ . 1 . 2]" 1 1134 1 63 TRP HD1 1 66 MET ME . . 4.010 3.728 2.403 4.012 0.002 12 0 "[ . 1 . 2]" 1 1135 1 63 TRP HD1 1 83 LEU MD1 . . 4.930 4.435 3.869 4.934 0.004 20 0 "[ . 1 . 2]" 1 1136 1 63 TRP HD1 1 83 LEU QD . . 4.340 3.786 3.504 4.239 . 0 0 "[ . 1 . 2]" 1 1137 1 63 TRP HD1 1 83 LEU MD2 . . 4.930 4.218 3.592 4.671 . 0 0 "[ . 1 . 2]" 1 1138 1 63 TRP HE1 1 83 LEU QD . . 5.440 2.456 1.930 3.236 . 0 0 "[ . 1 . 2]" 1 1139 1 63 TRP HE3 1 64 LEU H . . 4.040 3.191 2.821 3.805 . 0 0 "[ . 1 . 2]" 1 1140 1 63 TRP HE3 1 64 LEU HA . . 3.690 2.519 2.152 2.981 . 0 0 "[ . 1 . 2]" 1 1141 1 63 TRP HE3 1 64 LEU MD1 . . 5.060 4.234 3.483 4.682 . 0 0 "[ . 1 . 2]" 1 1142 1 63 TRP HE3 1 64 LEU QD . . 4.450 3.932 3.386 4.291 . 0 0 "[ . 1 . 2]" 1 1143 1 63 TRP HE3 1 64 LEU MD2 . . 5.060 4.749 4.384 5.047 . 0 0 "[ . 1 . 2]" 1 1144 1 63 TRP HE3 1 67 ALA MB . . 4.650 3.540 2.956 4.257 . 0 0 "[ . 1 . 2]" 1 1145 1 63 TRP HE3 1 75 VAL MG2 . . 4.070 3.638 3.211 4.030 . 0 0 "[ . 1 . 2]" 1 1146 1 63 TRP HH2 1 67 ALA MB . . 4.360 3.300 2.807 4.197 . 0 0 "[ . 1 . 2]" 1 1147 1 63 TRP HH2 1 75 VAL MG1 . . 3.860 2.953 2.214 3.492 . 0 0 "[ . 1 . 2]" 1 1148 1 63 TRP HH2 1 75 VAL MG2 . . 3.880 3.503 3.168 3.879 . 0 0 "[ . 1 . 2]" 1 1149 1 63 TRP HH2 1 80 TYR QD . . 3.470 2.286 2.000 2.648 . 0 0 "[ . 1 . 2]" 1 1150 1 63 TRP HH2 1 80 TYR QE . . 3.840 2.932 2.417 3.395 . 0 0 "[ . 1 . 2]" 1 1151 1 63 TRP HH2 1 83 LEU MD1 . . 5.160 3.737 2.757 5.006 . 0 0 "[ . 1 . 2]" 1 1152 1 63 TRP HH2 1 83 LEU QD . . 4.190 3.201 2.745 4.134 . 0 0 "[ . 1 . 2]" 1 1153 1 63 TRP HH2 1 83 LEU MD2 . . 5.160 4.147 3.251 5.002 . 0 0 "[ . 1 . 2]" 1 1154 1 63 TRP HH2 1 84 ILE MD . . 5.500 5.255 4.987 5.465 . 0 0 "[ . 1 . 2]" 1 1155 1 63 TRP HZ2 1 67 ALA MB . . 4.600 3.870 3.451 4.609 0.009 15 0 "[ . 1 . 2]" 1 1156 1 63 TRP HZ2 1 75 VAL MG1 . . 4.850 4.703 4.157 4.852 0.002 14 0 "[ . 1 . 2]" 1 1157 1 63 TRP HZ2 1 75 VAL MG2 . . 5.500 5.252 5.028 5.500 . 0 0 "[ . 1 . 2]" 1 1158 1 63 TRP HZ2 1 80 TYR QE . . 2.930 2.124 1.998 2.375 . 0 0 "[ . 1 . 2]" 1 1159 1 63 TRP HZ2 1 83 LEU MD1 . . 4.000 2.992 2.289 3.998 . 0 0 "[ . 1 . 2]" 1 1160 1 63 TRP HZ2 1 83 LEU QD . . 3.150 2.206 1.900 2.589 . 0 0 "[ . 1 . 2]" 1 1161 1 63 TRP HZ2 1 83 LEU MD2 . . 4.000 2.834 1.914 4.001 0.001 20 0 "[ . 1 . 2]" 1 1162 1 63 TRP HZ2 1 84 ILE MD . . 4.470 4.468 4.395 4.483 0.013 15 0 "[ . 1 . 2]" 1 1163 1 63 TRP HZ3 1 64 LEU HA . . 5.000 3.404 2.950 4.139 . 0 0 "[ . 1 . 2]" 1 1164 1 63 TRP HZ3 1 64 LEU MD1 . . 5.500 4.400 3.076 5.335 . 0 0 "[ . 1 . 2]" 1 1165 1 63 TRP HZ3 1 64 LEU MD2 . . 5.500 4.820 4.107 5.499 . 0 0 "[ . 1 . 2]" 1 1166 1 63 TRP HZ3 1 67 ALA MB . . 4.800 3.122 2.621 4.007 . 0 0 "[ . 1 . 2]" 1 1167 1 63 TRP HZ3 1 75 VAL MG1 . . 4.230 3.394 2.658 3.884 . 0 0 "[ . 1 . 2]" 1 1168 1 63 TRP HZ3 1 75 VAL MG2 . . 3.740 2.244 1.963 2.876 . 0 0 "[ . 1 . 2]" 1 1169 1 64 LEU H 1 64 LEU HB2 . . 3.490 2.391 2.222 2.883 . 0 0 "[ . 1 . 2]" 1 1170 1 64 LEU H 1 64 LEU HB3 . . 3.490 2.700 2.266 2.885 . 0 0 "[ . 1 . 2]" 1 1171 1 64 LEU H 1 64 LEU MD1 . . 4.770 4.145 4.002 4.242 . 0 0 "[ . 1 . 2]" 1 1172 1 64 LEU H 1 64 LEU QD . . 4.080 3.739 3.695 3.775 . 0 0 "[ . 1 . 2]" 1 1173 1 64 LEU H 1 64 LEU MD2 . . 4.770 4.256 4.162 4.341 . 0 0 "[ . 1 . 2]" 1 1174 1 64 LEU H 1 64 LEU HG . . 4.400 4.303 4.236 4.391 . 0 0 "[ . 1 . 2]" 1 1175 1 64 LEU H 1 65 GLN H . . 3.960 2.522 2.334 2.785 . 0 0 "[ . 1 . 2]" 1 1176 1 64 LEU H 1 67 ALA MB . . 5.410 4.762 4.344 5.373 . 0 0 "[ . 1 . 2]" 1 1177 1 64 LEU HA 1 64 LEU MD1 . . 3.950 3.409 2.149 3.793 . 0 0 "[ . 1 . 2]" 1 1178 1 64 LEU HA 1 64 LEU QD . . 3.290 2.638 2.139 2.979 . 0 0 "[ . 1 . 2]" 1 1179 1 64 LEU HA 1 64 LEU MD2 . . 3.950 3.051 2.555 3.936 . 0 0 "[ . 1 . 2]" 1 1180 1 64 LEU HA 1 67 ALA MB . . 3.960 2.634 2.161 3.500 . 0 0 "[ . 1 . 2]" 1 1181 1 64 LEU HA 1 68 ASP HB2 . . 5.500 4.411 3.891 5.606 0.106 12 0 "[ . 1 . 2]" 1 1182 1 64 LEU HA 1 68 ASP QB . . 4.780 4.085 3.669 4.523 . 0 0 "[ . 1 . 2]" 1 1183 1 64 LEU HA 1 68 ASP HB3 . . 5.500 5.066 3.917 5.500 . 0 0 "[ . 1 . 2]" 1 1184 1 64 LEU HA 1 75 VAL MG1 . . 4.860 4.685 4.404 4.842 . 0 0 "[ . 1 . 2]" 1 1185 1 64 LEU HA 1 75 VAL MG2 . . 4.300 2.845 2.471 3.255 . 0 0 "[ . 1 . 2]" 1 1186 1 64 LEU QB 1 65 GLN H . . 3.520 2.604 2.324 2.947 . 0 0 "[ . 1 . 2]" 1 1187 1 64 LEU QD 1 65 GLN H . . 4.350 3.578 3.176 4.042 . 0 0 "[ . 1 . 2]" 1 1188 1 64 LEU QD 1 68 ASP HA . . 4.180 3.922 3.497 4.182 0.002 19 0 "[ . 1 . 2]" 1 1189 1 64 LEU QD 1 68 ASP QB . . 3.270 1.934 1.788 2.192 . 0 0 "[ . 1 . 2]" 1 1190 1 64 LEU QD 1 73 GLY H . . 4.730 3.121 2.149 4.112 . 0 0 "[ . 1 . 2]" 1 1191 1 64 LEU QD 1 73 GLY QA . . 3.760 2.215 1.759 2.897 . 0 0 "[ . 1 . 2]" 1 1192 1 64 LEU QD 1 74 SER H . . 4.330 2.734 2.117 3.780 . 0 0 "[ . 1 . 2]" 1 1193 1 64 LEU QD 1 74 SER HA . . 3.400 2.893 2.439 3.288 . 0 0 "[ . 1 . 2]" 1 1194 1 64 LEU QD 1 75 VAL HA . . 4.710 3.946 3.427 4.600 . 0 0 "[ . 1 . 2]" 1 1195 1 64 LEU MD1 1 73 GLY HA2 . . 