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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
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405750 |
1x67 ![]() ![]() |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1x67 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 3500 _Distance_constraint_stats_list.Viol_count 987 _Distance_constraint_stats_list.Viol_total 49.147 _Distance_constraint_stats_list.Viol_max 0.077 _Distance_constraint_stats_list.Viol_rms 0.0009 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0000 _Distance_constraint_stats_list.Viol_average_violations_only 0.0025 _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 7 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 8 MET 0.037 0.021 1 0 "[ . 1 . 2]" 1 9 ALA 0.037 0.021 1 0 "[ . 1 . 2]" 1 10 ALA 0.002 0.001 10 0 "[ . 1 . 2]" 1 11 ASN 0.004 0.001 10 0 "[ . 1 . 2]" 1 12 LEU 0.008 0.002 10 0 "[ . 1 . 2]" 1 13 SER 0.003 0.002 17 0 "[ . 1 . 2]" 1 14 ARG 0.012 0.005 10 0 "[ . 1 . 2]" 1 15 ASN 0.103 0.026 17 0 "[ . 1 . 2]" 1 16 GLY 0.061 0.022 17 0 "[ . 1 . 2]" 1 17 PRO 0.003 0.001 17 0 "[ . 1 . 2]" 1 18 ALA 0.004 0.001 10 0 "[ . 1 . 2]" 1 19 LEU 0.084 0.022 17 0 "[ . 1 . 2]" 1 20 GLN 0.066 0.012 17 0 "[ . 1 . 2]" 1 21 GLU 0.162 0.030 17 0 "[ . 1 . 2]" 1 22 ALA 0.040 0.006 20 0 "[ . 1 . 2]" 1 23 TYR 0.191 0.040 14 0 "[ . 1 . 2]" 1 24 VAL 0.353 0.040 14 0 "[ . 1 . 2]" 1 25 ARG 0.103 0.006 14 0 "[ . 1 . 2]" 1 26 VAL 0.065 0.005 19 0 "[ . 1 . 2]" 1 27 VAL 0.147 0.006 18 0 "[ . 1 . 2]" 1 28 THR 0.036 0.005 19 0 "[ . 1 . 2]" 1 29 GLU 0.007 0.002 3 0 "[ . 1 . 2]" 1 30 LYS 0.000 0.000 . 0 "[ . 1 . 2]" 1 31 SER 0.006 0.002 3 0 "[ . 1 . 2]" 1 32 PRO 0.000 0.000 . 0 "[ . 1 . 2]" 1 33 THR 0.121 0.006 18 0 "[ . 1 . 2]" 1 34 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 35 TRP 0.031 0.005 15 0 "[ . 1 . 2]" 1 36 ALA 0.010 0.002 4 0 "[ . 1 . 2]" 1 37 LEU 0.014 0.002 8 0 "[ . 1 . 2]" 1 38 PHE 0.012 0.002 19 0 "[ . 1 . 2]" 1 39 THR 0.039 0.003 10 0 "[ . 1 . 2]" 1 40 TYR 0.006 0.001 17 0 "[ . 1 . 2]" 1 41 GLU 0.004 0.001 18 0 "[ . 1 . 2]" 1 42 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 43 ASN 0.000 0.000 10 0 "[ . 1 . 2]" 1 44 SER 0.002 0.001 11 0 "[ . 1 . 2]" 1 45 ASN 0.001 0.001 17 0 "[ . 1 . 2]" 1 46 ASP 0.008 0.002 18 0 "[ . 1 . 2]" 1 47 ILE 0.025 0.003 10 0 "[ . 1 . 2]" 1 48 ARG 0.014 0.003 16 0 "[ . 1 . 2]" 1 49 VAL 0.186 0.025 19 0 "[ . 1 . 2]" 1 50 ALA 0.183 0.025 19 0 "[ . 1 . 2]" 1 51 GLY 0.025 0.005 15 0 "[ . 1 . 2]" 1 52 THR 0.036 0.006 20 0 "[ . 1 . 2]" 1 53 GLY 0.473 0.077 19 0 "[ . 1 . 2]" 1 54 GLU 0.496 0.077 19 0 "[ . 1 . 2]" 1 55 GLY 0.001 0.001 15 0 "[ . 1 . 2]" 1 56 GLY 0.000 0.000 20 0 "[ . 1 . 2]" 1 57 LEU 0.002 0.001 18 0 "[ . 1 . 2]" 1 58 GLU 0.000 0.000 5 0 "[ . 1 . 2]" 1 59 GLU 0.004 0.001 15 0 "[ . 1 . 2]" 1 60 MET 0.006 0.001 15 0 "[ . 1 . 2]" 1 61 VAL 0.001 0.001 5 0 "[ . 1 . 2]" 1 62 GLU 0.000 0.000 7 0 "[ . 1 . 2]" 1 63 GLU 0.001 0.001 8 0 "[ . 1 . 2]" 1 64 LEU 0.001 0.001 8 0 "[ . 1 . 2]" 1 65 ASN 0.005 0.001 8 0 "[ . 1 . 2]" 1 66 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 67 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 68 LYS 0.006 0.001 9 0 "[ . 1 . 2]" 1 69 VAL 0.002 0.001 17 0 "[ . 1 . 2]" 1 70 MET 0.004 0.001 15 0 "[ . 1 . 2]" 1 71 TYR 0.005 0.001 17 0 "[ . 1 . 2]" 1 72 ALA 0.004 0.001 4 0 "[ . 1 . 2]" 1 73 PHE 0.013 0.002 18 0 "[ . 1 . 2]" 1 74 CYS 0.001 0.001 6 0 "[ . 1 . 2]" 1 75 ARG 0.004 0.001 8 0 "[ . 1 . 2]" 1 76 VAL 0.008 0.001 6 0 "[ . 1 . 2]" 1 77 LYS 0.005 0.001 7 0 "[ . 1 . 2]" 1 78 ASP 0.005 0.001 7 0 "[ . 1 . 2]" 1 79 PRO 0.005 0.001 9 0 "[ . 1 . 2]" 1 80 ASN 0.002 0.001 5 0 "[ . 1 . 2]" 1 81 SER 0.014 0.003 6 0 "[ . 1 . 2]" 1 82 GLY 0.003 0.003 6 0 "[ . 1 . 2]" 1 83 LEU 0.003 0.002 6 0 "[ . 1 . 2]" 1 84 PRO 0.001 0.001 2 0 "[ . 1 . 2]" 1 85 LYS 0.006 0.001 6 0 "[ . 1 . 2]" 1 86 PHE 0.037 0.003 7 0 "[ . 1 . 2]" 1 87 VAL 0.002 0.001 10 0 "[ . 1 . 2]" 1 88 LEU 0.031 0.003 16 0 "[ . 1 . 2]" 1 89 ILE 0.017 0.004 8 0 "[ . 1 . 2]" 1 90 ASN 0.034 0.004 8 0 "[ . 1 . 2]" 1 91 TRP 0.017 0.001 5 0 "[ . 1 . 2]" 1 92 THR 0.001 0.001 12 0 "[ . 1 . 2]" 1 93 GLY 0.003 0.001 12 0 "[ . 1 . 2]" 1 94 GLU 0.001 0.000 8 0 "[ . 1 . 2]" 1 95 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 96 VAL 0.003 0.001 9 0 "[ . 1 . 2]" 1 97 ASN 0.000 0.000 . 0 "[ . 1 . 2]" 1 98 ASP 0.001 0.001 7 0 "[ . 1 . 2]" 1 99 VAL 0.000 0.000 10 0 "[ . 1 . 2]" 1 100 ARG 0.001 0.001 14 0 "[ . 1 . 2]" 1 101 LYS 0.014 0.001 17 0 "[ . 1 . 2]" 1 102 GLY 0.000 0.000 6 0 "[ . 1 . 2]" 1 103 ALA 0.000 0.000 6 0 "[ . 1 . 2]" 1 104 CYS 0.012 0.001 17 0 "[ . 1 . 2]" 1 105 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 106 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 107 HIS 0.001 0.001 10 0 "[ . 1 . 2]" 1 108 VAL 0.000 0.000 14 0 "[ . 1 . 2]" 1 109 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 110 THR 0.000 0.000 . 0 "[ . 1 . 2]" 1 111 MET 0.003 0.001 19 0 "[ . 1 . 2]" 1 112 ALA 0.002 0.000 18 0 "[ . 1 . 2]" 1 113 SER 0.001 0.000 18 0 "[ . 1 . 2]" 1 114 PHE 0.009 0.002 10 0 "[ . 1 . 2]" 1 115 LEU 0.005 0.001 10 0 "[ . 1 . 2]" 1 116 LYS 0.004 0.001 9 0 "[ . 1 . 2]" 1 117 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 118 ALA 0.001 0.001 10 0 "[ . 1 . 2]" 1 119 HIS 0.010 0.002 13 0 "[ . 1 . 2]" 1 120 VAL 0.003 0.001 5 0 "[ . 1 . 2]" 1 121 THR 0.001 0.001 6 0 "[ . 1 . 2]" 1 122 ILE 0.004 0.001 18 0 "[ . 1 . 2]" 1 123 ASN 0.000 0.000 20 0 "[ . 1 . 2]" 1 124 ALA 0.008 0.001 15 0 "[ . 1 . 2]" 1 125 ARG 0.001 0.001 13 0 "[ . 1 . 2]" 1 126 ALA 0.001 0.000 3 0 "[ . 1 . 2]" 1 127 GLU 0.000 0.000 . 0 "[ . 1 . 2]" 1 128 GLU 0.000 0.000 3 0 "[ . 1 . 2]" 1 129 ASP 0.073 0.004 17 0 "[ . 1 . 2]" 1 130 VAL 0.072 0.004 17 0 "[ . 1 . 2]" 1 131 GLU 0.011 0.006 4 0 "[ . 1 . 2]" 1 132 PRO 0.008 0.004 4 0 "[ . 1 . 2]" 1 133 GLU 0.013 0.006 4 0 "[ . 1 . 2]" 1 134 CYS 0.003 0.001 18 0 "[ . 1 . 2]" 1 135 ILE 0.005 0.001 13 0 "[ . 1 . 2]" 1 136 MET 0.006 0.001 18 0 "[ . 1 . 2]" 1 137 GLU 0.007 0.001 9 0 "[ . 1 . 2]" 1 138 LYS 0.527 0.027 9 0 "[ . 1 . 2]" 1 139 VAL 0.480 0.027 9 0 "[ . 1 . 2]" 1 140 ALA 0.008 0.001 9 0 "[ . 1 . 2]" 1 141 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 142 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 143 PRO 0.000 0.000 . 0 "[ . 1 . 2]" 1 145 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 146 GLY 0.000 0.000 . 0 "[ . 1 . 2]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 35 TRP HE1 1 55 GLY H . . 3.370 2.146 1.900 2.507 . 0 0 "[ . 1 . 2]" 1 2 1 54 GLU H 1 55 GLY H . . 3.030 2.593 2.345 2.736 . 0 0 "[ . 1 . 2]" 1 3 1 35 TRP HD1 1 55 GLY H . . 4.290 3.245 3.072 3.455 . 0 0 "[ . 1 . 2]" 1 4 1 53 GLY HA2 1 55 GLY H . . 4.310 4.193 4.121 4.282 . 0 0 "[ . 1 . 2]" 1 5 1 53 GLY HA3 1 55 GLY H . . 3.950 3.206 3.123 3.411 . 0 0 "[ . 1 . 2]" 1 6 1 55 GLY H 1 59 GLU HB3 . . 4.060 3.515 3.130 3.827 . 0 0 "[ . 1 . 2]" 1 7 1 55 GLY H 1 59 GLU HB2 . . 4.290 4.053 3.756 4.288 . 0 0 "[ . 1 . 2]" 1 8 1 59 GLU HA 1 61 VAL H . . 4.820 4.602 4.282 4.793 . 0 0 "[ . 1 . 2]" 1 9 1 59 GLU HB3 1 61 VAL H . . 5.500 5.372 5.162 5.500 . 0 0 "[ . 1 . 2]" 1 10 1 57 LEU HB3 1 61 VAL H . . 5.500 4.579 4.298 4.850 . 0 0 "[ . 1 . 2]" 1 11 1 61 VAL H 1 64 LEU HG . . 5.500 4.552 4.392 4.850 . 0 0 "[ . 1 . 2]" 1 12 1 57 LEU HA 1 61 VAL H . . 4.370 3.782 3.450 4.001 . 0 0 "[ . 1 . 2]" 1 13 1 60 MET HB3 1 61 VAL H . . 3.380 2.423 2.275 2.615 . 0 0 "[ . 1 . 2]" 1 14 1 61 VAL H 1 61 VAL MG1 . . 3.050 2.157 1.988 2.374 . 0 0 "[ . 1 . 2]" 1 15 1 39 THR H 1 48 ARG H . . 3.490 3.331 3.126 3.480 . 0 0 "[ . 1 . 2]" 1 16 1 119 HIS H 1 119 HIS HE1 . . 5.500 4.795 4.496 5.120 . 0 0 "[ . 1 . 2]" 1 17 1 38 PHE HA 1 48 ARG H . . 4.930 4.407 4.148 4.867 . 0 0 "[ . 1 . 2]" 1 18 1 40 TYR HA 1 48 ARG H . . 3.950 3.260 3.068 3.428 . 0 0 "[ . 1 . 2]" 1 19 1 39 THR HA 1 48 ARG H . . 4.690 4.369 4.211 4.574 . 0 0 "[ . 1 . 2]" 1 20 1 47 ILE HA 1 48 ARG H . . 2.820 2.186 2.142 2.230 . 0 0 "[ . 1 . 2]" 1 21 1 39 THR MG 1 48 ARG H . . 4.190 4.014 3.917 4.073 . 0 0 "[ . 1 . 2]" 1 22 1 47 ILE MG 1 48 ARG H . . 3.230 2.203 1.970 2.519 . 0 0 "[ . 1 . 2]" 1 23 1 35 TRP HA 1 73 PHE H . . 4.640 4.328 4.185 4.435 . 0 0 "[ . 1 . 2]" 1 24 1 73 PHE H 1 73 PHE HB2 . . 3.540 2.971 2.882 3.097 . 0 0 "[ . 1 . 2]" 1 25 1 36 ALA MB 1 73 PHE H . . 3.990 3.399 3.086 3.616 . 0 0 "[ . 1 . 2]" 1 26 1 36 ALA H 1 73 PHE H . . 3.630 2.641 2.473 2.839 . 0 0 "[ . 1 . 2]" 1 27 1 38 PHE QD 1 73 PHE H . . 5.220 4.512 4.269 4.763 . 0 0 "[ . 1 . 2]" 1 28 1 38 PHE QE 1 73 PHE H . . 5.500 4.065 3.706 4.422 . 0 0 "[ . 1 . 2]" 1 29 1 73 PHE H 1 73 PHE QD . . 4.610 4.367 4.337 4.422 . 0 0 "[ . 1 . 2]" 1 30 1 72 ALA HA 1 73 PHE H . . 2.770 2.166 2.142 2.235 . 0 0 "[ . 1 . 2]" 1 31 1 37 LEU HA 1 73 PHE H . . 3.920 3.905 3.846 3.922 0.002 16 0 "[ . 1 . 2]" 1 32 1 73 PHE H 1 73 PHE HB3 . . 3.450 2.813 2.715 2.942 . 0 0 "[ . 1 . 2]" 1 33 1 72 ALA MB 1 73 PHE H . . 3.430 3.071 2.772 3.218 . 0 0 "[ . 1 . 2]" 1 34 1 26 VAL MG1 1 73 PHE H . . 5.500 4.821 4.640 5.158 . 0 0 "[ . 1 . 2]" 1 35 1 26 VAL MG2 1 73 PHE H . . 5.500 4.651 4.465 4.782 . 0 0 "[ . 1 . 2]" 1 36 1 86 PHE H 1 119 HIS H . . 4.060 3.139 2.920 3.444 . 0 0 "[ . 1 . 2]" 1 37 1 118 ALA HA 1 119 HIS H . . 2.990 2.169 2.144 2.180 . 0 0 "[ . 1 . 2]" 1 38 1 119 HIS H 1 119 HIS HB3 . . 3.860 3.558 3.517 3.582 . 0 0 "[ . 1 . 2]" 1 39 1 119 HIS H 1 119 HIS HB2 . . 3.190 2.302 2.218 2.382 . 0 0 "[ . 1 . 2]" 1 40 1 86 PHE HB2 1 119 HIS H . . 4.290 2.921 2.776 3.028 . 0 0 "[ . 1 . 2]" 1 41 1 102 GLY HA2 1 105 ALA H . . 4.010 3.549 3.405 3.672 . 0 0 "[ . 1 . 2]" 1 42 1 101 LYS HA 1 105 ALA H . . 5.500 4.491 4.393 4.745 . 0 0 "[ . 1 . 2]" 1 43 1 104 CYS HB3 1 105 ALA H . . 4.290 3.896 3.467 4.013 . 0 0 "[ . 1 . 2]" 1 44 1 105 ALA H 1 105 ALA MB . . 2.680 2.092 2.024 2.231 . 0 0 "[ . 1 . 2]" 1 45 1 88 LEU H 1 89 ILE H . . 4.930 4.284 4.201 4.465 . 0 0 "[ . 1 . 2]" 1 46 1 88 LEU H 1 119 HIS H . . 5.420 5.084 4.669 5.419 . 0 0 "[ . 1 . 2]" 1 47 1 88 LEU HA 1 89 ILE H . . 2.820 2.145 2.139 2.178 . 0 0 "[ . 1 . 2]" 1 48 1 86 PHE HA 1 119 HIS H . . 4.990 4.646 4.566 4.720 . 0 0 "[ . 1 . 2]" 1 49 1 88 LEU HB3 1 89 ILE H . . 4.680 4.101 3.977 4.356 . 0 0 "[ . 1 . 2]" 1 50 1 89 ILE H 1 89 ILE HB . . 3.340 2.634 2.542 2.760 . 0 0 "[ . 1 . 2]" 1 51 1 89 ILE H 1 89 ILE HG13 . . 3.450 2.851 2.561 3.074 . 0 0 "[ . 1 . 2]" 1 52 1 89 ILE H 1 89 ILE MD . . 3.940 3.515 2.986 3.849 . 0 0 "[ . 1 . 2]" 1 53 1 104 CYS HB2 1 105 ALA H . . 4.290 3.814 2.996 4.071 . 0 0 "[ . 1 . 2]" 1 54 1 35 TRP HH2 1 52 THR H . . 4.100 3.521 3.266 4.096 . 0 0 "[ . 1 . 2]" 1 55 1 35 TRP HZ3 1 52 THR H . . 4.790 4.233 4.050 4.768 . 0 0 "[ . 1 . 2]" 1 56 1 52 THR H 1 53 GLY H . . 4.420 4.322 4.272 4.426 0.006 20 0 "[ . 1 . 2]" 1 57 1 51 GLY HA2 1 52 THR H . . 2.560 2.258 2.214 2.436 . 0 0 "[ . 1 . 2]" 1 58 1 52 THR H 1 52 THR HB . . 3.960 3.890 3.795 3.946 . 0 0 "[ . 1 . 2]" 1 59 1 52 THR H 1 52 THR MG . . 3.520 3.178 2.927 3.345 . 0 0 "[ . 1 . 2]" 1 60 1 101 LYS H 1 103 ALA H . . 4.640 4.010 3.949 4.082 . 0 0 "[ . 1 . 2]" 1 61 1 99 VAL HA 1 103 ALA H . . 5.070 4.912 4.765 5.070 . 14 0 "[ . 1 . 2]" 1 62 1 103 ALA H 1 104 CYS HA . . 5.500 4.998 4.933 5.184 . 0 0 "[ . 1 . 2]" 1 63 1 101 LYS HB2 1 103 ALA H . . 5.500 4.954 4.836 5.067 . 0 0 "[ . 1 . 2]" 1 64 1 101 LYS HB3 1 103 ALA H . . 5.500 5.283 5.212 5.473 . 0 0 "[ . 1 . 2]" 1 65 1 99 VAL MG1 1 103 ALA H . . 4.890 4.867 4.817 4.890 . 0 0 "[ . 1 . 2]" 1 66 1 102 GLY HA3 1 103 ALA H . . 3.270 3.046 2.937 3.074 . 0 0 "[ . 1 . 2]" 1 67 1 73 PHE QD 1 74 CYS H . . 4.210 3.822 3.568 4.021 . 0 0 "[ . 1 . 2]" 1 68 1 73 PHE HA 1 74 CYS H . . 2.760 2.200 2.171 2.221 . 0 0 "[ . 1 . 2]" 1 69 1 73 PHE HB3 1 74 CYS H . . 4.510 4.364 4.315 4.397 . 0 0 "[ . 1 . 2]" 1 70 1 74 CYS H 1 88 LEU HA . . 4.670 4.402 3.952 4.646 . 0 0 "[ . 1 . 2]" 1 71 1 74 CYS H 1 74 CYS HB3 . . 3.700 3.038 2.819 3.250 . 0 0 "[ . 1 . 2]" 1 72 1 60 MET ME 1 74 CYS H . . 4.250 4.051 3.773 4.237 . 0 0 "[ . 1 . 2]" 1 73 1 74 CYS H 1 87 VAL MG2 . . 5.500 4.604 4.433 4.899 . 0 0 "[ . 1 . 2]" 1 74 1 74 CYS H 1 87 VAL HB . . 4.030 3.345 3.033 3.565 . 0 0 "[ . 1 . 2]" 1 75 1 70 MET H 1 91 TRP H . . 4.280 4.224 4.025 4.281 0.001 19 0 "[ . 1 . 2]" 1 76 1 70 MET H 1 91 TRP HD1 . . 3.370 2.375 2.063 2.534 . 0 0 "[ . 1 . 2]" 1 77 1 70 MET H 1 92 THR HA . . 4.140 3.944 3.741 4.134 . 0 0 "[ . 1 . 2]" 1 78 1 70 MET H 1 91 TRP HB3 . . 3.610 2.459 2.193 2.643 . 0 0 "[ . 1 . 2]" 1 79 1 70 MET H 1 70 MET HG3 . . 3.990 2.904 2.798 2.958 . 0 0 "[ . 1 . 2]" 1 80 1 70 MET H 1 91 TRP HB2 . . 4.360 4.192 3.951 4.361 0.001 10 0 "[ . 1 . 2]" 1 81 1 69 VAL HB 1 70 MET H . . 4.660 4.151 4.076 4.283 . 0 0 "[ . 1 . 2]" 1 82 1 70 MET H 1 70 MET HG2 . . 5.190 4.041 3.964 4.138 . 0 0 "[ . 1 . 2]" 1 83 1 70 MET H 1 70 MET HB2 . . 3.820 2.899 2.751 2.964 . 0 0 "[ . 1 . 2]" 1 84 1 46 ASP H 1 47 ILE H . . 4.680 3.245 3.079 3.508 . 0 0 "[ . 1 . 2]" 1 85 1 11 ASN H 1 47 ILE H . . 4.210 3.077 2.771 3.564 . 0 0 "[ . 1 . 2]" 1 86 1 46 ASP HA 1 47 ILE H . . 2.890 2.263 2.179 2.322 . 0 0 "[ . 1 . 2]" 1 87 1 12 LEU HA 1 47 ILE H . . 4.510 3.972 3.440 4.509 . 0 0 "[ . 1 . 2]" 1 88 1 11 ASN HB2 1 47 ILE H . . 5.020 4.860 4.413 5.019 . 0 0 "[ . 1 . 2]" 1 89 1 46 ASP HB2 1 47 ILE H . . 4.640 4.638 4.612 4.642 0.002 18 0 "[ . 1 . 2]" 1 90 1 11 ASN HB3 1 47 ILE H . . 5.020 4.075 3.579 4.474 . 0 0 "[ . 1 . 2]" 1 91 1 46 ASP HB3 1 47 ILE H . . 4.640 4.155 3.980 4.448 . 0 0 "[ . 1 . 2]" 1 92 1 47 ILE H 1 47 ILE HB . . 3.110 2.559 2.508 2.612 . 0 0 "[ . 1 . 2]" 1 93 1 47 ILE H 1 47 ILE HG12 . . 3.300 2.109 1.997 2.277 . 0 0 "[ . 1 . 2]" 1 94 1 47 ILE H 1 47 ILE HG13 . . 3.730 3.596 3.517 3.692 . 0 0 "[ . 1 . 2]" 1 95 1 12 LEU HG 1 47 ILE H . . 4.770 3.534 3.073 4.091 . 0 0 "[ . 1 . 2]" 1 96 1 19 LEU MD1 1 47 ILE H . . 4.870 4.264 3.825 4.552 . 0 0 "[ . 1 . 2]" 1 97 1 12 LEU MD2 1 47 ILE H . . 5.370 4.774 4.122 5.369 . 0 0 "[ . 1 . 2]" 1 98 1 47 ILE H 1 47 ILE MD . . 4.160 3.168 3.008 3.371 . 0 0 "[ . 1 . 2]" 1 99 1 8 MET HA 1 9 ALA H . . 3.200 2.424 2.142 2.967 . 0 0 "[ . 1 . 2]" 1 100 1 8 MET HB2 1 9 ALA H . . 4.450 4.154 3.139 4.471 0.021 1 0 "[ . 1 . 2]" 1 101 1 8 MET HB3 1 9 ALA H . . 4.450 3.757 2.224 4.425 . 0 0 "[ . 1 . 2]" 1 102 1 9 ALA H 1 9 ALA MB . . 2.850 2.642 2.037 2.850 . 0 0 "[ . 1 . 2]" 1 103 1 34 ASP H 1 35 TRP HD1 . . 4.820 3.790 3.557 4.258 . 0 0 "[ . 1 . 2]" 1 104 1 34 ASP H 1 54 GLU HA . . 3.260 2.237 1.951 2.866 . 0 0 "[ . 1 . 2]" 1 105 1 33 THR HA 1 34 ASP H . . 2.980 2.168 2.141 2.218 . 0 0 "[ . 1 . 2]" 1 106 1 34 ASP H 1 54 GLU HG2 . . 4.890 3.326 2.533 4.847 . 0 0 "[ . 1 . 2]" 1 107 1 74 CYS H 1 87 VAL H . . 3.820 3.674 3.405 3.815 . 0 0 "[ . 1 . 2]" 1 108 1 86 PHE QD 1 87 VAL H . . 4.230 3.902 3.763 4.045 . 0 0 "[ . 1 . 2]" 1 109 1 86 PHE HA 1 87 VAL H . . 2.780 2.176 2.141 2.226 . 0 0 "[ . 1 . 2]" 1 110 1 86 PHE HB3 1 87 VAL H . . 4.040 3.162 2.933 3.411 . 0 0 "[ . 1 . 2]" 1 111 1 87 VAL H 1 87 VAL HB . . 3.270 2.689 2.612 2.739 . 0 0 "[ . 1 . 2]" 1 112 1 38 PHE H 1 38 PHE QD . . 3.560 3.053 2.595 3.288 . 0 0 "[ . 1 . 2]" 1 113 1 37 LEU HA 1 38 PHE H . . 2.890 2.239 2.170 2.302 . 0 0 "[ . 1 . 2]" 1 114 1 38 PHE H 1 71 TYR HB2 . . 4.390 3.456 3.299 3.656 . 0 0 "[ . 1 . 2]" 1 115 1 37 LEU HB3 1 38 PHE H . . 4.640 3.307 3.109 3.573 . 0 0 "[ . 1 . 2]" 1 116 1 37 LEU HB2 1 38 PHE H . . 5.010 4.273 4.172 4.410 . 0 0 "[ . 1 . 2]" 1 117 1 38 PHE H 1 50 ALA MB . . 4.370 3.573 3.178 3.958 . 0 0 "[ . 1 . 2]" 1 118 1 38 PHE H 1 71 TYR HB3 . . 4.930 4.788 4.607 4.930 0.000 4 0 "[ . 1 . 2]" 1 119 1 95 GLY H 1 96 VAL H . . 3.060 2.726 2.660 2.840 . 0 0 "[ . 1 . 2]" 1 120 1 96 VAL H 1 97 ASN H . . 4.730 4.485 4.375 4.567 . 0 0 "[ . 1 . 2]" 1 121 1 67 GLY HA2 1 96 VAL H . . 3.730 3.073 1.987 3.417 . 0 0 "[ . 1 . 2]" 1 122 1 94 GLU HA 1 96 VAL H . . 4.160 3.694 3.606 4.141 . 0 0 "[ . 1 . 2]" 1 123 1 93 GLY HA3 1 96 VAL H . . 4.450 3.783 3.626 3.886 . 0 0 "[ . 1 . 2]" 1 124 1 94 GLU HB2 1 96 VAL H . . 5.500 5.144 4.921 5.311 . 0 0 "[ . 1 . 2]" 1 125 1 94 GLU HB3 1 96 VAL H . . 5.500 5.428 5.158 5.500 . 12 0 "[ . 1 . 2]" 1 126 1 96 VAL H 1 96 VAL HB . . 2.830 2.581 2.530 2.693 . 0 0 "[ . 1 . 2]" 1 127 1 96 VAL H 1 96 VAL MG2 . . 3.990 2.350 1.966 3.768 . 0 0 "[ . 1 . 2]" 1 128 1 96 VAL H 1 96 VAL MG1 . . 3.990 3.522 2.042 3.783 . 0 0 "[ . 1 . 2]" 1 129 1 67 GLY H 1 68 LYS HA . . 4.540 4.379 4.356 4.433 . 0 0 "[ . 1 . 2]" 1 130 1 116 LYS H 1 117 GLY H . . 4.680 4.602 4.549 4.629 . 0 0 "[ . 1 . 2]" 1 131 1 116 LYS HG2 1 117 GLY H . . 5.080 3.899 3.788 4.092 . 0 0 "[ . 1 . 2]" 1 132 1 116 LYS HG3 1 117 GLY H . . 5.080 4.617 4.471 4.740 . 0 0 "[ . 1 . 2]" 1 133 1 116 LYS HA 1 117 GLY H . . 2.930 2.504 2.479 2.551 . 0 0 "[ . 1 . 2]" 1 134 1 116 LYS HB3 1 117 GLY H . . 3.760 2.281 2.150 2.391 . 0 0 "[ . 1 . 2]" 1 135 1 116 LYS HD3 1 117 GLY H . . 4.340 3.252 2.724 3.574 . 0 0 "[ . 1 . 2]" 1 136 1 66 SER H 1 67 GLY H . . 4.610 4.244 4.223 4.310 . 0 0 "[ . 1 . 2]" 1 137 1 65 ASN HB3 1 67 GLY H . . 4.650 4.460 4.388 4.650 . 0 0 "[ . 1 . 2]" 1 138 1 69 VAL H 1 70 MET H . . 4.820 4.533 4.466 4.570 . 0 0 "[ . 1 . 2]" 1 139 1 40 TYR QD 1 69 VAL H . . 5.440 4.600 4.330 4.929 . 0 0 "[ . 1 . 2]" 1 140 1 69 VAL H 1 93 GLY H . . 5.500 4.764 4.317 5.340 . 0 0 "[ . 1 . 2]" 1 141 1 69 VAL H 1 91 TRP HD1 . . 5.500 5.158 4.964 5.274 . 0 0 "[ . 1 . 2]" 1 142 1 68 LYS HA 1 69 VAL H . . 2.830 2.203 2.163 2.340 . 0 0 "[ . 1 . 2]" 1 143 1 69 VAL H 1 70 MET HG3 . . 4.640 4.307 4.181 4.453 . 0 0 "[ . 1 . 2]" 1 144 1 69 VAL H 1 69 VAL HB . . 3.120 2.558 2.501 2.632 . 0 0 "[ . 1 . 2]" 1 145 1 121 THR H 1 121 THR HG1 . . 4.230 3.273 2.286 3.879 . 0 0 "[ . 1 . 2]" 1 146 1 120 VAL HA 1 121 THR H . . 2.670 2.191 2.142 2.272 . 0 0 "[ . 1 . 2]" 1 147 1 121 THR H 1 121 THR HB . . 3.100 2.700 2.535 2.868 . 0 0 "[ . 1 . 2]" 1 148 1 120 VAL MG2 1 121 THR H . . 4.250 4.052 3.901 4.210 . 0 0 "[ . 1 . 2]" 1 149 1 121 THR H 1 122 ILE H . . 4.770 4.431 4.245 4.516 . 0 0 "[ . 1 . 2]" 1 150 1 112 ALA H 1 113 SER H . . 3.080 2.834 2.800 2.857 . 0 0 "[ . 1 . 2]" 1 151 1 109 SER HA 1 112 ALA H . . 4.100 3.991 3.770 4.099 . 0 0 "[ . 1 . 2]" 1 152 1 110 THR HB 1 112 ALA H . . 5.180 4.949 4.746 5.121 . 0 0 "[ . 1 . 2]" 1 153 1 108 VAL HA 1 112 ALA H . . 4.610 3.513 3.318 3.776 . 0 0 "[ . 1 . 2]" 1 154 1 111 MET HB2 1 112 ALA H . . 3.520 2.669 2.584 2.840 . 0 0 "[ . 1 . 2]" 1 155 1 112 ALA H 1 112 ALA MB . . 2.720 2.191 2.117 2.235 . 0 0 "[ . 1 . 2]" 1 156 1 111 MET HB3 1 112 ALA H . . 3.840 3.387 3.268 3.530 . 0 0 "[ . 1 . 2]" 1 157 1 97 ASN HB3 1 100 ARG H . . 5.070 4.792 4.689 4.911 . 0 0 "[ . 1 . 2]" 1 158 1 97 ASN HB2 1 100 ARG H . . 4.340 3.553 3.475 3.668 . 0 0 "[ . 1 . 2]" 1 159 1 99 VAL HB 1 100 ARG H . . 3.030 2.948 2.881 2.986 . 0 0 "[ . 1 . 2]" 1 160 1 100 ARG H 1 100 ARG HB2 . . 3.040 2.756 2.684 2.858 . 0 0 "[ . 1 . 2]" 1 161 1 100 ARG H 1 100 ARG HG3 . . 4.500 4.384 4.293 4.415 . 0 0 "[ . 1 . 2]" 1 162 1 99 VAL MG2 1 100 ARG H . . 3.910 3.852 3.820 3.896 . 0 0 "[ . 1 . 2]" 1 163 1 99 VAL MG1 1 100 ARG H . . 4.440 3.829 3.737 3.885 . 0 0 "[ . 1 . 2]" 1 164 1 37 LEU H 1 50 ALA H . . 4.980 4.087 3.897 4.385 . 0 0 "[ . 1 . 2]" 1 165 1 35 TRP HE3 1 37 LEU H . . 3.770 2.943 2.827 3.059 . 0 0 "[ . 1 . 2]" 1 166 1 35 TRP HZ3 1 37 LEU H . . 3.830 2.755 2.531 2.998 . 0 0 "[ . 1 . 2]" 1 167 1 36 ALA HA 1 37 LEU H . . 2.900 2.142 2.141 2.146 . 0 0 "[ . 1 . 2]" 1 168 1 37 LEU H 1 49 VAL HA . . 5.500 5.368 5.127 5.501 0.001 18 0 "[ . 1 . 2]" 1 169 1 37 LEU H 1 52 THR HB . . 5.500 5.411 5.268 5.501 0.001 16 0 "[ . 1 . 2]" 1 170 1 37 LEU H 1 52 THR HA . . 3.840 3.612 3.425 3.824 . 0 0 "[ . 1 . 2]" 1 171 1 37 LEU H 1 37 LEU HB3 . . 3.370 3.151 3.043 3.372 0.002 8 0 "[ . 1 . 2]" 1 172 1 37 LEU H 1 37 LEU HB2 . . 3.440 2.294 2.228 2.359 . 0 0 "[ . 1 . 2]" 1 173 1 36 ALA MB 1 37 LEU H . . 3.350 3.225 3.159 3.254 . 0 0 "[ . 1 . 2]" 1 174 1 37 LEU H 1 52 THR MG . . 3.780 3.041 2.802 3.486 . 0 0 "[ . 1 . 2]" 1 175 1 37 LEU H 1 37 LEU MD2 . . 5.230 4.268 3.218 4.385 . 0 0 "[ . 1 . 2]" 1 176 1 91 TRP HH2 1 127 GLU H . . 3.970 2.867 2.381 3.362 . 0 0 "[ . 1 . 2]" 1 177 1 126 ALA HA 1 127 GLU H . . 2.880 2.433 2.373 2.520 . 0 0 "[ . 1 . 2]" 1 178 1 127 GLU H 1 129 ASP H . . 5.350 4.087 4.042 4.158 . 0 0 "[ . 1 . 2]" 1 179 1 127 GLU H 1 127 GLU HB2 . . 2.950 2.149 2.090 2.241 . 0 0 "[ . 1 . 2]" 1 180 1 127 GLU H 1 130 VAL MG2 . . 4.730 4.091 4.079 4.164 . 0 0 "[ . 1 . 2]" 1 181 1 10 ALA H 1 11 ASN H . . 4.640 4.602 4.483 4.640 0.000 17 0 "[ . 1 . 2]" 1 182 1 10 ALA H 1 107 HIS HD2 . . 3.790 3.646 3.171 3.790 . 9 0 "[ . 1 . 2]" 1 183 1 9 ALA HA 1 10 ALA H . . 2.810 2.371 2.195 2.572 . 0 0 "[ . 1 . 2]" 1 184 1 9 ALA MB 1 10 ALA H . . 3.160 2.572 2.235 2.932 . 0 0 "[ . 1 . 2]" 1 185 1 10 ALA H 1 110 THR MG . . 4.590 4.002 3.309 4.575 . 0 0 "[ . 1 . 2]" 1 186 1 10 ALA H 1 10 ALA MB . . 2.970 2.098 2.025 2.232 . 0 0 "[ . 1 . 2]" 1 187 1 78 ASP HA 1 83 LEU H . . 5.220 5.091 4.946 5.197 . 0 0 "[ . 1 . 2]" 1 188 1 48 ARG H 1 49 VAL H . . 4.800 4.386 4.256 4.461 . 0 0 "[ . 1 . 2]" 1 189 1 49 VAL H 1 50 ALA H . . 5.120 4.597 4.499 4.627 . 0 0 "[ . 1 . 2]" 1 190 1 15 ASN HD21 1 49 VAL H . . 5.500 5.223 4.475 5.498 . 0 0 "[ . 1 . 2]" 1 191 1 48 ARG HA 1 49 VAL H . . 3.140 2.396 2.195 2.681 . 0 0 "[ . 1 . 2]" 1 192 1 48 ARG HB2 1 49 VAL H . . 3.290 2.519 2.080 3.048 . 0 0 "[ . 1 . 2]" 1 193 1 18 ALA MB 1 49 VAL H . . 4.440 3.579 3.094 3.932 . 0 0 "[ . 1 . 2]" 1 194 1 49 VAL H 1 49 VAL MG1 . . 3.990 3.434 1.990 3.778 . 0 0 "[ . 1 . 2]" 1 195 1 19 LEU MD2 1 49 VAL H . . 3.860 2.547 2.094 3.125 . 0 0 "[ . 1 . 2]" 1 196 1 49 VAL H 1 49 VAL MG2 . . 3.990 2.542 1.965 3.770 . 0 0 "[ . 1 . 2]" 1 197 1 39 THR HG1 1 40 TYR H . . 4.270 1.964 1.949 2.055 . 0 0 "[ . 1 . 2]" 1 198 1 39 THR HB 1 40 TYR H . . 4.000 3.767 3.724 3.788 . 0 0 "[ . 1 . 2]" 1 199 1 40 TYR H 1 40 TYR HB3 . . 3.610 3.589 3.575 3.604 . 0 0 "[ . 1 . 2]" 1 200 1 40 TYR H 1 70 MET HG2 . . 4.770 4.358 4.116 4.489 . 0 0 "[ . 1 . 2]" 1 201 1 39 THR MG 1 40 TYR H . . 3.190 3.188 3.164 3.191 0.001 17 0 "[ . 1 . 2]" 1 202 1 112 ALA HA 1 115 LEU H . . 3.900 3.834 3.716 3.900 0.000 15 0 "[ . 1 . 2]" 1 203 1 114 PHE HB3 1 115 LEU H . . 3.310 2.409 2.262 2.611 . 0 0 "[ . 1 . 2]" 1 204 1 115 LEU H 1 115 LEU HB2 . . 3.230 2.520 2.477 2.589 . 0 0 "[ . 1 . 2]" 1 205 1 112 ALA MB 1 115 LEU H . . 5.120 4.915 4.813 5.029 . 0 0 "[ . 1 . 2]" 1 206 1 115 LEU H 1 115 LEU HG . . 3.160 2.398 2.220 2.586 . 0 0 "[ . 1 . 2]" 1 207 1 115 LEU H 1 115 LEU MD1 . . 3.910 3.637 3.493 3.773 . 0 0 "[ . 1 . 2]" 1 208 1 115 LEU H 1 115 LEU MD2 . . 3.990 3.460 3.156 3.668 . 0 0 "[ . 1 . 2]" 1 209 1 78 ASP H 1 83 LEU H . . 3.920 2.903 2.691 3.029 . 0 0 "[ . 1 . 2]" 1 210 1 81 SER HG 1 83 LEU H . . 4.540 3.590 1.949 4.540 . 0 0 "[ . 1 . 2]" 1 211 1 81 SER HB2 1 83 LEU H . . 4.160 3.285 2.237 4.148 . 0 0 "[ . 1 . 2]" 1 212 1 81 SER HB3 1 83 LEU H . . 4.160 3.354 2.186 3.912 . 0 0 "[ . 1 . 2]" 1 213 1 78 ASP HB2 1 83 LEU H . . 4.520 2.774 2.422 3.051 . 0 0 "[ . 1 . 2]" 1 214 1 78 ASP HB3 1 83 LEU H . . 4.520 3.703 3.439 3.989 . 0 0 "[ . 1 . 2]" 1 215 1 83 LEU H 1 84 PRO HD2 . . 5.140 4.878 4.781 5.052 . 0 0 "[ . 1 . 2]" 1 216 1 76 VAL H 1 85 LYS H . . 3.670 3.504 3.141 3.654 . 0 0 "[ . 1 . 2]" 1 217 1 85 LYS H 1 86 PHE H . . 4.820 4.488 4.376 4.541 . 0 0 "[ . 1 . 2]" 1 218 1 84 PRO HA 1 85 LYS H . . 2.670 2.172 2.150 2.201 . 0 0 "[ . 1 . 2]" 1 219 1 77 LYS HA 1 85 LYS H . . 3.740 2.811 2.538 3.094 . 0 0 "[ . 1 . 2]" 1 220 1 76 VAL HB 1 85 LYS H . . 5.500 5.437 5.278 5.501 0.001 6 0 "[ . 1 . 2]" 1 221 1 85 LYS H 1 136 MET ME . . 5.500 5.489 5.374 5.501 0.001 15 0 "[ . 1 . 2]" 1 222 1 84 PRO HB2 1 85 LYS H . . 4.320 3.927 3.721 4.163 . 0 0 "[ . 1 . 2]" 1 223 1 84 PRO HB3 1 85 LYS H . . 4.320 4.116 3.675 4.298 . 0 0 "[ . 1 . 2]" 1 224 1 85 LYS H 1 85 LYS HB2 . . 3.290 2.565 2.486 2.668 . 0 0 "[ . 1 . 2]" 1 225 1 85 LYS H 1 85 LYS HG3 . . 3.970 3.410 3.235 3.668 . 0 0 "[ . 1 . 2]" 1 226 1 85 LYS H 1 85 LYS HG2 . . 3.890 2.981 2.742 3.431 . 0 0 "[ . 1 . 2]" 1 227 1 76 VAL MG2 1 85 LYS H . . 3.910 3.835 3.682 3.911 0.001 18 0 "[ . 1 . 2]" 1 228 1 40 TYR H 1 40 TYR QD . . 3.200 2.049 1.948 2.284 . 0 0 "[ . 1 . 2]" 1 229 1 40 TYR H 1 70 MET HA . . 4.860 4.761 4.522 4.860 . 0 0 "[ . 1 . 2]" 1 230 1 40 TYR H 1 40 TYR HB2 . . 3.190 2.454 2.373 2.557 . 0 0 "[ . 1 . 2]" 1 231 1 40 TYR H 1 40 TYR QE . . 4.540 4.127 4.004 4.299 . 0 0 "[ . 1 . 2]" 1 232 1 128 GLU H 1 130 VAL H . . 4.730 4.265 4.002 4.289 . 0 0 "[ . 1 . 2]" 1 233 1 128 GLU HA 1 130 VAL H . . 4.250 3.551 3.518 4.098 . 0 0 "[ . 1 . 2]" 1 234 1 127 GLU HA 1 130 VAL H . . 4.140 4.025 3.171 4.072 . 0 0 "[ . 1 . 2]" 1 235 1 129 ASP HB2 1 130 VAL H . . 4.050 4.008 3.166 4.054 0.004 17 0 "[ . 1 . 2]" 1 236 1 129 ASP HB3 1 130 VAL H . . 4.370 4.335 3.650 4.372 0.002 16 0 "[ . 1 . 2]" 1 237 1 130 VAL H 1 130 VAL HB . . 3.970 3.929 3.739 3.943 . 0 0 "[ . 1 . 2]" 1 238 1 127 GLU HB3 1 130 VAL H . . 5.390 5.284 4.871 5.327 . 0 0 "[ . 1 . 2]" 1 239 1 130 VAL H 1 131 GLU HB2 . . 4.510 3.605 3.518 4.426 . 0 0 "[ . 1 . 2]" 1 240 1 124 ALA MB 1 130 VAL H . . 4.420 4.210 3.525 4.264 . 0 0 "[ . 1 . 2]" 1 241 1 130 VAL H 1 130 VAL MG1 . . 3.480 3.108 2.731 3.165 . 0 0 "[ . 1 . 2]" 1 242 1 94 GLU H 1 96 VAL H . . 4.820 4.156 3.805 4.310 . 0 0 "[ . 1 . 2]" 1 243 1 91 TRP HZ2 1 94 GLU H . . 5.370 5.226 4.821 5.370 0.000 8 0 "[ . 1 . 2]" 1 244 1 66 SER HA 1 94 GLU H . . 4.180 3.984 3.308 4.172 . 0 0 "[ . 1 . 2]" 1 245 1 67 GLY HA2 1 94 GLU H . . 4.770 4.501 4.108 4.769 . 0 0 "[ . 1 . 2]" 1 246 1 93 GLY HA3 1 94 GLU H . . 3.390 2.972 2.622 3.166 . 0 0 "[ . 1 . 2]" 1 247 1 93 GLY HA2 1 94 GLU H . . 3.020 2.249 2.150 2.506 . 0 0 "[ . 1 . 2]" 1 248 1 41 GLU H 1 48 ARG H . . 5.070 4.737 4.383 5.063 . 0 0 "[ . 1 . 2]" 1 249 1 40 TYR HA 1 41 GLU H . . 2.840 2.422 2.310 2.462 . 0 0 "[ . 1 . 2]" 1 250 1 40 TYR HB3 1 41 GLU H . . 3.530 2.394 2.295 2.663 . 0 0 "[ . 1 . 2]" 1 251 1 41 GLU H 1 41 GLU HB3 . . 3.350 3.132 2.789 3.326 . 0 0 "[ . 1 . 2]" 1 252 1 41 GLU H 1 41 GLU HB2 . . 3.350 2.165 2.096 2.390 . 0 0 "[ . 1 . 2]" 1 253 1 46 ASP H 1 47 ILE HG12 . . 4.350 3.961 3.654 4.200 . 0 0 "[ . 1 . 2]" 1 254 1 97 ASN HA 1 99 VAL H . . 4.610 4.415 4.125 4.597 . 0 0 "[ . 1 . 2]" 1 255 1 97 ASN HB3 1 99 VAL H . . 4.780 4.402 4.186 4.539 . 0 0 "[ . 1 . 2]" 1 256 1 98 ASP HB2 1 99 VAL H . . 4.210 2.932 2.549 3.633 . 0 0 "[ . 1 . 2]" 1 257 1 98 ASP HB3 1 99 VAL H . . 4.210 3.481 2.665 4.133 . 0 0 "[ . 1 . 2]" 1 258 1 99 VAL H 1 99 VAL HB . . 2.840 2.663 2.635 2.681 . 0 0 "[ . 1 . 2]" 1 259 1 99 VAL H 1 100 ARG HB3 . . 5.020 4.965 4.881 5.017 . 0 0 "[ . 1 . 2]" 1 260 1 99 VAL H 1 100 ARG HB2 . . 5.500 5.153 5.015 5.316 . 0 0 "[ . 1 . 2]" 1 261 1 99 VAL H 1 99 VAL MG2 . . 2.940 2.032 1.924 2.163 . 0 0 "[ . 1 . 2]" 1 262 1 99 VAL H 1 99 VAL MG1 . . 3.780 3.759 3.756 3.763 . 0 0 "[ . 1 . 2]" 1 263 1 114 PHE H 1 115 LEU H . . 2.910 2.827 2.738 2.910 0.000 17 0 "[ . 1 . 2]" 1 264 1 111 MET HA 1 114 PHE H . . 3.630 3.307 3.166 3.414 . 0 0 "[ . 1 . 2]" 1 265 1 113 SER HB2 1 114 PHE H . . 3.910 3.162 2.751 3.870 . 0 0 "[ . 1 . 2]" 1 266 1 113 SER HB3 1 114 PHE H . . 3.910 3.014 2.468 3.481 . 0 0 "[ . 1 . 2]" 1 267 1 114 PHE H 1 114 PHE HB2 . . 3.090 2.641 2.605 2.680 . 0 0 "[ . 1 . 2]" 1 268 1 114 PHE H 1 114 PHE HB3 . . 2.910 2.426 2.396 2.462 . 0 0 "[ . 1 . 2]" 1 269 1 114 PHE H 1 115 LEU HB2 . . 5.280 5.155 5.043 5.260 . 0 0 "[ . 1 . 2]" 1 270 1 112 ALA MB 1 114 PHE H . . 4.680 4.516 4.404 4.627 . 0 0 "[ . 1 . 2]" 1 271 1 114 PHE H 1 115 LEU HG . . 4.830 4.730 4.539 4.830 0.000 15 0 "[ . 1 . 2]" 1 272 1 76 VAL H 1 86 PHE HA . . 4.250 3.980 3.723 4.251 0.001 6 0 "[ . 1 . 2]" 1 273 1 75 ARG HB2 1 76 VAL H . . 4.510 4.388 4.360 4.407 . 0 0 "[ . 1 . 2]" 1 274 1 75 ARG HG2 1 76 VAL H . . 3.810 3.103 2.975 3.393 . 0 0 "[ . 1 . 2]" 1 275 1 75 ARG HG3 1 76 VAL H . . 4.300 4.190 3.821 4.301 0.001 6 0 "[ . 1 . 2]" 1 276 1 76 VAL H 1 76 VAL MG1 . . 3.740 3.015 2.874 3.157 . 0 0 "[ . 1 . 2]" 1 277 1 76 VAL H 1 76 VAL MG2 . . 3.210 2.210 2.006 2.304 . 0 0 "[ . 1 . 2]" 1 278 1 76 VAL H 1 86 PHE QD . . 4.980 4.698 4.268 4.951 . 0 0 "[ . 1 . 2]" 1 279 1 75 ARG HB3 1 76 VAL H . . 4.510 4.373 4.354 4.394 . 0 0 "[ . 1 . 2]" 1 280 1 10 ALA HA 1 46 ASP H . . 5.500 4.510 4.130 4.920 . 0 0 "[ . 1 . 2]" 1 281 1 40 TYR QD 1 46 ASP H . . 4.280 2.115 1.950 2.565 . 0 0 "[ . 1 . 2]" 1 282 1 45 ASN HB2 1 46 ASP H . . 4.870 4.281 4.218 4.391 . 0 0 "[ . 1 . 2]" 1 283 1 97 ASN HB2 1 99 VAL H . . 4.640 2.654 2.436 2.793 . 0 0 "[ . 1 . 2]" 1 284 1 86 PHE H 1 119 HIS HB2 . . 4.520 3.249 2.830 3.472 . 0 0 "[ . 1 . 2]" 1 285 1 85 LYS HB3 1 86 PHE H . . 4.050 2.716 2.170 3.303 . 0 0 "[ . 1 . 2]" 1 286 1 15 ASN H 1 16 GLY H . . 3.220 2.951 2.573 3.110 . 0 0 "[ . 1 . 2]" 1 287 1 13 SER H 1 16 GLY H . . 5.250 5.025 4.465 5.250 0.000 11 0 "[ . 1 . 2]" 1 288 1 14 ARG H 1 16 GLY H . . 5.450 4.320 4.020 4.524 . 0 0 "[ . 1 . 2]" 1 289 1 16 GLY H 1 18 ALA H . . 4.820 4.180 4.073 4.324 . 0 0 "[ . 1 . 2]" 1 290 1 15 ASN HA 1 16 GLY H . . 3.520 2.812 2.712 3.010 . 0 0 "[ . 1 . 2]" 1 291 1 13 SER HA 1 16 GLY H . . 3.880 3.760 3.384 3.879 . 0 0 "[ . 1 . 2]" 1 292 1 16 GLY H 1 16 GLY HA3 . . 2.890 2.297 2.295 2.298 . 0 0 "[ . 1 . 2]" 1 293 1 14 ARG HA 1 16 GLY H . . 4.270 4.033 3.688 4.167 . 0 0 "[ . 1 . 2]" 1 294 1 15 ASN HB2 1 16 GLY H . . 4.930 4.223 4.003 4.322 . 0 0 "[ . 1 . 2]" 1 295 1 15 ASN HB3 1 16 GLY H . . 4.930 4.559 4.525 4.659 . 0 0 "[ . 1 . 2]" 1 296 1 16 GLY H 1 17 PRO HB2 . . 5.500 5.452 5.402 5.499 . 0 0 "[ . 1 . 2]" 1 297 1 16 GLY H 1 19 LEU HB2 . . 5.500 5.353 5.056 5.503 0.003 10 0 "[ . 1 . 2]" 1 298 1 14 ARG HB2 1 16 GLY H . . 5.500 4.927 4.770 5.069 . 0 0 "[ . 1 . 2]" 1 299 1 14 ARG HB3 1 16 GLY H . . 5.500 5.279 5.164 5.454 . 0 0 "[ . 1 . 2]" 1 300 1 16 GLY H 1 19 LEU HG . . 5.500 5.392 5.082 5.501 0.001 15 0 "[ . 1 . 2]" 1 301 1 16 GLY H 1 19 LEU MD1 . . 4.390 3.955 3.661 4.130 . 0 0 "[ . 1 . 2]" 1 302 1 76 VAL HA 1 77 LYS H . . 2.720 2.420 2.232 2.563 . 0 0 "[ . 1 . 2]" 1 303 1 76 VAL HB 1 77 LYS H . . 3.110 2.367 2.052 2.852 . 0 0 "[ . 1 . 2]" 1 304 1 77 LYS H 1 77 LYS HB3 . . 3.010 2.795 2.496 3.007 . 0 0 "[ . 1 . 2]" 1 305 1 77 LYS H 1 77 LYS HG3 . . 4.160 3.209 2.658 3.559 . 0 0 "[ . 1 . 2]" 1 306 1 77 LYS H 1 77 LYS HG2 . . 4.160 2.129 1.983 2.294 . 0 0 "[ . 1 . 2]" 1 307 1 76 VAL MG1 1 77 LYS H . . 3.910 3.641 3.530 3.885 . 0 0 "[ . 1 . 2]" 1 308 1 94 GLU HG3 1 95 GLY H . . 4.870 3.323 2.037 4.869 . 0 0 "[ . 1 . 2]" 1 309 1 94 GLU HG2 1 95 GLY H . . 4.870 3.143 1.983 4.820 . 0 0 "[ . 1 . 2]" 1 310 1 66 SER HA 1 95 GLY H . . 4.830 4.721 4.159 4.830 . 0 0 "[ . 1 . 2]" 1 311 1 67 GLY HA2 1 95 GLY H . . 3.200 2.838 2.499 3.158 . 0 0 "[ . 1 . 2]" 1 312 1 93 GLY HA3 1 95 GLY H . . 4.030 3.489 3.319 3.669 . 0 0 "[ . 1 . 2]" 1 313 1 93 GLY HA2 1 95 GLY H . . 4.450 3.990 3.803 4.405 . 0 0 "[ . 1 . 2]" 1 314 1 94 GLU HB2 1 95 GLY H . . 4.720 3.632 2.737 4.072 . 0 0 "[ . 1 . 2]" 1 315 1 94 GLU HB3 1 95 GLY H . . 4.720 3.948 3.740 4.070 . 0 0 "[ . 1 . 2]" 1 316 1 95 GLY H 1 96 VAL HB . . 5.470 5.113 5.039 5.296 . 0 0 "[ . 1 . 2]" 1 317 1 65 ASN H 1 91 TRP HE1 . . 3.670 3.012 2.780 3.229 . 0 0 "[ . 1 . 2]" 1 318 1 65 ASN H 1 91 TRP HD1 . . 4.540 4.193 4.033 4.450 . 0 0 "[ . 1 . 2]" 1 319 1 64 LEU HA 1 65 ASN H . . 2.710 2.147 2.140 2.186 . 0 0 "[ . 1 . 2]" 1 320 1 65 ASN H 1 70 MET HG3 . . 