NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
469554 | 1ahk | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1ahk 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 862 _Distance_constraint_stats_list.Viol_count 91 _Distance_constraint_stats_list.Viol_total 6.741 _Distance_constraint_stats_list.Viol_max 0.413 _Distance_constraint_stats_list.Viol_rms 0.0355 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0078 _Distance_constraint_stats_list.Viol_average_violations_only 0.0741 _Distance_constraint_stats_list.Cutoff_violation_report 0.500 _Distance_constraint_stats_list.Details ; Description of the tags in this list: * 1 * Administrative tag * 2 * Administrative tag * 3 * Administrative tag * 4 * ID of the restraint list. * 5 * Number of restraints in list. * 6 * Number of violated restraints (each model violation is used). * 7 * Sum of violations in Angstrom. * 8 * Maximum violation of a restraint without averaging in any way. * 9 * Rms of violations over all restraints. * 10 * Average violation over all restraints. * 11 * Average violation over violated restraints. This violation is averaged over only those models in which the restraint is violated. These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998). * 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table. * 13 * This tag Description of the tags in the per residue table below: * 1 * Chain identifier (can be absent if none defined) * 2 * Residue number * 3 * Residue name * 4 * Maximum violation in ensemble of models (without any averaging) * 5 * Model number with the maximum violation * 6 * Number of models with a violation above cutoff * 7 * List of models (1 character per model) with a violation above cutoff. An '*' marks a violation above the cutoff. A '+' indicates the largest violation above the cutoff and a '-' marks the smallest violation over cutoff. For models 5, 15, 25,... a ' ' is replaced by a '.'. For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1. * 8 * Administrative tag * 9 * Administrative tag Description of the tags in the per restraint table below: * 1 * Restraint ID within restraint list. First node, FIRST member, first atom's: * 2 * Chain identifier (can be absent if none defined) * 3 * Residue number * 4 * Residue name * 5 * Name of (pseudo-)atom First node, SECOND member, first atom's: * 6 * Chain identifier (can be absent if none defined) * 7 * Residue number * 8 * Residue name * 9 * Name of (pseudo-)atom FIRST node's: * 10 * Target distance value (Angstrom) * 11 * Lower bound distance (Angstrom) * 12 * Upper bound distance (Angstrom) * 13 * Average distance in ensemble of models * 14 * Minimum distance in ensemble of models * 15 * Maximum distance in ensemble of models * 16 * Maximum violation (without any averaging) * 17 * Model number with the maximum violation * 18 * Number of models with a violation above cutoff * 19 * List of models with a violation above cutoff. See description above. * 20 * Administrative tag * 21 * Administrative tag ; loop_ _Distance_constraint_stats_per_res.Atom_entity_assembly_ID _Distance_constraint_stats_per_res.Atom_comp_index_ID _Distance_constraint_stats_per_res.Atom_comp_ID _Distance_constraint_stats_per_res.Total_violation _Distance_constraint_stats_per_res.Max_violation _Distance_constraint_stats_per_res.Max_violation_model_number _Distance_constraint_stats_per_res.Over_cutoff_viol_count _Distance_constraint_stats_per_res.Over_cutoff_viol_per_model 1 1 ASP 0.000 0.000 . 0 "[ ]" 1 2 GLN 0.058 0.058 1 0 "[ ]" 1 3 VAL 0.035 0.019 1 0 "[ ]" 1 4 ASP 0.000 0.000 . 0 "[ ]" 1 5 VAL 0.000 0.000 . 0 "[ ]" 1 6 LYS 0.027 0.027 1 0 "[ ]" 1 7 ASP 0.009 0.009 1 0 "[ ]" 1 8 CYS 0.000 0.000 . 0 "[ ]" 1 9 ALA 0.000 0.000 . 0 "[ ]" 1 10 ASN 0.000 0.000 . 0 "[ ]" 1 11 ASN 0.000 0.000 . 0 "[ ]" 1 12 GLU 0.000 0.000 . 0 "[ ]" 1 13 ILE 0.207 0.097 1 0 "[ ]" 1 14 LYS 0.097 0.097 1 0 "[ ]" 1 15 LYS 0.110 0.091 1 0 "[ ]" 1 16 VAL 0.000 0.000 . 0 "[ ]" 1 17 MET 0.100 0.058 1 0 "[ ]" 1 18 VAL 0.117 0.087 1 0 "[ ]" 1 19 ASP 0.000 0.000 . 0 "[ ]" 1 20 GLY 0.000 0.000 . 0 "[ ]" 1 21 CYS 0.590 0.305 1 0 "[ ]" 1 22 HIS 0.185 0.177 1 0 "[ ]" 1 23 GLY 0.212 0.177 1 0 "[ ]" 1 24 SER 0.011 0.011 1 0 "[ ]" 1 25 ASP 0.117 0.117 1 0 "[ ]" 1 26 PRO 0.117 0.117 1 0 "[ ]" 1 27 CYS 0.000 0.000 . 0 "[ ]" 1 28 ILE 0.000 0.000 . 0 "[ ]" 1 29 ILE 0.346 0.305 1 0 "[ ]" 1 30 HIS 0.241 0.241 1 0 "[ ]" 1 31 ARG 0.209 0.161 1 0 "[ ]" 1 32 GLY 0.000 0.000 . 0 "[ ]" 1 33 LYS 0.088 0.088 1 0 "[ ]" 1 34 PRO 0.000 0.000 . 0 "[ ]" 1 35 PHE 0.000 0.000 . 0 "[ ]" 1 36 THR 0.071 0.071 1 0 "[ ]" 1 37 LEU 0.100 0.087 1 0 "[ ]" 1 38 GLU 0.036 0.036 1 0 "[ ]" 1 39 ALA 0.042 0.042 1 0 "[ ]" 1 40 LEU 0.160 0.078 1 0 "[ ]" 1 41 PHE 0.330 0.252 1 0 "[ ]" 1 42 ASP 0.000 0.000 . 0 "[ ]" 1 43 ALA 0.232 0.216 1 0 "[ ]" 1 44 ASN 0.000 0.000 . 0 "[ ]" 1 45 GLN 0.242 0.181 1 0 "[ ]" 1 46 ASN 0.181 0.181 1 0 "[ ]" 1 47 THR 0.332 0.303 1 0 "[ ]" 1 48 LYS 0.027 0.024 1 0 "[ ]" 1 49 THR 0.000 0.000 . 0 "[ ]" 1 50 ALA 0.000 0.000 . 0 "[ ]" 1 51 LYS 0.320 0.209 1 0 "[ ]" 1 52 ILE 0.029 0.013 1 0 "[ ]" 1 53 GLU 0.000 0.000 . 0 "[ ]" 1 54 ILE 0.350 0.125 1 0 "[ ]" 1 55 LYS 0.152 0.114 1 0 "[ ]" 1 56 ALA 0.046 0.046 1 0 "[ ]" 1 57 SER 0.035 0.035 1 0 "[ ]" 1 58 LEU 0.438 0.177 1 0 "[ ]" 1 59 ASP 0.218 0.177 1 0 "[ ]" 1 60 GLY 0.000 0.000 . 0 "[ ]" 1 61 LEU 0.157 0.157 1 0 "[ ]" 1 62 GLU 0.013 0.013 1 0 "[ ]" 1 63 ILE 0.087 0.087 1 0 "[ ]" 1 64 ASP 0.121 0.087 1 0 "[ ]" 1 65 VAL 0.093 0.093 1 0 "[ ]" 1 66 PRO 0.061 0.061 1 0 "[ ]" 1 67 GLY 0.061 0.061 1 0 "[ ]" 1 68 ILE 0.000 0.000 . 0 "[ ]" 1 69 ASP 0.000 0.000 . 0 "[ ]" 1 70 THR 0.000 0.000 . 0 "[ ]" 1 71 ASN 0.036 0.036 1 0 "[ ]" 1 72 ALA 0.062 0.062 1 0 "[ ]" 1 73 CYS 0.090 0.090 1 0 "[ ]" 1 74 HIS 0.000 0.000 . 0 "[ ]" 1 75 PHE 0.000 0.000 . 0 "[ ]" 1 76 VAL 0.050 0.050 1 0 "[ ]" 1 77 LYS 0.050 0.050 1 0 "[ ]" 1 78 CYS 0.090 0.090 1 0 "[ ]" 1 79 PRO 0.003 0.003 1 0 "[ ]" 1 80 LEU 0.698 0.303 1 0 "[ ]" 1 81 VAL 0.433 0.357 1 0 "[ ]" 1 82 LYS 0.147 0.048 1 0 "[ ]" 1 83 GLY 0.035 0.035 1 0 "[ ]" 1 84 GLN 0.216 0.216 1 0 "[ ]" 1 85 GLN 0.000 0.000 . 0 "[ ]" 1 86 TYR 0.323 0.252 1 0 "[ ]" 1 87 ASP 0.011 0.009 1 0 "[ ]" 1 88 ILE 0.160 0.131 1 0 "[ ]" 1 89 LYS 0.195 0.131 1 0 "[ ]" 1 90 TYR 0.013 0.013 1 0 "[ ]" 1 91 THR 0.071 0.071 1 0 "[ ]" 1 92 TRP 0.073 0.073 1 0 "[ ]" 1 93 ASN 0.000 0.000 . 0 "[ ]" 1 94 VAL 0.160 0.088 1 0 "[ ]" 1 95 PRO 0.005 0.005 1 0 "[ ]" 1 96 LYS 0.000 0.000 . 0 "[ ]" 1 97 ILE 0.284 0.161 1 0 "[ ]" 1 98 ALA 0.043 0.043 1 0 "[ ]" 1 99 PRO 0.043 0.043 1 0 "[ ]" 1 100 LYS 0.173 0.159 1 0 "[ ]" 1 101 SER 0.039 0.039 1 0 "[ ]" 1 102 GLU 0.000 0.000 . 0 "[ ]" 1 103 ASN 0.039 0.039 1 0 "[ ]" 1 104 VAL 0.000 0.000 . 0 "[ ]" 1 105 VAL 0.000 0.000 . 0 "[ ]" 1 106 VAL 0.111 0.046 1 0 "[ ]" 1 107 THR 0.000 0.000 . 0 "[ ]" 1 108 VAL 0.241 0.125 1 0 "[ ]" 1 109 LYS 0.103 0.081 1 0 "[ ]" 1 110 LEU 0.011 0.010 1 0 "[ ]" 1 111 ILE 0.209 0.209 1 0 "[ ]" 1 112 GLY 0.002 0.002 1 0 "[ ]" 1 113 ASP 0.490 0.413 1 0 "[ ]" 1 114 ASN 0.529 0.413 1 0 "[ ]" 1 115 GLY 0.010 0.010 1 0 "[ ]" 1 116 VAL 0.002 0.002 1 0 "[ ]" 1 117 LEU 0.065 0.055 1 0 "[ ]" 1 118 ALA 0.008 0.008 1 0 "[ ]" 1 119 CYS 0.000 0.000 . 0 "[ ]" 1 120 ALA 0.000 0.000 . 0 "[ ]" 1 121 ILE 0.035 0.027 1 0 "[ ]" 1 122 ALA 0.042 0.031 1 0 "[ ]" 1 123 THR 0.000 0.000 . 0 "[ ]" 1 124 HIS 0.000 0.000 . 0 "[ ]" 1 125 GLY 0.000 0.000 . 0 "[ ]" 1 126 LYS 0.006 0.006 1 0 "[ ]" 1 127 ILE 0.000 0.000 . 0 "[ ]" 1 128 ARG 0.159 0.159 1 0 "[ ]" 1 129 ASP 0.000 0.000 . 0 "[ ]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 1 ASP HA 1 2 GLN H 1.800 . 3.030 2.183 2.183 2.183 . 0 0 "[ ]" 1 2 1 1 ASP QB 1 2 GLN H 1.800 . 3.800 3.371 3.371 3.371 . 0 0 "[ ]" 1 3 1 1 ASP HA 1 2 GLN QG 1.800 . 3.880 3.479 3.479 3.479 . 0 0 "[ ]" 1 4 1 2 GLN H 1 2 GLN QB 1.800 . 3.460 2.728 2.728 2.728 . 0 0 "[ ]" 1 5 1 2 GLN H 1 2 GLN QG 1.800 . 4.410 1.808 1.808 1.808 . 0 0 "[ ]" 1 6 1 2 GLN HA 1 2 GLN QG 1.800 . 3.530 3.240 3.240 3.240 . 0 0 "[ ]" 1 7 1 2 GLN QB 1 2 GLN QG 1.800 . 3.750 2.090 2.090 2.090 . 0 0 "[ ]" 1 8 1 2 GLN HA 1 3 VAL H 1.800 . 2.930 2.599 2.599 2.599 . 0 0 "[ ]" 1 9 1 2 GLN QG 1 3 VAL H 1.800 . 4.050 3.659 3.659 3.659 . 0 0 "[ ]" 1 10 1 2 GLN HA 1 17 MET HA 1.800 . 2.500 2.558 2.558 2.558 0.058 1 0 "[ ]" 1 11 1 2 GLN HA 1 17 MET QG 1.800 . 3.830 2.777 2.777 2.777 . 0 0 "[ ]" 1 12 1 2 GLN QG 1 17 MET QG 1.800 . 4.180 3.256 3.256 3.256 . 0 0 "[ ]" 1 13 1 3 VAL H 1 3 VAL HB 1.800 . 3.580 3.555 3.555 3.555 . 0 0 "[ ]" 1 14 1 3 VAL H 1 3 VAL QG 1.800 . 3.880 2.206 2.206 2.206 . 0 0 "[ ]" 1 15 1 3 VAL HB 1 3 VAL QG 1.800 . 3.430 1.913 1.913 1.913 . 0 0 "[ ]" 1 16 1 3 VAL HA 1 4 ASP H 1.800 . 3.080 2.851 2.851 2.851 . 0 0 "[ ]" 1 17 1 3 VAL HB 1 4 ASP H 1.800 . 3.440 1.853 1.853 1.853 . 0 0 "[ ]" 1 18 1 3 VAL QG 1 4 ASP H 1.800 . 5.020 2.614 2.614 2.614 . 0 0 "[ ]" 1 19 1 3 VAL H 1 17 MET QB 1.800 . 4.420 4.016 4.016 4.016 . 0 0 "[ ]" 1 20 1 3 VAL QG 1 17 MET HA 1.800 . 4.700 3.092 3.092 3.092 . 0 0 "[ ]" 1 21 1 3 VAL QG 1 21 CYS QB 1.800 . 4.770 3.149 3.149 3.149 . 0 0 "[ ]" 1 22 1 3 VAL QG 1 22 HIS QB 1.800 . 5.060 3.421 3.421 3.421 . 0 0 "[ ]" 1 23 1 3 VAL HA 1 23 GLY H 1.800 . 