4.960 2.823 1.903 3.866 . 0 0 "[ . 1 . 2]" 1 1196 1 64 LEU MD1 1 73 GLY HA3 . . 4.960 3.933 3.050 4.814 . 0 0 "[ . 1 . 2]" 1 1197 1 64 LEU MD1 1 74 SER HA . . 3.930 3.157 2.597 3.737 . 0 0 "[ . 1 . 2]" 1 1198 1 64 LEU MD2 1 73 GLY HA2 . . 4.960 2.489 1.904 3.134 . 0 0 "[ . 1 . 2]" 1 1199 1 64 LEU MD2 1 73 GLY HA3 . . 4.960 3.807 3.066 4.381 . 0 0 "[ . 1 . 2]" 1 1200 1 64 LEU MD2 1 74 SER HA . . 3.930 3.426 2.853 3.933 0.003 7 0 "[ . 1 . 2]" 1 1201 1 64 LEU HG 1 67 ALA MB . . 5.500 4.068 3.285 4.936 . 0 0 "[ . 1 . 2]" 1 1202 1 64 LEU HG 1 75 VAL MG2 . . 4.920 2.526 1.919 4.186 . 0 0 "[ . 1 . 2]" 1 1203 1 65 GLN H 1 65 GLN QB . . 3.430 2.254 2.151 2.378 . 0 0 "[ . 1 . 2]" 1 1204 1 65 GLN H 1 65 GLN QG . . 4.540 3.464 2.318 4.051 . 0 0 "[ . 1 . 2]" 1 1205 1 65 GLN H 1 66 MET H . . 3.800 2.707 2.494 2.983 . 0 0 "[ . 1 . 2]" 1 1206 1 65 GLN HA 1 65 GLN HG2 . . 3.950 3.338 2.491 3.816 . 0 0 "[ . 1 . 2]" 1 1207 1 65 GLN HA 1 65 GLN QG . . 3.410 2.595 2.312 3.331 . 0 0 "[ . 1 . 2]" 1 1208 1 65 GLN HA 1 65 GLN HG3 . . 3.950 2.911 2.357 3.731 . 0 0 "[ . 1 . 2]" 1 1209 1 65 GLN HA 1 68 ASP HB2 . . 5.030 4.499 3.401 5.137 0.107 12 0 "[ . 1 . 2]" 1 1210 1 65 GLN HA 1 68 ASP QB . . 4.250 3.361 2.373 4.154 . 0 0 "[ . 1 . 2]" 1 1211 1 65 GLN HA 1 68 ASP HB3 . . 5.030 3.503 2.423 4.716 . 0 0 "[ . 1 . 2]" 1 1212 1 65 GLN QB 1 66 MET H . . 3.870 2.783 2.172 3.531 . 0 0 "[ . 1 . 2]" 1 1213 1 65 GLN QG 1 66 MET H . . 5.180 3.692 2.299 4.385 . 0 0 "[ . 1 . 2]" 1 1214 1 66 MET H 1 66 MET HB2 . . 3.720 2.598 2.166 3.625 . 0 0 "[ . 1 . 2]" 1 1215 1 66 MET H 1 66 MET QB . . 3.140 2.328 2.144 2.789 . 0 0 "[ . 1 . 2]" 1 1216 1 66 MET H 1 66 MET HB3 . . 3.720 2.855 2.371 3.599 . 0 0 "[ . 1 . 2]" 1 1217 1 66 MET H 1 66 MET QG . . 4.270 3.466 1.946 4.010 . 0 0 "[ . 1 . 2]" 1 1218 1 66 MET H 1 67 ALA H . . 3.480 2.476 2.230 2.756 . 0 0 "[ . 1 . 2]" 1 1219 1 66 MET H 1 67 ALA MB . . 4.410 4.169 3.919 4.397 . 0 0 "[ . 1 . 2]" 1 1220 1 66 MET HA 1 66 MET ME . . 4.580 4.312 3.879 4.570 . 0 0 "[ . 1 . 2]" 1 1221 1 66 MET HA 1 66 MET HG2 . . 4.140 2.974 2.406 3.836 . 0 0 "[ . 1 . 2]" 1 1222 1 66 MET HA 1 66 MET HG3 . . 4.140 2.773 2.183 3.799 . 0 0 "[ . 1 . 2]" 1 1223 1 66 MET HA 1 83 LEU QD . . 4.980 4.462 3.813 4.982 0.002 8 0 "[ . 1 . 2]" 1 1224 1 66 MET QB 1 67 ALA H . . 4.080 2.681 2.228 3.504 . 0 0 "[ . 1 . 2]" 1 1225 1 66 MET QB 1 67 ALA MB . . 5.030 3.784 3.507 4.477 . 0 0 "[ . 1 . 2]" 1 1226 1 66 MET QB 1 83 LEU QD . . 3.640 2.793 2.039 3.630 . 0 0 "[ . 1 . 2]" 1 1227 1 66 MET ME 1 83 LEU QD . . 3.600 3.072 2.130 3.603 0.003 12 0 "[ . 1 . 2]" 1 1228 1 66 MET QG 1 83 LEU QD . . 4.020 3.129 1.974 4.021 0.001 20 0 "[ . 1 . 2]" 1 1229 1 67 ALA H 1 67 ALA MB . . 3.590 2.221 2.036 2.341 . 0 0 "[ . 1 . 2]" 1 1230 1 67 ALA H 1 68 ASP H . . 3.590 2.694 2.262 3.027 . 0 0 "[ . 1 . 2]" 1 1231 1 67 ALA HA 1 75 VAL MG1 . . 4.350 3.923 3.309 4.352 0.002 8 0 "[ . 1 . 2]" 1 1232 1 67 ALA HA 1 83 LEU QB . . 5.130 3.236 2.016 5.133 0.003 10 0 "[ . 1 . 2]" 1 1233 1 67 ALA HA 1 83 LEU MD1 . . 4.470 2.503 1.884 4.473 0.003 13 0 "[ . 1 . 2]" 1 1234 1 67 ALA HA 1 83 LEU QD . . 3.340 2.063 1.881 2.301 . 0 0 "[ . 1 . 2]" 1 1235 1 67 ALA HA 1 83 LEU MD2 . . 4.470 3.581 1.883 4.473 0.003 19 0 "[ . 1 . 2]" 1 1236 1 67 ALA HA 1 83 LEU HG . . 5.500 3.862 2.169 4.908 . 0 0 "[ . 1 . 2]" 1 1237 1 67 ALA MB 1 68 ASP H . . 3.690 2.446 1.944 3.557 . 0 0 "[ . 1 . 2]" 1 1238 1 67 ALA MB 1 68 ASP HA . . 5.020 3.831 3.641 4.286 . 0 0 "[ . 1 . 2]" 1 1239 1 67 ALA MB 1 75 VAL HA . . 5.290 4.149 3.605 4.509 . 0 0 "[ . 1 . 2]" 1 1240 1 67 ALA MB 1 75 VAL MG1 . . 3.580 2.100 1.790 2.527 . 0 0 "[ . 1 . 2]" 1 1241 1 67 ALA MB 1 75 VAL MG2 . . 3.260 2.034 1.783 2.431 . 0 0 "[ . 1 . 2]" 1 1242 1 67 ALA MB 1 80 TYR H . . 5.500 4.831 4.190 5.493 . 0 0 "[ . 1 . 2]" 1 1243 1 67 ALA MB 1 80 TYR QD . . 4.230 3.427 2.715 3.959 . 0 0 "[ . 1 . 2]" 1 1244 1 67 ALA MB 1 80 TYR QE . . 5.500 4.848 4.230 5.459 . 0 0 "[ . 1 . 2]" 1 1245 1 67 ALA MB 1 83 LEU HB2 . . 4.980 3.208 1.967 4.668 . 0 0 "[ . 1 . 2]" 1 1246 1 67 ALA MB 1 83 LEU QB . . 4.380 3.044 1.947 4.283 . 0 0 "[ . 1 . 2]" 1 1247 1 67 ALA MB 1 83 LEU HB3 . . 4.980 3.991 3.110 4.983 0.003 12 0 "[ . 1 . 2]" 1 1248 1 68 ASP H 1 68 ASP HB2 . . 3.430 2.544 2.111 3.519 0.089 12 0 "[ . 1 . 2]" 1 1249 1 68 ASP H 1 68 ASP QB . . 3.000 2.283 2.084 2.692 . 0 0 "[ . 1 . 2]" 1 1250 1 68 ASP H 1 68 ASP HB3 . . 3.430 2.711 2.223 3.196 . 0 0 "[ . 1 . 2]" 1 1251 1 68 ASP HA 1 69 THR H . . 3.010 2.153 2.138 2.211 . 0 0 "[ . 1 . 2]" 1 1252 1 68 ASP HA 1 70 ASN H . . 4.120 3.747 3.403 4.156 0.036 12 0 "[ . 1 . 2]" 1 1253 1 68 ASP HA 1 71 SER H . . 4.690 4.063 3.741 4.343 . 0 0 "[ . 1 . 2]" 1 1254 1 68 ASP HA 1 75 VAL HA . . 4.970 3.504 3.023 4.386 . 0 0 "[ . 1 . 2]" 1 1255 1 68 ASP HA 1 75 VAL MG1 . . 4.380 3.603 3.073 4.344 . 0 0 "[ . 1 . 2]" 1 1256 1 68 ASP HA 1 75 VAL MG2 . . 3.880 3.375 2.257 3.880 . 0 0 "[ . 1 . 