4.510 4.440 4.155 4.510 . 14 0 "[ . 1 . 2]" 1 321 1 65 ASN H 1 65 ASN HB2 . . 2.860 2.392 2.262 2.550 . 0 0 "[ . 1 . 2]" 1 322 1 65 ASN H 1 70 MET HG2 . . 5.320 5.211 4.962 5.319 . 0 0 "[ . 1 . 2]" 1 323 1 65 ASN H 1 70 MET ME . . 4.010 3.749 3.472 3.972 . 0 0 "[ . 1 . 2]" 1 324 1 64 LEU HG 1 65 ASN H . . 5.370 5.085 4.887 5.274 . 0 0 "[ . 1 . 2]" 1 325 1 64 LEU HB2 1 65 ASN H . . 4.380 4.304 4.118 4.381 0.001 8 0 "[ . 1 . 2]" 1 326 1 64 LEU HB3 1 65 ASN H . . 3.760 3.387 3.072 3.677 . 0 0 "[ . 1 . 2]" 1 327 1 134 CYS HB2 1 135 ILE H . . 3.750 3.435 3.234 3.579 . 0 0 "[ . 1 . 2]" 1 328 1 134 CYS HB3 1 135 ILE H . . 3.920 3.273 3.151 3.476 . 0 0 "[ . 1 . 2]" 1 329 1 135 ILE H 1 136 MET HB2 . . 4.320 4.110 4.073 4.222 . 0 0 "[ . 1 . 2]" 1 330 1 135 ILE H 1 135 ILE HB . . 3.060 2.522 2.513 2.530 . 0 0 "[ . 1 . 2]" 1 331 1 135 ILE H 1 135 ILE HG13 . . 3.040 2.519 2.385 2.693 . 0 0 "[ . 1 . 2]" 1 332 1 57 LEU MD1 1 135 ILE H . . 5.500 4.724 4.365 5.099 . 0 0 "[ . 1 . 2]" 1 333 1 135 ILE H 1 135 ILE MD . . 3.580 3.369 2.935 3.514 . 0 0 "[ . 1 . 2]" 1 334 1 97 ASN HA 1 98 ASP H . . 3.420 2.454 2.226 2.588 . 0 0 "[ . 1 . 2]" 1 335 1 97 ASN HB3 1 98 ASP H . . 4.060 3.544 3.415 3.823 . 0 0 "[ . 1 . 2]" 1 336 1 132 PRO HA 1 135 ILE H . . 4.040 3.843 3.778 4.041 0.001 4 0 "[ . 1 . 2]" 1 337 1 136 MET H 1 137 GLU H . . 3.330 2.633 2.551 2.689 . 0 0 "[ . 1 . 2]" 1 338 1 134 CYS HA 1 137 GLU H . . 4.060 4.021 3.826 4.061 0.001 20 0 "[ . 1 . 2]" 1 339 1 136 MET HG2 1 137 GLU H . . 4.870 4.867 4.856 4.871 0.001 5 0 "[ . 1 . 2]" 1 340 1 137 GLU H 1 137 GLU HG2 . . 5.070 3.505 2.988 4.588 . 0 0 "[ . 1 . 2]" 1 341 1 137 GLU H 1 137 GLU HG3 . . 5.070 3.785 3.058 4.352 . 0 0 "[ . 1 . 2]" 1 342 1 137 GLU H 1 137 GLU HB2 . . 3.480 2.166 2.103 2.677 . 0 0 "[ . 1 . 2]" 1 343 1 125 ARG HB2 1 126 ALA H . . 4.490 2.675 2.561 3.781 . 0 0 "[ . 1 . 2]" 1 344 1 126 ALA H 1 130 VAL MG2 . . 5.500 5.009 4.960 5.044 . 0 0 "[ . 1 . 2]" 1 345 1 126 ALA H 1 127 GLU H . . 4.640 4.540 4.497 4.563 . 0 0 "[ . 1 . 2]" 1 346 1 125 ARG H 1 126 ALA H . . 2.600 1.900 1.899 1.901 . 0 0 "[ . 1 . 2]" 1 347 1 91 TRP HZ3 1 126 ALA H . . 4.220 4.162 3.875 4.220 0.000 19 0 "[ . 1 . 2]" 1 348 1 126 ALA H 1 129 ASP HB2 . . 3.470 2.593 2.476 2.670 . 0 0 "[ . 1 . 2]" 1 349 1 126 ALA H 1 126 ALA MB . . 2.920 2.268 2.198 2.407 . 0 0 "[ . 1 . 2]" 1 350 1 15 ASN HA 1 18 ALA H . . 4.340 3.530 3.353 3.656 . 0 0 "[ . 1 . 2]" 1 351 1 16 GLY HA3 1 18 ALA H . . 4.750 4.492 4.357 4.666 . 0 0 "[ . 1 . 2]" 1 352 1 18 ALA H 1 19 LEU HG . . 4.910 4.800 4.432 4.911 0.001 16 0 "[ . 1 . 2]" 1 353 1 18 ALA H 1 19 LEU H . . 3.010 2.875 2.773 2.975 . 0 0 "[ . 1 . 2]" 1 354 1 17 PRO HD2 1 18 ALA H . . 3.480 2.878 2.799 2.980 . 0 0 "[ . 1 . 2]" 1 355 1 17 PRO HB3 1 18 ALA H . . 4.130 3.908 3.787 4.025 . 0 0 "[ . 1 . 2]" 1 356 1 17 PRO HB2 1 18 ALA H . . 3.210 2.526 2.346 2.704 . 0 0 "[ . 1 . 2]" 1 357 1 18 ALA H 1 18 ALA MB . . 2.730 2.163 2.027 2.234 . 0 0 "[ . 1 . 2]" 1 358 1 109 SER H 1 110 THR H . . 3.950 2.671 2.541 2.751 . 0 0 "[ . 1 . 2]" 1 359 1 110 THR H 1 110 THR HB . . 3.300 2.531 2.489 2.665 . 0 0 "[ . 1 . 2]" 1 360 1 110 THR H 1 110 THR HG1 . . 4.150 3.132 2.109 3.694 . 0 0 "[ . 1 . 2]" 1 361 1 129 ASP H 1 131 GLU H . . 4.650 4.635 4.459 4.651 0.001 20 0 "[ . 1 . 2]" 1 362 1 130 VAL H 1 131 GLU H . . 2.930 2.095 2.030 2.932 0.002 4 0 "[ . 1 . 2]" 1 363 1 129 ASP HA 1 131 GLU H . . 4.570 3.856 3.852 3.870 . 0 0 "[ . 1 . 2]" 1 364 1 130 VAL HA 1 131 GLU H . . 3.370 2.967 2.791 2.988 . 0 0 "[ . 1 . 2]" 1 365 1 128 GLU HA 1 131 GLU H . . 4.500 4.235 4.199 4.309 . 0 0 "[ . 1 . 2]" 1 366 1 131 GLU H 1 134 CYS HB2 . . 4.020 2.292 2.132 2.457 . 0 0 "[ . 1 . 2]" 1 367 1 131 GLU H 1 134 CYS HB3 . . 4.440 2.752 2.345 2.975 . 0 0 "[ . 1 . 2]" 1 368 1 131 GLU H 1 131 GLU HG3 . . 4.680 4.026 3.836 4.065 . 0 0 "[ . 1 . 2]" 1 369 1 130 VAL HB 1 131 GLU H . . 4.760 4.446 4.439 4.452 . 0 0 "[ . 1 . 2]" 1 370 1 131 GLU H 1 131 GLU HB2 . . 2.970 2.103 2.090 2.124 . 0 0 "[ . 1 . 2]" 1 371 1 130 VAL MG2 1 131 GLU H . . 3.740 3.525 3.501 3.630 . 0 0 "[ . 1 . 2]" 1 372 1 131 GLU H 1 135 ILE HG13 . . 4.930 3.999 3.519 4.496 . 0 0 "[ . 1 . 2]" 1 373 1 35 TRP HE1 1 53 GLY H . . 4.640 3.775 3.500 4.369 . 0 0 "[ . 1 . 2]" 1 374 1 34 ASP H 1 53 GLY H . . 4.390 3.775 3.392 4.072 . 0 0 "[ . 1 . 2]" 1 375 1 35 TRP H 1 53 GLY H . . 3.520 3.199 3.076 3.396 . 0 0 "[ . 1 . 2]" 1 376 1 35 TRP HE3 1 53 GLY H . . 5.220 4.463 4.068 4.781 . 0 0 "[ . 1 . 2]" 1 377 1 35 TRP HH2 1 53 GLY H . . 5.500 4.782 4.453 5.015 . 0 0 "[ . 1 . 2]" 1 378 1 35 TRP HZ3 1 53 GLY H . . 5.300 4.971 4.556 5.256 . 0 0 "[ . 1 . 2]" 1 379 1 36 ALA HA 1 53 GLY H . . 4.470 4.139 4.048 4.424 . 0 0 "[ . 1 . 2]" 1 380 1 52 THR MG 1 53 GLY H . . 4.030 3.767 3.568 3.972 . 0 0 "[ . 1 . 2]" 1 381 1 53 GLY H 1 54 GLU H . . 4.570 4.389 4.356 4.412 . 0 0 "[ . 1 . 2]" 1 382 1 118 ALA H 1 119 HIS H . . 4.570 4.352 4.316 4.516 . 0 0 "[ . 1 . 2]" 1 383 1 73 PHE QE 1 118 ALA H . . 4.010 3.753 3.555 4.010 0.000 7 0 "[ . 1 . 2]" 1 384 1 73 PHE HZ 1 118 ALA H . . 4.640 4.438 4.221 4.641 0.001 10 0 "[ . 1 . 2]" 1 385 1 116 LYS HA 1 118 ALA H . . 3.790 3.117 3.096 3.130 . 0 0 "[ . 1 . 2]" 1 386 1 86 PHE HB3 1 118 ALA H . . 4.930 4.427 4.245 4.879 . 0 0 "[ . 1 . 2]" 1 387 1 118 ALA H 1 118 ALA MB . . 2.810 2.220 2.172 2.236 . 0 0 "[ . 1 . 2]" 1 388 1 138 LYS H 1 140 ALA H . . 4.770 4.006 3.942 4.054 . 0 0 "[ . 1 . 2]" 1 389 1 139 VAL HB 1 140 ALA H . . 3.630 2.738 2.663 2.830 . 0 0 "[ . 1 . 2]" 1 390 1 139 VAL MG1 1 140 ALA H . . 3.990 3.584 3.516 3.649 . 0 0 "[ . 1 . 2]" 1 391 1 107 HIS H 1 109 SER H . . 4.930 4.216 4.008 4.336 . 0 0 "[ . 1 . 2]" 1 392 1 107 HIS H 1 108 VAL H . . 2.880 2.421 2.322 2.470 . 0 0 "[ . 1 . 2]" 1 393 1 107 HIS H 1 107 HIS HD2 . . 3.460 2.651 2.275 3.077 . 0 0 "[ . 1 . 2]" 1 394 1 105 ALA HA 1 107 HIS H . . 4.400 3.974 3.808 4.129 . 0 0 "[ . 1 . 2]" 1 395 1 107 HIS H 1 107 HIS HB2 . . 3.060 2.334 2.205 2.403 . 0 0 "[ . 1 . 2]" 1 396 1 107 HIS H 1 108 VAL HA . . 5.030 5.015 4.935 5.030 . 0 0 "[ . 1 . 2]" 1 397 1 104 CYS HA 1 107 HIS H . . 3.760 3.367 3.112 3.564 . 0 0 "[ . 1 . 2]" 1 398 1 107 HIS H 1 107 HIS HB3 . . 3.660 3.573 3.507 3.597 . 0 0 "[ . 1 . 2]" 1 399 1 25 ARG H 1 25 ARG HD2 . . 4.450 3.610 3.293 4.456 0.006 14 0 "[ . 1 . 2]" 1 400 1 98 ASP HA 1 102 GLY H . . 4.520 4.214 3.992 4.434 . 0 0 "[ . 1 . 2]" 1 401 1 100 ARG HA 1 102 GLY H . . 4.470 4.092 3.963 4.294 . 0 0 "[ . 1 . 2]" 1 402 1 102 GLY H 1 102 GLY HA3 . . 2.840 2.323 2.301 2.334 . 0 0 "[ . 1 . 2]" 1 403 1 101 LYS HB2 1 102 GLY H . . 3.130 2.844 2.556 3.029 . 0 0 "[ . 1 . 2]" 1 404 1 100 ARG HG3 1 102 GLY H . . 5.500 5.269 5.151 5.446 . 0 0 "[ . 1 . 2]" 1 405 1 101 LYS HG2 1 102 GLY H . . 5.230 5.052 4.773 5.179 . 0 0 "[ . 1 . 2]" 1 406 1 99 VAL MG1 1 102 GLY H . . 5.500 5.045 4.917 5.205 . 0 0 "[ . 1 . 2]" 1 407 1 50 ALA H 1 51 GLY H . . 2.860 2.032 1.899 2.546 . 0 0 "[ . 1 . 2]" 1 408 1 37 LEU H 1 51 GLY H . . 3.540 3.008 2.945 3.080 . 0 0 "[ . 1 . 2]" 1 409 1 35 TRP HE3 1 51 GLY H . . 5.500 5.496 5.438 5.505 0.005 15 0 "[ . 1 . 2]" 1 410 1 35 TRP HH2 1 51 GLY H . . 5.500 5.141 4.752 5.501 0.001 18 0 "[ . 1 . 2]" 1 411 1 35 TRP HZ3 1 51 GLY H . . 4.450 3.874 3.718 4.033 . 0 0 "[ . 1 . 2]" 1 412 1 38 PHE HA 1 51 GLY H . . 4.670 4.444 4.346 4.670 . 0 0 "[ . 1 . 2]" 1 413 1 49 VAL HA 1 51 GLY H . . 3.970 3.948 3.855 3.973 0.003 15 0 "[ . 1 . 2]" 1 414 1 49 VAL HB 1 51 GLY H . . 5.370 5.051 4.806 5.148 . 0 0 "[ . 1 . 2]" 1 415 1 51 GLY H 1 70 MET ME . . 5.500 5.034 4.866 5.376 . 0 0 "[ . 1 . 2]" 1 416 1 37 LEU HB3 1 51 GLY H . . 3.560 3.075 2.842 3.433 . 0 0 "[ . 1 . 2]" 1 417 1 37 LEU HB2 1 51 GLY H . . 3.990 3.444 3.139 3.656 . 0 0 "[ . 1 . 2]" 1 418 1 50 ALA MB 1 51 GLY H . . 3.220 2.754 2.636 2.912 . 0 0 "[ . 1 . 2]" 1 419 1 51 GLY H 1 52 THR MG . . 3.990 3.445 3.215 3.919 . 0 0 "[ . 1 . 2]" 1 420 1 24 VAL H 1 25 ARG H . . 3.250 2.517 2.396 2.788 . 0 0 "[ . 1 . 2]" 1 421 1 25 ARG H 1 25 ARG HB2 . . 2.850 2.407 2.126 2.542 . 0 0 "[ . 1 . 2]" 1 422 1 25 ARG H 1 25 ARG HB3 . . 3.850 3.566 3.422 3.609 . 0 0 "[ . 1 . 2]" 1 423 1 25 ARG H 1 25 ARG HG2 . . 4.250 3.817 3.617 4.251 0.001 3 0 "[ . 1 . 2]" 1 424 1 24 VAL MG1 1 25 ARG H . . 4.100 3.333 2.310 3.759 . 0 0 "[ . 1 . 2]" 1 425 1 22 ALA H 1 24 VAL H . . 4.540 4.247 4.081 4.546 0.006 20 0 "[ . 1 . 2]" 1 426 1 20 GLN H 1 22 ALA H . . 4.570 4.536 4.427 4.571 0.001 2 0 "[ . 1 . 2]" 1 427 1 18 ALA HA 1 22 ALA H . . 4.520 4.405 4.173 4.521 0.001 10 0 "[ . 1 . 2]" 1 428 1 22 ALA H 1 23 TYR HB3 . . 4.870 4.795 4.713 4.872 0.002 16 0 "[ . 1 . 2]" 1 429 1 21 GLU HG3 1 22 ALA H . . 4.730 4.176 3.967 4.520 . 0 0 "[ . 1 . 2]" 1 430 1 21 GLU HG2 1 22 ALA H . . 4.210 3.687 3.380 3.837 . 0 0 "[ . 1 . 2]" 1 431 1 22 ALA H 1 22 ALA MB . . 2.750 2.170 2.056 2.233 . 0 0 "[ . 1 . 2]" 1 432 1 35 TRP HE1 1 60 MET H . . 4.570 4.398 4.158 4.569 . 0 0 "[ . 1 . 2]" 1 433 1 58 GLU H 1 60 MET H . . 4.610 3.980 3.826 4.140 . 0 0 "[ . 1 . 2]" 1 434 1 60 MET H 1 61 VAL H . . 3.520 2.759 2.641 2.901 . 0 0 "[ . 1 . 2]" 1 435 1 57 LEU HA 1 60 MET H . . 3.920 3.100 2.935 3.249 . 0 0 "[ . 1 . 2]" 1 436 1 59 GLU HB3 1 60 MET H . . 3.390 2.857 2.606 3.035 . 0 0 "[ . 1 . 2]" 1 437 1 59 GLU HB2 1 60 MET H . . 3.860 3.792 3.624 3.861 0.001 15 0 "[ . 1 . 2]" 1 438 1 60 MET H 1 60 MET HB3 . . 3.120 2.452 2.372 2.596 . 0 0 "[ . 1 . 2]" 1 439 1 60 MET H 1 61 VAL MG1 . . 4.990 4.268 4.083 4.561 . 0 0 "[ . 1 . 2]" 1 440 1 60 MET H 1 61 VAL MG2 . . 4.990 3.844 3.706 3.997 . 0 0 "[ . 1 . 2]" 1 441 1 60 MET H 1 60 MET HB2 . . 3.160 2.605 2.453 2.704 . 0 0 "[ . 1 . 2]" 1 442 1 11 ASN H 1 46 ASP HA . . 3.630 2.898 2.533 3.425 . 0 0 "[ . 1 . 2]" 1 443 1 10 ALA HA 1 11 ASN H . . 2.840 2.221 2.142 2.332 . 0 0 "[ . 1 . 2]" 1 444 1 11 ASN H 1 11 ASN HB2 . . 3.420 2.597 2.392 2.819 . 0 0 "[ . 1 . 2]" 1 445 1 11 ASN H 1 45 ASN HB2 . . 4.470 4.393 4.055 4.469 . 0 0 "[ . 1 . 2]" 1 446 1 11 ASN H 1 45 ASN HB3 . . 4.470 3.703 3.052 4.034 . 0 0 "[ . 1 . 2]" 1 447 1 11 ASN H 1 47 ILE HG12 . . 4.320 3.595 3.124 3.862 . 0 0 "[ . 1 . 2]" 1 448 1 11 ASN H 1 47 ILE HG13 . . 5.500 4.990 4.489 5.378 . 0 0 "[ . 1 . 2]" 1 449 1 10 ALA MB 1 11 ASN H . . 3.550 2.911 2.525 3.268 . 0 0 "[ . 1 . 2]" 1 450 1 11 ASN H 1 47 ILE MD . . 4.990 4.813 4.469 4.991 0.001 10 0 "[ . 1 . 2]" 1 451 1 16 GLY HA2 1 19 LEU H . . 4.140 4.028 3.870 4.155 0.015 17 0 "[ . 1 . 2]" 1 452 1 15 ASN HB2 1 19 LEU H . . 4.790 3.478 3.155 3.647 . 0 0 "[ . 1 . 2]" 1 453 1 19 LEU H 1 19 LEU HB2 . . 3.160 2.504 2.370 2.650 . 0 0 "[ . 1 . 2]" 1 454 1 19 LEU H 1 19 LEU HG . . 2.950 2.243 1.950 2.501 . 0 0 "[ . 1 . 2]" 1 455 1 18 ALA MB 1 19 LEU H . . 3.260 2.256 2.028 2.463 . 0 0 "[ . 1 . 2]" 1 456 1 19 LEU H 1 19 LEU HB3 . . 3.660 3.581 3.569 3.586 . 0 0 "[ . 1 . 2]" 1 457 1 19 LEU H 1 19 LEU MD2 . . 3.830 3.676 3.348 3.825 . 0 0 "[ . 1 . 2]" 1 458 1 19 LEU H 1 19 LEU MD1 . . 3.880 3.199 2.977 3.352 . 0 0 "[ . 1 . 2]" 1 459 1 15 ASN HB3 1 19 LEU H . . 4.790 3.586 3.333 4.791 0.001 18 0 "[ . 1 . 2]" 1 460 1 19 LEU H 1 20 GLN HB3 . . 5.000 4.872 4.738 4.976 . 0 0 "[ . 1 . 2]" 1 461 1 133 GLU H 1 134 CYS H . . 3.120 2.587 2.337 2.632 . 0 0 "[ . 1 . 2]" 1 462 1 134 CYS H 1 136 MET H . . 4.270 4.253 4.150 4.271 0.001 18 0 "[ . 1 . 2]" 1 463 1 134 CYS H 1 135 ILE H . . 2.890 2.648 2.554 2.690 . 0 0 "[ . 1 . 2]" 1 464 1 131 GLU H 1 134 CYS H . . 4.680 3.906 3.634 3.999 . 0 0 "[ . 1 . 2]" 1 465 1 132 PRO HA 1 134 CYS H . . 5.050 4.589 4.360 4.756 . 0 0 "[ . 1 . 2]" 1 466 1 132 PRO HD2 1 134 CYS H . . 5.380 4.386 4.296 4.431 . 0 0 "[ . 1 . 2]" 1 467 1 134 CYS H 1 134 CYS HB2 . . 2.780 2.076 2.063 2.120 . 0 0 "[ . 1 . 2]" 1 468 1 133 GLU HG3 1 134 CYS H . . 4.490 2.551 1.950 4.206 . 0 0 "[ . 1 . 2]" 1 469 1 134 CYS H 1 135 ILE HB . . 5.020 4.969 4.862 5.016 . 0 0 "[ . 1 . 2]" 1 470 1 131 GLU HB2 1 134 CYS H . . 3.970 3.454 3.216 3.511 . 0 0 "[ . 1 . 2]" 1 471 1 134 CYS H 1 135 ILE HG13 . . 4.590 4.358 4.196 4.572 . 0 0 "[ . 1 . 2]" 1 472 1 111 MET H 1 112 ALA MB . . 4.420 4.347 4.227 4.420 . 0 0 "[ . 1 . 2]" 1 473 1 136 MET HA 1 139 VAL H . . 3.720 3.032 2.910 3.117 . 0 0 "[ . 1 . 2]" 1 474 1 139 VAL H 1 139 VAL HB . . 3.620 2.543 2.536 2.556 . 0 0 "[ . 1 . 2]" 1 475 1 138 LYS HG2 1 139 VAL H . . 4.870 4.564 4.355 4.622 . 0 0 "[ . 1 . 2]" 1 476 1 139 VAL H 1 140 ALA MB . . 4.640 4.333 4.298 4.405 . 0 0 "[ . 1 . 2]" 1 477 1 139 VAL H 1 139 VAL MG1 . . 3.780 3.764 3.763 3.764 . 0 0 "[ . 1 . 2]" 1 478 1 139 VAL H 1 139 VAL MG2 . . 3.780 2.180 2.026 2.309 . 0 0 "[ . 1 . 2]" 1 479 1 111 MET H 1 112 ALA H . . 3.160 2.755 2.647 2.834 . 0 0 "[ . 1 . 2]" 1 480 1 110 THR H 1 111 MET H . . 3.310 2.549 2.456 2.672 . 0 0 "[ . 1 . 2]" 1 481 1 110 THR HB 1 111 MET H . . 3.100 2.415 2.287 2.564 . 0 0 "[ . 1 . 2]" 1 482 1 108 VAL HA 1 111 MET H . . 3.960 3.456 3.261 3.713 . 0 0 "[ . 1 . 2]" 1 483 1 107 HIS HB3 1 111 MET H . . 4.870 4.307 3.946 4.762 . 0 0 "[ . 1 . 2]" 1 484 1 111 MET H 1 111 MET HB2 . . 3.030 2.312 2.266 2.394 . 0 0 "[ . 1 . 2]" 1 485 1 111 MET H 1 111 MET HB3 . . 3.760 3.554 3.538 3.575 . 0 0 "[ . 1 . 2]" 1 486 1 110 THR MG 1 111 MET H . . 3.770 3.354 3.164 3.627 . 0 0 "[ . 1 . 2]" 1 487 1 111 MET H 1 111 MET HG3 . . 3.730 3.706 3.623 3.731 0.001 19 0 "[ . 1 . 2]" 1 488 1 108 VAL H 1 109 SER H . . 3.560 2.740 2.588 2.799 . 0 0 "[ . 1 . 2]" 1 489 1 105 ALA HA 1 108 VAL H . . 4.270 3.228 3.060 3.421 . 0 0 "[ . 1 . 2]" 1 490 1 107 HIS HB2 1 108 VAL H . . 3.840 2.954 2.806 3.052 . 0 0 "[ . 1 . 2]" 1 491 1 107 HIS HB3 1 108 VAL H . . 4.190 3.757 3.553 3.854 . 0 0 "[ . 1 . 2]" 1 492 1 108 VAL H 1 108 VAL HB . . 2.820 2.588 2.563 2.606 . 0 0 "[ . 1 . 2]" 1 493 1 108 VAL H 1 108 VAL MG1 . . 3.810 3.765 3.764 3.766 . 0 0 "[ . 1 . 2]" 1 494 1 108 VAL H 1 108 VAL MG2 . . 3.810 2.011 1.927 2.261 . 0 0 "[ . 1 . 2]" 1 495 1 63 GLU H 1 64 LEU H . . 2.990 2.318 2.179 2.397 . 0 0 "[ . 1 . 2]" 1 496 1 61 VAL HA 1 64 LEU H . . 3.800 3.071 2.823 3.261 . 0 0 "[ . 1 . 2]" 1 497 1 64 LEU H 1 70 MET ME . . 5.300 5.177 4.707 5.300 . 0 0 "[ . 1 . 2]" 1 498 1 63 GLU HB3 1 64 LEU H . . 4.010 3.594 3.470 3.693 . 0 0 "[ . 1 . 2]" 1 499 1 63 GLU HB2 1 64 LEU H . . 4.120 2.966 2.829 3.070 . 0 0 "[ . 1 . 2]" 1 500 1 64 LEU H 1 64 LEU HG . . 3.020 2.326 2.131 2.530 . 0 0 "[ . 1 . 2]" 1 501 1 64 LEU H 1 64 LEU HB2 . . 3.050 2.446 2.340 2.563 . 0 0 "[ . 1 . 2]" 1 502 1 64 LEU H 1 64 LEU MD1 . . 3.830 3.654 3.489 3.739 . 0 0 "[ . 1 . 2]" 1 503 1 64 LEU H 1 64 LEU MD2 . . 3.830 3.351 3.026 3.616 . 0 0 "[ . 1 . 2]" 1 504 1 64 LEU H 1 64 LEU HB3 . . 3.800 3.579 3.563 3.587 . 0 0 "[ . 1 . 2]" 1 505 1 138 LYS HG3 1 139 VAL H . . 4.730 4.571 4.429 4.695 . 0 0 "[ . 1 . 2]" 1 506 1 138 LYS HB3 1 139 VAL H . . 3.960 3.961 3.959 3.962 0.002 9 0 "[ . 1 . 2]" 1 507 1 100 ARG H 1 101 LYS H . . 2.980 2.321 2.260 2.380 . 0 0 "[ . 1 . 2]" 1 508 1 98 ASP HA 1 101 LYS H . . 3.660 3.104 3.024 3.195 . 0 0 "[ . 1 . 2]" 1 509 1 101 LYS H 1 102 GLY HA2 . . 5.500 5.377 5.318 5.419 . 0 0 "[ . 1 . 2]" 1 510 1 101 LYS H 1 102 GLY HA3 . . 5.500 5.095 5.028 5.132 . 0 0 "[ . 1 . 2]" 1 511 1 98 ASP HB2 1 101 LYS H . . 5.500 5.454 5.355 5.501 0.001 7 0 "[ . 1 . 2]" 1 512 1 98 ASP HB3 1 101 LYS H . . 5.500 5.130 4.929 5.271 . 0 0 "[ . 1 . 2]" 1 513 1 99 VAL HB 1 101 LYS H . . 5.430 5.197 5.157 5.277 . 0 0 "[ . 1 . 2]" 1 514 1 100 ARG HB3 1 101 LYS H . . 3.390 2.638 2.541 2.752 . 0 0 "[ . 1 . 2]" 1 515 1 101 LYS H 1 101 LYS HB2 . . 2.790 2.297 2.212 2.545 . 0 0 "[ . 1 . 2]" 1 516 1 101 LYS H 1 101 LYS HD2 . . 4.960 4.424 4.150 4.638 . 0 0 "[ . 1 . 2]" 1 517 1 101 LYS H 1 101 LYS HD3 . . 5.500 5.148 4.840 5.305 . 0 0 "[ . 1 . 2]" 1 518 1 101 LYS H 1 101 LYS HG3 . . 3.890 2.646 2.325 2.823 . 0 0 "[ . 1 . 2]" 1 519 1 101 LYS H 1 101 LYS HG2 . . 3.890 3.644 2.887 3.890 0.000 12 0 "[ . 1 . 2]" 1 520 1 136 MET HA 1 138 LYS H . . 4.340 3.872 3.759 3.970 . 0 0 "[ . 1 . 2]" 1 521 1 135 ILE HA 1 138 LYS H . . 3.890 3.556 3.421 3.673 . 0 0 "[ . 1 . 2]" 1 522 1 138 LYS H 1 138 LYS HB2 . . 2.820 2.527 2.505 2.618 . 0 0 "[ . 1 . 2]" 1 523 1 138 LYS H 1 138 LYS HB3 . . 3.840 3.661 3.657 3.671 . 0 0 "[ . 1 . 2]" 1 524 1 138 LYS H 1 138 LYS HG3 . . 3.190 3.008 2.891 3.155 . 0 0 "[ . 1 . 2]" 1 525 1 138 LYS H 1 138 LYS HG2 . . 3.500 2.879 2.587 2.971 . 0 0 "[ . 1 . 2]" 1 526 1 138 LYS H 1 139 VAL MG1 . . 5.500 5.523 5.522 5.527 0.027 9 0 "[ . 1 . 2]" 1 527 1 138 LYS H 1 139 VAL MG2 . . 5.500 3.599 3.473 3.662 . 0 0 "[ . 1 . 2]" 1 528 1 35 TRP HE3 1 36 ALA H . . 4.100 2.597 2.427 2.721 . 0 0 "[ . 1 . 2]" 1 529 1 36 ALA H 1 37 LEU HA . . 4.620 4.448 4.428 4.482 . 0 0 "[ . 1 . 2]" 1 530 1 35 TRP HB2 1 36 ALA H . . 3.980 2.090 2.020 2.173 . 0 0 "[ . 1 . 2]" 1 531 1 36 ALA H 1 73 PHE HB3 . . 4.210 3.812 3.651 3.979 . 0 0 "[ . 1 . 2]" 1 532 1 35 TRP HB3 1 36 ALA H . . 3.980 3.550 3.465 3.635 . 0 0 "[ . 1 . 2]" 1 533 1 36 ALA H 1 36 ALA MB . . 3.320 2.823 2.774 2.847 . 0 0 "[ . 1 . 2]" 1 534 1 26 VAL MG1 1 36 ALA H . . 5.000 4.413 4.267 4.775 . 0 0 "[ . 1 . 2]" 1 535 1 26 VAL MG2 1 36 ALA H . . 5.000 3.717 3.538 3.831 . 0 0 "[ . 1 . 2]" 1 536 1 125 ARG H 1 129 ASP HB2 . . 3.910 2.612 2.498 2.756 . 0 0 "[ . 1 . 2]" 1 537 1 124 ALA MB 1 125 ARG H . . 3.240 2.068 1.927 2.266 . 0 0 "[ . 1 . 2]" 1 538 1 125 ARG H 1 129 ASP HB3 . . 4.230 3.398 3.309 3.463 . 0 0 "[ . 1 . 2]" 1 539 1 35 TRP HE1 1 59 GLU H . . 4.930 4.801 4.520 4.928 . 0 0 "[ . 1 . 2]" 1 540 1 58 GLU H 1 59 GLU H . . 3.260 2.615 2.541 2.730 . 0 0 "[ . 1 . 2]" 1 541 1 57 LEU H 1 59 GLU H . . 4.990 4.049 3.924 4.353 . 0 0 "[ . 1 . 2]" 1 542 1 59 GLU H 1 60 MET H . . 3.000 2.270 2.082 2.432 . 0 0 "[ . 1 . 2]" 1 543 1 55 GLY HA3 1 59 GLU H . . 4.690 4.081 3.781 4.382 . 0 0 "[ . 1 . 2]" 1 544 1 57 LEU HA 1 59 GLU H . . 5.030 3.976 3.823 4.211 . 0 0 "[ . 1 . 2]" 1 545 1 58 GLU HG3 1 59 GLU H . . 5.310 4.676 4.208 5.093 . 0 0 "[ . 1 . 2]" 1 546 1 59 GLU H 1 59 GLU HG2 . . 5.380 4.692 4.643 4.760 . 0 0 "[ . 1 . 2]" 1 547 1 59 GLU H 1 59 GLU HB3 . . 3.110 2.747 2.578 2.907 . 0 0 "[ . 1 . 2]" 1 548 1 59 GLU H 1 59 GLU HB2 . . 3.070 2.487 2.323 2.604 . 0 0 "[ . 1 . 2]" 1 549 1 57 LEU HB2 1 59 GLU H . . 5.320 5.044 4.776 5.239 . 0 0 "[ . 1 . 2]" 1 550 1 59 GLU H 1 60 MET HA . . 5.270 4.917 4.749 5.052 . 0 0 "[ . 1 . 2]" 1 551 1 59 GLU H 1 60 MET HB3 . . 4.570 4.423 4.261 4.570 0.000 3 0 "[ . 1 . 2]" 1 552 1 59 GLU H 1 60 MET HB2 . . 4.930 4.658 4.424 4.867 . 0 0 "[ . 1 . 2]" 1 553 1 56 GLY H 1 57 LEU H . . 4.670 4.541 4.513 4.567 . 0 0 "[ . 1 . 2]" 1 554 1 56 GLY HA3 1 57 LEU H . . 3.560 2.280 2.199 2.443 . 0 0 "[ . 1 . 2]" 1 555 1 57 LEU H 1 57 LEU HG . . 3.380 2.469 2.034 2.798 . 0 0 "[ . 1 . 2]" 1 556 1 57 LEU H 1 132 PRO HG3 . . 5.500 4.583 4.299 5.138 . 0 0 "[ . 1 . 2]" 1 557 1 57 LEU H 1 57 LEU HB3 . . 3.730 3.610 3.568 3.646 . 0 0 "[ . 1 . 2]" 1 558 1 57 LEU H 1 57 LEU MD1 . . 4.120 2.826 2.365 3.225 . 0 0 "[ . 1 . 2]" 1 559 1 57 LEU H 1 57 LEU MD2 . . 4.120 3.930 3.666 4.118 . 0 0 "[ . 1 . 2]" 1 560 1 20 GLN HG2 1 21 GLU H . . 5.210 3.680 3.417 4.941 . 0 0 "[ . 1 . 2]" 1 561 1 20 GLN HG3 1 21 GLU H . . 5.210 4.630 3.794 5.053 . 0 0 "[ . 1 . 2]" 1 562 1 21 GLU H 1 21 GLU HB2 . . 2.930 2.487 2.393 2.618 . 0 0 "[ . 1 . 2]" 1 563 1 21 GLU H 1 21 GLU HB3 . . 3.100 2.568 2.438 2.662 . 0 0 "[ . 1 . 2]" 1 564 1 19 LEU HB2 1 21 GLU H . . 5.120 4.853 4.770 5.042 . 0 0 "[ . 1 . 2]" 1 565 1 18 ALA MB 1 21 GLU H . . 4.930 4.607 4.487 4.727 . 0 0 "[ . 1 . 2]" 1 566 1 21 GLU H 1 22 ALA MB . . 5.190 4.410 4.201 4.530 . 0 0 "[ . 1 . 2]" 1 567 1 27 VAL HB 1 28 THR H . . 4.170 4.016 3.972 4.051 . 0 0 "[ . 1 . 2]" 1 568 1 28 THR H 1 29 GLU H . . 4.470 4.326 4.193 4.456 . 0 0 "[ . 1 . 2]" 1 569 1 28 THR H 1 28 THR HG1 . . 3.290 2.890 2.428 3.218 . 0 0 "[ . 1 . 2]" 1 570 1 28 THR H 1 28 THR HB . . 2.830 2.509 2.490 2.541 . 0 0 "[ . 1 . 2]" 1 571 1 25 ARG HA 1 28 THR H . . 3.970 3.142 3.055 3.363 . 0 0 "[ . 1 . 2]" 1 572 1 26 VAL HA 1 28 THR H . . 4.260 4.229 4.077 4.265 0.005 19 0 "[ . 1 . 2]" 1 573 1 24 VAL HA 1 28 THR H . . 4.450 4.319 4.220 4.431 . 0 0 "[ . 1 . 2]" 1 574 1 26 VAL HB 1 28 THR H . . 5.500 4.923 4.760 5.028 . 0 0 "[ . 1 . 2]" 1 575 1 28 THR H 1 28 THR MG . . 3.880 3.798 3.787 3.813 . 0 0 "[ . 1 . 2]" 1 576 1 115 LEU H 1 116 LYS H . . 4.000 3.538 3.292 3.721 . 0 0 "[ . 1 . 2]" 1 577 1 23 TYR QE 1 116 LYS H . . 3.660 3.487 2.944 3.661 0.001 9 0 "[ . 1 . 2]" 1 578 1 114 PHE HA 1 116 LYS H . . 4.510 4.062 3.866 4.276 . 0 0 "[ . 1 . 2]" 1 579 1 115 LEU HA 1 116 LYS H . . 2.780 2.554 2.478 2.667 . 0 0 "[ . 1 . 2]" 1 580 1 116 LYS H 1 116 LYS HB2 . . 2.860 2.189 2.126 2.251 . 0 0 "[ . 1 . 2]" 1 581 1 116 LYS H 1 116 LYS HG2 . . 3.810 3.194 3.015 3.336 . 0 0 "[ . 1 . 2]" 1 582 1 116 LYS H 1 116 LYS HG3 . . 3.810 3.433 3.171 3.670 . 0 0 "[ . 1 . 2]" 1 583 1 115 LEU HB3 1 116 LYS H . . 4.420 4.351 4.299 4.420 . 0 0 "[ . 1 . 2]" 1 584 1 23 TYR QD 1 24 VAL H . . 4.030 3.568 2.572 4.031 0.001 10 0 "[ . 1 . 2]" 1 585 1 20 GLN HA 1 24 VAL H . . 4.520 4.130 3.712 4.336 . 0 0 "[ . 1 . 2]" 1 586 1 21 GLU HA 1 24 VAL H . . 3.790 3.378 3.230 3.556 . 0 0 "[ . 1 . 2]" 1 587 1 23 TYR HB3 1 24 VAL H . . 3.320 2.779 2.410 3.006 . 0 0 "[ . 1 . 2]" 1 588 1 23 TYR HB2 1 24 VAL H . . 4.290 4.038 3.834 4.162 . 0 0 "[ . 1 . 2]" 1 589 1 24 VAL H 1 24 VAL HB . . 2.900 2.502 2.436 2.600 . 0 0 "[ . 1 . 2]" 1 590 1 22 ALA MB 1 24 VAL H . . 5.180 4.670 4.469 5.012 . 0 0 "[ . 1 . 2]" 1 591 1 21 GLU H 1 24 VAL H . . 4.890 4.655 4.591 4.699 . 0 0 "[ . 1 . 2]" 1 592 1 68 LYS H 1 91 TRP HE1 . . 3.760 3.258 3.120 3.366 . 0 0 "[ . 1 . 2]" 1 593 1 67 GLY H 1 68 LYS H . . 3.030 1.920 1.903 1.964 . 0 0 "[ . 1 . 2]" 1 594 1 68 LYS H 1 69 VAL H . . 4.540 4.383 4.347 4.450 . 0 0 "[ . 1 . 2]" 1 595 1 68 LYS H 1 93 GLY H . . 4.370 4.053 3.949 4.150 . 0 0 "[ . 1 . 2]" 1 596 1 66 SER HA 1 68 LYS H . . 4.230 3.767 3.709 3.785 . 0 0 "[ . 1 . 2]" 1 597 1 68 LYS H 1 93 GLY HA3 . . 4.030 3.412 3.104 3.622 . 0 0 "[ . 1 . 2]" 1 598 1 68 LYS H 1 93 GLY HA2 . . 5.180 4.886 4.328 5.180 0.000 9 0 "[ . 1 . 2]" 1 599 1 65 ASN HB3 1 68 LYS H . . 4.050 3.565 3.423 3.797 . 0 0 "[ . 1 . 2]" 1 600 1 68 LYS H 1 68 LYS HB2 . . 3.900 2.767 2.671 2.821 . 0 0 "[ . 1 . 2]" 1 601 1 61 VAL H 1 62 GLU H . . 3.410 2.612 2.431 2.732 . 0 0 "[ . 1 . 2]" 1 602 1 62 GLU H 1 63 GLU H . . 3.070 2.631 2.510 2.709 . 0 0 "[ . 1 . 2]" 1 603 1 62 GLU H 1 62 GLU HB2 . . 2.950 2.153 2.090 2.265 . 0 0 "[ . 1 . 2]" 1 604 1 61 VAL MG2 1 62 GLU H . . 4.150 2.109 1.940 2.314 . 0 0 "[ . 1 . 2]" 1 605 1 38 PHE H 1 71 TYR H . . 3.600 2.496 2.286 2.599 . 0 0 "[ . 1 . 2]" 1 606 1 71 TYR H 1 71 TYR HD1 . . 4.270 2.735 2.573 2.877 . 0 0 "[ . 1 . 2]" 1 607 1 70 MET HA 1 71 TYR H . . 2.980 2.521 2.424 2.591 . 0 0 "[ . 1 . 2]" 1 608 1 39 THR HB 1 71 TYR H . . 4.770 4.699 4.320 4.771 0.001 8 0 "[ . 1 . 2]" 1 609 1 38 PHE HB2 1 71 TYR H . . 4.060 3.391 3.031 3.612 . 0 0 "[ . 1 . 2]" 1 610 1 71 TYR H 1 71 TYR HB3 . . 4.040 3.800 3.738 3.834 . 0 0 "[ . 1 . 2]" 1 611 1 70 MET HB3 1 71 TYR H . . 3.350 2.262 2.115 2.456 . 0 0 "[ . 1 . 2]" 1 612 1 70 MET ME 1 71 TYR H . . 4.770 3.981 3.671 4.304 . 0 0 "[ . 1 . 2]" 1 613 1 71 TYR H 1 111 MET ME . . 4.540 4.307 3.998 4.534 . 0 0 "[ . 1 . 2]" 1 614 1 71 TYR H 1 71 TYR HE1 . . 5.070 4.961 4.738 5.070 . 0 0 "[ . 1 . 2]" 1 615 1 71 TYR H 1 71 TYR HB2 . . 3.610 2.679 2.570 2.743 . 0 0 "[ . 1 . 2]" 1 616 1 70 MET HB2 1 71 TYR H . . 3.940 3.228 3.094 3.386 . 0 0 "[ . 1 . 2]" 1 617 1 37 LEU HG 1 71 TYR H . . 5.500 3.871 3.544 5.499 . 0 0 "[ . 1 . 2]" 1 618 1 71 TYR H 1 72 ALA MB . . 5.500 4.949 4.886 5.035 . 0 0 "[ . 1 . 2]" 1 619 1 20 GLN H 1 114 PHE HZ . . 4.640 3.080 2.881 3.501 . 0 0 "[ . 1 . 2]" 1 620 1 20 GLN H 1 20 GLN HG2 . . 5.190 4.406 4.356 4.600 . 0 0 "[ . 1 . 2]" 1 621 1 20 GLN H 1 20 GLN HG3 . . 5.190 4.495 4.354 4.604 . 0 0 "[ . 1 . 2]" 1 622 1 20 GLN H 1 20 GLN HB2 . . 3.040 2.612 2.508 2.680 . 0 0 "[ . 1 . 2]" 1 623 1 20 GLN H 1 20 GLN HB3 . . 3.230 2.440 2.380 2.541 . 0 0 "[ . 1 . 2]" 1 624 1 19 LEU HB2 1 20 GLN H . . 3.190 2.392 2.280 2.551 . 0 0 "[ . 1 . 2]" 1 625 1 19 LEU HG 1 20 GLN H . . 4.500 4.362 4.157 4.501 0.001 11 0 "[ . 1 . 2]" 1 626 1 18 ALA MB 1 20 GLN H . . 4.540 4.492 4.333 4.541 0.001 13 0 "[ . 1 . 2]" 1 627 1 19 LEU HB3 1 20 GLN H . . 3.660 3.433 3.312 3.634 . 0 0 "[ . 1 . 2]" 1 628 1 19 LEU MD1 1 20 GLN H . . 4.470 4.016 3.774 4.240 . 0 0 "[ . 1 . 2]" 1 629 1 119 HIS H 1 120 VAL H . . 2.990 2.499 2.363 2.584 . 0 0 "[ . 1 . 2]" 1 630 1 88 LEU H 1 120 VAL H . . 4.270 3.792 3.520 3.940 . 0 0 "[ . 1 . 2]" 1 631 1 120 VAL H 1 121 THR H . . 4.610 4.226 4.010 4.378 . 0 0 "[ . 1 . 2]" 1 632 1 119 HIS HB3 1 120 VAL H . . 3.920 3.765 3.668 3.842 . 0 0 "[ . 1 . 2]" 1 633 1 120 VAL H 1 120 VAL HB . . 3.310 2.917 2.859 2.933 . 0 0 "[ . 1 . 2]" 1 634 1 120 VAL H 1 120 VAL MG1 . . 4.150 3.964 3.938 3.974 . 0 0 "[ . 1 . 2]" 1 635 1 16 GLY HA2 1 20 GLN H . . 4.510 3.971 3.661 4.203 . 0 0 "[ . 1 . 2]" 1 636 1 87 VAL MG2 1 120 VAL H . . 4.890 3.967 3.600 4.249 . 0 0 "[ . 1 . 2]" 1 637 1 118 ALA HA 1 120 VAL H . . 3.970 3.478 3.440 3.646 . 0 0 "[ . 1 . 2]" 1 638 1 127 GLU HA 1 129 ASP H . . 4.450 3.900 3.841 3.930 . 0 0 "[ . 1 . 2]" 1 639 1 129 ASP H 1 129 ASP HB2 . . 3.070 2.342 2.197 2.350 . 0 0 "[ . 1 . 2]" 1 640 1 126 ALA MB 1 129 ASP H . . 3.850 2.910 2.740 2.996 . 0 0 "[ . 1 . 2]" 1 641 1 129 ASP H 1 130 VAL MG2 . . 4.010 3.312 3.267 3.739 . 0 0 "[ . 1 . 2]" 1 642 1 91 TRP HZ3 1 129 ASP H . . 5.290 4.575 4.288 4.831 . 0 0 "[ . 1 . 2]" 1 643 1 129 ASP H 1 129 ASP HB3 . . 3.670 3.597 3.489 3.603 . 0 0 "[ . 1 . 2]" 1 644 1 44 SER H 1 44 SER HG . . 3.420 2.551 2.020 3.410 . 0 0 "[ . 1 . 2]" 1 645 1 44 SER H 1 44 SER HB3 . . 3.850 3.759 3.506 3.850 . 8 0 "[ . 1 . 2]" 1 646 1 44 SER H 1 44 SER HB2 . . 3.720 3.645 3.546 3.720 0.000 17 0 "[ . 1 . 2]" 1 647 1 42 GLY HA2 1 44 SER H . . 5.190 4.478 3.774 4.849 . 0 0 "[ . 1 . 2]" 1 648 1 42 GLY HA3 1 44 SER H . . 5.190 4.137 3.718 5.188 . 0 0 "[ . 1 . 2]" 1 649 1 40 TYR HB3 1 44 SER H . . 5.390 4.120 3.821 4.401 . 0 0 "[ . 1 . 2]" 1 650 1 43 ASN HB2 1 44 SER H . . 4.610 4.238 3.227 4.610 0.000 10 0 "[ . 1 . 2]" 1 651 1 40 TYR HB2 1 44 SER H . . 5.500 5.306 4.969 5.500 . 0 0 "[ . 1 . 2]" 1 652 1 43 ASN HB3 1 44 SER H . . 4.610 4.215 2.928 4.599 . 0 0 "[ . 1 . 2]" 1 653 1 38 PHE HA 1 50 ALA H . . 3.300 2.748 2.078 2.944 . 0 0 "[ . 1 . 2]" 1 654 1 50 ALA H 1 51 GLY HA2 . . 5.500 4.530 4.405 4.939 . 0 0 "[ . 1 . 2]" 1 655 1 50 ALA H 1 51 GLY HA3 . . 5.500 4.716 4.580 5.187 . 0 0 "[ . 1 . 2]" 1 656 1 49 VAL HA 1 50 ALA H . . 2.930 2.209 2.143 2.231 . 0 0 "[ . 1 . 2]" 1 657 1 49 VAL HB 1 50 ALA H . . 4.890 4.005 3.937 4.223 . 0 0 "[ . 1 . 2]" 1 658 1 50 ALA H 1 70 MET ME . . 5.270 4.836 4.266 5.049 . 0 0 "[ . 1 . 2]" 1 659 1 49 VAL MG1 1 50 ALA H . . 4.290 2.536 2.004 4.087 . 0 0 "[ . 1 . 2]" 1 660 1 127 GLU H 1 128 GLU H . . 3.450 2.547 2.483 2.625 . 0 0 "[ . 1 . 2]" 1 661 1 128 GLU H 1 129 ASP H . . 3.350 2.476 2.463 2.564 . 0 0 "[ . 1 . 2]" 1 662 1 128 GLU H 1 128 GLU HG2 . . 3.880 2.200 1.968 2.672 . 0 0 "[ . 1 . 2]" 1 663 1 126 ALA HA 1 128 GLU H . . 4.610 4.147 4.072 4.241 . 0 0 "[ . 1 . 2]" 1 664 1 35 TRP HE1 1 55 GLY HA3 . . 4.680 3.253 2.786 3.947 . 0 0 "[ . 1 . 2]" 1 665 1 35 TRP HE1 1 59 GLU HB2 . . 4.040 3.736 3.436 3.959 . 0 0 "[ . 1 . 2]" 1 666 1 35 TRP HE1 1 53 GLY HA3 . . 3.570 2.774 2.207 3.034 . 0 0 "[ . 1 . 2]" 1 667 1 35 TRP HE1 1 59 GLU HG2 . . 4.490 2.914 2.569 3.345 . 0 0 "[ . 1 . 2]" 1 668 1 35 TRP HE1 1 59 GLU HB3 . . 3.390 2.387 2.059 2.551 . 0 0 "[ . 1 . 2]" 1 669 1 39 THR H 1 39 THR HB . . 4.120 3.098 3.013 3.235 . 0 0 "[ . 1 . 2]" 1 670 1 39 THR H 1 47 ILE MG . . 3.720 3.508 3.363 3.658 . 0 0 "[ . 1 . 2]" 1 671 1 39 THR H 1 50 ALA H . . 3.850 3.742 3.158 3.853 0.003 10 0 "[ . 1 . 2]" 1 672 1 38 PHE QD 1 39 THR H . . 4.510 4.373 4.183 4.509 . 0 0 "[ . 1 . 2]" 1 673 1 38 PHE HA 1 39 THR H . . 2.840 2.139 2.138 2.149 . 0 0 "[ . 1 . 2]" 1 674 1 39 THR H 1 47 ILE HA . . 4.940 4.893 4.704 4.941 0.001 18 0 "[ . 1 . 2]" 1 675 1 39 THR H 1 49 VAL HA . . 4.470 3.895 3.561 4.074 . 0 0 "[ . 1 . 2]" 1 676 1 38 PHE HB3 1 39 THR H . . 3.560 3.508 3.306 3.562 0.002 19 0 "[ . 1 . 2]" 1 677 1 39 THR H 1 39 THR MG . . 3.210 2.160 2.054 2.279 . 0 0 "[ . 1 . 2]" 1 678 1 38 PHE H 1 39 THR H . . 4.820 4.129 4.041 4.236 . 0 0 "[ . 1 . 2]" 1 679 1 26 VAL H 1 36 ALA MB . . 4.680 4.178 4.002 4.339 . 0 0 "[ . 1 . 2]" 1 680 1 24 VAL H 1 26 VAL H . . 4.680 4.333 4.145 4.615 . 0 0 "[ . 1 . 2]" 1 681 1 23 TYR HA 1 26 VAL H . . 3.880 3.613 3.352 3.753 . 0 0 "[ . 1 . 2]" 1 682 1 24 VAL HA 1 26 VAL H . . 4.720 4.700 4.612 4.723 0.003 13 0 "[ . 1 . 2]" 1 683 1 26 VAL H 1 26 VAL HB . . 2.980 2.568 2.548 2.595 . 0 0 "[ . 1 . 2]" 1 684 1 25 ARG HB3 1 26 VAL H . . 3.960 3.419 2.942 3.623 . 0 0 "[ . 1 . 2]" 1 685 1 26 VAL H 1 27 VAL MG2 . . 4.470 3.927 3.839 3.997 . 0 0 "[ . 1 . 2]" 1 686 1 26 VAL H 1 27 VAL MG1 . . 4.680 4.219 4.143 4.359 . 0 0 "[ . 1 . 2]" 1 687 1 29 GLU H 1 31 SER H . . 4.820 4.793 4.602 4.822 0.002 3 0 "[ . 1 . 2]" 1 688 1 30 LYS H 1 31 SER H . . 3.270 2.934 2.834 2.964 . 0 0 "[ . 1 . 2]" 1 689 1 31 SER H 1 31 SER HG . . 4.370 3.684 3.463 4.163 . 0 0 "[ . 1 . 2]" 1 690 1 30 LYS HB2 1 31 SER H . . 4.370 3.400 3.236 3.495 . 0 0 "[ . 1 . 2]" 1 691 1 30 LYS HB3 1 31 SER H . . 4.370 2.325 2.232 2.641 . 0 0 "[ . 1 . 2]" 1 692 1 30 LYS HG2 1 31 SER H . . 5.500 4.371 4.031 4.874 . 0 0 "[ . 1 . 2]" 1 693 1 30 LYS HG3 1 31 SER H . . 5.500 4.658 4.210 5.008 . 0 0 "[ . 1 . 2]" 1 694 1 28 THR MG 1 31 SER H . . 3.400 2.133 1.928 2.288 . 0 0 "[ . 1 . 2]" 1 695 1 31 SER H 1 31 SER HB3 . . 3.350 3.327 3.240 3.349 . 0 0 "[ . 1 . 2]" 1 696 1 33 THR H 1 34 ASP H . . 4.570 3.936 3.560 4.245 . 0 0 "[ . 1 . 2]" 1 697 1 33 THR H 1 33 THR HG1 . . 3.590 3.457 3.395 3.575 . 0 0 "[ . 1 . 2]" 1 698 1 33 THR H 1 33 THR HB . . 3.160 3.018 3.017 3.020 . 0 0 "[ . 1 . 2]" 1 699 1 32 PRO HB2 1 33 THR H . . 4.640 4.053 4.052 4.054 . 0 0 "[ . 1 . 2]" 1 700 1 33 THR H 1 54 GLU HG3 . . 3.780 2.798 2.216 3.776 . 0 0 "[ . 1 . 2]" 1 701 1 33 THR H 1 54 GLU HG2 . . 3.780 3.102 2.844 3.569 . 0 0 "[ . 1 . 2]" 1 702 1 33 THR H 1 33 THR MG . . 4.020 3.975 3.972 3.978 . 0 0 "[ . 1 . 2]" 1 703 1 108 VAL MG2 1 109 SER H . . 4.510 3.867 3.782 3.932 . 0 0 "[ . 1 . 2]" 1 704 1 135 ILE H 1 136 MET H . . 3.160 2.290 2.231 2.360 . 0 0 "[ . 1 . 2]" 1 705 1 133 GLU HA 1 136 MET H . . 3.730 3.241 3.155 3.465 . 0 0 "[ . 1 . 2]" 1 706 1 132 PRO HA 1 136 MET H . . 4.510 4.079 3.887 4.298 . 0 0 "[ . 1 . 2]" 1 707 1 136 MET H 1 136 MET HG3 . . 3.630 3.542 3.432 3.606 . 0 0 "[ . 1 . 2]" 1 708 1 136 MET H 1 136 MET HG2 . . 3.180 3.089 3.027 3.158 . 0 0 "[ . 1 . 2]" 1 709 1 135 ILE HB 1 136 MET H . . 3.150 2.534 2.427 2.592 . 0 0 "[ . 1 . 2]" 1 710 1 135 ILE HG13 1 136 MET H . . 4.390 4.238 4.183 4.351 . 0 0 "[ . 1 . 2]" 1 711 1 135 ILE MG 1 136 MET H . . 3.700 3.422 3.360 3.485 . 0 0 "[ . 1 . 2]" 1 712 1 30 LYS H 1 30 LYS HB2 . . 3.940 2.165 2.098 2.238 . 0 0 "[ . 1 . 2]" 1 713 1 30 LYS H 1 30 LYS HB3 . . 3.940 2.969 2.853 3.098 . 0 0 "[ . 1 . 2]" 1 714 1 108 VAL HB 1 109 SER H . . 3.720 2.774 2.597 2.966 . 0 0 "[ . 1 . 2]" 1 715 1 108 VAL MG1 1 109 SER H . . 4.510 3.605 3.505 3.755 . 0 0 "[ . 1 . 2]" 1 716 1 29 GLU H 1 30 LYS H . . 4.140 2.532 2.336 2.658 . 0 0 "[ . 1 . 2]" 1 717 1 80 ASN HD22 1 140 ALA HA . . 4.890 4.593 3.456 4.840 . 0 0 "[ . 1 . 