3.520 3.539 3.539 3.539 0.019 1 0 "[ ]" 1 24 1 3 VAL QG 1 23 GLY H 1.800 . 5.050 1.784 1.784 1.784 0.016 1 0 "[ ]" 1 25 1 4 ASP H 1 4 ASP QB 1.800 . 3.710 2.399 2.399 2.399 . 0 0 "[ ]" 1 26 1 4 ASP HA 1 5 VAL H 1.800 . 2.850 2.556 2.556 2.556 . 0 0 "[ ]" 1 27 1 5 VAL H 1 5 VAL QG 1.800 . 3.890 1.861 1.861 1.861 . 0 0 "[ ]" 1 28 1 5 VAL HA 1 5 VAL HB 1.800 . 3.140 2.559 2.559 2.559 . 0 0 "[ ]" 1 29 1 5 VAL HA 1 5 VAL QG 1.800 . 3.680 2.124 2.124 2.124 . 0 0 "[ ]" 1 30 1 5 VAL HB 1 5 VAL QG 1.800 . 3.520 1.904 1.904 1.904 . 0 0 "[ ]" 1 31 1 5 VAL HA 1 6 LYS H 1.800 . 3.040 2.239 2.239 2.239 . 0 0 "[ ]" 1 32 1 5 VAL HB 1 6 LYS H 1.800 . 3.210 3.188 3.188 3.188 . 0 0 "[ ]" 1 33 1 5 VAL QG 1 6 LYS H 1.800 . 4.840 3.490 3.490 3.490 . 0 0 "[ ]" 1 34 1 5 VAL HB 1 120 ALA MB 1.800 . 3.440 2.875 2.875 2.875 . 0 0 "[ ]" 1 35 1 5 VAL HB 1 121 ILE H 1.800 . 3.810 2.883 2.883 2.883 . 0 0 "[ ]" 1 36 1 5 VAL QG 1 122 ALA HA 1.800 . 4.470 3.323 3.323 3.323 . 0 0 "[ ]" 1 37 1 6 LYS QB 1 6 LYS QG 1.800 . 3.560 2.100 2.100 2.100 . 0 0 "[ ]" 1 38 1 6 LYS QE 1 6 LYS QG 1.800 . 3.890 2.002 2.002 2.002 . 0 0 "[ ]" 1 39 1 6 LYS HA 1 7 ASP H 1.800 . 2.950 2.316 2.316 2.316 . 0 0 "[ ]" 1 40 1 6 LYS QB 1 7 ASP H 1.800 . 4.280 3.842 3.842 3.842 . 0 0 "[ ]" 1 41 1 6 LYS H 1 121 ILE HB 1.800 . 3.960 3.987 3.987 3.987 0.027 1 0 "[ ]" 1 42 1 6 LYS QB 1 121 ILE MD 1.800 . 4.320 2.867 2.867 2.867 . 0 0 "[ ]" 1 43 1 7 ASP H 1 7 ASP QB 1.800 . 3.350 2.716 2.716 2.716 . 0 0 "[ ]" 1 44 1 7 ASP HA 1 8 CYS H 1.800 . 2.830 2.455 2.455 2.455 . 0 0 "[ ]" 1 45 1 7 ASP QB 1 8 CYS H 1.800 . 3.680 2.463 2.463 2.463 . 0 0 "[ ]" 1 46 1 7 ASP HA 1 120 ALA HA 1.800 . 2.500 2.213 2.213 2.213 . 0 0 "[ ]" 1 47 1 7 ASP HA 1 120 ALA MB 1.800 . 4.080 3.333 3.333 3.333 . 0 0 "[ ]" 1 48 1 7 ASP HA 1 121 ILE H 1.800 . 3.930 3.939 3.939 3.939 0.009 1 0 "[ ]" 1 49 1 8 CYS H 1 9 ALA H 1.800 . 3.240 2.674 2.674 2.674 . 0 0 "[ ]" 1 50 1 8 CYS HA 1 9 ALA H 1.800 . 3.550 2.766 2.766 2.766 . 0 0 "[ ]" 1 51 1 8 CYS QB 1 116 VAL QG 1.800 . 4.870 2.349 2.349 2.349 . 0 0 "[ ]" 1 52 1 9 ALA H 1 9 ALA MB 1.800 . 3.890 2.128 2.128 2.128 . 0 0 "[ ]" 1 53 1 9 ALA MB 1 10 ASN H 1.800 . 3.320 2.023 2.023 2.023 . 0 0 "[ ]" 1 54 1 9 ALA MB 1 10 ASN QB 1.800 . 3.860 2.977 2.977 2.977 . 0 0 "[ ]" 1 55 1 9 ALA MB 1 13 ILE H 1.800 . 4.460 3.115 3.115 3.115 . 0 0 "[ ]" 1 56 1 9 ALA MB 1 41 PHE QB 1.800 . 3.710 2.799 2.799 2.799 . 0 0 "[ ]" 1 57 1 9 ALA MB 1 118 ALA MB 1.800 . 3.850 2.489 2.489 2.489 . 0 0 "[ ]" 1 58 1 9 ALA MB 1 119 CYS H 1.800 . 4.120 3.434 3.434 3.434 . 0 0 "[ ]" 1 59 1 10 ASN H 1 11 ASN H 1.800 . 3.940 1.863 1.863 1.863 . 0 0 "[ ]" 1 60 1 10 ASN HA 1 11 ASN H 1.800 . 3.470 2.912 2.912 2.912 . 0 0 "[ ]" 1 61 1 11 ASN H 1 12 GLU H 1.800 . 3.900 2.754 2.754 2.754 . 0 0 "[ ]" 1 62 1 12 GLU QB 1 12 GLU QG 1.800 . 3.840 2.050 2.050 2.050 . 0 0 "[ ]" 1 63 1 12 GLU HA 1 12 GLU QG 1.800 . 3.860 2.485 2.485 2.485 . 0 0 "[ ]" 1 64 1 12 GLU H 1 13 ILE H 1.800 . 3.790 1.928 1.928 1.928 . 0 0 "[ ]" 1 65 1 12 GLU QB 1 13 ILE H 1.800 . 4.160 3.150 3.150 3.150 . 0 0 "[ ]" 1 66 1 12 GLU QG 1 44 ASN QD 1.800 . 4.920 3.914 3.914 3.914 . 0 0 "[ ]" 1 67 1 13 ILE H 1 13 ILE HB 1.800 . 3.020 2.622 2.622 2.622 . 0 0 "[ ]" 1 68 1 13 ILE H 1 13 ILE QG 1.800 . 3.970 2.054 2.054 2.054 . 0 0 "[ ]" 1 69 1 13 ILE HA 1 13 ILE MG 1.800 . 3.860 2.317 2.317 2.317 . 0 0 "[ ]" 1 70 1 13 ILE HA 1 13 ILE QG 1.800 . 3.850 2.301 2.301 2.301 . 0 0 "[ ]" 1 71 1 13 ILE HA 1 14 LYS H 1.800 . 2.900 2.253 2.253 2.253 . 0 0 "[ ]" 1 72 1 13 ILE HB 1 14 LYS H 1.800 . 3.840 3.937 3.937 3.937 0.097 1 0 "[ ]" 1 73 1 13 ILE HA 1 15 LYS H 1.800 . 3.760 3.851 3.851 3.851 0.091 1 0 "[ ]" 1 74 1 13 ILE MG 1 15 LYS H 1.800 . 3.810 1.781 1.781 1.781 0.019 1 0 "[ ]" 1 75 1 13 ILE MG 1 16 VAL HB 1.800 . 3.730 2.018 2.018 2.018 . 0 0 "[ ]" 1 76 1 13 ILE MD 1 39 ALA MB 1.800 . 3.730 2.610 2.610 2.610 . 0 0 "[ ]" 1 77 1 13 ILE HA 1 41 PHE HA 1.800 . 2.500 2.046 2.046 2.046 . 0 0 "[ ]" 1 78 1 13 ILE HA 1 41 PHE QB 1.800 . 3.730 2.497 2.497 2.497 . 0 0 "[ ]" 1 79 1 13 ILE MG 1 41 PHE QB 1.800 . 4.640 3.313 3.313 3.313 . 0 0 "[ ]" 1 80 1 13 ILE QG 1 41 PHE QD 1.800 . 4.050 3.130 3.130 3.130 . 0 0 "[ ]" 1 81 1 13 ILE HA 1 42 ASP H 1.800 . 3.870 3.742 3.742 3.742 . 0 0 "[ ]" 1 82 1 13 ILE MD 1 119 CYS H 1.800 . 4.170 3.508 3.508 3.508 . 0 0 "[ ]" 1 83 1 14 LYS H 1 14 LYS QB 1.800 . 3.640 2.905 2.905 2.905 . 0 0 "[ ]" 1 84 1 14 LYS H 1 14 LYS QG 1.800 . 3.940 1.921 1.921 1.921 . 0 0 "[ ]" 1 85 1 14 LYS QB 1 14 LYS QG 1.800 . 3.800 2.087 2.087 2.087 . 0 0 "[ ]" 1 86 1 14 LYS QE 1 14 LYS QG 1.800 . 4.340 2.130 2.130 2.130 . 0 0 "[ ]" 1 87 1 14 LYS QB 1 14 LYS QD 1.800 . 3.910 2.285 2.285 2.285 . 0 0 "[ ]" 1 88 1 14 LYS QD 1 14 LYS QE 1.800 . 3.910 2.052 2.052 2.052 . 0 0 "[ ]" 1 89 1 14 LYS H 1 15 LYS H 1.800 . 3.060 2.122 2.122 2.122 . 0 0 "[ ]" 1 90 1 14 LYS QB 1 15 LYS H 1.800 . 3.490 3.114 3.114 3.114 . 0 0 "[ ]" 1 91 1 14 LYS QB 1 15 LYS QB 1.800 . 3.410 2.806 2.806 2.806 . 0 0 "[ ]" 1 92 1 14 LYS QG 1 41 PHE HA 1.800 . 3.840 2.554 2.554 2.554 . 0 0 "[ ]" 1 93 1 15 LYS QB 1 15 LYS QD 1.800 . 3.380 2.318 2.318 2.318 . 0 0 "[ ]" 1 94 1 15 LYS QD 1 15 LYS QG 1.800 . 2.760 2.015 2.015 2.015 . 0 0 "[ ]" 1 95 1 15 LYS QE 1 15 LYS QG 1.800 . 3.620 2.479 2.479 2.479 . 0 0 "[ ]" 1 96 1 15 LYS HA 1 16 VAL H 1.800 . 2.900 2.193 2.193 2.193 . 0 0 "[ ]" 1 97 1 15 LYS QB 1 16 VAL H 1.800 . 4.050 3.725 3.725 3.725 . 0 0 "[ ]" 1 98 1 15 LYS QG 1 16 VAL H 1.800 . 4.380 3.474 3.474 3.474 . 0 0 "[ ]" 1 99 1 15 LYS H 1 40 LEU H 1.800 . 3.620 3.093 3.093 3.093 . 0 0 "[ ]" 1 100 1 15 LYS QB 1 40 LEU H 1.800 . 4.210 3.822 3.822 3.822 . 0 0 "[ ]" 1 101 1 15 LYS QB 1 40 LEU QB 1.800 . 3.940 2.922 2.922 2.922 . 0 0 "[ ]" 1 102 1 15 LYS QE 1 40 LEU QD 1.800 . 5.010 2.512 2.512 2.512 . 0 0 "[ ]" 1 103 1 16 VAL H 1 16 VAL HB 1.800 . 3.370 3.206 3.206 3.206 . 0 0 "[ ]" 1 104 1 16 VAL H 1 16 VAL QG 1.800 . 4.540 1.912 1.912 1.912 . 0 0 "[ ]" 1 105 1 16 VAL HA 1 16 VAL QG 1.800 . 3.960 2.258 2.258 2.258 . 0 0 "[ ]" 1 106 1 16 VAL HB 1 16 VAL QG 1.800 . 3.620 1.888 1.888 1.888 . 0 0 "[ ]" 1 107 1 16 VAL HA 1 17 MET H 1.800 . 2.940 2.196 2.196 2.196 . 0 0 "[ ]" 1 108 1 16 VAL QG 1 17 MET H 1.800 . 4.160 2.847 2.847 2.847 . 0 0 "[ ]" 1 109 1 16 VAL HA 1 38 GLU QB 1.800 . 3.880 3.480 3.480 3.480 . 0 0 "[ ]" 1 110 1 16 VAL HA 1 39 ALA HA 1.800 . 2.500 1.914 1.914 1.914 . 0 0 "[ ]" 1 111 1 16 VAL QG 1 39 ALA HA 1.800 . 4.440 2.371 2.371 2.371 . 0 0 "[ ]" 1 112 1 17 MET H 1 17 MET QB 1.800 . 3.600 2.818 2.818 2.818 . 0 0 "[ ]" 1 113 1 17 MET H 1 17 MET QG 1.800 . 4.230 3.389 3.389 3.389 . 0 0 "[ ]" 1 114 1 17 MET HA 1 17 MET QG 1.800 . 3.760 2.372 2.372 2.372 . 0 0 "[ ]" 1 115 1 17 MET QB 1 17 MET QG 1.800 . 3.570 2.048 2.048 2.048 . 0 0 "[ ]" 1 116 1 17 MET HA 1 18 VAL H 1.800 . 2.900 2.686 2.686 2.686 . 0 0 "[ ]" 1 117 1 17 MET QB 1 18 VAL H 1.800 . 3.800 2.014 2.014 2.014 . 0 0 "[ ]" 1 118 1 17 MET H 1 39 ALA HA 1.800 . 3.680 3.722 3.722 3.722 0.042 1 0 "[ ]" 1 119 1 18 VAL H 1 18 VAL HB 1.800 . 3.340 3.370 3.370 3.370 0.030 1 0 "[ ]" 1 120 1 18 VAL H 1 18 VAL QG 1.800 . 4.460 2.324 2.324 2.324 . 0 0 "[ ]" 1 121 1 18 VAL HB 1 18 VAL QG 1.800 . 3.810 1.911 1.911 1.911 . 0 0 "[ ]" 1 122 1 18 VAL HA 1 19 ASP H 1.800 . 2.870 2.198 2.198 2.198 . 0 0 "[ ]" 1 123 1 18 VAL HB 1 19 ASP H 1.800 . 4.030 3.878 3.878 3.878 . 0 0 "[ ]" 1 124 1 18 VAL QG 1 19 ASP H 1.800 . 4.270 2.936 2.936 2.936 . 0 0 "[ ]" 1 125 1 18 VAL HB 1 21 CYS QB 1.800 . 3.490 2.728 2.728 2.728 . 0 0 "[ ]" 1 126 1 18 VAL QG 1 21 CYS QB 1.800 . 4.770 2.916 2.916 2.916 . 0 0 "[ ]" 1 127 1 18 VAL HA 1 37 LEU HA 1.800 . 2.500 2.206 2.206 2.206 . 0 0 "[ ]" 1 128 1 18 VAL QG 1 37 LEU HA 1.800 . 4.410 1.713 1.713 1.713 0.087 1 0 "[ ]" 1 129 1 19 ASP H 1 19 ASP QB 1.800 . 3.520 2.062 2.062 2.062 . 0 0 "[ ]" 1 130 1 19 ASP QB 1 35 PHE HA 1.800 . 3.980 2.183 2.183 2.183 . 0 0 "[ ]" 1 131 1 19 ASP QB 1 36 THR H 1.800 . 4.210 2.411 2.411 2.411 . 0 0 "[ ]" 1 132 1 19 ASP QB 1 36 THR HB 1.800 . 3.710 3.334 3.334 3.334 . 0 0 "[ ]" 1 133 1 19 ASP H 1 37 LEU HA 1.800 . 3.780 3.431 3.431 3.431 . 0 0 "[ ]" 1 134 1 20 GLY QA 1 21 CYS H 1.800 . 4.430 2.159 2.159 2.159 . 0 0 "[ ]" 1 135 1 21 CYS HA 1 22 HIS H 1.800 . 3.560 3.568 3.568 3.568 0.008 1 0 "[ ]" 1 136 1 21 CYS HA 1 29 ILE H 1.800 . 3.820 3.746 3.746 3.746 . 0 0 "[ ]" 1 137 1 21 CYS HA 1 29 ILE HB 1.800 . 3.330 3.635 3.635 3.635 0.305 1 0 "[ ]" 1 138 1 21 CYS QB 1 29 ILE MG 1.800 . 4.670 1.765 1.765 1.765 0.035 1 0 "[ ]" 1 139 1 21 CYS HA 1 30 HIS H 1.800 . 3.610 3.851 3.851 3.851 0.241 1 0 "[ ]" 1 140 1 22 HIS H 1 23 GLY H 1.800 . 3.720 3.897 3.897 3.897 0.177 1 0 "[ ]" 1 141 1 22 HIS HA 1 23 GLY H 1.800 . 3.250 2.168 2.168 2.168 . 0 0 "[ ]" 1 142 1 23 GLY QA 1 24 SER H 1.800 . 3.730 2.312 2.312 2.312 . 0 0 "[ ]" 1 143 1 24 SER QB 1 25 ASP H 1.800 . 4.370 1.834 1.834 1.834 . 0 0 "[ ]" 1 144 1 24 SER H 1 122 ALA HA 1.800 . 3.680 3.691 3.691 3.691 0.011 1 0 "[ ]" 1 145 1 25 ASP H 1 25 ASP QB 1.800 . 3.390 2.099 2.099 2.099 . 0 0 "[ ]" 1 146 1 25 ASP HA 1 26 PRO QD 1.800 . 3.130 2.409 2.409 2.409 . 0 0 "[ ]" 1 147 1 25 ASP QB 1 26 PRO QD 1.800 . 3.750 1.683 1.683 1.683 0.117 1 0 "[ ]" 1 148 1 25 ASP H 1 26 PRO QD 1.800 . 4.390 4.177 4.177 4.177 . 