2]" 1 1257 1 68 ASP HA 1 79 GLU QB . . 4.520 2.743 2.025 3.692 . 0 0 "[ . 1 . 2]" 1 1258 1 68 ASP QB 1 69 THR H . . 4.160 3.765 3.226 3.991 . 0 0 "[ . 1 . 2]" 1 1259 1 68 ASP QB 1 71 SER HA . . 4.620 2.627 2.019 3.414 . 0 0 "[ . 1 . 2]" 1 1260 1 68 ASP QB 1 71 SER QB . . 5.180 4.184 3.646 4.795 . 0 0 "[ . 1 . 2]" 1 1261 1 68 ASP QB 1 74 SER HA . . 5.340 4.892 4.354 5.337 . 0 0 "[ . 1 . 2]" 1 1262 1 68 ASP QB 1 75 VAL MG2 . . 4.130 2.569 1.953 3.552 . 0 0 "[ . 1 . 2]" 1 1263 1 68 ASP HB2 1 74 SER H . . 5.160 3.790 3.117 5.069 . 0 0 "[ . 1 . 2]" 1 1264 1 68 ASP HB2 1 75 VAL MG2 . . 4.780 2.642 1.963 4.420 . 0 0 "[ . 1 . 2]" 1 1265 1 68 ASP HB3 1 74 SER H . . 5.160 4.460 3.876 5.156 . 0 0 "[ . 1 . 2]" 1 1266 1 68 ASP HB3 1 75 VAL MG2 . . 4.780 3.939 3.141 4.782 0.002 20 0 "[ . 1 . 2]" 1 1267 1 69 THR H 1 69 THR MG . . 3.810 3.627 2.160 3.804 . 0 0 "[ . 1 . 2]" 1 1268 1 69 THR H 1 70 ASN H . . 4.250 2.369 2.290 2.538 . 0 0 "[ . 1 . 2]" 1 1269 1 69 THR H 1 71 SER H . . 4.560 3.645 3.343 3.833 . 0 0 "[ . 1 . 2]" 1 1270 1 69 THR H 1 79 GLU QB . . 5.210 3.316 1.988 4.288 . 0 0 "[ . 1 . 2]" 1 1271 1 69 THR H 1 79 GLU QG . . 4.560 2.453 1.865 3.377 . 0 0 "[ . 1 . 2]" 1 1272 1 69 THR HA 1 69 THR MG . . 2.830 2.258 2.064 2.402 . 0 0 "[ . 1 . 2]" 1 1273 1 69 THR HB 1 70 ASN H . . 4.410 2.955 2.448 3.790 . 0 0 "[ . 1 . 2]" 1 1274 1 69 THR HB 1 70 ASN QB . . 5.340 4.195 3.662 5.273 . 0 0 "[ . 1 . 2]" 1 1275 1 69 THR HB 1 79 GLU QG . . 4.620 3.590 2.451 4.618 . 0 0 "[ . 1 . 2]" 1 1276 1 69 THR MG 1 70 ASN QB . . 5.000 4.648 3.832 5.005 0.005 8 0 "[ . 1 . 2]" 1 1277 1 69 THR MG 1 79 GLU HG2 . . 5.500 4.991 3.505 5.518 0.018 8 0 "[ . 1 . 2]" 1 1278 1 69 THR MG 1 79 GLU HG3 . . 5.500 4.814 2.128 5.501 0.001 13 0 "[ . 1 . 2]" 1 1279 1 70 ASN H 1 70 ASN QB . . 3.590 2.293 2.105 2.503 . 0 0 "[ . 1 . 2]" 1 1280 1 70 ASN H 1 71 SER H . . 3.350 2.327 2.092 2.530 . 0 0 "[ . 1 . 2]" 1 1281 1 71 SER H 1 71 SER HA . . 2.770 2.278 2.275 2.288 . 0 0 "[ . 1 . 2]" 1 1282 1 71 SER H 1 72 ASP H . . 3.610 2.815 2.662 3.043 . 0 0 "[ . 1 . 2]" 1 1283 1 71 SER HA 1 72 ASP H . . 3.560 2.737 2.569 2.958 . 0 0 "[ . 1 . 2]" 1 1284 1 71 SER HA 1 73 GLY H . . 4.200 3.181 3.065 3.366 . 0 0 "[ . 1 . 2]" 1 1285 1 72 ASP H 1 73 GLY H . . 3.280 2.443 2.036 2.738 . 0 0 "[ . 1 . 2]" 1 1286 1 72 ASP H 1 73 GLY QA . . 4.900 4.304 4.079 4.449 . 0 0 "[ . 1 . 2]" 1 1287 1 72 ASP H 1 74 SER H . . 4.020 3.307 2.973 3.803 . 0 0 "[ . 1 . 2]" 1 1288 1 72 ASP HA 1 74 SER H . . 4.940 4.702 4.298 4.942 0.002 4 0 "[ . 1 . 2]" 1 1289 1 72 ASP QB 1 74 SER H . . 5.330 3.394 2.626 4.174 . 0 0 "[ . 1 . 2]" 1 1290 1 73 GLY H 1 74 SER H . . 3.340 2.397 2.101 2.658 . 0 0 "[ . 1 . 2]" 1 1291 1 74 SER H 1 74 SER QB . . 3.640 3.140 2.847 3.324 . 0 0 "[ . 1 . 2]" 1 1292 1 74 SER HA 1 75 VAL H . . 3.260 2.244 2.148 2.622 . 0 0 "[ . 1 . 2]" 1 1293 1 74 SER HA 1 75 VAL HA . . 5.070 4.404 4.360 4.520 . 0 0 "[ . 1 . 2]" 1 1294 1 74 SER HA 1 75 VAL MG2 . . 4.360 3.436 3.133 3.658 . 0 0 "[ . 1 . 2]" 1 1295 1 74 SER QB 1 75 VAL H . . 3.470 2.945 2.028 3.239 . 0 0 "[ . 1 . 2]" 1 1296 1 74 SER HB2 1 75 VAL H . . 4.230 3.467 2.776 4.012 . 0 0 "[ . 1 . 2]" 1 1297 1 74 SER HB3 1 75 VAL H . . 4.230 3.323 2.048 4.003 . 0 0 "[ . 1 . 2]" 1 1298 1 75 VAL H 1 75 VAL HB . . 3.820 2.681 2.551 2.892 . 0 0 "[ . 1 . 2]" 1 1299 1 75 VAL H 1 75 VAL MG1 . . 4.170 3.861 3.792 3.955 . 0 0 "[ . 1 . 2]" 1 1300 1 75 VAL H 1 75 VAL MG2 . . 3.530 2.531 2.230 2.867 . 0 0 "[ . 1 . 2]" 1 1301 1 75 VAL HA 1 75 VAL MG1 . . 3.410 2.364 2.308 2.389 . 0 0 "[ . 1 . 2]" 1 1302 1 75 VAL HA 1 75 VAL MG2 . . 3.330 2.409 2.333 2.462 . 0 0 "[ . 1 . 2]" 1 1303 1 75 VAL HA 1 76 SER H . . 3.250 2.163 2.141 2.205 . 0 0 "[ . 1 . 2]" 1 1304 1 75 VAL HA 1 76 SER HA . . 4.930 4.422 4.385 4.466 . 0 0 "[ . 1 . 2]" 1 1305 1 75 VAL HA 1 76 SER HB2 . . 5.500 4.865 4.391 5.385 . 0 0 "[ . 1 . 2]" 1 1306 1 75 VAL HA 1 76 SER HB3 . . 5.500 5.091 4.565 5.504 0.004 16 0 "[ . 1 . 2]" 1 1307 1 75 VAL HA 1 79 GLU HA . . 5.500 5.491 5.399 5.507 0.007 15 0 "[ . 1 . 2]" 1 1308 1 75 VAL HA 1 79 GLU HB2 . . 4.560 2.890 2.586 3.268 . 0 0 "[ . 1 . 2]" 1 1309 1 75 VAL HA 1 79 GLU HB3 . . 4.560 3.097 2.825 3.487 . 0 0 "[ . 1 . 2]" 1 1310 1 75 VAL HA 1 79 GLU QG . . 4.770 3.665 2.953 4.319 . 0 0 "[ . 1 . 2]" 1 1311 1 75 VAL HA 1 80 TYR HA . . 5.500 5.444 5.328 5.507 0.007 8 0 "[ . 1 . 2]" 1 1312 1 75 VAL MG1 1 76 SER H . . 3.960 3.021 2.572 3.318 . 0 0 "[ . 1 . 2]" 1 1313 1 75 VAL MG1 1 76 SER HA . . 4.910 4.166 3.894 4.333 . 0 0 "[ . 1 . 2]" 1 1314 1 75 VAL MG1 1 77 LEU HA . . 4.980 4.666 4.500 4.814 . 0 0 "[ . 1 . 2]" 1 1315 1 75 VAL MG1 1 79 GLU H . . 4.250 3.913 3.709 4.249 . 0 0 "[ . 1 . 2]" 1 1316 1 75 VAL MG1 1 79 GLU HA . . 4.300 4.073 3.895 4.295 . 0 0 "[ . 1 . 2]" 1 1317 1 75 VAL MG1 1 79 GLU HB2 . . 4.140 2.589 2.012 2.920 . 0 0 "[ . 1 . 2]" 1 1318 1 75 VAL MG1 1 79 GLU HB3 . . 4.140 2.398 2.038 3.153 . 0 0 "[ . 1 . 2]" 1 1319 1 75 VAL MG1 1 79 GLU QG . . 