NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
430725 | 2jov | 15203 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2jov 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 690 _Distance_constraint_stats_list.Viol_count 796 _Distance_constraint_stats_list.Viol_total 104.510 _Distance_constraint_stats_list.Viol_max 0.031 _Distance_constraint_stats_list.Viol_rms 0.0020 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0004 _Distance_constraint_stats_list.Viol_average_violations_only 0.0066 _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 3 LYS 0.107 0.017 7 0 "[ . 1 . 2]" 1 4 ASP 0.050 0.010 1 0 "[ . 1 . 2]" 1 5 ILE 0.265 0.020 6 0 "[ . 1 . 2]" 1 6 PHE 0.296 0.017 3 0 "[ . 1 . 2]" 1 7 THR 0.108 0.022 5 0 "[ . 1 . 2]" 1 8 SER 0.071 0.009 3 0 "[ . 1 . 2]" 1 9 VAL 0.020 0.008 12 0 "[ . 1 . 2]" 1 10 VAL 0.036 0.010 15 0 "[ . 1 . 2]" 1 11 ARG 0.062 0.011 14 0 "[ . 1 . 2]" 1 12 VAL 0.368 0.023 10 0 "[ . 1 . 2]" 1 13 ARG 0.138 0.017 3 0 "[ . 1 . 2]" 1 14 GLY 0.105 0.021 2 0 "[ . 1 . 2]" 1 15 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 16 LYS 0.392 0.023 16 0 "[ . 1 . 2]" 1 17 LYS 0.000 0.000 . 0 "[ . 1 . 2]" 1 18 TYR 0.184 0.023 16 0 "[ . 1 . 2]" 1 19 ASN 0.136 0.023 16 0 "[ . 1 . 2]" 1 20 VAL 0.204 0.023 16 0 "[ . 1 . 2]" 1 21 VAL 0.205 0.023 5 0 "[ . 1 . 2]" 1 22 PRO 0.051 0.010 14 0 "[ . 1 . 2]" 1 23 VAL 0.225 0.011 15 0 "[ . 1 . 2]" 1 24 LYS 0.030 0.008 7 0 "[ . 1 . 2]" 1 25 SER 0.420 0.022 5 0 "[ . 1 . 2]" 1 26 ASN 0.199 0.019 19 0 "[ . 1 . 2]" 1 27 LYS 0.117 0.009 11 0 "[ . 1 . 2]" 1 28 PRO 0.127 0.013 6 0 "[ . 1 . 2]" 1 29 VAL 0.401 0.020 6 0 "[ . 1 . 2]" 1 30 GLU 0.086 0.017 7 0 "[ . 1 . 2]" 1 31 ILE 0.109 0.031 18 0 "[ . 1 . 2]" 1 32 SER 0.111 0.031 18 0 "[ . 1 . 2]" 1 33 LYS 0.095 0.022 10 0 "[ . 1 . 2]" 1 34 TRP 0.000 0.000 . 0 "[ . 1 . 2]" 1 35 ILE 0.045 0.010 9 0 "[ . 1 . 2]" 1 36 ASP 0.079 0.020 20 0 "[ . 1 . 2]" 1 37 PHE 0.081 0.007 10 0 "[ . 1 . 2]" 1 38 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 39 ASN 0.065 0.020 20 0 "[ . 1 . 2]" 1 40 VAL 0.102 0.011 17 0 "[ . 1 . 2]" 1 41 LEU 0.136 0.021 17 0 "[ . 1 . 2]" 1 42 SER 0.027 0.021 17 0 "[ . 1 . 2]" 1 43 ARG 0.015 0.005 3 0 "[ . 1 . 2]" 1 44 LEU 0.103 0.019 19 0 "[ . 1 . 2]" 1 45 TYR 0.109 0.019 19 0 "[ . 1 . 2]" 1 46 VAL 0.043 0.005 9 0 "[ . 1 . 2]" 1 47 GLY 0.165 0.021 18 0 "[ . 1 . 2]" 1 48 VAL 0.137 0.021 18 0 "[ . 1 . 2]" 1 49 PRO 0.099 0.011 16 0 "[ . 1 . 2]" 1 50 THR 0.251 0.023 6 0 "[ . 1 . 2]" 1 51 LYS 0.072 0.018 11 0 "[ . 1 . 2]" 1 52 SER 0.114 0.021 11 0 "[ . 1 . 2]" 1 53 GLY 0.048 0.009 5 0 "[ . 1 . 2]" 1 54 ASN 0.341 0.028 14 0 "[ . 1 . 2]" 1 55 VAL 0.279 0.018 3 0 "[ . 1 . 2]" 1 56 VAL 0.042 0.008 10 0 "[ . 1 . 2]" 1 57 CYS 0.042 0.010 5 0 "[ . 1 . 2]" 1 58 LYS 0.085 0.018 3 0 "[ . 1 . 2]" 1 59 ASN 0.110 0.022 6 0 "[ . 1 . 2]" 1 60 ILE 0.158 0.019 11 0 "[ . 1 . 2]" 1 61 MET 0.117 0.011 17 0 "[ . 1 . 2]" 1 62 ASN 0.016 0.007 6 0 "[ . 1 . 2]" 1 63 THR 0.200 0.022 6 0 "[ . 1 . 2]" 1 64 GLY 0.024 0.010 19 0 "[ . 1 . 2]" 1 65 VAL 0.439 0.021 12 0 "[ . 1 . 2]" 1 66 ASP 0.016 0.005 5 0 "[ . 1 . 2]" 1 67 ILE 0.192 0.011 2 0 "[ . 1 . 2]" 1 68 ILE 0.130 0.009 5 0 "[ . 1 . 2]" 1 69 CYS 0.150 0.018 7 0 "[ . 1 . 2]" 1 70 THR 0.609 0.028 14 0 "[ . 1 . 2]" 1 71 LYS 0.121 0.014 8 0 "[ . 1 . 2]" 1 72 ASN 0.268 0.026 15 0 "[ . 1 . 2]" 1 73 LEU 0.362 0.023 6 0 "[ . 1 . 2]" 1 74 PRO 0.036 0.012 13 0 "[ . 1 . 2]" 1 75 LYS 0.154 0.024 15 0 "[ . 1 . 2]" 1 76 ASP 0.119 0.024 15 0 "[ . 1 . 2]" 1 77 SER 0.009 0.009 8 0 "[ . 1 . 2]" 1 78 LEU 0.016 0.009 8 0 "[ . 1 . 2]" 1 79 GLU 0.007 0.007 4 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 3 LYS HA 1 31 ILE MG 1.800 . 5.000 3.868 2.696 4.907 . 0 0 "[ . 1 . 2]" 1 2 1 3 LYS HA 1 4 ASP H 1.800 . 2.900 2.236 2.112 2.448 . 0 0 "[ . 1 . 2]" 1 3 1 3 LYS QB 1 28 PRO QB 1.800 . 5.000 2.120 1.787 3.370 0.013 6 0 "[ . 1 . 2]" 1 4 1 3 LYS QB 1 29 VAL H 1.800 . 5.000 3.548 2.942 4.205 . 0 0 "[ . 1 . 2]" 1 5 1 3 LYS QB 1 30 GLU HA 1.800 . 5.000 3.639 2.971 4.866 . 0 0 "[ . 1 . 2]" 1 6 1 3 LYS QD 1 30 GLU HA 1.800 . 5.000 3.793 2.333 4.996 . 0 0 "[ . 1 . 2]" 1 7 1 3 LYS QD 1 30 GLU HG3 1.800 . 5.000 3.702 2.312 5.017 0.017 7 0 "[ . 1 . 2]" 1 8 1 3 LYS QD 1 30 GLU HG2 1.800 . 5.000 3.782 2.703 5.006 0.006 9 0 "[ . 1 . 2]" 1 9 1 3 LYS QD 1 30 GLU H 1.800 . 5.000 3.587 2.296 4.817 . 0 0 "[ . 1 . 2]" 1 10 1 3 LYS QE 1 30 GLU HG3 1.800 . 5.000 3.084 1.827 4.897 . 0 0 "[ . 1 . 2]" 1 11 1 3 LYS QE 1 30 GLU HG2 1.800 . 5.000 3.078 1.794 4.585 0.006 12 0 "[ . 1 . 2]" 1 12 1 3 LYS QE 1 30 GLU H 1.800 . 5.000 4.241 3.334 5.007 0.007 18 0 "[ . 1 . 2]" 1 13 1 3 LYS QG 1 30 GLU HA 1.800 . 5.000 2.743 1.796 4.192 0.004 11 0 "[ . 1 . 2]" 1 14 1 3 LYS QG 1 30 GLU HG3 1.800 . 5.000 3.455 1.903 5.006 0.006 16 0 "[ . 1 . 2]" 1 15 1 3 LYS QG 1 30 GLU HG2 1.800 . 5.000 3.237 1.793 5.004 0.007 6 0 "[ . 1 . 2]" 1 16 1 4 ASP HA 1 28 PRO QB 1.800 . 5.000 3.427 3.060 4.022 . 0 0 "[ . 1 . 2]" 1 17 1 4 ASP HA 1 5 ILE H 1.800 . 2.900 2.355 2.181 2.655 . 0 0 "[ . 1 . 2]" 1 18 1 4 ASP QB 1 31 ILE MD 1.800 . 5.000 4.368 2.934 5.009 0.009 10 0 "[ . 1 . 2]" 1 19 1 4 ASP QB 1 31 ILE MG 1.800 . 5.000 3.200 2.160 4.969 . 0 0 "[ . 1 . 2]" 1 20 1 4 ASP H 1 29 VAL QG 1.800 . 5.000 3.915 3.395 4.453 . 0 0 "[ . 1 . 2]" 1 21 1 4 ASP H 1 29 VAL H 1.800 . 4.000 3.186 2.687 3.841 . 0 0 "[ . 1 . 2]" 1 22 1 4 ASP H 1 30 GLU HA 1.800 . 4.000 3.641 3.157 4.008 0.008 12 0 "[ . 1 . 2]" 1 23 1 4 ASP H 1 31 ILE MG 1.800 . 5.000 3.787 2.414 5.010 0.010 1 0 "[ . 1 . 2]" 1 24 1 4 ASP H 1 5 ILE H 1.800 . 5.000 4.423 4.345 4.501 . 0 0 "[ . 1 . 2]" 1 25 1 5 ILE HA 1 28 PRO HA 1.800 . 3.000 2.570 2.158 2.826 . 0 0 "[ . 1 . 2]" 1 26 1 5 ILE HA 1 29 VAL H 1.800 . 4.000 3.050 2.397 3.266 . 0 0 "[ . 1 . 2]" 1 27 1 5 ILE HA 1 6 PHE H 1.800 . 2.900 2.144 2.103 2.206 . 0 0 "[ . 1 . 2]" 1 28 1 5 ILE HB 1 6 PHE H 1.800 . 5.000 4.371 4.224 4.456 . 0 0 "[ . 1 . 2]" 1 29 1 5 ILE MD 1 25 SER HA 1.800 . 5.000 4.988 4.779 5.009 0.009 1 0 "[ . 1 . 2]" 1 30 1 5 ILE MD 1 27 LYS HA 1.800 . 5.000 3.409 2.963 3.799 . 0 0 "[ . 1 . 2]" 1 31 1 5 ILE MD 1 27 LYS H 1.800 . 5.000 3.864 3.360 4.312 . 0 0 "[ . 1 . 2]" 1 32 1 5 ILE MD 1 28 PRO HA 1.800 . 5.000 2.028 1.806 3.452 . 0 0 "[ . 1 . 2]" 1 33 1 5 ILE MD 1 28 PRO HD3 1.800 . 5.000 2.822 2.450 3.128 . 0 0 "[ . 1 . 2]" 1 34 1 5 ILE MD 1 28 PRO HD2 1.800 . 5.000 4.012 3.772 4.302 . 0 0 "[ . 1 . 2]" 1 35 1 5 ILE MD 1 28 PRO HG3 1.800 . 5.000 3.100 2.298 4.184 . 0 0 "[ . 1 . 2]" 1 36 1 5 ILE MD 1 28 PRO HG2 1.800 . 5.000 4.195 3.791 4.707 . 0 0 "[ . 1 . 2]" 1 37 1 5 ILE MD 1 29 VAL H 1.800 . 5.000 3.666 3.408 5.015 0.015 4 0 "[ . 1 . 2]" 1 38 1 5 ILE MD 1 6 PHE H 1.800 . 5.000 3.687 3.398 4.710 . 0 0 "[ . 1 . 2]" 1 39 1 5 ILE QG 1 28 PRO QB 1.800 . 5.000 3.602 2.774 4.133 . 0 0 "[ . 1 . 2]" 1 40 1 5 ILE MG 1 24 LYS HA 1.800 . 5.000 3.676 3.337 4.167 . 0 0 "[ . 1 . 2]" 1 41 1 5 ILE MG 1 24 LYS QB 1.800 . 5.000 2.591 2.203 3.109 . 0 0 "[ . 1 . 2]" 1 42 1 5 ILE MG 1 25 SER HA 1.800 . 5.000 4.307 3.874 4.836 . 0 0 "[ . 1 . 2]" 1 43 1 5 ILE MG 1 25 SER H 1.800 . 5.000 2.315 1.948 2.776 . 0 0 "[ . 1 . 2]" 1 44 1 5 ILE MG 1 29 VAL H 1.800 . 5.000 4.938 4.408 5.008 0.008 5 0 "[ . 1 . 2]" 1 45 1 5 ILE MG 1 6 PHE H 1.800 . 5.000 3.011 2.668 3.281 . 0 0 "[ . 1 . 2]" 1 46 1 5 ILE H 1 29 VAL QG 1.800 . 5.000 4.906 4.626 5.020 0.020 6 0 "[ . 1 . 2]" 1 47 1 6 PHE HA 1 7 THR H 1.800 . 2.900 2.148 2.107 2.225 . 0 0 "[ . 1 . 2]" 1 48 1 6 PHE QB 1 25 SER QB 1.800 . 5.000 2.656 1.798 3.227 0.002 1 0 "[ . 1 . 2]" 1 49 1 6 PHE QB 1 25 SER H 1.800 . 5.000 3.946 3.352 4.510 . 0 0 "[ . 1 . 2]" 1 50 1 6 PHE QB 1 29 VAL MG1 1.800 . 5.000 2.949 1.873 3.650 . 0 0 "[ . 1 . 2]" 1 51 1 6 PHE QB 1 29 VAL MG2 1.800 . 5.000 2.193 1.785 3.823 0.015 12 0 "[ . 1 . 2]" 1 52 1 6 PHE QB 1 67 ILE MD 1.800 . 5.000 3.538 3.139 4.125 . 0 0 "[ . 1 . 2]" 1 53 1 6 PHE QD 1 25 SER H 1.800 . 5.000 4.578 3.538 5.003 0.003 7 0 "[ . 1 . 2]" 1 54 1 6 PHE QD 1 34 TRP HA 1.800 . 5.000 3.168 1.802 4.394 . 0 0 "[ . 1 . 2]" 1 55 1 6 PHE QD 1 67 ILE MD 1.800 . 5.000 2.733 2.050 3.328 . 