0 0 "[ ]" 1 149 1 26 PRO QD 1 26 PRO QG 1.800 . 4.040 1.968 1.968 1.968 . 0 0 "[ ]" 1 150 1 26 PRO HA 1 27 CYS H 1.800 . 2.960 2.325 2.325 2.325 . 0 0 "[ ]" 1 151 1 26 PRO QB 1 27 CYS H 1.800 . 4.380 3.879 3.879 3.879 . 0 0 "[ ]" 1 152 1 27 CYS H 1 27 CYS QB 1.800 . 3.730 2.340 2.340 2.340 . 0 0 "[ ]" 1 153 1 27 CYS HA 1 28 ILE H 1.800 . 2.810 2.251 2.251 2.251 . 0 0 "[ ]" 1 154 1 27 CYS QB 1 125 GLY QA 1.800 . 4.450 2.549 2.549 2.549 . 0 0 "[ ]" 1 155 1 28 ILE H 1 28 ILE HB 1.800 . 3.100 2.533 2.533 2.533 . 0 0 "[ ]" 1 156 1 28 ILE H 1 28 ILE MG 1.800 . 4.690 3.787 3.787 3.787 . 0 0 "[ ]" 1 157 1 28 ILE H 1 28 ILE QG 1.800 . 3.700 2.551 2.551 2.551 . 0 0 "[ ]" 1 158 1 28 ILE H 1 28 ILE MD 1.800 . 4.440 3.719 3.719 3.719 . 0 0 "[ ]" 1 159 1 28 ILE HA 1 28 ILE MG 1.800 . 3.520 2.259 2.259 2.259 . 0 0 "[ ]" 1 160 1 28 ILE HA 1 28 ILE MD 1.800 . 3.660 1.851 1.851 1.851 . 0 0 "[ ]" 1 161 1 28 ILE HB 1 28 ILE MD 1.800 . 3.500 3.138 3.138 3.138 . 0 0 "[ ]" 1 162 1 28 ILE HA 1 29 ILE H 1.800 . 2.860 2.237 2.237 2.237 . 0 0 "[ ]" 1 163 1 28 ILE MG 1 29 ILE H 1.800 . 3.950 2.054 2.054 2.054 . 0 0 "[ ]" 1 164 1 28 ILE HA 1 29 ILE QG 1.800 . 3.720 2.910 2.910 2.910 . 0 0 "[ ]" 1 165 1 28 ILE MG 1 29 ILE QG 1.800 . 4.450 3.494 3.494 3.494 . 0 0 "[ ]" 1 166 1 28 ILE HA 1 126 LYS H 1.800 . 3.620 2.494 2.494 2.494 . 0 0 "[ ]" 1 167 1 28 ILE MD 1 126 LYS QB 1.800 . 4.680 1.839 1.839 1.839 . 0 0 "[ ]" 1 168 1 28 ILE MG 1 128 ARG H 1.800 . 4.650 3.376 3.376 3.376 . 0 0 "[ ]" 1 169 1 28 ILE MG 1 128 ARG QB 1.800 . 4.230 3.126 3.126 3.126 . 0 0 "[ ]" 1 170 1 28 ILE MG 1 128 ARG QD 1.800 . 4.280 2.845 2.845 2.845 . 0 0 "[ ]" 1 171 1 28 ILE MD 1 128 ARG QD 1.800 . 4.460 3.325 3.325 3.325 . 0 0 "[ ]" 1 172 1 29 ILE H 1 29 ILE HB 1.800 . 3.220 3.007 3.007 3.007 . 0 0 "[ ]" 1 173 1 29 ILE H 1 29 ILE MG 1.800 . 4.680 3.791 3.791 3.791 . 0 0 "[ ]" 1 174 1 29 ILE H 1 29 ILE QG 1.800 . 3.720 1.861 1.861 1.861 . 0 0 "[ ]" 1 175 1 29 ILE H 1 29 ILE MD 1.800 . 4.380 3.622 3.622 3.622 . 0 0 "[ ]" 1 176 1 29 ILE HA 1 29 ILE MG 1.800 . 3.510 1.917 1.917 1.917 . 0 0 "[ ]" 1 177 1 29 ILE HA 1 29 ILE QG 1.800 . 3.840 2.711 2.711 2.711 . 0 0 "[ ]" 1 178 1 29 ILE HB 1 29 ILE MD 1.800 . 3.550 2.551 2.551 2.551 . 0 0 "[ ]" 1 179 1 29 ILE HA 1 29 ILE MD 1.800 . 4.320 3.760 3.760 3.760 . 0 0 "[ ]" 1 180 1 29 ILE HA 1 30 HIS H 1.800 . 2.870 2.436 2.436 2.436 . 0 0 "[ ]" 1 181 1 29 ILE MG 1 30 HIS H 1.800 . 3.920 2.290 2.290 2.290 . 0 0 "[ ]" 1 182 1 29 ILE MG 1 35 PHE QD 1.800 . 4.740 2.996 2.996 2.996 . 0 0 "[ ]" 1 183 1 29 ILE MD 1 125 GLY QA 1.800 . 4.710 3.274 3.274 3.274 . 0 0 "[ ]" 1 184 1 29 ILE H 1 126 LYS H 1.800 . 4.000 4.006 4.006 4.006 0.006 1 0 "[ ]" 1 185 1 29 ILE H 1 127 ILE HA 1.800 . 3.380 2.341 2.341 2.341 . 0 0 "[ ]" 1 186 1 29 ILE HB 1 127 ILE HA 1.800 . 3.100 3.077 3.077 3.077 . 0 0 "[ ]" 1 187 1 29 ILE HB 1 127 ILE QG 1.800 . 3.540 2.404 2.404 2.404 . 0 0 "[ ]" 1 188 1 30 HIS H 1 30 HIS QB 1.800 . 3.570 2.617 2.617 2.617 . 0 0 "[ ]" 1 189 1 30 HIS H 1 30 HIS HD2 1.800 . 3.960 2.178 2.178 2.178 . 0 0 "[ ]" 1 190 1 30 HIS HA 1 31 ARG H 1.800 . 2.740 2.368 2.368 2.368 . 0 0 "[ ]" 1 191 1 30 HIS QB 1 31 ARG H 1.800 . 4.170 2.504 2.504 2.504 . 0 0 "[ ]" 1 192 1 30 HIS QB 1 33 LYS QB 1.800 . 4.350 3.132 3.132 3.132 . 0 0 "[ ]" 1 193 1 30 HIS HA 1 128 ARG H 1.800 . 3.590 3.056 3.056 3.056 . 0 0 "[ ]" 1 194 1 31 ARG H 1 31 ARG QB 1.800 . 3.480 3.065 3.065 3.065 . 0 0 "[ ]" 1 195 1 31 ARG HA 1 31 ARG QG 1.800 . 3.400 3.126 3.126 3.126 . 0 0 "[ ]" 1 196 1 31 ARG QB 1 31 ARG QD 1.800 . 3.850 2.105 2.105 2.105 . 0 0 "[ ]" 1 197 1 31 ARG H 1 31 ARG QG 1.800 . 3.790 1.752 1.752 1.752 0.048 1 0 "[ ]" 1 198 1 31 ARG QB 1 31 ARG QG 1.800 . 3.870 2.100 2.100 2.100 . 0 0 "[ ]" 1 199 1 31 ARG QD 1 31 ARG QG 1.800 . 3.920 2.054 2.054 2.054 . 0 0 "[ ]" 1 200 1 31 ARG QB 1 32 GLY H 1.800 . 4.160 2.545 2.545 2.545 . 0 0 "[ ]" 1 201 1 31 ARG HA 1 32 GLY H 1.800 . 2.880 2.473 2.473 2.473 . 0 0 "[ ]" 1 202 1 31 ARG HA 1 94 VAL QG 1.800 . 3.810 2.833 2.833 2.833 . 0 0 "[ ]" 1 203 1 31 ARG QB 1 96 LYS HA 1.800 . 3.830 3.315 3.315 3.315 . 0 0 "[ ]" 1 204 1 31 ARG HA 1 97 ILE HB 1.800 . 3.140 3.301 3.301 3.301 0.161 1 0 "[ ]" 1 205 1 31 ARG QD 1 98 ALA H 1.800 . 4.330 2.966 2.966 2.966 . 0 0 "[ ]" 1 206 1 31 ARG QD 1 98 ALA MB 1.800 . 4.770 3.563 3.563 3.563 . 0 0 "[ ]" 1 207 1 31 ARG H 1 127 ILE MG 1.800 . 4.590 3.868 3.868 3.868 . 0 0 "[ ]" 1 208 1 31 ARG QB 1 127 ILE MG 1.800 . 4.660 3.168 3.168 3.168 . 0 0 "[ ]" 1 209 1 31 ARG QD 1 127 ILE MG 1.800 . 4.300 3.235 3.235 3.235 . 0 0 "[ ]" 1 210 1 31 ARG QG 1 127 ILE MG 1.800 . 4.700 2.720 2.720 2.720 . 0 0 "[ ]" 1 211 1 32 GLY QA 1 33 LYS H 1.800 . 3.800 2.934 2.934 2.934 . 0 0 "[ ]" 1 212 1 32 GLY H 1 96 LYS HA 1.800 . 3.630 2.940 2.940 2.940 . 0 0 "[ ]" 1 213 1 32 GLY QA 1 96 LYS HA 1.800 . 3.720 2.837 2.837 2.837 . 0 0 "[ ]" 1 214 1 32 GLY QA 1 96 LYS QG 1.800 . 4.400 3.509 3.509 3.509 . 0 0 "[ ]" 1 215 1 33 LYS H 1 33 LYS QB 1.800 . 3.620 2.583 2.583 2.583 . 0 0 "[ ]" 1 216 1 33 LYS H 1 33 LYS QG 1.800 . 4.470 3.678 3.678 3.678 . 0 0 "[ ]" 1 217 1 33 LYS HA 1 33 LYS QG 1.800 . 3.710 2.036 2.036 2.036 . 0 0 "[ ]" 1 218 1 33 LYS QB 1 33 LYS QG 1.800 . 3.890 2.092 2.092 2.092 . 0 0 "[ ]" 1 219 1 33 LYS QB 1 33 LYS QE 1.800 . 4.100 2.628 2.628 2.628 . 0 0 "[ ]" 1 220 1 33 LYS QE 1 33 LYS QG 1.800 . 3.850 1.971 1.971 1.971 . 0 0 "[ ]" 1 221 1 33 LYS QD 1 33 LYS QG 1.800 . 2.890 2.051 2.051 2.051 . 0 0 "[ ]" 1 222 1 33 LYS QD 1 33 LYS QE 1.800 . 4.280 2.056 2.056 2.056 . 0 0 "[ ]" 1 223 1 33 LYS HA 1 34 PRO QD 1.800 . 2.960 1.888 1.888 1.888 . 0 0 "[ ]" 1 224 1 33 LYS QG 1 34 PRO QD 1.800 . 4.290 2.464 2.464 2.464 . 0 0 "[ ]" 1 225 1 33 LYS QB 1 34 PRO QD 1.800 . 4.330 2.562 2.562 2.562 . 0 0 "[ ]" 1 226 1 33 LYS H 1 94 VAL HB 1.800 . 3.460 3.548 3.548 3.548 0.088 1 0 "[ ]" 1 227 1 34 PRO QD 1 34 PRO QG 1.800 . 3.470 1.974 1.974 1.974 . 0 0 "[ ]" 1 228 1 34 PRO HA 1 35 PHE H 1.800 . 2.980 2.205 2.205 2.205 . 0 0 "[ ]" 1 229 1 34 PRO QB 1 35 PHE H 1.800 . 4.430 3.645 3.645 3.645 . 0 0 "[ ]" 1 230 1 34 PRO QD 1 94 VAL HB 1.800 . 3.830 3.445 3.445 3.445 . 0 0 "[ ]" 1 231 1 35 PHE H 1 35 PHE QB 1.800 . 3.640 2.269 2.269 2.269 . 0 0 "[ ]" 1 232 1 35 PHE HA 1 36 THR H 1.800 . 2.830 2.688 2.688 2.688 . 0 0 "[ ]" 1 233 1 35 PHE QD 1 92 TRP HE3 1.800 . 3.140 2.817 2.817 2.817 . 0 0 "[ ]" 1 234 1 35 PHE H 1 94 VAL QG 1.800 . 5.230 1.808 1.808 1.808 . 0 0 "[ ]" 1 235 1 35 PHE QB 1 94 VAL QG 1.800 . 4.360 2.897 2.897 2.897 . 0 0 "[ ]" 1 236 1 36 THR H 1 36 THR HB 1.800 . 3.250 2.286 2.286 2.286 . 0 0 "[ ]" 1 237 1 36 THR H 1 36 THR MG 1.800 . 4.630 3.699 3.699 3.699 . 0 0 "[ ]" 1 238 1 36 THR HA 1 36 THR MG 1.800 . 3.630 2.489 2.489 2.489 . 0 0 "[ ]" 1 239 1 36 THR HA 1 37 LEU H 1.800 . 2.830 2.377 2.377 2.377 . 0 0 "[ ]" 1 240 1 36 THR MG 1 37 LEU H 1.800 . 4.110 3.429 3.429 3.429 . 0 0 "[ ]" 1 241 1 36 THR HA 1 91 THR HA 1.800 . 2.500 2.571 2.571 2.571 0.071 1 0 "[ ]" 1 242 1 37 LEU H 1 37 LEU QB 1.800 . 3.970 2.286 2.286 2.286 . 0 0 "[ ]" 1 243 1 37 LEU H 1 37 LEU HG 1.800 . 3.780 2.763 2.763 2.763 . 0 0 "[ ]" 1 244 1 37 LEU QB 1 37 LEU QD 1.800 . 4.690 1.842 1.842 1.842 . 0 0 "[ ]" 1 245 1 37 LEU QD 1 37 LEU HG 1.800 . 3.130 1.913 1.913 1.913 . 0 0 "[ ]" 1 246 1 37 LEU HA 1 38 GLU H 1.800 . 2.890 2.437 2.437 2.437 . 0 0 "[ ]" 1 247 1 37 LEU QB 1 38 GLU H 1.800 . 3.950 2.693 2.693 2.693 . 0 0 "[ ]" 1 248 1 37 LEU QD 1 38 GLU H 1.800 . 4.820 2.528 2.528 2.528 . 0 0 "[ ]" 1 249 1 37 LEU QD 1 90 TYR QB 1.800 . 5.320 1.787 1.787 1.787 0.013 1 0 "[ ]" 1 250 1 38 GLU H 1 38 GLU QB 1.800 . 3.660 2.883 2.883 2.883 . 0 0 "[ ]" 1 251 1 38 GLU HA 1 38 GLU QG 1.800 . 3.730 2.347 2.347 2.347 . 0 0 "[ ]" 1 252 1 38 GLU QB 1 38 GLU QG 1.800 . 3.260 2.106 2.106 2.106 . 0 0 "[ ]" 1 253 1 38 GLU HA 1 39 ALA H 1.800 . 2.850 2.655 2.655 2.655 . 0 0 "[ ]" 1 254 1 38 GLU QG 1 39 ALA H 1.800 . 4.250 3.784 3.784 3.784 . 0 0 "[ ]" 1 255 1 38 GLU HA 1 89 LYS HA 1.800 . 2.500 2.536 2.536 2.536 0.036 1 0 "[ ]" 1 256 1 38 GLU QG 1 89 LYS HA 1.800 . 3.880 3.465 3.465 3.465 . 0 0 "[ ]" 1 257 1 38 GLU QB 1 89 LYS QG 1.800 . 3.920 2.623 2.623 2.623 . 0 0 "[ ]" 1 258 1 38 GLU QG 1 89 LYS QG 1.800 . 4.460 1.856 1.856 1.856 . 0 0 "[ ]" 1 259 1 38 GLU HA 1 90 TYR H 1.800 . 3.980 3.555 3.555 3.555 . 0 0 "[ ]" 1 260 1 39 ALA H 1 39 ALA MB 1.800 . 3.690 3.040 3.040 3.040 . 0 0 "[ ]" 1 261 1 39 ALA HA 1 40 LEU H 1.800 . 2.750 2.207 2.207 2.207 . 0 0 "[ ]" 1 262 1 39 ALA MB 1 40 LEU H 1.800 . 4.080 3.451 3.451 3.451 . 0 0 "[ ]" 1 263 1 40 LEU H 1 40 LEU QB 1.800 . 3.420 2.278 2.278 2.278 . 0 0 "[ ]" 1 264 1 40 LEU H 1 40 LEU QD 1.800 . 4.710 2.334 2.334 2.334 . 0 0 "[ ]" 1 265 1 40 LEU HA 1 40 LEU HG 1.800 . 2.940 2.964 2.964 2.964 0.024 1 0 "[ ]" 1 266 1 40 LEU HA 1 40 LEU QD 1.800 . 4.150 1.753 1.753 1.753 0.047 1 0 "[ ]" 1 267 1 40 LEU QB 1 40 LEU QD 1.800 . 4.600 1.969 1.969 1.969 . 0 0 "[ ]" 1 268 1 40 LEU HA 1 41 PHE H 1.800 . 2.680 2.553 2.553 2.553 . 0 0 "[ ]" 1 269 1 40 LEU HG 1 41 PHE H 1.800 . 3.670 3.748 3.748 3.748 0.078 1 0 "[ ]" 1 270 1 40 LEU QD 1 41 PHE H 1.800 . 5.170 3.605 3.605 3.605 . 0 0 "[ ]" 1 271 1 40 LEU QB 1 41 PHE H 1.800 . 3.960 2.201 2.201 2.201 . 