4.310 3.787 3.428 4.021 . 0 0 "[ . 1 . 2]" 1 1320 1 75 VAL MG1 1 80 TYR H . . 3.970 2.630 2.094 3.090 . 0 0 "[ . 1 . 2]" 1 1321 1 75 VAL MG1 1 80 TYR HA . . 4.440 2.333 2.209 2.580 . 0 0 "[ . 1 . 2]" 1 1322 1 75 VAL MG1 1 80 TYR QB . . 3.900 1.953 1.881 2.183 . 0 0 "[ . 1 . 2]" 1 1323 1 75 VAL MG1 1 80 TYR QD . . 3.710 2.777 2.482 3.119 . 0 0 "[ . 1 . 2]" 1 1324 1 75 VAL MG1 1 80 TYR QE . . 5.410 4.628 4.397 4.917 . 0 0 "[ . 1 . 2]" 1 1325 1 75 VAL MG2 1 76 SER H . . 4.270 4.212 4.136 4.272 0.002 7 0 "[ . 1 . 2]" 1 1326 1 76 SER H 1 76 SER QB . . 3.630 2.567 2.223 2.983 . 0 0 "[ . 1 . 2]" 1 1327 1 76 SER H 1 79 GLU H . . 4.270 3.547 3.227 3.849 . 0 0 "[ . 1 . 2]" 1 1328 1 76 SER H 1 79 GLU HB2 . . 3.980 2.044 1.942 2.230 . 0 0 "[ . 1 . 2]" 1 1329 1 76 SER H 1 79 GLU QB . . 3.400 2.024 1.926 2.206 . 0 0 "[ . 1 . 2]" 1 1330 1 76 SER H 1 79 GLU HB3 . . 3.980 3.293 2.822 3.544 . 0 0 "[ . 1 . 2]" 1 1331 1 76 SER HA 1 77 LEU H . . 3.510 2.589 2.392 2.716 . 0 0 "[ . 1 . 2]" 1 1332 1 76 SER HA 1 78 GLU H . . 5.350 4.545 4.178 5.051 . 0 0 "[ . 1 . 2]" 1 1333 1 76 SER QB 1 77 LEU H . . 3.570 2.611 2.097 3.259 . 0 0 "[ . 1 . 2]" 1 1334 1 76 SER QB 1 78 GLU H . . 4.320 2.673 2.231 3.412 . 0 0 "[ . 1 . 2]" 1 1335 1 76 SER HB2 1 77 LEU H . . 4.340 3.122 2.199 3.898 . 0 0 "[ . 1 . 2]" 1 1336 1 76 SER HB3 1 77 LEU H . . 4.340 2.907 2.562 3.603 . 0 0 "[ . 1 . 2]" 1 1337 1 77 LEU H 1 77 LEU HB2 . . 3.850 2.270 2.109 2.609 . 0 0 "[ . 1 . 2]" 1 1338 1 77 LEU H 1 77 LEU QB . . 3.380 2.158 2.071 2.238 . 0 0 "[ . 1 . 2]" 1 1339 1 77 LEU H 1 77 LEU HB3 . . 3.850 2.845 2.413 3.531 . 0 0 "[ . 1 . 2]" 1 1340 1 77 LEU H 1 77 LEU QD . . 4.870 3.515 3.308 3.729 . 0 0 "[ . 1 . 2]" 1 1341 1 77 LEU HA 1 77 LEU MD1 . . 4.000 2.643 1.963 3.826 . 0 0 "[ . 1 . 2]" 1 1342 1 77 LEU HA 1 77 LEU QD . . 3.210 2.027 1.902 2.282 . 0 0 "[ . 1 . 2]" 1 1343 1 77 LEU HA 1 77 LEU MD2 . . 4.000 2.597 1.958 3.921 . 0 0 "[ . 1 . 2]" 1 1344 1 77 LEU HA 1 80 TYR QD . . 4.920 3.863 3.357 4.189 . 0 0 "[ . 1 . 2]" 1 1345 1 77 LEU QB 1 77 LEU QD . . 2.850 1.960 1.889 2.036 . 0 0 "[ . 1 . 2]" 1 1346 1 77 LEU HB2 1 78 GLU H . . 4.010 3.605 2.916 3.996 . 0 0 "[ . 1 . 2]" 1 1347 1 77 LEU HB3 1 78 GLU H . . 4.010 2.708 2.095 3.540 . 0 0 "[ . 1 . 2]" 1 1348 1 77 LEU QD 1 78 GLU H . . 4.720 3.732 3.102 4.217 . 0 0 "[ . 1 . 2]" 1 1349 1 77 LEU QD 1 80 TYR H . . 5.440 4.466 4.127 5.101 . 0 0 "[ . 1 . 2]" 1 1350 1 77 LEU QD 1 80 TYR QB . . 4.320 3.374 3.126 3.704 . 0 0 "[ . 1 . 2]" 1 1351 1 77 LEU QD 1 80 TYR QD . . 3.460 3.213 2.871 3.458 . 0 0 "[ . 1 . 2]" 1 1352 1 77 LEU QD 1 81 GLU H . . 4.860 3.723 3.380 4.526 . 0 0 "[ . 1 . 2]" 1 1353 1 77 LEU QD 1 81 GLU QB . . 5.120 3.289 2.367 4.639 . 0 0 "[ . 1 . 2]" 1 1354 1 78 GLU H 1 78 GLU QB . . 3.170 2.327 2.163 2.637 . 0 0 "[ . 1 . 2]" 1 1355 1 78 GLU H 1 78 GLU QG . . 3.930 3.011 1.940 3.947 0.017 5 0 "[ . 1 . 2]" 1 1356 1 78 GLU H 1 79 GLU H . . 3.720 2.490 2.367 2.746 . 0 0 "[ . 1 . 2]" 1 1357 1 78 GLU HA 1 78 GLU QG . . 3.360 2.588 2.220 3.340 . 0 0 "[ . 1 . 2]" 1 1358 1 78 GLU QB 1 79 GLU H . . 3.690 2.831 2.073 3.611 . 0 0 "[ . 1 . 2]" 1 1359 1 79 GLU H 1 79 GLU HB2 . . 3.710 2.328 2.148 2.697 . 0 0 "[ . 1 . 2]" 1 1360 1 79 GLU H 1 79 GLU QB . . 3.250 2.295 2.127 2.625 . 0 0 "[ . 1 . 2]" 1 1361 1 79 GLU H 1 79 GLU HB3 . . 3.710 3.532 3.441 3.638 . 0 0 "[ . 1 . 2]" 1 1362 1 79 GLU H 1 79 GLU HG2 . . 4.250 3.602 1.971 4.252 0.002 4 0 "[ . 1 . 2]" 1 1363 1 79 GLU H 1 79 GLU QG . . 3.710 2.943 1.961 3.708 . 0 0 "[ . 1 . 2]" 1 1364 1 79 GLU H 1 79 GLU HG3 . . 4.250 3.467 2.116 4.235 . 0 0 "[ . 1 . 2]" 1 1365 1 79 GLU H 1 80 TYR H . . 3.760 2.524 2.311 2.966 . 0 0 "[ . 1 . 2]" 1 1366 1 79 GLU HA 1 82 ASP HB2 . . 4.500 3.512 2.505 4.501 0.001 13 0 "[ . 1 . 2]" 1 1367 1 79 GLU HA 1 82 ASP QB . . 3.770 3.040 2.480 3.770 0.000 13 0 "[ . 1 . 2]" 1 1368 1 79 GLU HA 1 82 ASP HB3 . . 4.500 3.556 2.876 4.499 . 0 0 "[ . 1 . 2]" 1 1369 1 79 GLU QB 1 80 TYR H . . 3.920 2.809 2.270 3.030 . 0 0 "[ . 1 . 2]" 1 1370 1 79 GLU HB2 1 80 TYR H . . 4.520 2.945 2.295 3.247 . 0 0 "[ . 1 . 2]" 1 1371 1 79 GLU HB3 1 80 TYR H . . 4.520 3.615 3.018 4.177 . 0 0 "[ . 1 . 2]" 1 1372 1 79 GLU QG 1 80 TYR H . . 5.280 4.355 3.639 4.759 . 0 0 "[ . 1 . 2]" 1 1373 1 80 TYR H 1 80 TYR QB . . 3.070 2.269 2.240 2.300 . 0 0 "[ . 1 . 2]" 1 1374 1 80 TYR H 1 80 TYR QD . . 4.480 4.205 4.185 4.227 . 0 0 "[ . 1 . 2]" 1 1375 1 80 TYR H 1 81 GLU H . . 3.970 2.542 2.328 2.890 . 0 0 "[ . 1 . 2]" 1 1376 1 80 TYR H 1 81 GLU QB . . 4.710 4.485 4.086 4.726 0.016 18 0 "[ . 1 . 2]" 1 1377 1 80 TYR HA 1 80 TYR QD . . 3.230 2.242 2.116 2.413 . 0 0 "[ . 1 . 2]" 1 1378 1 80 TYR HA 1 80 TYR QE . . 4.720 4.476 4.387 4.582 . 0 0 "[ . 1 . 2]" 1 1379 1 80 TYR HA 1 83 LEU QB . . 4.380 3.030 2.329 3.488 . 0 0 "[ . 1 . 2]" 1 1380 1 80 TYR HA 1 83 LEU MD1 . . 4.710 3.661 1.936 4.737 0.027 8 0 "[ . 1 . 2]" 1 1381 1 80 TYR HA 1 83 LEU MD2 . . 4.710 4.248 3.777 4.710 . 