0 0 "[ . 1 . 2]" 1 56 1 6 PHE QE 1 23 VAL QG 1.800 . 5.000 3.424 2.415 4.066 . 0 0 "[ . 1 . 2]" 1 57 1 6 PHE QE 1 34 TRP HA 1.800 . 5.000 3.125 2.145 4.603 . 0 0 "[ . 1 . 2]" 1 58 1 6 PHE QE 1 37 PHE QB 1.800 . 5.000 2.757 2.400 3.135 . 0 0 "[ . 1 . 2]" 1 59 1 6 PHE QE 1 38 SER H 1.800 . 5.000 3.744 2.696 4.732 . 0 0 "[ . 1 . 2]" 1 60 1 6 PHE QE 1 41 LEU MD1 1.800 . 5.000 2.048 1.799 3.494 0.001 8 0 "[ . 1 . 2]" 1 61 1 6 PHE QE 1 41 LEU QD 1.800 . 5.000 1.937 1.797 2.878 0.003 10 0 "[ . 1 . 2]" 1 62 1 6 PHE QE 1 67 ILE MG 1.800 . 5.000 3.942 2.433 4.919 . 0 0 "[ . 1 . 2]" 1 63 1 6 PHE QE 1 8 SER QB 1.800 . 5.000 3.056 2.563 3.749 . 0 0 "[ . 1 . 2]" 1 64 1 6 PHE H 1 25 SER QB 1.800 . 5.000 2.760 2.334 3.313 . 0 0 "[ . 1 . 2]" 1 65 1 6 PHE H 1 25 SER H 1.800 . 4.000 3.862 3.479 4.008 0.008 4 0 "[ . 1 . 2]" 1 66 1 6 PHE H 1 28 PRO HA 1.800 . 4.000 3.991 3.818 4.012 0.012 3 0 "[ . 1 . 2]" 1 67 1 6 PHE H 1 29 VAL HB 1.800 . 5.000 4.218 3.189 5.017 0.017 3 0 "[ . 1 . 2]" 1 68 1 6 PHE H 1 29 VAL QG 1.800 . 5.000 2.156 2.004 2.400 . 0 0 "[ . 1 . 2]" 1 69 1 6 PHE H 1 29 VAL MG2 1.800 . 5.000 2.579 2.013 5.003 0.003 5 0 "[ . 1 . 2]" 1 70 1 7 THR HA 1 24 LYS HA 1.800 . 3.000 2.154 2.020 2.331 . 0 0 "[ . 1 . 2]" 1 71 1 7 THR HA 1 25 SER H 1.800 . 4.000 3.969 3.815 4.022 0.022 5 0 "[ . 1 . 2]" 1 72 1 7 THR HA 1 8 SER H 1.800 . 2.900 2.188 2.142 2.247 . 0 0 "[ . 1 . 2]" 1 73 1 7 THR HB 1 8 SER H 1.800 . 5.000 3.935 3.088 4.215 . 0 0 "[ . 1 . 2]" 1 74 1 7 THR MG 1 24 LYS HA 1.800 . 5.000 3.330 2.429 4.497 . 0 0 "[ . 1 . 2]" 1 75 1 7 THR MG 1 24 LYS QB 1.800 . 5.000 2.675 1.799 4.143 0.001 9 0 "[ . 1 . 2]" 1 76 1 7 THR MG 1 25 SER H 1.800 . 5.000 4.511 3.269 5.004 0.004 7 0 "[ . 1 . 2]" 1 77 1 7 THR MG 1 8 SER H 1.800 . 5.000 3.247 2.454 4.073 . 0 0 "[ . 1 . 2]" 1 78 1 8 SER HA 1 9 VAL H 1.800 . 3.500 2.680 2.477 2.896 . 0 0 "[ . 1 . 2]" 1 79 1 8 SER QB 1 23 VAL MG1 1.800 . 5.000 4.845 2.910 5.009 0.009 3 0 "[ . 1 . 2]" 1 80 1 8 SER QB 1 23 VAL MG2 1.800 . 5.000 2.929 2.498 5.000 . 0 0 "[ . 1 . 2]" 1 81 1 8 SER QB 1 41 LEU MD1 1.800 . 5.000 2.801 2.082 5.002 0.002 15 0 "[ . 1 . 2]" 1 82 1 8 SER QB 1 41 LEU MD2 1.800 . 5.000 4.488 2.104 5.004 0.004 5 0 "[ . 1 . 2]" 1 83 1 8 SER H 1 23 VAL MG1 1.800 . 5.000 4.793 2.966 5.006 0.006 5 0 "[ . 1 . 2]" 1 84 1 8 SER H 1 23 VAL QG 1.800 . 5.000 2.676 2.262 2.935 . 0 0 "[ . 1 . 2]" 1 85 1 8 SER H 1 23 VAL H 1.800 . 4.000 3.053 2.793 3.300 . 0 0 "[ . 1 . 2]" 1 86 1 8 SER H 1 24 LYS HA 1.800 . 4.000 3.529 3.320 3.679 . 0 0 "[ . 1 . 2]" 1 87 1 8 SER H 1 41 LEU QD 1.800 . 5.000 4.418 3.938 5.005 0.005 18 0 "[ . 1 . 2]" 1 88 1 9 VAL HA 1 10 VAL H 1.800 . 2.900 2.177 2.127 2.250 . 0 0 "[ . 1 . 2]" 1 89 1 9 VAL HA 1 22 PRO HA 1.800 . 3.000 2.184 1.916 2.564 . 0 0 "[ . 1 . 2]" 1 90 1 9 VAL HA 1 23 VAL MG1 1.800 . 5.000 3.787 2.427 4.218 . 0 0 "[ . 1 . 2]" 1 91 1 9 VAL HA 1 23 VAL MG2 1.800 . 5.000 3.319 2.880 5.006 0.006 19 0 "[ . 1 . 2]" 1 92 1 9 VAL HA 1 23 VAL H 1.800 . 4.000 2.849 2.548 3.235 . 0 0 "[ . 1 . 2]" 1 93 1 9 VAL HB 1 10 VAL H 1.800 . 5.000 3.833 2.783 4.256 . 0 0 "[ . 1 . 2]" 1 94 1 9 VAL QG 1 10 VAL H 1.800 . 5.000 2.853 2.387 3.578 . 0 0 "[ . 1 . 2]" 1 95 1 9 VAL QG 1 22 PRO HA 1.800 . 5.000 2.458 1.891 3.131 . 0 0 "[ . 1 . 2]" 1 96 1 9 VAL QG 1 22 PRO QB 1.800 . 5.000 2.914 2.273 3.832 . 0 0 "[ . 1 . 2]" 1 97 1 9 VAL QG 1 22 PRO QG 1.800 . 5.000 3.719 2.285 4.595 . 0 0 "[ . 1 . 2]" 1 98 1 9 VAL H 1 10 VAL H 1.800 . 5.000 4.341 4.238 4.429 . 0 0 "[ . 1 . 2]" 1 99 1 9 VAL H 1 23 VAL QG 1.800 . 5.000 3.977 3.448 4.499 . 0 0 "[ . 1 . 2]" 1 100 1 9 VAL H 1 41 LEU QD 1.800 . 5.000 4.352 3.340 5.008 0.008 12 0 "[ . 1 . 2]" 1 101 1 10 VAL HA 1 11 ARG H 1.800 . 2.900 2.330 2.269 2.484 . 0 0 "[ . 1 . 2]" 1 102 1 10 VAL HA 1 23 VAL QG 1.800 . 5.000 4.235 3.717 4.852 . 0 0 "[ . 1 . 2]" 1 103 1 10 VAL HB 1 11 ARG H 1.800 . 5.000 3.741 2.168 4.073 . 0 0 "[ . 1 . 2]" 1 104 1 10 VAL HB 1 23 VAL QG 1.800 . 5.000 2.911 2.254 4.358 . 0 0 "[ . 1 . 2]" 1 105 1 10 VAL HB 1 41 LEU QB 1.800 . 5.000 3.362 2.412 4.363 . 0 0 "[ . 1 . 2]" 1 106 1 10 VAL HB 1 41 LEU MD1 1.800 . 5.000 3.400 2.002 5.005 0.005 8 0 "[ . 1 . 2]" 1 107 1 10 VAL HB 1 41 LEU MD2 1.800 . 5.000 3.115 2.148 4.686 . 0 0 "[ . 1 . 2]" 1 108 1 10 VAL MG1 1 23 VAL QG 1.800 . 5.000 2.090 1.911 2.759 . 0 0 "[ . 1 . 2]" 1 109 1 10 VAL MG1 1 41 LEU QB 1.800 . 5.000 4.106 1.799 5.010 0.010 15 0 "[ . 1 . 2]" 1 110 1 10 VAL MG2 1 23 VAL QG 1.800 . 5.000 3.305 2.002 3.785 . 0 0 "[ . 1 . 2]" 1 111 1 10 VAL MG2 1 41 LEU QB 1.800 . 5.000 2.903 1.971 4.483 . 0 0 "[ . 1 . 2]" 1 112 1 10 VAL QG 1 11 ARG H 1.800 . 5.000 2.194 1.882 3.190 . 0 0 "[ . 1 . 2]" 1 113 1 10 VAL QG 1 21 VAL HA 1.800 . 5.000 4.737 4.581 4.881 . 0 0 "[ . 1 . 2]" 1 114 1 10 VAL QG 1 21 VAL QG 1.800 . 5.000 2.000 1.892 2.152 . 0 0 "[ . 1 . 2]" 1 115 1 10 VAL QG 1 21 VAL H 1.800 . 5.000 3.103 2.927 3.370 . 0 0 "[ . 1 . 2]" 1 116 1 10 VAL QG 1 23 VAL HB 1.800 . 5.000 4.151 2.488 4.398 . 0 0 "[ . 1 . 2]" 1 117 1 10 VAL QG 1 23 VAL H 1.800 . 5.000 4.116 3.559 4.414 . 0 0 "[ . 1 . 2]" 1 118 1 10 VAL QG 1 41 LEU HA 1.800 . 5.000 3.300 2.477 3.846 . 0 0 "[ . 1 . 2]" 1 119 1 10 VAL QG 1 41 LEU QB 1.800 . 5.000 2.557 1.794 3.555 0.006 12 0 "[ . 1 . 2]" 1 120 1 10 VAL QG 1 42 SER HA 1.800 . 5.000 4.330 3.487 5.004 0.004 18 0 "[ . 1 . 2]" 1 121 1 10 VAL QG 1 44 LEU QB 1.800 . 5.000 2.980 1.793 4.165 0.007 11 0 "[ . 1 . 2]" 1 122 1 10 VAL QG 1 45 TYR HA 1.800 . 5.000 3.656 2.984 4.848 . 0 0 "[ . 1 . 2]" 1 123 1 10 VAL H 1 20 VAL HB 1.800 . 5.000 4.291 3.730 4.911 . 0 0 "[ . 1 . 2]" 1 124 1 10 VAL H 1 21 VAL QG 1.800 . 5.000 3.177 2.890 3.334 . 0 0 "[ . 1 . 2]" 1 125 1 10 VAL H 1 21 VAL H 1.800 . 4.000 3.038 2.844 3.369 . 0 0 "[ . 1 . 2]" 1 126 1 10 VAL H 1 22 PRO HA 1.800 . 4.000 3.673 3.379 3.958 . 0 0 "[ . 1 . 2]" 1 127 1 10 VAL H 1 23 VAL MG1 1.800 . 5.000 3.232 3.022 3.632 . 0 0 "[ . 1 . 2]" 1 128 1 10 VAL H 1 23 VAL MG2 1.800 . 5.000 3.511 3.204 4.854 . 0 0 "[ . 1 . 2]" 1 129 1 11 ARG HA 1 12 VAL H 1.800 . 2.900 2.142 2.073 2.228 . 0 0 "[ . 1 . 2]" 1 130 1 11 ARG HA 1 20 VAL HA 1.800 . 3.000 2.570 2.219 3.001 0.001 13 0 "[ . 1 . 2]" 1 131 1 11 ARG HA 1 20 VAL QG 1.800 . 5.000 2.260 1.796 3.073 0.004 1 0 "[ . 1 . 2]" 1 132 1 11 ARG HA 1 21 VAL H 1.800 . 4.000 3.882 3.646 4.006 0.006 18 0 "[ . 1 . 2]" 1 133 1 11 ARG QB 1 45 TYR HA 1.800 . 5.000 3.757 2.545 4.682 . 0 0 "[ . 1 . 2]" 1 134 1 11 ARG QB 1 45 TYR QB 1.800 . 5.000 4.442 3.779 5.005 0.005 18 0 "[ . 1 . 2]" 1 135 1 11 ARG QB 1 45 TYR QD 1.800 . 5.000 2.969 2.140 3.761 . 0 0 "[ . 1 . 2]" 1 136 1 11 ARG HD3 1 20 VAL QG 1.800 . 5.000 3.832 1.858 5.007 0.007 3 0 "[ . 1 . 2]" 1 137 1 11 ARG HD3 1 45 TYR QE 1.800 . 5.000 3.749 2.310 5.005 0.005 19 0 "[ . 1 . 2]" 1 138 1 11 ARG HD2 1 20 VAL QG 1.800 . 5.000 4.170 1.873 5.011 0.011 14 0 "[ . 1 . 2]" 1 139 1 11 ARG HD2 1 45 TYR QE 1.800 . 5.000 3.682 1.860 5.003 0.003 15 0 "[ . 1 . 2]" 1 140 1 11 ARG QG 1 12 VAL H 1.800 . 5.000 4.045 2.944 4.777 . 0 0 "[ . 1 . 2]" 1 141 1 11 ARG QG 1 20 VAL QG 1.800 . 5.000 2.741 2.032 3.951 . 0 0 "[ . 1 . 2]" 1 142 1 11 ARG H 1 12 VAL H 1.800 . 5.000 4.479 4.282 4.601 . 0 0 "[ . 1 . 2]" 1 143 1 11 ARG H 1 20 VAL QG 1.800 . 5.000 4.184 3.797 4.640 . 0 0 "[ . 1 . 2]" 1 144 1 12 VAL HA 1 13 ARG H 1.800 . 2.900 2.184 2.124 2.284 . 0 0 "[ . 1 . 2]" 1 145 1 12 VAL HA 1 46 VAL QG 1.800 . 5.000 3.221 2.196 4.890 . 0 0 "[ . 1 . 2]" 1 146 1 12 VAL HA 1 46 VAL H 1.800 . 4.000 3.345 2.583 4.005 0.005 9 0 "[ . 1 . 2]" 1 147 1 12 VAL HB 1 20 VAL HA 1.800 . 5.000 3.794 2.360 4.367 . 0 0 "[ . 1 . 2]" 1 148 1 12 VAL HB 1 20 VAL H 1.800 . 5.000 4.419 3.582 4.939 . 0 0 "[ . 1 . 2]" 1 149 1 12 VAL HB 1 21 VAL QG 1.800 . 5.000 3.737 1.867 4.391 . 0 0 "[ . 1 . 2]" 1 150 1 12 VAL MG1 1 13 ARG H 1.800 . 5.000 2.773 2.194 3.996 . 0 0 "[ . 1 . 2]" 1 151 1 12 VAL MG1 1 19 ASN HA 1.800 . 5.000 4.104 2.657 4.997 . 0 0 "[ . 1 . 2]" 1 152 1 12 VAL MG1 1 20 VAL HA 1.800 . 5.000 4.359 2.170 5.008 0.008 18 0 "[ . 1 . 2]" 1 153 1 12 VAL MG1 1 21 VAL HB 1.800 . 