0 0 "[ ]" 1 272 1 40 LEU HA 1 87 ASP HA 1.800 . 2.500 2.509 2.509 2.509 0.009 1 0 "[ ]" 1 273 1 40 LEU QD 1 87 ASP HA 1.800 . 4.510 2.207 2.207 2.207 . 0 0 "[ ]" 1 274 1 40 LEU QD 1 87 ASP QB 1.800 . 4.770 1.798 1.798 1.798 0.002 1 0 "[ ]" 1 275 1 40 LEU HA 1 88 ILE H 1.800 . 3.850 3.455 3.455 3.455 . 0 0 "[ ]" 1 276 1 40 LEU HA 1 88 ILE MG 1.800 . 4.340 3.679 3.679 3.679 . 0 0 "[ ]" 1 277 1 40 LEU QD 1 88 ILE H 1.800 . 4.750 3.059 3.059 3.059 . 0 0 "[ ]" 1 278 1 40 LEU QD 1 89 LYS QG 1.800 . 3.870 2.599 2.599 2.599 . 0 0 "[ ]" 1 279 1 40 LEU QD 1 89 LYS QE 1.800 . 4.950 2.746 2.746 2.746 . 0 0 "[ ]" 1 280 1 41 PHE H 1 41 PHE QD 1.800 . 3.850 3.372 3.372 3.372 . 0 0 "[ ]" 1 281 1 41 PHE H 1 41 PHE HA 1.800 . 3.070 2.830 2.830 2.830 . 0 0 "[ ]" 1 282 1 41 PHE HA 1 42 ASP H 1.800 . 2.910 2.244 2.244 2.244 . 0 0 "[ ]" 1 283 1 41 PHE QB 1 42 ASP H 1.800 . 3.700 2.823 2.823 2.823 . 0 0 "[ ]" 1 284 1 41 PHE QD 1 42 ASP H 1.800 . 4.460 4.107 4.107 4.107 . 0 0 "[ ]" 1 285 1 41 PHE QE 1 76 VAL QG 1.800 . 5.270 3.594 3.594 3.594 . 0 0 "[ ]" 1 286 1 41 PHE QE 1 80 LEU QD 1.800 . 5.020 2.038 2.038 2.038 . 0 0 "[ ]" 1 287 1 41 PHE QD 1 80 LEU QD 1.800 . 4.450 3.071 3.071 3.071 . 0 0 "[ ]" 1 288 1 41 PHE H 1 86 TYR H 1.800 . 3.420 3.672 3.672 3.672 0.252 1 0 "[ ]" 1 289 1 41 PHE QE 1 86 TYR QD 1.800 . 3.700 3.033 3.033 3.033 . 0 0 "[ ]" 1 290 1 41 PHE H 1 87 ASP HA 1.800 . 4.020 3.301 3.301 3.301 . 0 0 "[ ]" 1 291 1 41 PHE HZ 1 88 ILE MG 1.800 . 3.910 3.328 3.328 3.328 . 0 0 "[ ]" 1 292 1 41 PHE QD 1 117 LEU QD 1.800 . 4.900 3.279 3.279 3.279 . 0 0 "[ ]" 1 293 1 42 ASP H 1 42 ASP QB 1.800 . 3.490 2.393 2.393 2.393 . 0 0 "[ ]" 1 294 1 42 ASP HA 1 43 ALA H 1.800 . 2.820 2.097 2.097 2.097 . 0 0 "[ ]" 1 295 1 42 ASP QB 1 43 ALA H 1.800 . 4.160 3.785 3.785 3.785 . 0 0 "[ ]" 1 296 1 42 ASP HA 1 43 ALA MB 1.800 . 4.330 3.792 3.792 3.792 . 0 0 "[ ]" 1 297 1 42 ASP HA 1 85 GLN HA 1.800 . 2.500 1.808 1.808 1.808 . 0 0 "[ ]" 1 298 1 42 ASP HA 1 86 TYR H 1.800 . 3.800 2.664 2.664 2.664 . 0 0 "[ ]" 1 299 1 43 ALA H 1 43 ALA MB 1.800 . 3.390 1.955 1.955 1.955 . 0 0 "[ ]" 1 300 1 43 ALA HA 1 44 ASN H 1.800 . 3.020 2.207 2.207 2.207 . 0 0 "[ ]" 1 301 1 43 ALA MB 1 44 ASN H 1.800 . 4.510 3.346 3.346 3.346 . 0 0 "[ ]" 1 302 1 43 ALA MB 1 80 LEU QB 1.800 . 4.420 1.784 1.784 1.784 0.016 1 0 "[ ]" 1 303 1 43 ALA MB 1 80 LEU QD 1.800 . 4.980 2.384 2.384 2.384 . 0 0 "[ ]" 1 304 1 43 ALA MB 1 82 LYS HA 1.800 . 3.570 3.154 3.154 3.154 . 0 0 "[ ]" 1 305 1 43 ALA MB 1 83 GLY H 1.800 . 3.930 2.842 2.842 2.842 . 0 0 "[ ]" 1 306 1 43 ALA H 1 84 GLN H 1.800 . 3.970 4.186 4.186 4.186 0.216 1 0 "[ ]" 1 307 1 43 ALA MB 1 84 GLN H 1.800 . 3.810 2.484 2.484 2.484 . 0 0 "[ ]" 1 308 1 43 ALA H 1 85 GLN HA 1.800 . 3.660 2.501 2.501 2.501 . 0 0 "[ ]" 1 309 1 43 ALA H 1 86 TYR QD 1.800 . 3.940 3.691 3.691 3.691 . 0 0 "[ ]" 1 310 1 43 ALA MB 1 86 TYR QD 1.800 . 4.150 3.255 3.255 3.255 . 0 0 "[ ]" 1 311 1 43 ALA MB 1 117 LEU QD 1.800 . 5.010 2.855 2.855 2.855 . 0 0 "[ ]" 1 312 1 44 ASN H 1 45 GLN H 1.800 . 3.460 1.973 1.973 1.973 . 0 0 "[ ]" 1 313 1 44 ASN HA 1 45 GLN H 1.800 . 3.540 3.274 3.274 3.274 . 0 0 "[ ]" 1 314 1 44 ASN H 1 117 LEU QD 1.800 . 4.910 2.906 2.906 2.906 . 0 0 "[ ]" 1 315 1 44 ASN QD 1 117 LEU HA 1.800 . 4.010 3.389 3.389 3.389 . 0 0 "[ ]" 1 316 1 45 GLN H 1 45 GLN QG 1.800 . 3.440 1.862 1.862 1.862 . 0 0 "[ ]" 1 317 1 45 GLN QB 1 45 GLN QG 1.800 . 4.030 2.110 2.110 2.110 . 0 0 "[ ]" 1 318 1 45 GLN HA 1 45 GLN QG 1.800 . 3.670 3.300 3.300 3.300 . 0 0 "[ ]" 1 319 1 45 GLN QB 1 45 GLN QE 1.800 . 4.920 1.775 1.775 1.775 0.025 1 0 "[ ]" 1 320 1 45 GLN HA 1 46 ASN H 1.800 . 2.880 3.061 3.061 3.061 0.181 1 0 "[ ]" 1 321 1 45 GLN QB 1 46 ASN H 1.800 . 3.580 1.856 1.856 1.856 . 0 0 "[ ]" 1 322 1 45 GLN QG 1 81 VAL QG 1.800 . 4.990 3.359 3.359 3.359 . 0 0 "[ ]" 1 323 1 45 GLN QG 1 81 VAL HB 1.800 . 4.100 3.648 3.648 3.648 . 0 0 "[ ]" 1 324 1 45 GLN H 1 82 LYS HA 1.800 . 3.410 3.446 3.446 3.446 0.036 1 0 "[ ]" 1 325 1 45 GLN H 1 82 LYS QB 1.800 . 4.250 3.667 3.667 3.667 . 0 0 "[ ]" 1 326 1 45 GLN HA 1 82 LYS QD 1.800 . 3.840 3.478 3.478 3.478 . 0 0 "[ ]" 1 327 1 45 GLN QE 1 114 ASN H 1.800 . 4.410 2.810 2.810 2.810 . 0 0 "[ ]" 1 328 1 45 GLN QE 1 115 GLY H 1.800 . 4.140 2.803 2.803 2.803 . 0 0 "[ ]" 1 329 1 45 GLN H 1 117 LEU QD 1.800 . 4.460 2.869 2.869 2.869 . 0 0 "[ ]" 1 330 1 45 GLN QG 1 117 LEU QD 1.800 . 4.130 2.190 2.190 2.190 . 0 0 "[ ]" 1 331 1 45 GLN QE 1 117 LEU QD 1.800 . 4.970 2.232 2.232 2.232 . 0 0 "[ ]" 1 332 1 46 ASN H 1 46 ASN QB 1.800 . 3.500 3.214 3.214 3.214 . 0 0 "[ ]" 1 333 1 46 ASN HA 1 47 THR H 1.800 . 2.750 2.634 2.634 2.634 . 0 0 "[ ]" 1 334 1 46 ASN QB 1 47 THR H 1.800 . 4.240 3.933 3.933 3.933 . 0 0 "[ ]" 1 335 1 46 ASN HA 1 81 VAL HA 1.800 . 2.500 1.966 1.966 1.966 . 0 0 "[ ]" 1 336 1 46 ASN QB 1 81 VAL QG 1.800 . 4.830 3.267 3.267 3.267 . 0 0 "[ ]" 1 337 1 46 ASN HA 1 82 LYS H 1.800 . 3.390 2.404 2.404 2.404 . 0 0 "[ ]" 1 338 1 46 ASN HA 1 82 LYS QG 1.800 . 4.020 3.692 3.692 3.692 . 0 0 "[ ]" 1 339 1 47 THR H 1 47 THR HB 1.800 . 3.610 3.312 3.312 3.312 . 0 0 "[ ]" 1 340 1 47 THR H 1 47 THR MG 1.800 . 3.530 2.021 2.021 2.021 . 0 0 "[ ]" 1 341 1 47 THR HA 1 47 THR HB 1.800 . 2.890 2.459 2.459 2.459 . 0 0 "[ ]" 1 342 1 47 THR HA 1 47 THR MG 1.800 . 4.020 3.148 3.148 3.148 . 0 0 "[ ]" 1 343 1 47 THR HA 1 48 LYS H 1.800 . 2.730 2.221 2.221 2.221 . 0 0 "[ ]" 1 344 1 47 THR H 1 80 LEU H 1.800 . 3.540 3.843 3.843 3.843 0.303 1 0 "[ ]" 1 345 1 47 THR H 1 80 LEU QB 1.800 . 4.000 3.664 3.664 3.664 . 0 0 "[ ]" 1 346 1 47 THR MG 1 80 LEU H 1.800 . 3.940 2.812 2.812 2.812 . 0 0 "[ ]" 1 347 1 47 THR HA 1 81 VAL QG 1.800 . 4.450 3.374 3.374 3.374 . 0 0 "[ ]" 1 348 1 47 THR MG 1 81 VAL QG 1.800 . 4.130 2.631 2.631 2.631 . 0 0 "[ ]" 1 349 1 47 THR MG 1 112 GLY QA 1.800 . 4.150 1.877 1.877 1.877 . 0 0 "[ ]" 1 350 1 47 THR HB 1 113 ASP H 1.800 . 3.350 2.734 2.734 2.734 . 0 0 "[ ]" 1 351 1 47 THR MG 1 113 ASP H 1.800 . 4.130 2.069 2.069 2.069 . 0 0 "[ ]" 1 352 1 47 THR HB 1 114 ASN H 1.800 . 3.940 3.969 3.969 3.969 0.029 1 0 "[ ]" 1 353 1 47 THR HA 1 114 ASN QD 1.800 . 4.030 3.491 3.491 3.491 . 0 0 "[ ]" 1 354 1 47 THR MG 1 114 ASN QD 1.800 . 3.820 2.247 2.247 2.247 . 0 0 "[ ]" 1 355 1 48 LYS H 1 48 LYS QB 1.800 . 3.620 2.854 2.854 2.854 . 0 0 "[ ]" 1 356 1 48 LYS H 1 48 LYS QG 1.800 . 4.030 1.776 1.776 1.776 0.024 1 0 "[ ]" 1 357 1 48 LYS HA 1 48 LYS QG 1.800 . 3.670 3.257 3.257 3.257 . 0 0 "[ ]" 1 358 1 48 LYS QB 1 48 LYS QG 1.800 . 3.810 2.106 2.106 2.106 . 0 0 "[ ]" 1 359 1 48 LYS QD 1 48 LYS QG 1.800 . 2.490 2.022 2.022 2.022 . 0 0 "[ ]" 1 360 1 48 LYS QB 1 48 LYS QE 1.800 . 4.360 1.883 1.883 1.883 . 0 0 "[ ]" 1 361 1 48 LYS QE 1 48 LYS QG 1.800 . 3.710 2.306 2.306 2.306 . 0 0 "[ ]" 1 362 1 48 LYS QD 1 48 LYS QE 1.800 . 3.450 2.064 2.064 2.064 . 0 0 "[ ]" 1 363 1 48 LYS H 1 49 THR H 1.800 . 3.110 2.567 2.567 2.567 . 0 0 "[ ]" 1 364 1 48 LYS HA 1 49 THR H 1.800 . 3.730 3.430 3.430 3.430 . 0 0 "[ ]" 1 365 1 48 LYS QB 1 49 THR H 1.800 . 3.900 3.547 3.547 3.547 . 0 0 "[ ]" 1 366 1 48 LYS HA 1 79 PRO QB 1.800 . 3.150 1.797 1.797 1.797 0.003 1 0 "[ ]" 1 367 1 48 LYS QB 1 79 PRO HA 1.800 . 3.460 3.306 3.306 3.306 . 0 0 "[ ]" 1 368 1 48 LYS HA 1 79 PRO QG 1.800 . 3.980 3.785 3.785 3.785 . 0 0 "[ ]" 1 369 1 48 LYS HA 1 80 LEU H 1.800 . 3.530 3.292 3.292 3.292 . 0 0 "[ ]" 1 370 1 49 THR H 1 49 THR MG 1.800 . 3.970 2.248 2.248 2.248 . 0 0 "[ ]" 1 371 1 49 THR HA 1 49 THR HB 1.800 . 2.900 2.467 2.467 2.467 . 0 0 "[ ]" 1 372 1 49 THR HA 1 49 THR MG 1.800 . 3.440 2.414 2.414 2.414 . 0 0 "[ ]" 1 373 1 49 THR HA 1 50 ALA H 1.800 . 2.820 2.815 2.815 2.815 . 0 0 "[ ]" 1 374 1 49 THR HB 1 50 ALA H 1.800 . 3.070 1.919 1.919 1.919 . 0 0 "[ ]" 1 375 1 49 THR MG 1 50 ALA H 1.800 . 4.580 3.601 3.601 3.601 . 0 0 "[ ]" 1 376 1 50 ALA H 1 50 ALA MB 1.800 . 3.920 2.951 2.951 2.951 . 0 0 "[ ]" 1 377 1 50 ALA HA 1 51 LYS H 1.800 . 2.700 2.362 2.362 2.362 . 0 0 "[ ]" 1 378 1 50 ALA MB 1 72 ALA H 1.800 . 4.570 3.843 3.843 3.843 . 0 0 "[ ]" 1 379 1 50 ALA HA 1 72 ALA MB 1.800 . 4.130 3.441 3.441 3.441 . 0 0 "[ ]" 1 380 1 50 ALA MB 1 73 CYS H 1.800 . 4.560 3.874 3.874 3.874 . 0 0 "[ ]" 1 381 1 50 ALA HA 1 117 LEU QD 1.800 . 4.390 3.307 3.307 3.307 . 0 0 "[ ]" 1 382 1 51 LYS HA 1 51 LYS QG 1.800 . 4.040 2.334 2.334 2.334 . 0 0 "[ ]" 1 383 1 51 LYS H 1 51 LYS QB 1.800 . 3.560 2.650 2.650 2.650 . 0 0 "[ ]" 1 384 1 51 LYS QB 1 51 LYS QG 1.800 . 2.890 2.087 2.087 2.087 . 0 0 "[ ]" 1 385 1 51 LYS QE 1 51 LYS QG 1.800 . 3.780 2.104 2.104 2.104 . 0 0 "[ ]" 1 386 1 51 LYS QD 1 51 LYS QE 1.800 . 3.360 2.106 2.106 2.106 . 0 0 "[ ]" 1 387 1 51 LYS HA 1 52 ILE H 1.800 . 2.780 2.793 2.793 2.793 0.013 1 0 "[ ]" 1 388 1 51 LYS QB 1 52 ILE H 1.800 . 4.010 1.939 1.939 1.939 . 0 0 "[ ]" 1 389 1 51 LYS QG 1 52 ILE H 1.800 . 4.300 3.937 3.937 3.937 . 0 0 "[ ]" 1 390 1 51 LYS HA 1 52 ILE MG 1.800 . 4.250 3.534 3.534 3.534 . 0 0 "[ ]" 1 391 1 51 LYS HA 1 71 ASN HA 1.800 . 2.500 2.536 2.536 2.536 0.036 1 0 "[ ]" 1 392 1 51 LYS HA 1 72 ALA H 1.800 . 3.120 3.182 3.182 3.182 0.062 1 0 "[ ]" 1 393 1 51 LYS HA 1 72 ALA MB 1.800 . 4.050 2.891 2.891 2.891 . 0 0 "[ ]" 1 394 1 51 LYS H 1 111 ILE H 1.800 . 3.390 2.964 2.964 2.964 . 0 0 "[ ]" 1 395 1 51 LYS QB 1 111 ILE H 1.800 . 