0 0 "[ . 1 . 2]" 1 1382 1 80 TYR QB 1 81 GLU H . . 3.540 2.464 2.214 2.751 . 0 0 "[ . 1 . 2]" 1 1383 1 80 TYR QD 1 83 LEU HB2 . . 4.930 3.699 2.898 4.087 . 0 0 "[ . 1 . 2]" 1 1384 1 80 TYR QD 1 83 LEU QB . . 4.210 3.202 2.428 3.662 . 0 0 "[ . 1 . 2]" 1 1385 1 80 TYR QD 1 83 LEU HB3 . . 4.930 3.672 2.606 4.882 . 0 0 "[ . 1 . 2]" 1 1386 1 80 TYR QD 1 83 LEU MD1 . . 4.920 3.437 1.894 4.572 . 0 0 "[ . 1 . 2]" 1 1387 1 80 TYR QD 1 83 LEU QD . . 3.570 2.745 1.892 3.499 . 0 0 "[ . 1 . 2]" 1 1388 1 80 TYR QD 1 83 LEU MD2 . . 4.920 3.650 2.426 4.682 . 0 0 "[ . 1 . 2]" 1 1389 1 80 TYR QD 1 84 ILE MD . . 3.580 3.255 2.999 3.516 . 0 0 "[ . 1 . 2]" 1 1390 1 80 TYR QE 1 81 GLU HA . . 5.500 5.031 4.709 5.417 . 0 0 "[ . 1 . 2]" 1 1391 1 80 TYR QE 1 83 LEU QB . . 4.780 3.917 3.200 4.269 . 0 0 "[ . 1 . 2]" 1 1392 1 80 TYR QE 1 83 LEU QD . . 3.400 2.977 2.380 3.357 . 0 0 "[ . 1 . 2]" 1 1393 1 80 TYR QE 1 84 ILE MD . . 3.870 3.078 2.735 3.359 . 0 0 "[ . 1 . 2]" 1 1394 1 80 TYR QE 1 84 ILE QG . . 5.340 4.102 3.559 4.574 . 0 0 "[ . 1 . 2]" 1 1395 1 81 GLU H 1 81 GLU HB2 . . 3.950 2.866 2.148 3.594 . 0 0 "[ . 1 . 2]" 1 1396 1 81 GLU H 1 81 GLU HB3 . . 3.950 2.879 2.461 3.589 . 0 0 "[ . 1 . 2]" 1 1397 1 81 GLU H 1 81 GLU QG . . 4.290 2.839 1.929 4.047 . 0 0 "[ . 1 . 2]" 1 1398 1 81 GLU H 1 82 ASP H . . 3.930 2.762 2.529 2.964 . 0 0 "[ . 1 . 2]" 1 1399 1 81 GLU HA 1 81 GLU QG . . 3.610 2.841 2.264 3.337 . 0 0 "[ . 1 . 2]" 1 1400 1 81 GLU HA 1 84 ILE H . . 4.650 3.502 3.353 3.768 . 0 0 "[ . 1 . 2]" 1 1401 1 81 GLU HA 1 84 ILE HB . . 4.100 3.477 3.264 3.822 . 0 0 "[ . 1 . 2]" 1 1402 1 81 GLU HA 1 84 ILE MD . . 4.480 1.970 1.891 2.460 . 0 0 "[ . 1 . 2]" 1 1403 1 81 GLU HA 1 84 ILE QG . . 4.980 4.073 3.932 4.629 . 0 0 "[ . 1 . 2]" 1 1404 1 81 GLU HA 1 84 ILE MG . . 5.080 4.768 4.603 5.090 0.010 13 0 "[ . 1 . 2]" 1 1405 1 81 GLU QB 1 82 ASP H . . 3.310 2.941 2.348 3.357 0.047 15 0 "[ . 1 . 2]" 1 1406 1 81 GLU QB 1 84 ILE MD . . 4.690 3.650 3.462 4.183 . 0 0 "[ . 1 . 2]" 1 1407 1 81 GLU HB2 1 82 ASP H . . 4.010 3.458 2.445 4.013 0.003 14 0 "[ . 1 . 2]" 1 1408 1 81 GLU HB3 1 82 ASP H . . 4.010 3.426 2.447 4.004 . 0 0 "[ . 1 . 2]" 1 1409 1 82 ASP H 1 82 ASP HB2 . . 3.570 2.375 2.168 2.704 . 0 0 "[ . 1 . 2]" 1 1410 1 82 ASP H 1 82 ASP HB3 . . 3.570 2.807 2.371 3.532 . 0 0 "[ . 1 . 2]" 1 1411 1 82 ASP H 1 83 LEU H . . 3.920 2.678 2.469 2.840 . 0 0 "[ . 1 . 2]" 1 1412 1 82 ASP H 1 83 LEU QB . . 4.990 4.451 4.214 4.781 . 0 0 "[ . 1 . 2]" 1 1413 1 82 ASP HA 1 85 ILE H . . 4.080 3.256 3.096 3.472 . 0 0 "[ . 1 . 2]" 1 1414 1 82 ASP HA 1 85 ILE HB . . 3.720 2.999 2.594 3.484 . 0 0 "[ . 1 . 2]" 1 1415 1 82 ASP HA 1 85 ILE MD . . 3.960 3.425 1.973 3.937 . 0 0 "[ . 1 . 2]" 1 1416 1 82 ASP HA 1 85 ILE HG12 . . 4.990 2.366 1.999 4.535 . 0 0 "[ . 1 . 2]" 1 1417 1 82 ASP HA 1 85 ILE QG . . 4.330 2.212 1.891 4.150 . 0 0 "[ . 1 . 2]" 1 1418 1 82 ASP HA 1 85 ILE HG13 . . 4.990 2.673 2.257 4.810 . 0 0 "[ . 1 . 2]" 1 1419 1 82 ASP HA 1 85 ILE MG . . 4.250 4.033 3.779 4.242 . 0 0 "[ . 1 . 2]" 1 1420 1 82 ASP QB 1 83 LEU H . . 3.870 2.777 2.506 2.965 . 0 0 "[ . 1 . 2]" 1 1421 1 82 ASP HB2 1 83 LEU H . . 4.590 3.764 3.003 4.144 . 0 0 "[ . 1 . 2]" 1 1422 1 82 ASP HB3 1 83 LEU H . . 4.590 2.936 2.557 3.644 . 0 0 "[ . 1 . 2]" 1 1423 1 83 LEU H 1 83 LEU QB . . 3.350 2.249 2.121 2.467 . 0 0 "[ . 1 . 2]" 1 1424 1 83 LEU H 1 83 LEU MD1 . . 4.830 3.889 3.229 4.283 . 0 0 "[ . 1 . 2]" 1 1425 1 83 LEU H 1 83 LEU QD . . 4.070 3.499 3.081 3.728 . 0 0 "[ . 1 . 2]" 1 1426 1 83 LEU H 1 83 LEU MD2 . . 4.830 4.034 3.501 4.331 . 0 0 "[ . 1 . 2]" 1 1427 1 83 LEU H 1 84 ILE H . . 4.570 2.695 2.562 2.915 . 0 0 "[ . 1 . 2]" 1 1428 1 83 LEU HA 1 83 LEU QD . . 3.460 2.579 1.955 3.130 . 0 0 "[ . 1 . 2]" 1 1429 1 83 LEU HA 1 83 LEU HG . . 3.830 2.745 2.383 3.691 . 0 0 "[ . 1 . 2]" 1 1430 1 83 LEU HA 1 84 ILE MD . . 5.360 4.647 4.513 4.844 . 0 0 "[ . 1 . 2]" 1 1431 1 83 LEU QB 1 84 ILE H . . 3.970 2.585 2.288 2.711 . 0 0 "[ . 1 . 2]" 1 1432 1 83 LEU HB2 1 84 ILE H . . 4.560 3.536 2.617 3.990 . 0 0 "[ . 1 . 2]" 1 1433 1 83 LEU HB3 1 84 ILE H . . 4.560 2.858 2.321 3.743 . 0 0 "[ . 1 . 2]" 1 1434 1 83 LEU QD 1 84 ILE H . . 5.440 3.688 3.134 4.124 . 0 0 "[ . 1 . 2]" 1 1435 1 83 LEU QD 1 84 ILE HA . . 5.440 3.896 2.822 5.120 . 0 0 "[ . 1 . 2]" 1 1436 1 83 LEU QD 1 84 ILE MD . . 3.640 3.142 2.601 3.606 . 0 0 "[ . 1 . 2]" 1 1437 1 84 ILE H 1 84 ILE QG . . 4.040 2.923 2.752 3.034 . 0 0 "[ . 1 . 2]" 1 1438 1 84 ILE H 1 85 ILE H . . 4.280 2.519 2.405 2.855 . 0 0 "[ . 1 . 2]" 1 1439 1 84 ILE HA 1 84 ILE MD . . 3.390 3.376 3.267 3.414 0.024 13 0 "[ . 1 . 2]" 1 1440 1 84 ILE HA 1 84 ILE MG . . 3.400 2.352 2.303 2.414 . 0 0 "[ . 1 . 2]" 1 1441 1 84 ILE HA 1 87 SER QB . . 3.890 2.871 2.353 3.555 . 0 0 "[ . 1 . 2]" 1 1442 1 84 ILE HA 1 88 LEU QD . . 5.440 4.205 3.413 4.695 . 0 0 "[ . 1 . 2]" 1 1443 1 84 ILE HB 1 85 ILE H . . 3.790 2.921 2.548 3.026 . 0 0 "[ . 1 . 2]" 1 1444 1 84 ILE HB 1 85 ILE MD . . 