2]" 1 718 1 80 ASN HB2 1 80 ASN HD22 . . 4.040 3.537 3.438 4.041 0.001 5 0 "[ . 1 . 2]" 1 719 1 14 ARG HB2 1 15 ASN HD22 . . 5.500 3.018 2.695 3.844 . 0 0 "[ . 1 . 2]" 1 720 1 14 ARG HB3 1 15 ASN HD22 . . 5.500 3.925 3.419 5.281 . 0 0 "[ . 1 . 2]" 1 721 1 80 ASN HD22 1 140 ALA MB . . 4.240 3.439 3.084 3.703 . 0 0 "[ . 1 . 2]" 1 722 1 34 ASP H 1 35 TRP H . . 2.750 2.040 1.899 2.244 . 0 0 "[ . 1 . 2]" 1 723 1 35 TRP H 1 36 ALA H . . 4.510 4.407 4.396 4.417 . 0 0 "[ . 1 . 2]" 1 724 1 35 TRP H 1 35 TRP HD1 . . 3.730 2.853 2.739 2.979 . 0 0 "[ . 1 . 2]" 1 725 1 35 TRP H 1 74 CYS HA . . 5.180 4.626 4.541 4.694 . 0 0 "[ . 1 . 2]" 1 726 1 35 TRP H 1 54 GLU HA . . 4.100 3.684 3.565 3.959 . 0 0 "[ . 1 . 2]" 1 727 1 35 TRP H 1 52 THR HA . . 5.180 4.694 4.608 4.822 . 0 0 "[ . 1 . 2]" 1 728 1 33 THR HB 1 35 TRP H . . 5.500 5.288 5.148 5.500 0.000 13 0 "[ . 1 . 2]" 1 729 1 35 TRP H 1 53 GLY HA3 . . 5.500 4.956 4.465 5.386 . 0 0 "[ . 1 . 2]" 1 730 1 33 THR MG 1 35 TRP H . . 3.020 2.899 2.545 3.021 0.001 3 0 "[ . 1 . 2]" 1 731 1 15 ASN HD21 1 48 ARG HA . . 4.010 3.464 3.183 3.944 . 0 0 "[ . 1 . 2]" 1 732 1 15 ASN HD21 1 48 ARG HB2 . . 4.540 3.825 3.181 4.290 . 0 0 "[ . 1 . 2]" 1 733 1 15 ASN HD21 1 48 ARG HB3 . . 4.060 2.746 2.200 3.002 . 0 0 "[ . 1 . 2]" 1 734 1 63 GLU H 1 64 LEU HG . . 4.370 4.012 3.806 4.215 . 0 0 "[ . 1 . 2]" 1 735 1 61 VAL HA 1 63 GLU H . . 4.320 3.819 3.637 4.024 . 0 0 "[ . 1 . 2]" 1 736 1 63 GLU H 1 63 GLU HG3 . . 3.940 3.671 3.015 3.940 . 0 0 "[ . 1 . 2]" 1 737 1 62 GLU HB2 1 63 GLU H . . 3.530 3.167 3.060 3.286 . 0 0 "[ . 1 . 2]" 1 738 1 63 GLU H 1 63 GLU HG2 . . 3.790 3.144 2.806 3.399 . 0 0 "[ . 1 . 2]" 1 739 1 60 MET HA 1 63 GLU H . . 4.450 3.734 3.533 4.052 . 0 0 "[ . 1 . 2]" 1 740 1 63 GLU H 1 63 GLU HB2 . . 3.240 2.254 2.179 2.341 . 0 0 "[ . 1 . 2]" 1 741 1 37 LEU MD1 1 63 GLU H . . 5.500 4.622 3.180 5.500 0.000 15 0 "[ . 1 . 2]" 1 742 1 65 ASN HA 1 65 ASN HD21 . . 4.930 3.600 2.613 4.210 . 0 0 "[ . 1 . 2]" 1 743 1 23 TYR H 1 38 PHE QE . . 4.640 4.164 3.901 4.382 . 0 0 "[ . 1 . 2]" 1 744 1 23 TYR H 1 23 TYR QD . . 4.350 4.143 4.052 4.196 . 0 0 "[ . 1 . 2]" 1 745 1 20 GLN HA 1 23 TYR H . . 3.830 3.458 3.341 3.641 . 0 0 "[ . 1 . 2]" 1 746 1 23 TYR H 1 115 LEU MD2 . . 4.870 4.754 4.286 4.870 0.000 18 0 "[ . 1 . 2]" 1 747 1 23 TYR H 1 24 VAL H . . 3.240 2.393 2.308 2.686 . 0 0 "[ . 1 . 2]" 1 748 1 23 TYR H 1 38 PHE HZ . . 3.890 3.577 3.345 3.852 . 0 0 "[ . 1 . 2]" 1 749 1 23 TYR H 1 23 TYR HB3 . . 2.990 2.361 2.334 2.399 . 0 0 "[ . 1 . 2]" 1 750 1 23 TYR H 1 23 TYR HB2 . . 3.330 2.850 2.666 2.977 . 0 0 "[ . 1 . 2]" 1 751 1 21 GLU HB3 1 23 TYR H . . 5.360 4.633 4.582 4.927 . 0 0 "[ . 1 . 2]" 1 752 1 23 TYR H 1 24 VAL HB . . 5.500 4.671 4.573 4.926 . 0 0 "[ . 1 . 2]" 1 753 1 22 ALA MB 1 23 TYR H . . 3.230 2.892 2.430 3.031 . 0 0 "[ . 1 . 2]" 1 754 1 23 TYR H 1 36 ALA MB . . 5.390 4.787 4.392 4.956 . 0 0 "[ . 1 . 2]" 1 755 1 35 TRP H 1 36 ALA MB . . 5.500 4.551 4.457 4.740 . 0 0 "[ . 1 . 2]" 1 756 1 133 GLU H 1 135 ILE H . . 4.680 4.019 3.804 4.102 . 0 0 "[ . 1 . 2]" 1 757 1 131 GLU HG3 1 133 GLU H . . 4.970 4.957 4.920 4.976 0.006 4 0 "[ . 1 . 2]" 1 758 1 23 TYR H 1 114 PHE HZ . . 4.680 4.105 3.891 4.218 . 0 0 "[ . 1 . 2]" 1 759 1 131 GLU HA 1 133 GLU H . . 4.770 4.708 4.361 4.734 . 0 0 "[ . 1 . 2]" 1 760 1 132 PRO HD3 1 133 GLU H . . 4.640 4.275 4.156 4.285 . 0 0 "[ . 1 . 2]" 1 761 1 132 PRO HD2 1 133 GLU H . . 4.380 3.039 2.976 3.046 . 0 0 "[ . 1 . 2]" 1 762 1 133 GLU H 1 133 GLU HG3 . . 4.140 3.218 2.098 3.557 . 0 0 "[ . 1 . 2]" 1 763 1 45 ASN H 1 45 ASN HD21 . . 4.820 3.838 3.355 4.341 . 0 0 "[ . 1 . 2]" 1 764 1 44 SER HA 1 45 ASN H . . 3.210 2.439 2.250 2.626 . 0 0 "[ . 1 . 2]" 1 765 1 44 SER HB3 1 45 ASN H . . 3.440 3.241 2.938 3.439 . 0 0 "[ . 1 . 2]" 1 766 1 44 SER HB2 1 45 ASN H . . 3.530 2.533 2.167 3.093 . 0 0 "[ . 1 . 2]" 1 767 1 45 ASN H 1 45 ASN HB2 . . 3.850 2.682 2.475 2.795 . 0 0 "[ . 1 . 2]" 1 768 1 45 ASN H 1 45 ASN HB3 . . 3.850 3.600 3.576 3.616 . 0 0 "[ . 1 . 2]" 1 769 1 35 TRP HE1 1 54 GLU H . . 4.250 3.902 3.366 4.222 . 0 0 "[ . 1 . 2]" 1 770 1 53 GLY HA2 1 54 GLU H . . 3.100 2.481 2.407 2.523 . 0 0 "[ . 1 . 2]" 1 771 1 53 GLY HA3 1 54 GLU H . . 3.190 2.650 2.604 2.733 . 0 0 "[ . 1 . 2]" 1 772 1 54 GLU H 1 54 GLU HB2 . . 3.850 2.486 2.293 2.884 . 0 0 "[ . 1 . 2]" 1 773 1 54 GLU H 1 54 GLU HB3 . . 3.850 3.392 3.157 3.853 0.003 20 0 "[ . 1 . 2]" 1 774 1 54 GLU H 1 55 GLY HA3 . . 4.720 4.515 4.184 4.710 . 0 0 "[ . 1 . 2]" 1 775 1 88 LEU H 1 88 LEU MD2 . . 4.660 4.155 4.025 4.511 . 0 0 "[ . 1 . 2]" 1 776 1 88 LEU H 1 121 THR HA . . 3.680 3.041 2.858 3.362 . 0 0 "[ . 1 . 2]" 1 777 1 88 LEU H 1 88 LEU HB3 . . 3.430 2.795 2.564 2.870 . 0 0 "[ . 1 . 2]" 1 778 1 88 LEU H 1 120 VAL HB . . 5.270 4.398 4.204 4.541 . 0 0 "[ . 1 . 2]" 1 779 1 87 VAL HB 1 88 LEU H . . 4.470 3.947 3.839 4.191 . 0 0 "[ . 1 . 2]" 1 780 1 88 LEU H 1 88 LEU HB2 . . 3.800 2.810 2.713 3.064 . 0 0 "[ . 1 . 2]" 1 781 1 88 LEU H 1 120 VAL MG1 . . 5.450 4.797 4.426 5.001 . 0 0 "[ . 1 . 2]" 1 782 1 54 GLU H 1 56 GLY H . . 5.390 4.728 4.453 4.900 . 0 0 "[ . 1 . 2]" 1 783 1 56 GLY H 1 59 GLU HB3 . . 4.870 3.582 2.999 3.968 . 0 0 "[ . 1 . 2]" 1 784 1 79 PRO HD3 1 80 ASN H . . 4.090 3.771 3.710 3.789 . 0 0 "[ . 1 . 2]" 1 785 1 79 PRO HD2 1 80 ASN H . . 3.460 2.532 2.421 2.564 . 0 0 "[ . 1 . 2]" 1 786 1 80 ASN H 1 80 ASN HB3 . . 3.710 3.554 2.834 3.699 . 0 0 "[ . 1 . 2]" 1 787 1 54 GLU HA 1 56 GLY H . . 4.570 3.402 3.220 3.707 . 0 0 "[ . 1 . 2]" 1 788 1 35 TRP HE1 1 56 GLY H . . 4.190 3.061 2.890 3.215 . 0 0 "[ . 1 . 2]" 1 789 1 55 GLY H 1 56 GLY H . . 3.610 2.459 2.183 2.601 . 0 0 "[ . 1 . 2]" 1 790 1 35 TRP HD1 1 56 GLY H . . 3.090 2.069 1.949 2.357 . 0 0 "[ . 1 . 2]" 1 791 1 12 LEU H 1 13 SER H . . 3.270 2.631 2.413 2.764 . 0 0 "[ . 1 . 2]" 1 792 1 13 SER H 1 15 ASN H . . 4.760 3.913 3.469 4.125 . 0 0 "[ . 1 . 2]" 1 793 1 12 LEU HB3 1 13 SER H . . 4.870 4.373 4.311 4.464 . 0 0 "[ . 1 . 2]" 1 794 1 12 LEU HB2 1 13 SER H . . 4.870 4.049 4.004 4.149 . 0 0 "[ . 1 . 2]" 1 795 1 123 ASN H 1 123 ASN HD22 . . 4.680 3.878 2.928 4.606 . 0 0 "[ . 1 . 2]" 1 796 1 97 ASN H 1 97 ASN HD22 . . 4.990 4.043 3.934 4.197 . 0 0 "[ . 1 . 2]" 1 797 1 97 ASN HD22 1 99 VAL H . . 4.770 4.034 3.811 4.469 . 0 0 "[ . 1 . 2]" 1 798 1 12 LEU HA 1 15 ASN H . . 4.510 3.775 3.698 3.838 . 0 0 "[ . 1 . 2]" 1 799 1 15 ASN H 1 15 ASN HD22 . . 4.230 3.382 3.154 4.124 . 0 0 "[ . 1 . 2]" 1 800 1 15 ASN H 1 15 ASN HD21 . . 4.070 2.544 2.057 4.096 0.026 17 0 "[ . 1 . 2]" 1 801 1 15 ASN H 1 16 GLY HA2 . . 4.570 4.518 4.388 4.592 0.022 17 0 "[ . 1 . 2]" 1 802 1 15 ASN H 1 15 ASN HB2 . . 3.740 2.874 2.733 3.587 . 0 0 "[ . 1 . 2]" 1 803 1 15 ASN H 1 15 ASN HB3 . . 3.740 3.673 3.305 3.739 . 0 0 "[ . 1 . 2]" 1 804 1 14 ARG HG2 1 15 ASN H . . 4.890 4.800 4.629 4.895 0.005 10 0 "[ . 1 . 2]" 1 805 1 15 ASN H 1 19 LEU MD1 . . 4.190 3.232 2.916 3.689 . 0 0 "[ . 1 . 2]" 1 806 1 56 GLY HA2 1 58 GLU H . . 4.690 4.636 4.416 4.690 . 5 0 "[ . 1 . 2]" 1 807 1 58 GLU H 1 58 GLU HG2 . . 4.070 3.310 2.633 3.992 . 0 0 "[ . 1 . 2]" 1 808 1 58 GLU H 1 58 GLU HB3 . . 3.760 3.552 3.471 3.598 . 0 0 "[ . 1 . 2]" 1 809 1 57 LEU HB2 1 58 GLU H . . 3.450 2.857 2.535 2.960 . 0 0 "[ . 1 . 2]" 1 810 1 57 LEU HB3 1 58 GLU H . . 4.190 3.921 3.768 3.979 . 0 0 "[ . 1 . 2]" 1 811 1 57 LEU MD1 1 58 GLU H . . 5.070 4.074 3.624 4.356 . 0 0 "[ . 1 . 2]" 1 812 1 58 GLU H 1 132 PRO HG3 . . 4.570 3.691 3.166 4.423 . 0 0 "[ . 1 . 2]" 1 813 1 57 LEU MD2 1 58 GLU H . . 5.070 4.999 4.871 5.059 . 0 0 "[ . 1 . 2]" 1 814 1 102 GLY HA2 1 104 CYS H . . 4.510 4.219 4.150 4.456 . 0 0 "[ . 1 . 2]" 1 815 1 101 LYS HA 1 104 CYS H . . 3.950 3.642 3.574 3.695 . 0 0 "[ . 1 . 2]" 1 816 1 104 CYS H 1 104 CYS HB2 . . 3.680 3.270 2.140 3.636 . 0 0 "[ . 1 . 2]" 1 817 1 104 CYS H 1 104 CYS HB3 . . 3.680 2.818 2.563 3.535 . 0 0 "[ . 1 . 2]" 1 818 1 104 CYS H 1 104 CYS HG . . 4.540 3.368 2.427 4.235 . 0 0 "[ . 1 . 2]" 1 819 1 100 ARG HG2 1 104 CYS H . . 5.500 5.442 5.269 5.501 0.001 14 0 "[ . 1 . 2]" 1 820 1 101 LYS HB3 1 104 CYS H . . 5.500 5.499 5.490 5.501 0.001 20 0 "[ . 1 . 2]" 1 821 1 103 ALA MB 1 104 CYS H . . 3.030 2.853 2.673 2.963 . 0 0 "[ . 1 . 2]" 1 822 1 69 VAL MG1 1 104 CYS H . . 5.500 5.460 5.105 5.501 0.001 18 0 "[ . 1 . 2]" 1 823 1 69 VAL MG2 1 104 CYS H . . 5.500 4.791 4.511 4.940 . 0 0 "[ . 1 . 2]" 1 824 1 8 MET HA 1 45 ASN HD21 . . 4.160 3.321 2.530 4.161 0.001 17 0 "[ . 1 . 2]" 1 825 1 45 ASN H 1 45 ASN HD22 . . 4.820 3.976 3.557 4.528 . 0 0 "[ . 1 . 2]" 1 826 1 45 ASN HD22 1 107 HIS HE1 . . 4.680 4.162 3.568 4.656 . 0 0 "[ . 1 . 2]" 1 827 1 8 MET HA 1 45 ASN HD22 . . 4.160 3.152 1.984 4.106 . 0 0 "[ . 1 . 2]" 1 828 1 45 ASN HB2 1 45 ASN HD22 . . 4.040 3.577 3.443 4.035 . 0 0 "[ . 1 . 2]" 1 829 1 45 ASN HB3 1 45 ASN HD22 . . 4.040 3.713 3.456 3.868 . 0 0 "[ . 1 . 2]" 1 830 1 81 SER H 1 83 LEU H . . 4.610 4.566 4.511 4.612 0.002 6 0 "[ . 1 . 2]" 1 831 1 91 TRP H 1 91 TRP HD1 . . 5.120 5.032 4.977 5.087 . 0 0 "[ . 1 . 2]" 1 832 1 71 TYR HA 1 91 TRP H . . 3.820 2.969 2.726 3.172 . 0 0 "[ . 1 . 2]" 1 833 1 90 ASN HA 1 91 TRP H . . 2.930 2.374 2.334 2.400 . 0 0 "[ . 1 . 2]" 1 834 1 90 ASN HB2 1 91 TRP H . . 4.730 4.554 4.501 4.608 . 0 0 "[ . 1 . 2]" 1 835 1 91 TRP H 1 91 TRP HB3 . . 3.140 2.530 2.487 2.585 . 0 0 "[ . 1 . 2]" 1 836 1 91 TRP H 1 91 TRP HB2 . . 3.410 2.533 2.480 2.579 . 0 0 "[ . 1 . 2]" 1 837 1 70 MET HB2 1 91 TRP H . . 4.860 4.770 4.653 4.860 . 0 0 "[ . 1 . 2]" 1 838 1 72 ALA MB 1 91 TRP H . . 4.970 4.101 3.798 4.277 . 0 0 "[ . 1 . 2]" 1 839 1 91 TRP H 1 124 ALA MB . . 5.500 5.211 5.128 5.298 . 0 0 "[ . 1 . 2]" 1 840 1 89 ILE MG 1 91 TRP H . . 3.990 2.979 2.797 3.131 . 0 0 "[ . 1 . 2]" 1 841 1 81 SER H 1 81 SER HG . . 4.220 3.717 2.962 4.220 0.000 6 0 "[ . 1 . 2]" 1 842 1 81 SER H 1 140 ALA HA . . 5.500 5.497 5.483 5.501 0.001 19 0 "[ . 1 . 2]" 1 843 1 81 SER H 1 81 SER HB2 . . 3.940 2.929 2.078 3.425 . 0 0 "[ . 1 . 2]" 1 844 1 81 SER H 1 81 SER HB3 . . 3.940 2.839 2.106 3.511 . 0 0 "[ . 1 . 2]" 1 845 1 78 ASP HB2 1 81 SER H . . 4.390 3.737 3.514 3.826 . 0 0 "[ . 1 . 2]" 1 846 1 80 ASN HB3 1 81 SER H . . 3.920 3.743 3.623 3.921 0.001 6 0 "[ . 1 . 2]" 1 847 1 78 ASP HB3 1 81 SER H . . 4.390 2.356 2.158 2.420 . 0 0 "[ . 1 . 2]" 1 848 1 11 ASN HD21 1 13 SER H . . 4.550 2.970 2.394 3.669 . 0 0 "[ . 1 . 2]" 1 849 1 11 ASN HD22 1 13 SER H . . 4.550 3.464 2.516 4.088 . 0 0 "[ . 1 . 2]" 1 850 1 91 TRP HE1 1 92 THR HA . . 5.500 5.385 5.254 5.500 0.000 4 0 "[ . 1 . 2]" 1 851 1 65 ASN HA 1 91 TRP HE1 . . 4.930 4.417 4.209 4.525 . 0 0 "[ . 1 . 2]" 1 852 1 91 TRP HE1 1 93 GLY H . . 3.830 3.676 3.460 3.830 . 0 0 "[ . 1 . 2]" 1 853 1 66 SER HA 1 91 TRP HE1 . . 3.710 3.095 2.991 3.284 . 0 0 "[ . 1 . 2]" 1 854 1 91 TRP HE1 1 93 GLY HA3 . . 3.980 3.915 3.704 3.980 0.000 16 0 "[ . 1 . 2]" 1 855 1 64 LEU HA 1 91 TRP HE1 . . 4.640 4.229 3.960 4.484 . 0 0 "[ . 1 . 2]" 1 856 1 91 TRP HE1 1 93 GLY HA2 . . 4.410 4.280 3.821 4.411 0.001 12 0 "[ . 1 . 2]" 1 857 1 70 MET HG3 1 91 TRP HE1 . . 4.320 3.908 3.827 3.985 . 0 0 "[ . 1 . 2]" 1 858 1 65 ASN HB2 1 91 TRP HE1 . . 5.070 4.625 4.309 4.816 . 0 0 "[ . 1 . 2]" 1 859 1 65 ASN HB3 1 91 TRP HE1 . . 5.310 4.146 3.968 4.299 . 0 0 "[ . 1 . 2]" 1 860 1 70 MET HG2 1 91 TRP HE1 . . 5.500 5.477 5.398 5.500 . 11 0 "[ . 1 . 2]" 1 861 1 70 MET HB2 1 91 TRP HE1 . . 4.870 4.539 4.426 4.668 . 0 0 "[ . 1 . 2]" 1 862 1 64 LEU HB3 1 91 TRP HE1 . . 4.570 3.777 3.578 3.988 . 0 0 "[ . 1 . 2]" 1 863 1 27 VAL H 1 28 THR HG1 . . 4.870 4.418 3.953 4.850 . 0 0 "[ . 1 . 2]" 1 864 1 24 VAL HA 1 27 VAL H . . 3.790 3.682 3.639 3.737 . 0 0 "[ . 1 . 2]" 1 865 1 27 VAL H 1 27 VAL HB . . 3.710 3.663 3.622 3.684 . 0 0 "[ . 1 . 2]" 1 866 1 26 VAL MG1 1 27 VAL H . . 4.430 3.620 3.402 3.711 . 0 0 "[ . 1 . 2]" 1 867 1 26 VAL MG2 1 27 VAL H . . 4.430 3.903 3.801 3.964 . 0 0 "[ . 1 . 2]" 1 868 1 71 TYR H 1 72 ALA H . . 4.770 4.296 4.196 4.390 . 0 0 "[ . 1 . 2]" 1 869 1 72 ALA H 1 91 TRP H . . 4.770 3.462 3.280 3.595 . 0 0 "[ . 1 . 2]" 1 870 1 71 TYR HA 1 72 ALA H . . 2.790 2.152 2.138 2.184 . 0 0 "[ . 1 . 2]" 1 871 1 72 ALA H 1 90 ASN HA . . 4.470 4.174 3.972 4.420 . 0 0 "[ . 1 . 2]" 1 872 1 71 TYR HB3 1 72 ALA H . . 4.160 3.299 3.090 3.466 . 0 0 "[ . 1 . 2]" 1 873 1 71 TYR HB2 1 72 ALA H . . 4.540 4.209 4.049 4.320 . 0 0 "[ . 1 . 2]" 1 874 1 72 ALA H 1 89 ILE HB . . 3.630 3.120 2.879 3.219 . 0 0 "[ . 1 . 2]" 1 875 1 60 MET ME 1 72 ALA H . . 5.500 5.470 5.349 5.500 0.000 6 0 "[ . 1 . 2]" 1 876 1 72 ALA H 1 89 ILE HG13 . . 5.500 5.336 5.196 5.500 0.000 16 0 "[ . 1 . 2]" 1 877 1 72 ALA H 1 89 ILE MD . . 4.640 4.418 3.802 4.640 . 11 0 "[ . 1 . 2]" 1 878 1 88 LEU H 1 122 ILE H . . 4.510 4.099 3.783 4.308 . 0 0 "[ . 1 . 2]" 1 879 1 121 THR HB 1 122 ILE H . . 4.610 3.983 3.674 4.397 . 0 0 "[ . 1 . 2]" 1 880 1 89 ILE HG13 1 122 ILE H . . 4.510 4.240 3.674 4.510 . 0 0 "[ . 1 . 2]" 1 881 1 121 THR HA 1 122 ILE H . . 2.830 2.195 2.143 2.242 . 0 0 "[ . 1 . 2]" 1 882 1 89 ILE HA 1 122 ILE H . . 3.500 2.938 2.748 3.085 . 0 0 "[ . 1 . 2]" 1 883 1 88 LEU HB3 1 122 ILE H . . 4.640 3.831 3.504 4.100 . 0 0 "[ . 1 . 2]" 1 884 1 122 ILE H 1 122 ILE HG13 . . 3.870 2.879 2.494 3.071 . 0 0 "[ . 1 . 2]" 1 885 1 121 THR MG 1 122 ILE H . . 3.270 2.450 1.977 3.169 . 0 0 "[ . 1 . 2]" 1 886 1 139 VAL HA 1 141 SER H . . 4.680 4.276 4.026 4.528 . 0 0 "[ . 1 . 2]" 1 887 1 122 ILE H 1 122 ILE HB . . 3.290 2.769 2.542 2.903 . 0 0 "[ . 1 . 2]" 1 888 1 122 ILE H 1 122 ILE MG . . 4.020 3.898 3.808 3.953 . 0 0 "[ . 1 . 2]" 1 889 1 140 ALA HA 1 141 SER H . . 3.550 3.519 3.462 3.550 . 0 0 "[ . 1 . 2]" 1 890 1 138 LYS HA 1 141 SER H . . 3.730 3.344 3.181 3.456 . 0 0 "[ . 1 . 2]" 1 891 1 141 SER H 1 141 SER HB2 . . 3.550 2.454 2.092 3.415 . 0 0 "[ . 1 . 2]" 1 892 1 141 SER H 1 141 SER HB3 . . 3.550 2.944 2.163 3.516 . 0 0 "[ . 1 . 2]" 1 893 1 140 ALA MB 1 141 SER H . . 3.300 2.629 2.468 2.866 . 0 0 "[ . 1 . 2]" 1 894 1 70 MET H 1 93 GLY H . . 4.770 4.479 4.301 4.629 . 0 0 "[ . 1 . 2]" 1 895 1 91 TRP HD1 1 93 GLY H . . 3.910 3.881 3.651 3.909 . 0 0 "[ . 1 . 2]" 1 896 1 66 SER HA 1 93 GLY H . . 4.690 4.330 3.978 4.690 . 0 0 "[ . 1 . 2]" 1 897 1 92 THR HA 1 93 GLY H . . 2.830 2.278 2.216 2.346 . 0 0 "[ . 1 . 2]" 1 898 1 28 THR HA 1 29 GLU H . . 2.840 2.151 2.143 2.179 . 0 0 "[ . 1 . 2]" 1 899 1 123 ASN H 1 123 ASN HD21 . . 4.680 3.396 2.250 4.534 . 0 0 "[ . 1 . 2]" 1 900 1 122 ILE HA 1 123 ASN H . . 2.780 2.170 2.153 2.193 . 0 0 "[ . 1 . 2]" 1 901 1 123 ASN H 1 123 ASN HB2 . . 3.810 3.017 2.375 3.656 . 0 0 "[ . 1 . 2]" 1 902 1 123 ASN H 1 123 ASN HB3 . . 3.810 3.530 3.084 3.751 . 0 0 "[ . 1 . 2]" 1 903 1 122 ILE HB 1 123 ASN H . . 4.570 4.077 4.022 4.169 . 0 0 "[ . 1 . 2]" 1 904 1 121 THR MG 1 123 ASN H . . 4.830 4.440 4.161 4.640 . 0 0 "[ . 1 . 2]" 1 905 1 122 ILE HG12 1 123 ASN H . . 5.080 4.392 4.312 4.492 . 0 0 "[ . 1 . 2]" 1 906 1 122 ILE MD 1 123 ASN H . . 5.070 5.051 5.004 5.070 0.000 20 0 "[ . 1 . 2]" 1 907 1 81 SER HG 1 82 GLY H . . 4.640 4.186 3.402 4.643 0.003 6 0 "[ . 1 . 2]" 1 908 1 78 ASP H 1 82 GLY H . . 4.390 3.687 2.937 4.071 . 0 0 "[ . 1 . 2]" 1 909 1 79 PRO HA 1 82 GLY H . . 4.750 4.575 4.442 4.751 0.001 6 0 "[ . 1 . 2]" 1 910 1 81 SER HB2 1 82 GLY H . . 4.570 3.443 2.508 4.216 . 0 0 "[ . 1 . 2]" 1 911 1 82 GLY H 1 83 LEU MD1 . . 5.500 5.379 5.044 5.500 . 0 0 "[ . 1 . 2]" 1 912 1 82 GLY H 1 83 LEU MD2 . . 5.500 5.475 5.263 5.500 . 0 0 "[ . 1 . 2]" 1 913 1 122 ILE H 1 123 ASN H . . 4.870 4.331 4.239 4.514 . 0 0 "[ . 1 . 2]" 1 914 1 123 ASN H 1 124 ALA MB . . 4.930 4.675 4.612 4.746 . 0 0 "[ . 1 . 2]" 1 915 1 111 MET H 1 113 SER H . . 4.450 4.326 4.223 4.417 . 0 0 "[ . 1 . 2]" 1 916 1 113 SER H 1 114 PHE H . . 2.990 2.614 2.510 2.713 . 0 0 "[ . 1 . 2]" 1 917 1 111 MET HA 1 113 SER H . . 4.340 4.319 4.223 4.340 0.000 15 0 "[ . 1 . 2]" 1 918 1 109 SER HA 1 113 SER H . . 5.070 4.626 4.462 4.804 . 0 0 "[ . 1 . 2]" 1 919 1 113 SER H 1 113 SER HB3 . . 3.520 3.255 2.613 3.503 . 0 0 "[ . 1 . 2]" 1 920 1 113 SER H 1 114 PHE HB2 . . 5.320 5.109 4.987 5.220 . 0 0 "[ . 1 . 2]" 1 921 1 113 SER H 1 114 PHE HB3 . . 4.820 4.698 4.624 4.756 . 0 0 "[ . 1 . 2]" 1 922 1 112 ALA MB 1 113 SER H . . 3.190 2.552 2.476 2.613 . 0 0 "[ . 1 . 2]" 1 923 1 110 THR MG 1 113 SER H . . 4.820 4.624 4.466 4.766 . 0 0 "[ . 1 . 2]" 1 924 1 11 ASN HD21 1 14 ARG H . . 4.610 2.862 2.533 3.368 . 0 0 "[ . 1 . 2]" 1 925 1 11 ASN HD22 1 14 ARG H . . 4.610 3.396 2.650 4.194 . 0 0 "[ . 1 . 2]" 1 926 1 13 SER HB3 1 14 ARG H . . 4.140 3.184 2.001 4.092 . 0 0 "[ . 1 . 2]" 1 927 1 74 CYS HA 1 75 ARG H . . 2.860 2.442 2.324 2.531 . 0 0 "[ . 1 . 2]" 1 928 1 74 CYS HB2 1 75 ARG H . . 4.070 3.964 3.853 4.068 . 0 0 "[ . 1 . 2]" 1 929 1 75 ARG H 1 75 ARG HB2 . . 3.590 3.258 3.135 3.347 . 0 0 "[ . 1 . 2]" 1 930 1 75 ARG H 1 75 ARG HB3 . . 3.590 2.771 2.677 2.855 . 0 0 "[ . 1 . 2]" 1 931 1 123 ASN HA 1 124 ALA H . . 2.710 2.284 2.236 2.341 . 0 0 "[ . 1 . 2]" 1 932 1 91 TRP HA 1 124 ALA H . . 4.290 4.284 4.236 4.291 0.001 15 0 "[ . 1 . 2]" 1 933 1 89 ILE HA 1 124 ALA H . . 4.820 4.333 4.191 4.497 . 0 0 "[ . 1 . 2]" 1 934 1 90 ASN HB2 1 124 ALA H . . 4.380 3.850 3.680 3.987 . 0 0 "[ . 1 . 2]" 1 935 1 123 ASN HB2 1 124 ALA H . . 4.780 4.298 3.994 4.577 . 0 0 "[ . 1 . 2]" 1 936 1 123 ASN HB3 1 124 ALA H . . 4.780 4.242 4.036 4.528 . 0 0 "[ . 1 . 2]" 1 937 1 124 ALA H 1 124 ALA MB . . 3.030 2.327 2.273 2.396 . 0 0 "[ . 1 . 2]" 1 938 1 89 ILE MG 1 124 ALA H . . 3.700 2.702 2.538 2.852 . 0 0 "[ . 1 . 2]" 1 939 1 75 ARG H 1 75 ARG HG2 . . 5.360 4.445 4.411 4.463 . 0 0 "[ . 1 . 2]" 1 940 1 96 VAL HA 1 97 ASN H . . 2.860 2.148 2.141 2.167 . 0 0 "[ . 1 . 2]" 1 941 1 97 ASN H 1 97 ASN HB3 . . 3.750 2.755 2.717 2.772 . 0 0 "[ . 1 . 2]" 1 942 1 97 ASN H 1 97 ASN HB2 . . 3.790 3.568 3.565 3.574 . 0 0 "[ . 1 . 2]" 1 943 1 97 ASN H 1 100 ARG HB3 . . 4.610 3.635 3.351 3.952 . 0 0 "[ . 1 . 2]" 1 944 1 96 VAL MG2 1 97 ASN H . . 4.270 3.895 2.443 4.214 . 0 0 "[ . 1 . 2]" 1 945 1 96 VAL MG1 1 97 ASN H . . 4.270 2.985 2.545 4.084 . 0 0 "[ . 1 . 2]" 1 946 1 90 ASN H 1 90 ASN HD21 . . 4.100 2.906 2.168 3.385 . 0 0 "[ . 1 . 2]" 1 947 1 90 ASN H 1 90 ASN HD22 . . 4.770 4.262 3.851 4.611 . 0 0 "[ . 1 . 2]" 1 948 1 89 ILE HA 1 90 ASN H . . 2.700 2.160 2.156 2.168 . 0 0 "[ . 1 . 2]" 1 949 1 90 ASN H 1 90 ASN HB2 . . 3.380 2.325 2.233 2.430 . 0 0 "[ . 1 . 2]" 1 950 1 90 ASN H 1 90 ASN HB3 . . 3.770 3.570 3.470 3.642 . 0 0 "[ . 1 . 2]" 1 951 1 90 ASN H 1 124 ALA MB . . 4.610 4.522 4.344 4.611 0.001 12 0 "[ . 1 . 2]" 1 952 1 89 ILE MG 1 90 ASN H . . 3.390 2.374 2.223 2.599 . 0 0 "[ . 1 . 2]" 1 953 1 89 ILE MD 1 90 ASN H . . 5.220 5.200 5.179 5.224 0.004 8 0 "[ . 1 . 2]" 1 954 1 77 LYS H 1 78 ASP H . . 4.870 4.523 4.468 4.598 . 0 0 "[ . 1 . 2]" 1 955 1 78 ASP H 1 84 PRO HA . . 4.620 4.255 3.831 4.619 . 0 0 "[ . 1 . 2]" 1 956 1 77 LYS HA 1 78 ASP H . . 2.840 2.198 2.170 2.240 . 0 0 "[ . 1 . 2]" 1 957 1 78 ASP H 1 78 ASP HB2 . . 3.470 2.082 2.074 2.116 . 0 0 "[ . 1 . 2]" 1 958 1 78 ASP H 1 78 ASP HB3 . . 3.470 3.323 3.289 3.363 . 0 0 "[ . 1 . 2]" 1 959 1 77 LYS HB2 1 78 ASP H . . 4.070 3.046 2.898 3.171 . 0 0 "[ . 1 . 2]" 1 960 1 78 ASP H 1 85 LYS HB2 . . 5.030 4.303 3.655 4.978 . 0 0 "[ . 1 . 2]" 1 961 1 78 ASP H 1 85 LYS HG3 . . 4.190 3.031 2.416 3.645 . 0 0 "[ . 1 . 2]" 1 962 1 78 ASP H 1 85 LYS HG2 . . 4.170 3.718 3.370 4.114 . 0 0 "[ . 1 . 2]" 1 963 1 92 THR H 1 124 ALA H . . 5.100 4.971 4.717 5.100 . 0 0 "[ . 1 . 2]" 1 964 1 92 THR H 1 93 GLY H . . 4.540 3.645 3.472 3.846 . 0 0 "[ . 1 . 2]" 1 965 1 91 TRP HE3 1 92 THR H . . 4.420 3.534 3.180 3.823 . 0 0 "[ . 1 . 2]" 1 966 1 91 TRP HB3 1 92 THR H . . 4.570 4.264 4.223 4.392 . 0 0 "[ . 1 . 2]" 1 967 1 103 ALA HA 1 106 SER H . . 5.310 3.915 3.719 4.064 . 0 0 "[ . 1 . 2]" 1 968 1 91 TRP H 1 92 THR H . . 4.540 4.522 4.431 4.541 0.001 12 0 "[ . 1 . 2]" 1 969 1 91 TRP HA 1 92 THR H . . 2.670 2.146 2.139 2.150 . 0 0 "[ . 1 . 2]" 1 970 1 92 THR H 1 125 ARG HA . . 3.530 2.218 2.058 2.501 . 0 0 "[ . 1 . 2]" 1 971 1 92 THR H 1 92 THR HB . . 3.270 2.910 2.726 3.015 . 0 0 "[ . 1 . 2]" 1 972 1 91 TRP HB2 1 92 THR H . . 4.450 4.235 4.177 4.331 . 0 0 "[ . 1 . 2]" 1 973 1 69 VAL MG1 1 92 THR H . . 5.500 5.014 4.834 5.229 . 0 0 "[ . 1 . 2]" 1 974 1 69 VAL MG2 1 92 THR H . . 5.500 5.406 5.237 5.500 . 0 0 "[ . 1 . 2]" 1 975 1 92 THR H 1 92 THR MG . . 4.140 3.961 3.892 3.993 . 0 0 "[ . 1 . 2]" 1 976 1 89 ILE MG 1 92 THR H . . 5.020 4.844 4.764 4.895 . 0 0 "[ . 1 . 2]" 1 977 1 90 ASN HB2 1 90 ASN HD21 . . 3.500 2.196 2.114 2.518 . 0 0 "[ . 1 . 2]" 1 978 1 90 ASN HD21 1 121 THR MG . . 3.370 2.686 2.293 3.055 . 0 0 "[ . 1 . 2]" 1 979 1 90 ASN HB2 1 90 ASN HD22 . . 3.820 3.466 3.434 3.597 . 0 0 "[ . 1 . 2]" 1 980 1 90 ASN HD22 1 121 THR MG . . 3.620 2.762 2.469 3.261 . 0 0 "[ . 1 . 2]" 1 981 1 115 LEU HG 1 116 LYS H . . 5.370 5.107 5.030 5.224 . 0 0 "[ . 1 . 2]" 1 982 1 115 LEU H 1 115 LEU HB3 . . 3.680 3.633 3.607 3.679 . 0 0 "[ . 1 . 2]" 1 983 1 113 SER H 1 115 LEU H . . 4.570 4.402 4.157 4.570 0.000 18 0 "[ . 1 . 2]" 1 984 1 114 PHE H 1 114 PHE QD . . 4.340 4.178 4.175 4.181 . 0 0 "[ . 1 . 2]" 1 985 1 112 ALA H 1 114 PHE H . . 4.390 4.222 4.076 4.376 . 0 0 "[ . 1 . 2]" 1 986 1 111 MET H 1 111 MET HG2 . . 3.730 2.554 2.362 2.685 . 0 0 "[ . 1 . 2]" 1 987 1 106 SER H 1 107 HIS H . . 4.570 2.645 2.541 2.728 . 0 0 "[ . 1 . 2]" 1 988 1 104 CYS H 1 105 ALA H . . 3.020 2.387 2.316 2.612 . 0 0 "[ . 1 . 2]" 1 989 1 105 ALA H 1 106 SER H . . 3.340 2.743 2.639 2.853 . 0 0 "[ . 1 . 2]" 1 990 1 105 ALA H 1 107 HIS H . . 4.450 4.156 4.052 4.269 . 0 0 "[ . 1 . 2]" 1 991 1 102 GLY H 1 103 ALA MB . . 4.190 4.072 3.957 4.190 0.000 6 0 "[ . 1 . 2]" 1 992 1 100 ARG H 1 100 ARG HB3 . . 3.070 2.463 2.360 2.504 . 0 0 "[ . 1 . 2]" 1 993 1 97 ASN HA 1 100 ARG H . . 4.930 4.798 4.598 4.911 . 0 0 "[ . 1 . 2]" 1 994 1 98 ASP HA 1 100 ARG H . . 4.610 3.835 3.749 3.941 . 0 0 "[ . 1 . 2]" 1 995 1 97 ASN H 1 100 ARG H . . 4.640 4.558 4.490 4.622 . 0 0 "[ . 1 . 2]" 1 996 1 99 VAL H 1 100 ARG H . . 3.040 2.701 2.631 2.736 . 0 0 "[ . 1 . 2]" 1 997 1 98 ASP H 1 99 VAL H . . 3.740 2.535 2.389 2.806 . 0 0 "[ . 1 . 2]" 1 998 1 96 VAL HB 1 97 ASN H . . 4.340 4.222 4.087 4.339 . 0 0 "[ . 1 . 2]" 1 999 1 92 THR MG 1 96 VAL H . . 5.500 4.829 4.502 5.354 . 0 0 "[ . 1 . 2]" 1 1000 1 66 SER HB2 1 94 GLU H . . 4.640 3.862 2.666 4.522 . 0 0 "[ . 1 . 2]" 1 1001 1 93 GLY H 1 94 GLU H . . 4.860 4.617 4.564 4.644 . 0 0 "[ . 1 . 2]" 1 1002 1 92 THR MG 1 93 GLY H . . 3.900 3.490 3.360 3.651 . 0 0 "[ . 1 . 2]" 1 1003 1 91 TRP HZ2 1 93 GLY H . . 5.390 4.928 4.384 5.267 . 0 0 "[ . 1 . 2]" 1 1004 1 90 ASN HB3 1 91 TRP H . . 4.430 4.198 4.150 4.225 . 0 0 "[ . 1 . 2]" 1 1005 1 89 ILE HB 1 90 ASN H . . 4.640 4.136 4.089 4.157 . 0 0 "[ . 1 . 2]" 1 1006 1 90 ASN H 1 122 ILE HB . . 4.520 4.318 4.153 4.488 . 0 0 "[ . 1 . 2]" 1 1007 1 89 ILE HG13 1 90 ASN H . . 4.940 4.759 4.532 4.897 . 0 0 "[ . 1 . 2]" 1 1008 1 90 ASN H 1 124 ALA H . . 4.420 3.183 2.958 3.314 . 0 0 "[ . 1 . 2]" 1 1009 1 90 ASN H 1 91 TRP H . . 4.540 3.784 3.721 3.859 . 0 0 "[ . 1 . 2]" 1 1010 1 72 ALA H 1 89 ILE H . . 3.520 3.343 3.134 3.493 . 0 0 "[ . 1 . 2]" 1 1011 1 89 ILE H 1 90 ASN H . . 4.680 4.391 4.331 4.461 . 0 0 "[ . 1 . 2]" 1 1012 1 89 ILE H 1 89 ILE MG . . 3.960 3.849 3.809 3.905 . 0 0 "[ . 1 . 2]" 1 1013 1 48 ARG H 1 48 ARG HG2 . . 4.180 2.974 2.531 3.229 . 0 0 "[ . 1 . 2]" 1 1014 1 87 VAL MG2 1 88 LEU H . . 4.340 3.996 3.901 4.095 . 0 0 "[ . 1 . 2]" 1 1015 1 88 LEU H 1 118 ALA MB . . 3.580 2.993 2.509 3.281 . 0 0 "[ . 1 . 2]" 1 1016 1 73 PHE HA 1 87 VAL H . . 4.730 4.575 4.287 4.730 . 0 0 "[ . 1 . 2]" 1 1017 1 87 VAL H 1 87 VAL MG2 . . 4.240 2.638 2.384 2.964 . 0 0 "[ . 1 . 2]" 1 1018 1 75 ARG HG3 1 85 LYS H . . 5.220 4.658 4.131 5.039 . 0 0 "[ . 1 . 2]" 1 1019 1 145 SER HB2 1 146 GLY H . . 5.500 3.586 2.201 4.542 . 0 0 "[ . 1 . 2]" 1 1020 1 145 SER HB3 1 146 GLY H . . 5.500 3.348 2.195 4.632 . 0 0 "[ . 1 . 2]" 1 1021 1 141 SER HB2 1 142 GLY H . . 5.100 4.472 3.963 4.639 . 0 0 "[ . 1 . 2]" 1 1022 1 141 SER HB3 1 142 GLY H . . 5.100 4.183 3.647 4.570 . 0 0 "[ . 1 . 2]" 1 1023 1 139 VAL MG2 1 141 SER H . . 5.500 5.350 5.182 5.497 . 0 0 "[ . 1 . 2]" 1 1024 1 139 VAL MG1 1 141 SER H . . 5.500 4.989 4.799 5.155 . 0 0 "[ . 1 . 2]" 1 1025 1 139 VAL HB 1 141 SER H . . 5.500 5.083 4.918 5.224 . 0 0 "[ . 1 . 2]" 1 1026 1 140 ALA H 1 141 SER H . . 3.240 2.625 2.470 2.732 . 0 0 "[ . 1 . 2]" 1 1027 1 136 MET HA 1 140 ALA H . . 4.450 4.215 4.129 4.306 . 0 0 "[ . 1 . 2]" 1 1028 1 79 PRO HD2 1 140 ALA H . . 5.120 4.886 4.772 5.039 . 0 0 "[ . 1 . 2]" 1 1029 1 138 LYS HB2 1 139 VAL H . . 3.520 2.933 2.824 2.963 . 0 0 "[ . 1 . 2]" 1 1030 1 138 LYS H 1 139 VAL H . . 3.080 2.183 2.181 2.196 . 0 0 "[ . 1 . 2]" 1 1031 1 137 GLU H 1 138 LYS H . . 3.100 2.581 2.524 2.682 . 0 0 "[ . 1 . 2]" 1 1032 1 136 MET H 1 138 LYS H . . 4.820 4.176 4.111 4.212 . 0 0 "[ . 1 . 2]" 1 1033 1 137 GLU HG2 1 138 LYS H . . 5.500 5.024 4.871 5.386 . 0 0 "[ . 1 . 2]" 1 1034 1 137 GLU HG3 1 138 LYS H . . 5.500 5.162 3.847 5.336 . 0 0 "[ . 1 . 2]" 1 1035 1 135 ILE HA 1 137 GLU H . . 4.610 4.046 3.944 4.257 . 0 0 "[ . 1 . 2]" 1 1036 1 133 GLU HA 1 137 GLU H . . 4.800 3.650 3.496 3.748 . 0 0 "[ . 1 . 2]" 1 1037 1 17 PRO HD3 1 18 ALA H . . 4.290 4.116 4.030 4.184 . 0 0 "[ . 1 . 2]" 1 1038 1 136 MET H 1 136 MET HB2 . . 3.080 2.179 2.155 2.193 . 0 0 "[ . 1 . 2]" 1 1039 1 134 CYS H 1 135 ILE MD . . 4.990 4.785 4.240 4.990 0.000 17 0 "[ . 1 . 2]" 1 1040 1 131 GLU HB3 1 134 CYS H . . 3.370 2.668 2.557 2.710 . 0 0 "[ . 1 . 2]" 1 1041 1 132 PRO HB2 1 133 GLU H . . 2.950 2.200 2.171 2.594 . 0 0 "[ . 1 . 2]" 1 1042 1 132 PRO HB3 1 133 GLU H . . 3.950 3.676 3.655 3.954 0.004 4 0 "[ . 1 . 2]" 1 1043 1 132 PRO HG3 1 133 GLU H . . 5.060 4.482 4.473 4.599 . 0 0 "[ . 1 . 2]" 1 1044 1 131 GLU H 1 135 ILE MD . . 4.730 4.123 3.872 4.323 . 0 0 "[ . 1 . 2]" 1 1045 1 131 GLU H 1 132 PRO HD2 . . 5.120 4.921 4.918 4.924 . 0 0 "[ . 1 . 2]" 1 1046 1 130 VAL H 1 130 VAL MG2 . . 2.850 2.376 2.150 2.389 . 0 0 "[ . 1 . 2]" 1 1047 1 129 ASP H 1 130 VAL H . . 3.000 2.734 2.338 2.756 . 0 0 "[ . 1 . 2]" 1 1048 1 124 ALA H 1 130 VAL MG1 . . 4.470 3.880 3.714 4.012 . 0 0 "[ . 1 . 2]" 1 1049 1 91 TRP HE3 1 124 ALA H . . 5.480 5.331 5.288 5.417 . 0 0 "[ . 1 . 2]" 1 1050 1 123 ASN H 1 124 ALA H . . 4.040 3.872 3.755 3.999 . 0 0 "[ . 1 . 2]" 1 1051 1 122 ILE MG 1 123 ASN H . . 3.410 2.408 2.088 2.631 . 0 0 "[ . 1 . 2]" 1 1052 1 121 THR H 1 121 THR MG . . 3.970 3.866 3.806 3.943 . 0 0 "[ . 1 . 2]" 1 1053 1 117 GLY H 1 118 ALA H . . 3.090 2.723 2.712 2.734 . 0 0 "[ . 1 . 2]" 1 1054 1 117 GLY H 1 118 ALA MB . . 4.640 4.227 4.188 4.266 . 0 0 "[ . 1 . 2]" 1 1055 1 82 GLY H 1 83 LEU H . . 3.160 2.615 2.369 2.702 . 0 0 "[ . 1 . 2]" 1 1056 1 81 SER HB3 1 82 GLY H . . 4.570 3.438 2.467 4.067 . 0 0 "[ . 1 . 2]" 1 1057 1 80 ASN HB2 1 81 SER H . . 3.920 2.525 2.262 3.534 . 0 0 "[ . 1 . 2]" 1 1058 1 80 ASN H 1 80 ASN HB2 . . 3.710 2.878 2.663 3.644 . 0 0 "[ . 1 . 2]" 1 1059 1 77 LYS HB3 1 78 ASP H . . 4.250 4.121 4.027 4.214 . 0 0 "[ . 1 . 2]" 1 1060 1 78 ASP H 1 83 LEU HA . . 4.720 4.650 4.545 4.703 . 0 0 "[ . 1 . 2]" 1 1061 1 77 LYS H 1 77 LYS HD2 . . 5.090 4.539 4.330 4.824 . 0 0 "[ . 1 . 2]" 1 1062 1 77 LYS H 1 77 LYS HD3 . . 5.090 4.128 3.633 4.782 . 0 0 "[ . 1 . 2]" 1 1063 1 76 VAL H 1 85 LYS HB2 . . 4.290 4.032 3.638 4.274 . 0 0 "[ . 1 . 2]" 1 1064 1 76 VAL H 1 76 VAL HB . . 4.060 3.824 3.795 3.884 . 0 0 "[ . 1 . 2]" 1 1065 1 35 TRP HA 1 75 ARG H . . 4.280 3.971 3.808 4.157 . 0 0 "[ . 1 . 2]" 1 1066 1 74 CYS H 1 89 ILE MD . . 5.330 3.906 3.356 4.361 . 0 0 "[ . 1 . 2]" 1 1067 1 35 TRP HA 1 74 CYS H . . 5.210 4.449 4.333 4.551 . 0 0 "[ . 1 . 2]" 1 1068 1 74 CYS H 1 86 PHE HA . . 5.500 5.368 5.070 5.500 . 0 0 "[ . 1 . 2]" 1 1069 1 74 CYS H 1 74 CYS HB2 . . 3.700 2.417 2.299 2.654 . 0 0 "[ . 1 . 2]" 1 1070 1 60 MET ME 1 73 PHE H . . 4.860 4.735 4.276 4.860 0.000 18 0 "[ . 1 . 2]" 1 1071 1 47 ILE MD 1 48 ARG H . . 4.060 3.594 3.510 3.697 . 0 0 "[ . 1 . 2]" 1 1072 1 73 PHE H 1 74 CYS H . . 4.370 3.918 3.730 4.065 . 0 0 "[ . 1 . 2]" 1 1073 1 72 ALA H 1 73 PHE H . . 4.730 4.431 4.357 4.512 . 0 0 "[ . 1 . 2]" 1 1074 1 38 PHE QD 1 71 TYR H . . 4.870 4.243 3.904 4.484 . 0 0 "[ . 1 . 2]" 1 1075 1 68 LYS H 1 68 LYS HB3 . . 3.900 3.833 3.785 3.860 . 0 0 "[ . 1 . 2]" 1 1076 1 68 LYS H 1 70 MET HG3 . . 4.990 4.599 4.482 4.775 . 0 0 "[ . 1 . 2]" 1 1077 1 67 GLY H 1 93 GLY HA3 . . 4.190 1.955 1.949 2.021 . 0 0 "[ . 1 . 2]" 1 1078 1 37 LEU MD1 1 65 ASN H . . 5.500 5.319 4.098 5.500 0.000 12 0 "[ . 1 . 2]" 1 1079 1 65 ASN H 1 91 TRP HZ2 . . 4.770 4.285 3.979 4.532 . 0 0 "[ . 1 . 2]" 1 1080 1 59 GLU HA 1 62 GLU H . . 3.830 3.396 3.231 3.569 . 0 0 "[ . 1 . 2]" 1 1081 1 60 MET HB2 1 61 VAL H . . 4.000 3.814 3.716 3.888 . 0 0 "[ . 1 . 2]" 1 1082 1 59 GLU H 1 61 VAL H . . 4.470 4.207 4.007 4.444 . 0 0 "[ . 1 . 2]" 1 1083 1 61 VAL H 1 63 GLU H . . 4.770 4.183 4.042 4.303 . 0 0 "[ . 1 . 2]" 1 1084 1 58 GLU H 1 58 GLU HB2 . . 3.760 2.379 2.158 2.676 . 0 0 "[ . 1 . 2]" 1 1085 1 56 GLY HA3 1 58 GLU H . . 4.690 3.409 3.283 3.559 . 0 0 "[ . 1 . 2]" 1 1086 1 57 LEU H 1 58 GLU H . . 3.450 2.402 2.225 2.778 . 0 0 "[ . 1 . 2]" 1 1087 1 52 THR HA 1 53 GLY H . . 2.890 2.241 2.202 2.630 . 0 0 "[ . 1 . 2]" 1 1088 1 52 THR HB 1 53 GLY H . . 3.000 2.888 1.975 3.001 0.001 10 0 "[ . 1 . 2]" 1 1089 1 36 ALA HA 1 52 THR H . . 5.500 5.084 4.950 5.260 . 0 0 "[ . 1 . 2]" 1 1090 1 49 VAL H 1 49 VAL HB . . 3.030 2.582 2.497 2.708 . 0 0 "[ . 1 . 2]" 1 1091 1 47 ILE HB 1 48 ARG H . . 4.680 4.038 3.931 4.234 . 0 0 "[ . 1 . 2]" 1 1092 1 38 PHE HB3 1 48 ARG H . . 4.640 3.980 3.597 4.569 . 0 0 "[ . 1 . 2]" 1 1093 1 10 ALA MB 1 47 ILE H . . 4.790 3.711 3.330 4.197 . 0 0 "[ . 1 . 2]" 1 1094 1 19 LEU MD2 1 47 ILE H . . 5.400 4.825 4.510 5.094 . 0 0 "[ . 1 . 2]" 1 1095 1 47 ILE H 1 47 ILE MG . . 4.090 3.769 3.763 3.787 . 0 0 "[ . 1 . 2]" 1 1096 1 47 ILE H 1 48 ARG H . . 4.990 4.582 4.504 4.624 . 0 0 "[ . 1 . 2]" 1 1097 1 45 ASN HB3 1 46 ASP H . . 4.870 3.730 3.698 3.753 . 0 0 "[ . 1 . 2]" 1 1098 1 43 ASN H 1 44 SER H . . 4.610 2.723 1.901 3.067 . 0 0 "[ . 1 . 2]" 1 1099 1 44 SER H 1 45 ASN H . . 4.640 4.386 4.303 4.442 . 0 0 "[ . 1 . 2]" 1 1100 1 41 GLU H 1 46 ASP HB2 . . 4.590 4.074 3.681 4.591 0.001 19 0 "[ . 1 . 2]" 1 1101 1 40 TYR H 1 47 ILE MD . . 4.930 3.497 3.125 3.602 . 0 0 "[ . 1 . 2]" 1 1102 1 41 GLU H 1 47 ILE HA . . 4.560 4.152 3.783 4.458 . 0 0 "[ . 1 . 2]" 1 1103 1 46 ASP H 1 47 ILE HA . . 4.980 4.130 4.065 4.232 . 0 0 "[ . 1 . 2]" 1 1104 1 38 PHE HB2 1 39 THR H . . 4.460 4.274 4.179 4.341 . 0 0 "[ . 1 . 2]" 1 1105 1 39 THR H 1 40 TYR H . . 4.930 4.460 4.421 4.487 . 0 0 "[ . 1 . 2]" 1 1106 1 37 LEU MD1 1 38 PHE H . . 4.610 3.520 2.114 4.529 . 0 0 "[ . 1 . 2]" 1 1107 1 38 PHE H 1 38 PHE HB2 . . 3.550 2.807 2.718 2.905 . 0 0 "[ . 1 . 2]" 1 1108 1 38 PHE H 1 38 PHE HB3 . . 4.000 3.869 3.810 3.919 . 0 0 "[ . 1 . 2]" 1 1109 1 37 LEU H 1 51 GLY HA2 . . 5.500 4.818 4.719 5.003 . 0 0 "[ . 1 . 2]" 1 1110 1 37 LEU H 1 51 GLY HA3 . . 5.500 4.214 3.972 4.679 . 0 0 "[ . 1 . 2]" 1 1111 1 37 LEU H 1 38 PHE H . . 4.870 4.533 4.457 4.554 . 0 0 "[ . 1 . 2]" 1 1112 1 35 TRP HA 1 36 ALA H . . 2.850 2.576 2.542 2.609 . 0 0 "[ . 1 . 2]" 1 1113 1 36 ALA H 1 72 ALA HA . . 4.820 3.983 3.774 4.127 . 0 0 "[ . 1 . 2]" 1 1114 1 35 TRP HD1 1 36 ALA H . . 5.500 5.498 5.488 5.502 0.002 4 0 "[ . 