4.150 2.542 2.542 2.542 . 0 0 "[ ]" 1 396 1 51 LYS H 1 111 ILE HB 1.800 . 3.610 3.819 3.819 3.819 0.209 1 0 "[ ]" 1 397 1 51 LYS QE 1 111 ILE HB 1.800 . 3.940 1.998 1.998 1.998 . 0 0 "[ ]" 1 398 1 51 LYS QG 1 112 GLY QA 1.800 . 4.340 3.481 3.481 3.481 . 0 0 "[ ]" 1 399 1 52 ILE H 1 52 ILE HB 1.800 . 3.460 3.466 3.466 3.466 0.006 1 0 "[ ]" 1 400 1 52 ILE H 1 52 ILE MG 1.800 . 3.540 2.663 2.663 2.663 . 0 0 "[ ]" 1 401 1 52 ILE HA 1 52 ILE HB 1.800 . 2.990 2.506 2.506 2.506 . 0 0 "[ ]" 1 402 1 52 ILE HA 1 52 ILE MG 1.800 . 4.190 3.193 3.193 3.193 . 0 0 "[ ]" 1 403 1 52 ILE HB 1 52 ILE MD 1.800 . 4.020 2.248 2.248 2.248 . 0 0 "[ ]" 1 404 1 52 ILE HA 1 52 ILE QG 1.800 . 3.720 2.233 2.233 2.233 . 0 0 "[ ]" 1 405 1 52 ILE HA 1 53 GLU H 1.800 . 2.880 2.282 2.282 2.282 . 0 0 "[ ]" 1 406 1 52 ILE MG 1 53 GLU H 1.800 . 4.210 3.505 3.505 3.505 . 0 0 "[ ]" 1 407 1 52 ILE QG 1 53 GLU H 1.800 . 3.860 2.116 2.116 2.116 . 0 0 "[ ]" 1 408 1 52 ILE MD 1 72 ALA MB 1.800 . 4.540 3.102 3.102 3.102 . 0 0 "[ ]" 1 409 1 52 ILE HA 1 110 LEU HA 1.800 . 2.500 2.510 2.510 2.510 0.010 1 0 "[ ]" 1 410 1 52 ILE HA 1 110 LEU QD 1.800 . 4.410 2.446 2.446 2.446 . 0 0 "[ ]" 1 411 1 52 ILE HB 1 110 LEU QD 1.800 . 4.340 2.818 2.818 2.818 . 0 0 "[ ]" 1 412 1 52 ILE HA 1 111 ILE H 1.800 . 4.020 3.299 3.299 3.299 . 0 0 "[ ]" 1 413 1 53 GLU QB 1 53 GLU QG 1.800 . 3.160 2.075 2.075 2.075 . 0 0 "[ ]" 1 414 1 53 GLU HA 1 54 ILE H 1.800 . 3.680 2.730 2.730 2.730 . 0 0 "[ ]" 1 415 1 53 GLU QB 1 109 LYS QB 1.800 . 3.760 2.141 2.141 2.141 . 0 0 "[ ]" 1 416 1 54 ILE HA 1 54 ILE MG 1.800 . 3.510 2.414 2.414 2.414 . 0 0 "[ ]" 1 417 1 54 ILE HA 1 54 ILE QG 1.800 . 3.530 2.773 2.773 2.773 . 0 0 "[ ]" 1 418 1 54 ILE HA 1 54 ILE MD 1.800 . 4.210 1.839 1.839 1.839 . 0 0 "[ ]" 1 419 1 54 ILE HA 1 55 LYS H 1.800 . 2.730 2.316 2.316 2.316 . 0 0 "[ ]" 1 420 1 54 ILE HB 1 55 LYS H 1.800 . 3.830 3.944 3.944 3.944 0.114 1 0 "[ ]" 1 421 1 54 ILE MG 1 55 LYS H 1.800 . 3.840 1.796 1.796 1.796 0.004 1 0 "[ ]" 1 422 1 54 ILE QG 1 55 LYS H 1.800 . 4.350 3.919 3.919 3.919 . 0 0 "[ ]" 1 423 1 54 ILE HB 1 65 VAL HB 1.800 . 3.270 2.718 2.718 2.718 . 0 0 "[ ]" 1 424 1 54 ILE HB 1 65 VAL QG 1.800 . 4.160 1.707 1.707 1.707 0.093 1 0 "[ ]" 1 425 1 54 ILE MG 1 65 VAL HB 1.800 . 4.170 3.531 3.531 3.531 . 0 0 "[ ]" 1 426 1 54 ILE QG 1 65 VAL QG 1.800 . 4.350 2.960 2.960 2.960 . 0 0 "[ ]" 1 427 1 54 ILE MG 1 90 TYR QE 1.800 . 4.550 2.492 2.492 2.492 . 0 0 "[ ]" 1 428 1 54 ILE HA 1 108 VAL HA 1.800 . 2.500 1.787 1.787 1.787 0.013 1 0 "[ ]" 1 429 1 54 ILE QG 1 108 VAL QG 1.800 . 4.960 1.675 1.675 1.675 0.125 1 0 "[ ]" 1 430 1 54 ILE HA 1 109 LYS H 1.800 . 3.820 3.433 3.433 3.433 . 0 0 "[ ]" 1 431 1 55 LYS H 1 55 LYS QB 1.800 . 3.850 2.810 2.810 2.810 . 0 0 "[ ]" 1 432 1 55 LYS QB 1 55 LYS QG 1.800 . 3.390 2.067 2.067 2.067 . 0 0 "[ ]" 1 433 1 55 LYS QB 1 55 LYS QE 1.800 . 4.060 1.844 1.844 1.844 . 0 0 "[ ]" 1 434 1 55 LYS QD 1 55 LYS QE 1.800 . 4.070 2.093 2.093 2.093 . 0 0 "[ ]" 1 435 1 55 LYS HA 1 56 ALA H 1.800 . 2.810 2.239 2.239 2.239 . 0 0 "[ ]" 1 436 1 55 LYS QB 1 56 ALA H 1.800 . 3.910 3.693 3.693 3.693 . 0 0 "[ ]" 1 437 1 55 LYS HA 1 64 ASP HA 1.800 . 2.500 2.534 2.534 2.534 0.034 1 0 "[ ]" 1 438 1 55 LYS QG 1 64 ASP HA 1.800 . 3.700 3.321 3.321 3.321 . 0 0 "[ ]" 1 439 1 55 LYS HA 1 65 VAL H 1.800 . 3.590 3.051 3.051 3.051 . 0 0 "[ ]" 1 440 1 55 LYS HA 1 65 VAL QG 1.800 . 4.490 3.173 3.173 3.173 . 0 0 "[ ]" 1 441 1 55 LYS QG 1 65 VAL HB 1.800 . 3.360 3.207 3.207 3.207 . 0 0 "[ ]" 1 442 1 55 LYS H 1 107 THR H 1.800 . 3.540 3.202 3.202 3.202 . 0 0 "[ ]" 1 443 1 55 LYS H 1 107 THR HB 1.800 . 3.580 3.501 3.501 3.501 . 0 0 "[ ]" 1 444 1 55 LYS QB 1 107 THR HB 1.800 . 3.470 2.094 2.094 2.094 . 0 0 "[ ]" 1 445 1 55 LYS QE 1 108 VAL HA 1.800 . 3.810 3.518 3.518 3.518 . 0 0 "[ ]" 1 446 1 56 ALA H 1 56 ALA MB 1.800 . 3.810 2.334 2.334 2.334 . 0 0 "[ ]" 1 447 1 56 ALA HA 1 57 SER H 1.800 . 2.770 2.235 2.235 2.235 . 0 0 "[ ]" 1 448 1 56 ALA MB 1 57 SER H 1.800 . 3.990 3.224 3.224 3.224 . 0 0 "[ ]" 1 449 1 56 ALA H 1 63 ILE MD 1.800 . 4.610 3.912 3.912 3.912 . 0 0 "[ ]" 1 450 1 56 ALA H 1 65 VAL QG 1.800 . 4.960 3.738 3.738 3.738 . 0 0 "[ ]" 1 451 1 56 ALA HA 1 106 VAL HA 1.800 . 2.500 2.546 2.546 2.546 0.046 1 0 "[ ]" 1 452 1 56 ALA HA 1 106 VAL QG 1.800 . 4.430 3.111 3.111 3.111 . 0 0 "[ ]" 1 453 1 57 SER H 1 57 SER QB 1.800 . 3.770 2.469 2.469 2.469 . 0 0 "[ ]" 1 454 1 57 SER HA 1 58 LEU H 1.800 . 2.720 2.193 2.193 2.193 . 0 0 "[ ]" 1 455 1 57 SER HA 1 62 GLU HA 1.800 . 2.500 2.258 2.258 2.258 . 0 0 "[ ]" 1 456 1 57 SER QB 1 62 GLU HA 1.800 . 3.970 3.546 3.546 3.546 . 0 0 "[ ]" 1 457 1 57 SER HA 1 63 ILE H 1.800 . 3.660 2.989 2.989 2.989 . 0 0 "[ ]" 1 458 1 57 SER H 1 104 VAL QG 1.800 . 4.700 3.527 3.527 3.527 . 0 0 "[ ]" 1 459 1 57 SER H 1 105 VAL H 1.800 . 3.420 2.894 2.894 2.894 . 0 0 "[ ]" 1 460 1 57 SER QB 1 105 VAL H 1.800 . 4.160 3.493 3.493 3.493 . 0 0 "[ ]" 1 461 1 57 SER H 1 105 VAL QG 1.800 . 5.130 3.531 3.531 3.531 . 0 0 "[ ]" 1 462 1 57 SER QB 1 105 VAL HB 1.800 . 3.380 2.970 2.970 2.970 . 0 0 "[ ]" 1 463 1 57 SER H 1 106 VAL HA 1.800 . 3.720 3.755 3.755 3.755 0.035 1 0 "[ ]" 1 464 1 58 LEU H 1 58 LEU QB 1.800 . 3.650 2.536 2.536 2.536 . 0 0 "[ ]" 1 465 1 58 LEU H 1 58 LEU QD 1.800 . 4.820 3.595 3.595 3.595 . 0 0 "[ ]" 1 466 1 58 LEU HA 1 58 LEU QD 1.800 . 4.590 1.749 1.749 1.749 0.051 1 0 "[ ]" 1 467 1 58 LEU HA 1 59 ASP H 1.800 . 2.930 2.334 2.334 2.334 . 0 0 "[ ]" 1 468 1 58 LEU HG 1 59 ASP H 1.800 . 3.930 3.971 3.971 3.971 0.041 1 0 "[ ]" 1 469 1 58 LEU QD 1 59 ASP H 1.800 . 4.700 1.623 1.623 1.623 0.177 1 0 "[ ]" 1 470 1 58 LEU H 1 61 LEU H 1.800 . 3.460 3.617 3.617 3.617 0.157 1 0 "[ ]" 1 471 1 58 LEU H 1 61 LEU QB 1.800 . 4.270 3.829 3.829 3.829 . 0 0 "[ ]" 1 472 1 58 LEU QB 1 61 LEU QB 1.800 . 3.890 1.861 1.861 1.861 . 0 0 "[ ]" 1 473 1 58 LEU QD 1 61 LEU QB 1.800 . 3.970 2.410 2.410 2.410 . 0 0 "[ ]" 1 474 1 58 LEU H 1 62 GLU HA 1.800 . 3.640 1.787 1.787 1.787 0.013 1 0 "[ ]" 1 475 1 58 LEU QB 1 63 ILE QG 1.800 . 3.820 3.296 3.296 3.296 . 0 0 "[ ]" 1 476 1 58 LEU QD 1 101 SER QB 1.800 . 5.140 3.073 3.073 3.073 . 0 0 "[ ]" 1 477 1 59 ASP H 1 59 ASP HA 1.800 . 3.010 2.784 2.784 2.784 . 0 0 "[ ]" 1 478 1 59 ASP H 1 60 GLY H 1.800 . 3.840 3.149 3.149 3.149 . 0 0 "[ ]" 1 479 1 60 GLY H 1 61 LEU H 1.800 . 3.540 2.674 2.674 2.674 . 0 0 "[ ]" 1 480 1 60 GLY QA 1 61 LEU H 1.800 . 4.100 2.916 2.916 2.916 . 0 0 "[ ]" 1 481 1 61 LEU H 1 61 LEU QB 1.800 . 3.500 2.728 2.728 2.728 . 0 0 "[ ]" 1 482 1 61 LEU QB 1 61 LEU QD 1.800 . 5.210 2.033 2.033 2.033 . 0 0 "[ ]" 1 483 1 61 LEU HA 1 62 GLU H 1.800 . 2.630 2.398 2.398 2.398 . 0 0 "[ ]" 1 484 1 61 LEU QB 1 62 GLU H 1.800 . 4.340 3.925 3.925 3.925 . 0 0 "[ ]" 1 485 1 61 LEU QD 1 62 GLU H 1.800 . 4.880 3.167 3.167 3.167 . 0 0 "[ ]" 1 486 1 62 GLU H 1 62 GLU QB 1.800 . 3.210 2.226 2.226 2.226 . 0 0 "[ ]" 1 487 1 62 GLU H 1 62 GLU QG 1.800 . 4.150 2.770 2.770 2.770 . 0 0 "[ ]" 1 488 1 62 GLU QB 1 62 GLU QG 1.800 . 3.030 2.090 2.090 2.090 . 0 0 "[ ]" 1 489 1 62 GLU HA 1 63 ILE H 1.800 . 2.730 2.550 2.550 2.550 . 0 0 "[ ]" 1 490 1 63 ILE H 1 63 ILE HB 1.800 . 3.440 2.855 2.855 2.855 . 0 0 "[ ]" 1 491 1 63 ILE H 1 63 ILE QG 1.800 . 4.020 1.979 1.979 1.979 . 0 0 "[ ]" 1 492 1 63 ILE HA 1 64 ASP H 1.800 . 2.700 2.458 2.458 2.458 . 0 0 "[ ]" 1 493 1 63 ILE MG 1 64 ASP H 1.800 . 4.180 1.802 1.802 1.802 . 0 0 "[ ]" 1 494 1 63 ILE HB 1 64 ASP H 1.800 . 3.360 3.447 3.447 3.447 0.087 1 0 "[ ]" 1 495 1 63 ILE MG 1 90 TYR QD 1.800 . 4.650 2.485 2.485 2.485 . 0 0 "[ ]" 1 496 1 63 ILE MD 1 90 TYR HA 1.800 . 4.130 3.786 3.786 3.786 . 0 0 "[ ]" 1 497 1 63 ILE MD 1 90 TYR QD 1.800 . 4.600 2.594 2.594 2.594 . 0 0 "[ ]" 1 498 1 64 ASP H 1 64 ASP QB 1.800 . 3.300 2.915 2.915 2.915 . 0 0 "[ ]" 1 499 1 64 ASP HA 1 65 VAL H 1.800 . 2.790 2.272 2.272 2.272 . 0 0 "[ ]" 1 500 1 64 ASP QB 1 65 VAL H 1.800 . 4.120 3.088 3.088 3.088 . 0 0 "[ ]" 1 501 1 64 ASP HA 1 65 VAL QG 1.800 . 4.650 3.352 3.352 3.352 . 0 0 "[ ]" 1 502 1 65 VAL H 1 65 VAL HB 1.800 . 3.070 2.840 2.840 2.840 . 0 0 "[ ]" 1 503 1 65 VAL H 1 65 VAL QG 1.800 . 3.860 2.845 2.845 2.845 . 0 0 "[ ]" 1 504 1 65 VAL HA 1 65 VAL QG 1.800 . 3.850 1.994 1.994 1.994 . 0 0 "[ ]" 1 505 1 65 VAL HB 1 65 VAL QG 1.800 . 3.510 1.900 1.900 1.900 . 0 0 "[ ]" 1 506 1 65 VAL HA 1 66 PRO QD 1.800 . 3.130 2.070 2.070 2.070 . 0 0 "[ ]" 1 507 1 65 VAL QG 1 66 PRO QD 1.800 . 4.690 3.150 3.150 3.150 . 0 0 "[ ]" 1 508 1 65 VAL QG 1 68 ILE HB 1.800 . 4.550 3.347 3.347 3.347 . 0 0 "[ ]" 1 509 1 65 VAL QG 1 68 ILE QG 1.800 . 4.440 2.975 2.975 2.975 . 0 0 "[ ]" 1 510 1 66 PRO QD 1 66 PRO QG 1.800 . 3.750 1.970 1.970 1.970 . 0 0 "[ ]" 1 511 1 66 PRO HA 1 67 GLY H 1.800 . 3.230 3.291 3.291 3.291 0.061 1 0 "[ ]" 1 512 1 66 PRO QB 1 67 GLY H 1.800 . 4.070 3.688 3.688 3.688 . 0 0 "[ ]" 1 513 1 67 GLY H 1 68 ILE H 1.800 . 3.810 1.837 1.837 1.837 . 0 0 "[ ]" 1 514 1 68 ILE H 1 68 ILE MG 1.800 . 4.420 3.747 3.747 3.747 . 0 0 "[ ]" 1 515 1 68 ILE H 1 68 ILE QG 1.800 . 3.950 2.165 2.165 2.165 . 0 0 "[ ]" 1 516 1 69 ASP HA 1 70 THR H 1.800 . 3.010 2.804 2.804 2.804 . 0 0 "[ ]" 1 517 1 69 ASP QB 1 73 CYS QB 1.800 . 4.340 3.484 3.484 3.484 . 0 0 "[ ]" 1 518 1 69 ASP QB 1 75 PHE QE 1.800 . 