3.990 3.597 2.735 3.942 . 0 0 "[ . 1 . 2]" 1 1445 1 84 ILE MD 1 84 ILE MG . . 3.190 3.135 3.100 3.163 . 0 0 "[ . 1 . 2]" 1 1446 1 84 ILE MD 1 85 ILE H . . 4.400 3.693 3.580 3.775 . 0 0 "[ . 1 . 2]" 1 1447 1 84 ILE MG 1 85 ILE HA . . 4.290 3.610 3.378 3.759 . 0 0 "[ . 1 . 2]" 1 1448 1 84 ILE MG 1 85 ILE MD . . 3.930 3.585 3.284 3.879 . 0 0 "[ . 1 . 2]" 1 1449 1 84 ILE MG 1 87 SER QB . . 5.000 3.253 2.501 4.172 . 0 0 "[ . 1 . 2]" 1 1450 1 84 ILE MG 1 88 LEU HB2 . . 4.300 3.717 3.016 4.220 . 0 0 "[ . 1 . 2]" 1 1451 1 84 ILE MG 1 88 LEU HG . . 4.700 3.002 2.005 4.671 . 0 0 "[ . 1 . 2]" 1 1452 1 85 ILE H 1 85 ILE HB . . 3.930 2.560 2.368 2.637 . 0 0 "[ . 1 . 2]" 1 1453 1 85 ILE H 1 85 ILE HG12 . . 4.390 2.246 1.972 4.041 . 0 0 "[ . 1 . 2]" 1 1454 1 85 ILE H 1 85 ILE QG . . 3.760 2.127 1.962 2.979 . 0 0 "[ . 1 . 2]" 1 1455 1 85 ILE H 1 85 ILE HG13 . . 4.390 3.509 2.948 3.628 . 0 0 "[ . 1 . 2]" 1 1456 1 85 ILE H 1 85 ILE MG . . 3.870 3.762 3.723 3.765 . 0 0 "[ . 1 . 2]" 1 1457 1 85 ILE HA 1 85 ILE MD . . 3.450 2.200 1.966 3.476 0.026 7 0 "[ . 1 . 2]" 1 1458 1 85 ILE HA 1 85 ILE QG . . 3.650 2.864 2.134 2.972 . 0 0 "[ . 1 . 2]" 1 1459 1 85 ILE HA 1 85 ILE MG . . 3.120 2.344 2.294 2.477 . 0 0 "[ . 1 . 2]" 1 1460 1 85 ILE HA 1 88 LEU HB2 . . 3.980 2.664 1.991 3.579 . 0 0 "[ . 1 . 2]" 1 1461 1 85 ILE HA 1 88 LEU QD . . 4.010 2.714 1.976 3.596 . 0 0 "[ . 1 . 2]" 1 1462 1 85 ILE HA 1 95 VAL MG1 . . 4.950 4.205 2.995 4.950 0.000 12 0 "[ . 1 . 2]" 1 1463 1 85 ILE HA 1 95 VAL QG . . 4.300 3.583 2.677 4.048 . 0 0 "[ . 1 . 2]" 1 1464 1 85 ILE HA 1 95 VAL MG2 . . 4.950 4.070 2.817 4.883 . 0 0 "[ . 1 . 2]" 1 1465 1 85 ILE MD 1 85 ILE MG . . 3.010 2.106 1.918 3.039 0.029 7 0 "[ . 1 . 2]" 1 1466 1 85 ILE MD 1 95 VAL MG1 . . 4.100 3.448 1.923 4.161 0.061 15 0 "[ . 1 . 2]" 1 1467 1 85 ILE MD 1 95 VAL QG . . 3.350 2.711 1.905 3.360 0.010 7 0 "[ . 1 . 2]" 1 1468 1 85 ILE MD 1 95 VAL MG2 . . 4.100 2.969 1.912 3.929 . 0 0 "[ . 1 . 2]" 1 1469 1 85 ILE QG 1 85 ILE MG . . 3.260 2.217 1.924 2.296 . 0 0 "[ . 1 . 2]" 1 1470 1 85 ILE HG12 1 85 ILE MG . . 3.750 3.067 1.957 3.201 . 0 0 "[ . 1 . 2]" 1 1471 1 85 ILE HG13 1 85 ILE MG . . 3.750 2.352 2.235 2.843 . 0 0 "[ . 1 . 2]" 1 1472 1 85 ILE MG 1 86 LYS H . . 4.080 3.352 3.107 3.684 . 0 0 "[ . 1 . 2]" 1 1473 1 85 ILE MG 1 86 LYS HA . . 3.920 3.493 3.286 3.658 . 0 0 "[ . 1 . 2]" 1 1474 1 85 ILE MG 1 86 LYS QD . . 3.750 3.483 3.036 3.757 0.007 7 0 "[ . 1 . 2]" 1 1475 1 85 ILE MG 1 89 GLN H . . 5.010 4.096 3.811 4.426 . 0 0 "[ . 1 . 2]" 1 1476 1 85 ILE MG 1 89 GLN HA . . 5.150 5.097 4.667 5.157 0.007 10 0 "[ . 1 . 2]" 1 1477 1 85 ILE MG 1 89 GLN QG . . 3.810 3.040 2.539 3.812 0.002 2 0 "[ . 1 . 2]" 1 1478 1 85 ILE MG 1 95 VAL HB . . 5.020 3.570 2.341 4.082 . 0 0 "[ . 1 . 2]" 1 1479 1 86 LYS H 1 86 LYS QB . . 3.400 2.300 2.088 2.542 . 0 0 "[ . 1 . 2]" 1 1480 1 86 LYS H 1 86 LYS QD . . 4.690 3.074 1.978 3.694 . 0 0 "[ . 1 . 2]" 1 1481 1 86 LYS H 1 86 LYS QG . . 4.480 2.974 1.970 4.035 . 0 0 "[ . 1 . 2]" 1 1482 1 86 LYS H 1 87 SER H . . 4.460 2.734 2.563 3.032 . 0 0 "[ . 1 . 2]" 1 1483 1 86 LYS HA 1 86 LYS QD . . 3.170 2.348 1.986 3.092 . 0 0 "[ . 1 . 2]" 1 1484 1 86 LYS HA 1 86 LYS HG2 . . 3.850 3.305 2.862 3.655 . 0 0 "[ . 1 . 2]" 1 1485 1 86 LYS HA 1 86 LYS QG . . 3.300 2.594 2.208 2.977 . 0 0 "[ . 1 . 2]" 1 1486 1 86 LYS HA 1 86 LYS HG3 . . 3.850 3.032 2.232 3.835 . 0 0 "[ . 1 . 2]" 1 1487 1 86 LYS HA 1 89 GLN H . . 4.310 3.555 3.071 4.131 . 0 0 "[ . 1 . 2]" 1 1488 1 86 LYS HA 1 89 GLN QB . . 3.730 3.001 2.021 3.742 0.012 4 0 "[ . 1 . 2]" 1 1489 1 86 LYS HA 1 89 GLN HG2 . . 4.790 4.152 1.999 4.788 . 0 0 "[ . 1 . 2]" 1 1490 1 86 LYS HA 1 89 GLN QG . . 4.100 3.042 1.979 3.971 . 0 0 "[ . 1 . 2]" 1 1491 1 86 LYS HA 1 89 GLN HG3 . . 4.790 3.282 2.470 4.792 0.002 17 0 "[ . 1 . 2]" 1 1492 1 86 LYS HA 1 95 VAL QG . . 5.440 4.913 4.134 5.466 0.026 20 0 "[ . 1 . 2]" 1 1493 1 86 LYS QB 1 87 SER H . . 3.860 2.590 2.289 2.905 . 0 0 "[ . 1 . 2]" 1 1494 1 86 LYS QB 1 87 SER HA . . 4.250 3.853 3.707 3.985 . 0 0 "[ . 1 . 2]" 1 1495 1 86 LYS QE 1 86 LYS QG . . 3.290 2.240 2.071 2.667 . 0 0 "[ . 1 . 2]" 1 1496 1 87 SER H 1 87 SER QB . . 3.430 2.365 2.127 2.734 . 0 0 "[ . 1 . 2]" 1 1497 1 87 SER QB 1 88 LEU H . . 4.120 2.799 2.184 3.495 . 0 0 "[ . 1 . 2]" 1 1498 1 87 SER QB 1 91 ALA MB . . 4.280 3.984 3.675 4.280 0.000 12 0 "[ . 1 . 2]" 1 1499 1 88 LEU H 1 88 LEU HB2 . . 3.730 2.224 2.116 2.435 . 0 0 "[ . 1 . 2]" 1 1500 1 88 LEU H 1 88 LEU MD1 . . 4.780 3.325 1.975 3.987 . 0 0 "[ . 1 . 2]" 1 1501 1 88 LEU H 1 88 LEU QD . . 4.040 3.033 1.968 3.434 . 0 0 "[ . 1 . 2]" 1 1502 1 88 LEU H 1 88 LEU MD2 . . 4.780 3.847 2.348 4.362 . 0 0 "[ . 1 . 2]" 1 1503 1 88 LEU HA 1 88 LEU QD . . 3.110 2.201 1.901 2.720 . 0 0 "[ . 1 . 2]" 1 1504 1 88 LEU HA 1 91 ALA MB . . 3.270 2.022 1.931 2.446 . 0 0 "[ . 1 . 2]" 1 1505 1 88 LEU HA 1 93 ILE MD . . 3.430 2.456 1.978 3.560 0.130 20 0 "[ . 1 . 