5.000 3.752 2.406 5.023 0.023 5 0 "[ . 1 . 2]" 1 154 1 12 VAL MG1 1 21 VAL H 1.800 . 5.000 4.698 3.163 5.013 0.013 6 0 "[ . 1 . 2]" 1 155 1 12 VAL MG1 1 47 GLY QA 1.800 . 5.000 2.927 1.796 5.011 0.011 14 0 "[ . 1 . 2]" 1 156 1 12 VAL MG1 1 73 LEU HG 1.800 . 5.000 4.464 2.806 5.013 0.013 16 0 "[ . 1 . 2]" 1 157 1 12 VAL MG2 1 13 ARG H 1.800 . 5.000 3.768 2.248 4.233 . 0 0 "[ . 1 . 2]" 1 158 1 12 VAL MG2 1 19 ASN HA 1.800 . 5.000 4.322 3.434 5.014 0.014 10 0 "[ . 1 . 2]" 1 159 1 12 VAL MG2 1 20 VAL HA 1.800 . 5.000 2.739 2.028 5.001 0.001 14 0 "[ . 1 . 2]" 1 160 1 12 VAL MG2 1 20 VAL H 1.800 . 5.000 3.979 3.177 5.023 0.023 10 0 "[ . 1 . 2]" 1 161 1 12 VAL MG2 1 21 VAL H 1.800 . 5.000 2.916 2.306 5.005 0.005 14 0 "[ . 1 . 2]" 1 162 1 12 VAL MG2 1 47 GLY QA 1.800 . 5.000 4.161 1.798 5.020 0.020 5 0 "[ . 1 . 2]" 1 163 1 12 VAL MG2 1 73 LEU HG 1.800 . 5.000 4.355 3.240 5.008 0.008 20 0 "[ . 1 . 2]" 1 164 1 12 VAL QG 1 19 ASN QB 1.800 . 5.000 4.479 4.002 5.008 0.008 1 0 "[ . 1 . 2]" 1 165 1 12 VAL QG 1 19 ASN H 1.800 . 5.000 4.368 3.234 5.006 0.006 17 0 "[ . 1 . 2]" 1 166 1 12 VAL QG 1 20 VAL H 1.800 . 5.000 3.420 2.374 4.010 . 0 0 "[ . 1 . 2]" 1 167 1 12 VAL QG 1 21 VAL HA 1.800 . 5.000 3.803 3.521 4.229 . 0 0 "[ . 1 . 2]" 1 168 1 12 VAL QG 1 21 VAL HB 1.800 . 5.000 2.342 1.807 3.670 . 0 0 "[ . 1 . 2]" 1 169 1 12 VAL QG 1 46 VAL H 1.800 . 5.000 4.077 3.457 4.759 . 0 0 "[ . 1 . 2]" 1 170 1 12 VAL QG 1 47 GLY H 1.800 . 5.000 4.305 3.841 4.800 . 0 0 "[ . 1 . 2]" 1 171 1 12 VAL QG 1 48 VAL H 1.800 . 5.000 3.405 2.383 4.469 . 0 0 "[ . 1 . 2]" 1 172 1 12 VAL QG 1 73 LEU QB 1.800 . 5.000 3.955 3.501 4.425 . 0 0 "[ . 1 . 2]" 1 173 1 12 VAL QG 1 73 LEU MD1 1.800 . 5.000 2.838 1.797 3.743 0.003 14 0 "[ . 1 . 2]" 1 174 1 12 VAL QG 1 73 LEU MD2 1.800 . 5.000 2.797 1.853 4.053 . 0 0 "[ . 1 . 2]" 1 175 1 12 VAL H 1 13 ARG H 1.800 . 5.000 4.463 4.238 4.553 . 0 0 "[ . 1 . 2]" 1 176 1 12 VAL H 1 20 VAL HA 1.800 . 4.000 2.533 1.940 2.824 . 0 0 "[ . 1 . 2]" 1 177 1 12 VAL H 1 20 VAL QG 1.800 . 5.000 3.335 2.662 3.881 . 0 0 "[ . 1 . 2]" 1 178 1 13 ARG QB 1 45 TYR QB 1.800 . 5.000 2.929 1.793 4.483 0.007 5 0 "[ . 1 . 2]" 1 179 1 13 ARG QB 1 45 TYR QD 1.800 . 5.000 3.485 1.798 5.008 0.008 7 0 "[ . 1 . 2]" 1 180 1 13 ARG QB 1 46 VAL H 1.800 . 5.000 4.406 3.096 5.005 0.005 2 0 "[ . 1 . 2]" 1 181 1 13 ARG HD3 1 45 TYR QD 1.800 . 5.000 3.867 2.714 5.006 0.006 2 0 "[ . 1 . 2]" 1 182 1 13 ARG HD2 1 45 TYR QD 1.800 . 5.000 4.300 2.214 5.006 0.006 9 0 "[ . 1 . 2]" 1 183 1 13 ARG QG 1 14 GLY H 1.800 . 5.000 3.020 1.795 4.042 0.005 14 0 "[ . 1 . 2]" 1 184 1 13 ARG QG 1 45 TYR QB 1.800 . 5.000 3.523 1.858 4.998 . 0 0 "[ . 1 . 2]" 1 185 1 13 ARG H 1 45 TYR QB 1.800 . 5.000 4.345 3.169 5.000 0.000 10 0 "[ . 1 . 2]" 1 186 1 13 ARG H 1 46 VAL H 1.800 . 4.000 3.841 3.416 4.005 0.005 18 0 "[ . 1 . 2]" 1 187 1 13 ARG H 1 47 GLY HA3 1.800 . 5.000 3.506 2.487 4.148 . 0 0 "[ . 1 . 2]" 1 188 1 13 ARG H 1 47 GLY HA2 1.800 . 5.000 2.791 2.232 4.983 . 0 0 "[ . 1 . 2]" 1 189 1 13 ARG H 1 48 VAL H 1.800 . 5.000 4.669 4.004 5.017 0.017 3 0 "[ . 1 . 2]" 1 190 1 14 GLY H 1 15 SER H 1.800 . 5.000 4.376 3.661 4.563 . 0 0 "[ . 1 . 2]" 1 191 1 14 GLY H 1 16 LYS QD 1.800 . 5.000 4.698 3.660 5.021 0.021 2 0 "[ . 1 . 2]" 1 192 1 16 LYS QB 1 49 PRO HA 1.800 . 5.000 3.881 2.927 5.001 0.001 6 0 "[ . 1 . 2]" 1 193 1 16 LYS QB 1 49 PRO HD3 1.800 . 5.000 3.494 1.967 4.748 . 0 0 "[ . 1 . 2]" 1 194 1 16 LYS QB 1 49 PRO HD2 1.800 . 5.000 4.548 3.435 5.008 0.008 13 0 "[ . 1 . 2]" 1 195 1 16 LYS QB 1 75 LYS HA 1.800 . 5.000 3.545 2.243 5.006 0.006 19 0 "[ . 1 . 2]" 1 196 1 16 LYS QD 1 18 TYR HA 1.800 . 5.000 4.333 3.879 5.023 0.023 16 0 "[ . 1 . 2]" 1 197 1 16 LYS QE 1 18 TYR HA 1.800 . 5.000 4.869 4.358 5.020 0.020 12 0 "[ . 1 . 2]" 1 198 1 16 LYS QG 1 17 LYS H 1.800 . 5.000 3.923 2.562 4.490 . 0 0 "[ . 1 . 2]" 1 199 1 16 LYS QG 1 49 PRO HD3 1.800 . 5.000 3.545 2.896 4.105 . 0 0 "[ . 1 . 2]" 1 200 1 16 LYS QG 1 49 PRO HD2 1.800 . 5.000 4.772 4.034 5.010 0.010 11 0 "[ . 1 . 2]" 1 201 1 16 LYS QG 1 73 LEU MD1 1.800 . 5.000 4.224 3.037 5.012 0.012 3 0 "[ . 1 . 2]" 1 202 1 16 LYS QG 1 73 LEU MD2 1.800 . 5.000 3.828 2.029 5.005 0.005 3 0 "[ . 1 . 2]" 1 203 1 16 LYS H 1 17 LYS H 1.800 . 5.000 4.182 2.330 4.589 . 0 0 "[ . 1 . 2]" 1 204 1 17 LYS QG 1 18 TYR H 1.800 . 5.000 3.987 2.175 4.557 . 0 0 "[ . 1 . 2]" 1 205 1 17 LYS H 1 18 TYR H 1.800 . 5.000 2.866 1.993 3.976 . 0 0 "[ . 1 . 2]" 1 206 1 18 TYR QE 1 71 LYS QE 1.800 . 5.000 3.086 2.376 4.961 . 0 0 "[ . 1 . 2]" 1 207 1 18 TYR QE 1 74 PRO QD 1.800 . 5.000 2.575 1.798 4.971 0.002 15 0 "[ . 1 . 2]" 1 208 1 19 ASN HA 1 20 VAL H 1.800 . 3.500 3.379 3.133 3.523 0.023 16 0 "[ . 1 . 2]" 1 209 1 19 ASN H 1 20 VAL H 1.800 . 5.000 2.201 1.791 2.826 0.009 15 0 "[ . 1 . 2]" 1 210 1 20 VAL HA 1 21 VAL H 1.800 . 2.900 2.252 2.160 2.414 . 0 0 "[ . 1 . 2]" 1 211 1 20 VAL HB 1 21 VAL H 1.800 . 5.000 2.875 2.396 3.337 . 0 0 "[ . 1 . 2]" 1 212 1 20 VAL QG 1 21 VAL H 1.800 . 5.000 3.364 3.165 3.510 . 0 0 "[ . 1 . 2]" 1 213 1 20 VAL H 1 21 VAL H 1.800 . 5.000 4.347 4.168 4.466 . 0 0 "[ . 1 . 2]" 1 214 1 21 VAL HA 1 22 PRO HD3 1.800 . 4.000 2.211 1.798 2.444 0.002 12 0 "[ . 1 . 2]" 1 215 1 21 VAL HA 1 22 PRO HD2 1.800 . 4.000 2.246 1.951 2.658 . 0 0 "[ . 1 . 2]" 1 216 1 21 VAL HA 1 73 LEU QD 1.800 . 5.000 3.651 2.858 4.556 . 0 0 "[ . 1 . 2]" 1 217 1 21 VAL HB 1 73 LEU MD1 1.800 . 5.000 2.645 1.800 3.825 . 0 0 "[ . 1 . 2]" 1 218 1 21 VAL HB 1 73 LEU MD2 1.800 . 5.000 2.915 2.013 4.282 . 0 0 "[ . 1 . 2]" 1 219 1 21 VAL HB 1 73 LEU HG 1.800 . 5.000 4.079 3.168 4.716 . 0 0 "[ . 1 . 2]" 1 220 1 21 VAL MG1 1 23 VAL QG 1.800 . 5.000 2.572 2.004 4.814 . 0 0 "[ . 1 . 2]" 1 221 1 21 VAL MG1 1 73 LEU MD1 1.800 . 5.000 3.165 1.852 4.234 . 0 0 "[ . 1 . 2]" 1 222 1 21 VAL MG1 1 73 LEU MD2 1.800 . 5.000 3.493 2.037 4.490 . 0 0 "[ . 1 . 2]" 1 223 1 21 VAL MG2 1 23 VAL QG 1.800 . 5.000 3.334 2.668 4.874 . 0 0 "[ . 1 . 2]" 1 224 1 21 VAL QG 1 69 CYS QB 1.800 . 5.000 2.403 1.793 3.190 0.007 8 0 "[ . 1 . 2]" 1 225 1 21 VAL QG 1 70 THR H 1.800 . 5.000 3.710 2.976 4.880 . 0 0 "[ . 1 . 2]" 1 226 1 21 VAL QG 1 71 LYS QB 1.800 . 5.000 1.946 1.786 2.754 0.014 8 0 "[ . 1 . 2]" 1 227 1 21 VAL QG 1 71 LYS QG 1.800 . 5.000 3.045 2.266 3.679 . 0 0 "[ . 1 . 2]" 1 228 1 21 VAL QG 1 71 LYS H 1.800 . 5.000 3.063 2.586 4.269 . 0 0 "[ . 1 . 2]" 1 229 1 21 VAL QG 1 73 LEU MD1 1.800 . 5.000 2.208 1.800 2.869 . 0 0 "[ . 1 . 2]" 1 230 1 21 VAL QG 1 73 LEU MD2 1.800 . 5.000 2.431 1.903 3.401 . 0 0 "[ . 1 . 2]" 1 231 1 21 VAL QG 1 73 LEU HG 1.800 . 5.000 3.215 2.465 4.662 . 0 0 "[ . 1 . 2]" 1 232 1 22 PRO HA 1 23 VAL H 1.800 . 2.900 2.133 2.109 2.181 . 0 0 "[ . 1 . 2]" 1 233 1 22 PRO QB 1 70 THR MG 1.800 . 5.000 3.149 2.580 3.780 . 0 0 "[ . 1 . 2]" 1 234 1 22 PRO HD3 1 71 LYS QB 1.800 . 5.000 3.569 3.033 4.677 . 0 0 "[ . 1 . 2]" 1 235 1 22 PRO HD3 1 71 LYS QD 1.800 . 5.000 3.277 2.173 4.907 . 0 0 "[ . 1 . 2]" 1 236 1 22 PRO HD2 1 71 LYS QB 1.800 . 5.000 2.195 1.790 3.156 0.010 14 0 "[ . 1 . 2]" 1 237 1 22 PRO HD2 1 71 LYS QD 1.800 . 5.000 2.788 1.964 4.078 . 0 0 "[ . 1 . 2]" 1 238 1 22 PRO QD 1 70 THR H 1.800 . 5.000 4.741 4.166 5.006 0.006 19 0 "[ . 1 . 2]" 1 239 1 22 PRO QD 1 71 LYS HG3 1.800 . 5.000 3.729 1.839 4.719 . 0 0 "[ . 1 . 2]" 1 240 1 22 PRO QD 1 71 LYS HG2 1.800 . 5.000 3.473 2.473 4.258 . 0 0 "[ . 1 . 2]" 1 241 1 22 PRO HG3 1 70 THR MG 1.800 . 5.000 4.448 3.782 5.006 0.006 14 0 "[ . 1 . 2]" 1 242 1 22 PRO HG3 1 71 LYS QB 1.800 . 5.000 3.510 2.824 4.983 . 0 0 "[ . 1 . 2]" 1 243 1 22 PRO HG2 1 70 THR MG 1.800 . 5.000 3.309 2.703 3.921 . 0 0 "[ . 1 . 2]" 1 244 1 22 PRO HG2 1 71 LYS QB 1.800 . 5.000 2.485 1.904 4.086 . 0 0 "[ . 1 . 2]" 1 245 1 22 PRO QG 1 23 VAL H 1.800 . 5.000 4.687 4.445 4.946 . 0 0 "[ . 1 . 2]" 1 246 1 22 PRO QG 1 71 LYS H 1.800 . 5.000 3.974 3.361 4.982 . 0 0 "[ . 1 . 2]" 1 247 1 23 VAL HA 1 24 LYS H 1.800 . 2.900 2.353 2.215 2.450 . 0 0 "[ . 1 . 2]" 1 248 1 23 VAL HA 1 56 VAL QG 1.800 . 5.000 4.724 4.046 5.005 0.005 2 0 "[ . 1 . 2]" 1 249 1 23 VAL HA 1 67 ILE MG 1.800 . 5.000 4.255 3.842 4.627 . 