4.400 2.371 2.371 2.371 . 0 0 "[ ]" 1 519 1 70 THR H 1 70 THR HA 1.800 . 3.040 2.992 2.992 2.992 . 0 0 "[ ]" 1 520 1 70 THR H 1 70 THR MG 1.800 . 4.000 2.999 2.999 2.999 . 0 0 "[ ]" 1 521 1 70 THR H 1 71 ASN H 1.800 . 3.330 1.871 1.871 1.871 . 0 0 "[ ]" 1 522 1 71 ASN H 1 71 ASN QB 1.800 . 3.460 3.003 3.003 3.003 . 0 0 "[ ]" 1 523 1 71 ASN HA 1 72 ALA H 1.800 . 2.730 2.495 2.495 2.495 . 0 0 "[ ]" 1 524 1 71 ASN HA 1 72 ALA MB 1.800 . 4.000 3.536 3.536 3.536 . 0 0 "[ ]" 1 525 1 72 ALA H 1 72 ALA MB 1.800 . 3.370 2.663 2.663 2.663 . 0 0 "[ ]" 1 526 1 72 ALA H 1 73 CYS H 1.800 . 3.300 2.892 2.892 2.892 . 0 0 "[ ]" 1 527 1 72 ALA HA 1 73 CYS H 1.800 . 3.790 2.957 2.957 2.957 . 0 0 "[ ]" 1 528 1 72 ALA MB 1 73 CYS H 1.800 . 4.110 3.543 3.543 3.543 . 0 0 "[ ]" 1 529 1 72 ALA HA 1 75 PHE H 1.800 . 3.910 3.554 3.554 3.554 . 0 0 "[ ]" 1 530 1 72 ALA HA 1 75 PHE QD 1.800 . 3.660 3.351 3.351 3.351 . 0 0 "[ ]" 1 531 1 72 ALA MB 1 110 LEU QD 1.800 . 4.510 1.861 1.861 1.861 . 0 0 "[ ]" 1 532 1 73 CYS H 1 73 CYS QB 1.800 . 3.360 2.335 2.335 2.335 . 0 0 "[ ]" 1 533 1 73 CYS H 1 74 HIS H 1.800 . 3.470 2.328 2.328 2.328 . 0 0 "[ ]" 1 534 1 73 CYS HA 1 74 HIS H 1.800 . 3.970 3.575 3.575 3.575 . 0 0 "[ ]" 1 535 1 73 CYS HA 1 76 VAL H 1.800 . 3.450 3.099 3.099 3.099 . 0 0 "[ ]" 1 536 1 73 CYS HA 1 76 VAL QG 1.800 . 4.300 3.299 3.299 3.299 . 0 0 "[ ]" 1 537 1 73 CYS QB 1 78 CYS QB 1.800 . 3.940 1.710 1.710 1.710 0.090 1 0 "[ ]" 1 538 1 74 HIS H 1 74 HIS QB 1.800 . 3.570 2.166 2.166 2.166 . 0 0 "[ ]" 1 539 1 74 HIS HA 1 74 HIS HD2 1.800 . 3.110 2.141 2.141 2.141 . 0 0 "[ ]" 1 540 1 74 HIS H 1 75 PHE H 1.800 . 3.190 2.675 2.675 2.675 . 0 0 "[ ]" 1 541 1 74 HIS HA 1 75 PHE H 1.800 . 3.930 3.413 3.413 3.413 . 0 0 "[ ]" 1 542 1 74 HIS QB 1 75 PHE QE 1.800 . 4.380 3.496 3.496 3.496 . 0 0 "[ ]" 1 543 1 75 PHE H 1 75 PHE QB 1.800 . 3.530 2.368 2.368 2.368 . 0 0 "[ ]" 1 544 1 75 PHE H 1 75 PHE QD 1.800 . 3.820 2.786 2.786 2.786 . 0 0 "[ ]" 1 545 1 75 PHE HA 1 75 PHE QD 1.800 . 3.760 2.879 2.879 2.879 . 0 0 "[ ]" 1 546 1 75 PHE H 1 76 VAL H 1.800 . 2.860 2.057 2.057 2.057 . 0 0 "[ ]" 1 547 1 75 PHE QB 1 76 VAL H 1.800 . 3.960 2.925 2.925 2.925 . 0 0 "[ ]" 1 548 1 75 PHE QB 1 76 VAL QG 1.800 . 4.990 2.040 2.040 2.040 . 0 0 "[ ]" 1 549 1 75 PHE QB 1 88 ILE QG 1.800 . 4.250 3.407 3.407 3.407 . 0 0 "[ ]" 1 550 1 75 PHE QB 1 88 ILE MD 1.800 . 4.280 2.104 2.104 2.104 . 0 0 "[ ]" 1 551 1 75 PHE QE 1 90 TYR QE 1.800 . 4.100 3.283 3.283 3.283 . 0 0 "[ ]" 1 552 1 76 VAL H 1 76 VAL QG 1.800 . 4.190 2.019 2.019 2.019 . 0 0 "[ ]" 1 553 1 76 VAL HA 1 76 VAL HB 1.800 . 3.070 2.232 2.232 2.232 . 0 0 "[ ]" 1 554 1 76 VAL HB 1 76 VAL QG 1.800 . 3.580 1.913 1.913 1.913 . 0 0 "[ ]" 1 555 1 76 VAL HA 1 76 VAL QG 1.800 . 3.700 2.638 2.638 2.638 . 0 0 "[ ]" 1 556 1 76 VAL HA 1 77 LYS H 1.800 . 2.800 2.566 2.566 2.566 . 0 0 "[ ]" 1 557 1 76 VAL HB 1 77 LYS H 1.800 . 3.090 3.043 3.043 3.043 . 0 0 "[ ]" 1 558 1 76 VAL QG 1 77 LYS H 1.800 . 3.950 1.750 1.750 1.750 0.050 1 0 "[ ]" 1 559 1 76 VAL QG 1 77 LYS QB 1.800 . 4.840 2.902 2.902 2.902 . 0 0 "[ ]" 1 560 1 76 VAL HB 1 86 TYR QD 1.800 . 3.750 3.384 3.384 3.384 . 0 0 "[ ]" 1 561 1 76 VAL QG 1 86 TYR QB 1.800 . 4.850 3.288 3.288 3.288 . 0 0 "[ ]" 1 562 1 76 VAL QG 1 86 TYR QD 1.800 . 4.960 2.874 2.874 2.874 . 0 0 "[ ]" 1 563 1 77 LYS H 1 77 LYS QB 1.800 . 3.320 2.652 2.652 2.652 . 0 0 "[ ]" 1 564 1 77 LYS H 1 77 LYS QG 1.800 . 4.420 1.863 1.863 1.863 . 0 0 "[ ]" 1 565 1 77 LYS QB 1 77 LYS QG 1.800 . 3.060 2.010 2.010 2.010 . 0 0 "[ ]" 1 566 1 77 LYS QB 1 77 LYS QE 1.800 . 3.800 2.111 2.111 2.111 . 0 0 "[ ]" 1 567 1 77 LYS HA 1 78 CYS H 1.800 . 2.680 2.285 2.285 2.285 . 0 0 "[ ]" 1 568 1 77 LYS QB 1 78 CYS H 1.800 . 4.140 3.760 3.760 3.760 . 0 0 "[ ]" 1 569 1 77 LYS QG 1 84 GLN QG 1.800 . 4.380 2.982 2.982 2.982 . 0 0 "[ ]" 1 570 1 77 LYS H 1 86 TYR QE 1.800 . 4.090 3.909 3.909 3.909 . 0 0 "[ ]" 1 571 1 78 CYS H 1 78 CYS QB 1.800 . 3.380 3.054 3.054 3.054 . 0 0 "[ ]" 1 572 1 78 CYS HA 1 80 LEU QD 1.800 . 4.080 3.231 3.231 3.231 . 0 0 "[ ]" 1 573 1 79 PRO QD 1 79 PRO QG 1.800 . 3.520 1.976 1.976 1.976 . 0 0 "[ ]" 1 574 1 79 PRO QB 1 80 LEU H 1.800 . 3.970 3.653 3.653 3.653 . 0 0 "[ ]" 1 575 1 80 LEU H 1 80 LEU QB 1.800 . 3.600 2.295 2.295 2.295 . 0 0 "[ ]" 1 576 1 80 LEU H 1 80 LEU HG 1.800 . 3.140 3.368 3.368 3.368 0.228 1 0 "[ ]" 1 577 1 80 LEU H 1 80 LEU QD 1.800 . 4.970 2.284 2.284 2.284 . 0 0 "[ ]" 1 578 1 80 LEU QB 1 80 LEU QD 1.800 . 4.270 1.852 1.852 1.852 . 0 0 "[ ]" 1 579 1 80 LEU HA 1 80 LEU HG 1.800 . 3.600 3.636 3.636 3.636 0.036 1 0 "[ ]" 1 580 1 80 LEU QD 1 80 LEU HG 1.800 . 3.690 1.903 1.903 1.903 . 0 0 "[ ]" 1 581 1 80 LEU HA 1 80 LEU QD 1.800 . 3.630 1.756 1.756 1.756 0.044 1 0 "[ ]" 1 582 1 80 LEU QB 1 81 VAL H 1.800 . 3.730 1.908 1.908 1.908 . 0 0 "[ ]" 1 583 1 80 LEU QD 1 81 VAL H 1.800 . 5.220 3.669 3.669 3.669 . 0 0 "[ ]" 1 584 1 80 LEU QD 1 84 GLN QG 1.800 . 5.150 3.439 3.439 3.439 . 0 0 "[ ]" 1 585 1 80 LEU QD 1 86 TYR QE 1.800 . 4.710 1.729 1.729 1.729 0.071 1 0 "[ ]" 1 586 1 81 VAL H 1 81 VAL HB 1.800 . 3.000 3.357 3.357 3.357 0.357 1 0 "[ ]" 1 587 1 81 VAL H 1 81 VAL QG 1.800 . 3.840 2.076 2.076 2.076 . 0 0 "[ ]" 1 588 1 81 VAL HA 1 81 VAL QG 1.800 . 3.670 2.604 2.604 2.604 . 0 0 "[ ]" 1 589 1 81 VAL HA 1 82 LYS H 1.800 . 2.730 2.758 2.758 2.758 0.028 1 0 "[ ]" 1 590 1 81 VAL QG 1 82 LYS H 1.800 . 4.030 1.752 1.752 1.752 0.048 1 0 "[ ]" 1 591 1 81 VAL QG 1 83 GLY H 1.800 . 4.160 1.837 1.837 1.837 . 0 0 "[ ]" 1 592 1 82 LYS H 1 82 LYS QB 1.800 . 3.300 2.788 2.788 2.788 . 0 0 "[ ]" 1 593 1 82 LYS HA 1 82 LYS QG 1.800 . 3.310 3.206 3.206 3.206 . 0 0 "[ ]" 1 594 1 82 LYS QB 1 82 LYS QG 1.800 . 3.550 2.050 2.050 2.050 . 0 0 "[ ]" 1 595 1 82 LYS QD 1 82 LYS QG 1.800 . 3.600 2.066 2.066 2.066 . 0 0 "[ ]" 1 596 1 82 LYS QE 1 82 LYS QG 1.800 . 3.830 1.957 1.957 1.957 . 0 0 "[ ]" 1 597 1 82 LYS QD 1 82 LYS QE 1.800 . 3.190 2.049 2.049 2.049 . 0 0 "[ ]" 1 598 1 82 LYS HA 1 83 GLY H 1.800 . 2.750 2.785 2.785 2.785 0.035 1 0 "[ ]" 1 599 1 82 LYS QG 1 83 GLY H 1.800 . 3.830 3.475 3.475 3.475 . 0 0 "[ ]" 1 600 1 82 LYS QG 1 83 GLY QA 1.800 . 4.350 3.590 3.590 3.590 . 0 0 "[ ]" 1 601 1 82 LYS HA 1 84 GLN H 1.800 . 3.820 3.633 3.633 3.633 . 0 0 "[ ]" 1 602 1 83 GLY H 1 84 GLN H 1.800 . 3.320 2.311 2.311 2.311 . 0 0 "[ ]" 1 603 1 83 GLY QA 1 84 GLN H 1.800 . 4.140 2.875 2.875 2.875 . 0 0 "[ ]" 1 604 1 84 GLN H 1 84 GLN QB 1.800 . 3.450 2.800 2.800 2.800 . 0 0 "[ ]" 1 605 1 84 GLN HA 1 85 GLN H 1.800 . 2.730 2.177 2.177 2.177 . 0 0 "[ ]" 1 606 1 84 GLN QG 1 85 GLN H 1.800 . 3.870 2.278 2.278 2.278 . 0 0 "[ ]" 1 607 1 84 GLN QB 1 85 GLN H 1.800 . 3.820 3.555 3.555 3.555 . 0 0 "[ ]" 1 608 1 85 GLN H 1 85 GLN QB 1.800 . 3.300 2.465 2.465 2.465 . 0 0 "[ ]" 1 609 1 85 GLN HA 1 85 GLN QG 1.800 . 3.550 2.253 2.253 2.253 . 0 0 "[ ]" 1 610 1 85 GLN QB 1 85 GLN QG 1.800 . 3.630 2.108 2.108 2.108 . 0 0 "[ ]" 1 611 1 85 GLN HA 1 86 TYR H 1.800 . 2.810 2.371 2.371 2.371 . 0 0 "[ ]" 1 612 1 85 GLN QB 1 86 TYR H 1.800 . 4.050 3.561 3.561 3.561 . 0 0 "[ ]" 1 613 1 85 GLN QG 1 86 TYR H 1.800 . 4.000 2.447 2.447 2.447 . 0 0 "[ ]" 1 614 1 86 TYR H 1 86 TYR QB 1.800 . 3.760 2.888 2.888 2.888 . 0 0 "[ ]" 1 615 1 86 TYR H 1 86 TYR QD 1.800 . 4.000 3.624 3.624 3.624 . 0 0 "[ ]" 1 616 1 86 TYR HA 1 86 TYR QD 1.800 . 4.040 3.241 3.241 3.241 . 0 0 "[ ]" 1 617 1 86 TYR HA 1 87 ASP H 1.800 . 2.850 2.445 2.445 2.445 . 0 0 "[ ]" 1 618 1 86 TYR QB 1 87 ASP H 1.800 . 3.480 3.045 3.045 3.045 . 0 0 "[ ]" 1 619 1 86 TYR QE 1 88 ILE HB 1.800 . 3.950 2.435 2.435 2.435 . 0 0 "[ ]" 1 620 1 87 ASP H 1 87 ASP QB 1.800 . 3.550 2.967 2.967 2.967 . 0 0 "[ ]" 1 621 1 87 ASP H 1 88 ILE H 1.800 . 4.040 3.946 3.946 3.946 . 0 0 "[ ]" 1 622 1 87 ASP HA 1 88 ILE H 1.800 . 2.800 2.334 2.334 2.334 . 0 0 "[ ]" 1 623 1 87 ASP QB 1 88 ILE H 1.800 . 4.370 3.781 3.781 3.781 . 0 0 "[ ]" 1 624 1 88 ILE H 1 88 ILE HB 1.800 . 3.620 2.190 2.190 2.190 . 0 0 "[ ]" 1 625 1 88 ILE H 1 88 ILE MG 1.800 . 3.380 2.512 2.512 2.512 . 0 0 "[ ]" 1 626 1 88 ILE H 1 88 ILE MD 1.800 . 4.050 3.580 3.580 3.580 . 0 0 "[ ]" 1 627 1 88 ILE HA 1 88 ILE HB 1.800 . 3.050 2.618 2.618 2.618 . 0 0 "[ ]" 1 628 1 88 ILE HB 1 88 ILE MD 1.800 . 3.450 2.001 2.001 2.001 . 0 0 "[ ]" 1 629 1 88 ILE HA 1 88 ILE MG 1.800 . 4.240 3.167 3.167 3.167 . 0 0 "[ ]" 1 630 1 88 ILE HA 1 88 ILE QG 1.800 . 3.580 2.210 2.210 2.210 . 0 0 "[ ]" 1 631 1 88 ILE HA 1 89 LYS H 1.800 . 2.820 2.846 2.846 2.846 0.026 1 0 "[ ]" 1 632 1 88 ILE HB 1 89 LYS H 1.800 . 3.560 3.691 3.691 3.691 0.131 1 0 "[ ]" 1 633 1 88 ILE QG 1 89 LYS H 1.800 . 4.060 1.796 1.796 1.796 0.004 1 0 "[ ]" 1 634 1 89 LYS H 1 89 LYS QB 1.800 . 3.810 3.107 3.107 3.107 . 0 0 "[ ]" 1 635 1 89 LYS HA 1 89 LYS QG 1.800 . 3.670 1.987 1.987 1.987 . 0 0 "[ ]" 1 636 1 89 LYS QB 1 89 LYS QG 1.800 . 3.970 2.094 2.094 2.094 . 0 0 "[ ]" 1 637 1 89 LYS QE 1 89 LYS QG 1.800 . 3.960 2.088 2.088 2.088 . 0 0 "[ ]" 1 638 1 89 LYS QD 1 89 LYS QE 1.800 . 4.100 2.108 2.108 2.108 . 0 0 "[ ]" 1 639 1 89 LYS HA 1 90 TYR H 1.800 . 2.850 2.533 2.533 2.533 . 0 0 "[ ]" 1 640 1 89 LYS QB 1 90 TYR H 1.800 . 4.430 2.288 2.288 2.288 . 0 0 "[ ]" 1 641 1 89 LYS QG 1 90 TYR H 1.800 . 4.320 2.752 2.752 2.752 . 