1 . 2]" 1 1115 1 36 ALA H 1 73 PHE QD . . 5.500 5.249 5.031 5.386 . 0 0 "[ . 1 . 2]" 1 1116 1 36 ALA H 1 52 THR HA . . 5.450 4.830 4.729 4.985 . 0 0 "[ . 1 . 2]" 1 1117 1 36 ALA H 1 37 LEU HB2 . . 5.500 4.989 4.880 5.221 . 0 0 "[ . 1 . 2]" 1 1118 1 36 ALA H 1 72 ALA MB . . 5.500 4.238 3.986 4.535 . 0 0 "[ . 1 . 2]" 1 1119 1 26 VAL MG2 1 35 TRP H . . 5.500 3.659 3.428 3.785 . 0 0 "[ . 1 . 2]" 1 1120 1 26 VAL MG1 1 34 ASP H . . 5.500 4.987 4.666 5.235 . 0 0 "[ . 1 . 2]" 1 1121 1 26 VAL MG2 1 34 ASP H . . 5.500 4.429 3.919 4.906 . 0 0 "[ . 1 . 2]" 1 1122 1 27 VAL MG1 1 28 THR H . . 4.120 3.979 3.896 4.027 . 0 0 "[ . 1 . 2]" 1 1123 1 25 ARG H 1 27 VAL H . . 4.680 3.889 3.778 4.066 . 0 0 "[ . 1 . 2]" 1 1124 1 27 VAL H 1 28 THR H . . 3.340 2.279 2.181 2.531 . 0 0 "[ . 1 . 2]" 1 1125 1 26 VAL H 1 33 THR MG . . 3.320 2.714 2.490 2.882 . 0 0 "[ . 1 . 2]" 1 1126 1 25 ARG HB2 1 26 VAL H . . 3.580 2.509 2.427 2.741 . 0 0 "[ . 1 . 2]" 1 1127 1 26 VAL H 1 27 VAL H . . 3.010 2.718 2.684 2.781 . 0 0 "[ . 1 . 2]" 1 1128 1 22 ALA MB 1 25 ARG H . . 4.930 4.757 4.519 4.923 . 0 0 "[ . 1 . 2]" 1 1129 1 10 ALA MB 1 107 HIS H . . 5.480 5.064 4.599 5.480 . 0 0 "[ . 1 . 2]" 1 1130 1 25 ARG H 1 26 VAL H . . 3.250 2.582 2.510 2.621 . 0 0 "[ . 1 . 2]" 1 1131 1 22 ALA H 1 49 VAL MG2 . . 4.990 3.644 3.358 4.329 . 0 0 "[ . 1 . 2]" 1 1132 1 19 LEU HB3 1 22 ALA H . . 5.500 5.486 5.413 5.501 0.001 18 0 "[ . 1 . 2]" 1 1133 1 22 ALA H 1 36 ALA MB . . 5.500 5.303 4.865 5.500 0.000 10 0 "[ . 1 . 2]" 1 1134 1 21 GLU HB3 1 22 ALA H . . 3.100 2.341 2.287 2.492 . 0 0 "[ . 1 . 2]" 1 1135 1 22 ALA H 1 23 TYR H . . 3.220 2.669 2.616 2.807 . 0 0 "[ . 1 . 2]" 1 1136 1 21 GLU H 1 22 ALA H . . 3.100 2.820 2.650 2.927 . 0 0 "[ . 1 . 2]" 1 1137 1 20 GLN HB3 1 21 GLU H . . 2.940 2.707 2.518 2.947 0.007 12 0 "[ . 1 . 2]" 1 1138 1 17 PRO HA 1 21 GLU H . . 4.280 3.988 3.755 4.281 0.001 17 0 "[ . 1 . 2]" 1 1139 1 19 LEU H 1 21 GLU H . . 4.430 4.143 3.932 4.367 . 0 0 "[ . 1 . 2]" 1 1140 1 19 LEU MD2 1 20 GLN H . . 4.990 4.734 4.689 4.798 . 0 0 "[ . 1 . 2]" 1 1141 1 20 GLN H 1 114 PHE QE . . 4.990 3.981 3.679 4.388 . 0 0 "[ . 1 . 2]" 1 1142 1 20 GLN H 1 21 GLU H . . 3.230 2.757 2.611 2.843 . 0 0 "[ . 1 . 2]" 1 1143 1 18 ALA H 1 20 GLN H . . 4.410 4.250 4.031 4.395 . 0 0 "[ . 1 . 2]" 1 1144 1 16 GLY H 1 17 PRO HD2 . . 3.440 2.640 2.544 2.735 . 0 0 "[ . 1 . 2]" 1 1145 1 15 ASN H 1 19 LEU MD2 . . 5.500 5.388 5.140 5.505 0.005 17 0 "[ . 1 . 2]" 1 1146 1 14 ARG H 1 15 ASN H . . 3.530 2.880 2.769 2.935 . 0 0 "[ . 1 . 2]" 1 1147 1 11 ASN H 1 11 ASN HB3 . . 3.420 2.816 2.626 3.101 . 0 0 "[ . 1 . 2]" 1 1148 1 10 ALA H 1 107 HIS HA . . 4.610 2.784 1.988 3.321 . 0 0 "[ . 1 . 2]" 1 1149 1 10 ALA H 1 107 HIS HB3 . . 4.990 3.624 2.944 4.279 . 0 0 "[ . 1 . 2]" 1 1150 1 8 MET H 1 9 ALA H . . 4.650 3.782 2.265 4.624 . 0 0 "[ . 1 . 2]" 1 1151 1 89 ILE HA 1 90 ASN HD21 . . 5.500 4.093 3.070 4.740 . 0 0 "[ . 1 . 2]" 1 1152 1 90 ASN HD22 1 123 ASN HA . . 5.450 5.040 4.509 5.320 . 0 0 "[ . 1 . 2]" 1 1153 1 45 ASN HD21 1 107 HIS HE1 . . 4.680 3.842 1.952 4.538 . 0 0 "[ . 1 . 2]" 1 1154 1 45 ASN HA 1 45 ASN HD22 . . 5.130 4.730 4.148 4.906 . 0 0 "[ . 1 . 2]" 1 1155 1 80 ASN HB3 1 80 ASN HD22 . . 4.040 3.925 3.470 4.019 . 0 0 "[ . 1 . 2]" 1 1156 1 15 ASN HD22 1 48 ARG HA . . 4.290 4.196 3.595 4.290 . 8 0 "[ . 1 . 2]" 1 1157 1 35 TRP HE1 1 53 GLY HA2 . . 4.470 4.285 3.833 4.470 0.000 9 0 "[ . 1 . 2]" 1 1158 1 33 THR HB 1 34 ASP H . . 4.640 4.280 3.992 4.464 . 0 0 "[ . 1 . 2]" 1 1159 1 93 GLY H 1 96 VAL HB . . 4.990 4.804 4.529 4.969 . 0 0 "[ . 1 . 2]" 1 1160 1 65 ASN HA 1 65 ASN HD22 . . 4.930 4.004 3.483 4.346 . 0 0 "[ . 1 . 2]" 1 1161 1 128 GLU H 1 130 VAL MG2 . . 5.060 3.954 3.934 4.307 . 0 0 "[ . 1 . 2]" 1 1162 1 86 PHE H 1 120 VAL H . . 5.500 5.164 4.739 5.500 0.000 5 0 "[ . 1 . 2]" 1 1163 1 107 HIS HA 1 110 THR H . . 4.140 3.350 3.152 3.550 . 0 0 "[ . 1 . 2]" 1 1164 1 99 VAL H 1 101 LYS H . . 4.270 4.239 4.177 4.270 0.000 10 0 "[ . 1 . 2]" 1 1165 1 97 ASN H 1 97 ASN HD21 . . 4.990 4.134 3.977 4.324 . 0 0 "[ . 1 . 2]" 1 1166 1 91 TRP HD1 1 92 THR H . . 5.130 4.824 4.695 5.023 . 0 0 "[ . 1 . 2]" 1 1167 1 78 ASP H 1 79 PRO HD3 . . 5.060 4.978 4.953 5.003 . 0 0 "[ . 1 . 2]" 1 1168 1 70 MET H 1 70 MET ME . . 5.450 5.243 5.120 5.346 . 0 0 "[ . 1 . 2]" 1 1169 1 65 ASN H 1 68 LYS H . . 5.140 4.911 4.816 4.983 . 0 0 "[ . 1 . 2]" 1 1170 1 67 GLY H 1 93 GLY H . . 4.990 3.498 3.294 3.682 . 0 0 "[ . 1 . 2]" 1 1171 1 62 GLU H 1 63 GLU HB2 . . 4.820 4.640 4.449 4.814 . 0 0 "[ . 1 . 2]" 1 1172 1 60 MET H 1 62 GLU H . . 5.130 3.886 3.772 4.004 . 0 0 "[ . 1 . 2]" 1 1173 1 56 GLY H 1 59 GLU HB2 . . 5.140 4.165 3.705 4.530 . 0 0 "[ . 1 . 2]" 1 1174 1 35 TRP HD1 1 53 GLY H . . 4.990 4.308 4.168 4.886 . 0 0 "[ . 1 . 2]" 1 1175 1 35 TRP HZ2 1 53 GLY H . . 5.060 4.018 3.828 4.434 . 0 0 "[ . 1 . 2]" 1 1176 1 35 TRP HZ2 1 52 THR H . . 5.130 4.638 4.300 5.130 . 0 0 "[ . 1 . 2]" 1 1177 1 36 ALA HA 1 51 GLY H . . 5.300 4.645 4.566 4.717 . 0 0 "[ . 1 . 2]" 1 1178 1 19 LEU MD2 1 50 ALA H . . 5.240 4.951 4.619 5.221 . 0 0 "[ . 1 . 2]" 1 1179 1 38 PHE QD 1 50 ALA H . . 4.930 4.056 3.566 4.535 . 0 0 "[ . 1 . 2]" 1 1180 1 38 PHE HB3 1 50 ALA H . . 5.130 4.983 4.428 5.131 0.001 17 0 "[ . 1 . 2]" 1 1181 1 37 LEU HB2 1 50 ALA H . . 5.500 4.573 4.286 4.786 . 0 0 "[ . 1 . 2]" 1 1182 1 37 LEU HB3 1 50 ALA H . . 4.990 3.514 3.172 3.876 . 0 0 "[ . 1 . 2]" 1 1183 1 44 SER HG 1 45 ASN H . . 4.990 4.474 4.165 4.990 . 0 0 "[ . 1 . 2]" 1 1184 1 41 GLU H 1 48 ARG HB3 . . 5.300 4.981 4.571 5.301 0.001 19 0 "[ . 1 . 2]" 1 1185 1 40 TYR H 1 70 MET ME . . 5.300 5.047 4.964 5.212 . 0 0 "[ . 1 . 2]" 1 1186 1 26 VAL H 1 27 VAL HA . . 5.370 5.333 5.310 5.374 0.004 11 0 "[ . 1 . 2]" 1 1187 1 20 GLN H 1 23 TYR H . . 5.130 4.889 4.734 5.054 . 0 0 "[ . 1 . 2]" 1 1188 1 22 ALA H 1 23 TYR HB2 . . 5.450 5.224 5.134 5.371 . 0 0 "[ . 1 . 2]" 1 1189 1 16 GLY H 1 19 LEU H . . 4.990 4.825 4.665 4.917 . 0 0 "[ . 1 . 2]" 1 1190 1 13 SER HA 1 15 ASN H . . 4.990 4.604 4.333 4.741 . 0 0 "[ . 1 . 2]" 1 1191 1 140 ALA MB 1 142 GLY H . . 5.060 4.863 4.689 5.048 . 0 0 "[ . 1 . 2]" 1 1192 1 97 ASN HD21 1 99 VAL H . . 4.770 2.366 2.118 2.746 . 0 0 "[ . 1 . 2]" 1 1193 1 101 LYS H 1 102 GLY H . . 3.190 2.776 2.704 2.836 . 0 0 "[ . 1 . 2]" 1 1194 1 34 ASP H 1 56 GLY H . . 5.450 4.503 4.140 5.095 . 0 0 "[ . 1 . 2]" 1 1195 1 70 MET H 1 71 TYR H . . 4.870 4.409 4.387 4.423 . 0 0 "[ . 1 . 2]" 1 1196 1 80 ASN H 1 81 SER HA . . 5.240 5.004 4.853 5.111 . 0 0 "[ . 1 . 2]" 1 1197 1 16 GLY H 1 17 PRO HD3 . . 3.530 3.127 3.011 3.260 . 0 0 "[ . 1 . 2]" 1 1198 1 38 PHE HB3 1 71 TYR H . . 5.030 4.778 4.458 4.978 . 0 0 "[ . 1 . 2]" 1 1199 1 93 GLY HA2 1 96 VAL H . . 5.370 4.829 4.663 5.154 . 0 0 "[ . 1 . 2]" 1 1200 1 71 TYR H 1 91 TRP HD1 . . 5.500 5.362 5.192 5.500 0.000 18 0 "[ . 1 . 2]" 1 1201 1 76 VAL H 1 77 LYS H . . 4.610 4.436 4.395 4.466 . 0 0 "[ . 1 . 2]" 1 1202 1 46 ASP H 1 47 ILE MD . . 5.280 3.539 3.353 3.772 . 0 0 "[ . 1 . 2]" 1 1203 1 72 ALA HA 1 89 ILE MD . . 5.460 4.881 4.245 5.275 . 0 0 "[ . 1 . 2]" 1 1204 1 88 LEU HA 1 89 ILE MD . . 5.500 4.479 3.700 4.945 . 0 0 "[ . 1 . 2]" 1 1205 1 122 ILE H 1 122 ILE MD . . 4.360 4.078 3.681 4.275 . 0 0 "[ . 1 . 2]" 1 1206 1 89 ILE HA 1 122 ILE MD . . 4.890 4.693 4.552 4.839 . 0 0 "[ . 1 . 2]" 1 1207 1 122 ILE MD 1 135 ILE H . . 5.500 4.960 4.769 5.092 . 0 0 "[ . 1 . 2]" 1 1208 1 122 ILE MD 1 138 LYS H . . 4.890 4.003 3.878 4.144 . 0 0 "[ . 1 . 2]" 1 1209 1 122 ILE HA 1 122 ILE MD . . 3.890 3.855 3.822 3.879 . 0 0 "[ . 1 . 2]" 1 1210 1 122 ILE MD 1 138 LYS HB2 . . 3.880 2.181 1.957 2.523 . 0 0 "[ . 1 . 2]" 1 1211 1 122 ILE MD 1 138 LYS HB3 . . 3.740 2.903 2.600 3.227 . 0 0 "[ . 1 . 2]" 1 1212 1 87 VAL HB 1 89 ILE MD . . 3.780 3.633 3.291 3.781 0.001 10 0 "[ . 1 . 2]" 1 1213 1 64 LEU MD1 1 89 ILE MD . . 5.190 4.066 3.614 4.372 . 0 0 "[ . 1 . 2]" 1 1214 1 89 ILE HA 1 89 ILE MD . . 4.240 3.852 3.761 3.884 . 0 0 "[ . 1 . 2]" 1 1215 1 89 ILE MD 1 130 VAL HA . . 4.660 3.830 3.272 4.615 . 0 0 "[ . 1 . 2]" 1 1216 1 89 ILE MD 1 130 VAL HB . . 4.070 3.343 2.913 3.956 . 0 0 "[ . 1 . 2]" 1 1217 1 89 ILE HB 1 89 ILE MD . . 3.120 2.131 1.992 2.217 . 0 0 "[ . 1 . 2]" 1 1218 1 64 LEU MD2 1 89 ILE MD . . 5.190 4.791 4.441 4.935 . 0 0 "[ . 1 . 2]" 1 1219 1 23 TYR QE 1 116 LYS HB2 . . 4.490 4.194 3.946 4.430 . 0 0 "[ . 1 . 2]" 1 1220 1 23 TYR QE 1 73 PHE QD . . 5.240 4.186 3.879 4.741 . 0 0 "[ . 1 . 2]" 1 1221 1 23 TYR QE 1 73 PHE QE . . 3.940 2.934 2.338 3.649 . 0 0 "[ . 1 . 2]" 1 1222 1 23 TYR QE 1 73 PHE HZ . . 4.060 2.702 2.404 3.375 . 0 0 "[ . 1 . 2]" 1 1223 1 23 TYR QE 1 116 LYS HA . . 5.500 5.001 4.409 5.500 0.000 7 0 "[ . 1 . 2]" 1 1224 1 23 TYR QE 1 115 LEU HA . . 3.510 2.645 2.271 3.276 . 0 0 "[ . 1 . 2]" 1 1225 1 23 TYR QE 1 115 LEU HB3 . . 4.890 3.257 3.028 3.722 . 0 0 "[ . 1 . 2]" 1 1226 1 23 TYR QE 1 115 LEU MD2 . . 4.070 3.218 2.955 3.514 . 0 0 "[ . 1 . 2]" 1 1227 1 35 TRP HZ3 1 37 LEU HB3 . . 3.760 3.645 3.403 3.761 0.001 10 0 "[ . 1 . 2]" 1 1228 1 37 LEU HB3 1 51 GLY HA3 . . 5.190 4.205 3.697 4.955 . 0 0 "[ . 1 . 2]" 1 1229 1 37 LEU HB2 1 70 MET ME . . 4.890 4.040 3.779 4.262 . 0 0 "[ . 1 . 2]" 1 1230 1 71 TYR HE1 1 111 MET ME . . 4.160 3.531 3.279 3.799 . 0 0 "[ . 1 . 2]" 1 1231 1 38 PHE QD 1 111 MET ME . . 3.880 3.379 2.809 3.716 . 0 0 "[ . 1 . 2]" 1 1232 1 71 TYR HD1 1 111 MET ME . . 3.370 2.646 2.365 2.895 . 0 0 "[ . 1 . 2]" 1 1233 1 111 MET ME 1 114 PHE QE . . 4.310 3.854 3.371 4.092 . 0 0 "[ . 1 . 2]" 1 1234 1 111 MET HA 1 111 MET ME . . 3.560 3.437 3.201 3.558 . 0 0 "[ . 1 . 2]" 1 1235 1 38 PHE HB2 1 111 MET ME . . 3.410 2.543 2.257 2.772 . 0 0 "[ . 1 . 2]" 1 1236 1 71 TYR HB3 1 111 MET ME . . 3.590 2.987 2.647 3.272 . 0 0 "[ . 1 . 2]" 1 1237 1 71 TYR HB2 1 111 MET ME . . 3.430 2.507 2.160 2.713 . 0 0 "[ . 1 . 2]" 1 1238 1 111 MET ME 1 114 PHE HB3 . . 4.360 4.037 3.772 4.222 . 0 0 "[ . 1 . 2]" 1 1239 1 47 ILE MD 1 111 MET ME . . 4.080 3.642 3.373 4.079 . 0 0 "[ . 1 . 2]" 1 1240 1 111 MET ME 1 115 LEU MD2 . . 3.830 3.388 3.057 3.745 . 0 0 "[ . 1 . 2]" 1 1241 1 119 HIS HA 1 119 HIS HD2 . . 3.940 3.688 3.475 3.827 . 0 0 "[ . 1 . 2]" 1 1242 1 85 LYS HD3 1 119 HIS HD2 . . 4.890 3.044 2.637 3.570 . 0 0 "[ . 1 . 2]" 1 1243 1 85 LYS HD2 1 119 HIS HD2 . . 4.890 3.530 2.884 4.600 . 0 0 "[ . 1 . 2]" 1 1244 1 135 ILE MD 1 136 MET H . . 4.890 4.244 3.911 4.373 . 0 0 "[ . 1 . 2]" 1 1245 1 132 PRO HA 1 135 ILE MD . . 3.410 2.882 2.515 3.020 . 0 0 "[ . 1 . 2]" 1 1246 1 134 CYS HB2 1 135 ILE MD . . 5.490 4.709 4.135 5.138 . 0 0 "[ . 1 . 2]" 1 1247 1 134 CYS HB3 1 135 ILE MD . . 5.500 4.323 3.751 4.678 . 0 0 "[ . 1 . 2]" 1 1248 1 130 VAL HB 1 135 ILE MD . . 3.390 2.946 2.292 3.305 . 0 0 "[ . 1 . 2]" 1 1249 1 132 PRO HB3 1 135 ILE MD . . 5.050 4.897 4.574 5.011 . 0 0 "[ . 1 . 2]" 1 1250 1 132 PRO HB2 1 135 ILE MD . . 5.500 5.397 5.022 5.501 0.001 19 0 "[ . 1 . 2]" 1 1251 1 135 ILE HB 1 135 ILE MD . . 3.190 2.289 2.094 2.366 . 0 0 "[ . 1 . 2]" 1 1252 1 57 LEU HB3 1 135 ILE MD . . 4.000 2.875 2.682 3.170 . 0 0 "[ . 1 . 2]" 1 1253 1 106 SER H 1 107 HIS HD2 . . 4.760 4.200 3.685 4.736 . 0 0 "[ . 1 . 2]" 1 1254 1 107 HIS HA 1 107 HIS HD2 . . 3.660 2.884 2.589 3.218 . 0 0 "[ . 1 . 2]" 1 1255 1 10 ALA HA 1 107 HIS HD2 . . 5.500 5.285 4.959 5.474 . 0 0 "[ . 1 . 2]" 1 1256 1 66 SER HA 1 93 GLY HA2 . . 4.070 2.925 2.738 3.058 . 0 0 "[ . 1 . 2]" 1 1257 1 93 GLY HA2 1 94 GLU HA . . 4.660 4.328 4.311 4.351 . 0 0 "[ . 1 . 2]" 1 1258 1 73 PHE QD 1 88 LEU HB3 . . 5.240 5.013 4.562 5.240 0.000 11 0 "[ . 1 . 2]" 1 1259 1 88 LEU HB2 1 89 ILE H . . 4.890 4.407 4.198 4.477 . 0 0 "[ . 1 . 2]" 1 1260 1 73 PHE QD 1 88 LEU HB2 . . 4.490 3.663 3.066 3.964 . 0 0 "[ . 1 . 2]" 1 1261 1 33 THR MG 1 53 GLY HA3 . . 5.500 5.350 5.118 5.502 0.002 20 0 "[ . 1 . 2]" 1 1262 1 37 LEU HB2 1 51 GLY HA3 . . 4.660 3.805 3.390 4.508 . 0 0 "[ . 1 . 2]" 1 1263 1 55 GLY HA2 1 59 GLU HB3 . . 4.660 4.516 4.181 4.661 0.001 15 0 "[ . 1 . 2]" 1 1264 1 55 GLY HA2 1 59 GLU HB2 . . 4.660 3.857 3.488 4.206 . 0 0 "[ . 1 . 2]" 1 1265 1 51 GLY HA2 1 52 THR MG . . 4.830 3.681 3.309 3.917 . 0 0 "[ . 1 . 2]" 1 1266 1 35 TRP HZ3 1 51 GLY HA3 . . 4.240 2.966 2.541 3.726 . 0 0 "[ . 1 . 2]" 1 1267 1 56 GLY HA3 1 57 LEU HG . . 5.230 4.302 4.126 4.612 . 0 0 "[ . 1 . 2]" 1 1268 1 56 GLY HA2 1 57 LEU H . . 3.560 2.909 2.690 3.034 . 0 0 "[ . 1 . 2]" 1 1269 1 35 TRP HD1 1 56 GLY HA2 . . 4.490 3.316 3.105 3.440 . 0 0 "[ . 1 . 2]" 1 1270 1 66 SER HA 1 91 TRP HZ2 . . 3.530 2.045 2.000 2.323 . 0 0 "[ . 1 . 2]" 1 1271 1 91 TRP HZ2 1 93 GLY HA3 . . 4.950 4.283 3.564 4.656 . 0 0 "[ . 1 . 2]" 1 1272 1 64 LEU HB2 1 91 TRP HZ2 . . 5.230 4.571 4.251 4.905 . 0 0 "[ . 1 . 2]" 1 1273 1 64 LEU HB3 1 91 TRP HZ2 . . 4.890 3.390 3.103 3.507 . 0 0 "[ . 1 . 2]" 1 1274 1 66 SER HB2 1 91 TRP HZ2 . . 4.890 4.080 3.933 4.477 . 0 0 "[ . 1 . 2]" 1 1275 1 91 TRP HZ2 1 93 GLY HA2 . . 4.360 3.748 3.375 3.916 . 0 0 "[ . 1 . 2]" 1 1276 1 116 LYS HB3 1 117 GLY HA3 . . 5.010 4.039 3.986 4.104 . 0 0 "[ . 1 . 2]" 1 1277 1 38 PHE QE 1 73 PHE HB3 . . 4.360 2.967 2.721 3.179 . 0 0 "[ . 1 . 2]" 1 1278 1 38 PHE QE 1 73 PHE HB2 . . 4.490 2.967 2.503 3.403 . 0 0 "[ . 1 . 2]" 1 1279 1 73 PHE HB2 1 74 CYS H . . 4.890 4.567 4.520 4.599 . 0 0 "[ . 1 . 2]" 1 1280 1 25 ARG HD3 1 52 THR MG . . 4.900 4.303 3.861 4.899 . 0 0 "[ . 1 . 2]" 1 1281 1 35 TRP HZ2 1 53 GLY HA3 . . 4.000 2.907 2.314 3.205 . 0 0 "[ . 1 . 2]" 1 1282 1 35 TRP HZ2 1 59 GLU HG2 . . 4.070 2.872 2.026 3.701 . 0 0 "[ . 1 . 2]" 1 1283 1 35 TRP HZ2 1 59 GLU HG3 . . 4.070 3.285 2.400 3.799 . 0 0 "[ . 1 . 2]" 1 1284 1 35 TRP HZ2 1 63 GLU HG3 . . 3.910 3.711 3.408 3.897 . 0 0 "[ . 1 . 2]" 1 1285 1 35 TRP HZ2 1 60 MET HA . . 4.950 4.464 3.961 4.785 . 0 0 "[ . 1 . 2]" 1 1286 1 22 ALA HA 1 25 ARG HD3 . . 4.120 3.606 3.310 4.121 0.001 17 0 "[ . 1 . 2]" 1 1287 1 25 ARG HD3 1 33 THR MG . . 4.250 3.597 3.246 3.870 . 0 0 "[ . 1 . 2]" 1 1288 1 25 ARG H 1 25 ARG HD3 . . 5.190 4.514 4.276 4.959 . 0 0 "[ . 1 . 2]" 1 1289 1 21 GLU HG2 1 25 ARG HD3 . . 4.660 4.218 3.666 4.589 . 0 0 "[ . 1 . 2]" 1 1290 1 25 ARG HB2 1 25 ARG HD3 . . 3.480 2.661 2.472 3.012 . 0 0 "[ . 1 . 2]" 1 1291 1 25 ARG HB3 1 25 ARG HD3 . . 3.520 2.630 2.317 2.839 . 0 0 "[ . 1 . 2]" 1 1292 1 22 ALA HA 1 25 ARG HD2 . . 3.880 2.301 1.999 3.409 . 0 0 "[ . 1 . 2]" 1 1293 1 25 ARG HD2 1 33 THR HB . . 5.500 5.502 5.501 5.505 0.005 14 0 "[ . 1 . 2]" 1 1294 1 25 ARG HB2 1 25 ARG HD2 . . 3.480 2.524 2.255 2.806 . 0 0 "[ . 1 . 2]" 1 1295 1 25 ARG HB3 1 25 ARG HD2 . . 3.560 3.401 3.087 3.556 . 0 0 "[ . 1 . 2]" 1 1296 1 25 ARG HD2 1 33 THR MG . . 5.330 4.079 3.944 4.373 . 0 0 "[ . 1 . 2]" 1 1297 1 35 TRP HZ2 1 59 GLU HB2 . . 5.500 5.014 4.525 5.499 . 0 0 "[ . 1 . 2]" 1 1298 1 35 TRP HZ2 1 63 GLU HG2 . . 5.500 4.665 4.078 5.254 . 0 0 "[ . 1 . 2]" 1 1299 1 35 TRP HZ2 1 53 GLY HA2 . . 4.770 4.456 3.727 4.771 0.001 8 0 "[ . 1 . 2]" 1 1300 1 14 ARG HD3 1 15 ASN HD22 . . 5.500 4.697 3.726 5.500 . 0 0 "[ . 1 . 2]" 1 1301 1 92 THR HB 1 125 ARG HD2 . . 5.500 4.587 3.859 4.985 . 0 0 "[ . 1 . 2]" 1 1302 1 92 THR HB 1 125 ARG HD3 . . 5.500 4.506 3.683 5.500 . 0 0 "[ . 1 . 2]" 1 1303 1 14 ARG HB2 1 14 ARG HD3 . . 4.200 2.947 2.419 3.477 . 0 0 "[ . 1 . 2]" 1 1304 1 14 ARG HB3 1 14 ARG HD3 . . 4.200 2.270 2.045 2.753 . 0 0 "[ . 1 . 2]" 1 1305 1 14 ARG HD2 1 15 ASN HD22 . . 5.500 4.649 3.920 5.499 . 0 0 "[ . 1 . 2]" 1 1306 1 29 GLU HA 1 75 ARG HD2 . . 4.900 4.882 4.824 4.900 0.000 8 0 "[ . 1 . 2]" 1 1307 1 124 ALA MB 1 129 ASP HB2 . . 3.330 2.273 2.139 2.336 . 0 0 "[ . 1 . 2]" 1 1308 1 41 GLU HA 1 48 ARG HD2 . . 4.210 3.511 2.188 4.210 . 20 0 "[ . 1 . 2]" 1 1309 1 41 GLU HA 1 48 ARG HD3 . . 4.210 2.978 2.187 4.199 . 0 0 "[ . 1 . 2]" 1 1310 1 48 ARG HB2 1 48 ARG HD3 . . 4.020 3.241 2.407 4.020 0.000 19 0 "[ . 1 . 2]" 1 1311 1 126 ALA H 1 129 ASP HB3 . . 4.160 4.097 4.001 4.160 . 0 0 "[ . 1 . 2]" 1 1312 1 122 ILE MG 1 129 ASP HB3 . . 4.490 4.339 4.049 4.423 . 0 0 "[ . 1 . 2]" 1 1313 1 75 ARG HD3 1 86 PHE QE . . 4.000 3.431 3.279 3.707 . 0 0 "[ . 1 . 2]" 1 1314 1 75 ARG HD2 1 86 PHE QE . . 4.000 3.097 2.048 3.766 . 0 0 "[ . 1 . 2]" 1 1315 1 48 ARG HB2 1 48 ARG HD2 . . 4.020 2.669 1.998 3.608 . 0 0 "[ . 1 . 2]" 1 1316 1 91 TRP HZ3 1 129 ASP HB2 . . 4.890 4.806 4.606 4.891 0.001 6 0 "[ . 1 . 2]" 1 1317 1 57 LEU HB2 1 132 PRO HA . . 4.910 2.954 2.552 3.332 . 0 0 "[ . 1 . 2]" 1 1318 1 57 LEU H 1 57 LEU HB2 . . 3.780 2.547 2.416 2.728 . 0 0 "[ . 1 . 2]" 1 1319 1 57 LEU HB2 1 132 PRO HB3 . . 4.000 3.078 2.829 3.392 . 0 0 "[ . 1 . 2]" 1 1320 1 57 LEU HB2 1 132 PRO HG3 . . 4.180 2.477 2.272 3.044 . 0 0 "[ . 1 . 2]" 1 1321 1 57 LEU HB3 1 132 PRO HB3 . . 4.330 4.240 3.942 4.330 . 13 0 "[ . 1 . 2]" 1 1322 1 39 THR H 1 47 ILE MD . . 4.890 4.759 4.520 4.890 0.000 18 0 "[ . 1 . 2]" 1 1323 1 47 ILE MD 1 71 TYR HE1 . . 4.830 2.712 2.106 3.348 . 0 0 "[ . 1 . 2]" 1 1324 1 40 TYR QD 1 47 ILE MD . . 4.000 2.761 2.581 2.977 . 0 0 "[ . 1 . 2]" 1 1325 1 40 TYR QE 1 47 ILE MD . . 3.530 2.629 2.417 2.762 . 0 0 "[ . 1 . 2]" 1 1326 1 39 THR HG1 1 47 ILE MD . . 4.670 4.656 4.578 4.673 0.003 10 0 "[ . 1 . 2]" 1 1327 1 40 TYR HA 1 47 ILE MD . . 4.150 2.729 1.994 2.983 . 0 0 "[ . 1 . 2]" 1 1328 1 47 ILE HA 1 47 ILE MD . . 3.260 2.090 2.006 2.135 . 0 0 "[ . 1 . 2]" 1 1329 1 38 PHE HB3 1 47 ILE MD . . 4.490 4.325 4.145 4.490 0.000 13 0 "[ . 1 . 2]" 1 1330 1 47 ILE MD 1 47 ILE MG . . 2.950 2.041 1.935 2.101 . 0 0 "[ . 1 . 2]" 1 1331 1 10 ALA HA 1 47 ILE MD . . 4.890 4.343 3.867 4.639 . 0 0 "[ . 1 . 2]" 1 1332 1 100 ARG HB2 1 100 ARG HD3 . . 4.150 2.167 2.000 2.458 . 0 0 "[ . 1 . 2]" 1 1333 1 100 ARG HB2 1 100 ARG HD2 . . 4.150 3.154 2.712 3.673 . 0 0 "[ . 1 . 2]" 1 1334 1 100 ARG HA 1 100 ARG HD2 . . 3.700 2.964 2.311 3.513 . 0 0 "[ . 1 . 2]" 1 1335 1 122 ILE HG12 1 138 LYS HE2 . . 5.500 4.443 3.991 5.283 . 0 0 "[ . 1 . 2]" 1 1336 1 122 ILE HG12 1 138 LYS HE3 . . 5.500 3.543 2.425 5.461 . 0 0 "[ . 1 . 2]" 1 1337 1 122 ILE MD 1 138 LYS HE2 . . 5.010 3.897 3.344 4.700 . 0 0 "[ . 1 . 2]" 1 1338 1 122 ILE MD 1 138 LYS HE3 . . 5.010 2.785 1.983 4.579 . 0 0 "[ . 1 . 2]" 1 1339 1 138 LYS HA 1 138 LYS HE2 . . 5.500 4.917 2.828 5.499 . 0 0 "[ . 1 . 2]" 1 1340 1 138 LYS HA 1 138 LYS HE3 . . 5.500 5.185 3.886 5.499 . 0 0 "[ . 1 . 2]" 1 1341 1 85 LYS HA 1 85 LYS HE2 . . 5.500 4.876 4.489 5.107 . 0 0 "[ . 1 . 2]" 1 1342 1 85 LYS HA 1 85 LYS HE3 . . 5.500 5.469 5.332 5.497 . 0 0 "[ . 1 . 2]" 1 1343 1 78 ASP HA 1 85 LYS HE2 . . 5.500 5.025 4.560 5.491 . 0 0 "[ . 1 . 2]" 1 1344 1 78 ASP HA 1 85 LYS HE3 . . 5.500 5.037 4.739 5.445 . 0 0 "[ . 1 . 2]" 1 1345 1 113 SER HA 1 116 LYS HE2 . . 5.240 4.247 3.361 5.042 . 0 0 "[ . 1 . 2]" 1 1346 1 113 SER HA 1 116 LYS HE3 . . 5.240 3.807 2.584 4.699 . 0 0 "[ . 1 . 2]" 1 1347 1 94 GLU HA 1 101 LYS HE3 . . 4.890 4.646 4.196 4.877 . 0 0 "[ . 1 . 2]" 1 1348 1 121 THR HA 1 122 ILE HB . . 4.890 4.611 4.528 4.735 . 0 0 "[ . 1 . 2]" 1 1349 1 38 PHE HB2 1 47 ILE MG . . 4.070 3.056 2.730 3.467 . 0 0 "[ . 1 . 2]" 1 1350 1 94 GLU HA 1 101 LYS HE2 . . 4.890 3.558 3.047 4.723 . 0 0 "[ . 1 . 2]" 1 1351 1 101 LYS HB2 1 101 LYS HE3 . . 5.310 3.592 3.106 4.329 . 0 0 "[ . 1 . 2]" 1 1352 1 101 LYS HB3 1 101 LYS HE3 . . 5.500 4.302 3.971 4.710 . 0 0 "[ . 1 . 2]" 1 1353 1 92 THR MG 1 101 LYS HE3 . . 4.630 4.300 3.444 4.630 . 0 0 "[ . 1 . 2]" 1 1354 1 89 ILE HA 1 122 ILE HB . . 3.780 3.103 2.962 3.310 . 0 0 "[ . 1 . 2]" 1 1355 1 86 PHE H 1 86 PHE HB3 . . 4.150 3.713 3.641 3.827 . 0 0 "[ . 1 . 2]" 1 1356 1 86 PHE HB3 1 119 HIS H . . 4.240 4.229 4.145 4.242 0.002 13 0 "[ . 1 . 2]" 1 1357 1 73 PHE QE 1 86 PHE HB3 . . 4.890 2.464 2.220 2.658 . 0 0 "[ . 1 . 2]" 1 1358 1 86 PHE HB2 1 87 VAL H . . 4.360 4.079 3.890 4.229 . 0 0 "[ . 1 . 2]" 1 1359 1 73 PHE QE 1 86 PHE HB2 . . 4.490 3.566 3.314 3.733 . 0 0 "[ . 1 . 2]" 1 1360 1 73 PHE HZ 1 86 PHE HB2 . . 4.490 3.461 3.246 3.565 . 0 0 "[ . 1 . 2]" 1 1361 1 71 TYR HB3 1 71 TYR HE2 . . 4.890 4.649 4.633 4.666 . 0 0 "[ . 1 . 2]" 1 1362 1 12 LEU HB2 1 19 LEU MD1 . . 4.490 3.699 3.346 3.916 . 0 0 "[ . 1 . 2]" 1 1363 1 12 LEU HB3 1 19 LEU MD1 . . 4.490 2.402 1.938 2.778 . 0 0 "[ . 1 . 2]" 1 1364 1 19 LEU HB2 1 114 PHE HZ . . 4.660 3.199 2.865 3.785 . 0 0 "[ . 1 . 2]" 1 1365 1 71 TYR HA 1 89 ILE HB . . 5.440 4.856 4.625 4.949 . 0 0 "[ . 1 . 2]" 1 1366 1 72 ALA HA 1 89 ILE HB . . 5.500 4.801 4.585 4.993 . 0 0 "[ . 1 . 2]" 1 1367 1 16 GLY HA2 1 19 LEU HB2 . . 4.360 3.354 3.078 3.514 . 0 0 "[ . 1 . 2]" 1 1368 1 19 LEU HB3 1 114 PHE HZ . . 4.360 2.723 2.446 2.971 . 0 0 "[ . 1 . 2]" 1 1369 1 19 LEU HB3 1 38 PHE QD . . 5.230 3.924 3.765 4.126 . 0 0 "[ . 1 . 2]" 1 1370 1 19 LEU HB3 1 38 PHE QE . . 5.450 3.651 3.407 3.993 . 0 0 "[ . 1 . 2]" 1 1371 1 98 ASP HB2 1 99 VAL MG2 . . 4.890 3.662 3.236 4.573 . 0 0 "[ . 1 . 2]" 1 1372 1 98 ASP HB3 1 99 VAL MG2 . . 4.890 4.169 3.379 4.848 . 0 0 "[ . 1 . 2]" 1 1373 1 41 GLU H 1 46 ASP HB3 . . 4.590 3.701 2.964 4.294 . 0 0 "[ . 1 . 2]" 1 1374 1 114 PHE HB2 1 115 LEU H . . 4.000 3.825 3.732 3.945 . 0 0 "[ . 1 . 2]" 1 1375 1 114 PHE HB2 1 115 LEU HG . . 4.950 4.682 4.535 4.819 . 0 0 "[ . 1 . 2]" 1 1376 1 12 LEU MD1 1 114 PHE HB3 . . 4.360 4.161 3.823 4.361 0.001 10 0 "[ . 1 . 2]" 1 1377 1 114 PHE HB3 1 115 LEU HG . . 4.490 3.030 2.901 3.110 . 0 0 "[ . 1 . 2]" 1 1378 1 11 ASN HB2 1 46 ASP HA . . 3.940 3.352 3.154 3.737 . 0 0 "[ . 1 . 2]" 1 1379 1 11 ASN HB3 1 46 ASP HA . . 3.940 2.538 2.122 2.892 . 0 0 "[ . 1 . 2]" 1 1380 1 70 MET HB3 1 91 TRP HB3 . . 4.490 4.057 3.964 4.199 . 0 0 "[ . 1 . 2]" 1 1381 1 37 LEU MD2 1 70 MET HB3 . . 4.360 3.555 2.299 4.361 0.001 15 0 "[ . 1 . 2]" 1 1382 1 23 TYR HB2 1 114 PHE HZ . . 4.660 3.310 3.239 3.393 . 0 0 "[ . 1 . 2]" 1 1383 1 20 GLN HA 1 23 TYR HB2 . . 4.360 3.662 3.431 4.008 . 0 0 "[ . 1 . 2]" 1 1384 1 97 ASN HB2 1 100 ARG HB2 . . 5.240 4.909 4.790 5.064 . 0 0 "[ . 1 . 2]" 1 1385 1 70 MET HB3 1 91 TRP HB2 . . 5.500 5.146 4.915 5.369 . 0 0 "[ . 1 . 2]" 1 1386 1 70 MET HB2 1 70 MET ME . . 4.660 3.196 2.957 3.381 . 0 0 "[ . 1 . 2]" 1 1387 1 70 MET HB2 1 91 TRP HB3 . . 4.070 2.566 2.484 2.678 . 0 0 "[ . 1 . 2]" 1 1388 1 23 TYR HB3 1 115 LEU MD2 . . 4.660 3.800 3.415 3.999 . 0 0 "[ . 1 . 2]" 1 1389 1 97 ASN HB2 1 98 ASP H . . 4.110 2.347 2.038 2.961 . 0 0 "[ . 1 . 2]" 1 1390 1 15 ASN HB2 1 19 LEU HG . . 4.300 2.368 2.182 2.561 . 0 0 "[ . 1 . 2]" 1 1391 1 15 ASN HB2 1 19 LEU MD2 . . 4.660 3.463 3.148 3.612 . 0 0 "[ . 1 . 2]" 1 1392 1 15 ASN HB3 1 19 LEU MD2 . . 4.660 4.310 3.378 4.667 0.007 10 0 "[ . 1 . 2]" 1 1393 1 15 ASN HB3 1 19 LEU HG . . 4.300 3.232 2.631 4.158 . 0 0 "[ . 1 . 2]" 1 1394 1 90 ASN HB2 1 121 THR MG . . 5.150 4.317 3.858 4.692 . 0 0 "[ . 1 . 2]" 1 1395 1 90 ASN HB3 1 123 ASN HA . . 4.070 3.704 3.204 4.070 . 0 0 "[ . 1 . 2]" 1 1396 1 73 PHE QD 1 115 LEU HB2 . . 4.660 4.498 4.194 4.661 0.001 17 0 "[ . 1 . 2]" 1 1397 1 36 ALA MB 1 52 THR HB . . 4.490 3.893 3.319 4.294 . 0 0 "[ . 1 . 2]" 1 1398 1 33 THR MG 1 52 THR HB . . 3.160 2.977 2.281 3.161 0.001 17 0 "[ . 1 . 2]" 1 1399 1 35 TRP HE1 1 59 GLU HG3 . . 4.490 3.989 3.445 4.466 . 0 0 "[ . 1 . 2]" 1 1400 1 59 GLU H 1 59 GLU HG3 . . 5.380 4.492 4.438 4.570 . 0 0 "[ . 1 . 2]" 1 1401 1 58 GLU HG2 1 59 GLU H . . 5.310 4.943 4.593 5.306 . 0 0 "[ . 1 . 2]" 1 1402 1 132 PRO HA 1 135 ILE HB . . 3.780 3.401 3.305 3.643 . 0 0 "[ . 1 . 2]" 1 1403 1 58 GLU HG3 1 132 PRO HG3 . . 4.890 3.358 2.467 4.430 . 0 0 "[ . 1 . 2]" 1 1404 1 58 GLU H 1 58 GLU HG3 . . 4.070 2.733 2.073 3.408 . 0 0 "[ . 1 . 2]" 1 1405 1 58 GLU HA 1 58 GLU HG3 . . 3.660 3.205 2.501 3.647 . 0 0 "[ . 1 . 2]" 1 1406 1 58 GLU HG2 1 132 PRO HG3 . . 4.890 3.095 2.161 4.432 . 0 0 "[ . 1 . 2]" 1 1407 1 68 LYS HB2 1 70 MET HG3 . . 4.490 3.357 3.223 3.495 . 0 0 "[ . 1 . 2]" 1 1408 1 127 GLU HA 1 127 GLU HG2 . . 3.760 2.625 2.145 3.223 . 0 0 "[ . 1 . 2]" 1 1409 1 127 GLU HA 1 127 GLU HG3 . . 3.760 2.531 2.110 3.153 . 0 0 "[ . 1 . 2]" 1 1410 1 127 GLU HG2 1 130 VAL MG2 . . 4.830 3.314 2.905 3.923 . 0 0 "[ . 1 . 2]" 1 1411 1 127 GLU HG3 1 130 VAL MG2 . . 4.830 3.645 3.136 4.329 . 0 0 "[ . 1 . 2]" 1 1412 1 127 GLU HG2 1 128 GLU H . . 5.500 5.244 5.035 5.435 . 0 0 "[ . 1 . 2]" 1 1413 1 127 GLU HG3 1 128 GLU H . . 5.500 4.947 4.775 5.119 . 0 0 "[ . 1 . 2]" 1 1414 1 29 GLU H 1 29 GLU HG3 . . 4.490 3.350 2.303 4.395 . 0 0 "[ . 1 . 2]" 1 1415 1 133 GLU HA 1 133 GLU HG3 . . 4.040 3.813 3.557 3.966 . 0 0 "[ . 1 . 2]" 1 1416 1 29 GLU H 1 29 GLU HG2 . . 4.490 2.695 2.022 4.299 . 0 0 "[ . 1 . 2]" 1 1417 1 94 GLU H 1 94 GLU HG3 . . 4.000 3.187 2.121 3.826 . 0 0 "[ . 1 . 2]" 1 1418 1 133 GLU H 1 133 GLU HG2 . . 4.140 2.093 1.950 2.695 . 0 0 "[ . 1 . 2]" 1 1419 1 94 GLU H 1 94 GLU HG2 . . 4.000 2.466 2.078 3.200 . 0 0 "[ . 1 . 2]" 1 1420 1 131 GLU H 1 131 GLU HG2 . . 4.680 4.581 4.565 4.607 . 0 0 "[ . 1 . 2]" 1 1421 1 133 GLU HG2 1 134 CYS H . . 4.490 2.567 1.976 4.449 . 0 0 "[ . 1 . 2]" 1 1422 1 21 GLU HG2 1 25 ARG HG2 . . 4.950 4.794 4.134 4.951 0.001 2 0 "[ . 1 . 2]" 1 1423 1 120 VAL HB 1 121 THR H . . 4.660 4.022 3.743 4.280 . 0 0 "[ . 1 . 2]" 1 1424 1 131 GLU HG3 1 134 CYS H . . 5.330 5.299 5.238 5.330 0.000 17 0 "[ . 1 . 2]" 1 1425 1 131 GLU HA 1 131 GLU HG3 . . 4.000 2.047 2.042 2.058 . 0 0 "[ . 1 . 2]" 1 1426 1 131 GLU HG3 1 132 PRO HD2 . . 4.660 2.361 2.299 2.755 . 0 0 "[ . 1 . 2]" 1 1427 1 131 GLU HG2 1 134 CYS H . . 5.330 4.838 4.761 4.900 . 0 0 "[ . 1 . 2]" 1 1428 1 21 GLU HG3 1 25 ARG HD3 . . 5.240 4.538 3.985 4.961 . 0 0 "[ . 1 . 2]" 1 1429 1 131 GLU HA 1 131 GLU HG2 . . 4.000 3.357 3.106 3.391 . 0 0 "[ . 1 . 2]" 1 1430 1 131 GLU HG2 1 132 PRO HD2 . . 4.660 2.412 2.032 2.474 . 0 0 "[ . 1 . 2]" 1 1431 1 21 GLU H 1 21 GLU HG2 . . 4.630 4.546 4.399 4.611 . 0 0 "[ . 1 . 2]" 1 1432 1 21 GLU HA 1 21 GLU HG2 . . 3.900 3.532 3.191 3.673 . 0 0 "[ . 1 . 2]" 1 1433 1 21 GLU HG2 1 22 ALA HA . . 4.330 3.971 3.427 4.221 . 0 0 "[ . 1 . 2]" 1 1434 1 21 GLU HG2 1 25 ARG HD2 . . 4.660 2.967 2.194 3.503 . 0 0 "[ . 1 . 2]" 1 1435 1 21 GLU H 1 21 GLU HG3 . . 4.510 4.411 4.378 4.498 . 0 0 "[ . 1 . 2]" 1 1436 1 21 GLU HA 1 21 GLU HG3 . . 3.590 2.439 2.360 2.621 . 0 0 "[ . 1 . 2]" 1 1437 1 34 ASP H 1 54 GLU HG3 . . 4.890 3.672 2.932 4.335 . 0 0 "[ . 1 . 2]" 1 1438 1 54 GLU H 1 54 GLU HG3 . . 4.240 3.955 3.241 4.241 0.001 5 0 "[ . 1 . 2]" 1 1439 1 54 GLU HA 1 54 GLU HG3 . . 4.070 3.042 2.631 3.246 . 0 0 "[ . 1 . 2]" 1 1440 1 33 THR HA 1 54 GLU HG3 . . 3.740 3.054 1.998 3.695 . 0 0 "[ . 1 . 2]" 1 1441 1 54 GLU H 1 54 GLU HG2 . . 4.240 4.238 4.209 4.245 0.005 13 0 "[ . 1 . 2]" 1 1442 1 62 GLU H 1 62 GLU HG3 . . 3.590 3.521 3.278 3.590 0.000 7 0 "[ . 1 . 2]" 1 1443 1 128 GLU HA 1 128 GLU HG3 . . 4.230 3.791 3.569 4.049 . 0 0 "[ . 1 . 2]" 1 1444 1 126 ALA MB 1 128 GLU HG2 . . 3.980 2.558 1.962 3.980 0.000 3 0 "[ . 1 . 2]" 1 1445 1 62 GLU H 1 62 GLU HG2 . . 3.590 3.289 2.838 3.590 . 0 0 "[ . 1 . 2]" 1 1446 1 54 GLU HA 1 54 GLU HG2 . . 4.070 2.519 2.020 3.695 . 0 0 "[ . 1 . 2]" 1 1447 1 120 VAL HA 1 121 THR HB . . 4.900 4.748 4.606 4.887 . 0 0 "[ . 1 . 2]" 1 1448 1 46 ASP HA 1 47 ILE HB . . 4.890 4.692 4.651 4.731 . 0 0 "[ . 1 . 2]" 1 1449 1 19 LEU MD1 1 47 ILE HB . . 3.880 2.970 2.409 3.317 . 0 0 "[ . 1 . 2]" 1 1450 1 41 GLU H 1 41 GLU HG2 . . 4.490 4.151 3.596 4.483 . 0 0 "[ . 1 . 2]" 1 1451 1 35 TRP HZ3 1 63 GLU HG3 . . 4.890 3.212 2.924 3.781 . 0 0 "[ . 1 . 2]" 1 1452 1 41 GLU H 1 41 GLU HG3 . . 4.490 4.061 3.567 4.478 . 0 0 "[ . 1 . 2]" 1 1453 1 15 ASN HD22 1 41 GLU HG3 . . 5.230 3.482 2.739 4.888 . 0 0 "[ . 1 . 2]" 1 1454 1 41 GLU HG3 1 48 ARG HB3 . . 4.890 3.611 2.750 4.891 0.001 7 0 "[ . 1 . 2]" 1 1455 1 35 TRP HH2 1 63 GLU HG2 . . 4.490 3.666 3.263 4.088 . 0 0 "[ . 1 . 2]" 1 1456 1 86 PHE HA 1 87 VAL HB . . 4.890 4.662 4.542 4.722 . 0 0 "[ . 1 . 2]" 1 1457 1 60 MET ME 1 87 VAL HB . . 5.400 5.008 4.703 5.303 . 0 0 "[ . 1 . 2]" 1 1458 1 87 VAL HB 1 89 ILE HG13 . . 5.500 4.280 3.924 4.761 . 0 0 "[ . 1 . 2]" 1 1459 1 28 THR HB 1 29 GLU H . . 4.660 4.358 4.256 4.421 . 0 0 "[ . 1 . 2]" 1 1460 1 25 ARG HD3 1 33 THR HB . . 4.770 4.514 3.999 4.771 0.001 13 0 "[ . 1 . 2]" 1 1461 1 25 ARG HB2 1 33 THR HB . . 4.070 3.509 3.172 4.071 0.001 11 0 "[ . 1 . 2]" 1 1462 1 25 ARG HB3 1 33 THR HB . . 3.350 2.483 2.304 2.632 . 0 0 "[ . 1 . 2]" 1 1463 1 28 THR HB 1 31 SER H . . 4.890 3.513 3.388 3.649 . 0 0 "[ . 1 . 2]" 1 1464 1 92 THR HB 1 125 ARG HG2 . . 3.880 2.482 1.999 3.589 . 0 0 "[ . 1 . 2]" 1 1465 1 92 THR HB 1 125 ARG HA . . 4.240 2.818 2.478 3.132 . 0 0 "[ . 1 . 2]" 1 1466 1 69 VAL MG1 1 92 THR HB . . 5.500 5.184 4.969 5.497 . 0 0 "[ . 1 . 2]" 1 1467 1 69 VAL MG2 1 92 THR HB . . 5.500 4.925 4.750 5.111 . 0 0 "[ . 1 . 2]" 1 1468 1 39 THR HB 1 70 MET HG2 . . 3.780 2.188 2.003 2.419 . 0 0 "[ . 1 . 2]" 1 1469 1 91 TRP HA 1 92 THR HB . . 4.890 4.779 4.639 4.886 . 0 0 "[ . 1 . 2]" 1 1470 1 86 PHE H 1 119 HIS HE1 . . 4.070 3.514 3.155 3.889 . 0 0 "[ . 1 . 2]" 1 1471 1 86 PHE QE 1 119 HIS HE1 . . 4.360 4.194 3.597 4.360 . 0 0 "[ . 1 . 2]" 1 1472 1 85 LYS HA 1 119 HIS HE1 . . 3.820 3.477 3.183 3.816 . 0 0 "[ . 1 . 2]" 1 1473 1 119 HIS HB2 1 119 HIS HE1 . . 4.890 4.829 4.787 4.859 . 0 0 "[ . 1 . 2]" 1 1474 1 15 ASN HD22 1 48 ARG HB2 . . 4.890 3.800 3.436 4.141 . 0 0 "[ . 1 . 2]" 1 1475 1 48 ARG HB3 1 49 VAL H . . 4.150 3.826 3.593 4.054 . 0 0 "[ . 1 . 2]" 1 1476 1 15 ASN HD22 1 48 ARG HB3 . . 4.660 2.518 2.450 2.629 . 0 0 "[ . 1 . 2]" 1 1477 1 41 GLU HG2 1 48 ARG HB3 . . 4.890 4.176 2.983 4.883 . 0 0 "[ . 1 . 2]" 1 1478 1 39 THR HB 1 70 MET HG3 . . 4.360 3.929 3.736 4.152 . 0 0 "[ . 1 . 2]" 1 1479 1 68 LYS HB3 1 70 MET HG3 . . 4.490 4.005 3.745 4.137 . 0 0 "[ . 1 . 2]" 1 1480 1 70 MET HG2 1 91 TRP HD1 . . 4.150 3.943 3.841 4.066 . 0 0 "[ . 1 . 2]" 1 1481 1 107 HIS HB3 1 110 THR HB . . 4.890 4.228 3.840 4.807 . 0 0 "[ . 1 . 2]" 1 1482 1 116 LYS HB3 1 116 LYS HE2 . . 5.130 4.564 4.521 4.600 . 0 0 "[ . 1 . 2]" 1 1483 1 116 LYS HB3 1 116 LYS HE3 . . 5.130 4.141 3.898 4.379 . 0 0 "[ . 1 . 2]" 1 1484 1 40 TYR QE 1 107 HIS HE1 . . 3.780 2.644 2.343 3.579 . 0 0 "[ . 1 . 2]" 1 1485 1 45 ASN HA 1 107 HIS HE1 . . 4.490 3.070 2.363 3.853 . 0 0 "[ . 1 . 2]" 1 1486 1 10 ALA HA 1 107 HIS HE1 . . 4.660 3.136 2.483 3.734 . 0 0 "[ . 1 . 2]" 1 1487 1 45 ASN HB2 1 107 HIS HE1 . . 4.660 3.940 3.605 4.507 . 0 0 "[ . 1 . 2]" 1 1488 1 10 ALA MB 1 107 HIS HE1 . . 4.890 4.075 3.612 4.508 . 0 0 "[ . 1 . 2]" 1 1489 1 71 TYR HE2 1 108 VAL HA . . 4.270 2.753 2.549 3.012 . 0 0 "[ . 1 . 2]" 1 1490 1 71 TYR HD2 1 108 VAL HA . . 5.170 5.026 4.762 5.170 0.000 14 0 "[ . 1 . 2]" 1 1491 1 108 VAL HA 1 111 MET HB2 . . 3.880 2.506 2.181 2.891 . 0 0 "[ . 1 . 2]" 1 1492 1 20 GLN HG2 1 24 VAL MG2 . . 5.500 2.689 1.960 5.140 . 0 0 "[ . 1 . 2]" 1 1493 1 77 LYS HB3 1 77 LYS HE2 . . 5.380 4.298 2.400 4.761 . 0 0 "[ . 1 . 2]" 1 1494 1 77 LYS HB3 1 77 LYS HE3 . . 5.380 4.041 2.273 4.673 . 0 0 "[ . 1 . 2]" 1 1495 1 77 LYS H 1 77 LYS HB2 . . 3.790 3.677 3.600 3.746 . 0 0 "[ . 1 . 2]" 1 1496 1 77 LYS HB2 1 77 LYS HE2 . . 5.420 4.221 2.637 4.724 . 0 0 "[ . 1 . 2]" 1 1497 1 77 LYS HB2 1 77 LYS HE3 . . 5.420 3.575 2.289 4.199 . 0 0 "[ . 1 . 2]" 1 1498 1 125 ARG HB3 1 126 ALA H . . 4.490 3.554 2.562 3.799 . 0 0 "[ . 1 . 2]" 1 1499 1 76 VAL HA 1 77 LYS HB3 . . 4.660 4.406 4.285 4.545 . 0 0 "[ . 1 . 2]" 1 1500 1 77 LYS HB2 1 84 PRO HA . . 4.890 4.135 3.819 4.486 . 0 0 "[ . 1 . 2]" 1 1501 1 85 LYS HB3 1 119 HIS HB3 . . 4.490 3.859 3.453 4.207 . 0 0 "[ . 1 . 2]" 1 1502 1 85 LYS HD2 1 119 HIS HB3 . . 4.890 3.205 2.763 3.678 . 