0 0 "[ . 1 . 2]" 1 250 1 23 VAL HA 1 69 CYS HA 1.800 . 3.000 2.002 1.823 2.234 . 0 0 "[ . 1 . 2]" 1 251 1 23 VAL HA 1 70 THR MG 1.800 . 5.000 3.700 3.095 4.132 . 0 0 "[ . 1 . 2]" 1 252 1 23 VAL HA 1 70 THR H 1.800 . 4.000 3.207 2.854 3.595 . 0 0 "[ . 1 . 2]" 1 253 1 23 VAL HB 1 24 LYS H 1.800 . 5.000 2.605 2.307 4.063 . 0 0 "[ . 1 . 2]" 1 254 1 23 VAL HB 1 41 LEU QD 1.800 . 5.000 3.970 3.534 4.417 . 0 0 "[ . 1 . 2]" 1 255 1 23 VAL HB 1 67 ILE MG 1.800 . 5.000 2.410 2.059 4.265 . 0 0 "[ . 1 . 2]" 1 256 1 23 VAL HB 1 69 CYS HA 1.800 . 5.000 3.562 3.213 4.024 . 0 0 "[ . 1 . 2]" 1 257 1 23 VAL MG1 1 24 LYS H 1.800 . 5.000 3.700 3.578 3.821 . 0 0 "[ . 1 . 2]" 1 258 1 23 VAL MG1 1 69 CYS HA 1.800 . 5.000 2.594 1.919 4.697 . 0 0 "[ . 1 . 2]" 1 259 1 23 VAL MG2 1 69 CYS HA 1.800 . 5.000 4.459 2.591 4.941 . 0 0 "[ . 1 . 2]" 1 260 1 23 VAL MG2 1 69 CYS QB 1.800 . 5.000 4.751 2.634 5.011 0.011 14 0 "[ . 1 . 2]" 1 261 1 23 VAL QG 1 24 LYS H 1.800 . 5.000 3.147 2.180 3.409 . 0 0 "[ . 1 . 2]" 1 262 1 23 VAL QG 1 41 LEU QB 1.800 . 5.000 3.930 3.379 4.607 . 0 0 "[ . 1 . 2]" 1 263 1 23 VAL QG 1 41 LEU MD1 1.800 . 5.000 2.395 1.960 3.260 . 0 0 "[ . 1 . 2]" 1 264 1 23 VAL QG 1 41 LEU MD2 1.800 . 5.000 2.736 1.819 3.201 . 0 0 "[ . 1 . 2]" 1 265 1 23 VAL QG 1 56 VAL QG 1.800 . 5.000 2.511 1.861 2.976 . 0 0 "[ . 1 . 2]" 1 266 1 23 VAL QG 1 67 ILE MD 1.800 . 5.000 3.820 3.564 4.115 . 0 0 "[ . 1 . 2]" 1 267 1 23 VAL QG 1 67 ILE MG 1.800 . 5.000 2.414 1.964 2.801 . 0 0 "[ . 1 . 2]" 1 268 1 23 VAL QG 1 69 CYS QB 1.800 . 5.000 2.347 1.797 2.670 0.003 17 0 "[ . 1 . 2]" 1 269 1 23 VAL H 1 70 THR MG 1.800 . 5.000 4.959 4.543 5.011 0.011 15 0 "[ . 1 . 2]" 1 270 1 24 LYS HA 1 25 SER H 1.800 . 2.900 2.499 2.380 2.590 . 0 0 "[ . 1 . 2]" 1 271 1 24 LYS QD 1 70 THR HA 1.800 . 5.000 4.721 4.177 5.008 0.008 7 0 "[ . 1 . 2]" 1 272 1 24 LYS QD 1 70 THR HB 1.800 . 5.000 2.665 2.107 3.074 . 0 0 "[ . 1 . 2]" 1 273 1 24 LYS QE 1 68 ILE MD 1.800 . 5.000 3.750 2.427 4.867 . 0 0 "[ . 1 . 2]" 1 274 1 24 LYS QE 1 70 THR MG 1.800 . 5.000 3.428 1.802 4.790 . 0 0 "[ . 1 . 2]" 1 275 1 24 LYS QG 1 25 SER H 1.800 . 5.000 3.467 3.047 4.005 . 0 0 "[ . 1 . 2]" 1 276 1 24 LYS QG 1 69 CYS HA 1.800 . 5.000 3.860 3.420 4.266 . 0 0 "[ . 1 . 2]" 1 277 1 24 LYS H 1 67 ILE MD 1.800 . 5.000 4.736 4.440 5.003 0.003 1 0 "[ . 1 . 2]" 1 278 1 24 LYS H 1 67 ILE MG 1.800 . 5.000 3.416 3.090 3.794 . 0 0 "[ . 1 . 2]" 1 279 1 24 LYS H 1 68 ILE QG 1.800 . 5.000 3.263 3.061 3.580 . 0 0 "[ . 1 . 2]" 1 280 1 24 LYS H 1 68 ILE H 1.800 . 4.000 3.158 2.878 3.557 . 0 0 "[ . 1 . 2]" 1 281 1 24 LYS H 1 69 CYS HA 1.800 . 4.000 3.311 2.945 3.471 . 0 0 "[ . 1 . 2]" 1 282 1 24 LYS H 1 70 THR MG 1.800 . 5.000 4.454 3.923 4.858 . 0 0 "[ . 1 . 2]" 1 283 1 25 SER HA 1 29 VAL QG 1.800 . 5.000 4.636 4.260 5.007 0.007 13 0 "[ . 1 . 2]" 1 284 1 25 SER HA 1 65 VAL MG1 1.800 . 5.000 3.184 2.729 5.005 0.005 11 0 "[ . 1 . 2]" 1 285 1 25 SER HA 1 65 VAL MG2 1.800 . 5.000 4.871 3.513 5.021 0.021 12 0 "[ . 1 . 2]" 1 286 1 25 SER HA 1 67 ILE HA 1.800 . 3.000 2.751 2.539 2.980 . 0 0 "[ . 1 . 2]" 1 287 1 25 SER HA 1 67 ILE MD 1.800 . 5.000 2.606 2.444 2.777 . 0 0 "[ . 1 . 2]" 1 288 1 25 SER HA 1 67 ILE MG 1.800 . 5.000 3.994 3.511 4.253 . 0 0 "[ . 1 . 2]" 1 289 1 25 SER HA 1 68 ILE H 1.800 . 4.000 3.326 3.027 3.627 . 0 0 "[ . 1 . 2]" 1 290 1 25 SER QB 1 29 VAL MG1 1.800 . 5.000 3.700 2.534 4.765 . 0 0 "[ . 1 . 2]" 1 291 1 25 SER QB 1 29 VAL MG2 1.800 . 5.000 3.038 2.269 4.459 . 0 0 "[ . 1 . 2]" 1 292 1 25 SER QB 1 65 VAL MG1 1.800 . 5.000 2.266 1.796 3.940 0.004 19 0 "[ . 1 . 2]" 1 293 1 25 SER QB 1 65 VAL MG2 1.800 . 5.000 3.320 2.491 4.301 . 0 0 "[ . 1 . 2]" 1 294 1 25 SER QB 1 67 ILE MD 1.800 . 5.000 2.849 2.241 3.361 . 0 0 "[ . 1 . 2]" 1 295 1 25 SER H 1 67 ILE MD 1.800 . 5.000 4.324 4.138 4.556 . 0 0 "[ . 1 . 2]" 1 296 1 26 ASN HA 1 68 ILE MD 1.800 . 5.000 3.185 2.411 3.997 . 0 0 "[ . 1 . 2]" 1 297 1 26 ASN QB 1 68 ILE MD 1.800 . 5.000 2.610 2.018 3.486 . 0 0 "[ . 1 . 2]" 1 298 1 26 ASN QB 1 68 ILE MG 1.800 . 5.000 3.266 2.863 3.745 . 0 0 "[ . 1 . 2]" 1 299 1 26 ASN HD21 1 65 VAL HA 1.800 . 5.000 4.647 3.396 5.013 0.013 3 0 "[ . 1 . 2]" 1 300 1 26 ASN HD21 1 66 ASP H 1.800 . 5.000 3.472 2.604 4.180 . 0 0 "[ . 1 . 2]" 1 301 1 26 ASN HD22 1 65 VAL HA 1.800 . 5.000 3.865 3.311 5.019 0.019 19 0 "[ . 1 . 2]" 1 302 1 26 ASN HD22 1 66 ASP H 1.800 . 5.000 2.936 1.860 4.570 . 0 0 "[ . 1 . 2]" 1 303 1 26 ASN QD 1 66 ASP QB 1.800 . 5.000 2.826 1.886 4.600 . 0 0 "[ . 1 . 2]" 1 304 1 26 ASN H 1 27 LYS H 1.800 . 3.500 2.537 2.287 2.853 . 0 0 "[ . 1 . 2]" 1 305 1 26 ASN H 1 65 VAL MG1 1.800 . 5.000 3.082 2.304 5.002 0.002 13 0 "[ . 1 . 2]" 1 306 1 26 ASN H 1 65 VAL MG2 1.800 . 5.000 4.562 3.013 5.018 0.018 11 0 "[ . 1 . 2]" 1 307 1 26 ASN H 1 67 ILE HA 1.800 . 4.000 3.833 3.467 4.011 0.011 2 0 "[ . 1 . 2]" 1 308 1 26 ASN H 1 67 ILE MD 1.800 . 5.000 3.930 3.511 4.360 . 0 0 "[ . 1 . 2]" 1 309 1 26 ASN H 1 68 ILE MD 1.800 . 5.000 3.947 3.423 4.410 . 0 0 "[ . 1 . 2]" 1 310 1 27 LYS HA 1 28 PRO HD3 1.800 . 4.000 2.112 1.854 2.514 . 0 0 "[ . 1 . 2]" 1 311 1 27 LYS HA 1 28 PRO HD2 1.800 . 4.000 2.544 2.078 2.992 . 0 0 "[ . 1 . 2]" 1 312 1 27 LYS QB 1 29 VAL QG 1.800 . 5.000 4.015 3.256 4.848 . 0 0 "[ . 1 . 2]" 1 313 1 27 LYS QB 1 65 VAL MG1 1.800 . 5.000 3.131 1.920 5.001 0.001 13 0 "[ . 1 . 2]" 1 314 1 27 LYS QB 1 65 VAL MG2 1.800 . 5.000 2.011 1.791 4.333 0.009 2 0 "[ . 1 . 2]" 1 315 1 27 LYS QE 1 65 VAL HA 1.800 . 5.000 3.074 1.794 3.853 0.006 11 0 "[ . 1 . 2]" 1 316 1 27 LYS QE 1 65 VAL MG1 1.800 . 5.000 4.292 2.967 5.001 0.001 7 0 "[ . 1 . 2]" 1 317 1 27 LYS QE 1 65 VAL QG 1.800 . 5.000 3.144 1.802 4.289 . 0 0 "[ . 1 . 2]" 1 318 1 27 LYS QE 1 66 ASP H 1.800 . 5.000 3.949 2.649 4.998 . 0 0 "[ . 1 . 2]" 1 319 1 27 LYS H 1 29 VAL QG 1.800 . 5.000 4.321 4.011 5.008 0.008 19 0 "[ . 1 . 2]" 1 320 1 27 LYS H 1 65 VAL QG 1.800 . 5.000 2.398 1.796 3.184 0.004 20 0 "[ . 1 . 2]" 1 321 1 27 LYS H 1 65 VAL MG2 1.800 . 5.000 3.298 2.560 4.783 . 0 0 "[ . 1 . 2]" 1 322 1 27 LYS H 1 67 ILE MD 1.800 . 5.000 4.983 4.806 5.009 0.009 11 0 "[ . 1 . 2]" 1 323 1 29 VAL HB 1 65 VAL QG 1.800 . 5.000 4.137 2.066 5.001 0.001 2 0 "[ . 1 . 2]" 1 324 1 29 VAL MG1 1 30 GLU H 1.800 . 5.000 3.014 1.876 3.793 . 0 0 "[ . 1 . 2]" 1 325 1 29 VAL MG1 1 33 LYS QB 1.800 . 5.000 3.487 1.896 4.979 . 0 0 "[ . 1 . 2]" 1 326 1 29 VAL MG1 1 37 PHE QD 1.800 . 5.000 3.622 2.276 5.004 0.004 18 0 "[ . 1 . 2]" 1 327 1 29 VAL MG1 1 37 PHE QE 1.800 . 5.000 2.818 1.795 3.836 0.005 11 0 "[ . 1 . 2]" 1 328 1 29 VAL MG1 1 37 PHE HZ 1.800 . 5.000 3.293 2.187 4.855 . 0 0 "[ . 1 . 2]" 1 329 1 29 VAL MG2 1 30 GLU H 1.800 . 5.000 3.589 2.005 4.243 . 0 0 "[ . 1 . 2]" 1 330 1 29 VAL MG2 1 33 LYS QB 1.800 . 5.000 4.183 2.602 5.004 0.004 2 0 "[ . 1 . 2]" 1 331 1 29 VAL MG2 1 37 PHE QD 1.800 . 5.000 3.690 3.028 4.394 . 0 0 "[ . 1 . 2]" 1 332 1 29 VAL MG2 1 37 PHE QE 1.800 . 5.000 2.972 1.796 4.194 0.004 13 0 "[ . 1 . 2]" 1 333 1 29 VAL MG2 1 37 PHE HZ 1.800 . 5.000 3.992 2.421 5.001 0.001 12 0 "[ . 1 . 2]" 1 334 1 29 VAL QG 1 33 LYS QE 1.800 . 5.000 4.590 3.312 5.010 0.010 18 0 "[ . 1 . 2]" 1 335 1 29 VAL QG 1 60 ILE MG 1.800 . 5.000 4.334 3.928 4.982 . 0 0 "[ . 1 . 2]" 1 336 1 29 VAL QG 1 67 ILE MD 1.800 . 5.000 3.633 3.208 3.951 . 0 0 "[ . 1 . 2]" 1 337 1 29 VAL H 1 30 GLU H 1.800 . 5.000 4.471 4.410 4.542 . 0 0 "[ . 1 . 2]" 1 338 1 30 GLU QB 1 33 LYS QG 1.800 . 5.000 3.311 1.897 5.001 0.001 18 0 "[ . 1 . 2]" 1 339 1 30 GLU QG 1 31 ILE H 1.800 . 5.000 3.980 2.668 4.605 . 0 0 "[ . 1 . 2]" 1 340 1 31 ILE HA 1 33 LYS H 1.800 . 5.000 3.631 3.147 4.005 . 0 0 "[ . 1 . 2]" 1 341 1 31 ILE MD 1 32 SER H 1.800 . 5.000 4.531 3.281 5.031 0.031 18 0 "[ . 1 . 2]" 1 342 1 31 ILE QG 1 32 SER H 1.800 . 5.000 3.318 2.356 4.113 . 0 0 "[ . 1 . 2]" 1 343 1 31 ILE MG 1 32 SER H 1.800 . 5.000 3.696 2.370 4.352 . 0 0 "[ . 1 . 2]" 1 344 1 32 SER H 1 33 LYS H 1.800 . 3.500 2.460 1.778 3.186 0.022 10 0 "[ . 1 . 2]" 1 345 1 33 LYS HA 1 36 ASP QB 1.800 . 5.000 3.137 2.044 3.855 . 0 0 "[ . 1 . 