2]" 1 1506 1 88 LEU HA 1 93 ILE MG . . 5.060 4.718 3.735 5.063 0.003 7 0 "[ . 1 . 2]" 1 1507 1 88 LEU HB2 1 89 GLN H . . 3.790 2.941 2.521 3.458 . 0 0 "[ . 1 . 2]" 1 1508 1 88 LEU HB2 1 95 VAL QG . . 4.500 3.709 2.213 4.502 0.002 3 0 "[ . 1 . 2]" 1 1509 1 88 LEU HB3 1 89 GLN H . . 4.200 3.413 2.625 3.866 . 0 0 "[ . 1 . 2]" 1 1510 1 88 LEU HB3 1 93 ILE H . . 4.900 4.231 3.768 4.830 . 0 0 "[ . 1 . 2]" 1 1511 1 88 LEU HB3 1 93 ILE HB . . 4.200 2.239 1.981 3.271 . 0 0 "[ . 1 . 2]" 1 1512 1 88 LEU HB3 1 95 VAL QG . . 4.690 3.632 2.624 4.310 . 0 0 "[ . 1 . 2]" 1 1513 1 88 LEU QD 1 89 GLN H . . 5.440 4.098 3.879 4.282 . 0 0 "[ . 1 . 2]" 1 1514 1 88 LEU QD 1 91 ALA MB . . 3.660 2.860 2.074 3.658 . 0 0 "[ . 1 . 2]" 1 1515 1 88 LEU QD 1 93 ILE HB . . 4.570 2.760 2.017 3.503 . 0 0 "[ . 1 . 2]" 1 1516 1 89 GLN H 1 89 GLN QB . . 3.670 2.300 2.091 2.590 . 0 0 "[ . 1 . 2]" 1 1517 1 89 GLN H 1 89 GLN QG . . 3.970 2.644 1.978 3.772 . 0 0 "[ . 1 . 2]" 1 1518 1 89 GLN HA 1 89 GLN HG2 . . 3.910 2.599 2.193 3.727 . 0 0 "[ . 1 . 2]" 1 1519 1 89 GLN HA 1 89 GLN QG . . 3.420 2.473 2.157 3.326 . 0 0 "[ . 1 . 2]" 1 1520 1 89 GLN HA 1 89 GLN HG3 . . 3.910 3.370 2.694 3.739 . 0 0 "[ . 1 . 2]" 1 1521 1 89 GLN HA 1 95 VAL QG . . 3.880 3.405 2.349 3.933 0.053 17 0 "[ . 1 . 2]" 1 1522 1 89 GLN QB 1 90 LYS H . . 4.280 2.636 2.171 3.380 . 0 0 "[ . 1 . 2]" 1 1523 1 89 GLN QB 1 95 VAL QG . . 5.280 3.879 1.977 4.691 . 0 0 "[ . 1 . 2]" 1 1524 1 89 GLN QE 1 95 VAL QG . . 5.200 3.349 1.873 5.160 . 0 0 "[ . 1 . 2]" 1 1525 1 89 GLN QG 1 95 VAL QG . . 3.460 2.495 1.946 3.499 0.039 17 0 "[ . 1 . 2]" 1 1526 1 90 LYS H 1 90 LYS QB . . 3.150 2.308 2.150 2.474 . 0 0 "[ . 1 . 2]" 1 1527 1 90 LYS H 1 91 ALA H . . 4.040 2.322 2.299 2.497 . 0 0 "[ . 1 . 2]" 1 1528 1 90 LYS HA 1 90 LYS QD . . 3.100 2.519 2.014 3.113 0.013 10 0 "[ . 1 . 2]" 1 1529 1 90 LYS HA 1 90 LYS QG . . 3.740 2.582 2.106 2.927 . 0 0 "[ . 1 . 2]" 1 1530 1 90 LYS QB 1 90 LYS QE . . 2.930 2.381 1.973 2.951 0.021 10 0 "[ . 1 . 2]" 1 1531 1 90 LYS QB 1 91 ALA H . . 3.770 2.963 2.786 3.290 . 0 0 "[ . 1 . 2]" 1 1532 1 91 ALA H 1 92 GLY H . . 4.010 2.616 2.595 2.778 . 0 0 "[ . 1 . 2]" 1 1533 1 91 ALA H 1 93 ILE MD . . 4.900 3.704 3.417 4.567 . 0 0 "[ . 1 . 2]" 1 1534 1 91 ALA HA 1 93 ILE MD . . 4.350 4.041 3.868 4.349 . 0 0 "[ . 1 . 2]" 1 1535 1 91 ALA MB 1 93 ILE MD . . 3.430 1.930 1.843 2.208 . 0 0 "[ . 1 . 2]" 1 1536 1 91 ALA MB 1 93 ILE HG12 . . 4.550 4.139 2.073 4.428 . 0 0 "[ . 1 . 2]" 1 1537 1 91 ALA MB 1 93 ILE HG13 . . 4.550 4.073 2.682 4.469 . 0 0 "[ . 1 . 2]" 1 1538 1 92 GLY H 1 93 ILE H . . 3.940 2.074 1.939 2.684 . 0 0 "[ . 1 . 2]" 1 1539 1 93 ILE H 1 93 ILE HB . . 3.570 2.650 2.601 2.780 . 0 0 "[ . 1 . 2]" 1 1540 1 93 ILE H 1 93 ILE QG . . 4.050 3.278 2.153 3.468 . 0 0 "[ . 1 . 2]" 1 1541 1 93 ILE H 1 93 ILE MG . . 3.970 3.850 3.834 3.870 . 0 0 "[ . 1 . 2]" 1 1542 1 93 ILE H 1 94 ARG HA . . 4.840 4.809 4.700 5.012 0.172 20 0 "[ . 1 . 2]" 1 1543 1 93 ILE HA 1 93 ILE MD . . 4.230 3.332 2.179 3.878 . 0 0 "[ . 1 . 2]" 1 1544 1 93 ILE HA 1 93 ILE QG . . 3.740 2.371 2.306 3.141 . 0 0 "[ . 1 . 2]" 1 1545 1 93 ILE HA 1 93 ILE MG . . 3.510 2.334 2.291 2.382 . 0 0 "[ . 1 . 2]" 1 1546 1 93 ILE HA 1 94 ARG H . . 3.170 2.170 2.142 2.190 . 0 0 "[ . 1 . 2]" 1 1547 1 93 ILE HB 1 93 ILE MD . . 3.650 2.205 2.101 3.229 . 0 0 "[ . 1 . 2]" 1 1548 1 93 ILE HB 1 95 VAL QG . . 5.030 4.089 3.063 4.947 . 0 0 "[ . 1 . 2]" 1 1549 1 93 ILE MG 1 94 ARG H . . 4.560 2.909 2.191 3.232 . 0 0 "[ . 1 . 2]" 1 1550 1 93 ILE MG 1 94 ARG HA . . 4.350 4.172 3.807 4.414 0.064 20 0 "[ . 1 . 2]" 1 1551 1 93 ILE MG 1 94 ARG HB2 . . 5.500 4.698 4.097 5.249 . 0 0 "[ . 1 . 2]" 1 1552 1 93 ILE MG 1 94 ARG HB3 . . 5.500 4.784 4.131 5.370 . 0 0 "[ . 1 . 2]" 1 1553 1 93 ILE MG 1 95 VAL HA . . 4.340 3.959 3.506 4.332 . 0 0 "[ . 1 . 2]" 1 1554 1 93 ILE MG 1 95 VAL HB . . 5.500 3.987 3.130 5.183 . 0 0 "[ . 1 . 2]" 1 1555 1 94 ARG H 1 94 ARG QB . . 3.700 2.288 2.052 2.583 . 0 0 "[ . 1 . 2]" 1 1556 1 94 ARG HA 1 94 ARG HD2 . . 4.800 3.485 2.053 4.809 0.009 16 0 "[ . 1 . 2]" 1 1557 1 94 ARG HA 1 94 ARG QD . . 3.920 3.102 1.965 4.070 0.150 16 0 "[ . 1 . 2]" 1 1558 1 94 ARG HA 1 94 ARG HD3 . . 4.800 3.724 2.005 4.728 . 0 0 "[ . 1 . 2]" 1 1559 1 94 ARG HA 1 94 ARG HG2 . . 3.820 3.233 2.275 3.766 . 0 0 "[ . 1 . 2]" 1 1560 1 94 ARG HA 1 94 ARG QG . . 3.230 2.509 2.072 3.345 0.115 16 0 "[ . 1 . 2]" 1 1561 1 94 ARG HA 1 94 ARG HG3 . . 3.820 2.864 2.095 4.034 0.214 16 0 "[ . 1 . 2]" 1 1562 1 94 ARG HA 1 95 VAL H . . 3.080 2.161 2.140 2.197 . 0 0 "[ . 1 . 2]" 1 1563 1 94 ARG HA 1 95 VAL MG1 . . 5.500 4.391 3.512 5.507 0.007 11 0 "[ . 1 . 2]" 1 1564 1 94 ARG HA 1 95 VAL QG . . 4.260 3.640 3.472 3.877 . 0 0 "[ . 1 . 2]" 1 1565 1 94 ARG HA 1 95 VAL MG2 . . 5.500 4.790 3.553 5.530 0.030 20 0 "[ . 1 . 2]" 1 1566 1 94 ARG QB 1 94 ARG QD . . 3.200 2.173 1.966 2.593 . 0 0 "[ . 1 . 2]" 1 1567 1 94 ARG QB 1 95 VAL H . . 4.380 3.671 3.057 3.965 . 0 0 "[ . 