0 0 "[ ]" 1 642 1 90 TYR H 1 90 TYR QB 1.800 . 3.880 2.867 2.867 2.867 . 0 0 "[ ]" 1 643 1 90 TYR HA 1 90 TYR QD 1.800 . 3.790 2.463 2.463 2.463 . 0 0 "[ ]" 1 644 1 90 TYR HA 1 91 THR H 1.800 . 3.150 2.407 2.407 2.407 . 0 0 "[ ]" 1 645 1 91 THR H 1 91 THR HB 1.800 . 3.630 3.616 3.616 3.616 . 0 0 "[ ]" 1 646 1 92 TRP HA 1 92 TRP HD1 1.800 . 3.470 3.353 3.353 3.353 . 0 0 "[ ]" 1 647 1 92 TRP HA 1 93 ASN H 1.800 . 3.360 2.309 2.309 2.309 . 0 0 "[ ]" 1 648 1 92 TRP QB 1 94 VAL QG 1.800 . 4.580 3.048 3.048 3.048 . 0 0 "[ ]" 1 649 1 92 TRP HD1 1 94 VAL QG 1.800 . 4.740 1.727 1.727 1.727 0.073 1 0 "[ ]" 1 650 1 94 VAL H 1 94 VAL HB 1.800 . 3.070 2.289 2.289 2.289 . 0 0 "[ ]" 1 651 1 94 VAL H 1 94 VAL QG 1.800 . 3.910 2.905 2.905 2.905 . 0 0 "[ ]" 1 652 1 94 VAL HA 1 94 VAL QG 1.800 . 4.510 1.909 1.909 1.909 . 0 0 "[ ]" 1 653 1 94 VAL HB 1 94 VAL QG 1.800 . 3.810 1.889 1.889 1.889 . 0 0 "[ ]" 1 654 1 94 VAL QG 1 95 PRO QD 1.800 . 4.590 2.500 2.500 2.500 . 0 0 "[ ]" 1 655 1 94 VAL HA 1 95 PRO QD 1.800 . 3.710 1.827 1.827 1.827 . 0 0 "[ ]" 1 656 1 95 PRO QD 1 95 PRO QG 1.800 . 4.010 1.962 1.962 1.962 . 0 0 "[ ]" 1 657 1 95 PRO QB 1 97 ILE H 1.800 . 4.000 3.271 3.271 3.271 . 0 0 "[ ]" 1 658 1 95 PRO QD 1 97 ILE QG 1.800 . 4.320 2.019 2.019 2.019 . 0 0 "[ ]" 1 659 1 95 PRO QB 1 97 ILE QG 1.800 . 4.300 3.575 3.575 3.575 . 0 0 "[ ]" 1 660 1 95 PRO QD 1 97 ILE MD 1.800 . 3.730 1.795 1.795 1.795 0.005 1 0 "[ ]" 1 661 1 96 LYS HA 1 96 LYS QG 1.800 . 3.750 2.021 2.021 2.021 . 0 0 "[ ]" 1 662 1 96 LYS HA 1 96 LYS QD 1.800 . 3.530 2.866 2.866 2.866 . 0 0 "[ ]" 1 663 1 96 LYS QB 1 96 LYS QG 1.800 . 3.270 2.053 2.053 2.053 . 0 0 "[ ]" 1 664 1 96 LYS QB 1 96 LYS QD 1.800 . 3.260 2.075 2.075 2.075 . 0 0 "[ ]" 1 665 1 96 LYS QE 1 96 LYS QG 1.800 . 4.130 2.081 2.081 2.081 . 0 0 "[ ]" 1 666 1 96 LYS HA 1 97 ILE H 1.800 . 3.900 3.525 3.525 3.525 . 0 0 "[ ]" 1 667 1 96 LYS QB 1 97 ILE H 1.800 . 3.700 2.521 2.521 2.521 . 0 0 "[ ]" 1 668 1 97 ILE H 1 97 ILE HB 1.800 . 3.500 3.618 3.618 3.618 0.118 1 0 "[ ]" 1 669 1 97 ILE H 1 97 ILE QG 1.800 . 3.320 2.209 2.209 2.209 . 0 0 "[ ]" 1 670 1 97 ILE H 1 97 ILE MD 1.800 . 3.860 3.252 3.252 3.252 . 0 0 "[ ]" 1 671 1 97 ILE HA 1 97 ILE HB 1.800 . 3.070 3.016 3.016 3.016 . 0 0 "[ ]" 1 672 1 97 ILE HB 1 97 ILE MD 1.800 . 3.130 1.979 1.979 1.979 . 0 0 "[ ]" 1 673 1 97 ILE H 1 98 ALA H 1.800 . 3.470 2.982 2.982 2.982 . 0 0 "[ ]" 1 674 1 97 ILE HB 1 98 ALA H 1.800 . 3.970 3.599 3.599 3.599 . 0 0 "[ ]" 1 675 1 98 ALA H 1 98 ALA MB 1.800 . 3.330 2.793 2.793 2.793 . 0 0 "[ ]" 1 676 1 98 ALA HA 1 99 PRO QD 1.800 . 3.060 2.070 2.070 2.070 . 0 0 "[ ]" 1 677 1 98 ALA MB 1 99 PRO QD 1.800 . 4.030 1.757 1.757 1.757 0.043 1 0 "[ ]" 1 678 1 98 ALA H 1 99 PRO QD 1.800 . 4.360 4.096 4.096 4.096 . 0 0 "[ ]" 1 679 1 99 PRO QD 1 99 PRO QG 1.800 . 3.560 1.986 1.986 1.986 . 0 0 "[ ]" 1 680 1 99 PRO HA 1 99 PRO QG 1.800 . 3.670 3.529 3.529 3.529 . 0 0 "[ ]" 1 681 1 99 PRO HA 1 100 LYS H 1.800 . 2.870 2.299 2.299 2.299 . 0 0 "[ ]" 1 682 1 99 PRO QB 1 100 LYS H 1.800 . 4.350 2.954 2.954 2.954 . 0 0 "[ ]" 1 683 1 99 PRO QG 1 100 LYS QB 1.800 . 4.180 3.539 3.539 3.539 . 0 0 "[ ]" 1 684 1 99 PRO HA 1 128 ARG QB 1.800 . 4.030 3.697 3.697 3.697 . 0 0 "[ ]" 1 685 1 99 PRO QB 1 128 ARG QB 1.800 . 3.810 2.976 2.976 2.976 . 0 0 "[ ]" 1 686 1 100 LYS H 1 100 LYS QB 1.800 . 3.430 3.222 3.222 3.222 . 0 0 "[ ]" 1 687 1 100 LYS H 1 100 LYS QG 1.800 . 3.730 2.641 2.641 2.641 . 0 0 "[ ]" 1 688 1 100 LYS HA 1 100 LYS QG 1.800 . 3.650 2.896 2.896 2.896 . 0 0 "[ ]" 1 689 1 100 LYS HA 1 100 LYS QD 1.800 . 3.140 1.786 1.786 1.786 0.014 1 0 "[ ]" 1 690 1 100 LYS QB 1 100 LYS QG 1.800 . 3.460 2.015 2.015 2.015 . 0 0 "[ ]" 1 691 1 100 LYS HA 1 101 SER H 1.800 . 2.890 2.191 2.191 2.191 . 0 0 "[ ]" 1 692 1 100 LYS HA 1 127 ILE MG 1.800 . 3.400 2.977 2.977 2.977 . 0 0 "[ ]" 1 693 1 100 LYS HA 1 127 ILE MD 1.800 . 4.320 3.657 3.657 3.657 . 0 0 "[ ]" 1 694 1 100 LYS QG 1 128 ARG HA 1.800 . 4.010 3.614 3.614 3.614 . 0 0 "[ ]" 1 695 1 100 LYS QD 1 128 ARG HA 1.800 . 3.960 3.828 3.828 3.828 . 0 0 "[ ]" 1 696 1 100 LYS QD 1 128 ARG QB 1.800 . 4.140 1.641 1.641 1.641 0.159 1 0 "[ ]" 1 697 1 100 LYS QD 1 129 ASP H 1.800 . 4.230 3.860 3.860 3.860 . 0 0 "[ ]" 1 698 1 101 SER HA 1 102 GLU H 1.800 . 3.140 2.293 2.293 2.293 . 0 0 "[ ]" 1 699 1 101 SER HA 1 103 ASN H 1.800 . 3.910 3.949 3.949 3.949 0.039 1 0 "[ ]" 1 700 1 101 SER QB 1 103 ASN H 1.800 . 4.390 2.969 2.969 2.969 . 0 0 "[ ]" 1 701 1 101 SER QB 1 104 VAL QG 1.800 . 4.150 1.950 1.950 1.950 . 0 0 "[ ]" 1 702 1 101 SER H 1 127 ILE H 1.800 . 3.450 2.492 2.492 2.492 . 0 0 "[ ]" 1 703 1 101 SER H 1 127 ILE HB 1.800 . 3.060 2.193 2.193 2.193 . 0 0 "[ ]" 1 704 1 101 SER H 1 127 ILE MG 1.800 . 4.600 3.708 3.708 3.708 . 0 0 "[ ]" 1 705 1 101 SER H 1 127 ILE MD 1.800 . 4.390 2.403 2.403 2.403 . 0 0 "[ ]" 1 706 1 102 GLU H 1 102 GLU QG 1.800 . 4.110 3.050 3.050 3.050 . 0 0 "[ ]" 1 707 1 102 GLU QB 1 102 GLU QG 1.800 . 2.900 2.085 2.085 2.085 . 0 0 "[ ]" 1 708 1 102 GLU H 1 103 ASN H 1.800 . 3.470 2.867 2.867 2.867 . 0 0 "[ ]" 1 709 1 103 ASN HA 1 104 VAL H 1.800 . 2.890 2.371 2.371 2.371 . 0 0 "[ ]" 1 710 1 103 ASN H 1 104 VAL QG 1.800 . 4.280 3.048 3.048 3.048 . 0 0 "[ ]" 1 711 1 103 ASN HA 1 104 VAL QG 1.800 . 3.800 2.828 2.828 2.828 . 0 0 "[ ]" 1 712 1 104 VAL H 1 104 VAL HB 1.800 . 3.400 3.344 3.344 3.344 . 0 0 "[ ]" 1 713 1 104 VAL H 1 104 VAL QG 1.800 . 4.410 2.368 2.368 2.368 . 0 0 "[ ]" 1 714 1 104 VAL HB 1 104 VAL QG 1.800 . 4.010 1.906 1.906 1.906 . 0 0 "[ ]" 1 715 1 104 VAL HA 1 105 VAL H 1.800 . 3.000 2.396 2.396 2.396 . 0 0 "[ ]" 1 716 1 104 VAL QG 1 105 VAL H 1.800 . 4.080 2.091 2.091 2.091 . 0 0 "[ ]" 1 717 1 104 VAL HB 1 125 GLY QA 1.800 . 3.950 2.964 2.964 2.964 . 0 0 "[ ]" 1 718 1 104 VAL QG 1 125 GLY QA 1.800 . 5.350 3.349 3.349 3.349 . 0 0 "[ ]" 1 719 1 104 VAL QG 1 126 LYS HA 1.800 . 3.640 2.727 2.727 2.727 . 0 0 "[ ]" 1 720 1 104 VAL QG 1 127 ILE H 1.800 . 4.420 2.895 2.895 2.895 . 0 0 "[ ]" 1 721 1 105 VAL H 1 105 VAL QG 1.800 . 4.930 3.301 3.301 3.301 . 0 0 "[ ]" 1 722 1 105 VAL HB 1 105 VAL QG 1.800 . 3.330 1.912 1.912 1.912 . 0 0 "[ ]" 1 723 1 105 VAL HA 1 106 VAL H 1.800 . 2.980 2.207 2.207 2.207 . 0 0 "[ ]" 1 724 1 105 VAL QG 1 106 VAL H 1.800 . 5.220 2.862 2.862 2.862 . 0 0 "[ ]" 1 725 1 106 VAL H 1 106 VAL HB 1.800 . 3.330 2.535 2.535 2.535 . 0 0 "[ ]" 1 726 1 106 VAL H 1 106 VAL QG 1.800 . 4.190 2.552 2.552 2.552 . 0 0 "[ ]" 1 727 1 106 VAL HA 1 106 VAL QG 1.800 . 3.720 2.097 2.097 2.097 . 0 0 "[ ]" 1 728 1 106 VAL HA 1 107 THR H 1.800 . 2.860 2.276 2.276 2.276 . 0 0 "[ ]" 1 729 1 106 VAL QG 1 107 THR H 1.800 . 4.240 1.823 1.823 1.823 . 0 0 "[ ]" 1 730 1 106 VAL H 1 122 ALA H 1.800 . 3.780 3.811 3.811 3.811 0.031 1 0 "[ ]" 1 731 1 106 VAL H 1 122 ALA MB 1.800 . 4.690 2.955 2.955 2.955 . 0 0 "[ ]" 1 732 1 106 VAL QG 1 122 ALA H 1.800 . 5.150 3.121 3.121 3.121 . 0 0 "[ ]" 1 733 1 106 VAL HB 1 122 ALA MB 1.800 . 3.670 1.851 1.851 1.851 . 0 0 "[ ]" 1 734 1 107 THR HA 1 107 THR MG 1.800 . 3.420 2.198 2.198 2.198 . 0 0 "[ ]" 1 735 1 107 THR H 1 107 THR HB 1.800 . 3.290 3.175 3.175 3.175 . 0 0 "[ ]" 1 736 1 107 THR HA 1 108 VAL H 1.800 . 2.820 2.408 2.408 2.408 . 0 0 "[ ]" 1 737 1 107 THR MG 1 108 VAL H 1.800 . 3.730 2.129 2.129 2.129 . 0 0 "[ ]" 1 738 1 107 THR HA 1 121 ILE HA 1.800 . 2.500 1.940 1.940 1.940 . 0 0 "[ ]" 1 739 1 107 THR HA 1 122 ALA H 1.800 . 3.330 3.195 3.195 3.195 . 0 0 "[ ]" 1 740 1 108 VAL H 1 108 VAL HB 1.800 . 3.120 2.951 2.951 2.951 . 0 0 "[ ]" 1 741 1 108 VAL H 1 108 VAL QG 1.800 . 4.590 3.299 3.299 3.299 . 0 0 "[ ]" 1 742 1 108 VAL HB 1 108 VAL QG 1.800 . 3.710 1.902 1.902 1.902 . 0 0 "[ ]" 1 743 1 108 VAL HA 1 108 VAL QG 1.800 . 4.530 1.970 1.970 1.970 . 0 0 "[ ]" 1 744 1 108 VAL HA 1 109 LYS H 1.800 . 2.790 2.391 2.391 2.391 . 0 0 "[ ]" 1 745 1 108 VAL HB 1 109 LYS H 1.800 . 3.830 3.911 3.911 3.911 0.081 1 0 "[ ]" 1 746 1 108 VAL QG 1 109 LYS H 1.800 . 4.660 1.778 1.778 1.778 0.022 1 0 "[ ]" 1 747 1 108 VAL HB 1 120 ALA H 1.800 . 3.930 3.119 3.119 3.119 . 0 0 "[ ]" 1 748 1 108 VAL QG 1 120 ALA H 1.800 . 5.200 2.740 2.740 2.740 . 0 0 "[ ]" 1 749 1 108 VAL HB 1 120 ALA MB 1.800 . 3.750 1.961 1.961 1.961 . 0 0 "[ ]" 1 750 1 108 VAL QG 1 120 ALA MB 1.800 . 4.200 2.516 2.516 2.516 . 0 0 "[ ]" 1 751 1 109 LYS H 1 109 LYS QB 1.800 . 3.910 2.982 2.982 2.982 . 0 0 "[ ]" 1 752 1 109 LYS H 1 109 LYS QG 1.800 . 4.370 3.981 3.981 3.981 . 0 0 "[ ]" 1 753 1 109 LYS HA 1 109 LYS QG 1.800 . 3.520 2.567 2.567 2.567 . 0 0 "[ ]" 1 754 1 109 LYS QB 1 109 LYS QG 1.800 . 3.490 2.076 2.076 2.076 . 0 0 "[ ]" 1 755 1 109 LYS QE 1 109 LYS QG 1.800 . 3.750 2.352 2.352 2.352 . 0 0 "[ ]" 1 756 1 109 LYS QD 1 109 LYS QE 1.800 . 3.380 2.098 2.098 2.098 . 0 0 "[ ]" 1 757 1 109 LYS HA 1 110 LEU H 1.800 . 2.720 2.178 2.178 2.178 . 0 0 "[ ]" 1 758 1 109 LYS QB 1 110 LEU H 1.800 . 4.150 3.710 3.710 3.710 . 0 0 "[ ]" 1 759 1 109 LYS QG 1 110 LEU H 1.800 . 3.820 2.394 2.394 2.394 . 0 0 "[ ]" 1 760 1 109 LYS QG 1 111 ILE H 1.800 . 4.100 3.761 3.761 3.761 . 0 0 "[ ]" 1 761 1 109 LYS QG 1 111 ILE MD 1.800 . 4.740 2.310 2.310 2.310 . 0 0 "[ ]" 1 762 1 109 LYS QD 1 111 ILE QG 1.800 . 3.000 2.293 2.293 2.293 . 0 0 "[ ]" 1 763 1 109 LYS QD 1 111 ILE MD 1.800 . 