2]" 1 346 1 33 LYS HA 1 36 ASP H 1.800 . 4.000 3.207 2.506 3.598 . 0 0 "[ . 1 . 2]" 1 347 1 33 LYS HA 1 37 PHE H 1.800 . 5.000 4.402 3.670 5.003 0.003 16 0 "[ . 1 . 2]" 1 348 1 33 LYS QB 1 34 TRP H 1.800 . 4.000 3.406 2.981 3.646 . 0 0 "[ . 1 . 2]" 1 349 1 33 LYS QB 1 36 ASP QB 1.800 . 5.000 3.250 2.350 4.619 . 0 0 "[ . 1 . 2]" 1 350 1 33 LYS QD 1 37 PHE QE 1.800 . 5.000 3.250 1.843 4.587 . 0 0 "[ . 1 . 2]" 1 351 1 33 LYS QE 1 63 THR MG 1.800 . 5.000 3.670 2.045 5.004 0.004 16 0 "[ . 1 . 2]" 1 352 1 33 LYS QG 1 34 TRP H 1.800 . 5.000 4.448 4.102 4.791 . 0 0 "[ . 1 . 2]" 1 353 1 33 LYS H 1 34 TRP H 1.800 . 3.500 2.410 2.136 2.577 . 0 0 "[ . 1 . 2]" 1 354 1 33 LYS H 1 35 ILE H 1.800 . 5.000 4.670 3.996 5.009 0.009 10 0 "[ . 1 . 2]" 1 355 1 34 TRP HA 1 36 ASP H 1.800 . 5.000 4.424 4.124 4.754 . 0 0 "[ . 1 . 2]" 1 356 1 34 TRP HA 1 37 PHE QB 1.800 . 5.000 2.902 2.291 3.474 . 0 0 "[ . 1 . 2]" 1 357 1 34 TRP HA 1 37 PHE QD 1.800 . 5.000 3.612 1.830 4.551 . 0 0 "[ . 1 . 2]" 1 358 1 34 TRP HA 1 37 PHE H 1.800 . 4.000 3.672 3.144 3.993 . 0 0 "[ . 1 . 2]" 1 359 1 34 TRP HA 1 38 SER H 1.800 . 5.000 4.078 3.644 4.563 . 0 0 "[ . 1 . 2]" 1 360 1 34 TRP QB 1 35 ILE H 1.800 . 4.000 2.852 2.333 3.646 . 0 0 "[ . 1 . 2]" 1 361 1 34 TRP H 1 35 ILE H 1.800 . 5.000 2.716 2.552 2.893 . 0 0 "[ . 1 . 2]" 1 362 1 35 ILE HA 1 38 SER QB 1.800 . 5.000 3.232 2.428 4.210 . 0 0 "[ . 1 . 2]" 1 363 1 35 ILE HA 1 38 SER H 1.800 . 4.000 3.652 3.359 3.933 . 0 0 "[ . 1 . 2]" 1 364 1 35 ILE HA 1 39 ASN H 1.800 . 5.000 4.155 3.952 4.377 . 0 0 "[ . 1 . 2]" 1 365 1 35 ILE HB 1 36 ASP H 1.800 . 4.000 3.081 2.319 4.010 0.010 9 0 "[ . 1 . 2]" 1 366 1 35 ILE MD 1 36 ASP H 1.800 . 5.000 4.385 3.745 4.804 . 0 0 "[ . 1 . 2]" 1 367 1 35 ILE QG 1 36 ASP H 1.800 . 5.000 3.601 1.989 4.606 . 0 0 "[ . 1 . 2]" 1 368 1 35 ILE MG 1 36 ASP H 1.800 . 5.000 3.206 1.848 4.107 . 0 0 "[ . 1 . 2]" 1 369 1 35 ILE MG 1 39 ASN QD 1.800 . 5.000 3.409 2.000 5.007 0.007 4 0 "[ . 1 . 2]" 1 370 1 35 ILE H 1 36 ASP H 1.800 . 5.000 2.625 2.410 2.893 . 0 0 "[ . 1 . 2]" 1 371 1 35 ILE H 1 37 PHE H 1.800 . 5.000 4.237 3.972 4.502 . 0 0 "[ . 1 . 2]" 1 372 1 36 ASP HA 1 38 SER H 1.800 . 5.000 4.527 4.318 4.792 . 0 0 "[ . 1 . 2]" 1 373 1 36 ASP HA 1 39 ASN QB 1.800 . 5.000 2.660 2.060 3.218 . 0 0 "[ . 1 . 2]" 1 374 1 36 ASP HA 1 39 ASN HD21 1.800 . 5.000 3.126 1.799 4.589 0.001 10 0 "[ . 1 . 2]" 1 375 1 36 ASP HA 1 39 ASN HD22 1.800 . 5.000 4.307 2.768 5.020 0.020 20 0 "[ . 1 . 2]" 1 376 1 36 ASP HA 1 39 ASN H 1.800 . 4.000 3.526 3.036 3.849 . 0 0 "[ . 1 . 2]" 1 377 1 36 ASP HA 1 40 VAL H 1.800 . 5.000 4.393 3.885 4.595 . 0 0 "[ . 1 . 2]" 1 378 1 36 ASP QB 1 37 PHE H 1.800 . 4.000 2.473 2.211 2.733 . 0 0 "[ . 1 . 2]" 1 379 1 36 ASP H 1 37 PHE H 1.800 . 5.000 2.657 2.391 2.869 . 0 0 "[ . 1 . 2]" 1 380 1 36 ASP H 1 38 SER H 1.800 . 5.000 4.123 3.870 4.511 . 0 0 "[ . 1 . 2]" 1 381 1 37 PHE HA 1 40 VAL HB 1.800 . 5.000 3.012 2.693 3.452 . 0 0 "[ . 1 . 2]" 1 382 1 37 PHE HA 1 40 VAL MG1 1.800 . 5.000 4.323 4.026 4.798 . 0 0 "[ . 1 . 2]" 1 383 1 37 PHE HA 1 40 VAL MG2 1.800 . 5.000 2.890 2.452 3.371 . 0 0 "[ . 1 . 2]" 1 384 1 37 PHE HA 1 40 VAL H 1.800 . 4.000 3.415 3.196 3.616 . 0 0 "[ . 1 . 2]" 1 385 1 37 PHE HA 1 41 LEU H 1.800 . 5.000 4.168 3.954 4.586 . 0 0 "[ . 1 . 2]" 1 386 1 37 PHE HA 1 60 ILE MD 1.800 . 5.000 3.060 2.018 3.897 . 0 0 "[ . 1 . 2]" 1 387 1 37 PHE QB 1 38 SER H 1.800 . 4.000 2.605 2.453 2.751 . 0 0 "[ . 1 . 2]" 1 388 1 37 PHE QB 1 41 LEU QD 1.800 . 5.000 3.278 2.727 4.366 . 0 0 "[ . 1 . 2]" 1 389 1 37 PHE QB 1 60 ILE MD 1.800 . 5.000 3.481 2.356 4.407 . 0 0 "[ . 1 . 2]" 1 390 1 37 PHE QD 1 40 VAL QG 1.800 . 5.000 3.868 2.975 4.651 . 0 0 "[ . 1 . 2]" 1 391 1 37 PHE QD 1 60 ILE MD 1.800 . 5.000 2.800 1.963 3.801 . 0 0 "[ . 1 . 2]" 1 392 1 37 PHE QD 1 60 ILE MG 1.800 . 5.000 3.291 2.770 3.738 . 0 0 "[ . 1 . 2]" 1 393 1 37 PHE QD 1 61 MET ME 1.800 . 5.000 4.443 2.694 5.005 0.005 2 0 "[ . 1 . 2]" 1 394 1 37 PHE QD 1 67 ILE MD 1.800 . 5.000 3.168 2.026 4.131 . 0 0 "[ . 1 . 2]" 1 395 1 37 PHE QE 1 60 ILE MD 1.800 . 5.000 3.505 2.611 4.201 . 0 0 "[ . 1 . 2]" 1 396 1 37 PHE QE 1 60 ILE MG 1.800 . 5.000 2.550 1.868 3.176 . 0 0 "[ . 1 . 2]" 1 397 1 37 PHE QE 1 61 MET QB 1.800 . 5.000 3.182 1.795 4.795 0.005 11 0 "[ . 1 . 2]" 1 398 1 37 PHE QE 1 61 MET ME 1.800 . 5.000 4.443 2.393 5.005 0.005 6 0 "[ . 1 . 2]" 1 399 1 37 PHE QE 1 63 THR MG 1.800 . 5.000 2.914 2.005 3.890 . 0 0 "[ . 1 . 2]" 1 400 1 37 PHE QE 1 65 VAL MG1 1.800 . 5.000 3.389 2.064 4.824 . 0 0 "[ . 1 . 2]" 1 401 1 37 PHE QE 1 65 VAL MG2 1.800 . 5.000 3.814 2.799 4.994 . 0 0 "[ . 1 . 2]" 1 402 1 37 PHE QE 1 67 ILE MD 1.800 . 5.000 3.154 2.130 4.698 . 0 0 "[ . 1 . 2]" 1 403 1 37 PHE H 1 38 SER H 1.800 . 3.500 2.712 2.592 2.825 . 0 0 "[ . 1 . 2]" 1 404 1 37 PHE H 1 39 ASN H 1.800 . 5.000 4.075 3.747 4.304 . 0 0 "[ . 1 . 2]" 1 405 1 37 PHE HZ 1 60 ILE MG 1.800 . 5.000 3.344 2.581 4.256 . 0 0 "[ . 1 . 2]" 1 406 1 37 PHE HZ 1 63 THR MG 1.800 . 5.000 2.115 1.793 3.098 0.007 10 0 "[ . 1 . 2]" 1 407 1 37 PHE HZ 1 65 VAL MG1 1.800 . 5.000 4.208 3.276 5.003 0.003 5 0 "[ . 1 . 2]" 1 408 1 37 PHE HZ 1 65 VAL MG2 1.800 . 5.000 3.791 2.866 5.001 0.001 1 0 "[ . 1 . 2]" 1 409 1 38 SER HA 1 41 LEU QB 1.800 . 5.000 2.552 2.057 3.028 . 0 0 "[ . 1 . 2]" 1 410 1 38 SER HA 1 41 LEU QD 1.800 . 5.000 2.751 2.207 3.587 . 0 0 "[ . 1 . 2]" 1 411 1 38 SER HA 1 41 LEU H 1.800 . 4.000 3.300 3.021 3.659 . 0 0 "[ . 1 . 2]" 1 412 1 38 SER QB 1 39 ASN H 1.800 . 4.000 2.961 2.475 3.582 . 0 0 "[ . 1 . 2]" 1 413 1 38 SER QB 1 41 LEU QD 1.800 . 5.000 4.021 3.226 4.868 . 0 0 "[ . 1 . 2]" 1 414 1 38 SER H 1 39 ASN H 1.800 . 3.500 2.634 2.520 2.751 . 0 0 "[ . 1 . 2]" 1 415 1 39 ASN HA 1 42 SER QB 1.800 . 5.000 3.147 2.665 4.286 . 0 0 "[ . 1 . 2]" 1 416 1 39 ASN HA 1 42 SER H 1.800 . 4.000 3.626 3.296 4.003 0.003 6 0 "[ . 1 . 2]" 1 417 1 39 ASN QB 1 40 VAL H 1.800 . 4.000 2.570 2.248 2.981 . 0 0 "[ . 1 . 2]" 1 418 1 39 ASN H 1 40 VAL H 1.800 . 5.000 2.692 2.512 2.877 . 0 0 "[ . 1 . 2]" 1 419 1 40 VAL HA 1 43 ARG QB 1.800 . 5.000 3.426 2.591 4.997 . 0 0 "[ . 1 . 2]" 1 420 1 40 VAL HA 1 43 ARG H 1.800 . 4.000 3.729 3.525 3.984 . 0 0 "[ . 1 . 2]" 1 421 1 40 VAL HB 1 41 LEU H 1.800 . 4.000 2.552 2.454 2.684 . 0 0 "[ . 1 . 2]" 1 422 1 40 VAL HB 1 60 ILE MD 1.800 . 5.000 2.504 1.911 2.929 . 0 0 "[ . 1 . 2]" 1 423 1 40 VAL MG1 1 41 LEU H 1.800 . 5.000 3.450 3.351 3.595 . 0 0 "[ . 1 . 2]" 1 424 1 40 VAL MG1 1 60 ILE MD 1.800 . 5.000 2.276 1.811 3.201 . 0 0 "[ . 1 . 2]" 1 425 1 40 VAL MG1 1 61 MET HG3 1.800 . 5.000 4.531 3.584 5.011 0.011 17 0 "[ . 1 . 2]" 1 426 1 40 VAL MG1 1 61 MET HG2 1.800 . 5.000 4.206 3.168 5.006 0.006 10 0 "[ . 1 . 2]" 1 427 1 40 VAL MG2 1 41 LEU H 1.800 . 5.000 3.768 3.707 3.862 . 0 0 "[ . 1 . 2]" 1 428 1 40 VAL MG2 1 60 ILE MD 1.800 . 5.000 2.811 2.165 3.875 . 0 0 "[ . 1 . 2]" 1 429 1 40 VAL MG2 1 61 MET HG3 1.800 . 5.000 3.265 2.650 3.839 . 0 0 "[ . 1 . 2]" 1 430 1 40 VAL MG2 1 61 MET HG2 1.800 . 5.000 3.174 2.091 4.666 . 0 0 "[ . 1 . 2]" 1 431 1 40 VAL QG 1 43 ARG QG 1.800 . 5.000 4.309 2.921 5.005 0.005 3 0 "[ . 1 . 2]" 1 432 1 40 VAL QG 1 44 LEU QB 1.800 . 5.000 3.167 2.567 4.228 . 0 0 "[ . 1 . 2]" 1 433 1 40 VAL QG 1 60 ILE HA 1.800 . 5.000 4.611 3.935 5.007 0.007 12 0 "[ . 1 . 2]" 1 434 1 40 VAL QG 1 60 ILE QG 1.800 . 5.000 2.536 1.969 2.872 . 0 0 "[ . 1 . 2]" 1 435 1 40 VAL QG 1 61 MET ME 1.800 . 5.000 2.922 1.831 4.345 . 0 0 "[ . 1 . 2]" 1 436 1 40 VAL H 1 41 LEU H 1.800 . 3.500 2.638 2.478 2.747 . 0 0 "[ . 1 . 2]" 1 437 1 40 VAL H 1 60 ILE MD 1.800 . 5.000 4.555 3.851 5.005 0.005 12 0 "[ . 1 . 2]" 1 438 1 41 LEU HA 1 43 ARG H 1.800 . 5.000 3.665 3.276 3.928 . 0 0 "[ . 1 . 2]" 1 439 1 41 LEU HA 1 44 LEU QB 1.800 . 5.000 2.261 1.941 3.220 . 0 0 "[ . 1 . 2]" 1 440 1 41 LEU HA 1 44 LEU MD1 1.800 . 5.000 4.212 2.267 5.004 0.004 9 0 "[ . 1 . 2]" 1 441 1 41 LEU HA 1 44 LEU MD2 1.800 . 5.000 3.323 2.877 4.835 . 0 0 "[ . 1 . 2]" 1 442 1 41 LEU HA 1 44 LEU HG 1.800 . 5.000 4.386 2.600 4.932 . 0 0 "[ . 1 . 2]" 1 443 1 41 LEU HA 1 44 LEU H 1.800 . 4.000 3.245 2.869 3.514 . 