0 0 "[ . 1 . 2]" 1 1503 1 119 HIS HB2 1 120 VAL H . . 4.230 3.029 2.945 3.084 . 0 0 "[ . 1 . 2]" 1 1504 1 85 LYS HB3 1 119 HIS HB2 . . 4.240 2.791 2.493 3.067 . 0 0 "[ . 1 . 2]" 1 1505 1 98 ASP HB2 1 101 LYS HB2 . . 5.500 5.036 4.778 5.222 . 0 0 "[ . 1 . 2]" 1 1506 1 98 ASP HB3 1 101 LYS HB2 . . 5.500 4.274 3.884 4.841 . 0 0 "[ . 1 . 2]" 1 1507 1 101 LYS HB2 1 102 GLY HA2 . . 5.500 4.682 4.321 4.799 . 0 0 "[ . 1 . 2]" 1 1508 1 101 LYS HB3 1 102 GLY HA2 . . 5.500 4.195 4.037 4.401 . 0 0 "[ . 1 . 2]" 1 1509 1 101 LYS HB2 1 101 LYS HE2 . . 5.310 4.340 3.417 4.880 . 0 0 "[ . 1 . 2]" 1 1510 1 101 LYS HB3 1 101 LYS HE2 . . 5.500 4.601 4.289 4.787 . 0 0 "[ . 1 . 2]" 1 1511 1 57 LEU MD1 1 132 PRO HA . . 3.880 2.023 1.937 2.254 . 0 0 "[ . 1 . 2]" 1 1512 1 131 GLU HA 1 132 PRO HA . . 4.660 4.373 4.373 4.374 . 0 0 "[ . 1 . 2]" 1 1513 1 86 PHE H 1 119 HIS HB3 . . 4.890 4.760 4.428 4.891 0.001 5 0 "[ . 1 . 2]" 1 1514 1 57 LEU HB3 1 132 PRO HA . . 4.490 3.064 2.683 3.323 . 0 0 "[ . 1 . 2]" 1 1515 1 57 LEU MD2 1 132 PRO HA . . 3.880 2.817 2.488 2.991 . 0 0 "[ . 1 . 2]" 1 1516 1 35 TRP HB2 1 60 MET HG2 . . 5.300 3.697 3.389 4.041 . 0 0 "[ . 1 . 2]" 1 1517 1 79 PRO HB2 1 79 PRO HD3 . . 4.250 3.972 3.964 3.997 . 0 0 "[ . 1 . 2]" 1 1518 1 79 PRO HB2 1 79 PRO HD2 . . 4.360 3.985 3.961 3.991 . 0 0 "[ . 1 . 2]" 1 1519 1 79 PRO HB2 1 140 ALA MB . . 4.660 4.083 3.995 4.201 . 0 0 "[ . 1 . 2]" 1 1520 1 120 VAL MG1 1 138 LYS HB2 . . 4.440 3.157 2.970 3.360 . 0 0 "[ . 1 . 2]" 1 1521 1 120 VAL MG2 1 138 LYS HB2 . . 4.440 4.314 3.956 4.440 0.000 15 0 "[ . 1 . 2]" 1 1522 1 79 PRO HB3 1 79 PRO HD2 . . 4.360 3.899 3.893 3.917 . 0 0 "[ . 1 . 2]" 1 1523 1 40 TYR QD 1 69 VAL HB . . 4.150 3.947 3.563 4.149 . 0 0 "[ . 1 . 2]" 1 1524 1 26 VAL HB 1 27 VAL H . . 4.020 2.847 2.551 3.001 . 0 0 "[ . 1 . 2]" 1 1525 1 26 VAL HB 1 73 PHE QD . . 3.780 2.307 2.154 2.552 . 0 0 "[ . 1 . 2]" 1 1526 1 138 LYS HB3 1 138 LYS HD2 . . 4.070 2.342 2.012 3.354 . 0 0 "[ . 1 . 2]" 1 1527 1 60 MET ME 1 74 CYS HB2 . . 4.180 2.568 2.168 2.800 . 0 0 "[ . 1 . 2]" 1 1528 1 44 SER HB2 1 46 ASP H . . 5.240 5.050 4.872 5.172 . 0 0 "[ . 1 . 2]" 1 1529 1 110 THR HA 1 110 THR MG . . 3.140 2.327 2.188 2.395 . 0 0 "[ . 1 . 2]" 1 1530 1 74 CYS HB2 1 76 VAL MG1 . . 4.670 4.653 4.611 4.671 0.001 6 0 "[ . 1 . 2]" 1 1531 1 74 CYS HB3 1 75 ARG H . . 4.070 2.942 2.634 3.468 . 0 0 "[ . 1 . 2]" 1 1532 1 35 TRP HA 1 74 CYS HB3 . . 5.050 4.809 4.682 4.932 . 0 0 "[ . 1 . 2]" 1 1533 1 60 MET ME 1 74 CYS HB3 . . 4.180 3.754 3.385 4.041 . 0 0 "[ . 1 . 2]" 1 1534 1 55 GLY HA3 1 59 GLU HB3 . . 3.670 2.831 2.476 3.065 . 0 0 "[ . 1 . 2]" 1 1535 1 55 GLY HA3 1 59 GLU HB2 . . 4.000 2.303 2.043 2.522 . 0 0 "[ . 1 . 2]" 1 1536 1 32 PRO HB3 1 33 THR H . . 4.640 4.387 4.386 4.388 . 0 0 "[ . 1 . 2]" 1 1537 1 75 ARG HG2 1 84 PRO HB3 . . 4.410 3.733 2.990 4.153 . 0 0 "[ . 1 . 2]" 1 1538 1 75 ARG HG3 1 84 PRO HB3 . . 4.660 4.267 3.193 4.661 0.001 2 0 "[ . 1 . 2]" 1 1539 1 17 PRO HB3 1 17 PRO HD2 . . 4.360 3.930 3.907 3.957 . 0 0 "[ . 1 . 2]" 1 1540 1 17 PRO HB2 1 17 PRO HD3 . . 4.000 3.883 3.873 3.896 . 0 0 "[ . 1 . 2]" 1 1541 1 75 ARG HG2 1 84 PRO HB2 . . 4.410 3.806 3.192 4.410 . 0 0 "[ . 1 . 2]" 1 1542 1 27 VAL HB 1 86 PHE QE . . 4.200 3.329 3.258 3.439 . 0 0 "[ . 1 . 2]" 1 1543 1 27 VAL HB 1 73 PHE QE . . 4.950 4.788 4.603 4.950 . 0 0 "[ . 1 . 2]" 1 1544 1 99 VAL HA 1 102 GLY H . . 4.120 4.017 3.945 4.119 . 0 0 "[ . 1 . 2]" 1 1545 1 98 ASP HB2 1 99 VAL HA . . 5.500 4.535 3.992 5.471 . 0 0 "[ . 1 . 2]" 1 1546 1 98 ASP HB3 1 99 VAL HA . . 5.500 4.370 3.866 4.931 . 0 0 "[ . 1 . 2]" 1 1547 1 99 VAL HA 1 99 VAL MG1 . . 3.120 2.298 2.233 2.382 . 0 0 "[ . 1 . 2]" 1 1548 1 21 GLU HA 1 24 VAL HB . . 4.130 3.133 2.731 4.040 . 0 0 "[ . 1 . 2]" 1 1549 1 24 VAL HB 1 25 ARG H . . 4.210 3.169 2.756 4.080 . 0 0 "[ . 1 . 2]" 1 1550 1 61 VAL H 1 61 VAL HB . . 3.660 3.617 3.612 3.636 . 0 0 "[ . 1 . 2]" 1 1551 1 61 VAL HB 1 62 GLU H . . 4.490 3.914 3.806 4.025 . 0 0 "[ . 1 . 2]" 1 1552 1 17 PRO HA 1 20 GLN HG2 . . 5.500 4.684 4.456 5.343 . 0 0 "[ . 1 . 2]" 1 1553 1 17 PRO HA 1 20 GLN HG3 . . 5.500 5.421 4.637 5.501 0.001 10 0 "[ . 1 . 2]" 1 1554 1 17 PRO HA 1 20 GLN HB3 . . 3.330 2.729 2.635 2.888 . 0 0 "[ . 1 . 2]" 1 1555 1 99 VAL HA 1 101 LYS H . . 4.890 4.667 4.552 4.764 . 0 0 "[ . 1 . 2]" 1 1556 1 135 ILE HA 1 135 ILE HG13 . . 3.560 2.764 2.526 2.859 . 0 0 "[ . 1 . 2]" 1 1557 1 122 ILE MD 1 135 ILE HA . . 3.080 2.694 2.541 2.822 . 0 0 "[ . 1 . 2]" 1 1558 1 130 VAL HA 1 135 ILE HA . . 5.430 5.168 4.483 5.429 . 0 0 "[ . 1 . 2]" 1 1559 1 135 ILE HA 1 136 MET HA . . 5.500 4.792 4.754 4.814 . 0 0 "[ . 1 . 2]" 1 1560 1 24 VAL HA 1 28 THR HG1 . . 5.500 3.801 3.448 4.788 . 0 0 "[ . 1 . 2]" 1 1561 1 21 GLU HA 1 24 VAL HA . . 5.500 5.419 5.275 5.530 0.030 17 0 "[ . 1 . 2]" 1 1562 1 24 VAL HA 1 27 VAL HB . . 4.780 4.765 4.692 4.785 0.005 8 0 "[ . 1 . 2]" 1 1563 1 24 VAL HA 1 24 VAL MG1 . . 3.320 2.531 2.280 3.199 . 0 0 "[ . 1 . 2]" 1 1564 1 135 ILE HB 1 136 MET HG2 . . 4.360 4.060 3.996 4.156 . 0 0 "[ . 1 . 2]" 1 1565 1 76 VAL MG1 1 136 MET HG3 . . 4.850 4.199 3.776 4.529 . 0 0 "[ . 1 . 2]" 1 1566 1 136 MET ME 1 136 MET HG2 . . 3.540 2.156 2.115 2.195 . 0 0 "[ . 1 . 2]" 1 1567 1 76 VAL MG1 1 136 MET HG2 . . 4.530 3.515 3.140 3.795 . 0 0 "[ . 1 . 2]" 1 1568 1 135 ILE HA 1 138 LYS HB2 . . 3.940 3.450 3.232 3.651 . 0 0 "[ . 1 . 2]" 1 1569 1 91 TRP HZ3 1 130 VAL HB . . 5.500 4.670 4.420 5.182 . 0 0 "[ . 1 . 2]" 1 1570 1 60 MET H 1 60 MET HG2 . . 4.890 4.429 4.396 4.481 . 0 0 "[ . 1 . 2]" 1 1571 1 35 TRP HE3 1 60 MET HG2 . . 4.490 3.885 3.320 4.469 . 0 0 "[ . 1 . 2]" 1 1572 1 35 TRP HB3 1 60 MET HG2 . . 5.300 4.654 4.324 4.957 . 0 0 "[ . 1 . 2]" 1 1573 1 37 LEU MD1 1 60 MET HG2 . . 6.000 2.720 2.194 4.778 . 0 0 "[ . 1 . 2]" 1 1574 1 60 MET H 1 60 MET HG3 . . 4.890 4.556 4.412 4.639 . 0 0 "[ . 1 . 2]" 1 1575 1 35 TRP HE3 1 60 MET HG3 . . 4.490 3.228 2.530 3.868 . 0 0 "[ . 1 . 2]" 1 1576 1 35 TRP HB2 1 60 MET HG3 . . 5.300 2.422 2.003 2.670 . 0 0 "[ . 1 . 2]" 1 1577 1 35 TRP HB3 1 60 MET HG3 . . 5.300 3.444 3.009 3.997 . 0 0 "[ . 1 . 2]" 1 1578 1 60 MET HA 1 60 MET HG3 . . 3.700 3.117 2.512 3.532 . 0 0 "[ . 1 . 2]" 1 1579 1 37 LEU MD1 1 60 MET HG3 . . 6.000 3.129 2.487 4.979 . 0 0 "[ . 1 . 2]" 1 1580 1 139 VAL HA 1 139 VAL MG1 . . 3.250 2.308 2.305 2.324 . 0 0 "[ . 1 . 2]" 1 1581 1 120 VAL HB 1 139 VAL HA . . 5.040 3.772 3.166 4.170 . 0 0 "[ . 1 . 2]" 1 1582 1 138 LYS HB3 1 139 VAL HA . . 5.500 4.620 4.599 4.705 . 0 0 "[ . 1 . 2]" 1 1583 1 31 SER H 1 31 SER HB2 . . 3.350 2.161 2.138 2.247 . 0 0 "[ . 1 . 2]" 1 1584 1 25 ARG HB3 1 26 VAL HA . . 4.910 4.287 3.883 4.470 . 0 0 "[ . 1 . 2]" 1 1585 1 60 MET ME 1 61 VAL HA . . 4.630 4.349 3.760 4.631 0.001 5 0 "[ . 1 . 2]" 1 1586 1 60 MET HB3 1 61 VAL HA . . 5.240 4.335 4.185 4.418 . 0 0 "[ . 1 . 2]" 1 1587 1 61 VAL HA 1 64 LEU HG . . 3.230 2.280 2.011 2.753 . 0 0 "[ . 1 . 2]" 1 1588 1 61 VAL HA 1 61 VAL MG1 . . 3.430 2.345 2.229 2.434 . 0 0 "[ . 1 . 2]" 1 1589 1 61 VAL HA 1 64 LEU MD1 . . 4.240 2.087 1.976 2.252 . 0 0 "[ . 1 . 2]" 1 1590 1 61 VAL HA 1 64 LEU HB3 . . 4.890 4.179 3.867 4.388 . 0 0 "[ . 1 . 2]" 1 1591 1 26 VAL HA 1 26 VAL MG1 . . 3.390 2.364 2.303 2.405 . 0 0 "[ . 1 . 2]" 1 1592 1 72 ALA MB 1 91 TRP HB2 . . 4.790 3.627 3.454 3.831 . 0 0 "[ . 1 . 2]" 1 1593 1 70 MET HB2 1 91 TRP HB2 . . 4.360 3.650 3.388 3.830 . 0 0 "[ . 1 . 2]" 1 1594 1 131 GLU HB3 1 133 GLU H . . 4.360 2.870 2.481 2.900 . 0 0 "[ . 1 . 2]" 1 1595 1 131 GLU H 1 131 GLU HB3 . . 3.460 3.277 3.272 3.281 . 0 0 "[ . 1 . 2]" 1 1596 1 128 GLU HA 1 131 GLU HB2 . . 4.070 3.735 3.597 3.841 . 0 0 "[ . 1 . 2]" 1 1597 1 63 GLU H 1 63 GLU HB3 . . 3.900 3.531 3.472 3.587 . 0 0 "[ . 1 . 2]" 1 1598 1 79 PRO HA 1 81 SER H . . 5.350 5.295 5.027 5.351 0.001 9 0 "[ . 1 . 2]" 1 1599 1 101 LYS HA 1 101 LYS HD2 . . 4.940 4.386 4.246 4.498 . 0 0 "[ . 1 . 2]" 1 1600 1 101 LYS HA 1 101 LYS HD3 . . 5.200 4.337 4.001 4.467 . 0 0 "[ . 1 . 2]" 1 1601 1 92 THR HB 1 101 LYS HD3 . . 4.890 4.497 4.243 4.766 . 0 0 "[ . 1 . 2]" 1 1602 1 126 ALA MB 1 127 GLU HB2 . . 4.070 3.965 3.819 4.043 . 0 0 "[ . 1 . 2]" 1 1603 1 29 GLU HB2 1 30 LYS H . . 4.790 3.993 3.117 4.169 . 0 0 "[ . 1 . 2]" 1 1604 1 29 GLU HB3 1 30 LYS H . . 4.790 3.984 3.192 4.241 . 0 0 "[ . 1 . 2]" 1 1605 1 140 ALA MB 1 141 SER HB2 . . 5.500 4.282 3.865 5.231 . 0 0 "[ . 1 . 2]" 1 1606 1 140 ALA MB 1 141 SER HB3 . . 5.500 4.958 4.202 5.372 . 0 0 "[ . 1 . 2]" 1 1607 1 62 GLU H 1 62 GLU HB3 . . 3.700 3.458 3.384 3.537 . 0 0 "[ . 1 . 2]" 1 1608 1 116 LYS H 1 116 LYS HD2 . . 5.500 5.013 4.926 5.171 . 0 0 "[ . 1 . 2]" 1 1609 1 116 LYS H 1 116 LYS HD3 . . 5.500 5.059 4.889 5.192 . 0 0 "[ . 1 . 2]" 1 1610 1 137 GLU H 1 137 GLU HB3 . . 3.480 3.394 2.387 3.478 . 0 0 "[ . 1 . 2]" 1 1611 1 41 GLU HB3 1 44 SER HG . . 5.190 4.251 2.682 4.812 . 0 0 "[ . 1 . 2]" 1 1612 1 62 GLU HB3 1 63 GLU H . . 3.830 3.521 3.410 3.675 . 0 0 "[ . 1 . 2]" 1 1613 1 127 GLU HB2 1 128 GLU H . . 3.940 3.187 3.085 3.290 . 0 0 "[ . 1 . 2]" 1 1614 1 133 GLU H 1 133 GLU HB2 . . 4.140 3.548 2.651 3.634 . 0 0 "[ . 1 . 2]" 1 1615 1 126 ALA HA 1 127 GLU HB2 . . 4.660 4.524 4.414 4.650 . 0 0 "[ . 1 . 2]" 1 1616 1 127 GLU HB3 1 130 VAL MG2 . . 4.070 3.627 3.527 3.714 . 0 0 "[ . 1 . 2]" 1 1617 1 133 GLU H 1 133 GLU HB3 . . 4.140 2.672 2.498 3.591 . 0 0 "[ . 1 . 2]" 1 1618 1 100 ARG HB2 1 101 LYS H . . 4.660 3.911 3.839 4.024 . 0 0 "[ . 1 . 2]" 1 1619 1 138 LYS H 1 138 LYS HD2 . . 4.950 4.949 4.934 4.975 0.025 9 0 "[ . 1 . 2]" 1 1620 1 30 LYS HA 1 30 LYS HD2 . . 5.170 3.761 2.619 4.690 . 0 0 "[ . 1 . 2]" 1 1621 1 30 LYS HA 1 30 LYS HD3 . . 5.170 4.026 3.123 4.746 . 0 0 "[ . 1 . 2]" 1 1622 1 138 LYS H 1 138 LYS HD3 . . 4.950 4.924 4.847 4.950 0.000 1 0 "[ . 1 . 2]" 1 1623 1 23 TYR QD 1 114 PHE QD . . 5.050 4.729 4.233 5.040 . 0 0 "[ . 1 . 2]" 1 1624 1 23 TYR QD 1 73 PHE QD . . 4.360 3.200 2.780 3.887 . 0 0 "[ . 1 . 2]" 1 1625 1 23 TYR QD 1 73 PHE QE . . 4.360 3.078 2.408 3.769 . 0 0 "[ . 1 . 2]" 1 1626 1 20 GLN HA 1 23 TYR QD . . 4.360 3.624 3.335 4.069 . 0 0 "[ . 1 . 2]" 1 1627 1 23 TYR QD 1 24 VAL HA . . 4.360 3.684 2.811 4.360 0.000 7 0 "[ . 1 . 2]" 1 1628 1 23 TYR QD 1 115 LEU HA . . 3.760 3.143 2.359 3.746 . 0 0 "[ . 1 . 2]" 1 1629 1 20 GLN HB2 1 23 TYR QD . . 5.500 5.156 4.875 5.512 0.012 17 0 "[ . 1 . 2]" 1 1630 1 23 TYR QD 1 26 VAL HB . . 5.500 4.211 3.302 5.046 . 0 0 "[ . 1 . 2]" 1 1631 1 28 THR HA 1 28 THR MG . . 3.260 2.324 2.319 2.340 . 0 0 "[ . 1 . 2]" 1 1632 1 13 SER HB2 1 14 ARG H . . 4.140 2.935 2.268 3.960 . 0 0 "[ . 1 . 2]" 1 1633 1 68 LYS HA 1 68 LYS HD3 . . 5.050 4.657 4.619 4.695 . 0 0 "[ . 1 . 2]" 1 1634 1 65 ASN HB3 1 68 LYS HD3 . . 4.660 3.282 2.567 3.582 . 0 0 "[ . 1 . 2]" 1 1635 1 68 LYS HA 1 68 LYS HD2 . . 5.050 4.957 4.921 4.976 . 0 0 "[ . 1 . 2]" 1 1636 1 65 ASN HB3 1 68 LYS HD2 . . 4.660 4.330 4.044 4.485 . 0 0 "[ . 1 . 2]" 1 1637 1 138 LYS HB3 1 138 LYS HD3 . . 4.070 2.563 1.991 2.934 . 0 0 "[ . 1 . 2]" 1 1638 1 66 SER HB3 1 94 GLU H . . 4.640 4.089 3.554 4.540 . 0 0 "[ . 1 . 2]" 1 1639 1 33 THR HA 1 54 GLU HA . . 3.560 3.356 3.144 3.514 . 0 0 "[ . 1 . 2]" 1 1640 1 33 THR HA 1 54 GLU HG2 . . 3.740 3.335 3.117 3.621 . 0 0 "[ . 1 . 2]" 1 1641 1 33 THR HA 1 33 THR MG . . 3.410 2.368 2.333 2.413 . 0 0 "[ . 1 . 2]" 1 1642 1 38 PHE QD 1 49 VAL HA . . 3.940 2.341 1.999 3.066 . 0 0 "[ . 1 . 2]" 1 1643 1 75 ARG HG3 1 84 PRO HB2 . . 4.660 3.745 3.185 4.317 . 0 0 "[ . 1 . 2]" 1 1644 1 37 LEU HA 1 38 PHE QD . . 4.660 3.517 2.982 3.952 . 0 0 "[ . 1 . 2]" 1 1645 1 38 PHE QD 1 71 TYR HB3 . . 4.890 3.633 3.092 3.970 . 0 0 "[ . 1 . 2]" 1 1646 1 22 ALA MB 1 49 VAL HA . . 4.890 4.143 3.822 4.433 . 0 0 "[ . 1 . 2]" 1 1647 1 25 ARG H 1 25 ARG HG3 . . 3.700 2.489 2.148 3.207 . 0 0 "[ . 1 . 2]" 1 1648 1 88 LEU HA 1 88 LEU HG . . 3.940 3.523 3.070 3.692 . 0 0 "[ . 1 . 2]" 1 1649 1 25 ARG HG2 1 33 THR HB . . 4.890 4.609 4.038 4.891 0.001 13 0 "[ . 1 . 2]" 1 1650 1 12 LEU H 1 12 LEU HG . . 4.150 3.326 2.728 3.962 . 0 0 "[ . 1 . 2]" 1 1651 1 12 LEU HA 1 12 LEU HG . . 3.740 2.384 2.270 2.617 . 0 0 "[ . 1 . 2]" 1 1652 1 38 PHE QD 1 49 VAL H . . 5.500 3.656 3.190 4.190 . 0 0 "[ . 1 . 2]" 1 1653 1 38 PHE QD 1 71 TYR HB2 . . 4.490 2.798 2.367 3.112 . 0 0 "[ . 1 . 2]" 1 1654 1 36 ALA MB 1 38 PHE QD . . 5.030 3.895 3.768 4.092 . 0 0 "[ . 1 . 2]" 1 1655 1 113 SER H 1 113 SER HB2 . . 3.520 2.156 2.079 2.476 . 0 0 "[ . 1 . 2]" 1 1656 1 128 GLU HB2 1 129 ASP H . . 4.920 3.728 3.006 4.106 . 0 0 "[ . 1 . 2]" 1 1657 1 128 GLU HB3 1 129 ASP H . . 4.920 4.091 4.018 4.147 . 0 0 "[ . 1 . 2]" 1 1658 1 24 VAL MG1 1 25 ARG HG3 . . 5.360 3.582 2.741 3.935 . 0 0 "[ . 1 . 2]" 1 1659 1 25 ARG HG3 1 33 THR MG . . 5.500 4.703 4.502 4.883 . 0 0 "[ . 1 . 2]" 1 1660 1 24 VAL MG2 1 25 ARG HG3 . . 5.360 4.746 4.603 5.269 . 0 0 "[ . 1 . 2]" 1 1661 1 12 LEU HG 1 47 ILE HB . . 4.240 2.210 2.000 2.576 . 0 0 "[ . 1 . 2]" 1 1662 1 136 MET HB2 1 137 GLU H . . 4.490 3.087 2.963 3.134 . 0 0 "[ . 1 . 2]" 1 1663 1 136 MET H 1 136 MET HB3 . . 4.000 3.489 3.469 3.499 . 0 0 "[ . 1 . 2]" 1 1664 1 85 LYS HD3 1 119 HIS HB3 . . 4.890 3.792 2.834 4.525 . 0 0 "[ . 1 . 2]" 1 1665 1 86 PHE H 1 86 PHE QD . . 4.150 3.408 3.105 3.643 . 0 0 "[ . 1 . 2]" 1 1666 1 86 PHE QD 1 119 HIS HE1 . . 3.630 3.514 3.151 3.629 . 0 0 "[ . 1 . 2]" 1 1667 1 73 PHE QE 1 86 PHE QD . . 4.360 3.812 3.678 3.979 . 0 0 "[ . 1 . 2]" 1 1668 1 75 ARG HG3 1 86 PHE QD . . 4.060 2.434 2.093 2.792 . 0 0 "[ . 1 . 2]" 1 1669 1 132 PRO HA 1 135 ILE HG13 . . 4.890 4.514 4.323 4.891 0.001 13 0 "[ . 1 . 2]" 1 1670 1 135 ILE H 1 135 ILE HG12 . . 4.180 3.894 3.763 4.078 . 0 0 "[ . 1 . 2]" 1 1671 1 130 VAL HA 1 135 ILE HG12 . . 4.360 3.496 2.951 4.019 . 0 0 "[ . 1 . 2]" 1 1672 1 135 ILE HA 1 135 ILE HG12 . . 3.780 2.774 2.678 3.038 . 0 0 "[ . 1 . 2]" 1 1673 1 27 VAL HA 1 73 PHE QE . . 4.890 4.196 3.993 4.436 . 0 0 "[ . 1 . 2]" 1 1674 1 27 VAL HA 1 86 PHE QD . . 4.890 3.900 3.576 4.101 . 0 0 "[ . 1 . 2]" 1 1675 1 96 VAL HA 1 96 VAL MG1 . . 3.280 2.457 2.291 3.185 . 0 0 "[ . 1 . 2]" 1 1676 1 20 GLN HB2 1 114 PHE QE . . 4.930 2.916 2.684 3.216 . 0 0 "[ . 1 . 2]" 1 1677 1 20 GLN HB2 1 114 PHE HZ . . 5.000 3.531 3.314 3.689 . 0 0 "[ . 1 . 2]" 1 1678 1 20 GLN HB3 1 21 GLU HA . . 4.660 4.370 4.230 4.468 . 0 0 "[ . 1 . 2]" 1 1679 1 38 PHE QE 1 49 VAL MG1 . . 5.280 3.774 3.412 4.346 . 0 0 "[ . 1 . 2]" 1 1680 1 26 VAL HB 1 73 PHE QE . . 4.950 2.752 2.555 3.035 . 0 0 "[ . 1 . 2]" 1 1681 1 69 VAL MG2 1 104 CYS HB2 . . 4.540 3.093 2.611 3.726 . 0 0 "[ . 1 . 2]" 1 1682 1 69 VAL MG2 1 104 CYS HB3 . . 4.540 3.037 2.659 3.486 . 0 0 "[ . 1 . 2]" 1 1683 1 89 ILE HA 1 89 ILE HG13 . . 4.000 2.693 2.450 2.844 . 0 0 "[ . 1 . 2]" 1 1684 1 89 ILE HG13 1 122 ILE HB . . 3.700 3.568 3.266 3.700 . 10 0 "[ . 1 . 2]" 1 1685 1 57 LEU HB3 1 132 PRO HG3 . . 4.150 3.402 3.180 3.593 . 0 0 "[ . 1 . 2]" 1 1686 1 89 ILE HA 1 89 ILE HG12 . . 4.000 2.865 2.687 3.216 . 0 0 "[ . 1 . 2]" 1 1687 1 89 ILE HG12 1 122 ILE HB . . 3.660 2.758 2.406 3.541 . 0 0 "[ . 1 . 2]" 1 1688 1 89 ILE H 1 89 ILE HG12 . . 4.660 4.172 3.913 4.389 . 0 0 "[ . 1 . 2]" 1 1689 1 73 PHE QD 1 115 LEU MD2 . . 4.660 3.439 3.190 3.808 . 0 0 "[ . 1 . 2]" 1 1690 1 114 PHE QD 1 115 LEU H . . 4.240 3.558 3.249 3.831 . 0 0 "[ . 1 . 2]" 1 1691 1 114 PHE HA 1 114 PHE QD . . 3.330 2.266 2.199 2.439 . 0 0 "[ . 1 . 2]" 1 1692 1 111 MET ME 1 114 PHE QD . . 3.510 2.900 2.650 3.225 . 0 0 "[ . 1 . 2]" 1 1693 1 114 PHE QD 1 115 LEU HG . . 3.430 2.496 2.018 2.880 . 0 0 "[ . 1 . 2]" 1 1694 1 110 THR MG 1 114 PHE QD . . 5.240 5.205 5.103 5.240 . 0 0 "[ . 1 . 2]" 1 1695 1 12 LEU MD1 1 114 PHE QD . . 4.240 4.158 3.861 4.240 0.000 10 0 "[ . 1 . 2]" 1 1696 1 114 PHE QD 1 115 LEU MD2 . . 3.590 2.807 2.510 3.128 . 0 0 "[ . 1 . 2]" 1 1697 1 131 GLU HA 1 132 PRO HG2 . . 4.660 4.643 4.639 4.644 . 0 0 "[ . 1 . 2]" 1 1698 1 57 LEU HB3 1 132 PRO HG2 . . 5.330 5.108 4.892 5.299 . 0 0 "[ . 1 . 2]" 1 1699 1 109 SER HB2 1 110 THR H . . 5.180 3.503 2.642 4.143 . 0 0 "[ . 1 . 2]" 1 1700 1 109 SER HB3 1 110 THR H . . 5.180 3.003 2.628 3.669 . 0 0 "[ . 1 . 2]" 1 1701 1 35 TRP HZ3 1 37 LEU HG . . 5.240 4.898 3.372 5.214 . 0 0 "[ . 1 . 2]" 1 1702 1 37 LEU HG 1 38 PHE H . . 4.660 2.984 2.584 4.445 . 0 0 "[ . 1 . 2]" 1 1703 1 35 TRP HE3 1 37 LEU HG . . 5.500 5.344 3.320 5.500 0.000 10 0 "[ . 1 . 2]" 1 1704 1 37 LEU HG 1 70 MET ME . . 4.070 2.542 2.099 4.070 0.000 8 0 "[ . 1 . 2]" 1 1705 1 121 THR HA 1 122 ILE HG13 . . 4.890 3.630 3.442 3.947 . 0 0 "[ . 1 . 2]" 1 1706 1 122 ILE HA 1 122 ILE HG13 . . 3.830 3.021 2.896 3.154 . 0 0 "[ . 1 . 2]" 1 1707 1 122 ILE H 1 122 ILE HG12 . . 4.360 4.012 3.724 4.195 . 0 0 "[ . 1 . 2]" 1 1708 1 75 ARG HG3 1 86 PHE QE . . 3.640 2.083 1.999 2.262 . 0 0 "[ . 1 . 2]" 1 1709 1 27 VAL MG1 1 86 PHE QE . . 4.360 2.864 2.717 3.116 . 0 0 "[ . 1 . 2]" 1 1710 1 109 SER HB2 1 112 ALA MB . . 5.500 5.160 4.886 5.411 . 0 0 "[ . 1 . 2]" 1 1711 1 109 SER HB3 1 112 ALA MB . . 5.500 5.118 4.557 5.416 . 0 0 "[ . 1 . 2]" 1 1712 1 79 PRO HG3 1 140 ALA MB . . 3.590 1.967 1.890 2.098 . 0 0 "[ . 1 . 2]" 1 1713 1 79 PRO HG2 1 140 ALA HA . . 4.600 3.372 3.157 3.672 . 0 0 "[ . 1 . 2]" 1 1714 1 79 PRO HG3 1 140 ALA HA . . 4.600 3.010 2.587 3.466 . 0 0 "[ . 1 . 2]" 1 1715 1 88 LEU HB3 1 121 THR HA . . 3.780 2.702 2.390 2.863 . 0 0 "[ . 1 . 2]" 1 1716 1 88 LEU HB2 1 121 THR HA . . 4.240 4.052 3.631 4.241 0.001 6 0 "[ . 1 . 2]" 1 1717 1 120 VAL HA 1 121 THR HA . . 5.000 4.398 4.384 4.425 . 0 0 "[ . 1 . 2]" 1 1718 1 121 THR HA 1 122 ILE HA . . 5.370 4.424 4.395 4.444 . 0 0 "[ . 1 . 2]" 1 1719 1 66 SER HA 1 93 GLY HA3 . . 3.940 2.858 2.213 3.295 . 0 0 "[ . 1 . 2]" 1 1720 1 83 LEU H 1 83 LEU HG . . 3.530 2.842 2.753 2.989 . 0 0 "[ . 1 . 2]" 1 1721 1 83 LEU HA 1 83 LEU HG . . 4.000 3.075 2.998 3.173 . 0 0 "[ . 1 . 2]" 1 1722 1 83 LEU HG 1 84 PRO HD2 . . 4.890 4.551 4.341 4.828 . 0 0 "[ . 1 . 2]" 1 1723 1 73 PHE HZ 1 86 PHE QD . . 4.890 3.359 3.182 3.586 . 0 0 "[ . 1 . 2]" 1 1724 1 27 VAL MG2 1 73 PHE HZ . . 5.500 5.488 5.413 5.500 0.000 6 0 "[ . 1 . 2]" 1 1725 1 89 ILE HA 1 121 THR HA . . 4.890 4.541 4.350 4.731 . 0 0 "[ . 1 . 2]" 1 1726 1 35 TRP HD1 1 56 GLY HA3 . . 4.490 4.397 4.303 4.490 0.000 20 0 "[ . 1 . 2]" 1 1727 1 35 TRP HD1 1 59 GLU HB3 . . 4.890 3.727 3.463 3.968 . 0 0 "[ . 1 . 2]" 1 1728 1 35 TRP HD1 1 60 MET HB2 . . 4.890 3.627 3.145 4.011 . 0 0 "[ . 1 . 2]" 1 1729 1 73 PHE HZ 1 86 PHE HB3 . . 4.890 2.310 2.114 2.552 . 0 0 "[ . 1 . 2]" 1 1730 1 23 TYR HA 1 38 PHE HZ . . 4.150 3.423 3.096 3.636 . 0 0 "[ . 1 . 2]" 1 1731 1 23 TYR HA 1 23 TYR QD . . 3.390 2.666 2.200 3.040 . 0 0 "[ . 1 . 2]" 1 1732 1 23 TYR HA 1 26 VAL HB . . 4.150 3.177 2.844 3.530 . 0 0 "[ . 1 . 2]" 1 1733 1 22 ALA MB 1 23 TYR HA . . 4.890 3.910 3.795 3.962 . 0 0 "[ . 1 . 2]" 1 1734 1 133 GLU H 1 134 CYS HB2 . . 4.660 4.387 4.162 4.437 . 0 0 "[ . 1 . 2]" 1 1735 1 131 GLU HG3 1 134 CYS HB2 . . 5.190 5.070 4.946 5.150 . 0 0 "[ . 1 . 2]" 1 1736 1 131 GLU HG2 1 134 CYS HB2 . . 5.190 4.910 4.801 4.957 . 0 0 "[ . 1 . 2]" 1 1737 1 131 GLU HB3 1 134 CYS HB2 . . 3.480 2.943 2.828 2.990 . 0 0 "[ . 1 . 2]" 1 1738 1 131 GLU HB2 1 134 CYS HB2 . . 3.530 2.506 2.331 2.563 . 0 0 "[ . 1 . 2]" 1 1739 1 134 CYS HB3 1 135 ILE HG13 . . 4.310 3.082 2.929 3.336 . 0 0 "[ . 1 . 2]" 1 1740 1 134 CYS HB3 1 135 ILE MG . . 5.500 5.357 5.300 5.481 . 0 0 "[ . 1 . 2]" 1 1741 1 14 ARG HG3 1 15 ASN H . . 4.890 4.223 4.086 4.393 . 0 0 "[ . 1 . 2]" 1 1742 1 57 LEU MD1 1 132 PRO HB3 . . 4.490 2.256 1.975 2.610 . 0 0 "[ . 1 . 2]" 1 1743 1 57 LEU HB3 1 57 LEU MD1 . . 3.390 2.810 2.685 2.916 . 0 0 "[ . 1 . 2]" 1 1744 1 37 LEU MD1 1 51 GLY H . . 5.500 5.142 4.502 5.336 . 0 0 "[ . 1 . 2]" 1 1745 1 35 TRP HE3 1 37 LEU MD1 . . 5.010 3.012 2.752 4.963 . 0 0 "[ . 1 . 2]" 1 1746 1 37 LEU MD1 1 64 LEU H . . 5.090 3.821 2.684 4.316 . 0 0 "[ . 1 . 2]" 1 1747 1 35 TRP HZ3 1 37 LEU MD1 . . 4.950 3.375 2.920 4.787 . 0 0 "[ . 1 . 2]" 1 1748 1 37 LEU HA 1 37 LEU MD1 . . 4.070 2.283 1.967 3.786 . 0 0 "[ . 1 . 2]" 1 1749 1 37 LEU MD1 1 64 LEU HA . . 4.660 3.675 2.613 3.863 . 0 0 "[ . 1 . 2]" 1 1750 1 37 LEU MD1 1 70 MET HB3 . . 4.360 3.924 2.000 4.260 . 0 0 "[ . 1 . 2]" 1 1751 1 37 LEU MD1 1 63 GLU HB3 . . 4.790 3.763 2.094 4.029 . 0 0 "[ . 1 . 2]" 1 1752 1 122 ILE MD 1 134 CYS HB3 . . 5.140 4.726 4.498 4.957 . 0 0 "[ . 1 . 2]" 1 1753 1 134 CYS HB3 1 135 ILE HG12 . . 5.500 4.413 4.264 4.689 . 0 0 "[ . 1 . 2]" 1 1754 1 48 ARG HG3 1 49 VAL H . . 5.380 3.788 2.716 4.402 . 0 0 "[ . 1 . 2]" 1 1755 1 48 ARG H 1 48 ARG HG3 . . 4.180 2.805 2.472 4.084 . 0 0 "[ . 1 . 2]" 1 1756 1 47 ILE HG13 1 71 TYR HE1 . . 5.040 3.924 3.312 4.862 . 0 0 "[ . 1 . 2]" 1 1757 1 48 ARG HG2 1 49 VAL H . . 5.380 4.773 3.324 5.346 . 0 0 "[ . 1 . 2]" 1 1758 1 57 LEU MD1 1 60 MET ME . . 4.290 4.288 4.272 4.291 0.001 18 0 "[ . 1 . 2]" 1 1759 1 57 LEU HA 1 57 LEU MD1 . . 4.070 3.885 3.816 3.946 . 0 0 "[ . 1 . 2]" 1 1760 1 64 LEU MD1 1 91 TRP HE3 . . 4.660 2.557 2.408 2.726 . 0 0 "[ . 1 . 2]" 1 1761 1 64 LEU MD1 1 91 TRP HB2 . . 4.890 3.049 2.822 3.405 . 0 0 "[ . 1 . 2]" 1 1762 1 64 LEU MD1 1 72 ALA MB . . 4.330 3.255 3.009 3.540 . 0 0 "[ . 1 . 2]" 1 1763 1 37 LEU MD1 1 64 LEU MD1 . . 4.660 3.663 3.460 4.398 . 0 0 "[ . 1 . 2]" 1 1764 1 64 LEU HB3 1 64 LEU MD1 . . 3.430 2.387 2.243 2.538 . 0 0 "[ . 1 . 2]" 1 1765 1 23 TYR HB3 1 114 PHE QE . . 4.610 3.800 3.703 3.926 . 0 0 "[ . 1 . 2]" 1 1766 1 23 TYR HB2 1 114 PHE QE . . 4.660 3.456 3.195 3.667 . 0 0 "[ . 1 . 2]" 1 1767 1 20 GLN HG2 1 114 PHE QE . . 5.500 4.829 4.358 5.125 . 0 0 "[ . 1 . 2]" 1 1768 1 20 GLN HG3 1 114 PHE QE . . 5.500 3.620 3.163 5.066 . 0 0 "[ . 1 . 2]" 1 1769 1 19 LEU HB3 1 114 PHE QE . . 4.100 2.450 2.131 2.799 . 0 0 "[ . 1 . 2]" 1 1770 1 69 VAL MG1 1 92 THR HA . . 3.970 3.191 2.908 3.542 . 0 0 "[ . 1 . 2]" 1 1771 1 12 LEU MD1 1 47 ILE HG13 . . 4.660 3.084 2.435 3.575 . 0 0 "[ . 1 . 2]" 1 1772 1 12 LEU MD2 1 47 ILE HG13 . . 4.660 3.927 3.117 4.472 . 0 0 "[ . 1 . 2]" 1 1773 1 91 TRP HZ3 1 127 GLU HA . . 3.660 2.610 2.241 3.100 . 0 0 "[ . 1 . 2]" 1 1774 1 103 ALA HA 1 104 CYS HA . . 5.210 4.704 4.676 4.795 . 0 0 "[ . 1 . 2]" 1 1775 1 104 CYS HA 1 105 ALA HA . . 5.500 4.862 4.823 4.894 . 0 0 "[ . 1 . 2]" 1 1776 1 104 CYS HA 1 107 HIS HB2 . . 4.660 3.175 2.552 3.592 . 0 0 "[ . 1 . 2]" 1 1777 1 103 ALA MB 1 104 CYS HA . . 4.490 3.862 3.733 3.939 . 0 0 "[ . 1 . 2]" 1 1778 1 69 VAL MG1 1 104 CYS HA . . 5.500 4.759 4.558 5.089 . 0 0 "[ . 1 . 2]" 1 1779 1 69 VAL MG2 1 104 CYS HA . . 5.500 4.920 4.605 5.367 . 0 0 "[ . 1 . 2]" 1 1780 1 100 ARG H 1 100 ARG HG2 . . 4.890 4.610 4.582 4.652 . 0 0 "[ . 1 . 2]" 1 1781 1 71 TYR HA 1 115 LEU MD1 . . 5.500 4.730 4.411 5.138 . 0 0 "[ . 1 . 2]" 1 1782 1 72 ALA HA 1 115 LEU MD1 . . 5.500 5.081 4.828 5.302 . 0 0 "[ . 1 . 2]" 1 1783 1 73 PHE HB3 1 115 LEU MD1 . . 4.150 3.926 3.462 4.149 . 0 0 "[ . 1 . 2]" 1 1784 1 73 PHE HB2 1 115 LEU MD1 . . 3.560 2.501 2.169 2.747 . 0 0 "[ . 1 . 2]" 1 1785 1 113 SER HA 1 116 LYS HD3 . . 4.770 4.278 3.879 4.646 . 0 0 "[ . 1 . 2]" 1 1786 1 126 ALA HA 1 127 GLU HA . . 4.660 4.305 4.299 4.311 . 0 0 "[ . 1 . 2]" 1 1787 1 98 ASP HA 1 101 LYS HA . . 5.190 5.003 4.883 5.136 . 0 0 "[ . 1 . 2]" 1 1788 1 101 LYS HA 1 101 LYS HG3 . . 3.880 2.950 2.764 3.413 . 0 0 "[ . 1 . 2]" 1 1789 1 122 ILE HG12 1 138 LYS HG3 . . 4.890 3.829 3.557 4.132 . 0 0 "[ . 1 . 2]" 1 1790 1 135 ILE H 1 138 LYS HG3 . . 5.500 5.457 5.277 5.500 0.000 19 0 "[ . 1 . 2]" 1 1791 1 137 GLU H 1 138 LYS HG3 . . 5.500 4.759 4.666 4.889 . 0 0 "[ . 1 . 2]" 1 1792 1 138 LYS HA 1 138 LYS HG3 . . 4.020 3.680 3.629 3.785 . 0 0 "[ . 1 . 2]" 1 1793 1 135 ILE HA 1 138 LYS HG2 . . 4.890 4.669 4.305 4.831 . 0 0 "[ . 1 . 2]" 1 1794 1 92 THR H 1 124 ALA MB . . 4.660 4.249 4.129 4.367 . 0 0 "[ . 1 . 2]" 1 1795 1 124 ALA MB 1 126 ALA H . . 3.910 3.326 3.161 3.456 . 0 0 "[ . 1 . 2]" 1 1796 1 124 ALA MB 1 129 ASP H . . 4.470 3.919 3.806 3.968 . 0 0 "[ . 1 . 2]" 1 1797 1 91 TRP HE3 1 124 ALA MB . . 3.410 3.377 3.322 3.410 0.000 13 0 "[ . 1 . 2]" 1 1798 1 91 TRP HZ3 1 124 ALA MB . . 3.890 3.863 3.781 3.891 0.001 7 0 "[ . 1 . 2]" 1 1799 1 123 ASN HA 1 124 ALA MB . . 4.360 4.194 4.164 4.231 . 0 0 "[ . 1 . 2]" 1 1800 1 124 ALA MB 1 129 ASP HA . . 4.660 3.956 3.915 4.044 . 0 0 "[ . 1 . 2]" 1 1801 1 124 ALA MB 1 129 ASP HB3 . . 3.330 2.155 1.950 2.252 . 0 0 "[ . 1 . 2]" 1 1802 1 89 ILE MG 1 124 ALA MB . . 2.790 2.638 2.440 2.768 . 0 0 "[ . 1 . 2]" 1 1803 1 124 ALA MB 1 130 VAL MG1 . . 2.780 1.847 1.822 1.863 . 0 0 "[ . 1 . 2]" 1 1804 1 38 PHE QD 1 115 LEU MD1 . . 4.010 3.068 2.657 3.363 . 0 0 "[ . 1 . 2]" 1 1805 1 38 PHE QE 1 115 LEU MD1 . . 4.450 3.310 2.763 3.678 . 0 0 "[ . 1 . 2]" 1 1806 1 73 PHE QD 1 115 LEU MD1 . . 4.150 3.234 2.984 3.522 . 0 0 "[ . 1 . 2]" 1 1807 1 71 TYR HD2 1 115 LEU MD1 . . 4.490 3.538 3.124 4.105 . 0 0 "[ . 1 . 2]" 1 1808 1 23 TYR QD 1 115 LEU MD1 . . 4.950 4.212 3.953 4.656 . 0 0 "[ . 1 . 2]" 1 1809 1 114 PHE QE 1 115 LEU MD1 . . 5.380 4.240 3.815 4.652 . 0 0 "[ . 1 . 2]" 1 1810 1 111 MET HA 1 115 LEU MD1 . . 4.890 4.678 4.514 4.846 . 0 0 "[ . 1 . 2]" 1 1811 1 71 TYR HB3 1 115 LEU MD1 . . 3.940 2.758 2.424 3.175 . 0 0 "[ . 1 . 2]" 1 1812 1 71 TYR HB2 1 115 LEU MD1 . . 4.240 3.270 2.926 3.536 . 0 0 "[ . 1 . 2]" 1 1813 1 115 LEU HB2 1 115 LEU MD1 . . 3.350 2.277 2.108 2.381 . 0 0 "[ . 1 . 2]" 1 1814 1 38 PHE HZ 1 114 PHE HZ . . 5.500 5.161 4.958 5.496 . 0 0 "[ . 1 . 2]" 1 1815 1 23 TYR QD 1 38 PHE HZ . . 5.200 4.708 4.347 4.979 . 0 0 "[ . 1 . 2]" 1 1816 1 38 PHE HZ 1 114 PHE QE . . 5.430 4.348 3.766 4.660 . 0 0 "[ . 1 . 2]" 1 1817 1 23 TYR HB3 1 38 PHE HZ . . 4.890 4.668 4.353 4.891 0.001 10 0 "[ . 1 . 2]" 1 1818 1 23 TYR HB2 1 38 PHE HZ . . 4.360 3.458 3.091 3.702 . 0 0 "[ . 1 . 2]" 1 1819 1 38 PHE HZ 1 52 THR MG . . 5.500 4.277 3.828 4.873 . 0 0 "[ . 1 . 2]" 1 1820 1 122 ILE MD 1 138 LYS HG2 . . 4.490 3.581 3.365 3.791 . 0 0 "[ . 1 . 2]" 1 1821 1 124 ALA MB 1 130 VAL HA . . 4.660 3.650 3.633 3.727 . 0 0 "[ . 1 . 2]" 1 1822 1 124 ALA MB 1 130 VAL HB . . 4.490 4.091 4.063 4.161 . 0 0 "[ . 1 . 2]" 1 1823 1 88 LEU H 1 88 LEU MD1 . . 4.660 4.225 4.200 4.305 . 0 0 "[ . 1 . 2]" 1 1824 1 73 PHE QD 1 88 LEU MD1 . . 4.490 3.692 2.092 4.372 . 0 0 "[ . 1 . 2]" 1 1825 1 73 PHE QE 1 88 LEU MD1 . . 5.500 4.832 3.388 5.500 . 0 0 "[ . 1 . 2]" 1 1826 1 88 LEU HA 1 88 LEU MD1 . . 4.040 2.505 1.990 2.727 . 0 0 "[ . 1 . 2]" 1 1827 1 88 LEU MD1 1 89 ILE HA . . 5.500 3.732 3.279 4.911 . 0 0 "[ . 1 . 2]" 1 1828 1 88 LEU MD1 1 90 ASN HA . . 5.500 3.938 3.574 4.792 . 0 0 "[ . 1 . 2]" 1 1829 1 88 LEU MD1 1 112 ALA HA . . 3.970 3.858 3.659 3.970 . 2 0 "[ . 1 . 2]" 1 1830 1 27 VAL HA 1 86 PHE HZ . . 3.700 2.895 2.387 3.375 . 0 0 "[ . 1 . 2]" 1 1831 1 75 ARG HD3 1 86 PHE HZ . . 5.500 5.484 5.381 5.501 0.001 8 0 "[ . 1 . 2]" 1 1832 1 27 VAL HB 1 86 PHE HZ . . 4.890 2.501 2.296 2.863 . 0 0 "[ . 1 . 2]" 1 1833 1 75 ARG HG3 1 86 PHE HZ . . 4.890 4.363 4.224 4.577 . 0 0 "[ . 1 . 2]" 1 1834 1 27 VAL MG1 1 86 PHE HZ . . 4.660 2.953 2.690 3.432 . 0 0 "[ . 1 . 2]" 1 1835 1 106 SER HA 1 108 VAL H . . 4.660 4.175 4.035 4.409 . 0 0 "[ . 1 . 2]" 1 1836 1 25 ARG HA 1 28 THR MG . . 4.660 3.899 3.841 4.003 . 0 0 "[ . 1 . 2]" 1 1837 1 30 LYS H 1 30 LYS HG2 . . 5.190 4.512 4.223 4.659 . 0 0 "[ . 1 . 2]" 1 1838 1 30 LYS H 1 30 LYS HG3 . . 5.190 4.226 3.916 4.432 . 0 0 "[ . 1 . 2]" 1 1839 1 19 LEU MD1 1 114 PHE QE . . 4.890 4.024 3.687 4.351 . 0 0 "[ . 1 . 2]" 1 1840 1 12 LEU MD1 1 114 PHE H . . 5.500 5.098 4.811 5.246 . 0 0 "[ . 1 . 2]" 1 1841 1 12 LEU H 1 12 LEU MD1 . . 4.950 2.940 2.469 3.400 . 0 0 "[ . 1 . 2]" 1 1842 1 12 LEU MD1 1 47 ILE H . . 5.370 3.852 3.047 4.655 . 0 0 "[ . 1 . 2]" 1 1843 1 12 LEU MD1 1 111 MET H . . 5.500 4.272 3.842 4.524 . 0 0 "[ . 1 . 2]" 1 1844 1 12 LEU MD1 1 111 MET HA . . 4.150 3.346 2.865 3.640 . 0 0 "[ . 1 . 2]" 1 1845 1 12 LEU HA 1 12 LEU MD1 . . 4.070 3.472 3.204 3.776 . 0 0 "[ . 1 . 2]" 1 1846 1 12 LEU MD1 1 114 PHE HB2 . . 3.700 3.606 3.280 3.702 0.002 10 0 "[ . 1 . 2]" 1 1847 1 12 LEU MD1 1 47 ILE HB . . 4.420 2.975 1.988 3.816 . 0 0 "[ . 1 . 2]" 1 1848 1 25 ARG HA 1 33 THR HG1 . . 4.660 4.314 4.206 4.503 . 0 0 "[ . 1 . 2]" 1 1849 1 13 SER HA 1 14 ARG HA . . 5.270 4.838 4.781 4.861 . 0 0 "[ . 1 . 2]" 1 1850 1 133 GLU HA 1 134 CYS HA . . 5.500 4.815 4.774 4.832 . 0 0 "[ . 1 . 2]" 1 1851 1 25 ARG HA 1 25 ARG HG2 . . 3.530 2.734 2.402 2.884 . 0 0 "[ . 1 . 2]" 1 1852 1 25 ARG HA 1 33 THR HB . . 4.240 3.984 3.906 4.128 . 0 0 "[ . 1 . 2]" 1 1853 1 25 ARG HA 1 25 ARG HD3 . . 4.630 4.512 4.311 4.613 . 0 0 "[ . 1 . 2]" 1 1854 1 73 PHE QE 1 88 LEU MD2 . . 5.500 3.335 2.744 4.426 . 0 0 "[ . 1 . 2]" 1 1855 1 88 LEU HA 1 88 LEU MD2 . . 4.040 2.595 2.015 3.900 . 0 0 "[ . 1 . 2]" 1 1856 1 88 LEU MD2 1 112 ALA HA . . 3.970 3.417 2.119 3.970 0.000 11 0 "[ . 1 . 2]" 1 1857 1 88 LEU HB3 1 88 LEU MD2 . . 3.660 2.902 2.223 3.182 . 0 0 "[ . 1 . 2]" 1 1858 1 12 LEU HA 1 19 LEU MD1 . . 3.330 2.307 1.973 2.581 . 0 0 "[ . 1 . 2]" 1 1859 1 16 GLY HA2 1 19 LEU MD1 . . 3.780 2.883 2.612 3.101 . 0 0 "[ . 1 . 2]" 1 1860 1 15 ASN HB2 1 19 LEU MD1 . . 4.490 2.102 1.967 3.040 . 0 0 "[ . 1 . 2]" 1 1861 1 15 ASN HB3 1 19 LEU MD1 . . 4.490 3.574 3.317 4.235 . 0 0 "[ . 1 . 2]" 1 1862 1 19 LEU HB2 1 19 LEU MD1 . . 3.370 2.032 1.966 2.208 . 0 0 "[ . 1 . 2]" 1 1863 1 19 LEU HB3 1 19 LEU MD1 . . 3.220 2.640 2.544 2.740 . 0 0 "[ . 1 . 2]" 1 1864 1 133 GLU HA 1 136 MET HG3 . . 4.490 3.963 3.817 4.185 . 0 0 "[ . 1 . 2]" 1 1865 1 133 GLU HA 1 136 MET HG2 . . 5.170 4.867 4.705 5.171 0.001 7 0 "[ . 1 . 2]" 1 1866 1 133 GLU HA 1 133 GLU HG2 . . 4.040 3.648 2.561 4.041 0.001 19 0 "[ . 1 . 2]" 1 1867 1 57 LEU HB2 1 58 GLU HA . . 4.890 4.210 4.022 4.357 . 0 0 "[ . 1 . 2]" 1 1868 1 58 GLU HA 1 61 VAL H . . 4.490 4.127 3.918 4.370 . 0 0 "[ . 1 . 2]" 1 1869 1 58 GLU HA 1 58 GLU HG2 . . 3.660 2.442 2.098 3.355 . 0 0 "[ . 1 . 2]" 1 1870 1 58 GLU HA 1 132 PRO HG3 . . 4.000 3.631 3.084 3.996 . 0 0 "[ . 1 . 2]" 1 1871 1 21 GLU HA 1 21 GLU HB2 . . 2.880 2.470 2.417 2.506 . 0 0 "[ . 1 . 2]" 1 1872 1 83 LEU H 1 83 LEU MD1 . . 4.150 3.864 3.695 4.021 . 0 0 "[ . 1 . 2]" 1 1873 1 83 LEU HA 1 83 LEU MD1 . . 4.070 3.905 3.874 3.973 . 0 0 "[ . 1 . 2]" 1 1874 1 83 LEU MD1 1 84 PRO HD2 . . 4.360 3.956 3.799 4.300 . 0 0 "[ . 1 . 2]" 1 1875 1 37 LEU MD2 1 38 PHE H . . 4.610 4.132 2.108 4.543 . 0 0 "[ . 1 . 2]" 1 1876 1 37 LEU MD2 1 51 GLY H . . 5.500 4.498 4.265 5.161 . 0 0 "[ . 1 . 2]" 1 1877 1 37 LEU MD2 1 63 GLU H . . 5.500 3.998 3.673 5.501 0.001 8 0 "[ . 1 . 2]" 1 1878 1 35 TRP HE3 1 37 LEU MD2 . . 5.010 4.362 2.423 4.703 . 0 0 "[ . 1 . 2]" 1 1879 1 19 LEU MD2 1 114 PHE HZ . . 5.500 4.305 4.133 4.638 . 0 0 "[ . 1 . 2]" 1 1880 1 37 LEU MD2 1 64 LEU H . . 5.090 3.243 3.063 4.440 . 0 0 "[ . 1 . 2]" 1 1881 1 37 LEU MD2 1 65 ASN H . . 5.500 3.872 3.567 5.500 . 0 0 "[ . 1 . 2]" 1 1882 1 37 LEU HA 1 37 LEU MD2 . . 4.070 3.624 2.045 3.788 . 0 0 "[ . 1 . 2]" 1 1883 1 37 LEU MD2 1 64 LEU HA . . 4.660 2.637 2.298 3.893 . 0 0 "[ . 1 . 2]" 1 1884 1 37 LEU MD2 1 63 GLU HB3 . . 4.790 2.173 1.896 4.488 . 0 0 "[ . 1 . 2]" 1 1885 1 88 LEU MD2 1 89 ILE HA . . 5.500 5.239 5.128 5.491 . 0 0 "[ . 1 . 2]" 1 1886 1 136 MET HB3 1 137 GLU HA . . 4.890 4.136 4.045 4.178 . 0 0 "[ . 1 . 2]" 1 1887 1 137 GLU HA 1 140 ALA H . . 4.070 4.066 4.036 4.071 0.001 9 0 "[ . 1 . 2]" 1 1888 1 137 GLU HA 1 140 ALA MB . . 3.920 3.663 3.614 3.698 . 0 0 "[ . 1 . 2]" 1 1889 1 77 LYS HA 1 77 LYS HG3 . . 