1 . 2]" 1 1568 1 94 ARG QG 1 95 VAL H . . 5.090 3.710 2.615 4.758 . 0 0 "[ . 1 . 2]" 1 1569 1 95 VAL H 1 95 VAL HB . . 4.090 2.918 2.520 3.316 . 0 0 "[ . 1 . 2]" 1 1570 1 95 VAL H 1 95 VAL QG . . 3.760 2.130 1.909 2.804 . 0 0 "[ . 1 . 2]" 1 1571 1 95 VAL HA 1 95 VAL MG1 . . 3.320 2.817 2.203 3.200 . 0 0 "[ . 1 . 2]" 1 1572 1 95 VAL HA 1 95 VAL QG . . 2.830 2.191 2.033 2.325 . 0 0 "[ . 1 . 2]" 1 1573 1 95 VAL HA 1 95 VAL MG2 . . 3.320 2.350 2.280 2.440 . 0 0 "[ . 1 . 2]" 1 1574 1 95 VAL HA 1 96 GLU H . . 3.150 2.202 2.142 2.278 . 0 0 "[ . 1 . 2]" 1 1575 1 95 VAL HB 1 96 GLU H . . 4.260 4.024 3.725 4.272 0.012 10 0 "[ . 1 . 2]" 1 1576 1 95 VAL QG 1 96 GLU H . . 3.880 2.305 1.919 2.923 . 0 0 "[ . 1 . 2]" 1 1577 1 95 VAL QG 1 96 GLU HA . . 4.640 3.655 3.266 4.135 . 0 0 "[ . 1 . 2]" 1 1578 1 95 VAL QG 1 96 GLU QG . . 5.070 4.162 3.342 5.075 0.005 14 0 "[ . 1 . 2]" 1 1579 1 95 VAL QG 1 97 LYS HA . . 4.570 4.312 4.084 4.574 0.004 14 0 "[ . 1 . 2]" 1 1580 1 95 VAL QG 1 97 LYS HB3 . . 4.340 3.827 3.021 4.345 0.005 17 0 "[ . 1 . 2]" 1 1581 1 96 GLU H 1 96 GLU QB . . 3.650 2.633 2.183 3.130 . 0 0 "[ . 1 . 2]" 1 1582 1 96 GLU H 1 96 GLU QG . . 4.380 2.987 1.933 4.074 . 0 0 "[ . 1 . 2]" 1 1583 1 96 GLU HA 1 96 GLU QG . . 3.460 3.058 2.502 3.380 . 0 0 "[ . 1 . 2]" 1 1584 1 96 GLU HA 1 97 LYS H . . 2.980 2.161 2.143 2.283 . 0 0 "[ . 1 . 2]" 1 1585 1 96 GLU QB 1 97 LYS H . . 4.300 3.521 2.685 3.922 . 0 0 "[ . 1 . 2]" 1 1586 1 96 GLU QG 1 97 LYS H . . 4.860 3.836 3.057 4.451 . 0 0 "[ . 1 . 2]" 1 1587 1 96 GLU QG 1 97 LYS HA . . 5.040 4.057 3.540 4.987 . 0 0 "[ . 1 . 2]" 1 1588 1 97 LYS H 1 97 LYS HB2 . . 4.000 3.297 2.914 3.939 . 0 0 "[ . 1 . 2]" 1 1589 1 97 LYS H 1 97 LYS HB3 . . 3.620 2.790 2.526 3.177 . 0 0 "[ . 1 . 2]" 1 1590 1 97 LYS HA 1 97 LYS QD . . 4.250 3.180 2.007 3.824 . 0 0 "[ . 1 . 2]" 1 1591 1 97 LYS HA 1 97 LYS QE . . 4.920 4.417 2.468 4.900 . 0 0 "[ . 1 . 2]" 1 1592 1 97 LYS HA 1 97 LYS HG2 . . 4.230 2.958 2.280 4.229 . 0 0 "[ . 1 . 2]" 1 1593 1 97 LYS HA 1 97 LYS QG . . 3.670 2.673 2.252 3.431 . 0 0 "[ . 1 . 2]" 1 1594 1 97 LYS HA 1 97 LYS HG3 . . 4.230 3.469 3.243 3.629 . 0 0 "[ . 1 . 2]" 1 1595 1 97 LYS HA 1 98 GLN H . . 3.100 2.207 2.142 2.358 . 0 0 "[ . 1 . 2]" 1 1596 1 97 LYS HA 1 98 GLN QG . . 4.510 3.888 3.446 4.304 . 0 0 "[ . 1 . 2]" 1 1597 1 97 LYS HB2 1 97 LYS QE . . 4.480 3.433 2.461 4.171 . 0 0 "[ . 1 . 2]" 1 1598 1 97 LYS HB2 1 98 GLN H . . 5.210 3.987 2.612 4.552 . 0 0 "[ . 1 . 2]" 1 1599 1 97 LYS HB3 1 98 GLN H . . 4.800 4.093 3.802 4.468 . 0 0 "[ . 1 . 2]" 1 1600 1 97 LYS QD 1 98 GLN H . . 4.600 2.822 1.919 3.896 . 0 0 "[ . 1 . 2]" 1 1601 1 97 LYS QD 1 98 GLN HA . . 4.280 3.749 2.538 4.297 0.017 14 0 "[ . 1 . 2]" 1 1602 1 97 LYS QD 1 98 GLN QG . . 4.520 4.348 3.472 4.526 0.006 19 0 "[ . 1 . 2]" 1 1603 1 97 LYS QE 1 97 LYS QG . . 3.110 2.138 1.993 2.459 . 0 0 "[ . 1 . 2]" 1 1604 1 97 LYS QG 1 98 GLN H . . 4.650 2.776 2.064 4.101 . 0 0 "[ . 1 . 2]" 1 1605 1 98 GLN H 1 98 GLN QB . . 3.600 2.587 2.167 3.328 . 0 0 "[ . 1 . 2]" 1 1606 1 98 GLN H 1 98 GLN QG . . 3.910 2.545 1.948 3.442 . 0 0 "[ . 1 . 2]" 1 1607 1 98 GLN HA 1 98 GLN QG . . 3.520 2.748 2.151 3.457 . 0 0 "[ . 1 . 2]" 1 1608 1 98 GLN HA 1 99 SER H . . 2.920 2.217 2.139 2.448 . 0 0 "[ . 1 . 2]" 1 1609 1 98 GLN QB 1 98 GLN QG . . 2.350 2.054 1.968 2.085 . 0 0 "[ . 1 . 2]" 1 1610 1 99 SER H 1 99 SER QB . . 3.430 2.727 2.317 3.048 . 0 0 "[ . 1 . 2]" 1 1611 1 99 SER HA 1 99 SER QB . . 2.550 2.319 2.180 2.478 . 0 0 "[ . 1 . 2]" 1 1612 1 99 SER HA 1 100 LEU H . . 3.330 2.372 2.139 2.642 . 0 0 "[ . 1 . 2]" 1 1613 1 99 SER QB 1 100 LEU H . . 4.160 2.890 2.095 3.816 . 0 0 "[ . 1 . 2]" 1 1614 1 100 LEU H 1 100 LEU HG . . 3.190 2.614 1.971 3.189 . 0 0 "[ . 1 . 2]" 1 1615 1 100 LEU HA 1 100 LEU MD1 . . 4.410 3.791 3.351 4.091 . 0 0 "[ . 1 . 2]" 1 1616 1 100 LEU HA 1 100 LEU QD . . 3.430 2.809 2.179 3.394 . 0 0 "[ . 1 . 2]" 1 1617 1 100 LEU HA 1 100 LEU MD2 . . 4.410 3.079 2.191 4.088 . 0 0 "[ . 1 . 2]" 1 1618 1 100 LEU HA 1 101 VAL H . . 3.290 2.305 2.161 2.554 . 0 0 "[ . 1 . 2]" 1 1619 1 100 LEU HA 1 101 VAL HA . . 4.600 4.414 4.305 4.603 0.003 8 0 "[ . 1 . 2]" 1 1620 1 100 LEU HA 1 101 VAL QG . . 4.190 3.487 3.144 3.863 . 0 0 "[ . 1 . 2]" 1 1621 1 101 VAL H 1 101 VAL HB . . 4.010 3.223 2.498 3.797 . 0 0 "[ . 1 . 2]" 1 1622 1 101 VAL H 1 101 VAL MG1 . . 4.430 2.890 2.007 3.890 . 0 0 "[ . 1 . 2]" 1 1623 1 101 VAL H 1 101 VAL QG . . 3.870 2.108 1.870 2.597 . 0 0 "[ . 1 . 2]" 1 1624 1 101 VAL H 1 101 VAL MG2 . . 4.430 2.515 1.957 3.892 . 0 0 "[ . 1 . 2]" 1 1625 1 101 VAL HA 1 102 PHE H . . 3.280 2.244 2.143 2.365 . 0 0 "[ . 1 . 2]" 1 1626 1 101 VAL HA 1 102 PHE QD . . 5.420 4.314 3.471 5.419 . 0 0 "[ . 1 . 2]" 1 1627 1 101 VAL HB 1 102 PHE H . . 4.880 3.381 2.471 4.323 . 0 0 "[ . 1 . 2]" 1 1628 1 102 PHE HA 1 102 PHE QD . . 3.790 3.082 2.192 3.728 . 0 0 "[ . 1 . 2]" 1 stop_ save_
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