0 0 "[ . 1 . 2]" 1 444 1 41 LEU HA 1 60 ILE MD 1.800 . 5.000 4.710 3.546 5.009 0.009 19 0 "[ . 1 . 2]" 1 445 1 41 LEU QB 1 42 SER H 1.800 . 4.000 2.824 2.530 2.980 . 0 0 "[ . 1 . 2]" 1 446 1 41 LEU MD1 1 42 SER H 1.800 . 5.000 4.774 4.268 4.973 . 0 0 "[ . 1 . 2]" 1 447 1 41 LEU MD1 1 60 ILE MD 1.800 . 5.000 3.996 2.638 4.951 . 0 0 "[ . 1 . 2]" 1 448 1 41 LEU MD2 1 42 SER H 1.800 . 5.000 4.673 4.611 4.725 . 0 0 "[ . 1 . 2]" 1 449 1 41 LEU MD2 1 60 ILE MD 1.800 . 5.000 3.196 2.453 4.762 . 0 0 "[ . 1 . 2]" 1 450 1 41 LEU QD 1 57 CYS QB 1.800 . 5.000 3.954 2.786 4.674 . 0 0 "[ . 1 . 2]" 1 451 1 41 LEU QD 1 60 ILE MG 1.800 . 5.000 4.475 4.025 4.929 . 0 0 "[ . 1 . 2]" 1 452 1 41 LEU QD 1 67 ILE MD 1.800 . 5.000 3.489 2.894 4.368 . 0 0 "[ . 1 . 2]" 1 453 1 41 LEU HG 1 42 SER H 1.800 . 5.000 4.536 4.364 5.021 0.021 17 0 "[ . 1 . 2]" 1 454 1 41 LEU HG 1 60 ILE MD 1.800 . 5.000 3.740 2.841 5.007 0.007 15 0 "[ . 1 . 2]" 1 455 1 41 LEU H 1 42 SER H 1.800 . 3.500 2.654 2.561 2.746 . 0 0 "[ . 1 . 2]" 1 456 1 41 LEU H 1 60 ILE MD 1.800 . 5.000 4.195 3.694 4.611 . 0 0 "[ . 1 . 2]" 1 457 1 42 SER HA 1 44 LEU H 1.800 . 5.000 3.829 3.546 4.478 . 0 0 "[ . 1 . 2]" 1 458 1 42 SER QB 1 43 ARG H 1.800 . 4.000 3.276 3.008 3.852 . 0 0 "[ . 1 . 2]" 1 459 1 42 SER H 1 43 ARG H 1.800 . 3.500 2.556 2.391 2.659 . 0 0 "[ . 1 . 2]" 1 460 1 42 SER H 1 44 LEU H 1.800 . 5.000 3.961 3.646 4.179 . 0 0 "[ . 1 . 2]" 1 461 1 43 ARG QB 1 44 LEU H 1.800 . 4.000 3.467 2.800 3.994 . 0 0 "[ . 1 . 2]" 1 462 1 43 ARG QG 1 44 LEU H 1.800 . 5.000 4.127 3.228 4.501 . 0 0 "[ . 1 . 2]" 1 463 1 43 ARG H 1 44 LEU H 1.800 . 3.500 2.156 1.796 2.485 0.004 14 0 "[ . 1 . 2]" 1 464 1 44 LEU HA 1 45 TYR H 1.800 . 3.500 2.314 2.063 3.519 0.019 19 0 "[ . 1 . 2]" 1 465 1 44 LEU MD1 1 45 TYR H 1.800 . 5.000 3.400 2.208 5.006 0.006 10 0 "[ . 1 . 2]" 1 466 1 44 LEU MD1 1 57 CYS QB 1.800 . 5.000 4.209 3.199 5.010 0.010 5 0 "[ . 1 . 2]" 1 467 1 44 LEU MD2 1 57 CYS QB 1.800 . 5.000 3.467 1.962 5.009 0.009 12 0 "[ . 1 . 2]" 1 468 1 44 LEU QD 1 45 TYR H 1.800 . 5.000 3.093 2.200 4.162 . 0 0 "[ . 1 . 2]" 1 469 1 44 LEU QD 1 56 VAL HB 1.800 . 5.000 3.534 1.835 5.008 0.008 10 0 "[ . 1 . 2]" 1 470 1 44 LEU QD 1 57 CYS HA 1.800 . 5.000 4.306 3.222 5.006 0.006 12 0 "[ . 1 . 2]" 1 471 1 44 LEU HG 1 45 TYR H 1.800 . 5.000 3.775 2.574 5.007 0.007 12 0 "[ . 1 . 2]" 1 472 1 44 LEU HG 1 46 VAL QG 1.800 . 5.000 3.239 1.802 5.003 0.003 19 0 "[ . 1 . 2]" 1 473 1 45 TYR HA 1 46 VAL H 1.800 . 3.500 2.180 2.119 2.341 . 0 0 "[ . 1 . 2]" 1 474 1 45 TYR QD 1 46 VAL H 1.800 . 5.000 4.452 3.851 4.829 . 0 0 "[ . 1 . 2]" 1 475 1 45 TYR H 1 46 VAL H 1.800 . 5.000 4.067 3.204 4.405 . 0 0 "[ . 1 . 2]" 1 476 1 46 VAL HA 1 47 GLY H 1.800 . 3.500 2.352 2.127 2.865 . 0 0 "[ . 1 . 2]" 1 477 1 46 VAL HB 1 56 VAL QG 1.800 . 5.000 3.228 1.933 4.096 . 0 0 "[ . 1 . 2]" 1 478 1 46 VAL QG 1 47 GLY H 1.800 . 5.000 2.682 1.945 3.558 . 0 0 "[ . 1 . 2]" 1 479 1 46 VAL QG 1 56 VAL HA 1.800 . 5.000 3.887 2.297 4.666 . 0 0 "[ . 1 . 2]" 1 480 1 46 VAL H 1 47 GLY H 1.800 . 5.000 4.477 4.224 4.595 . 0 0 "[ . 1 . 2]" 1 481 1 47 GLY HA3 1 48 VAL H 1.800 . 3.500 2.922 2.107 3.521 0.021 18 0 "[ . 1 . 2]" 1 482 1 47 GLY HA2 1 48 VAL H 1.800 . 3.500 2.755 2.206 3.489 . 0 0 "[ . 1 . 2]" 1 483 1 47 GLY H 1 48 VAL H 1.800 . 5.000 3.556 2.139 4.476 . 0 0 "[ . 1 . 2]" 1 484 1 48 VAL HA 1 49 PRO HA 1.800 . 5.000 4.515 4.459 4.645 . 0 0 "[ . 1 . 2]" 1 485 1 48 VAL HA 1 50 THR MG 1.800 . 5.000 4.815 4.441 5.004 0.004 1 0 "[ . 1 . 2]" 1 486 1 48 VAL HB 1 50 THR MG 1.800 . 5.000 3.533 2.704 4.465 . 0 0 "[ . 1 . 2]" 1 487 1 48 VAL QG 1 50 THR HA 1.800 . 5.000 3.941 3.261 4.921 . 0 0 "[ . 1 . 2]" 1 488 1 49 PRO HA 1 50 THR H 1.800 . 3.500 2.190 2.146 2.509 . 0 0 "[ . 1 . 2]" 1 489 1 49 PRO HA 1 73 LEU MD1 1.800 . 5.000 3.242 2.133 4.963 . 0 0 "[ . 1 . 2]" 1 490 1 49 PRO HA 1 73 LEU MD2 1.800 . 5.000 3.414 1.915 5.011 0.011 16 0 "[ . 1 . 2]" 1 491 1 49 PRO QB 1 74 PRO HA 1.800 . 5.000 4.127 2.991 4.902 . 0 0 "[ . 1 . 2]" 1 492 1 49 PRO QB 1 75 LYS H 1.800 . 5.000 3.726 2.313 4.614 . 0 0 "[ . 1 . 2]" 1 493 1 49 PRO HD3 1 75 LYS QE 1.800 . 5.000 4.428 3.262 5.006 0.006 1 0 "[ . 1 . 2]" 1 494 1 49 PRO HD2 1 75 LYS QE 1.800 . 5.000 3.923 2.674 5.006 0.006 19 0 "[ . 1 . 2]" 1 495 1 49 PRO QD 1 75 LYS QD 1.800 . 5.000 3.471 1.977 4.954 . 0 0 "[ . 1 . 2]" 1 496 1 49 PRO QG 1 75 LYS H 1.800 . 5.000 4.601 3.849 5.008 0.008 13 0 "[ . 1 . 2]" 1 497 1 50 THR HA 1 51 LYS H 1.800 . 2.900 2.552 2.383 2.799 . 0 0 "[ . 1 . 2]" 1 498 1 50 THR HB 1 54 ASN HA 1.800 . 5.000 4.848 4.472 5.017 0.017 11 0 "[ . 1 . 2]" 1 499 1 50 THR HB 1 73 LEU H 1.800 . 5.000 5.001 4.871 5.023 0.023 6 0 "[ . 1 . 2]" 1 500 1 50 THR MG 1 51 LYS H 1.800 . 5.000 3.069 2.257 3.574 . 0 0 "[ . 1 . 2]" 1 501 1 50 THR MG 1 54 ASN HA 1.800 . 5.000 4.666 4.172 4.965 . 0 0 "[ . 1 . 2]" 1 502 1 50 THR MG 1 54 ASN QB 1.800 . 5.000 2.627 2.253 3.095 . 0 0 "[ . 1 . 2]" 1 503 1 50 THR H 1 51 LYS H 1.800 . 5.000 4.430 4.284 4.541 . 0 0 "[ . 1 . 2]" 1 504 1 50 THR H 1 73 LEU QB 1.800 . 5.000 2.162 1.795 2.668 0.005 12 0 "[ . 1 . 2]" 1 505 1 50 THR H 1 73 LEU H 1.800 . 5.000 3.268 2.468 4.044 . 0 0 "[ . 1 . 2]" 1 506 1 51 LYS HA 1 52 SER H 1.800 . 2.900 2.636 2.349 2.918 0.018 11 0 "[ . 1 . 2]" 1 507 1 51 LYS HA 1 72 ASN HA 1.800 . 3.500 2.185 1.792 2.901 0.008 14 0 "[ . 1 . 2]" 1 508 1 51 LYS HA 1 73 LEU H 1.800 . 4.000 3.296 2.233 4.006 0.006 12 0 "[ . 1 . 2]" 1 509 1 51 LYS QB 1 72 ASN HA 1.800 . 5.000 4.109 3.446 4.670 . 0 0 "[ . 1 . 2]" 1 510 1 51 LYS QB 1 72 ASN QB 1.800 . 5.000 4.098 2.825 4.608 . 0 0 "[ . 1 . 2]" 1 511 1 51 LYS QG 1 52 SER H 1.800 . 5.000 3.620 1.795 4.484 0.005 16 0 "[ . 1 . 2]" 1 512 1 51 LYS H 1 52 SER H 1.800 . 5.000 4.304 3.163 4.539 . 0 0 "[ . 1 . 2]" 1 513 1 51 LYS H 1 54 ASN QB 1.800 . 5.000 3.333 2.586 4.269 . 0 0 "[ . 1 . 2]" 1 514 1 51 LYS H 1 54 ASN QD 1.800 . 5.000 3.234 2.127 3.893 . 0 0 "[ . 1 . 2]" 1 515 1 52 SER HA 1 53 GLY H 1.800 . 2.900 2.174 2.126 2.307 . 0 0 "[ . 1 . 2]" 1 516 1 52 SER HA 1 69 CYS QB 1.800 . 5.000 4.665 4.229 5.000 0.000 6 0 "[ . 1 . 2]" 1 517 1 52 SER QB 1 70 THR HA 1.800 . 5.000 3.133 2.604 3.874 . 0 0 "[ . 1 . 2]" 1 518 1 52 SER QB 1 71 LYS HA 1.800 . 5.000 4.082 3.708 4.929 . 0 0 "[ . 1 . 2]" 1 519 1 52 SER QB 1 71 LYS H 1.800 . 5.000 4.708 4.321 5.006 0.006 7 0 "[ . 1 . 2]" 1 520 1 52 SER QB 1 72 ASN H 1.800 . 5.000 4.396 4.013 5.003 0.003 7 0 "[ . 1 . 2]" 1 521 1 52 SER H 1 53 GLY H 1.800 . 5.000 4.507 4.248 4.624 . 0 0 "[ . 1 . 2]" 1 522 1 52 SER H 1 72 ASN HA 1.800 . 4.000 3.654 2.382 4.021 0.021 11 0 "[ . 1 . 2]" 1 523 1 53 GLY HA3 1 68 ILE MD 1.800 . 5.000 3.835 3.137 4.570 . 0 0 "[ . 1 . 2]" 1 524 1 53 GLY HA3 1 68 ILE MG 1.800 . 5.000 4.513 4.209 4.878 . 0 0 "[ . 1 . 2]" 1 525 1 53 GLY HA2 1 68 ILE MD 1.800 . 5.000 2.510 2.003 3.117 . 0 0 "[ . 1 . 2]" 1 526 1 53 GLY HA2 1 68 ILE MG 1.800 . 5.000 3.485 3.172 3.726 . 0 0 "[ . 1 . 2]" 1 527 1 53 GLY QA 1 54 ASN H 1.800 . 3.500 2.794 2.541 2.859 . 0 0 "[ . 1 . 2]" 1 528 1 53 GLY QA 1 68 ILE HB 1.800 . 5.000 2.671 2.268 3.202 . 0 0 "[ . 1 . 2]" 1 529 1 53 GLY H 1 54 ASN H 1.800 . 3.500 2.279 2.086 2.719 . 0 0 "[ . 1 . 2]" 1 530 1 53 GLY H 1 68 ILE HB 1.800 . 5.000 3.785 3.387 4.063 . 0 0 "[ . 1 . 2]" 1 531 1 53 GLY H 1 68 ILE MD 1.800 . 5.000 4.123 3.814 4.578 . 0 0 "[ . 1 . 2]" 1 532 1 53 GLY H 1 68 ILE MG 1.800 . 5.000 4.967 4.661 5.009 0.009 5 0 "[ . 1 . 2]" 1 533 1 53 GLY H 1 69 CYS QB 1.800 . 5.000 4.504 4.166 5.003 0.003 14 0 "[ . 1 . 2]" 1 534 1 54 ASN HA 1 55 VAL H 1.800 . 2.900 2.174 2.074 2.267 . 0 0 "[ . 1 . 2]" 1 535 1 54 ASN QB 1 56 VAL QG 1.800 . 5.000 3.974 2.809 4.453 . 0 0 "[ . 1 . 2]" 1 536 1 54 ASN HD21 1 70 THR HA 1.800 . 5.000 4.558 4.007 5.010 0.010 7 0 "[ . 1 . 2]" 1 537 1 54 ASN HD22 1 70 THR HA 1.800 . 5.000 4.829 4.225 5.013 0.013 17 0 "[ . 1 . 2]" 1 538 1 54 ASN H 1 55 VAL H 1.800 . 5.000 4.461 4.220 4.582 . 0 0 "[ . 1 . 2]" 1 539 1 54 ASN H 1 68 ILE HB 1.800 . 5.000 3.258 2.448 3.793 . 0 0 "[ . 1 . 2]" 1 540 1 54 ASN H 1 68 ILE MG 1.800 . 5.000 4.135 3.515 4.370 . 