3.880 3.749 3.668 3.870 . 0 0 "[ . 1 . 2]" 1 1890 1 84 PRO HA 1 85 LYS HG3 . . 5.500 4.946 4.690 5.081 . 0 0 "[ . 1 . 2]" 1 1891 1 77 LYS HA 1 77 LYS HG2 . . 3.880 3.753 3.650 3.847 . 0 0 "[ . 1 . 2]" 1 1892 1 37 LEU MD2 1 71 TYR H . . 5.230 4.822 2.724 5.215 . 0 0 "[ . 1 . 2]" 1 1893 1 19 LEU MD2 1 114 PHE QE . . 4.260 3.131 2.736 3.466 . 0 0 "[ . 1 . 2]" 1 1894 1 122 ILE HA 1 122 ILE HG12 . . 3.670 2.591 2.519 2.655 . 0 0 "[ . 1 . 2]" 1 1895 1 19 LEU MD2 1 48 ARG H . . 4.660 3.280 2.996 3.619 . 0 0 "[ . 1 . 2]" 1 1896 1 15 ASN HD21 1 19 LEU MD2 . . 4.890 4.323 3.863 4.912 0.022 17 0 "[ . 1 . 2]" 1 1897 1 19 LEU MD2 1 38 PHE QD . . 3.040 1.937 1.885 2.155 . 0 0 "[ . 1 . 2]" 1 1898 1 19 LEU MD2 1 48 ARG HA . . 3.590 1.997 1.901 2.084 . 0 0 "[ . 1 . 2]" 1 1899 1 19 LEU HA 1 19 LEU MD2 . . 3.090 2.552 2.230 2.737 . 0 0 "[ . 1 . 2]" 1 1900 1 19 LEU MD2 1 38 PHE HB3 . . 4.120 2.852 2.473 3.381 . 0 0 "[ . 1 . 2]" 1 1901 1 19 LEU HB3 1 19 LEU MD2 . . 3.330 2.052 1.971 2.261 . 0 0 "[ . 1 . 2]" 1 1902 1 128 GLU HA 1 128 GLU HG2 . . 4.230 3.438 2.549 4.044 . 0 0 "[ . 1 . 2]" 1 1903 1 35 TRP HH2 1 52 THR HA . . 4.890 3.934 3.766 4.056 . 0 0 "[ . 1 . 2]" 1 1904 1 35 TRP HZ3 1 52 THR HA . . 4.660 3.496 3.072 3.718 . 0 0 "[ . 1 . 2]" 1 1905 1 36 ALA HA 1 52 THR HA . . 3.310 2.662 2.557 2.822 . 0 0 "[ . 1 . 2]" 1 1906 1 51 GLY HA2 1 52 THR HA . . 4.860 4.448 4.427 4.493 . 0 0 "[ . 1 . 2]" 1 1907 1 51 GLY HA3 1 52 THR HA . . 5.180 4.387 4.353 4.411 . 0 0 "[ . 1 . 2]" 1 1908 1 33 THR MG 1 52 THR HA . . 4.490 4.124 3.861 4.337 . 0 0 "[ . 1 . 2]" 1 1909 1 19 LEU MD2 1 49 VAL HA . . 4.360 3.120 2.743 3.349 . 0 0 "[ . 1 . 2]" 1 1910 1 20 GLN HA 1 20 GLN HG2 . . 4.030 3.200 2.603 3.793 . 0 0 "[ . 1 . 2]" 1 1911 1 20 GLN HA 1 20 GLN HG3 . . 4.030 2.746 2.598 3.358 . 0 0 "[ . 1 . 2]" 1 1912 1 29 GLU HA 1 30 LYS H . . 3.480 3.425 3.416 3.442 . 0 0 "[ . 1 . 2]" 1 1913 1 29 GLU HA 1 31 SER H . . 4.490 4.373 4.019 4.490 0.000 11 0 "[ . 1 . 2]" 1 1914 1 91 TRP HD1 1 92 THR HA . . 4.890 4.501 4.373 4.644 . 0 0 "[ . 1 . 2]" 1 1915 1 70 MET HG3 1 91 TRP HD1 . . 3.560 2.347 2.215 2.442 . 0 0 "[ . 1 . 2]" 1 1916 1 70 MET HB3 1 91 TRP HD1 . . 4.630 3.972 3.876 4.139 . 0 0 "[ . 1 . 2]" 1 1917 1 70 MET HB2 1 91 TRP HD1 . . 3.940 2.403 2.272 2.639 . 0 0 "[ . 1 . 2]" 1 1918 1 20 GLN HA 1 114 PHE HZ . . 3.940 2.020 1.999 2.195 . 0 0 "[ . 1 . 2]" 1 1919 1 20 GLN HA 1 114 PHE QE . . 3.840 2.690 2.514 2.925 . 0 0 "[ . 1 . 2]" 1 1920 1 20 GLN HA 1 23 TYR HB3 . . 3.590 2.516 2.295 2.686 . 0 0 "[ . 1 . 2]" 1 1921 1 12 LEU MD2 1 111 MET H . . 5.500 5.404 5.031 5.498 . 0 0 "[ . 1 . 2]" 1 1922 1 12 LEU MD2 1 114 PHE H . . 5.500 5.011 4.404 5.447 . 0 0 "[ . 1 . 2]" 1 1923 1 12 LEU H 1 12 LEU MD2 . . 4.950 4.452 4.191 4.610 . 0 0 "[ . 1 . 2]" 1 1924 1 12 LEU MD2 1 114 PHE QD . . 4.240 2.664 2.322 3.026 . 0 0 "[ . 1 . 2]" 1 1925 1 12 LEU MD2 1 111 MET HA . . 4.150 3.504 2.930 3.796 . 0 0 "[ . 1 . 2]" 1 1926 1 12 LEU HA 1 12 LEU MD2 . . 4.070 3.349 3.119 3.525 . 0 0 "[ . 1 . 2]" 1 1927 1 12 LEU MD2 1 114 PHE HB2 . . 3.700 3.061 2.390 3.663 . 0 0 "[ . 1 . 2]" 1 1928 1 12 LEU MD2 1 114 PHE HB3 . . 4.360 3.357 2.836 3.779 . 0 0 "[ . 1 . 2]" 1 1929 1 12 LEU MD2 1 47 ILE HB . . 4.420 2.900 2.033 3.719 . 0 0 "[ . 1 . 2]" 1 1930 1 130 VAL HA 1 135 ILE HG13 . . 3.830 3.047 2.654 3.257 . 0 0 "[ . 1 . 2]" 1 1931 1 130 VAL HA 1 130 VAL MG1 . . 3.060 2.309 2.272 2.353 . 0 0 "[ . 1 . 2]" 1 1932 1 138 LYS HA 1 138 LYS HG2 . . 3.350 2.494 2.466 2.632 . 0 0 "[ . 1 . 2]" 1 1933 1 120 VAL MG2 1 138 LYS HA . . 5.500 4.639 4.440 4.917 . 0 0 "[ . 1 . 2]" 1 1934 1 35 TRP HE3 1 60 MET HA . . 4.600 3.537 3.186 4.073 . 0 0 "[ . 1 . 2]" 1 1935 1 59 GLU HB3 1 60 MET HA . . 4.840 4.045 3.928 4.117 . 0 0 "[ . 1 . 2]" 1 1936 1 60 MET HA 1 63 GLU HG3 . . 5.070 4.011 3.392 4.529 . 0 0 "[ . 1 . 2]" 1 1937 1 60 MET HA 1 60 MET HG2 . . 3.700 2.779 2.507 3.260 . 0 0 "[ . 1 . 2]" 1 1938 1 60 MET HA 1 63 GLU HB2 . . 4.000 3.397 3.028 3.950 . 0 0 "[ . 1 . 2]" 1 1939 1 60 MET HA 1 62 GLU H . . 4.890 4.178 3.959 4.344 . 0 0 "[ . 1 . 2]" 1 1940 1 24 VAL H 1 24 VAL MG1 . . 3.830 3.377 2.176 3.775 . 0 0 "[ . 1 . 2]" 1 1941 1 21 GLU HA 1 24 VAL MG1 . . 4.490 3.627 1.888 4.307 . 0 0 "[ . 1 . 2]" 1 1942 1 20 GLN HG3 1 24 VAL MG1 . . 5.500 4.961 3.075 5.500 0.000 10 0 "[ . 1 . 2]" 1 1943 1 19 LEU HA 1 22 ALA H . . 4.490 3.624 3.459 3.684 . 0 0 "[ . 1 . 2]" 1 1944 1 19 LEU HA 1 38 PHE QE . . 3.410 2.349 2.039 2.676 . 0 0 "[ . 1 . 2]" 1 1945 1 19 LEU HA 1 19 LEU HG . . 4.070 2.813 2.746 3.023 . 0 0 "[ . 1 . 2]" 1 1946 1 19 LEU HA 1 22 ALA MB . . 3.750 3.030 2.726 3.250 . 0 0 "[ . 1 . 2]" 1 1947 1 36 ALA MB 1 38 PHE HZ . . 3.430 2.514 2.236 2.773 . 0 0 "[ . 1 . 2]" 1 1948 1 35 TRP HA 1 36 ALA MB . . 4.490 3.800 3.757 3.809 . 0 0 "[ . 1 . 2]" 1 1949 1 23 TYR HA 1 36 ALA MB . . 3.940 3.817 3.440 3.941 0.001 5 0 "[ . 1 . 2]" 1 1950 1 36 ALA MB 1 52 THR HA . . 4.360 3.840 3.690 4.058 . 0 0 "[ . 1 . 2]" 1 1951 1 36 ALA MB 1 73 PHE HB3 . . 4.000 2.329 2.048 2.523 . 0 0 "[ . 1 . 2]" 1 1952 1 36 ALA MB 1 73 PHE HB2 . . 4.240 3.607 3.235 3.874 . 0 0 "[ . 1 . 2]" 1 1953 1 36 ALA MB 1 115 LEU MD2 . . 4.890 4.216 3.854 4.448 . 0 0 "[ . 1 . 2]" 1 1954 1 35 TRP HE3 1 36 ALA MB . . 4.660 4.104 3.935 4.197 . 0 0 "[ . 1 . 2]" 1 1955 1 26 VAL MG1 1 35 TRP H . . 5.500 4.360 4.237 4.483 . 0 0 "[ . 1 . 2]" 1 1956 1 26 VAL HA 1 26 VAL MG2 . . 3.390 2.432 2.420 2.436 . 0 0 "[ . 1 . 2]" 1 1957 1 26 VAL MG1 1 73 PHE HB2 . . 5.500 4.469 4.215 5.074 . 0 0 "[ . 1 . 2]" 1 1958 1 26 VAL MG1 1 73 PHE QD . . 3.760 2.277 2.059 2.833 . 0 0 "[ . 1 . 2]" 1 1959 1 26 VAL MG2 1 73 PHE QD . . 3.760 2.429 2.085 2.729 . 0 0 "[ . 1 . 2]" 1 1960 1 26 VAL MG1 1 73 PHE QE . . 4.320 2.839 2.646 3.131 . 0 0 "[ . 1 . 2]" 1 1961 1 26 VAL MG2 1 73 PHE QE . . 4.320 4.049 3.832 4.259 . 0 0 "[ . 1 . 2]" 1 1962 1 98 ASP HA 1 101 LYS HB2 . . 3.280 2.331 2.189 2.622 . 0 0 "[ . 1 . 2]" 1 1963 1 98 ASP HA 1 101 LYS HD2 . . 3.700 3.216 2.530 3.659 . 0 0 "[ . 1 . 2]" 1 1964 1 26 VAL MG1 1 33 THR HB . . 5.430 4.672 4.521 4.856 . 0 0 "[ . 1 . 2]" 1 1965 1 26 VAL MG2 1 33 THR HB . . 5.430 3.671 3.588 3.861 . 0 0 "[ . 1 . 2]" 1 1966 1 59 GLU HA 1 62 GLU HB2 . . 3.740 2.343 2.040 2.649 . 0 0 "[ . 1 . 2]" 1 1967 1 35 TRP HB2 1 72 ALA MB . . 5.500 4.268 3.956 4.540 . 0 0 "[ . 1 . 2]" 1 1968 1 61 VAL HA 1 72 ALA MB . . 5.500 4.953 4.660 5.140 . 0 0 "[ . 1 . 2]" 1 1969 1 72 ALA MB 1 73 PHE HB3 . . 5.500 5.330 5.205 5.399 . 0 0 "[ . 1 . 2]" 1 1970 1 35 TRP HB3 1 72 ALA MB . . 5.500 5.223 4.902 5.500 . 0 0 "[ . 1 . 2]" 1 1971 1 72 ALA MB 1 73 PHE HB2 . . 5.500 5.000 4.840 5.114 . 0 0 "[ . 1 . 2]" 1 1972 1 72 ALA H 1 72 ALA MB . . 3.260 2.331 2.221 2.475 . 0 0 "[ . 1 . 2]" 1 1973 1 37 LEU HA 1 72 ALA MB . . 4.250 3.968 3.740 4.127 . 0 0 "[ . 1 . 2]" 1 1974 1 72 ALA MB 1 89 ILE HA . . 4.890 4.788 4.490 4.890 0.000 20 0 "[ . 1 . 2]" 1 1975 1 72 ALA MB 1 89 ILE HB . . 2.820 2.189 1.977 2.401 . 0 0 "[ . 1 . 2]" 1 1976 1 114 PHE HA 1 116 LYS HG2 . . 5.500 5.148 4.720 5.499 . 0 0 "[ . 1 . 2]" 1 1977 1 114 PHE HA 1 116 LYS HG3 . . 5.500 4.857 4.500 5.350 . 0 0 "[ . 1 . 2]" 1 1978 1 56 GLY HA3 1 57 LEU HA . . 5.230 4.486 4.432 4.602 . 0 0 "[ . 1 . 2]" 1 1979 1 57 LEU HA 1 60 MET HB3 . . 3.530 2.314 2.044 2.500 . 0 0 "[ . 1 . 2]" 1 1980 1 57 LEU HA 1 60 MET HB2 . . 4.070 3.103 2.878 3.366 . 0 0 "[ . 1 . 2]" 1 1981 1 72 ALA MB 1 89 ILE MD . . 3.050 2.327 1.912 2.626 . 0 0 "[ . 1 . 2]" 1 1982 1 71 TYR HD2 1 108 VAL MG1 . . 4.930 4.415 3.977 4.754 . 0 0 "[ . 1 . 2]" 1 1983 1 71 TYR HE2 1 108 VAL MG1 . . 4.910 2.812 2.354 3.421 . 0 0 "[ . 1 . 2]" 1 1984 1 90 ASN HD22 1 108 VAL MG1 . . 4.660 2.808 1.978 3.273 . 0 0 "[ . 1 . 2]" 1 1985 1 108 VAL HA 1 108 VAL MG1 . . 3.310 2.322 2.290 2.375 . 0 0 "[ . 1 . 2]" 1 1986 1 90 ASN HB3 1 108 VAL MG1 . . 4.360 4.149 3.648 4.360 . 10 0 "[ . 1 . 2]" 1 1987 1 57 LEU HA 1 57 LEU MD2 . . 4.070 2.809 2.531 3.096 . 0 0 "[ . 1 . 2]" 1 1988 1 57 LEU MD2 1 60 MET ME . . 4.290 2.046 1.927 2.160 . 0 0 "[ . 1 . 2]" 1 1989 1 38 PHE QE 1 115 LEU MD2 . . 3.710 2.921 2.546 3.152 . 0 0 "[ . 1 . 2]" 1 1990 1 38 PHE HZ 1 115 LEU MD2 . . 3.830 3.575 3.156 3.831 0.001 10 0 "[ . 1 . 2]" 1 1991 1 115 LEU MD2 1 116 LYS H . . 4.490 4.344 4.170 4.490 . 2 0 "[ . 1 . 2]" 1 1992 1 23 TYR QD 1 115 LEU MD2 . . 3.140 2.072 1.908 2.570 . 0 0 "[ . 1 . 2]" 1 1993 1 73 PHE HB2 1 115 LEU MD2 . . 3.740 3.154 2.577 3.470 . 0 0 "[ . 1 . 2]" 1 1994 1 115 LEU HA 1 115 LEU MD2 . . 3.050 2.142 2.004 2.338 . 0 0 "[ . 1 . 2]" 1 1995 1 23 TYR HB2 1 115 LEU MD2 . . 3.830 2.543 2.248 2.733 . 0 0 "[ . 1 . 2]" 1 1996 1 114 PHE HB3 1 115 LEU MD2 . . 4.890 3.965 3.667 4.211 . 0 0 "[ . 1 . 2]" 1 1997 1 114 PHE HZ 1 115 LEU MD2 . . 4.490 3.916 3.702 4.133 . 0 0 "[ . 1 . 2]" 1 1998 1 23 TYR HA 1 115 LEU MD2 . . 4.490 3.595 3.274 3.878 . 0 0 "[ . 1 . 2]" 1 1999 1 73 PHE HB3 1 115 LEU MD2 . . 4.070 3.782 3.265 4.050 . 0 0 "[ . 1 . 2]" 1 2000 1 136 MET ME 1 139 VAL MG1 . . 3.660 2.303 2.161 2.481 . 0 0 "[ . 1 . 2]" 1 2001 1 57 LEU MD2 1 132 PRO HB3 . . 4.490 4.362 4.159 4.490 . 0 0 "[ . 1 . 2]" 1 2002 1 57 LEU HB3 1 57 LEU MD2 . . 3.390 2.048 1.977 2.185 . 0 0 "[ . 1 . 2]" 1 2003 1 73 PHE HA 1 89 ILE H . . 4.490 3.930 3.611 4.152 . 0 0 "[ . 1 . 2]" 1 2004 1 73 PHE HA 1 73 PHE QD . . 3.590 2.237 2.126 2.342 . 0 0 "[ . 1 . 2]" 1 2005 1 60 MET ME 1 73 PHE HA . . 5.500 5.115 4.878 5.320 . 0 0 "[ . 1 . 2]" 1 2006 1 73 PHE HA 1 88 LEU HB2 . . 5.500 5.248 4.712 5.498 . 0 0 "[ . 1 . 2]" 1 2007 1 73 PHE HA 1 89 ILE HG13 . . 5.500 5.347 5.079 5.501 0.001 8 0 "[ . 1 . 2]" 1 2008 1 73 PHE HA 1 115 LEU MD1 . . 4.890 4.168 3.997 4.355 . 0 0 "[ . 1 . 2]" 1 2009 1 40 TYR HA 1 40 TYR QD . . 4.150 3.042 2.898 3.122 . 0 0 "[ . 1 . 2]" 1 2010 1 40 TYR HA 1 47 ILE HA . . 3.700 2.330 2.098 2.461 . 0 0 "[ . 1 . 2]" 1 2011 1 62 GLU HA 1 64 LEU H . . 4.490 4.341 4.226 4.424 . 0 0 "[ . 1 . 2]" 1 2012 1 62 GLU HA 1 62 GLU HG3 . . 4.070 3.468 3.230 3.625 . 0 0 "[ . 1 . 2]" 1 2013 1 62 GLU HA 1 62 GLU HG2 . . 4.070 2.172 2.046 2.407 . 0 0 "[ . 1 . 2]" 1 2014 1 22 ALA H 1 49 VAL MG1 . . 4.990 4.755 4.358 4.991 0.001 10 0 "[ . 1 . 2]" 1 2015 1 38 PHE QD 1 49 VAL MG1 . . 5.090 3.985 3.597 4.447 . 0 0 "[ . 1 . 2]" 1 2016 1 49 VAL HA 1 49 VAL MG1 . . 3.330 2.506 2.304 3.185 . 0 0 "[ . 1 . 2]" 1 2017 1 22 ALA MB 1 49 VAL MG1 . . 3.200 2.862 2.565 3.200 . 0 0 "[ . 1 . 2]" 1 2018 1 60 MET ME 1 130 VAL MG1 . . 4.730 4.609 4.291 4.730 0.000 19 0 "[ . 1 . 2]" 1 2019 1 89 ILE HG13 1 130 VAL MG1 . . 5.410 5.117 4.443 5.294 . 0 0 "[ . 1 . 2]" 1 2020 1 40 TYR HA 1 47 ILE HG12 . . 5.390 4.696 4.067 4.908 . 0 0 "[ . 1 . 2]" 1 2021 1 69 VAL MG2 1 92 THR HA . . 3.970 2.841 2.635 3.012 . 0 0 "[ . 1 . 2]" 1 2022 1 126 ALA H 1 130 VAL MG1 . . 4.980 4.165 4.072 4.478 . 0 0 "[ . 1 . 2]" 1 2023 1 129 ASP H 1 130 VAL MG1 . . 5.220 3.597 3.533 4.053 . 0 0 "[ . 1 . 2]" 1 2024 1 91 TRP HE3 1 130 VAL MG1 . . 3.530 2.370 2.173 2.774 . 0 0 "[ . 1 . 2]" 1 2025 1 91 TRP HZ3 1 130 VAL MG1 . . 3.530 2.723 2.529 3.005 . 0 0 "[ . 1 . 2]" 1 2026 1 127 GLU HA 1 130 VAL MG1 . . 4.890 3.632 3.592 3.783 . 0 0 "[ . 1 . 2]" 1 2027 1 129 ASP HB2 1 130 VAL MG1 . . 3.830 3.248 3.193 3.398 . 0 0 "[ . 1 . 2]" 1 2028 1 129 ASP HB3 1 130 VAL MG1 . . 4.070 3.524 3.299 3.571 . 0 0 "[ . 1 . 2]" 1 2029 1 89 ILE HB 1 130 VAL MG1 . . 4.660 4.335 3.664 4.510 . 0 0 "[ . 1 . 2]" 1 2030 1 122 ILE HB 1 130 VAL MG1 . . 4.950 4.884 4.268 4.950 0.000 12 0 "[ . 1 . 2]" 1 2031 1 64 LEU MD1 1 130 VAL MG1 . . 4.660 2.816 2.662 3.128 . 0 0 "[ . 1 . 2]" 1 2032 1 64 LEU MD2 1 130 VAL MG1 . . 4.660 4.259 4.036 4.435 . 0 0 "[ . 1 . 2]" 1 2033 1 126 ALA MB 1 127 GLU H . . 3.170 2.382 2.145 2.564 . 0 0 "[ . 1 . 2]" 1 2034 1 126 ALA MB 1 128 GLU H . . 3.280 2.326 2.183 2.506 . 0 0 "[ . 1 . 2]" 1 2035 1 91 TRP HH2 1 126 ALA MB . . 4.660 4.220 3.843 4.360 . 0 0 "[ . 1 . 2]" 1 2036 1 126 ALA MB 1 129 ASP HB2 . . 4.490 3.258 3.099 3.620 . 0 0 "[ . 1 . 2]" 1 2037 1 126 ALA MB 1 128 GLU HG3 . . 3.980 3.222 2.095 3.960 . 0 0 "[ . 1 . 2]" 1 2038 1 100 ARG HA 1 100 ARG HD3 . . 3.700 3.077 2.060 3.696 . 0 0 "[ . 1 . 2]" 1 2039 1 100 ARG HA 1 103 ALA MB . . 3.330 2.357 2.184 2.605 . 0 0 "[ . 1 . 2]" 1 2040 1 126 ALA MB 1 127 GLU HA . . 4.360 4.277 4.212 4.325 . 0 0 "[ . 1 . 2]" 1 2041 1 69 VAL MG1 1 104 CYS HB2 . . 4.540 2.943 2.499 3.736 . 0 0 "[ . 1 . 2]" 1 2042 1 69 VAL MG1 1 104 CYS HB3 . . 4.540 3.446 2.378 3.915 . 0 0 "[ . 1 . 2]" 1 2043 1 33 THR MG 1 54 GLU HA . . 5.050 4.612 4.323 4.905 . 0 0 "[ . 1 . 2]" 1 2044 1 83 LEU HA 1 83 LEU MD2 . . 4.070 2.191 1.975 2.517 . 0 0 "[ . 1 . 2]" 1 2045 1 64 LEU MD2 1 91 TRP HE3 . . 4.660 3.468 3.016 3.650 . 0 0 "[ . 1 . 2]" 1 2046 1 64 LEU HA 1 64 LEU MD2 . . 4.490 2.109 1.971 2.216 . 0 0 "[ . 1 . 2]" 1 2047 1 61 VAL HA 1 64 LEU MD2 . . 4.240 3.858 3.672 4.118 . 0 0 "[ . 1 . 2]" 1 2048 1 64 LEU MD2 1 91 TRP HB2 . . 4.890 2.304 1.957 2.542 . 0 0 "[ . 1 . 2]" 1 2049 1 64 LEU MD2 1 72 ALA MB . . 4.330 2.615 2.279 3.013 . 0 0 "[ . 1 . 2]" 1 2050 1 37 LEU MD1 1 64 LEU MD2 . . 4.660 1.981 1.864 2.234 . 0 0 "[ . 1 . 2]" 1 2051 1 64 LEU HB3 1 64 LEU MD2 . . 3.430 2.305 2.235 2.400 . 0 0 "[ . 1 . 2]" 1 2052 1 30 LYS HA 1 30 LYS HG2 . . 3.900 2.999 2.167 3.645 . 0 0 "[ . 1 . 2]" 1 2053 1 30 LYS HA 1 30 LYS HG3 . . 3.900 2.556 2.146 3.480 . 0 0 "[ . 1 . 2]" 1 2054 1 116 LYS HA 1 116 LYS HE2 . . 5.500 5.027 4.635 5.448 . 0 0 "[ . 1 . 2]" 1 2055 1 116 LYS HA 1 116 LYS HE3 . . 5.500 4.826 4.166 5.001 . 0 0 "[ . 1 . 2]" 1 2056 1 116 LYS HA 1 116 LYS HD3 . . 3.530 3.117 2.794 3.474 . 0 0 "[ . 1 . 2]" 1 2057 1 33 THR MG 1 34 ASP H . . 3.660 2.809 2.142 3.357 . 0 0 "[ . 1 . 2]" 1 2058 1 110 THR H 1 110 THR MG . . 3.830 3.779 3.767 3.794 . 0 0 "[ . 1 . 2]" 1 2059 1 33 THR MG 1 53 GLY H . . 3.480 3.348 3.028 3.482 0.002 16 0 "[ . 1 . 2]" 1 2060 1 99 VAL HA 1 99 VAL MG2 . . 2.910 2.378 2.327 2.418 . 0 0 "[ . 1 . 2]" 1 2061 1 83 LEU MD2 1 84 PRO HD2 . . 4.360 2.617 2.292 3.176 . 0 0 "[ . 1 . 2]" 1 2062 1 110 THR MG 1 111 MET HA . . 4.150 3.491 3.329 3.805 . 0 0 "[ . 1 . 2]" 1 2063 1 86 PHE HA 1 86 PHE QD . . 3.700 2.160 2.070 2.330 . 0 0 "[ . 1 . 2]" 1 2064 1 120 VAL HA 1 120 VAL MG1 . . 3.370 2.260 2.210 2.366 . 0 0 "[ . 1 . 2]" 1 2065 1 120 VAL MG1 1 138 LYS HA . . 5.500 4.060 3.661 4.433 . 0 0 "[ . 1 . 2]" 1 2066 1 120 VAL MG1 1 139 VAL HA . . 4.850 4.031 3.421 4.451 . 0 0 "[ . 1 . 2]" 1 2067 1 38 PHE HA 1 38 PHE QD . . 4.150 2.858 2.639 3.090 . 0 0 "[ . 1 . 2]" 1 2068 1 76 VAL HA 1 76 VAL MG1 . . 3.150 2.254 2.176 2.398 . 0 0 "[ . 1 . 2]" 1 2069 1 74 CYS HB3 1 76 VAL MG1 . . 4.670 3.272 3.178 3.442 . 0 0 "[ . 1 . 2]" 1 2070 1 60 MET ME 1 74 CYS HA . . 4.660 4.520 4.301 4.660 0.000 13 0 "[ . 1 . 2]" 1 2071 1 88 LEU H 1 120 VAL MG2 . . 5.450 5.441 5.391 5.451 0.001 5 0 "[ . 1 . 2]" 1 2072 1 71 TYR HA 1 71 TYR HD2 . . 4.980 3.220 3.096 3.352 . 0 0 "[ . 1 . 2]" 1 2073 1 71 TYR HA 1 90 ASN HA . . 3.940 3.318 3.107 3.566 . 0 0 "[ . 1 . 2]" 1 2074 1 71 TYR HA 1 72 ALA MB . . 4.660 3.929 3.854 3.998 . 0 0 "[ . 1 . 2]" 1 2075 1 136 MET HA 1 139 VAL HB . . 3.310 2.432 2.272 2.493 . 0 0 "[ . 1 . 2]" 1 2076 1 24 VAL H 1 24 VAL MG2 . . 3.830 2.731 2.199 3.756 . 0 0 "[ . 1 . 2]" 1 2077 1 24 VAL MG2 1 25 ARG H . . 4.100 3.935 3.881 3.981 . 0 0 "[ . 1 . 2]" 1 2078 1 21 GLU HA 1 24 VAL MG2 . . 4.490 3.065 2.393 4.492 0.002 11 0 "[ . 1 . 2]" 1 2079 1 24 VAL MG2 1 27 VAL MG2 . . 4.070 3.334 2.641 3.574 . 0 0 "[ . 1 . 2]" 1 2080 1 139 VAL MG2 1 140 ALA H . . 3.990 3.883 3.846 3.919 . 0 0 "[ . 1 . 2]" 1 2081 1 139 VAL HA 1 139 VAL MG2 . . 3.250 2.376 2.285 2.434 . 0 0 "[ . 1 . 2]" 1 2082 1 91 TRP HA 1 124 ALA MB . . 3.660 3.651 3.560 3.661 0.001 6 0 "[ . 1 . 2]" 1 2083 1 71 TYR HE2 1 108 VAL MG2 . . 4.910 2.733 2.301 2.965 . 0 0 "[ . 1 . 2]" 1 2084 1 71 TYR HD2 1 108 VAL MG2 . . 4.930 4.781 4.424 4.930 . 0 0 "[ . 1 . 2]" 1 2085 1 108 VAL HA 1 108 VAL MG2 . . 3.310 2.381 2.281 2.433 . 0 0 "[ . 1 . 2]" 1 2086 1 92 THR MG 1 101 LYS H . . 5.500 5.216 4.992 5.406 . 0 0 "[ . 1 . 2]" 1 2087 1 92 THR HA 1 92 THR MG . . 3.140 2.266 2.110 2.401 . 0 0 "[ . 1 . 2]" 1 2088 1 52 THR HA 1 52 THR MG . . 3.060 2.265 2.129 2.404 . 0 0 "[ . 1 . 2]" 1 2089 1 92 THR MG 1 101 LYS HA . . 4.210 3.583 3.331 4.004 . 0 0 "[ . 1 . 2]" 1 2090 1 92 THR MG 1 101 LYS HE2 . . 4.630 3.370 2.340 4.241 . 0 0 "[ . 1 . 2]" 1 2091 1 24 VAL HA 1 24 VAL MG2 . . 3.320 2.311 2.298 2.333 . 0 0 "[ . 1 . 2]" 1 2092 1 91 TRP HA 1 91 TRP HE3 . . 4.000 2.450 2.328 2.564 . 0 0 "[ . 1 . 2]" 1 2093 1 111 MET HA 1 114 PHE QD . . 4.490 3.641 3.472 3.782 . 0 0 "[ . 1 . 2]" 1 2094 1 111 MET HA 1 114 PHE HB2 . . 4.150 3.370 3.148 3.610 . 0 0 "[ . 1 . 2]" 1 2095 1 111 MET HA 1 114 PHE HB3 . . 3.630 2.563 2.380 2.710 . 0 0 "[ . 1 . 2]" 1 2096 1 90 ASN HD22 1 108 VAL MG2 . . 4.660 4.304 3.446 4.622 . 0 0 "[ . 1 . 2]" 1 2097 1 90 ASN HB2 1 108 VAL MG2 . . 5.190 4.784 4.368 5.188 . 0 0 "[ . 1 . 2]" 1 2098 1 90 ASN HB3 1 108 VAL MG2 . . 4.360 3.760 3.351 4.162 . 0 0 "[ . 1 . 2]" 1 2099 1 35 TRP HE3 1 52 THR MG . . 4.860 4.354 4.193 4.642 . 0 0 "[ . 1 . 2]" 1 2100 1 35 TRP HH2 1 52 THR MG . . 5.430 5.122 4.947 5.305 . 0 0 "[ . 1 . 2]" 1 2101 1 25 ARG HD2 1 52 THR MG . . 4.410 4.082 3.673 4.410 0.000 14 0 "[ . 1 . 2]" 1 2102 1 23 TYR H 1 52 THR MG . . 5.500 5.468 5.339 5.504 0.004 18 0 "[ . 1 . 2]" 1 2103 1 35 TRP H 1 52 THR MG . . 5.500 5.242 4.904 5.487 . 0 0 "[ . 1 . 2]" 1 2104 1 25 ARG HB2 1 52 THR MG . . 5.120 4.494 4.089 4.767 . 0 0 "[ . 1 . 2]" 1 2105 1 49 VAL HB 1 52 THR MG . . 5.500 4.858 4.150 5.378 . 0 0 "[ . 1 . 2]" 1 2106 1 24 VAL MG2 1 27 VAL H . . 5.500 5.230 4.720 5.428 . 0 0 "[ . 1 . 2]" 1 2107 1 61 VAL MG1 1 131 GLU HA . . 4.360 2.885 2.636 3.179 . 0 0 "[ . 1 . 2]" 1 2108 1 58 GLU HA 1 61 VAL MG1 . . 4.150 3.927 3.753 4.149 . 0 0 "[ . 1 . 2]" 1 2109 1 61 VAL MG1 1 62 GLU H . . 4.150 3.942 3.875 4.035 . 0 0 "[ . 1 . 2]" 1 2110 1 22 ALA HA 1 25 ARG H . . 4.240 3.672 3.465 3.977 . 0 0 "[ . 1 . 2]" 1 2111 1 22 ALA HA 1 36 ALA MB . . 4.660 3.914 3.398 4.153 . 0 0 "[ . 1 . 2]" 1 2112 1 90 ASN H 1 121 THR MG . . 4.660 4.183 4.022 4.431 . 0 0 "[ . 1 . 2]" 1 2113 1 88 LEU H 1 121 THR MG . . 4.950 4.356 4.084 4.774 . 0 0 "[ . 1 . 2]" 1 2114 1 121 THR HA 1 121 THR MG . . 3.120 2.260 2.125 2.394 . 0 0 "[ . 1 . 2]" 1 2115 1 89 ILE HA 1 121 THR MG . . 4.660 4.014 3.768 4.272 . 0 0 "[ . 1 . 2]" 1 2116 1 121 THR MG 1 122 ILE HA . . 4.360 3.771 3.563 4.094 . 0 0 "[ . 1 . 2]" 1 2117 1 49 VAL MG2 1 50 ALA H . . 4.290 3.644 2.508 3.931 . 0 0 "[ . 1 . 2]" 1 2118 1 38 PHE QD 1 49 VAL MG2 . . 5.090 2.877 2.235 3.770 . 0 0 "[ . 1 . 2]" 1 2119 1 38 PHE QE 1 49 VAL MG2 . . 5.280 2.523 1.925 3.226 . 0 0 "[ . 1 . 2]" 1 2120 1 49 VAL HA 1 49 VAL MG2 . . 3.330 2.306 2.279 2.376 . 0 0 "[ . 1 . 2]" 1 2121 1 49 VAL MG2 1 50 ALA HA . . 5.500 5.224 4.020 5.525 0.025 19 0 "[ . 1 . 2]" 1 2122 1 74 CYS HB2 1 87 VAL MG2 . . 5.240 4.824 4.409 5.165 . 0 0 "[ . 1 . 2]" 1 2123 1 74 CYS HB3 1 87 VAL MG2 . . 5.240 3.831 3.553 4.073 . 0 0 "[ . 1 . 2]" 1 2124 1 87 VAL MG2 1 120 VAL HB . . 4.170 3.389 2.877 3.858 . 0 0 "[ . 1 . 2]" 1 2125 1 27 VAL MG1 1 28 THR HA . . 5.500 5.469 5.447 5.479 . 0 0 "[ . 1 . 2]" 1 2126 1 22 ALA HA 1 25 ARG HB2 . . 3.660 3.041 2.715 3.298 . 0 0 "[ . 1 . 2]" 1 2127 1 99 VAL MG1 1 100 ARG HA . . 4.800 3.825 3.635 3.941 . 0 0 "[ . 1 . 2]" 1 2128 1 87 VAL MG1 1 120 VAL H . . 4.890 4.041 3.837 4.229 . 0 0 "[ . 1 . 2]" 1 2129 1 74 CYS HB2 1 87 VAL MG1 . . 5.240 4.690 3.837 5.240 . 9 0 "[ . 1 . 2]" 1 2130 1 27 VAL H 1 27 VAL MG1 . . 3.330 2.374 2.076 2.542 . 0 0 "[ . 1 . 2]" 1 2131 1 27 VAL MG1 1 73 PHE QD . . 4.360 3.787 3.670 3.959 . 0 0 "[ . 1 . 2]" 1 2132 1 27 VAL MG1 1 86 PHE QD . . 4.490 3.399 3.335 3.479 . 0 0 "[ . 1 . 2]" 1 2133 1 27 VAL MG1 1 73 PHE QE . . 3.230 1.980 1.911 2.089 . 0 0 "[ . 1 . 2]" 1 2134 1 27 VAL MG1 1 73 PHE HZ . . 3.830 2.963 2.796 3.071 . 0 0 "[ . 1 . 2]" 1 2135 1 23 TYR QD 1 27 VAL MG1 . . 4.240 3.464 2.797 3.833 . 0 0 "[ . 1 . 2]" 1 2136 1 27 VAL HA 1 27 VAL MG1 . . 3.280 2.420 2.353 2.442 . 0 0 "[ . 1 . 2]" 1 2137 1 24 VAL HA 1 27 VAL MG1 . . 3.850 3.568 3.215 3.687 . 0 0 "[ . 1 . 2]" 1 2138 1 39 THR MG 1 41 GLU HA . . 5.030 4.245 4.140 4.404 . 0 0 "[ . 1 . 2]" 1 2139 1 28 THR MG 1 29 GLU H . . 3.660 2.823 2.526 3.026 . 0 0 "[ . 1 . 2]" 1 2140 1 28 THR MG 1 30 LYS H . . 3.780 1.914 1.873 2.065 . 0 0 "[ . 1 . 2]" 1 2141 1 96 VAL HA 1 96 VAL MG2 . . 3.280 2.401 2.307 2.455 . 0 0 "[ . 1 . 2]" 1 2142 1 97 ASN HB2 1 99 VAL MG1 . . 5.500 5.038 4.721 5.242 . 0 0 "[ . 1 . 2]" 1 2143 1 87 VAL H 1 87 VAL MG1 . . 4.240 3.872 3.843 3.895 . 0 0 "[ . 1 . 2]" 1 2144 1 74 CYS H 1 87 VAL MG1 . . 5.500 4.283 3.739 4.553 . 0 0 "[ . 1 . 2]" 1 2145 1 87 VAL MG1 1 88 LEU H . . 4.340 2.149 1.949 2.500 . 0 0 "[ . 1 . 2]" 1 2146 1 74 CYS HB3 1 87 VAL MG1 . . 5.240 4.592 4.156 4.878 . 0 0 "[ . 1 . 2]" 1 2147 1 87 VAL MG1 1 120 VAL HB . . 4.170 3.166 2.839 3.495 . 0 0 "[ . 1 . 2]" 1 2148 1 77 LYS HA 1 84 PRO HA . . 3.480 2.551 2.193 2.807 . 0 0 "[ . 1 . 2]" 1 2149 1 77 LYS HA 1 78 ASP HB2 . . 5.500 4.211 4.188 4.227 . 0 0 "[ . 1 . 2]" 1 2150 1 76 VAL HB 1 77 LYS HA . . 5.290 4.625 4.480 4.915 . 0 0 "[ . 1 . 2]" 1 2151 1 77 LYS HA 1 136 MET ME . . 5.500 4.673 4.287 4.980 . 0 0 "[ . 1 . 2]" 1 2152 1 77 LYS HA 1 85 LYS HG3 . . 4.580 4.051 3.696 4.362 . 0 0 "[ . 1 . 2]" 1 2153 1 76 VAL MG2 1 77 LYS HA . . 4.660 4.049 3.871 4.339 . 0 0 "[ . 1 . 2]" 1 2154 1 12 LEU HA 1 47 ILE HB . . 4.000 3.768 3.423 4.002 0.002 10 0 "[ . 1 . 2]" 1 2155 1 28 THR MG 1 29 GLU HB2 . . 5.500 5.095 4.232 5.371 . 0 0 "[ . 1 . 2]" 1 2156 1 28 THR MG 1 29 GLU HB3 . . 5.500 4.861 4.470 5.204 . 0 0 "[ . 1 . 2]" 1 2157 1 77 LYS HA 1 78 ASP HB3 . . 5.500 5.498 5.485 5.501 0.001 7 0 "[ . 1 . 2]" 1 2158 1 91 TRP HE3 1 125 ARG HA . . 5.100 4.341 4.109 4.778 . 0 0 "[ . 1 . 2]" 1 2159 1 125 ARG HA 1 125 ARG HE . . 5.500 4.930 3.848 5.501 0.001 13 0 "[ . 1 . 2]" 1 2160 1 91 TRP HA 1 125 ARG HA . . 4.890 3.883 3.671 4.215 . 0 0 "[ . 1 . 2]" 1 2161 1 93 GLY HA2 1 125 ARG HA . . 4.890 4.160 3.889 4.743 . 0 0 "[ . 1 . 2]" 1 2162 1 64 LEU HA 1 65 ASN HB2 . . 4.660 4.161 4.074 4.292 . 0 0 "[ . 1 . 2]" 1 2163 1 64 LEU HA 1 64 LEU MD1 . . 4.490 3.850 3.823 3.880 . 0 0 "[ . 1 . 2]" 1 2164 1 91 TRP HH2 1 126 ALA HA . . 4.070 2.887 2.600 3.063 . 0 0 "[ . 1 . 2]" 1 2165 1 91 TRP HH2 1 127 GLU HA . . 4.070 3.192 2.823 3.882 . 0 0 "[ . 1 . 2]" 1 2166 1 91 TRP HH2 1 130 VAL MG2 . . 4.630 3.982 3.732 4.480 . 0 0 "[ . 1 . 2]" 1 2167 1 91 TRP HH2 1 127 GLU HB2 . . 5.010 3.863 3.345 4.537 . 0 0 "[ . 1 . 2]" 1 2168 1 131 GLU HA 1 132 PRO HD3 . . 3.020 2.130 2.127 2.131 . 0 0 "[ . 1 . 2]" 1 2169 1 131 GLU HA 1 132 PRO HG3 . . 4.490 4.284 4.283 4.285 . 0 0 "[ . 1 . 2]" 1 2170 1 18 ALA HA 1 21 GLU H . . 4.000 3.673 3.507 3.852 . 0 0 "[ . 1 . 2]" 1 2171 1 17 PRO HB3 1 18 ALA HA . . 5.240 4.990 4.945 5.038 . 0 0 "[ . 1 . 2]" 1 2172 1 18 ALA HA 1 21 GLU HB3 . . 3.330 3.005 2.714 3.203 . 0 0 "[ . 1 . 2]" 1 2173 1 63 GLU HA 1 63 GLU HG3 . . 4.150 3.607 3.445 3.713 . 0 0 "[ . 1 . 2]" 1 2174 1 63 GLU HA 1 63 GLU HG2 . . 3.570 2.421 2.214 2.758 . 0 0 "[ . 1 . 2]" 1 2175 1 64 LEU HA 1 64 LEU HG . . 4.000 3.042 2.886 3.200 . 0 0 "[ . 1 . 2]" 1 2176 1 24 VAL H 1 27 VAL MG2 . . 4.660 4.050 3.944 4.151 . 0 0 "[ . 1 . 2]" 1 2177 1 27 VAL H 1 27 VAL MG2 . . 3.060 2.003 1.921 2.102 . 0 0 "[ . 1 . 2]" 1 2178 1 27 VAL MG2 1 28 THR H . . 3.720 2.413 2.314 2.461 . 0 0 "[ . 1 . 2]" 1 2179 1 27 VAL MG2 1 86 PHE QD . . 5.500 5.501 5.500 5.503 0.003 7 0 "[ . 1 . 2]" 1 2180 1 27 VAL MG2 1 73 PHE QE . . 4.370 4.208 4.184 4.230 . 0 0 "[ . 1 . 2]" 1 2181 1 23 TYR QD 1 27 VAL MG2 . . 4.330 4.019 3.533 4.201 . 0 0 "[ . 1 . 2]" 1 2182 1 27 VAL MG2 1 28 THR HG1 . . 3.610 2.460 1.993 2.898 . 0 0 "[ . 1 . 2]" 1 2183 1 27 VAL HA 1 27 VAL MG2 . . 3.480 3.202 3.200 3.204 . 0 0 "[ . 1 . 2]" 1 2184 1 27 VAL MG2 1 28 THR HA . . 4.150 3.394 3.280 3.472 . 0 0 "[ . 1 . 2]" 1 2185 1 24 VAL HA 1 27 VAL MG2 . . 2.870 1.963 1.921 2.010 . 0 0 "[ . 1 . 2]" 1 2186 1 24 VAL HB 1 27 VAL MG2 . . 4.610 4.203 3.945 4.291 . 0 0 "[ . 1 . 2]" 1 2187 1 26 VAL HB 1 27 VAL MG2 . . 5.140 4.177 4.106 4.258 . 0 0 "[ . 1 . 2]" 1 2188 1 17 PRO HB2 1 18 ALA HA . . 4.890 3.890 3.844 3.956 . 0 0 "[ . 1 . 2]" 1 2189 1 9 ALA MB 1 107 HIS HD2 . . 4.660 3.959 3.531 4.355 . 0 0 "[ . 1 . 2]" 1 2190 1 8 MET HA 1 9 ALA MB . . 4.660 4.216 3.858 4.657 . 0 0 "[ . 1 . 2]" 1 2191 1 9 ALA MB 1 10 ALA HA . . 4.860 4.358 4.181 4.485 . 0 0 "[ . 1 . 2]" 1 2192 1 9 ALA MB 1 110 THR HB . . 5.440 4.435 3.902 5.305 . 0 0 "[ . 1 . 2]" 1 2193 1 27 VAL MG2 1 73 PHE QD . . 5.500 5.499 5.485 5.502 0.002 18 0 "[ . 1 . 2]" 1 2194 1 103 ALA HA 1 105 ALA H . . 4.890 4.135 3.948 4.182 . 0 0 "[ . 1 . 2]" 1 2195 1 112 ALA HA 1 115 LEU MD1 . . 4.890 4.216 3.907 4.521 . 0 0 "[ . 1 . 2]" 1 2196 1 112 ALA HA 1 114 PHE H . . 4.890 4.503 4.299 4.763 . 0 0 "[ . 1 . 2]" 1 2197 1 112 ALA HA 1 115 LEU HB2 . . 4.000 3.628 3.410 3.909 . 0 0 "[ . 1 . 2]" 1 2198 1 61 VAL H 1 61 VAL MG2 . . 3.050 2.106 1.974 2.250 . 0 0 "[ . 1 . 2]" 1 2199 1 61 VAL MG2 1 131 GLU HA . . 4.360 3.893 3.731 4.177 . 0 0 "[ . 1 . 2]" 1 2200 1 61 VAL MG2 1 132 PRO HD3 . . 4.130 3.538 3.275 3.827 . 0 0 "[ . 1 . 2]" 1 2201 1 61 VAL MG2 1 132 PRO HD2 . . 5.500 4.871 4.661 5.105 . 0 0 "[ . 1 . 2]" 1 2202 1 61 VAL HA 1 61 VAL MG2 . . 3.430 3.194 3.186 3.203 . 0 0 "[ . 1 . 2]" 1 2203 1 35 TRP HH2 1 51 GLY HA3 . . 4.200 2.877 2.537 3.578 . 0 0 "[ . 1 . 2]" 1 2204 1 35 TRP HH2 1 63 GLU HG3 . . 3.660 2.218 2.001 2.626 . 0 0 "[ . 1 . 2]" 1 2205 1 35 TRP HH2 1 63 GLU HB3 . . 4.660 4.394 4.179 4.656 . 0 0 "[ . 1 . 2]" 1 2206 1 35 TRP HH2 1 37 LEU HB2 . . 5.340 4.368 4.161 4.606 . 0 0 "[ . 1 . 2]" 1 2207 1 35 TRP HH2 1 63 GLU HB2 . . 5.500 4.061 3.786 4.403 . 0 0 "[ . 1 . 2]" 1 2208 1 118 ALA MB 1 119 HIS H . . 3.560 3.412 3.179 3.458 . 0 0 "[ . 1 . 2]" 1 2209 1 118 ALA MB 1 120 VAL H . . 3.620 3.192 2.987 3.298 . 0 0 "[ . 1 . 2]" 1 2210 1 73 PHE QE 1 118 ALA MB . . 3.460 2.822 2.537 3.112 . 0 0 "[ . 1 . 2]" 1 2211 1 88 LEU HA 1 118 ALA MB . . 4.490 3.883 3.737 3.974 . 0 0 "[ . 1 . 2]" 1 2212 1 118 ALA MB 1 121 THR HA . . 4.360 3.795 3.480 4.048 . 0 0 "[ . 1 . 2]" 1 2213 1 118 ALA MB 1 119 HIS HA . . 4.910 4.460 4.356 4.511 . 0 0 "[ . 1 . 2]" 1 2214 1 118 ALA MB 1 120 VAL HA . . 5.390 4.670 4.552 4.784 . 0 0 "[ . 1 . 2]" 1 2215 1 118 ALA MB 1 121 THR H . . 5.480 4.708 4.228 5.010 . 0 0 "[ . 1 . 2]" 1 2216 1 73 PHE QD 1 118 ALA MB . . 4.360 4.033 3.780 4.276 . 0 0 "[ . 1 . 2]" 1 2217 1 73 PHE HZ 1 118 ALA MB . . 4.890 4.556 4.342 4.757 . 0 0 "[ . 1 . 2]" 1 2218 1 86 PHE HB3 1 118 ALA MB . . 4.580 4.085 3.700 4.231 . 0 0 "[ . 1 . 2]" 1 2219 1 49 VAL HA 1 50 ALA MB . . 4.240 3.850 3.812 3.920 . 0 0 "[ . 1 . 2]" 1 2220 1 50 ALA MB 1 70 MET HB3 . . 5.160 4.219 3.942 4.602 . 0 0 "[ . 1 . 2]" 1 2221 1 50 ALA MB 1 70 MET HG2 . . 5.500 4.435 4.131 4.987 . 0 0 "[ . 1 . 2]" 1 2222 1 50 ALA MB 1 63 GLU HB3 . . 4.660 4.285 3.946 4.603 . 0 0 "[ . 1 . 2]" 1 2223 1 39 THR HB 1 70 MET HA . . 4.490 3.884 3.515 4.018 . 0 0 "[ . 1 . 2]" 1 2224 1 70 MET HA 1 70 MET HG3 . . 4.240 3.131 3.058 3.213 . 0 0 "[ . 1 . 2]" 1 2225 1 70 MET HA 1 70 MET HG2 . . 3.980 2.727 2.667 2.737 . 0 0 "[ . 1 . 2]" 1 2226 1 37 LEU H 1 50 ALA MB . . 4.660 4.199 4.065 4.350 . 0 0 "[ . 1 . 2]" 1 2227 1 50 ALA H 1 50 ALA MB . . 3.120 2.347 2.069 2.487 . 0 0 "[ . 1 . 2]" 1 2228 1 39 THR H 1 50 ALA MB . . 4.150 2.603 2.307 3.294 . 0 0 "[ . 1 . 2]" 1 2229 1 35 TRP HZ3 1 50 ALA MB . . 4.890 4.497 4.146 4.740 . 0 0 "[ . 1 . 2]" 1 2230 1 38 PHE HA 1 50 ALA MB . . 4.000 2.777 2.434 3.243 . 0 0 "[ . 1 . 2]" 1 2231 1 50 ALA MB 1 51 GLY HA2 . . 5.140 4.375 4.326 4.444 . 0 0 "[ . 1 . 2]" 1 2232 1 50 ALA MB 1 51 GLY HA3 . . 5.310 3.731 3.673 3.822 . 0 0 "[ . 1 . 2]" 1 2233 1 38 PHE HB2 1 50 ALA MB . . 5.500 5.075 4.720 5.500 0.000 7 0 "[ . 1 . 2]" 1 2234 1 37 LEU HB3 1 50 ALA MB . . 3.390 2.015 1.894 2.172 . 0 0 "[ . 1 . 2]" 1 2235 1 76 VAL MG2 1 87 VAL HB . . 4.490 4.372 4.191 4.487 . 0 0 "[ . 1 . 2]" 1 2236 1 76 VAL MG2 1 77 LYS H . . 4.070 3.403 3.152 3.746 . 0 0 "[ . 1 . 2]" 1 2237 1 76 VAL MG2 1 86 PHE HA . . 5.240 4.882 4.460 5.185 . 0 0 "[ . 1 . 2]" 1 2238 1 76 VAL MG2 1 136 MET HA . . 4.360 3.542 3.325 3.756 . 0 0 "[ . 1 . 2]" 1 2239 1 76 VAL MG2 1 78 ASP HA . . 4.630 4.271 4.008 4.385 . 0 0 "[ . 1 . 2]" 1 2240 1 76 VAL MG2 1 136 MET HG3 . . 5.020 4.316 4.122 4.570 . 0 0 "[ . 1 . 2]" 1 2241 1 76 VAL MG2 1 139 VAL HB . . 4.490 3.501 3.344 3.772 . 0 0 "[ . 1 . 2]" 1 2242 1 76 VAL MG2 1 135 ILE HB . . 5.240 4.955 4.752 5.215 . 0 0 "[ . 1 . 2]" 1 2243 1 139 VAL HB 1 140 ALA HA . . 4.890 4.265 4.221 4.326 . 0 0 "[ . 1 . 2]" 1 2244 1 80 ASN HD21 1 140 ALA MB . . 4.240 3.872 3.456 4.149 . 0 0 "[ . 1 . 2]" 1 2245 1 80 ASN H 1 140 ALA MB . . 4.890 4.414 4.168 4.650 . 0 0 "[ . 1 . 2]" 1 2246 1 140 ALA H 1 140 ALA MB . . 2.780 2.227 2.140 2.261 . 0 0 "[ . 1 . 2]" 1 2247 1 140 ALA MB 1 141 SER HA . . 4.490 3.825 3.759 3.891 . 0 0 "[ . 1 . 2]" 1 2248 1 79 PRO HD3 1 140 ALA MB . . 4.240 2.903 2.463 3.285 . 0 0 "[ . 1 . 2]" 1 2249 1 79 PRO HD2 1 140 ALA MB . . 3.660 3.294 2.948 3.655 . 0 0 "[ . 1 . 2]" 1 2250 1 88 LEU HA 1 89 ILE HB . . 4.890 4.634 4.581 4.670 . 0 0 "[ . 1 . 2]" 1 2251 1 79 PRO HD3 1 140 ALA HA . . 4.660 2.735 2.467 3.061 . 0 0 "[ . 1 . 2]" 1 2252 1 80 ASN HD21 1 140 ALA HA . . 4.890 4.404 4.115 4.888 . 0 0 "[ . 1 . 2]" 1 2253 1 86 PHE H 1 118 ALA HA . . 4.890 4.198 3.799 4.512 . 0 0 "[ . 1 . 2]" 1 2254 1 86 PHE QD 1 118 ALA HA . . 4.490 4.169 3.764 4.431 . 0 0 "[ . 1 . 2]" 1 2255 1 73 PHE QE 1 118 ALA HA . . 4.490 3.204 3.008 3.364 . 0 0 "[ . 1 . 2]" 1 2256 1 86 PHE HB3 1 118 ALA HA . . 3.260 3.110 2.893 3.198 . 0 0 "[ . 1 . 2]" 1 2257 1 86 PHE HB2 1 118 ALA HA . . 3.700 2.443 2.027 2.694 . 0 0 "[ . 1 . 2]" 1 2258 1 38 PHE H 1 70 MET ME . . 4.890 3.659 3.227 3.956 . 0 0 "[ . 1 . 2]" 1 2259 1 39 THR H 1 70 MET ME . . 4.870 3.929 3.779 4.064 . 0 0 "[ . 1 . 2]" 1 2260 1 70 MET ME 1 91 TRP HD1 . . 4.950 4.583 4.413 4.732 . 0 0 "[ . 1 . 2]" 1 2261 1 70 MET HA 1 70 MET ME . . 4.150 4.006 3.889 4.149 . 0 0 "[ . 1 . 2]" 1 2262 1 39 THR HB 1 70 MET ME . . 3.200 1.936 1.898 1.990 . 0 0 "[ . 1 . 2]" 1 2263 1 64 LEU HA 1 70 MET ME . . 3.830 3.620 3.251 3.829 . 0 0 "[ . 1 . 2]" 1 2264 1 68 LYS HE2 1 70 MET ME . . 5.500 4.984 4.517 5.411 . 0 0 "[ . 1 . 2]" 1 2265 1 37 LEU MD1 1 70 MET ME . . 3.790 3.509 1.860 3.786 . 0 0 "[ . 1 . 2]" 1 2266 1 103 ALA H 1 103 ALA MB . . 2.650 2.197 2.086 2.308 . 0 0 "[ . 1 . 2]" 1 2267 1 91 TRP HE3 1 130 VAL MG2 . . 4.150 3.353 3.046 3.685 . 0 0 "[ . 1 . 2]" 1 2268 1 91 TRP HZ3 1 130 VAL MG2 . . 3.150 2.499 2.032 3.038 . 0 0 "[ . 1 . 2]" 1 2269 1 130 VAL HA 1 130 VAL MG2 . . 3.630 3.202 3.186 3.204 . 0 0 "[ . 1 . 2]" 1 2270 1 128 GLU HA 1 130 VAL MG2 . . 4.890 4.269 4.246 4.656 . 0 0 "[ . 1 . 2]" 1 2271 1 127 GLU HA 1 130 VAL MG2 . . 3.090 1.902 1.898 1.950 . 0 0 "[ . 1 . 2]" 1 2272 1 61 VAL HA 1 130 VAL MG2 . . 4.490 3.625 3.331 3.918 . 0 0 "[ . 1 . 2]" 1 2273 1 129 ASP HB2 1 130 VAL MG2 . . 4.490 4.309 4.228 4.350 . 0 0 "[ . 1 . 2]" 1 2274 1 127 GLU HB2 1 130 VAL MG2 . . 4.870 4.275 4.260 4.312 . 0 0 "[ . 1 . 2]" 1 2275 1 61 VAL HB 1 130 VAL MG2 . . 3.780 2.921 2.534 3.379 . 0 0 "[ . 1 . 2]" 1 2276 1 124 ALA MB 1 130 VAL MG2 . . 3.880 3.701 3.425 3.751 . 0 0 "[ . 1 . 2]" 1 2277 1 73 PHE QD 1 88 LEU HA . . 4.240 2.811 2.506 3.021 . 0 0 "[ . 1 . 