4.500 2.673 2.673 2.673 . 0 0 "[ ]" 1 764 1 109 LYS QE 1 111 ILE MD 1.800 . 4.030 2.499 2.499 2.499 . 0 0 "[ ]" 1 765 1 109 LYS QG 1 116 VAL HB 1.800 . 4.040 3.617 3.617 3.617 . 0 0 "[ ]" 1 766 1 109 LYS HA 1 119 CYS HA 1.800 . 2.500 1.837 1.837 1.837 . 0 0 "[ ]" 1 767 1 109 LYS QD 1 119 CYS QB 1.800 . 3.780 3.036 3.036 3.036 . 0 0 "[ ]" 1 768 1 109 LYS QB 1 119 CYS QB 1.800 . 3.960 2.996 2.996 2.996 . 0 0 "[ ]" 1 769 1 109 LYS HA 1 120 ALA H 1.800 . 3.990 3.665 3.665 3.665 . 0 0 "[ ]" 1 770 1 110 LEU H 1 110 LEU QB 1.800 . 3.470 2.482 2.482 2.482 . 0 0 "[ ]" 1 771 1 110 LEU HA 1 110 LEU QD 1.800 . 4.230 1.878 1.878 1.878 . 0 0 "[ ]" 1 772 1 110 LEU QB 1 110 LEU QD 1.800 . 4.820 1.920 1.920 1.920 . 0 0 "[ ]" 1 773 1 110 LEU HA 1 110 LEU HG 1.800 . 3.340 2.752 2.752 2.752 . 0 0 "[ ]" 1 774 1 110 LEU HA 1 111 ILE H 1.800 . 2.970 2.193 2.193 2.193 . 0 0 "[ ]" 1 775 1 110 LEU HA 1 111 ILE QG 1.800 . 4.040 3.247 3.247 3.247 . 0 0 "[ ]" 1 776 1 110 LEU QB 1 117 LEU QD 1.800 . 4.660 2.845 2.845 2.845 . 0 0 "[ ]" 1 777 1 110 LEU HG 1 117 LEU QD 1.800 . 3.200 1.798 1.798 1.798 0.002 1 0 "[ ]" 1 778 1 110 LEU H 1 118 ALA H 1.800 . 3.370 2.574 2.574 2.574 . 0 0 "[ ]" 1 779 1 110 LEU QB 1 118 ALA H 1.800 . 3.490 1.829 1.829 1.829 . 0 0 "[ ]" 1 780 1 110 LEU H 1 119 CYS HA 1.800 . 4.000 3.351 3.351 3.351 . 0 0 "[ ]" 1 781 1 111 ILE H 1 111 ILE HB 1.800 . 3.280 2.779 2.779 2.779 . 0 0 "[ ]" 1 782 1 111 ILE HA 1 111 ILE MG 1.800 . 3.380 2.248 2.248 2.248 . 0 0 "[ ]" 1 783 1 111 ILE HA 1 111 ILE QG 1.800 . 3.800 2.604 2.604 2.604 . 0 0 "[ ]" 1 784 1 111 ILE HA 1 112 GLY H 1.800 . 2.770 2.222 2.222 2.222 . 0 0 "[ ]" 1 785 1 111 ILE MG 1 112 GLY H 1.800 . 3.560 2.904 2.904 2.904 . 0 0 "[ ]" 1 786 1 111 ILE HA 1 116 VAL HA 1.800 . 2.500 2.045 2.045 2.045 . 0 0 "[ ]" 1 787 1 111 ILE QG 1 116 VAL HB 1.800 . 3.860 2.942 2.942 2.942 . 0 0 "[ ]" 1 788 1 111 ILE MG 1 116 VAL HA 1.800 . 3.800 2.922 2.922 2.922 . 0 0 "[ ]" 1 789 1 111 ILE H 1 117 LEU QD 1.800 . 4.480 3.346 3.346 3.346 . 0 0 "[ ]" 1 790 1 112 GLY QA 1 113 ASP H 1.800 . 3.480 2.197 2.197 2.197 . 0 0 "[ ]" 1 791 1 112 GLY QA 1 114 ASN H 1.800 . 4.460 3.390 3.390 3.390 . 0 0 "[ ]" 1 792 1 112 GLY QA 1 114 ASN QD 1.800 . 4.380 3.348 3.348 3.348 . 0 0 "[ ]" 1 793 1 112 GLY H 1 115 GLY H 1.800 . 3.830 3.463 3.463 3.463 . 0 0 "[ ]" 1 794 1 112 GLY H 1 116 VAL HA 1.800 . 3.480 3.482 3.482 3.482 0.002 1 0 "[ ]" 1 795 1 112 GLY H 1 117 LEU H 1.800 . 3.990 2.844 2.844 2.844 . 0 0 "[ ]" 1 796 1 112 GLY H 1 117 LEU HG 1.800 . 3.390 2.720 2.720 2.720 . 0 0 "[ ]" 1 797 1 112 GLY H 1 117 LEU QD 1.800 . 5.110 2.374 2.374 2.374 . 0 0 "[ ]" 1 798 1 112 GLY QA 1 117 LEU QD 1.800 . 4.860 2.135 2.135 2.135 . 0 0 "[ ]" 1 799 1 112 GLY QA 1 117 LEU HG 1.800 . 3.970 3.510 3.510 3.510 . 0 0 "[ ]" 1 800 1 113 ASP H 1 113 ASP QB 1.800 . 3.600 2.665 2.665 2.665 . 0 0 "[ ]" 1 801 1 113 ASP H 1 114 ASN H 1.800 . 3.510 1.723 1.723 1.723 0.077 1 0 "[ ]" 1 802 1 113 ASP H 1 114 ASN HA 1.800 . 3.950 4.363 4.363 4.363 0.413 1 0 "[ ]" 1 803 1 113 ASP QB 1 114 ASN H 1.800 . 3.790 3.459 3.459 3.459 . 0 0 "[ ]" 1 804 1 113 ASP H 1 114 ASN QD 1.800 . 3.420 1.986 1.986 1.986 . 0 0 "[ ]" 1 805 1 114 ASN H 1 114 ASN QB 1.800 . 3.470 2.741 2.741 2.741 . 0 0 "[ ]" 1 806 1 114 ASN H 1 115 GLY H 1.800 . 3.100 1.846 1.846 1.846 . 0 0 "[ ]" 1 807 1 114 ASN HA 1 115 GLY H 1.800 . 3.420 3.430 3.430 3.430 0.010 1 0 "[ ]" 1 808 1 115 GLY QA 1 116 VAL H 1.800 . 3.830 2.234 2.234 2.234 . 0 0 "[ ]" 1 809 1 116 VAL H 1 116 VAL HB 1.800 . 3.310 3.253 3.253 3.253 . 0 0 "[ ]" 1 810 1 116 VAL H 1 116 VAL QG 1.800 . 4.580 1.834 1.834 1.834 . 0 0 "[ ]" 1 811 1 116 VAL HA 1 116 VAL QG 1.800 . 3.880 2.429 2.429 2.429 . 0 0 "[ ]" 1 812 1 116 VAL HB 1 116 VAL QG 1.800 . 3.630 1.902 1.902 1.902 . 0 0 "[ ]" 1 813 1 116 VAL HA 1 117 LEU H 1.800 . 2.800 2.207 2.207 2.207 . 0 0 "[ ]" 1 814 1 116 VAL QG 1 117 LEU H 1.800 . 4.100 3.053 3.053 3.053 . 0 0 "[ ]" 1 815 1 116 VAL QG 1 119 CYS QB 1.800 . 4.600 2.372 2.372 2.372 . 0 0 "[ ]" 1 816 1 117 LEU H 1 117 LEU QD 1.800 . 4.440 2.593 2.593 2.593 . 0 0 "[ ]" 1 817 1 117 LEU H 1 117 LEU QB 1.800 . 3.820 2.533 2.533 2.533 . 0 0 "[ ]" 1 818 1 117 LEU QB 1 117 LEU QD 1.800 . 4.200 1.745 1.745 1.745 0.055 1 0 "[ ]" 1 819 1 117 LEU H 1 117 LEU HG 1.800 . 3.700 2.090 2.090 2.090 . 0 0 "[ ]" 1 820 1 117 LEU HA 1 117 LEU HG 1.800 . 3.600 2.529 2.529 2.529 . 0 0 "[ ]" 1 821 1 117 LEU QD 1 117 LEU HG 1.800 . 3.140 1.903 1.903 1.903 . 0 0 "[ ]" 1 822 1 117 LEU HA 1 117 LEU QD 1.800 . 3.950 2.686 2.686 2.686 . 0 0 "[ ]" 1 823 1 117 LEU H 1 118 ALA H 1.800 . 2.950 2.958 2.958 2.958 0.008 1 0 "[ ]" 1 824 1 117 LEU QB 1 118 ALA H 1.800 . 3.480 2.351 2.351 2.351 . 0 0 "[ ]" 1 825 1 117 LEU QD 1 118 ALA H 1.800 . 5.170 3.669 3.669 3.669 . 0 0 "[ ]" 1 826 1 118 ALA H 1 118 ALA MB 1.800 . 3.510 2.567 2.567 2.567 . 0 0 "[ ]" 1 827 1 118 ALA HA 1 119 CYS H 1.800 . 3.100 2.654 2.654 2.654 . 0 0 "[ ]" 1 828 1 118 ALA MB 1 119 CYS H 1.800 . 4.280 1.951 1.951 1.951 . 0 0 "[ ]" 1 829 1 119 CYS HA 1 120 ALA H 1.800 . 2.840 2.355 2.355 2.355 . 0 0 "[ ]" 1 830 1 120 ALA H 1 120 ALA MB 1.800 . 3.800 2.881 2.881 2.881 . 0 0 "[ ]" 1 831 1 120 ALA HA 1 121 ILE H 1.800 . 2.880 2.202 2.202 2.202 . 0 0 "[ ]" 1 832 1 120 ALA MB 1 121 ILE H 1.800 . 3.840 3.163 3.163 3.163 . 0 0 "[ ]" 1 833 1 121 ILE H 1 121 ILE HB 1.800 . 3.130 2.792 2.792 2.792 . 0 0 "[ ]" 1 834 1 121 ILE H 1 121 ILE QG 1.800 . 4.330 3.193 3.193 3.193 . 0 0 "[ ]" 1 835 1 121 ILE H 1 121 ILE MD 1.800 . 4.460 2.955 2.955 2.955 . 0 0 "[ ]" 1 836 1 121 ILE HA 1 121 ILE MG 1.800 . 3.550 2.294 2.294 2.294 . 0 0 "[ ]" 1 837 1 121 ILE HA 1 121 ILE QG 1.800 . 3.680 2.350 2.350 2.350 . 0 0 "[ ]" 1 838 1 121 ILE HA 1 122 ALA H 1.800 . 2.940 2.208 2.208 2.208 . 0 0 "[ ]" 1 839 1 121 ILE MG 1 122 ALA H 1.800 . 3.940 2.333 2.333 2.333 . 0 0 "[ ]" 1 840 1 122 ALA H 1 122 ALA MB 1.800 . 3.870 2.415 2.415 2.415 . 0 0 "[ ]" 1 841 1 123 THR HA 1 123 THR MG 1.800 . 3.670 2.072 2.072 2.072 . 0 0 "[ ]" 1 842 1 123 THR HA 1 124 HIS H 1.800 . 2.960 2.184 2.184 2.184 . 0 0 "[ ]" 1 843 1 123 THR MG 1 124 HIS H 1.800 . 4.240 2.946 2.946 2.946 . 0 0 "[ ]" 1 844 1 124 HIS HA 1 125 GLY H 1.800 . 3.990 2.329 2.329 2.329 . 0 0 "[ ]" 1 845 1 125 GLY QA 1 126 LYS H 1.800 . 3.340 2.186 2.186 2.186 . 0 0 "[ ]" 1 846 1 126 LYS H 1 126 LYS QB 1.800 . 3.720 2.336 2.336 2.336 . 0 0 "[ ]" 1 847 1 126 LYS HA 1 127 ILE H 1.800 . 3.030 2.196 2.196 2.196 . 0 0 "[ ]" 1 848 1 127 ILE H 1 127 ILE HB 1.800 . 3.230 2.291 2.291 2.291 . 0 0 "[ ]" 1 849 1 127 ILE H 1 127 ILE QG 1.800 . 3.920 3.320 3.320 3.320 . 0 0 "[ ]" 1 850 1 127 ILE HA 1 127 ILE MG 1.800 . 3.500 2.461 2.461 2.461 . 0 0 "[ ]" 1 851 1 127 ILE HA 1 127 ILE QG 1.800 . 3.820 2.166 2.166 2.166 . 0 0 "[ ]" 1 852 1 127 ILE HA 1 127 ILE MD 1.800 . 4.050 3.131 3.131 3.131 . 0 0 "[ ]" 1 853 1 127 ILE HB 1 127 ILE MD 1.800 . 3.260 1.997 1.997 1.997 . 0 0 "[ ]" 1 854 1 127 ILE HA 1 128 ARG H 1.800 . 2.750 2.341 2.341 2.341 . 0 0 "[ ]" 1 855 1 127 ILE MG 1 128 ARG H 1.800 . 3.720 1.847 1.847 1.847 . 0 0 "[ ]" 1 856 1 127 ILE QG 1 128 ARG H 1.800 . 4.400 3.745 3.745 3.745 . 0 0 "[ ]" 1 857 1 127 ILE MG 1 128 ARG HA 1.800 . 3.640 2.973 2.973 2.973 . 0 0 "[ ]" 1 858 1 128 ARG QB 1 128 ARG QG 1.800 . 4.180 2.052 2.052 2.052 . 0 0 "[ ]" 1 859 1 128 ARG QB 1 128 ARG QD 1.800 . 4.240 1.894 1.894 1.894 . 0 0 "[ ]" 1 860 1 128 ARG QD 1 128 ARG QG 1.800 . 4.080 2.058 2.058 2.058 . 0 0 "[ ]" 1 861 1 128 ARG QB 1 129 ASP H 1.800 . 3.340 2.056 2.056 2.056 . 0 0 "[ ]" 1 862 1 129 ASP H 1 129 ASP QB 1.800 . 3.450 2.991 2.991 2.991 . 0 0 "[ ]" 1 stop_ save_ save_distance_constraint_statistics_2 _Distance_constraint_stats_list.Sf_category distance_constraint_statistics _Distance_constraint_stats_list.Constraint_list_ID 2 _Distance_constraint_stats_list.Constraint_count 3 _Distance_constraint_stats_list.Viol_count 0 _Distance_constraint_stats_list.Viol_total 0.000 _Distance_constraint_stats_list.Viol_max 0.000 _Distance_constraint_stats_list.Viol_rms 0.0000 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0000 _Distance_constraint_stats_list.Viol_average_violations_only 0.0000 _Distance_constraint_stats_list.Cutoff_violation_report 0.500 _Distance_constraint_stats_list.Details . loop_ _Distance_constraint_stats_per_res.Atom_entity_assembly_ID _Distance_constraint_stats_per_res.Atom_comp_index_ID _Distance_constraint_stats_per_res.Atom_comp_ID _Distance_constraint_stats_per_res.Total_violation _Distance_constraint_stats_per_res.Max_violation _Distance_constraint_stats_per_res.Max_violation_model_number _Distance_constraint_stats_per_res.Over_cutoff_viol_count _Distance_constraint_stats_per_res.Over_cutoff_viol_per_model 1 8 CYS 0.000 0.000 . 0 "[ ]" 1 21 CYS 0.000 0.000 . 0 "[ ]" 1 27 CYS 0.000 0.000 . 0 "[ ]" 1 73 CYS 0.000 0.000 . 0 "[ ]" 1 78 CYS 0.000 0.000 . 0 "[ ]" 1 119 CYS 0.000 0.000 . 0 "[ ]" 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 8 CYS SG 1 119 CYS SG 2.020 . 2.120 2.022 2.022 2.022 . 0 0 "[ ]" 2 2 1 21 CYS SG 1 27 CYS SG 2.020 . 2.120 2.023 2.023 2.023 . 0 0 "[ ]" 2 3 1 73 CYS SG 1 78 CYS SG 2.020 . 2.120 2.027 2.027 2.027 . 0 0 "[ ]" 2 stop_ save_
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