0 0 "[ . 1 . 2]" 1 541 1 54 ASN H 1 69 CYS QB 1.800 . 5.000 3.721 3.164 4.539 . 0 0 "[ . 1 . 2]" 1 542 1 54 ASN H 1 69 CYS H 1.800 . 4.000 3.218 2.911 3.379 . 0 0 "[ . 1 . 2]" 1 543 1 54 ASN H 1 70 THR HA 1.800 . 4.000 4.011 3.965 4.028 0.028 14 0 "[ . 1 . 2]" 1 544 1 55 VAL HA 1 68 ILE HA 1.800 . 3.500 2.331 2.113 2.490 . 0 0 "[ . 1 . 2]" 1 545 1 55 VAL HA 1 68 ILE HB 1.800 . 5.000 3.834 3.746 3.969 . 0 0 "[ . 1 . 2]" 1 546 1 55 VAL HA 1 68 ILE MD 1.800 . 5.000 4.994 4.874 5.008 0.008 8 0 "[ . 1 . 2]" 1 547 1 55 VAL HA 1 68 ILE MG 1.800 . 5.000 1.987 1.801 2.084 . 0 0 "[ . 1 . 2]" 1 548 1 55 VAL HA 1 69 CYS H 1.800 . 4.000 3.879 3.627 4.018 0.018 7 0 "[ . 1 . 2]" 1 549 1 55 VAL HB 1 66 ASP QB 1.800 . 5.000 4.523 4.196 5.003 0.003 1 0 "[ . 1 . 2]" 1 550 1 55 VAL MG1 1 56 VAL H 1.800 . 5.000 3.012 2.715 3.430 . 0 0 "[ . 1 . 2]" 1 551 1 55 VAL MG1 1 58 LYS QB 1.800 . 5.000 2.197 1.802 3.481 . 0 0 "[ . 1 . 2]" 1 552 1 55 VAL MG1 1 58 LYS QD 1.800 . 5.000 3.159 1.800 4.177 0.000 19 0 "[ . 1 . 2]" 1 553 1 55 VAL MG1 1 66 ASP HA 1.800 . 5.000 3.242 2.583 3.627 . 0 0 "[ . 1 . 2]" 1 554 1 55 VAL MG1 1 66 ASP QB 1.800 . 5.000 2.174 1.797 2.829 0.003 19 0 "[ . 1 . 2]" 1 555 1 55 VAL MG2 1 58 LYS HA 1.800 . 5.000 4.621 4.114 5.006 0.006 1 0 "[ . 1 . 2]" 1 556 1 55 VAL MG2 1 58 LYS QB 1.800 . 5.000 3.983 3.508 5.006 0.006 19 0 "[ . 1 . 2]" 1 557 1 55 VAL MG2 1 58 LYS QD 1.800 . 5.000 4.055 3.437 5.018 0.018 3 0 "[ . 1 . 2]" 1 558 1 55 VAL MG2 1 58 LYS QE 1.800 . 5.000 4.295 2.361 5.007 0.007 19 0 "[ . 1 . 2]" 1 559 1 55 VAL MG2 1 66 ASP HA 1.800 . 5.000 4.658 3.993 5.005 0.005 5 0 "[ . 1 . 2]" 1 560 1 55 VAL MG2 1 66 ASP QB 1.800 . 5.000 2.638 2.139 3.039 . 0 0 "[ . 1 . 2]" 1 561 1 55 VAL MG2 1 67 ILE H 1.800 . 5.000 4.940 4.413 5.007 0.007 20 0 "[ . 1 . 2]" 1 562 1 55 VAL QG 1 56 VAL H 1.800 . 5.000 2.945 2.676 3.310 . 0 0 "[ . 1 . 2]" 1 563 1 55 VAL QG 1 57 CYS HA 1.800 . 5.000 3.681 3.437 4.035 . 0 0 "[ . 1 . 2]" 1 564 1 55 VAL QG 1 57 CYS QB 1.800 . 5.000 4.302 4.022 4.686 . 0 0 "[ . 1 . 2]" 1 565 1 55 VAL QG 1 58 LYS HA 1.800 . 5.000 2.686 2.205 3.158 . 0 0 "[ . 1 . 2]" 1 566 1 55 VAL QG 1 58 LYS QB 1.800 . 5.000 2.184 1.797 3.418 0.003 18 0 "[ . 1 . 2]" 1 567 1 55 VAL QG 1 58 LYS QE 1.800 . 5.000 3.540 1.907 4.345 . 0 0 "[ . 1 . 2]" 1 568 1 55 VAL QG 1 58 LYS QG 1.800 . 5.000 2.782 1.801 3.531 . 0 0 "[ . 1 . 2]" 1 569 1 55 VAL QG 1 67 ILE HB 1.800 . 5.000 4.247 3.933 4.658 . 0 0 "[ . 1 . 2]" 1 570 1 55 VAL QG 1 67 ILE H 1.800 . 5.000 3.170 2.759 3.587 . 0 0 "[ . 1 . 2]" 1 571 1 55 VAL QG 1 68 ILE HA 1.800 . 5.000 3.480 3.235 3.693 . 0 0 "[ . 1 . 2]" 1 572 1 55 VAL H 1 56 VAL H 1.800 . 5.000 4.359 4.138 4.472 . 0 0 "[ . 1 . 2]" 1 573 1 55 VAL H 1 68 ILE MG 1.800 . 5.000 3.362 3.200 3.679 . 0 0 "[ . 1 . 2]" 1 574 1 56 VAL HB 1 67 ILE HB 1.800 . 5.000 3.723 2.931 5.006 0.006 3 0 "[ . 1 . 2]" 1 575 1 56 VAL HB 1 67 ILE MG 1.800 . 5.000 3.481 2.599 4.934 . 0 0 "[ . 1 . 2]" 1 576 1 56 VAL QG 1 57 CYS H 1.800 . 5.000 2.696 1.798 3.206 0.002 4 0 "[ . 1 . 2]" 1 577 1 56 VAL QG 1 68 ILE HA 1.800 . 5.000 3.049 2.624 3.229 . 0 0 "[ . 1 . 2]" 1 578 1 56 VAL QG 1 69 CYS HA 1.800 . 5.000 4.155 3.405 4.586 . 0 0 "[ . 1 . 2]" 1 579 1 56 VAL QG 1 69 CYS QB 1.800 . 5.000 3.053 2.136 3.826 . 0 0 "[ . 1 . 2]" 1 580 1 56 VAL QG 1 69 CYS H 1.800 . 5.000 2.842 2.352 3.365 . 0 0 "[ . 1 . 2]" 1 581 1 56 VAL H 1 57 CYS H 1.800 . 3.500 2.505 2.180 2.756 . 0 0 "[ . 1 . 2]" 1 582 1 56 VAL H 1 67 ILE HB 1.800 . 5.000 3.920 3.597 4.207 . 0 0 "[ . 1 . 2]" 1 583 1 56 VAL H 1 67 ILE MG 1.800 . 5.000 3.846 3.632 4.067 . 0 0 "[ . 1 . 2]" 1 584 1 56 VAL H 1 67 ILE H 1.800 . 5.000 4.550 4.141 4.830 . 0 0 "[ . 1 . 2]" 1 585 1 56 VAL H 1 68 ILE HA 1.800 . 4.000 2.702 2.306 3.014 . 0 0 "[ . 1 . 2]" 1 586 1 56 VAL H 1 68 ILE MG 1.800 . 5.000 3.644 3.376 3.842 . 0 0 "[ . 1 . 2]" 1 587 1 57 CYS QB 1 60 ILE HA 1.800 . 5.000 3.537 2.298 4.905 . 0 0 "[ . 1 . 2]" 1 588 1 57 CYS QB 1 60 ILE HB 1.800 . 5.000 2.414 1.838 2.925 . 0 0 "[ . 1 . 2]" 1 589 1 57 CYS QB 1 60 ILE MD 1.800 . 5.000 2.890 2.372 3.524 . 0 0 "[ . 1 . 2]" 1 590 1 57 CYS QB 1 60 ILE MG 1.800 . 5.000 3.586 3.006 4.085 . 0 0 "[ . 1 . 2]" 1 591 1 57 CYS QB 1 67 ILE HB 1.800 . 5.000 2.561 1.799 3.371 0.001 10 0 "[ . 1 . 2]" 1 592 1 57 CYS QB 1 67 ILE MD 1.800 . 5.000 4.391 3.883 5.005 0.005 1 0 "[ . 1 . 2]" 1 593 1 57 CYS QB 1 67 ILE HG13 1.800 . 5.000 3.252 2.646 3.915 . 0 0 "[ . 1 . 2]" 1 594 1 57 CYS QB 1 67 ILE HG12 1.800 . 5.000 3.210 2.435 4.050 . 0 0 "[ . 1 . 2]" 1 595 1 57 CYS QB 1 67 ILE MG 1.800 . 5.000 3.705 3.134 4.311 . 0 0 "[ . 1 . 2]" 1 596 1 57 CYS QB 1 67 ILE H 1.800 . 5.000 3.508 2.598 4.497 . 0 0 "[ . 1 . 2]" 1 597 1 57 CYS H 1 58 LYS H 1.800 . 5.000 4.089 3.912 4.345 . 0 0 "[ . 1 . 2]" 1 598 1 57 CYS H 1 67 ILE HB 1.800 . 5.000 2.491 2.085 2.769 . 0 0 "[ . 1 . 2]" 1 599 1 57 CYS H 1 67 ILE QG 1.800 . 5.000 4.074 3.763 4.240 . 0 0 "[ . 1 . 2]" 1 600 1 57 CYS H 1 67 ILE MG 1.800 . 5.000 3.617 3.262 3.991 . 0 0 "[ . 1 . 2]" 1 601 1 57 CYS H 1 67 ILE H 1.800 . 4.000 3.364 2.979 3.757 . 0 0 "[ . 1 . 2]" 1 602 1 58 LYS HA 1 59 ASN H 1.800 . 2.900 2.165 2.095 2.263 . 0 0 "[ . 1 . 2]" 1 603 1 58 LYS HA 1 66 ASP HA 1.800 . 3.500 2.427 1.805 3.274 . 0 0 "[ . 1 . 2]" 1 604 1 58 LYS HA 1 67 ILE H 1.800 . 4.000 3.409 2.993 4.005 0.005 19 0 "[ . 1 . 2]" 1 605 1 58 LYS QG 1 59 ASN H 1.800 . 5.000 3.173 2.411 4.927 . 0 0 "[ . 1 . 2]" 1 606 1 58 LYS H 1 59 ASN H 1.800 . 5.000 4.458 4.295 4.561 . 0 0 "[ . 1 . 2]" 1 607 1 59 ASN HA 1 63 THR MG 1.800 . 5.000 4.707 3.743 5.022 0.022 6 0 "[ . 1 . 2]" 1 608 1 59 ASN HA 1 64 GLY H 1.800 . 5.000 2.688 1.868 3.991 . 0 0 "[ . 1 . 2]" 1 609 1 59 ASN HA 1 65 VAL H 1.800 . 5.000 3.129 2.393 3.979 . 0 0 "[ . 1 . 2]" 1 610 1 59 ASN HD21 1 62 ASN HA 1.800 . 5.000 3.916 3.038 5.004 0.004 17 0 "[ . 1 . 2]" 1 611 1 59 ASN HD22 1 62 ASN HA 1.800 . 5.000 3.680 1.881 5.007 0.007 6 0 "[ . 1 . 2]" 1 612 1 59 ASN H 1 60 ILE H 1.800 . 5.000 2.828 2.554 3.245 . 0 0 "[ . 1 . 2]" 1 613 1 59 ASN H 1 66 ASP HA 1.800 . 5.000 2.653 2.083 3.531 . 0 0 "[ . 1 . 2]" 1 614 1 60 ILE HA 1 62 ASN H 1.800 . 5.000 3.903 3.268 4.864 . 0 0 "[ . 1 . 2]" 1 615 1 60 ILE HB 1 67 ILE MD 1.800 . 5.000 4.243 3.320 4.903 . 0 0 "[ . 1 . 2]" 1 616 1 60 ILE MD 1 61 MET H 1.800 . 5.000 4.365 4.142 4.785 . 0 0 "[ . 1 . 2]" 1 617 1 60 ILE MD 1 67 ILE MD 1.800 . 5.000 3.292 2.669 3.855 . 0 0 "[ . 1 . 2]" 1 618 1 60 ILE MD 1 67 ILE HG13 1.800 . 5.000 2.565 2.112 3.132 . 0 0 "[ . 1 . 2]" 1 619 1 60 ILE MD 1 67 ILE HG12 1.800 . 5.000 3.344 2.790 3.852 . 0 0 "[ . 1 . 2]" 1 620 1 60 ILE MG 1 61 MET H 1.800 . 5.000 3.408 1.797 4.219 0.003 12 0 "[ . 1 . 2]" 1 621 1 60 ILE MG 1 63 THR MG 1.800 . 5.000 3.085 2.434 3.634 . 0 0 "[ . 1 . 2]" 1 622 1 60 ILE MG 1 65 VAL HB 1.800 . 5.000 3.106 2.209 4.177 . 0 0 "[ . 1 . 2]" 1 623 1 60 ILE MG 1 65 VAL MG1 1.800 . 5.000 3.108 1.911 4.180 . 0 0 "[ . 1 . 2]" 1 624 1 60 ILE MG 1 65 VAL MG2 1.800 . 5.000 3.964 1.825 4.793 . 0 0 "[ . 1 . 2]" 1 625 1 60 ILE MG 1 65 VAL H 1.800 . 5.000 3.861 3.390 4.417 . 0 0 "[ . 1 . 2]" 1 626 1 60 ILE MG 1 66 ASP HA 1.800 . 5.000 4.118 2.950 5.003 0.003 2 0 "[ . 1 . 2]" 1 627 1 60 ILE MG 1 67 ILE HB 1.800 . 5.000 4.188 3.676 4.858 . 0 0 "[ . 1 . 2]" 1 628 1 60 ILE MG 1 67 ILE MD 1.800 . 5.000 2.564 2.149 3.252 . 0 0 "[ . 1 . 2]" 1 629 1 60 ILE MG 1 67 ILE HG13 1.800 . 5.000 2.707 2.287 3.628 . 0 0 "[ . 1 . 2]" 1 630 1 60 ILE MG 1 67 ILE HG12 1.800 . 5.000 2.353 1.798 3.014 0.002 17 0 "[ . 1 . 2]" 1 631 1 60 ILE MG 1 67 ILE MG 1.800 . 5.000 4.296 3.978 4.999 . 0 0 "[ . 1 . 2]" 1 632 1 60 ILE MG 1 67 ILE H 1.800 . 5.000 3.820 2.993 4.542 . 0 0 "[ . 1 . 2]" 1 633 1 60 ILE H 1 62 ASN H 1.800 . 5.000 4.510 4.051 5.002 0.002 14 0 "[ . 1 . 2]" 1 634 1 60 ILE H 1 63 THR MG 1.800 . 5.000 4.594 3.586 5.014 0.014 12 0 "[ . 1 . 2]" 1 635 1 60 ILE H 1 65 VAL HB 1.800 . 5.000 4.393 3.607 5.019 0.019 11 0 "[ . 1 . 2]" 1 636 1 60 ILE H 1 65 VAL QG 1.800 . 5.000 4.075 2.580 4.829 . 0 0 "[ . 1 . 2]" 1 637 1 61 MET QB 1 63 THR MG 1.800 . 5.000 2.635 1.807 4.087 . 