2]" 1 2278 1 22 ALA MB 1 37 LEU H . . 5.500 4.681 4.276 4.907 . 0 0 "[ . 1 . 2]" 1 2279 1 22 ALA MB 1 38 PHE QE . . 3.460 1.979 1.881 2.273 . 0 0 "[ . 1 . 2]" 1 2280 1 22 ALA MB 1 38 PHE HZ . . 3.460 2.044 1.914 2.331 . 0 0 "[ . 1 . 2]" 1 2281 1 22 ALA MB 1 23 TYR HB2 . . 4.890 4.201 4.086 4.262 . 0 0 "[ . 1 . 2]" 1 2282 1 15 ASN HA 1 18 ALA MB . . 4.360 2.981 2.777 3.205 . 0 0 "[ . 1 . 2]" 1 2283 1 15 ASN HB2 1 18 ALA MB . . 4.150 3.184 2.512 3.627 . 0 0 "[ . 1 . 2]" 1 2284 1 40 TYR QD 1 45 ASN HA . . 3.330 2.691 2.239 3.023 . 0 0 "[ . 1 . 2]" 1 2285 1 40 TYR QE 1 45 ASN HA . . 3.940 2.984 2.209 3.608 . 0 0 "[ . 1 . 2]" 1 2286 1 71 TYR HD2 1 90 ASN HA . . 4.890 3.429 3.096 3.719 . 0 0 "[ . 1 . 2]" 1 2287 1 90 ASN HA 1 91 TRP HB3 . . 4.890 4.591 4.535 4.628 . 0 0 "[ . 1 . 2]" 1 2288 1 88 LEU MD2 1 90 ASN HA . . 5.500 5.470 5.309 5.503 0.003 16 0 "[ . 1 . 2]" 1 2289 1 36 ALA MB 1 37 LEU HA . . 4.660 4.237 4.208 4.250 . 0 0 "[ . 1 . 2]" 1 2290 1 85 LYS HA 1 86 PHE H . . 3.330 2.319 2.151 2.546 . 0 0 "[ . 1 . 2]" 1 2291 1 85 LYS HA 1 85 LYS HG2 . . 3.940 2.535 2.347 2.647 . 0 0 "[ . 1 . 2]" 1 2292 1 85 LYS HA 1 86 PHE QD . . 4.660 4.396 4.220 4.513 . 0 0 "[ . 1 . 2]" 1 2293 1 85 LYS HA 1 119 HIS HB2 . . 4.890 4.393 3.701 4.889 . 0 0 "[ . 1 . 2]" 1 2294 1 39 THR MG 1 70 MET ME . . 3.390 2.438 1.952 2.689 . 0 0 "[ . 1 . 2]" 1 2295 1 39 THR MG 1 50 ALA H . . 4.900 4.215 3.794 4.476 . 0 0 "[ . 1 . 2]" 1 2296 1 39 THR MG 1 40 TYR HA . . 4.890 4.242 4.145 4.298 . 0 0 "[ . 1 . 2]" 1 2297 1 39 THR MG 1 47 ILE HA . . 5.170 5.124 4.910 5.171 0.001 14 0 "[ . 1 . 2]" 1 2298 1 39 THR MG 1 70 MET HG2 . . 4.240 3.750 3.467 3.947 . 0 0 "[ . 1 . 2]" 1 2299 1 39 THR MG 1 47 ILE MG . . 4.630 4.593 4.452 4.631 0.001 18 0 "[ . 1 . 2]" 1 2300 1 12 LEU MD1 1 47 ILE MG . . 4.660 3.773 2.894 4.228 . 0 0 "[ . 1 . 2]" 1 2301 1 90 ASN H 1 123 ASN HA . . 3.940 2.688 2.535 2.841 . 0 0 "[ . 1 . 2]" 1 2302 1 90 ASN HD21 1 123 ASN HA . . 4.660 3.401 2.799 3.796 . 0 0 "[ . 1 . 2]" 1 2303 1 90 ASN HB2 1 123 ASN HA . . 3.560 2.223 2.000 2.456 . 0 0 "[ . 1 . 2]" 1 2304 1 105 ALA MB 1 106 SER H . . 3.660 2.724 2.607 2.860 . 0 0 "[ . 1 . 2]" 1 2305 1 105 ALA MB 1 106 SER HA . . 4.660 3.756 3.672 3.863 . 0 0 "[ . 1 . 2]" 1 2306 1 102 GLY HA2 1 105 ALA MB . . 3.770 2.732 2.565 2.901 . 0 0 "[ . 1 . 2]" 1 2307 1 38 PHE HA 1 39 THR MG . . 4.490 3.862 3.811 3.932 . 0 0 "[ . 1 . 2]" 1 2308 1 39 THR MG 1 40 TYR HB2 . . 4.990 4.438 4.384 4.539 . 0 0 "[ . 1 . 2]" 1 2309 1 39 THR MG 1 70 MET HG3 . . 5.500 5.114 4.822 5.343 . 0 0 "[ . 1 . 2]" 1 2310 1 47 ILE MG 1 71 TYR HE1 . . 4.900 3.818 3.299 4.437 . 0 0 "[ . 1 . 2]" 1 2311 1 38 PHE QD 1 47 ILE MG . . 3.700 3.392 3.096 3.682 . 0 0 "[ . 1 . 2]" 1 2312 1 38 PHE HA 1 47 ILE MG . . 4.490 3.721 3.526 3.973 . 0 0 "[ . 1 . 2]" 1 2313 1 47 ILE HA 1 47 ILE MG . . 3.430 2.287 2.247 2.369 . 0 0 "[ . 1 . 2]" 1 2314 1 12 LEU HA 1 47 ILE MG . . 5.190 4.837 4.419 5.029 . 0 0 "[ . 1 . 2]" 1 2315 1 38 PHE HB3 1 47 ILE MG . . 3.260 2.195 2.027 2.479 . 0 0 "[ . 1 . 2]" 1 2316 1 47 ILE HG13 1 47 ILE MG . . 3.350 2.282 2.235 2.344 . 0 0 "[ . 1 . 2]" 1 2317 1 12 LEU HG 1 47 ILE MG . . 3.670 3.510 3.001 3.669 . 0 0 "[ . 1 . 2]" 1 2318 1 19 LEU MD1 1 47 ILE MG . . 3.370 3.104 2.687 3.365 . 0 0 "[ . 1 . 2]" 1 2319 1 78 ASP HA 1 80 ASN H . . 4.660 4.593 4.483 4.607 . 0 0 "[ . 1 . 2]" 1 2320 1 109 SER HA 1 112 ALA MB . . 3.200 2.901 2.585 3.095 . 0 0 "[ . 1 . 2]" 1 2321 1 112 ALA MB 1 113 SER HA . . 4.490 3.802 3.758 3.840 . 0 0 "[ . 1 . 2]" 1 2322 1 135 ILE MG 1 139 VAL H . . 4.890 3.989 3.801 4.200 . 0 0 "[ . 1 . 2]" 1 2323 1 135 ILE MG 1 138 LYS H . . 4.890 4.263 4.162 4.470 . 0 0 "[ . 1 . 2]" 1 2324 1 135 ILE MG 1 136 MET HA . . 3.940 3.507 3.429 3.594 . 0 0 "[ . 1 . 2]" 1 2325 1 132 PRO HA 1 135 ILE MG . . 5.050 4.699 4.613 4.927 . 0 0 "[ . 1 . 2]" 1 2326 1 135 ILE HA 1 135 ILE MG . . 3.200 2.310 2.295 2.343 . 0 0 "[ . 1 . 2]" 1 2327 1 135 ILE HG13 1 135 ILE MG . . 3.560 3.151 3.058 3.186 . 0 0 "[ . 1 . 2]" 1 2328 1 135 ILE MG 1 136 MET HG2 . . 4.660 3.855 3.695 3.930 . 0 0 "[ . 1 . 2]" 1 2329 1 122 ILE HG13 1 135 ILE MG . . 5.500 4.673 4.474 5.056 . 0 0 "[ . 1 . 2]" 1 2330 1 87 VAL HB 1 135 ILE MG . . 4.070 3.256 2.858 3.464 . 0 0 "[ . 1 . 2]" 1 2331 1 78 ASP HA 1 85 LYS HB2 . . 5.500 4.870 4.039 5.433 . 0 0 "[ . 1 . 2]" 1 2332 1 78 ASP HA 1 136 MET ME . . 4.000 3.027 2.816 3.222 . 0 0 "[ . 1 . 2]" 1 2333 1 78 ASP HA 1 85 LYS HG3 . . 4.660 3.846 3.272 4.249 . 0 0 "[ . 1 . 2]" 1 2334 1 135 ILE MG 1 136 MET HG3 . . 5.190 5.140 4.955 5.190 0.000 8 0 "[ . 1 . 2]" 1 2335 1 135 ILE MG 1 138 LYS HB2 . . 4.240 3.719 3.571 4.049 . 0 0 "[ . 1 . 2]" 1 2336 1 135 ILE MG 1 136 MET ME . . 4.630 4.037 3.923 4.275 . 0 0 "[ . 1 . 2]" 1 2337 1 49 VAL MG1 1 50 ALA HA . . 5.500 3.777 3.514 4.461 . 0 0 "[ . 1 . 2]" 1 2338 1 60 MET ME 1 61 VAL H . . 3.930 3.682 3.222 3.926 . 0 0 "[ . 1 . 2]" 1 2339 1 60 MET H 1 60 MET ME . . 4.410 4.316 4.128 4.410 . 0 0 "[ . 1 . 2]" 1 2340 1 57 LEU HA 1 60 MET ME . . 3.250 2.645 2.371 2.880 . 0 0 "[ . 1 . 2]" 1 2341 1 35 TRP HB2 1 60 MET ME . . 4.690 3.945 3.742 4.168 . 0 0 "[ . 1 . 2]" 1 2342 1 35 TRP HB3 1 60 MET ME . . 4.690 3.835 3.578 4.059 . 0 0 "[ . 1 . 2]" 1 2343 1 60 MET HB2 1 60 MET ME . . 3.480 3.092 2.956 3.264 . 0 0 "[ . 1 . 2]" 1 2344 1 60 MET ME 1 64 LEU MD1 . . 4.830 3.627 3.281 3.896 . 0 0 "[ . 1 . 2]" 1 2345 1 60 MET ME 1 64 LEU MD2 . . 4.830 4.617 4.171 4.825 . 0 0 "[ . 1 . 2]" 1 2346 1 10 ALA HA 1 40 TYR QE . . 4.660 3.964 3.443 4.164 . 0 0 "[ . 1 . 2]" 1 2347 1 9 ALA HA 1 107 HIS HD2 . . 4.000 2.701 2.448 3.134 . 0 0 "[ . 1 . 2]" 1 2348 1 72 ALA H 1 89 ILE MG . . 4.660 3.921 3.778 4.013 . 0 0 "[ . 1 . 2]" 1 2349 1 89 ILE MG 1 122 ILE H . . 4.890 4.473 4.248 4.618 . 0 0 "[ . 1 . 2]" 1 2350 1 89 ILE MG 1 91 TRP HE3 . . 3.880 3.486 3.275 3.699 . 0 0 "[ . 1 . 2]" 1 2351 1 71 TYR HA 1 89 ILE MG . . 4.950 4.800 4.711 4.922 . 0 0 "[ . 1 . 2]" 1 2352 1 89 ILE MG 1 123 ASN HA . . 4.660 3.789 3.662 3.929 . 0 0 "[ . 1 . 2]" 1 2353 1 89 ILE MG 1 91 TRP HA . . 4.000 3.201 3.125 3.253 . 0 0 "[ . 1 . 2]" 1 2354 1 89 ILE HA 1 89 ILE MG . . 3.230 2.310 2.253 2.367 . 0 0 "[ . 1 . 2]" 1 2355 1 89 ILE MG 1 91 TRP HB3 . . 4.750 4.462 4.330 4.615 . 0 0 "[ . 1 . 2]" 1 2356 1 89 ILE MG 1 91 TRP HB2 . . 3.510 3.260 3.114 3.422 . 0 0 "[ . 1 . 2]" 1 2357 1 89 ILE MG 1 130 VAL HB . . 4.660 3.351 3.147 3.517 . 0 0 "[ . 1 . 2]" 1 2358 1 89 ILE HG13 1 89 ILE MG . . 3.510 3.114 2.983 3.183 . 0 0 "[ . 1 . 2]" 1 2359 1 64 LEU MD1 1 89 ILE MG . . 4.240 3.601 3.326 3.789 . 0 0 "[ . 1 . 2]" 1 2360 1 64 LEU MD2 1 89 ILE MG . . 4.240 4.075 3.923 4.239 . 0 0 "[ . 1 . 2]" 1 2361 1 10 ALA MB 1 107 HIS HD2 . . 4.660 4.468 3.756 4.661 0.001 10 0 "[ . 1 . 2]" 1 2362 1 9 ALA HA 1 10 ALA MB . . 4.490 4.093 3.972 4.245 . 0 0 "[ . 1 . 2]" 1 2363 1 10 ALA MB 1 110 THR HB . . 3.580 2.524 1.953 3.076 . 0 0 "[ . 1 . 2]" 1 2364 1 10 ALA MB 1 107 HIS HB3 . . 3.700 2.429 2.014 2.942 . 0 0 "[ . 1 . 2]" 1 2365 1 9 ALA MB 1 10 ALA MB . . 4.240 3.799 3.505 4.126 . 0 0 "[ . 1 . 2]" 1 2366 1 10 ALA MB 1 47 ILE HG13 . . 3.550 2.766 2.275 3.293 . 0 0 "[ . 1 . 2]" 1 2367 1 10 ALA MB 1 110 THR MG . . 3.710 2.587 1.880 3.232 . 0 0 "[ . 1 . 2]" 1 2368 1 10 ALA MB 1 107 HIS HB2 . . 4.490 3.880 3.405 4.325 . 0 0 "[ . 1 . 2]" 1 2369 1 10 ALA MB 1 111 MET H . . 5.390 3.673 3.075 4.344 . 0 0 "[ . 1 . 2]" 1 2370 1 10 ALA MB 1 12 LEU MD2 . . 4.510 3.980 3.527 4.365 . 0 0 "[ . 1 . 2]" 1 2371 1 10 ALA MB 1 47 ILE MD . . 3.660 3.313 2.660 3.659 . 0 0 "[ . 1 . 2]" 1 2372 1 35 TRP HZ3 1 37 LEU HB2 . . 3.560 2.114 2.002 2.288 . 0 0 "[ . 1 . 2]" 1 2373 1 35 TRP HZ3 1 37 LEU MD2 . . 4.950 3.479 2.919 4.564 . 0 0 "[ . 1 . 2]" 1 2374 1 15 ASN HA 1 17 PRO HD2 . . 4.240 3.489 3.349 3.666 . 0 0 "[ . 1 . 2]" 1 2375 1 14 ARG HB2 1 15 ASN HA . . 5.500 4.534 4.354 4.656 . 0 0 "[ . 1 . 2]" 1 2376 1 14 ARG HB3 1 15 ASN HA . . 5.500 4.519 4.381 4.732 . 0 0 "[ . 1 . 2]" 1 2377 1 15 ASN HA 1 19 LEU HG . . 5.500 4.675 4.166 4.817 . 0 0 "[ . 1 . 2]" 1 2378 1 115 LEU HA 1 115 LEU HG . . 4.070 3.145 3.038 3.254 . 0 0 "[ . 1 . 2]" 1 2379 1 122 ILE MG 1 123 ASN HA . . 4.360 3.780 3.653 3.852 . 0 0 "[ . 1 . 2]" 1 2380 1 122 ILE MG 1 129 ASP HA . . 5.500 5.497 5.475 5.501 0.001 18 0 "[ . 1 . 2]" 1 2381 1 122 ILE HA 1 122 ILE MG . . 3.190 2.333 2.291 2.392 . 0 0 "[ . 1 . 2]" 1 2382 1 122 ILE MG 1 124 ALA H . . 4.150 3.118 2.849 3.396 . 0 0 "[ . 1 . 2]" 1 2383 1 61 VAL MG1 1 132 PRO HD3 . . 4.130 3.398 3.123 3.859 . 0 0 "[ . 1 . 2]" 1 2384 1 131 GLU HA 1 132 PRO HD2 . . 3.190 2.796 2.792 2.797 . 0 0 "[ . 1 . 2]" 1 2385 1 131 GLU HB3 1 132 PRO HD2 . . 3.910 2.400 2.397 2.416 . 0 0 "[ . 1 . 2]" 1 2386 1 61 VAL MG1 1 132 PRO HD2 . . 5.500 4.779 4.507 5.200 . 0 0 "[ . 1 . 2]" 1 2387 1 78 ASP HA 1 79 PRO HD3 . . 3.000 2.253 2.199 2.267 . 0 0 "[ . 1 . 2]" 1 2388 1 78 ASP HA 1 79 PRO HD2 . . 3.160 2.660 2.645 2.718 . 0 0 "[ . 1 . 2]" 1 2389 1 79 PRO HD2 1 140 ALA HA . . 3.520 2.467 2.311 2.646 . 0 0 "[ . 1 . 2]" 1 2390 1 40 TYR QE 1 104 CYS HA . . 5.500 4.917 4.511 5.244 . 0 0 "[ . 1 . 2]" 1 2391 1 40 TYR QE 1 107 HIS HB3 . . 5.500 4.484 4.311 4.909 . 0 0 "[ . 1 . 2]" 1 2392 1 11 ASN H 1 40 TYR QE . . 5.490 5.176 4.598 5.491 0.001 20 0 "[ . 1 . 2]" 1 2393 1 40 TYR QE 1 69 VAL H . . 5.500 4.415 3.871 4.958 . 0 0 "[ . 1 . 2]" 1 2394 1 40 TYR QE 1 69 VAL HB . . 3.330 2.501 2.126 2.999 . 0 0 "[ . 1 . 2]" 1 2395 1 40 TYR QE 1 47 ILE HG12 . . 4.890 3.881 3.610 4.238 . 0 0 "[ . 1 . 2]" 1 2396 1 10 ALA MB 1 40 TYR QE . . 4.240 4.070 3.313 4.240 . 10 0 "[ . 1 . 2]" 1 2397 1 91 TRP HB2 1 91 TRP HE3 . . 4.000 2.859 2.804 2.924 . 0 0 "[ . 1 . 2]" 1 2398 1 17 PRO HB2 1 17 PRO HD2 . . 3.710 3.020 2.972 3.079 . 0 0 "[ . 1 . 2]" 1 2399 1 83 LEU HA 1 84 PRO HD3 . . 3.050 2.212 1.999 2.341 . 0 0 "[ . 1 . 2]" 1 2400 1 83 LEU HA 1 84 PRO HD2 . . 3.230 2.482 2.348 2.713 . 0 0 "[ . 1 . 2]" 1 2401 1 38 PHE H 1 72 ALA HA . . 4.240 4.202 4.080 4.241 0.001 4 0 "[ . 1 . 2]" 1 2402 1 38 PHE QD 1 72 ALA HA . . 4.660 4.267 3.787 4.629 . 0 0 "[ . 1 . 2]" 1 2403 1 37 LEU HA 1 72 ALA HA . . 3.350 2.799 2.609 2.950 . 0 0 "[ . 1 . 2]" 1 2404 1 16 GLY HA2 1 19 LEU HB3 . . 5.190 5.022 4.688 5.201 0.011 17 0 "[ . 1 . 2]" 1 2405 1 13 SER HA 1 16 GLY HA2 . . 4.150 3.954 3.862 4.152 0.002 17 0 "[ . 1 . 2]" 1 2406 1 16 GLY HA3 1 19 LEU MD1 . . 4.490 4.322 4.007 4.493 0.003 17 0 "[ . 1 . 2]" 1 2407 1 13 SER HA 1 16 GLY HA3 . . 4.240 3.706 3.281 3.871 . 0 0 "[ . 1 . 2]" 1 2408 1 16 GLY HA3 1 17 PRO HB2 . . 5.500 5.310 5.266 5.341 . 0 0 "[ . 1 . 2]" 1 2409 1 16 GLY HA3 1 19 LEU HB2 . . 5.500 4.933 4.635 5.124 . 0 0 "[ . 1 . 2]" 1 2410 1 16 GLY HA2 1 19 LEU HG . . 4.950 4.658 4.138 4.823 . 0 0 "[ . 1 . 2]" 1 2411 1 35 TRP HE3 1 36 ALA HA . . 4.000 2.800 2.585 2.898 . 0 0 "[ . 1 . 2]" 1 2412 1 35 TRP HE3 1 52 THR HA . . 4.490 3.617 3.353 3.918 . 0 0 "[ . 1 . 2]" 1 2413 1 35 TRP HE3 1 37 LEU HB2 . . 3.700 3.207 3.058 3.448 . 0 0 "[ . 1 . 2]" 1 2414 1 77 LYS H 1 136 MET ME . . 4.160 3.656 3.181 4.159 . 0 0 "[ . 1 . 2]" 1 2415 1 136 MET HA 1 136 MET ME . . 3.220 2.070 1.978 2.202 . 0 0 "[ . 1 . 2]" 1 2416 1 79 PRO HD3 1 136 MET ME . . 3.120 3.086 2.944 3.120 0.000 3 0 "[ . 1 . 2]" 1 2417 1 136 MET ME 1 140 ALA MB . . 4.240 4.071 3.883 4.233 . 0 0 "[ . 1 . 2]" 1 2418 1 76 VAL MG1 1 136 MET ME . . 3.690 3.303 3.226 3.443 . 0 0 "[ . 1 . 2]" 1 2419 1 136 MET ME 1 139 VAL MG2 . . 3.660 2.240 2.073 2.591 . 0 0 "[ . 1 . 2]" 1 2420 1 76 VAL MG2 1 136 MET ME . . 3.140 1.866 1.786 1.948 . 0 0 "[ . 1 . 2]" 1 2421 1 35 TRP HE3 1 37 LEU HB3 . . 5.050 4.893 4.751 5.028 . 0 0 "[ . 1 . 2]" 1 2422 1 136 MET ME 1 140 ALA H . . 4.660 4.003 3.846 4.259 . 0 0 "[ . 1 . 2]" 1 2423 1 136 MET ME 1 137 GLU H . . 5.190 5.038 4.940 5.133 . 0 0 "[ . 1 . 2]" 1 2424 1 76 VAL HA 1 136 MET ME . . 4.770 4.543 4.429 4.726 . 0 0 "[ . 1 . 2]" 1 2425 1 115 LEU HB3 1 115 LEU MD2 . . 3.630 2.323 2.193 2.412 . 0 0 "[ . 1 . 2]" 1 2426 1 114 PHE QE 1 115 LEU MD2 . . 3.310 2.669 2.210 2.904 . 0 0 "[ . 1 . 2]" 1 2427 1 111 MET HB2 1 112 ALA HA . . 4.660 4.485 4.372 4.559 . 0 0 "[ . 1 . 2]" 1 2428 1 25 ARG HB3 1 33 THR MG . . 3.410 2.709 2.054 3.104 . 0 0 "[ . 1 . 2]" 1 2429 1 25 ARG HB2 1 33 THR MG . . 3.700 2.482 2.198 2.850 . 0 0 "[ . 1 . 2]" 1 2430 1 39 THR MG 1 40 TYR QD . . 4.890 4.711 4.576 4.883 . 0 0 "[ . 1 . 2]" 1 2431 1 101 LYS HA 1 101 LYS HG2 . . 3.880 2.364 2.276 2.443 . 0 0 "[ . 1 . 2]" 1 2432 1 120 VAL HA 1 120 VAL MG2 . . 3.370 2.417 2.343 2.457 . 0 0 "[ . 1 . 2]" 1 2433 1 36 ALA MB 1 52 THR MG . . 3.090 2.382 2.025 2.857 . 0 0 "[ . 1 . 2]" 1 2434 1 22 ALA MB 1 52 THR MG . . 3.210 2.155 1.917 2.382 . 0 0 "[ . 1 . 2]" 1 2435 1 92 THR MG 1 101 LYS HD3 . . 3.350 2.544 2.054 2.950 . 0 0 "[ . 1 . 2]" 1 2436 1 92 THR MG 1 101 LYS HB3 . . 3.840 3.811 3.733 3.840 . 0 0 "[ . 1 . 2]" 1 2437 1 36 ALA HA 1 52 THR MG . . 3.460 2.135 1.969 2.744 . 0 0 "[ . 1 . 2]" 1 2438 1 120 VAL MG2 1 139 VAL HA . . 4.850 2.695 2.233 3.058 . 0 0 "[ . 1 . 2]" 1 2439 1 120 VAL H 1 120 VAL MG2 . . 4.150 2.892 2.829 3.014 . 0 0 "[ . 1 . 2]" 1 2440 1 22 ALA MB 1 49 VAL MG2 . . 3.200 2.253 1.891 2.501 . 0 0 "[ . 1 . 2]" 1 2441 1 38 PHE HA 1 49 VAL MG2 . . 5.190 4.351 3.663 4.583 . 0 0 "[ . 1 . 2]" 1 2442 1 26 VAL MG1 1 27 VAL MG1 . . 4.470 3.219 3.119 3.373 . 0 0 "[ . 1 . 2]" 1 2443 1 26 VAL MG2 1 27 VAL MG1 . . 4.470 4.312 4.267 4.381 . 0 0 "[ . 1 . 2]" 1 2444 1 19 LEU HB2 1 38 PHE QD . . 5.500 5.271 5.143 5.444 . 0 0 "[ . 1 . 2]" 1 2445 1 19 LEU HB2 1 38 PHE QE . . 5.500 4.905 4.715 5.246 . 0 0 "[ . 1 . 2]" 1 2446 1 19 LEU HB2 1 114 PHE QE . . 5.230 3.724 3.381 4.203 . 0 0 "[ . 1 . 2]" 1 2447 1 88 LEU HB3 1 88 LEU MD1 . . 3.660 2.524 2.233 3.196 . 0 0 "[ . 1 . 2]" 1 2448 1 73 PHE QD 1 88 LEU MD2 . . 4.490 2.629 1.950 4.344 . 0 0 "[ . 1 . 2]" 1 2449 1 88 LEU HG 1 112 ALA HA . . 4.930 3.844 3.329 4.930 . 0 0 "[ . 1 . 2]" 1 2450 1 73 PHE QD 1 88 LEU HG . . 4.770 4.765 4.728 4.770 0.000 4 0 "[ . 1 . 2]" 1 2451 1 88 LEU HG 1 89 ILE H . . 4.900 4.360 2.941 4.900 0.000 15 0 "[ . 1 . 2]" 1 2452 1 85 LYS HB3 1 85 LYS HE2 . . 5.210 4.341 4.259 4.418 . 0 0 "[ . 1 . 2]" 1 2453 1 85 LYS HB3 1 85 LYS HE3 . . 5.210 4.173 3.836 4.510 . 0 0 "[ . 1 . 2]" 1 2454 1 79 PRO HG2 1 140 ALA MB . . 3.590 2.780 2.566 2.964 . 0 0 "[ . 1 . 2]" 1 2455 1 79 PRO HB3 1 140 ALA MB . . 4.660 3.772 3.699 3.909 . 0 0 "[ . 1 . 2]" 1 2456 1 139 VAL HB 1 140 ALA MB . . 4.430 4.015 3.911 4.102 . 0 0 "[ . 1 . 2]" 1 2457 1 136 MET HA 1 139 VAL MG1 . . 4.150 3.781 3.674 3.817 . 0 0 "[ . 1 . 2]" 1 2458 1 136 MET HA 1 139 VAL MG2 . . 4.150 1.982 1.971 2.088 . 0 0 "[ . 1 . 2]" 1 2459 1 136 MET HA 1 136 MET HG2 . . 4.000 2.267 2.212 2.298 . 0 0 "[ . 1 . 2]" 1 2460 1 135 ILE HB 1 136 MET HG3 . . 5.050 4.919 4.775 5.010 . 0 0 "[ . 1 . 2]" 1 2461 1 135 ILE HA 1 135 ILE MD . . 3.920 3.870 3.825 3.884 . 0 0 "[ . 1 . 2]" 1 2462 1 135 ILE HA 1 138 LYS HG3 . . 4.070 3.249 2.995 3.438 . 0 0 "[ . 1 . 2]" 1 2463 1 135 ILE H 1 135 ILE MG . . 4.150 3.797 3.788 3.802 . 0 0 "[ . 1 . 2]" 1 2464 1 26 VAL HB 1 27 VAL MG1 . . 4.660 2.969 2.906 3.100 . 0 0 "[ . 1 . 2]" 1 2465 1 131 GLU HG2 1 133 GLU H . . 4.970 4.353 4.034 4.389 . 0 0 "[ . 1 . 2]" 1 2466 1 130 VAL HA 1 135 ILE MD . . 3.370 2.986 2.856 3.140 . 0 0 "[ . 1 . 2]" 1 2467 1 60 MET ME 1 130 VAL MG2 . . 4.490 4.360 3.811 4.486 . 0 0 "[ . 1 . 2]" 1 2468 1 128 GLU H 1 128 GLU HG3 . . 3.880 3.213 2.343 3.709 . 0 0 "[ . 1 . 2]" 1 2469 1 125 ARG H 1 125 ARG HD2 . . 5.500 4.233 2.393 5.495 . 0 0 "[ . 1 . 2]" 1 2470 1 125 ARG H 1 125 ARG HD3 . . 5.500 4.620 2.626 5.500 0.000 12 0 "[ . 1 . 2]" 1 2471 1 89 ILE MD 1 122 ILE HB . . 4.790 4.231 3.937 4.789 . 0 0 "[ . 1 . 2]" 1 2472 1 122 ILE HG13 1 122 ILE MG . . 3.700 3.196 3.179 3.203 . 0 0 "[ . 1 . 2]" 1 2473 1 122 ILE MG 1 124 ALA MB . . 3.230 2.628 2.509 2.777 . 0 0 "[ . 1 . 2]" 1 2474 1 122 ILE HG12 1 122 ILE MG . . 3.150 2.357 2.264 2.411 . 0 0 "[ . 1 . 2]" 1 2475 1 122 ILE HB 1 122 ILE MD . . 3.510 2.353 2.297 2.441 . 0 0 "[ . 1 . 2]" 1 2476 1 122 ILE MD 1 138 LYS HG3 . . 3.620 2.193 1.942 2.424 . 0 0 "[ . 1 . 2]" 1 2477 1 87 VAL HA 1 121 THR HA . . 5.330 4.828 4.611 5.166 . 0 0 "[ . 1 . 2]" 1 2478 1 88 LEU HG 1 121 THR MG . . 4.350 3.538 2.872 4.204 . 0 0 "[ . 1 . 2]" 1 2479 1 88 LEU HB3 1 121 THR MG . . 3.880 2.575 2.150 3.014 . 0 0 "[ . 1 . 2]" 1 2480 1 120 VAL MG1 1 121 THR H . . 4.250 2.384 1.947 2.956 . 0 0 "[ . 1 . 2]" 1 2481 1 88 LEU HB3 1 118 ALA MB . . 3.350 2.770 2.221 3.094 . 0 0 "[ . 1 . 2]" 1 2482 1 86 PHE HB2 1 118 ALA MB . . 4.360 3.982 3.625 4.179 . 0 0 "[ . 1 . 2]" 1 2483 1 116 LYS HB3 1 117 GLY HA2 . . 5.010 3.909 3.866 3.944 . 0 0 "[ . 1 . 2]" 1 2484 1 83 LEU HG 1 84 PRO HD3 . . 5.500 5.104 4.881 5.230 . 0 0 "[ . 1 . 2]" 1 2485 1 83 LEU H 1 83 LEU MD2 . . 4.150 3.829 3.707 3.933 . 0 0 "[ . 1 . 2]" 1 2486 1 79 PRO HB3 1 79 PRO HD3 . . 4.250 3.106 3.091 3.171 . 0 0 "[ . 1 . 2]" 1 2487 1 75 ARG H 1 76 VAL MG1 . . 4.890 3.438 3.223 3.675 . 0 0 "[ . 1 . 2]" 1 2488 1 76 VAL MG2 1 139 VAL MG1 . . 2.950 2.076 1.923 2.317 . 0 0 "[ . 1 . 2]" 1 2489 1 76 VAL MG2 1 85 LYS HG3 . . 4.670 4.547 4.398 4.668 . 0 0 "[ . 1 . 2]" 1 2490 1 76 VAL MG2 1 85 LYS HB2 . . 3.420 3.335 3.149 3.420 0.000 9 0 "[ . 1 . 2]" 1 2491 1 75 ARG HG2 1 86 PHE QE . . 4.890 3.761 3.629 3.955 . 0 0 "[ . 1 . 2]" 1 2492 1 36 ALA H 1 74 CYS HA . . 4.360 4.052 3.956 4.185 . 0 0 "[ . 1 . 2]" 1 2493 1 35 TRP HA 1 74 CYS HB2 . . 5.050 4.158 3.863 4.384 . 0 0 "[ . 1 . 2]" 1 2494 1 72 ALA MB 1 89 ILE H . . 3.660 3.521 3.085 3.660 . 0 0 "[ . 1 . 2]" 1 2495 1 37 LEU MD2 1 64 LEU MD2 . . 4.660 2.281 1.725 2.818 . 0 0 "[ . 1 . 2]" 1 2496 1 130 VAL MG2 1 131 GLU HB2 . . 5.500 4.692 4.607 4.884 . 0 0 "[ . 1 . 2]" 1 2497 1 58 GLU HA 1 61 VAL MG2 . . 4.150 2.598 2.348 2.867 . 0 0 "[ . 1 . 2]" 1 2498 1 60 MET HA 1 61 VAL MG1 . . 5.500 4.963 4.803 5.077 . 0 0 "[ . 1 . 2]" 1 2499 1 60 MET HA 1 61 VAL MG2 . . 5.500 4.951 4.871 5.063 . 0 0 "[ . 1 . 2]" 1 2500 1 37 LEU MD2 1 60 MET HG3 . . 6.000 4.776 2.544 5.347 . 0 0 "[ . 1 . 2]" 1 2501 1 53 GLY HA2 1 54 GLU HB3 . . 5.500 5.502 5.439 5.577 0.077 19 0 "[ . 1 . 2]" 1 2502 1 53 GLY HA2 1 54 GLU HB2 . . 5.500 4.352 4.106 4.887 . 0 0 "[ . 1 . 2]" 1 2503 1 37 LEU HA 1 50 ALA MB . . 4.660 4.162 3.852 4.394 . 0 0 "[ . 1 . 2]" 1 2504 1 38 PHE HA 1 49 VAL HA . . 3.560 2.645 2.284 2.832 . 0 0 "[ . 1 . 2]" 1 2505 1 132 PRO HB2 1 133 GLU HA . . 4.070 3.913 3.896 4.048 . 0 0 "[ . 1 . 2]" 1 2506 1 48 ARG HD2 1 49 VAL H . . 5.500 4.717 3.671 5.502 0.002 18 0 "[ . 1 . 2]" 1 2507 1 48 ARG HD3 1 49 VAL H . . 5.500 5.153 4.018 5.500 0.000 17 0 "[ . 1 . 2]" 1 2508 1 47 ILE MD 1 71 TYR HD1 . . 4.070 3.521 3.145 3.960 . 0 0 "[ . 1 . 2]" 1 2509 1 37 LEU HA 1 38 PHE HB2 . . 4.980 4.556 4.464 4.649 . 0 0 "[ . 1 . 2]" 1 2510 1 40 TYR HB3 1 45 ASN HA . . 5.220 4.600 4.114 4.985 . 0 0 "[ . 1 . 2]" 1 2511 1 37 LEU HA 1 38 PHE QE . . 4.780 4.553 4.122 4.780 . 0 0 "[ . 1 . 2]" 1 2512 1 40 TYR HB2 1 41 GLU H . . 4.660 3.603 3.459 3.885 . 0 0 "[ . 1 . 2]" 1 2513 1 21 GLU HB3 1 25 ARG HD2 . . 5.270 4.355 3.997 4.606 . 0 0 "[ . 1 . 2]" 1 2514 1 41 GLU HB2 1 44 SER HG . . 5.190 4.855 3.995 5.190 . 0 0 "[ . 1 . 2]" 1 2515 1 39 THR MG 1 70 MET HA . . 5.240 5.155 4.931 5.240 0.000 2 0 "[ . 1 . 2]" 1 2516 1 27 VAL HA 1 86 PHE QE . . 3.040 2.039 1.998 2.269 . 0 0 "[ . 1 . 2]" 1 2517 1 27 VAL MG1 1 33 THR MG . . 5.500 5.503 5.501 5.506 0.006 18 0 "[ . 1 . 2]" 1 2518 1 26 VAL MG1 1 27 VAL MG2 . . 5.500 4.670 4.622 4.738 . 0 0 "[ . 1 . 2]" 1 2519 1 23 TYR QE 1 27 VAL MG1 . . 3.630 3.001 2.305 3.332 . 0 0 "[ . 1 . 2]" 1 2520 1 26 VAL MG2 1 73 PHE HB2 . . 5.500 4.458 4.151 4.702 . 0 0 "[ . 1 . 2]" 1 2521 1 26 VAL MG1 1 73 PHE HB3 . . 4.700 3.153 2.892 3.819 . 0 0 "[ . 1 . 2]" 1 2522 1 26 VAL MG2 1 73 PHE HB3 . . 4.700 2.950 2.612 3.235 . 0 0 "[ . 1 . 2]" 1 2523 1 26 VAL MG2 1 27 VAL MG2 . . 5.500 4.897 4.854 4.944 . 0 0 "[ . 1 . 2]" 1 2524 1 24 VAL MG1 1 27 VAL MG2 . . 4.070 3.112 2.787 3.962 . 0 0 "[ . 1 . 2]" 1 2525 1 57 LEU HG 1 76 VAL MG1 . . 4.050 3.410 3.225 3.577 . 0 0 "[ . 1 . 2]" 1 2526 1 22 ALA HA 1 52 THR MG . . 3.880 3.008 2.664 3.342 . 0 0 "[ . 1 . 2]" 1 2527 1 21 GLU HG2 1 22 ALA MB . . 4.490 4.422 4.114 4.491 0.001 13 0 "[ . 1 . 2]" 1 2528 1 17 PRO HB3 1 18 ALA MB . . 5.500 5.180 5.093 5.254 . 0 0 "[ . 1 . 2]" 1 2529 1 21 GLU HG3 1 22 ALA MB . . 5.500 5.177 4.962 5.501 0.001 14 0 "[ . 1 . 2]" 1 2530 1 22 ALA MB 1 36 ALA MB . . 3.060 2.356 1.939 2.691 . 0 0 "[ . 1 . 2]" 1 2531 1 19 LEU HB3 1 20 GLN HA . . 4.490 4.312 4.214 4.481 . 0 0 "[ . 1 . 2]" 1 2532 1 12 LEU HG 1 19 LEU MD1 . . 3.780 2.434 1.961 2.970 . 0 0 "[ . 1 . 2]" 1 2533 1 19 LEU MD1 1 38 PHE QD . . 4.660 4.473 4.406 4.615 . 0 0 "[ . 1 . 2]" 1 2534 1 19 LEU MD2 1 48 ARG HB3 . . 5.380 4.036 3.923 4.211 . 0 0 "[ . 1 . 2]" 1 2535 1 18 ALA MB 1 19 LEU MD2 . . 4.440 4.037 3.603 4.181 . 0 0 "[ . 1 . 2]" 1 2536 1 19 LEU MD2 1 22 ALA MB . . 4.750 4.163 3.802 4.417 . 0 0 "[ . 1 . 2]" 1 2537 1 15 ASN HB3 1 18 ALA MB . . 4.150 2.265 2.019 3.367 . 0 0 "[ . 1 . 2]" 1 2538 1 21 GLU HB3 1 22 ALA MB . . 4.120 3.826 3.656 3.955 . 0 0 "[ . 1 . 2]" 1 2539 1 17 PRO HA 1 20 GLN H . . 4.240 3.924 3.604 4.127 . 0 0 "[ . 1 . 2]" 1 2540 1 14 ARG HA 1 14 ARG HG3 . . 4.150 3.293 3.170 3.510 . 0 0 "[ . 1 . 2]" 1 2541 1 14 ARG HA 1 14 ARG HG2 . . 4.150 2.434 2.280 2.613 . 0 0 "[ . 1 . 2]" 1 2542 1 14 ARG HB2 1 14 ARG HD2 . . 4.200 2.997 2.613 3.607 . 0 0 "[ . 1 . 2]" 1 2543 1 14 ARG HB3 1 14 ARG HD2 . . 4.200 3.167 2.578 3.717 . 0 0 "[ . 1 . 2]" 1 2544 1 12 LEU HG 1 19 LEU MD2 . . 4.240 3.694 3.070 4.149 . 0 0 "[ . 1 . 2]" 1 2545 1 12 LEU MD1 1 110 THR MG . . 4.080 2.360 2.132 2.524 . 0 0 "[ . 1 . 2]" 1 2546 1 12 LEU MD2 1 47 ILE MG . . 4.660 2.924 2.345 3.726 . 0 0 "[ . 1 . 2]" 1 2547 1 10 ALA MB 1 47 ILE HG12 . . 3.830 2.510 2.198 2.957 . 0 0 "[ . 1 . 2]" 1 2548 1 10 ALA MB 1 107 HIS HA . . 4.660 2.997 2.370 3.359 . 0 0 "[ . 1 . 2]" 1 2549 1 136 MET ME 1 136 MET HG3 . . 3.390 3.308 3.287 3.324 . 0 0 "[ . 1 . 2]" 1 2550 1 79 PRO HD2 1 136 MET ME . . 4.620 4.501 4.398 4.558 . 0 0 "[ . 1 . 2]" 1 2551 1 60 MET ME 1 89 ILE MD . . 2.700 2.163 1.962 2.450 . 0 0 "[ . 1 . 2]" 1 2552 1 60 MET ME 1 135 ILE MD . . 2.870 2.345 1.944 2.623 . 0 0 "[ . 1 . 2]" 1 2553 1 60 MET HB3 1 60 MET ME . . 2.890 2.249 2.059 2.399 . 0 0 "[ . 1 . 2]" 1 2554 1 60 MET ME 1 130 VAL HB . . 4.150 3.790 3.372 3.998 . 0 0 "[ . 1 . 2]" 1 2555 1 57 LEU HB3 1 60 MET ME . . 3.780 3.060 2.628 3.319 . 0 0 "[ . 1 . 2]" 1 2556 1 37 LEU MD2 1 70 MET ME . . 3.790 1.980 1.822 3.742 . 0 0 "[ . 1 . 2]" 1 2557 1 50 ALA MB 1 70 MET ME . . 2.790 2.316 2.193 2.586 . 0 0 "[ . 1 . 2]" 1 2558 1 37 LEU HB3 1 70 MET ME . . 3.330 2.937 2.571 3.181 . 0 0 "[ . 1 . 2]" 1 2559 1 70 MET ME 1 70 MET HG2 . . 2.990 2.406 2.317 2.510 . 0 0 "[ . 1 . 2]" 1 2560 1 65 ASN HB2 1 70 MET ME . . 4.170 3.972 3.724 4.170 0.000 5 0 "[ . 1 . 2]" 1 2561 1 70 MET ME 1 70 MET HG3 . . 3.560 3.370 3.332 3.395 . 0 0 "[ . 1 . 2]" 1 2562 1 68 LYS HE3 1 70 MET ME . . 5.500 5.281 4.861 5.498 . 0 0 "[ . 1 . 2]" 1 2563 1 70 MET ME 1 91 TRP HB3 . . 5.500 5.373 5.073 5.501 0.001 9 0 "[ . 1 . 2]" 1 2564 1 70 MET HB3 1 70 MET ME . . 3.220 2.234 1.996 2.495 . 0 0 "[ . 1 . 2]" 1 2565 1 39 THR HG1 1 70 MET ME . . 4.660 3.694 3.554 4.083 . 0 0 "[ . 1 . 2]" 1 2566 1 111 MET ME 1 111 MET HG3 . . 3.390 2.420 2.301 2.473 . 0 0 "[ . 1 . 2]" 1 2567 1 47 ILE MG 1 111 MET ME . . 3.060 2.299 1.908 2.545 . 0 0 "[ . 1 . 2]" 1 2568 1 111 MET ME 1 115 LEU HG . . 3.460 3.073 2.698 3.405 . 0 0 "[ . 1 . 2]" 1 2569 1 111 MET ME 1 111 MET HG2 . . 3.390 3.373 3.351 3.391 0.001 17 0 "[ . 1 . 2]" 1 2570 1 38 PHE HB3 1 111 MET ME . . 3.480 3.052 2.586 3.442 . 0 0 "[ . 1 . 2]" 1 2571 1 111 MET ME 1 115 LEU MD1 . . 3.000 2.301 1.907 2.623 . 0 0 "[ . 1 . 2]" 1 2572 1 90 ASN HB2 1 108 VAL MG1 . . 5.190 4.529 4.147 4.839 . 0 0 "[ . 1 . 2]" 1 2573 1 20 GLN HG2 1 114 PHE HZ . . 5.500 5.178 4.567 5.499 . 0 0 "[ . 1 . 2]" 1 2574 1 20 GLN HG3 1 114 PHE HZ . . 5.500 4.527 4.375 5.301 . 0 0 "[ . 1 . 2]" 1 2575 1 23 TYR QE 1 27 VAL MG2 . . 4.180 3.935 3.226 4.181 0.001 3 0 "[ . 1 . 2]" 1 2576 1 71 TYR HB2 1 71 TYR HE1 . . 4.890 4.719 4.693 4.749 . 0 0 "[ . 1 . 2]" 1 2577 1 114 PHE QE 1 115 LEU HG . . 5.330 3.996 3.637 4.460 . 0 0 "[ . 1 . 2]" 1 2578 1 38 PHE QD 1 115 LEU MD2 . . 5.230 3.748 3.499 4.018 . 0 0 "[ . 1 . 2]" 1 2579 1 38 PHE QD 1 71 TYR HA . . 5.500 5.064 4.604 5.359 . 0 0 "[ . 1 . 2]" 1 2580 1 38 PHE QE 1 114 PHE HZ . . 5.230 4.668 4.059 5.092 . 0 0 "[ . 1 . 2]" 1 2581 1 38 PHE QE 1 114 PHE QE . . 5.350 3.855 3.148 4.196 . 0 0 "[ . 1 . 2]" 1 2582 1 73 PHE QD 1 115 LEU HB3 . . 4.360 3.436 3.079 3.698 . 0 0 "[ . 1 . 2]" 1 2583 1 27 VAL MG2 1 86 PHE QE . . 4.890 4.341 4.276 4.403 . 0 0 "[ . 1 . 2]" 1 2584 1 75 ARG HD2 1 86 PHE HZ . . 5.500 4.822 3.835 5.388 . 0 0 "[ . 1 . 2]" 1 2585 1 111 MET HB3 1 114 PHE HB3 . . 5.500 4.274 4.015 4.458 . 0 0 "[ . 1 . 2]" 1 2586 1 114 PHE QD 1 115 LEU HB3 . . 5.500 5.205 4.815 5.417 . 0 0 "[ . 1 . 2]" 1 2587 1 114 PHE QD 1 115 LEU MD1 . . 4.070 3.564 3.198 3.888 . 0 0 "[ . 1 . 2]" 1 2588 1 20 GLN HA 1 114 PHE QD . . 5.230 4.847 4.703 4.997 . 0 0 "[ . 1 . 2]" 1 2589 1 73 PHE QE 1 88 LEU HB2 . . 4.890 3.586 3.112 3.896 . 0 0 "[ . 1 . 2]" 1 2590 1 73 PHE HA 1 73 PHE QE . . 4.890 4.323 4.282 4.378 . 0 0 "[ . 1 . 2]" 1 2591 1 67 GLY H 1 91 TRP HD1 . . 5.500 5.143 4.960 5.449 . 0 0 "[ . 1 . 2]" 1 2592 1 104 CYS HA 1 107 HIS HD2 . . 5.230 4.099 3.501 4.638 . 0 0 "[ . 1 . 2]" 1 2593 1 35 TRP HD1 1 53 GLY HA3 . . 4.890 4.664 4.208 4.891 0.001 12 0 "[ . 1 . 2]" 1 2594 1 119 HIS HB3 1 119 HIS HD2 . . 3.780 2.715 2.696 2.758 . 0 0 "[ . 1 . 2]" 1 2595 1 35 TRP HZ3 1 36 ALA MB . . 5.500 5.136 4.886 5.312 . 0 0 "[ . 1 . 2]" 1 2596 1 73 PHE QD 1 86 PHE HB3 . . 4.510 4.227 4.045 4.375 . 0 0 "[ . 1 . 2]" 1 2597 1 56 GLY HA2 1 57 LEU HA . . 5.230 4.360 4.312 4.391 . 0 0 "[ . 1 . 2]" 1 2598 1 57 LEU MD2 1 135 ILE H . . 5.500 4.403 4.097 4.731 . 0 0 "[ . 1 . 2]" 1 2599 1 71 TYR HA 1 71 TYR HE2 . . 5.230 5.094 4.997 5.174 . 0 0 "[ . 1 . 2]" 1 2600 1 90 ASN H 1 122 ILE MG . . 4.660 4.435 4.257 4.656 . 0 0 "[ . 1 . 2]" 1 2601 1 124 ALA MB 1 125 ARG HA . . 4.210 3.883 3.837 4.000 . 0 0 "[ . 1 . 2]" 1 2602 1 76 VAL MG2 1 139 VAL MG2 . . 2.950 2.333 1.983 2.615 . 0 0 "[ . 1 . 2]" 1 2603 1 57 LEU H 1 60 MET ME . . 5.230 4.943 4.426 5.226 . 0 0 "[ . 1 . 2]" 1 2604 1 89 ILE HA 1 122 ILE MG . . 4.510 4.170 3.980 4.414 . 0 0 "[ . 1 . 2]" 1 2605 1 80 ASN H 1 140 ALA HA . . 5.230 4.574 4.439 4.695 . 0 0 "[ . 1 . 2]" 1 2606 1 136 MET HB3 1 137 GLU H . . 4.930 3.544 3.360 3.619 . 0 0 "[ . 1 . 2]" 1 2607 1 135 ILE HB 1 136 MET HA . . 5.230 4.220 4.198 4.248 . 0 0 "[ . 1 . 2]" 1 2608 1 124 ALA MB 1 127 GLU HA . . 5.500 5.157 4.860 5.236 . 0 0 "[ . 1 . 2]" 1 2609 1 125 ARG HA 1 125 ARG HD2 . . 5.380 4.369 3.660 4.832 . 0 0 "[ . 1 . 2]" 1 2610 1 125 ARG HA 1 125 ARG HD3 . . 5.380 4.393 3.700 4.710 . 0 0 "[ . 1 . 2]" 1 2611 1 114 PHE HB3 1 115 LEU MD1 . . 4.890 4.377 4.164 4.584 . 0 0 "[ . 1 . 2]" 1 2612 1 88 LEU HG 1 115 LEU MD1 . . 3.940 3.815 3.610 3.940 . 0 0 "[ . 1 . 2]" 1 2613 1 107 HIS HA 1 110 THR HB . . 4.150 3.419 3.092 3.833 . 0 0 "[ . 1 . 2]" 1 2614 1 96 VAL HA 1 97 ASN HA . . 4.890 4.378 4.344 4.421 . 0 0 "[ . 1 . 2]" 1 2615 1 72 ALA MB 1 91 TRP HB3 . . 5.230 4.539 4.288 4.709 . 0 0 "[ . 1 . 2]" 1 2616 1 91 TRP HZ3 1 126 ALA HA . . 5.230 3.527 3.119 3.704 . 0 0 "[ . 1 . 2]" 1 2617 1 88 LEU HG 1 90 ASN HD22 . . 5.190 4.420 3.013 5.105 . 0 0 "[ . 1 . 2]" 1 2618 1 88 LEU HA 1 89 ILE HG13 . . 5.230 3.854 3.747 4.038 . 0 0 "[ . 1 . 2]" 1 2619 1 73 PHE HB2 1 88 LEU HA . . 5.230 4.662 4.284 4.910 . 0 0 "[ . 1 . 2]" 1 2620 1 72 ALA H 1 88 LEU HA . . 5.230 5.042 4.739 5.203 . 0 0 "[ . 1 . 2]" 1 2621 1 88 LEU HG 1 121 THR HA . . 5.230 4.839 4.109 5.230 . 0 0 "[ . 1 . 2]" 1 2622 1 88 LEU H 1 88 LEU HG . . 4.890 4.778 4.476 4.891 0.001 20 0 "[ . 1 . 2]" 1 2623 1 79 PRO HA 1 140 ALA MB . . 5.500 5.281 5.111 5.443 . 0 0 "[ . 1 . 2]" 1 2624 1 29 GLU HA 1 75 ARG HD3 . . 4.900 4.478 4.346 4.865 . 0 0 "[ . 1 . 2]" 1 2625 1 66 SER HB3 1 91 TRP HZ2 . . 4.890 2.773 2.646 3.213 . 0 0 "[ . 1 . 2]" 1 2626 1 61 VAL HA 1 64 LEU HB2 . . 5.230 2.828 2.466 3.125 . 0 0 "[ . 1 . 2]" 1 2627 1 62 GLU HB3 1 63 GLU HA . . 4.490 4.142 4.065 4.263 . 0 0 "[ . 1 . 2]" 1 2628 1 57 LEU HG 1 132 PRO HA . . 5.230 4.418 4.237 4.724 . 0 0 "[ . 1 . 2]" 1 2629 1 54 GLU H 1 55 GLY HA2 . . 5.230 4.536 4.418 4.634 . 0 0 "[ . 1 . 2]" 1 2630 1 49 VAL HA 1 50 ALA HA . . 5.230 4.400 4.378 4.410 . 0 0 "[ . 1 . 2]" 1 2631 1 39 THR H 1 50 ALA HA . . 5.350 4.219 3.867 4.540 . 0 0 "[ . 1 . 2]" 1 2632 1 38 PHE HA 1 49 VAL MG1 . . 5.190 4.345 4.048 5.075 . 0 0 "[ . 1 . 2]" 1 2633 1 47 ILE MG 1 48 ARG HA . . 4.660 3.523 3.374 3.682 . 0 0 "[ . 1 . 2]" 1 2634 1 10 ALA HA 1 45 ASN HA . . 5.270 4.379 4.028 4.864 . 0 0 "[ . 1 . 2]" 1 2635 1 44 SER HB2 1 45 ASN HA . . 5.500 4.532 4.423 4.650 . 0 0 "[ . 1 . 2]" 1 2636 1 45 ASN HB3 1 107 HIS HE1 . . 4.660 2.327 2.000 2.987 . 0 0 "[ . 1 . 2]" 1 2637 1 15 ASN HD22 1 41 GLU HG2 . . 5.230 4.668 3.592 5.231 0.001 18 0 "[ . 1 . 2]" 1 2638 1 36 ALA HA 1 37 LEU HB3 . . 5.500 5.276 5.174 5.483 . 0 0 "[ . 1 . 2]" 1 2639 1 37 LEU H 1 37 LEU HG . . 5.230 4.586 3.713 4.672 . 0 0 "[ . 1 . 2]" 1 2640 1 37 LEU HG 1 70 MET HB3 . . 5.230 3.012 2.640 5.145 . 0 0 "[ . 1 . 2]" 1 2641 1 37 LEU MD1 1 71 TYR H . . 5.230 4.171 2.595 5.225 . 0 0 "[ . 1 . 2]" 1 2642 1 37 LEU H 1 37 LEU MD1 . . 5.230 3.516 3.283 4.292 . 0 0 "[ . 1 . 2]" 1 2643 1 26 VAL HB 1 36 ALA MB . . 4.360 3.856 3.763 4.198 . 0 0 "[ . 1 . 2]" 1 2644 1 36 ALA MB 1 38 PHE QE . . 3.430 2.446 2.205 2.759 . 0 0 "[ . 1 . 2]" 1 2645 1 35 TRP HZ3 1 36 ALA HA . . 5.230 3.759 3.473 3.961 . 0 0 "[ . 1 . 2]" 1 2646 1 12 LEU MD2 1 110 THR MG . . 4.080 3.891 3.516 4.041 . 0 0 "[ . 1 . 2]" 1 2647 1 20 GLN HG3 1 24 VAL MG2 . . 5.500 3.332 2.755 5.140 . 0 0 "[ . 1 . 2]" 1 2648 1 23 TYR HA 1 23 TYR QE . . 5.230 4.683 4.506 4.844 . 0 0 "[ . 1 . 2]" 1 2649 1 23 TYR HB3 1 114 PHE HZ . . 4.890 3.189 2.959 3.310 . 0 0 "[ . 1 . 2]" 1 2650 1 23 TYR QE 1 24 VAL HA . . 5.230 4.597 3.713 5.085 . 0 0 "[ . 1 . 2]" 1 2651 1 15 ASN HD21 1 19 LEU HG . . 5.500 4.344 3.846 5.155 . 0 0 "[ . 1 . 2]" 1 2652 1 18 ALA MB 1 19 LEU MD1 . . 4.840 4.024 3.785 4.227 . 0 0 "[ . 1 . 2]" 1 2653 1 19 LEU MD1 1 48 ARG HB3 . . 5.460 4.257 3.825 4.854 . 0 0 "[ . 1 . 2]" 1 2654 1 16 GLY HA3 1 19 LEU H . . 5.230 5.033 4.832 5.212 . 0 0 "[ . 1 . 2]" 1 2655 1 16 GLY HA2 1 18 ALA H . . 5.440 4.555 4.287 4.785 . 0 0 "[ . 1 . 2]" 1 2656 1 83 LEU H 1 84 PRO HD3 . . 5.500 4.942 4.745 5.057 . 0 0 "[ . 1 . 2]" 1 2657 1 18 ALA HA 1 21 GLU HG2 . . 4.890 4.761 4.576 4.891 0.001 7 0 "[ . 1 . 2]" 1 2658 1 115 LEU HA 1 115 LEU MD1 . . 3.940 3.905 3.859 3.940 0.000 3 0 "[ . 1 . 2]" 1 2659 1 12 LEU HA 1 19 LEU MD2 . . 4.610 4.238 3.753 4.526 . 0 0 "[ . 1 . 2]" 1 2660 1 10 ALA MB 1 12 LEU MD1 . . 4.510 2.044 1.788 2.417 . 0 0 "[ . 1 . 2]" 1 2661 1 19 LEU HB2 1 20 GLN HA . . 4.890 4.239 4.107 4.387 . 0 0 "[ . 1 . 2]" 1 2662 1 19 LEU MD2 1 38 PHE QE . . 3.060 2.987 2.738 3.061 0.001 5 0 "[ . 1 . 2]" 1 2663 1 19 LEU HA 1 19 LEU MD1 . . 4.180 3.912 3.884 3.954 . 0 0 "[ . 1 . 2]" 1 2664 1 25 ARG HB2 1 26 VAL HA . . 4.890 4.336 4.156 4.796 . 0 0 "[ . 1 . 2]" 1 2665 1 26 VAL HA 1 33 THR MG . . 3.940 1.987 1.953 2.057 . 0 0 "[ . 1 . 2]" 1 2666 1 35 TRP HA 1 35 TRP HE3 . . 