0 0 "[ . 1 . 2]" 1 638 1 61 MET QG 1 63 THR MG 1.800 . 5.000 4.169 3.637 5.009 0.009 20 0 "[ . 1 . 2]" 1 639 1 61 MET H 1 62 ASN H 1.800 . 5.000 2.748 2.404 3.987 . 0 0 "[ . 1 . 2]" 1 640 1 62 ASN HA 1 64 GLY H 1.800 . 5.000 3.648 3.245 4.592 . 0 0 "[ . 1 . 2]" 1 641 1 62 ASN H 1 63 THR H 1.800 . 3.500 2.866 2.558 3.451 . 0 0 "[ . 1 . 2]" 1 642 1 62 ASN H 1 64 GLY H 1.800 . 5.000 4.374 3.612 4.942 . 0 0 "[ . 1 . 2]" 1 643 1 63 THR HA 1 65 VAL QG 1.800 . 5.000 4.670 3.852 5.002 0.002 1 0 "[ . 1 . 2]" 1 644 1 63 THR MG 1 64 GLY H 1.800 . 5.000 3.578 2.223 4.177 . 0 0 "[ . 1 . 2]" 1 645 1 63 THR H 1 64 GLY H 1.800 . 3.500 2.225 1.790 2.786 0.010 19 0 "[ . 1 . 2]" 1 646 1 64 GLY H 1 65 VAL H 1.800 . 3.500 2.356 1.897 2.944 . 0 0 "[ . 1 . 2]" 1 647 1 65 VAL HA 1 66 ASP H 1.800 . 3.500 2.155 2.099 2.361 . 0 0 "[ . 1 . 2]" 1 648 1 65 VAL MG1 1 66 ASP H 1.800 . 5.000 2.740 2.410 3.796 . 0 0 "[ . 1 . 2]" 1 649 1 65 VAL MG2 1 66 ASP H 1.800 . 5.000 3.722 2.037 4.067 . 0 0 "[ . 1 . 2]" 1 650 1 65 VAL QG 1 67 ILE HA 1.800 . 5.000 3.515 3.151 4.614 . 0 0 "[ . 1 . 2]" 1 651 1 65 VAL QG 1 67 ILE MD 1.800 . 5.000 2.258 2.049 2.743 . 0 0 "[ . 1 . 2]" 1 652 1 65 VAL H 1 66 ASP H 1.800 . 5.000 4.468 4.184 4.579 . 0 0 "[ . 1 . 2]" 1 653 1 66 ASP HA 1 67 ILE H 1.800 . 2.900 2.156 2.086 2.216 . 0 0 "[ . 1 . 2]" 1 654 1 66 ASP QB 1 68 ILE MD 1.800 . 5.000 4.250 3.577 5.001 0.001 4 0 "[ . 1 . 2]" 1 655 1 66 ASP H 1 67 ILE H 1.800 . 5.000 4.330 4.146 4.481 . 0 0 "[ . 1 . 2]" 1 656 1 67 ILE HA 1 68 ILE H 1.800 . 2.900 2.136 2.114 2.157 . 0 0 "[ . 1 . 2]" 1 657 1 67 ILE HB 1 68 ILE H 1.800 . 5.000 4.323 4.212 4.408 . 0 0 "[ . 1 . 2]" 1 658 1 67 ILE MD 1 68 ILE H 1.800 . 5.000 3.704 3.555 3.816 . 0 0 "[ . 1 . 2]" 1 659 1 67 ILE MG 1 68 ILE H 1.800 . 5.000 2.994 2.759 3.243 . 0 0 "[ . 1 . 2]" 1 660 1 68 ILE HA 1 69 CYS H 1.800 . 2.900 2.163 2.127 2.196 . 0 0 "[ . 1 . 2]" 1 661 1 68 ILE HB 1 69 CYS H 1.800 . 5.000 3.034 2.814 3.190 . 0 0 "[ . 1 . 2]" 1 662 1 68 ILE MD 1 69 CYS H 1.800 . 5.000 4.890 4.724 5.005 0.005 17 0 "[ . 1 . 2]" 1 663 1 68 ILE MG 1 69 CYS H 1.800 . 5.000 3.753 3.613 3.879 . 0 0 "[ . 1 . 2]" 1 664 1 69 CYS HA 1 70 THR H 1.800 . 2.900 2.250 2.163 2.356 . 0 0 "[ . 1 . 2]" 1 665 1 69 CYS H 1 70 THR H 1.800 . 5.000 4.559 4.449 4.652 . 0 0 "[ . 1 . 2]" 1 666 1 70 THR HA 1 71 LYS H 1.800 . 3.500 3.206 3.107 3.316 . 0 0 "[ . 1 . 2]" 1 667 1 70 THR HA 1 72 ASN HD21 1.800 . 5.000 4.931 4.726 5.026 0.026 15 0 "[ . 1 . 2]" 1 668 1 70 THR HA 1 72 ASN HD22 1.800 . 5.000 4.995 4.868 5.013 0.013 14 0 "[ . 1 . 2]" 1 669 1 70 THR MG 1 71 LYS H 1.800 . 5.000 3.153 2.911 3.361 . 0 0 "[ . 1 . 2]" 1 670 1 70 THR H 1 71 LYS H 1.800 . 3.500 2.190 2.005 2.437 . 0 0 "[ . 1 . 2]" 1 671 1 71 LYS HA 1 72 ASN H 1.800 . 3.500 2.215 2.111 2.317 . 0 0 "[ . 1 . 2]" 1 672 1 71 LYS QB 1 73 LEU MD1 1.800 . 5.000 3.452 2.302 4.665 . 0 0 "[ . 1 . 2]" 1 673 1 71 LYS QB 1 73 LEU MD2 1.800 . 5.000 3.684 2.054 5.000 . 0 0 "[ . 1 . 2]" 1 674 1 71 LYS QD 1 72 ASN H 1.800 . 5.000 3.830 1.962 4.915 . 0 0 "[ . 1 . 2]" 1 675 1 71 LYS QD 1 73 LEU MD1 1.800 . 5.000 4.310 2.938 5.013 0.013 6 0 "[ . 1 . 2]" 1 676 1 71 LYS QD 1 73 LEU QD 1.800 . 5.000 3.465 2.239 4.553 . 0 0 "[ . 1 . 2]" 1 677 1 71 LYS QE 1 73 LEU QD 1.800 . 5.000 3.879 2.401 5.007 0.007 8 0 "[ . 1 . 2]" 1 678 1 71 LYS QG 1 72 ASN H 1.800 . 5.000 2.719 2.168 4.251 . 0 0 "[ . 1 . 2]" 1 679 1 71 LYS QG 1 73 LEU QD 1.800 . 5.000 2.955 1.925 3.710 . 0 0 "[ . 1 . 2]" 1 680 1 71 LYS H 1 72 ASN H 1.800 . 5.000 4.493 4.304 4.554 . 0 0 "[ . 1 . 2]" 1 681 1 72 ASN HA 1 73 LEU H 1.800 . 3.500 2.156 2.127 2.185 . 0 0 "[ . 1 . 2]" 1 682 1 73 LEU HA 1 74 PRO QD 1.800 . 3.500 1.869 1.788 2.011 0.012 13 0 "[ . 1 . 2]" 1 683 1 74 PRO HA 1 75 LYS H 1.800 . 3.500 2.236 2.131 2.619 . 0 0 "[ . 1 . 2]" 1 684 1 74 PRO QD 1 75 LYS H 1.800 . 5.000 4.801 4.452 4.974 . 0 0 "[ . 1 . 2]" 1 685 1 75 LYS HA 1 76 ASP H 1.800 . 3.500 2.909 2.142 3.524 0.024 15 0 "[ . 1 . 2]" 1 686 1 75 LYS QG 1 76 ASP H 1.800 . 5.000 3.138 1.793 4.450 0.007 3 0 "[ . 1 . 2]" 1 687 1 75 LYS H 1 76 ASP H 1.800 . 5.000 3.383 1.988 4.619 . 0 0 "[ . 1 . 2]" 1 688 1 76 ASP HA 1 77 SER H 1.800 . 3.500 2.421 2.126 3.213 . 0 0 "[ . 1 . 2]" 1 689 1 77 SER HA 1 78 LEU H 1.800 . 3.500 2.494 2.144 3.509 0.009 8 0 "[ . 1 . 2]" 1 690 1 78 LEU HA 1 79 GLU H 1.800 . 3.500 2.588 2.131 3.507 0.007 4 0 "[ . 1 . 2]" 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 28 _Distance_constraint_stats_list.Viol_count 64 _Distance_constraint_stats_list.Viol_total 5.775 _Distance_constraint_stats_list.Viol_max 0.014 _Distance_constraint_stats_list.Viol_rms 0.0018 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0005 _Distance_constraint_stats_list.Viol_average_violations_only 0.0045 _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 4 ASP 0.037 0.010 16 0 "[ . 1 . 2]" 1 8 SER 0.093 0.010 20 0 "[ . 1 . 2]" 1 10 VAL 0.000 0.000 . 0 "[ . 1 . 2]" 1 13 ARG 0.040 0.010 14 0 "[ . 1 . 2]" 1 21 VAL 0.000 0.000 . 0 "[ . 1 . 2]" 1 23 VAL 0.093 0.010 20 0 "[ . 1 . 2]" 1 24 LYS 0.040 0.008 8 0 "[ . 1 . 2]" 1 29 VAL 0.037 0.010 16 0 "[ . 1 . 2]" 1 34 TRP 0.019 0.009 10 0 "[ . 1 . 2]" 1 35 ILE 0.010 0.005 9 0 "[ . 1 . 2]" 1 36 ASP 0.030 0.014 16 0 "[ . 1 . 2]" 1 37 PHE 0.000 0.000 . 0 "[ . 1 . 2]" 1 38 SER 0.027 0.009 10 0 "[ . 1 . 2]" 1 39 ASN 0.010 0.005 9 0 "[ . 1 . 2]" 1 40 VAL 0.030 0.014 16 0 "[ . 1 . 2]" 1 41 LEU 0.000 0.000 . 0 "[ . 1 . 2]" 1 42 SER 0.008 0.004 20 0 "[ . 1 . 2]" 1 46 VAL 0.040 0.010 14 0 "[ . 1 . 2]" 1 54 ASN 0.011 0.004 6 0 "[ . 1 . 2]" 1 68 ILE 0.040 0.008 8 0 "[ . 1 . 2]" 1 69 CYS 0.011 0.004 6 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 8 SER H 1 23 VAL O 1.800 . 2.300 1.990 1.845 2.211 . 0 0 "[ . 1 . 2]" 2 2 1 8 SER N 1 23 VAL O 2.700 2.700 3.300 2.927 2.792 3.086 . 0 0 "[ . 1 . 2]" 2 3 1 8 SER O 1 23 VAL H 1.800 . 2.300 1.799 1.790 1.842 0.010 20 0 "[ . 1 . 2]" 2 4 1 8 SER O 1 23 VAL N 2.700 2.700 3.300 2.731 2.700 2.802 0.000 11 0 "[ . 1 . 2]" 2 5 1 10 VAL H 1 21 VAL O 1.800 . 2.300 1.955 1.838 2.123 . 0 0 "[ . 1 . 2]" 2 6 1 10 VAL N 1 21 VAL O 2.700 2.700 3.300 2.924 2.816 3.093 . 0 0 "[ . 1 . 2]" 2 7 1 10 VAL O 1 21 VAL H 1.800 . 2.300 1.986 1.804 2.272 . 0 0 "[ . 1 . 2]" 2 8 1 10 VAL O 1 21 VAL N 2.700 2.700 3.300 2.938 2.756 3.238 . 0 0 "[ . 1 . 2]" 2 9 1 24 LYS H 1 68 ILE O 1.800 . 2.300 1.822 1.792 1.916 0.008 8 0 "[ . 1 . 2]" 2 10 1 24 LYS N 1 68 ILE O 2.700 2.700 3.300 2.769 2.716 2.878 . 0 0 "[ . 1 . 2]" 2 11 1 24 LYS O 1 68 ILE H 1.800 . 2.300 2.008 1.797 2.221 0.003 1 0 "[ . 1 . 2]" 2 12 1 24 LYS O 1 68 ILE N 2.700 2.700 3.300 2.904 2.702 3.064 . 0 0 "[ . 1 . 2]" 2 13 1 13 ARG H 1 46 VAL O 1.800 . 2.300 1.894 1.790 2.197 0.010 14 0 "[ . 1 . 2]" 2 14 1 13 ARG N 1 46 VAL O 2.700 2.700 3.300 2.826 2.700 3.089 0.000 1 0 "[ . 1 . 2]" 2 15 1 4 ASP O 1 29 VAL H 1.800 . 2.300 1.866 1.790 2.071 0.010 16 0 "[ . 1 . 2]" 2 16 1 4 ASP O 1 29 VAL N 2.700 2.700 3.300 2.778 2.692 2.945 0.008 6 0 "[ . 1 . 2]" 2 17 1 54 ASN O 1 69 CYS H 1.800 . 2.300 1.928 1.796 2.120 0.004 6 0 "[ . 1 . 2]" 2 18 1 54 ASN O 1 69 CYS N 2.700 2.700 3.300 2.828 2.710 3.038 . 0 0 "[ . 1 . 2]" 2 19 1 34 TRP O 1 38 SER H 1.800 . 2.300 2.106 1.875 2.309 0.009 10 0 "[ . 1 . 2]" 2 20 1 34 TRP O 1 38 SER N 2.700 2.700 3.300 3.036 2.800 3.274 . 0 0 "[ . 1 . 2]" 2 21 1 35 ILE O 1 39 ASN H 1.800 . 2.300 2.102 1.917 2.305 0.005 9 0 "[ . 1 . 2]" 2 22 1 35 ILE O 1 39 ASN N 2.700 2.700 3.300 2.980 2.805 3.226 . 0 0 "[ . 1 . 2]" 2 23 1 36 ASP O 1 40 VAL H 1.800 . 2.300 2.202 1.865 2.314 0.014 16 0 "[ . 1 . 2]" 2 24 1 36 ASP O 1 40 VAL N 2.700 2.700 3.300 3.105 2.825 3.255 . 0 0 "[ . 1 . 2]" 2 25 1 37 PHE O 1 41 LEU H 1.800 . 2.300 1.974 1.800 2.271 . 0 0 "[ . 1 . 2]" 2 26 1 37 PHE O 1 41 LEU N 2.700 2.700 3.300 2.924 2.749 3.187 . 0 0 "[ . 1 . 2]" 2 27 1 38 SER O 1 42 SER H 1.800 . 2.300 2.125 1.840 2.304 0.004 20 0 "[ . 1 . 2]" 2 28 1 38 SER O 1 42 SER N 2.700 2.700 3.300 2.941 2.720 3.225 . 0 0 "[ . 1 . 2]" 2 stop_ save_
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