5.230 4.416 4.307 4.495 . 0 0 "[ . 1 . 2]" 1 2667 1 38 PHE HB2 1 71 TYR HB2 . . 4.000 2.331 2.000 2.665 . 0 0 "[ . 1 . 2]" 1 2668 1 38 PHE HB3 1 71 TYR HB2 . . 4.410 4.017 3.705 4.368 . 0 0 "[ . 1 . 2]" 1 2669 1 111 MET ME 1 114 PHE HB2 . . 5.500 5.192 4.913 5.423 . 0 0 "[ . 1 . 2]" 1 2670 1 73 PHE H 1 115 LEU MD1 . . 5.230 4.713 4.451 4.937 . 0 0 "[ . 1 . 2]" 1 2671 1 73 PHE QE 1 115 LEU MD2 . . 4.660 4.013 3.782 4.421 . 0 0 "[ . 1 . 2]" 1 2672 1 23 TYR QE 1 27 VAL HB . . 5.500 5.299 4.775 5.500 . 0 0 "[ . 1 . 2]" 1 2673 1 27 VAL HB 1 28 THR HG1 . . 5.500 4.898 4.389 5.413 . 0 0 "[ . 1 . 2]" 1 2674 1 101 LYS HG3 1 102 GLY H . . 5.230 4.695 4.301 4.829 . 0 0 "[ . 1 . 2]" 1 2675 1 92 THR HB 1 125 ARG HG3 . . 3.880 2.657 2.000 3.741 . 0 0 "[ . 1 . 2]" 1 2676 1 37 LEU MD2 1 64 LEU MD1 . . 4.660 4.312 3.603 4.498 . 0 0 "[ . 1 . 2]" 1 2677 1 77 LYS H 1 77 LYS HE2 . . 5.500 5.071 4.643 5.424 . 0 0 "[ . 1 . 2]" 1 2678 1 77 LYS H 1 77 LYS HE3 . . 5.500 5.124 4.054 5.467 . 0 0 "[ . 1 . 2]" 1 2679 1 19 LEU MD1 1 114 PHE HZ . . 5.230 4.395 4.057 4.788 . 0 0 "[ . 1 . 2]" 1 2680 1 35 TRP H 1 52 THR HB . . 5.230 5.067 4.541 5.230 0.000 11 0 "[ . 1 . 2]" 1 2681 1 56 GLY HA2 1 57 LEU HG . . 5.230 3.967 3.861 4.118 . 0 0 "[ . 1 . 2]" 1 2682 1 91 TRP HA 1 92 THR HA . . 5.230 4.402 4.391 4.407 . 0 0 "[ . 1 . 2]" 1 2683 1 24 VAL MG1 1 27 VAL H . . 5.500 4.790 4.619 5.216 . 0 0 "[ . 1 . 2]" 1 2684 1 72 ALA MB 1 130 VAL HB . . 5.500 4.807 4.466 5.032 . 0 0 "[ . 1 . 2]" 1 2685 1 40 TYR HB2 1 47 ILE MD . . 5.230 4.271 3.800 4.470 . 0 0 "[ . 1 . 2]" 1 2686 1 23 TYR HA 1 114 PHE HZ . . 5.500 5.499 5.482 5.501 0.001 18 0 "[ . 1 . 2]" 1 2687 1 7 GLY QA 1 8 MET QB . . 4.760 3.981 3.558 4.561 . 0 0 "[ . 1 . 2]" 1 2688 1 8 MET HA 1 8 MET QG . . 3.700 2.380 2.038 3.400 . 0 0 "[ . 1 . 2]" 1 2689 1 8 MET QB 1 9 ALA H . . 3.870 3.422 2.206 3.886 0.016 1 0 "[ . 1 . 2]" 1 2690 1 8 MET QB 1 45 ASN QD . . 4.390 3.635 1.875 4.388 . 0 0 "[ . 1 . 2]" 1 2691 1 8 MET QG 1 45 ASN QD . . 4.750 3.455 2.089 4.666 . 0 0 "[ . 1 . 2]" 1 2692 1 10 ALA HA 1 12 LEU QD . . 4.800 3.928 3.646 4.525 . 0 0 "[ . 1 . 2]" 1 2693 1 10 ALA HA 1 45 ASN QB . . 3.540 2.979 2.685 3.259 . 0 0 "[ . 1 . 2]" 1 2694 1 10 ALA HA 1 45 ASN QD . . 5.340 4.951 4.216 5.330 . 0 0 "[ . 1 . 2]" 1 2695 1 10 ALA MB 1 12 LEU QD . . 3.430 2.037 1.784 2.404 . 0 0 "[ . 1 . 2]" 1 2696 1 10 ALA MB 1 45 ASN QB . . 4.560 4.369 4.137 4.559 . 0 0 "[ . 1 . 2]" 1 2697 1 10 ALA MB 1 111 MET QG . . 4.470 2.787 2.461 3.456 . 0 0 "[ . 1 . 2]" 1 2698 1 11 ASN H 1 11 ASN QB . . 2.980 2.387 2.291 2.490 . 0 0 "[ . 1 . 2]" 1 2699 1 11 ASN H 1 12 LEU QD . . 4.850 3.422 2.909 4.124 . 0 0 "[ . 1 . 2]" 1 2700 1 11 ASN H 1 45 ASN QB . . 3.740 3.508 3.001 3.740 . 0 0 "[ . 1 . 2]" 1 2701 1 11 ASN QB 1 46 ASP HA . . 3.410 2.456 2.093 2.746 . 0 0 "[ . 1 . 2]" 1 2702 1 11 ASN QB 1 47 ILE H . . 4.180 3.872 3.433 4.169 . 0 0 "[ . 1 . 2]" 1 2703 1 11 ASN QD 1 13 SER QB . . 4.480 2.336 1.974 3.351 . 0 0 "[ . 1 . 2]" 1 2704 1 11 ASN QD 1 14 ARG H . . 3.770 2.697 2.325 3.237 . 0 0 "[ . 1 . 2]" 1 2705 1 11 ASN QD 1 14 ARG QB . . 4.040 3.804 3.183 4.036 . 0 0 "[ . 1 . 2]" 1 2706 1 12 LEU H 1 12 LEU QB . . 3.600 2.937 2.373 3.364 . 0 0 "[ . 1 . 2]" 1 2707 1 12 LEU H 1 12 LEU QD . . 3.950 2.891 2.457 3.261 . 0 0 "[ . 1 . 2]" 1 2708 1 12 LEU HA 1 12 LEU QD . . 3.310 3.017 2.974 3.085 . 0 0 "[ . 1 . 2]" 1 2709 1 12 LEU QB 1 12 LEU QD . . 2.700 1.777 1.735 1.844 . 0 0 "[ . 1 . 2]" 1 2710 1 12 LEU QB 1 13 SER H . . 4.100 3.732 3.714 3.797 . 0 0 "[ . 1 . 2]" 1 2711 1 12 LEU QB 1 19 LEU MD1 . . 3.700 2.372 1.926 2.713 . 0 0 "[ . 1 . 2]" 1 2712 1 12 LEU QD 1 19 LEU HB2 . . 4.850 3.309 3.058 3.721 . 0 0 "[ . 1 . 2]" 1 2713 1 12 LEU QD 1 19 LEU HB3 . . 3.100 2.976 2.633 3.100 0.000 10 0 "[ . 1 . 2]" 1 2714 1 12 LEU QD 1 19 LEU MD1 . . 3.210 1.983 1.829 2.247 . 0 0 "[ . 1 . 2]" 1 2715 1 12 LEU QD 1 19 LEU MD2 . . 3.580 2.712 2.358 3.264 . 0 0 "[ . 1 . 2]" 1 2716 1 12 LEU QD 1 47 ILE H . . 4.540 3.654 3.016 4.165 . 0 0 "[ . 1 . 2]" 1 2717 1 12 LEU QD 1 47 ILE HB . . 3.300 2.475 1.962 2.798 . 0 0 "[ . 1 . 2]" 1 2718 1 12 LEU QD 1 47 ILE MG . . 3.310 2.790 2.331 3.287 . 0 0 "[ . 1 . 2]" 1 2719 1 12 LEU QD 1 47 ILE HG12 . . 4.910 3.223 2.573 3.722 . 0 0 "[ . 1 . 2]" 1 2720 1 12 LEU QD 1 47 ILE HG13 . . 4.000 2.919 2.417 3.383 . 0 0 "[ . 1 . 2]" 1 2721 1 12 LEU QD 1 47 ILE MD . . 4.730 3.963 3.656 4.304 . 0 0 "[ . 1 . 2]" 1 2722 1 12 LEU QD 1 110 THR HA . . 5.440 4.976 4.728 5.141 . 0 0 "[ . 1 . 2]" 1 2723 1 12 LEU QD 1 110 THR HB . . 5.010 3.647 3.263 3.843 . 0 0 "[ . 1 . 2]" 1 2724 1 12 LEU QD 1 110 THR MG . . 2.750 2.341 2.114 2.493 . 0 0 "[ . 1 . 2]" 1 2725 1 12 LEU QD 1 110 THR HG1 . . 5.440 4.906 4.385 5.324 . 0 0 "[ . 1 . 2]" 1 2726 1 12 LEU QD 1 111 MET QG . . 4.640 2.946 2.442 3.285 . 0 0 "[ . 1 . 2]" 1 2727 1 12 LEU QD 1 111 MET ME . . 3.620 3.229 3.007 3.470 . 0 0 "[ . 1 . 2]" 1 2728 1 12 LEU QD 1 114 PHE H . . 4.750 4.495 4.105 4.743 . 0 0 "[ . 1 . 2]" 1 2729 1 12 LEU QD 1 114 PHE HA . . 5.180 4.607 4.194 4.957 . 0 0 "[ . 1 . 2]" 1 2730 1 12 LEU QD 1 114 PHE HB3 . . 3.630 3.218 2.764 3.551 . 0 0 "[ . 1 . 2]" 1 2731 1 12 LEU QD 1 114 PHE QD . . 3.450 2.633 2.307 2.962 . 0 0 "[ . 1 . 2]" 1 2732 1 12 LEU QD 1 114 PHE QE . . 4.330 3.083 2.820 3.320 . 0 0 "[ . 1 . 2]" 1 2733 1 13 SER H 1 13 SER QB . . 3.250 2.479 2.190 3.003 . 0 0 "[ . 1 . 2]" 1 2734 1 13 SER H 1 14 ARG QB . . 4.510 4.277 4.174 4.474 . 0 0 "[ . 1 . 2]" 1 2735 1 13 SER H 1 14 ARG QG . . 4.830 3.962 3.728 4.169 . 0 0 "[ . 1 . 2]" 1 2736 1 13 SER QB 1 14 ARG H . . 3.600 2.464 1.987 3.283 . 0 0 "[ . 1 . 2]" 1 2737 1 14 ARG H 1 14 ARG QB . . 2.990 2.492 2.386 2.606 . 0 0 "[ . 1 . 2]" 1 2738 1 14 ARG H 1 14 ARG QG . . 4.250 2.196 1.923 2.462 . 0 0 "[ . 1 . 2]" 1 2739 1 14 ARG HA 1 14 ARG QG . . 3.280 2.370 2.246 2.507 . 0 0 "[ . 1 . 2]" 1 2740 1 14 ARG QB 1 14 ARG QD . . 3.210 2.075 1.977 2.230 . 0 0 "[ . 1 . 2]" 1 2741 1 14 ARG QB 1 15 ASN H . . 3.450 2.380 2.270 2.625 . 0 0 "[ . 1 . 2]" 1 2742 1 14 ARG QB 1 15 ASN HD21 . . 5.180 3.137 2.785 4.112 . 0 0 "[ . 1 . 2]" 1 2743 1 14 ARG QB 1 15 ASN HD22 . . 4.820 2.919 2.638 3.756 . 0 0 "[ . 1 . 2]" 1 2744 1 14 ARG QB 1 46 ASP QB . . 4.290 3.982 3.475 4.289 . 0 0 "[ . 1 . 2]" 1 2745 1 14 ARG QG 1 15 ASN H . . 4.060 3.961 3.857 4.050 . 0 0 "[ . 1 . 2]" 1 2746 1 14 ARG QD 1 15 ASN HD22 . . 4.770 4.070 3.665 4.774 0.004 10 0 "[ . 1 . 2]" 1 2747 1 14 ARG QD 1 46 ASP QB . . 3.810 3.491 3.162 3.810 . 17 0 "[ . 1 . 2]" 1 2748 1 15 ASN H 1 15 ASN QB . . 3.220 2.752 2.669 3.061 . 0 0 "[ . 1 . 2]" 1 2749 1 15 ASN QB 1 15 ASN HD22 . . 3.440 3.283 3.221 3.309 . 0 0 "[ . 1 . 2]" 1 2750 1 15 ASN QB 1 16 GLY H . . 4.320 3.891 3.765 3.980 . 0 0 "[ . 1 . 2]" 1 2751 1 15 ASN QB 1 18 ALA H . . 4.540 3.859 3.747 4.047 . 0 0 "[ . 1 . 2]" 1 2752 1 15 ASN QB 1 18 ALA MB . . 3.370 2.155 1.997 2.509 . 0 0 "[ . 1 . 2]" 1 2753 1 15 ASN QB 1 19 LEU H . . 4.130 3.103 3.011 3.189 . 0 0 "[ . 1 . 2]" 1 2754 1 15 ASN QB 1 19 LEU MD1 . . 3.740 2.086 1.956 2.976 . 0 0 "[ . 1 . 2]" 1 2755 1 15 ASN QB 1 19 LEU MD2 . . 4.070 3.324 2.895 3.466 . 0 0 "[ . 1 . 2]" 1 2756 1 15 ASN QB 1 48 ARG HB3 . . 5.100 3.333 3.012 3.751 . 0 0 "[ . 1 . 2]" 1 2757 1 15 ASN QB 1 49 VAL H . . 4.960 3.575 3.275 3.886 . 0 0 "[ . 1 . 2]" 1 2758 1 15 ASN QB 1 49 VAL QG . . 4.730 3.784 3.462 4.121 . 0 0 "[ . 1 . 2]" 1 2759 1 15 ASN HD22 1 41 GLU QG . . 4.490 3.356 2.713 4.490 . 0 0 "[ . 1 . 2]" 1 2760 1 15 ASN HD22 1 46 ASP QB . . 5.230 3.349 2.573 4.030 . 0 0 "[ . 1 . 2]" 1 2761 1 15 ASN HD22 1 48 ARG QD . . 5.340 4.195 3.010 5.342 0.002 18 0 "[ . 1 . 2]" 1 2762 1 17 PRO HA 1 17 PRO QG . . 3.510 2.899 2.893 2.901 . 0 0 "[ . 1 . 2]" 1 2763 1 17 PRO HA 1 20 GLN QG . . 4.740 4.404 4.045 4.706 . 0 0 "[ . 1 . 2]" 1 2764 1 17 PRO QG 1 18 ALA H . . 3.920 3.738 3.648 3.831 . 0 0 "[ . 1 . 2]" 1 2765 1 18 ALA HA 1 49 VAL QG . . 4.620 3.742 3.228 4.295 . 0 0 "[ . 1 . 2]" 1 2766 1 18 ALA MB 1 49 VAL QG . . 3.010 2.304 1.936 2.677 . 0 0 "[ . 1 . 2]" 1 2767 1 19 LEU H 1 49 VAL QG . . 4.200 3.561 3.054 4.096 . 0 0 "[ . 1 . 2]" 1 2768 1 19 LEU HA 1 49 VAL QG . . 3.360 2.490 2.021 3.342 . 0 0 "[ . 1 . 2]" 1 2769 1 19 LEU HB2 1 49 VAL QG . . 5.440 4.670 4.242 5.351 . 0 0 "[ . 1 . 2]" 1 2770 1 19 LEU HG 1 49 VAL QG . . 4.330 3.370 2.934 4.047 . 0 0 "[ . 1 . 2]" 1 2771 1 19 LEU MD2 1 49 VAL QG . . 3.410 2.698 2.130 3.410 . 0 0 "[ . 1 . 2]" 1 2772 1 20 GLN H 1 20 GLN QG . . 4.470 3.962 3.939 4.004 . 0 0 "[ . 1 . 2]" 1 2773 1 20 GLN HA 1 20 GLN QG . . 3.520 2.576 2.515 3.125 . 0 0 "[ . 1 . 2]" 1 2774 1 20 GLN HA 1 24 VAL QG . . 4.850 3.900 3.620 4.482 . 0 0 "[ . 1 . 2]" 1 2775 1 20 GLN HB2 1 24 VAL QG . . 5.440 4.600 4.387 5.178 . 0 0 "[ . 1 . 2]" 1 2776 1 20 GLN HB3 1 24 VAL QG . . 5.440 4.152 3.940 4.552 . 0 0 "[ . 1 . 2]" 1 2777 1 20 GLN QG 1 21 GLU H . . 4.560 3.507 3.322 3.922 . 0 0 "[ . 1 . 2]" 1 2778 1 20 GLN QG 1 21 GLU HA . . 4.660 3.455 3.321 3.938 . 0 0 "[ . 1 . 2]" 1 2779 1 20 GLN QG 1 23 TYR QD . . 4.720 3.449 3.138 4.344 . 0 0 "[ . 1 . 2]" 1 2780 1 20 GLN QG 1 24 VAL H . . 5.040 3.889 3.515 4.083 . 0 0 "[ . 1 . 2]" 1 2781 1 20 GLN QG 1 24 VAL QG . . 3.470 2.252 1.935 2.962 . 0 0 "[ . 1 . 2]" 1 2782 1 20 GLN HG2 1 24 VAL MG1 . . 5.500 4.256 2.757 4.833 . 0 0 "[ . 1 . 2]" 1 2783 1 20 GLN QG 1 114 PHE QE . . 4.740 3.494 3.108 4.281 . 0 0 "[ . 1 . 2]" 1 2784 1 20 GLN QE 1 24 VAL HB . . 5.340 4.602 2.051 5.321 . 0 0 "[ . 1 . 2]" 1 2785 1 20 GLN QE 1 24 VAL QG . . 3.580 2.769 1.873 3.385 . 0 0 "[ . 1 . 2]" 1 2786 1 21 GLU H 1 24 VAL QG . . 5.080 3.986 3.858 4.291 . 0 0 "[ . 1 . 2]" 1 2787 1 21 GLU HA 1 24 VAL QG . . 3.450 2.398 1.886 2.787 . 0 0 "[ . 1 . 2]" 1 2788 1 22 ALA H 1 49 VAL QG . . 4.100 3.499 3.294 3.870 . 0 0 "[ . 1 . 2]" 1 2789 1 22 ALA MB 1 26 VAL QG . . 4.330 3.585 3.343 3.907 . 0 0 "[ . 1 . 2]" 1 2790 1 23 TYR H 1 24 VAL QG . . 4.620 3.762 3.468 4.139 . 0 0 "[ . 1 . 2]" 1 2791 1 23 TYR H 1 26 VAL QG . . 5.070 4.643 4.455 4.680 . 0 0 "[ . 1 . 2]" 1 2792 1 23 TYR HA 1 26 VAL QG . . 3.860 3.101 2.784 3.212 . 0 0 "[ . 1 . 2]" 1 2793 1 23 TYR HB2 1 24 VAL QG . . 5.440 4.867 4.689 5.256 . 0 0 "[ . 1 . 2]" 1 2794 1 23 TYR HB3 1 24 VAL QG . . 4.330 3.538 3.283 4.112 . 0 0 "[ . 1 . 2]" 1 2795 1 23 TYR QD 1 24 VAL QG . . 3.560 3.121 2.429 3.600 0.040 14 0 "[ . 1 . 2]" 1 2796 1 23 TYR QD 1 26 VAL QG . . 5.110 4.137 3.643 4.688 . 0 0 "[ . 1 . 2]" 1 2797 1 23 TYR QE 1 24 VAL QG . . 5.000 4.252 3.871 4.428 . 0 0 "[ . 1 . 2]" 1 2798 1 23 TYR QE 1 88 LEU QD . . 5.440 4.798 4.550 5.187 . 0 0 "[ . 1 . 2]" 1 2799 1 23 TYR QE 1 116 LYS QG . . 5.340 5.291 5.118 5.341 0.001 13 0 "[ . 1 . 2]" 1 2800 1 24 VAL H 1 24 VAL QG . . 2.900 2.319 2.163 2.430 . 0 0 "[ . 1 . 2]" 1 2801 1 24 VAL QG 1 25 ARG HG3 . . 4.530 3.458 2.724 3.823 . 0 0 "[ . 1 . 2]" 1 2802 1 24 VAL QG 1 25 ARG HD2 . . 5.110 4.931 4.362 5.113 0.003 8 0 "[ . 1 . 2]" 1 2803 1 24 VAL QG 1 27 VAL H . . 4.570 4.399 4.354 4.449 . 0 0 "[ . 1 . 2]" 1 2804 1 24 VAL QG 1 27 VAL MG1 . . 5.190 4.239 4.179 4.295 . 0 0 "[ . 1 . 2]" 1 2805 1 24 VAL QG 1 28 THR H . . 4.420 4.076 3.954 4.189 . 0 0 "[ . 1 . 2]" 1 2806 1 24 VAL QG 1 28 THR HB . . 4.190 3.535 3.308 3.803 . 0 0 "[ . 1 . 2]" 1 2807 1 24 VAL QG 1 28 THR HG1 . . 3.810 2.380 2.001 3.318 . 0 0 "[ . 1 . 2]" 1 2808 1 25 ARG H 1 26 VAL QG . . 4.620 3.923 3.879 4.005 . 0 0 "[ . 1 . 2]" 1 2809 1 26 VAL H 1 26 VAL QG . . 2.910 1.977 1.921 2.056 . 0 0 "[ . 1 . 2]" 1 2810 1 26 VAL HA 1 26 VAL QG . . 2.970 2.135 2.105 2.153 . 0 0 "[ . 1 . 2]" 1 2811 1 26 VAL HA 1 75 ARG QB . . 5.240 3.906 3.739 4.257 . 0 0 "[ . 1 . 2]" 1 2812 1 26 VAL HA 1 75 ARG QH1 . . 4.830 4.709 4.462 4.830 0.000 6 0 "[ . 1 . 2]" 1 2813 1 26 VAL QG 1 27 VAL H . . 3.720 3.334 3.177 3.406 . 0 0 "[ . 1 . 2]" 1 2814 1 26 VAL QG 1 27 VAL HA . . 4.210 3.526 3.370 3.577 . 0 0 "[ . 1 . 2]" 1 2815 1 26 VAL QG 1 27 VAL MG1 . . 3.840 3.133 3.049 3.262 . 0 0 "[ . 1 . 2]" 1 2816 1 26 VAL QG 1 27 VAL MG2 . . 4.640 4.254 4.213 4.306 . 0 0 "[ . 1 . 2]" 1 2817 1 26 VAL QG 1 33 THR HB . . 4.540 3.543 3.477 3.688 . 0 0 "[ . 1 . 2]" 1 2818 1 26 VAL QG 1 35 TRP H . . 4.240 3.480 3.289 3.562 . 0 0 "[ . 1 . 2]" 1 2819 1 26 VAL QG 1 35 TRP HA . . 3.650 2.808 2.483 2.987 . 0 0 "[ . 1 . 2]" 1 2820 1 26 VAL QG 1 36 ALA H . . 4.280 3.531 3.391 3.683 . 0 0 "[ . 1 . 2]" 1 2821 1 26 VAL QG 1 36 ALA MB . . 2.740 1.835 1.766 2.130 . 0 0 "[ . 1 . 2]" 1 2822 1 26 VAL QG 1 73 PHE HB2 . . 4.400 3.961 3.812 4.287 . 0 0 "[ . 1 . 2]" 1 2823 1 26 VAL QG 1 73 PHE HB3 . . 4.090 2.680 2.528 2.941 . 0 0 "[ . 1 . 2]" 1 2824 1 26 VAL QG 1 73 PHE QD . . 3.170 2.052 1.921 2.341 . 0 0 "[ . 1 . 2]" 1 2825 1 26 VAL QG 1 73 PHE QE . . 3.730 2.782 2.612 3.056 . 0 0 "[ . 1 . 2]" 1 2826 1 26 VAL QG 1 74 CYS H . . 4.640 4.046 3.859 4.184 . 0 0 "[ . 1 . 2]" 1 2827 1 26 VAL QG 1 74 CYS HA . . 3.640 2.916 2.731 3.049 . 0 0 "[ . 1 . 2]" 1 2828 1 26 VAL QG 1 75 ARG H . . 3.910 3.420 3.154 3.647 . 0 0 "[ . 1 . 2]" 1 2829 1 26 VAL QG 1 75 ARG QB . . 3.140 2.141 1.866 2.482 . 0 0 "[ . 1 . 2]" 1 2830 1 26 VAL QG 1 75 ARG QD . . 4.270 3.500 3.089 3.765 . 0 0 "[ . 1 . 2]" 1 2831 1 26 VAL QG 1 75 ARG QH1 . . 5.280 4.492 3.899 4.783 . 0 0 "[ . 1 . 2]" 1 2832 1 26 VAL QG 1 86 PHE QD . . 3.860 3.399 3.087 3.555 . 0 0 "[ . 1 . 2]" 1 2833 1 28 THR HA 1 29 GLU QB . . 4.550 4.357 4.049 4.528 . 0 0 "[ . 1 . 2]" 1 2834 1 28 THR HB 1 31 SER QB . . 3.760 3.541 3.379 3.625 . 0 0 "[ . 1 . 2]" 1 2835 1 28 THR MG 1 30 LYS QB . . 4.160 1.917 1.842 2.127 . 0 0 "[ . 1 . 2]" 1 2836 1 28 THR MG 1 31 SER QB . . 3.450 3.052 2.743 3.192 . 0 0 "[ . 1 . 2]" 1 2837 1 29 GLU H 1 29 GLU QB . . 3.040 2.454 2.110 2.669 . 0 0 "[ . 1 . 2]" 1 2838 1 29 GLU H 1 29 GLU QG . . 3.780 2.441 2.001 3.775 . 0 0 "[ . 1 . 2]" 1 2839 1 29 GLU QB 1 30 LYS H . . 4.120 3.530 3.021 3.673 . 0 0 "[ . 1 . 2]" 1 2840 1 29 GLU QG 1 30 LYS H . . 4.770 2.860 2.257 4.691 . 0 0 "[ . 1 . 2]" 1 2841 1 30 LYS H 1 30 LYS QB . . 3.420 2.114 2.066 2.162 . 0 0 "[ . 1 . 2]" 1 2842 1 30 LYS H 1 30 LYS QG . . 4.470 3.871 3.699 4.019 . 0 0 "[ . 1 . 2]" 1 2843 1 30 LYS HA 1 30 LYS QG . . 3.290 2.243 2.118 2.457 . 0 0 "[ . 1 . 2]" 1 2844 1 30 LYS HA 1 30 LYS QD . . 4.440 3.388 2.585 4.081 . 0 0 "[ . 1 . 2]" 1 2845 1 30 LYS QB 1 30 LYS QD . . 3.260 2.069 1.950 2.237 . 0 0 "[ . 1 . 2]" 1 2846 1 30 LYS QE 1 30 LYS QG . . 3.320 2.098 1.966 2.384 . 0 0 "[ . 1 . 2]" 1 2847 1 30 LYS QG 1 31 SER H . . 4.680 3.986 3.832 4.186 . 0 0 "[ . 1 . 2]" 1 2848 1 31 SER H 1 31 SER QB . . 2.730 2.135 2.115 2.214 . 0 0 "[ . 1 . 2]" 1 2849 1 31 SER HA 1 32 PRO QD . . 3.190 2.059 2.042 2.085 . 0 0 "[ . 1 . 2]" 1 2850 1 31 SER QB 1 33 THR H . . 4.580 4.486 4.465 4.512 . 0 0 "[ . 1 . 2]" 1 2851 1 31 SER QB 1 33 THR HG1 . . 4.480 2.825 2.796 2.855 . 0 0 "[ . 1 . 2]" 1 2852 1 32 PRO QD 1 33 THR H . . 5.060 4.642 4.629 4.660 . 0 0 "[ . 1 . 2]" 1 2853 1 32 PRO HA 1 54 GLU QG . . 3.930 2.436 1.998 3.073 . 0 0 "[ . 1 . 2]" 1 2854 1 32 PRO QB 1 33 THR H . . 4.050 3.739 3.739 3.740 . 0 0 "[ . 1 . 2]" 1 2855 1 33 THR H 1 54 GLU QG . . 3.210 2.567 2.149 3.205 . 0 0 "[ . 1 . 2]" 1 2856 1 33 THR HA 1 54 GLU QB . . 4.420 3.814 3.648 4.018 . 0 0 "[ . 1 . 2]" 1 2857 1 33 THR HA 1 54 GLU QG . . 3.240 2.746 1.976 3.240 0.000 7 0 "[ . 1 . 2]" 1 2858 1 34 ASP H 1 54 GLU QB . . 4.810 3.987 3.757 4.361 . 0 0 "[ . 1 . 2]" 1 2859 1 34 ASP H 1 54 GLU QG . . 4.130 2.830 2.486 3.235 . 0 0 "[ . 1 . 2]" 1 2860 1 34 ASP QB 1 54 GLU QG . . 4.070 2.754 2.092 3.876 . 0 0 "[ . 1 . 2]" 1 2861 1 34 ASP QB 1 56 GLY H . . 4.810 2.380 2.098 2.576 . 0 0 "[ . 1 . 2]" 1 2862 1 34 ASP QB 1 75 ARG H . . 5.100 4.678 4.003 4.937 . 0 0 "[ . 1 . 2]" 1 2863 1 35 TRP H 1 54 GLU QG . . 5.160 4.604 4.513 4.869 . 0 0 "[ . 1 . 2]" 1 2864 1 35 TRP QB 1 35 TRP HE3 . . 3.590 2.502 2.479 2.549 . 0 0 "[ . 1 . 2]" 1 2865 1 35 TRP QB 1 36 ALA H . . 3.230 2.076 2.007 2.156 . 0 0 "[ . 1 . 2]" 1 2866 1 35 TRP QB 1 60 MET HB3 . . 5.260 3.504 3.393 3.646 . 0 0 "[ . 1 . 2]" 1 2867 1 35 TRP QB 1 60 MET QG . . 3.700 2.338 1.973 2.592 . 0 0 "[ . 1 . 2]" 1 2868 1 35 TRP QB 1 60 MET ME . . 4.080 3.462 3.263 3.627 . 0 0 "[ . 1 . 2]" 1 2869 1 35 TRP QB 1 72 ALA MB . . 4.720 4.087 3.799 4.337 . 0 0 "[ . 1 . 2]" 1 2870 1 35 TRP QB 1 74 CYS HA . . 4.070 3.171 2.907 3.455 . 0 0 "[ . 1 . 2]" 1 2871 1 35 TRP QB 1 74 CYS QB . . 4.790 3.568 3.256 3.950 . 0 0 "[ . 1 . 2]" 1 2872 1 35 TRP HD1 1 56 GLY QA . . 3.880 3.223 3.042 3.333 . 0 0 "[ . 1 . 2]" 1 2873 1 35 TRP HE3 1 37 LEU QD . . 4.280 2.845 2.418 3.836 . 0 0 "[ . 1 . 2]" 1 2874 1 35 TRP HE3 1 60 MET QG . . 3.880 2.974 2.508 3.402 . 0 0 "[ . 1 . 2]" 1 2875 1 35 TRP HE1 1 56 GLY QA . . 5.340 4.848 4.697 4.966 . 0 0 "[ . 1 . 2]" 1 2876 1 35 TRP HE1 1 59 GLU QG . . 3.920 2.835 2.512 3.240 . 0 0 "[ . 1 . 2]" 1 2877 1 35 TRP HZ3 1 37 LEU QD . . 3.790 2.998 2.872 3.153 . 0 0 "[ . 1 . 2]" 1 2878 1 35 TRP HZ3 1 60 MET QG . . 5.340 4.400 4.115 4.782 . 0 0 "[ . 1 . 2]" 1 2879 1 35 TRP HZ2 1 59 GLU QG . . 3.330 2.653 2.012 3.177 . 0 0 "[ . 1 . 2]" 1 2880 1 35 TRP HH2 1 37 LEU QD . . 4.970 4.321 3.969 4.608 . 0 0 "[ . 1 . 2]" 1 2881 1 36 ALA HA 1 49 VAL QG . . 4.850 4.509 4.052 4.696 . 0 0 "[ . 1 . 2]" 1 2882 1 36 ALA MB 1 49 VAL QG . . 4.000 3.817 3.363 4.000 0.000 14 0 "[ . 1 . 2]" 1 2883 1 37 LEU H 1 37 LEU QD . . 4.340 3.324 3.132 3.707 . 0 0 "[ . 1 . 2]" 1 2884 1 37 LEU H 1 49 VAL QG . . 4.080 3.911 3.467 4.080 0.000 19 0 "[ . 1 . 2]" 1 2885 1 37 LEU HA 1 37 LEU QD . . 3.090 2.175 1.960 2.312 . 0 0 "[ . 1 . 2]" 1 2886 1 37 LEU HB2 1 37 LEU QD . . 2.870 2.098 2.065 2.194 . 0 0 "[ . 1 . 2]" 1 2887 1 37 LEU QD 1 38 PHE H . . 3.450 3.246 2.104 3.450 . 0 0 "[ . 1 . 2]" 1 2888 1 37 LEU QD 1 39 THR MG . . 5.000 4.429 4.150 4.704 . 0 0 "[ . 1 . 2]" 1 2889 1 37 LEU QD 1 50 ALA H . . 5.440 4.757 4.504 4.960 . 0 0 "[ . 1 . 2]" 1 2890 1 37 LEU QD 1 50 ALA MB . . 3.290 2.624 2.287 2.963 . 0 0 "[ . 1 . 2]" 1 2891 1 37 LEU QD 1 51 GLY H . . 4.720 4.209 4.055 4.393 . 0 0 "[ . 1 . 2]" 1 2892 1 37 LEU QD 1 60 MET HA . . 5.440 3.530 3.246 3.903 . 0 0 "[ . 1 . 2]" 1 2893 1 37 LEU QD 1 60 MET HB2 . . 5.440 4.349 4.015 4.986 . 0 0 "[ . 1 . 2]" 1 2894 1 37 LEU QD 1 60 MET QG . . 3.730 2.359 2.137 3.065 . 0 0 "[ . 1 . 2]" 1 2895 1 37 LEU MD2 1 60 MET HG2 . . 6.000 4.011 2.632 4.835 . 0 0 "[ . 1 . 2]" 1 2896 1 37 LEU QD 1 61 VAL HA . . 5.140 4.131 3.685 4.358 . 0 0 "[ . 1 . 2]" 1 2897 1 37 LEU QD 1 63 GLU H . . 4.410 3.698 3.160 3.821 . 0 0 "[ . 1 . 2]" 1 2898 1 37 LEU QD 1 63 GLU HA . . 4.850 3.904 3.754 4.450 . 0 0 "[ . 1 . 2]" 1 2899 1 37 LEU QD 1 63 GLU HB2 . . 3.210 2.260 1.932 2.563 . 0 0 "[ . 1 . 2]" 1 2900 1 37 LEU QD 1 63 GLU HB3 . . 3.290 2.039 1.890 2.941 . 0 0 "[ . 1 . 2]" 1 2901 1 37 LEU QD 1 63 GLU HG2 . . 4.460 4.187 4.057 4.458 . 0 0 "[ . 1 . 2]" 1 2902 1 37 LEU QD 1 63 GLU HG3 . . 4.210 3.539 3.375 3.741 . 0 0 "[ . 1 . 2]" 1 2903 1 37 LEU QD 1 64 LEU H . . 4.440 3.022 2.663 3.173 . 0 0 "[ . 1 . 2]" 1 2904 1 37 LEU QD 1 64 LEU HA . . 4.000 2.518 2.277 2.982 . 0 0 "[ . 1 . 2]" 1 2905 1 37 LEU QD 1 64 LEU QD . . 2.750 1.839 1.666 2.050 . 0 0 "[ . 1 . 2]" 1 2906 1 37 LEU QD 1 65 ASN H . . 4.600 3.709 3.515 4.114 . 0 0 "[ . 1 . 2]" 1 2907 1 37 LEU QD 1 70 MET HB2 . . 4.170 3.338 2.500 3.707 . 0 0 "[ . 1 . 2]" 1 2908 1 37 LEU QD 1 70 MET HB3 . . 3.660 3.221 1.997 3.629 . 0 0 "[ . 1 . 2]" 1 2909 1 37 LEU QD 1 70 MET HG3 . . 5.440 4.539 3.938 4.887 . 0 0 "[ . 1 . 2]" 1 2910 1 37 LEU QD 1 70 MET ME . . 2.800 1.863 1.818 1.924 . 0 0 "[ . 1 . 2]" 1 2911 1 37 LEU QD 1 71 TYR H . . 4.070 3.847 2.581 4.069 . 0 0 "[ . 1 . 2]" 1 2912 1 37 LEU QD 1 71 TYR HB2 . . 5.440 5.064 4.175 5.314 . 0 0 "[ . 1 . 2]" 1 2913 1 37 LEU QD 1 72 ALA H . . 4.410 3.886 3.629 4.227 . 0 0 "[ . 1 . 2]" 1 2914 1 37 LEU QD 1 72 ALA HA . . 3.420 2.326 2.070 2.846 . 0 0 "[ . 1 . 2]" 1 2915 1 37 LEU QD 1 72 ALA MB . . 3.100 2.190 1.895 2.665 . 0 0 "[ . 1 . 2]" 1 2916 1 37 LEU QD 1 73 PHE H . . 4.390 3.739 3.523 4.390 . 8 0 "[ . 1 . 2]" 1 2917 1 37 LEU QD 1 91 TRP HB3 . . 4.850 4.505 4.022 4.804 . 0 0 "[ . 1 . 2]" 1 2918 1 38 PHE HA 1 49 VAL QG . . 4.240 3.813 3.576 3.921 . 0 0 "[ . 1 . 2]" 1 2919 1 38 PHE QD 1 49 VAL QG . . 4.050 2.803 2.220 3.538 . 0 0 "[ . 1 . 2]" 1 2920 1 38 PHE QE 1 49 VAL QG . . 3.740 2.476 1.915 3.088 . 0 0 "[ . 1 . 2]" 1 2921 1 38 PHE HZ 1 49 VAL QG . . 5.280 4.004 3.574 4.482 . 0 0 "[ . 1 . 2]" 1 2922 1 39 THR H 1 48 ARG QG . . 3.990 3.457 3.261 3.604 . 0 0 "[ . 1 . 2]" 1 2923 1 39 THR H 1 48 ARG QD . . 5.340 5.178 4.680 5.341 0.001 10 0 "[ . 1 . 2]" 1 2924 1 39 THR MG 1 48 ARG QG . . 3.610 3.022 2.833 3.282 . 0 0 "[ . 1 . 2]" 1 2925 1 39 THR MG 1 48 ARG QD . . 4.100 3.854 3.418 4.100 0.000 1 0 "[ . 1 . 2]" 1 2926 1 39 THR MG 1 68 LYS QD . . 5.040 4.882 4.445 5.037 . 0 0 "[ . 1 . 2]" 1 2927 1 39 THR MG 1 68 LYS QE . . 3.940 3.811 3.568 3.940 . 0 0 "[ . 1 . 2]" 1 2928 1 40 TYR HB3 1 41 GLU QB . . 5.340 4.158 3.998 4.323 . 0 0 "[ . 1 . 2]" 1 2929 1 40 TYR QD 1 69 VAL QG . . 4.620 4.297 3.984 4.486 . 0 0 "[ . 1 . 2]" 1 2930 1 40 TYR QE 1 45 ASN QB . . 4.930 3.802 3.198 4.533 . 0 0 "[ . 1 . 2]" 1 2931 1 40 TYR QE 1 69 VAL QG . . 3.130 2.956 2.461 3.130 0.000 10 0 "[ . 1 . 2]" 1 2932 1 40 TYR QE 1 104 CYS QB . . 5.090 4.043 3.561 4.991 . 0 0 "[ . 1 . 2]" 1 2933 1 41 GLU H 1 41 GLU QG . . 3.940 3.627 3.363 3.940 0.000 19 0 "[ . 1 . 2]" 1 2934 1 41 GLU H 1 46 ASP QB . . 3.830 3.378 2.930 3.821 . 0 0 "[ . 1 . 2]" 1 2935 1 41 GLU HA 1 48 ARG QG . . 5.220 2.751 2.360 3.917 . 0 0 "[ . 1 . 2]" 1 2936 1 41 GLU HA 1 48 ARG QD . . 3.500 2.688 1.998 3.311 . 0 0 "[ . 1 . 2]" 1 2937 1 41 GLU QB 1 44 SER H . . 4.710 4.439 3.508 4.711 0.001 11 0 "[ . 1 . 2]" 1 2938 1 41 GLU QB 1 44 SER HG . . 4.340 3.973 2.644 4.333 . 0 0 "[ . 1 . 2]" 1 2939 1 41 GLU QB 1 46 ASP QB . . 3.480 2.596 1.922 3.262 . 0 0 "[ . 1 . 2]" 1 2940 1 41 GLU QB 1 48 ARG QD . . 4.200 3.775 2.692 4.200 . 0 0 "[ . 1 . 2]" 1 2941 1 41 GLU QG 1 46 ASP QB . . 4.200 3.567 2.805 3.972 . 0 0 "[ . 1 . 2]" 1 2942 1 41 GLU QG 1 48 ARG QG . . 4.700 2.706 1.983 4.179 . 0 0 "[ . 1 . 2]" 1 2943 1 41 GLU QG 1 48 ARG QD . . 3.980 2.209 1.885 2.871 . 0 0 "[ . 1 . 2]" 1 2944 1 42 GLY QA 1 44 SER H . . 4.490 3.757 3.563 4.267 . 0 0 "[ . 1 . 2]" 1 2945 1 44 SER H 1 46 ASP QB . . 5.340 4.884 4.472 5.340 0.000 8 0 "[ . 1 . 2]" 1 2946 1 44 SER HB2 1 45 ASN QB . . 5.250 4.403 4.020 4.835 . 0 0 "[ . 1 . 2]" 1 2947 1 45 ASN H 1 45 ASN QB . . 3.150 2.611 2.435 2.701 . 0 0 "[ . 1 . 2]" 1 2948 1 45 ASN H 1 45 ASN QD . . 4.160 3.475 3.070 3.945 . 0 0 "[ . 1 . 2]" 1 2949 1 45 ASN QB 1 45 ASN QD . . 2.940 2.145 2.076 2.221 . 0 0 "[ . 1 . 2]" 1 2950 1 45 ASN QB 1 46 ASP H . . 4.250 3.510 3.505 3.515 . 0 0 "[ . 1 . 2]" 1 2951 1 45 ASN QB 1 107 HIS HE1 . . 3.780 2.309 1.992 2.939 . 0 0 "[ . 1 . 2]" 1 2952 1 45 ASN QD 1 107 HIS HE1 . . 4.060 3.480 1.944 4.058 . 0 0 "[ . 1 . 2]" 1 2953 1 46 ASP H 1 46 ASP QB . . 3.130 2.958 2.940 2.985 . 0 0 "[ . 1 . 2]" 1 2954 1 47 ILE MD 1 111 MET QG . . 4.560 3.484 3.205 3.864 . 0 0 "[ . 1 . 2]" 1 2955 1 48 ARG H 1 48 ARG QG . . 3.460 2.475 2.352 2.562 . 0 0 "[ . 1 . 2]" 1 2956 1 48 ARG HA 1 49 VAL QG . . 4.620 3.748 3.628 3.917 . 0 0 "[ . 1 . 2]" 1 2957 1 48 ARG HB2 1 48 ARG QD . . 3.490 2.456 1.983 3.364 . 0 0 "[ . 1 . 2]" 1 2958 1 48 ARG QG 1 49 VAL H . . 4.670 3.647 2.675 4.207 . 0 0 "[ . 1 . 2]" 1 2959 1 48 ARG QG 1 50 ALA HA . . 5.050 4.530 4.182 4.762 . 0 0 "[ . 1 . 2]" 1 2960 1 48 ARG QD 1 50 ALA MB . . 5.340 5.149 4.524 5.343 0.003 16 0 "[ . 1 . 2]" 1 2961 1 49 VAL H 1 49 VAL QG . . 2.980 2.194 1.959 2.454 . 0 0 "[ . 1 . 2]" 1 2962 1 49 VAL HA 1 49 VAL QG . . 2.890 2.106 2.042 2.307 . 0 0 "[ . 1 . 2]" 1 2963 1 49 VAL QG 1 50 ALA H . . 3.370 2.234 1.998 2.680 . 0 0 "[ . 1 . 2]" 1 2964 1 49 VAL QG 1 50 ALA HA . . 4.420 3.609 3.476 3.806 . 0 0 "[ . 1 . 2]" 1 2965 1 49 VAL QG 1 51 GLY H . . 2.960 2.488 2.339 2.619 . 0 0 "[ . 1 . 2]" 1 2966 1 49 VAL QG 1 51 GLY HA2 . . 3.760 3.354 2.861 3.553 . 0 0 "[ . 1 . 2]" 1 2967 1 49 VAL QG 1 52 THR H . . 4.310 4.239 4.041 4.312 0.002 19 0 "[ . 1 . 2]" 1 2968 1 53 GLY HA2 1 54 GLU QB . . 4.740 4.185 3.991 4.592 . 0 0 "[ . 1 . 2]" 1 2969 1 53 GLY HA2 1 54 GLU QG . . 5.340 4.563 3.592 5.014 . 0 0 "[ . 1 . 2]" 1 2970 1 54 GLU H 1 54 GLU QB . . 3.180 2.427 2.241 2.807 . 0 0 "[ . 1 . 2]" 1 2971 1 54 GLU QB 1 55 GLY H . . 4.250 3.752 3.732 3.813 . 0 0 "[ . 1 . 2]" 1 2972 1 56 GLY QA 1 57 LEU H . . 2.930 2.194 2.150 2.268 . 0 0 "[ . 1 . 2]" 1 2973 1 56 GLY QA 1 57 LEU HA . . 4.490 3.937 3.930 3.957 . 0 0 "[ . 1 . 2]" 1 2974 1 56 GLY QA 1 57 LEU HB2 . . 5.340 4.433 4.335 4.554 . 0 0 "[ . 1 . 2]" 1 2975 1 57 LEU H 1 57 LEU QD . . 3.480 2.761 2.341 3.086 . 0 0 "[ . 1 . 2]" 1 2976 1 57 LEU HA 1 57 LEU QD . . 3.140 2.744 2.502 2.978 . 0 0 "[ . 1 . 2]" 1 2977 1 57 LEU HA 1 60 MET QG . . 4.910 4.190 3.925 4.398 . 0 0 "[ . 1 . 2]" 1 2978 1 57 LEU HA 1 61 VAL QG . . 4.460 3.621 3.369 3.832 . 0 0 "[ . 1 . 2]" 1 2979 1 57 LEU HB2 1 61 VAL QG . . 5.140 4.120 3.825 4.397 . 0 0 "[ . 1 . 2]" 1 2980 1 57 LEU QD 1 58 GLU H . . 4.440 3.896 3.531 4.094 . 0 0 "[ . 1 . 2]" 1 2981 1 57 LEU QD 1 58 GLU QG . . 5.280 4.309 3.850 4.683 . 0 0 "[ . 1 . 2]" 1 2982 1 57 LEU QD 1 60 MET HB3 . . 4.860 3.856 3.659 4.071 . 0 0 "[ . 1 . 2]" 1 2983 1 57 LEU QD 1 60 MET ME . . 3.430 2.042 1.924 2.154 . 0 0 "[ . 1 . 2]" 1 2984 1 57 LEU QD 1 74 CYS H . . 5.440 4.740 4.519 4.973 . 0 0 "[ . 1 . 2]" 1 2985 1 57 LEU QD 1 74 CYS QB . . 3.280 2.511 2.325 2.793 . 0 0 "[ . 1 . 2]" 1 2986 1 57 LEU QD 1 76 VAL H . . 5.440 5.254 5.102 5.440 0.000 13 0 "[ . 1 . 2]" 1 2987 1 57 LEU QD 1 76 VAL HB . . 5.380 4.308 4.044 4.533 . 0 0 "[ . 1 . 2]" 1 2988 1 57 LEU QD 1 76 VAL MG2 . . 4.210 3.459 3.261 3.635 . 0 0 "[ . 1 . 2]" 1 2989 1 57 LEU QD 1 131 GLU HA . . 5.440 4.774 4.660 4.940 . 0 0 "[ . 1 . 2]" 1 2990 1 57 LEU QD 1 132 PRO HA . . 3.180 1.977 1.892 2.190 . 0 0 "[ . 1 . 2]" 1 2991 1 57 LEU QD 1 132 PRO HB2 . . 4.210 3.620 3.414 3.920 . 0 0 "[ . 1 . 2]" 1 2992 1 57 LEU QD 1 132 PRO HB3 . . 3.540 2.248 1.971 2.593 . 0 0 "[ . 1 . 2]" 1 2993 1 57 LEU QD 1 132 PRO HG2 . . 5.230 4.203 3.961 4.528 . 0 0 "[ . 1 . 2]" 1 2994 1 57 LEU QD 1 132 PRO HG3 . . 4.440 3.154 2.839 3.462 . 0 0 "[ . 1 . 2]" 1 2995 1 57 LEU QD 1 132 PRO HD2 . . 5.440 4.795 4.618 5.009 . 0 0 "[ . 1 . 2]" 1 2996 1 57 LEU QD 1 133 GLU H . . 4.950 4.579 4.416 4.824 . 0 0 "[ . 1 . 2]" 1 2997 1 57 LEU QD 1 135 ILE H . . 4.460 4.038 3.884 4.253 . 0 0 "[ . 1 . 2]" 1 2998 1 57 LEU QD 1 135 ILE HB . . 3.700 2.432 2.140 2.829 . 0 0 "[ . 1 . 2]" 1 2999 1 57 LEU QD 1 135 ILE MD . . 3.160 1.793 1.741 1.870 . 0 0 "[ . 1 . 2]" 1 3000 1 57 LEU QD 1 136 MET H . . 4.310 3.738 3.514 4.048 . 0 0 "[ . 1 . 2]" 1 3001 1 57 LEU QD 1 136 MET HA . . 5.440 4.512 4.237 4.763 . 0 0 "[ . 1 . 2]" 1 3002 1 57 LEU QD 1 136 MET HG2 . . 3.760 3.184 2.899 3.436 . 0 0 "[ . 1 . 2]" 1 3003 1 57 LEU QD 1 136 MET HG3 . . 4.210 3.336 3.022 3.545 . 0 0 "[ . 1 . 2]" 1 3004 1 57 LEU QD 1 136 MET ME . . 5.440 4.093 3.811 4.319 . 0 0 "[ . 1 . 2]" 1 3005 1 58 GLU H 1 58 GLU QB . . 2.980 2.342 2.138 2.606 . 0 0 "[ . 1 . 2]" 1 3006 1 58 GLU H 1 58 GLU QG . . 3.330 2.555 2.023 2.957 . 0 0 "[ . 1 . 2]" 1 3007 1 58 GLU H 1 61 VAL QG . . 5.180 4.182 4.073 4.401 . 0 0 "[ . 1 . 2]" 1 3008 1 58 GLU HA 1 58 GLU QG . . 3.190 2.300 2.070 2.466 . 0 0 "[ . 1 . 2]" 1 3009 1 58 GLU HA 1 61 VAL QG . . 3.140 2.562 2.328 2.810 . 0 0 "[ . 1 . 2]" 1 3010 1 58 GLU QB 1 59 GLU H . . 3.250 2.814 2.573 2.928 . 0 0 "[ . 1 . 2]" 1 3011 1 58 GLU QG 1 59 GLU H . . 4.620 4.257 3.953 4.434 . 0 0 "[ . 1 . 2]" 1 3012 1 58 GLU QG 1 61 VAL QG . . 5.280 3.937 3.611 4.255 . 0 0 "[ . 1 . 2]" 1 3013 1 58 GLU QG 1 132 PRO HG3 . . 4.250 2.684 2.149 3.312 . 0 0 "[ . 1 . 2]" 1 3014 1 59 GLU H 1 59 GLU QG . . 4.540 4.084 4.038 4.133 . 0 0 "[ . 1 . 2]" 1 3015 1 59 GLU H 1 61 VAL QG . . 4.950 4.020 3.909 4.283 . 0 0 "[ . 1 . 2]" 1 3016 1 59 GLU HA 1 59 GLU QG . . 3.260 2.496 2.295 2.801 . 0 0 "[ . 1 . 2]" 1 3017 1 59 GLU QG 1 60 MET H . . 4.580 4.146 3.801 4.358 . 0 0 "[ . 1 . 2]" 1 3018 1 60 MET H 1 60 MET QG . . 4.250 3.998 3.961 4.036 . 0 0 "[ . 1 . 2]" 1 3019 1 60 MET H 1 61 VAL QG . . 4.350 3.576 3.457 3.681 . 0 0 "[ . 1 . 2]" 1 3020 1 60 MET HA 1 60 MET QG . . 3.230 2.471 2.423 2.503 . 0 0 "[ . 1 . 2]" 1 3021 1 60 MET HB2 1 61 VAL QG . . 5.440 4.399 4.269 4.517 . 0 0 "[ . 1 . 2]" 1 3022 1 60 MET HB3 1 61 VAL QG . . 4.050 3.060 2.869 3.250 . 0 0 "[ . 1 . 2]" 1 3023 1 60 MET ME 1 60 MET QG . . 3.030 2.331 2.257 2.413 . 0 0 "[ . 1 . 2]" 1 3024 1 60 MET QG 1 61 VAL H . . 4.770 3.627 3.230 3.834 . 0 0 "[ . 1 . 2]" 1 3025 1 60 MET QG 1 61 VAL HA . . 5.340 3.810 3.363 4.127 . 0 0 "[ . 1 . 2]" 1 3026 1 60 MET QG 1 64 LEU QD . . 4.350 3.252 2.981 3.574 . 0 0 "[ . 1 . 2]" 1 3027 1 60 MET QG 1 89 ILE MD . . 5.230 4.309 3.956 4.666 . 0 0 "[ . 1 . 2]" 1 3028 1 60 MET ME 1 61 VAL QG . . 3.000 2.770 2.550 2.996 . 0 0 "[ . 1 . 2]" 1 3029 1 60 MET ME 1 64 LEU QD . . 3.700 3.499 3.198 3.700 0.000 5 0 "[ . 1 . 2]" 1 3030 1 60 MET ME 1 74 CYS QB . . 3.420 2.526 2.145 2.748 . 0 0 "[ . 1 . 2]" 1 3031 1 61 VAL H 1 62 GLU QG . . 5.340 4.979 4.581 5.280 . 0 0 "[ . 1 . 2]" 1 3032 1 61 VAL H 1 64 LEU QD . . 4.540 4.047 3.925 4.203 . 0 0 "[ . 1 . 2]" 1 3033 1 61 VAL HA 1 61 VAL QG . . 2.850 2.288 2.188 2.363 . 0 0 "[ . 1 . 2]" 1 3034 1 61 VAL HA 1 64 LEU QD . . 3.160 2.078 1.969 2.241 . 0 0 "[ . 1 . 2]" 1 3035 1 61 VAL HB 1 64 LEU QD . . 3.760 3.112 2.729 3.380 . 0 0 "[ . 1 . 2]" 1 3036 1 61 VAL QG 1 62 GLU H . . 3.200 2.100 1.936 2.299 . 0 0 "[ . 1 . 2]" 1 3037 1 61 VAL QG 1 62 GLU HA . . 4.130 3.245 3.130 3.448 . 0 0 "[ . 1 . 2]" 1 3038 1 61 VAL QG 1 62 GLU QG . . 3.320 3.009 2.691 3.320 . 0 0 "[ . 1 . 2]" 1 3039 1 61 VAL QG 1 63 GLU H . . 4.470 4.066 4.019 4.127 . 0 0 "[ . 1 . 2]" 1 3040 1 61 VAL QG 1 64 LEU QD . . 3.230 2.352 2.063 2.654 . 0 0 "[ . 1 . 2]" 1 3041 1 61 VAL QG 1 130 VAL HB . . 3.400 2.867 2.491 3.293 . 0 0 "[ . 1 . 2]" 1 3042 1 61 VAL QG 1 132 PRO HA . . 5.440 4.762 4.547 4.996 . 0 0 "[ . 1 . 2]" 1 3043 1 61 VAL QG 1 132 PRO HD2 . . 4.750 4.293 4.107 4.542 . 0 0 "[ . 1 . 2]" 1 3044 1 61 VAL QG 1 132 PRO HD3 . . 3.500 3.077 2.893 3.364 . 0 0 "[ . 1 . 2]" 1 3045 1 62 GLU HA 1 62 GLU QG . . 3.260 2.150 2.029 2.374 . 0 0 "[ . 1 . 2]" 1 3046 1 64 LEU HA 1 64 LEU QD . . 2.990 2.100 1.965 2.203 . 0 0 "[ . 1 . 2]" 1 3047 1 64 LEU QD 1 65 ASN H . . 3.680 3.389 3.128 3.676 . 0 0 "[ . 1 . 2]" 1 3048 1 64 LEU QD 1 70 MET HB2 . . 3.720 2.863 2.626 3.006 . 0 0 "[ . 1 . 2]" 1 3049 1 64 LEU QD 1 70 MET HB3 . . 4.050 3.777 3.478 3.950 . 0 0 "[ . 1 . 2]" 1 3050 1 64 LEU QD 1 70 MET HG3 . . 4.850 4.331 4.083 4.508 . 0 0 "[ . 1 . 2]" 1 3051 1 64 LEU QD 1 70 MET ME . . 3.860 3.553 3.076 3.774 . 0 0 "[ . 1 . 2]" 1 3052 1 64 LEU QD 1 72 ALA MB . . 3.400 2.508 2.214 2.856 . 0 0 "[ . 1 . 2]" 1 3053 1 64 LEU QD 1 89 ILE HB . . 5.440 4.262 3.944 4.412 . 0 0 "[ . 1 . 2]" 1 3054 1 64 LEU QD 1 89 ILE MG . . 3.660 3.372 3.178 3.499 . 0 0 "[ . 1 . 2]" 1 3055 1 64 LEU QD 1 89 ILE MD . . 4.240 3.854 3.464 4.058 . 0 0 "[ . 1 . 2]" 1 3056 1 64 LEU QD 1 91 TRP H . . 4.950 4.059 3.860 4.258 . 0 0 "[ . 1 . 2]" 1 3057 1 64 LEU QD 1 91 TRP HB2 . . 3.700 2.233 1.923 2.458 . 0 0 "[ . 1 . 2]" 1 3058 1 64 LEU QD 1 91 TRP HB3 . . 3.980 3.005 2.824 3.264 . 0 0 "[ . 1 . 2]" 1 3059 1 64 LEU QD 1 91 TRP HD1 . . 4.460 3.225 2.956 3.482 . 0 0 "[ . 1 . 2]" 1 3060 1 64 LEU QD 1 91 TRP HE3 . . 3.740 2.492 2.374 2.647 . 0 0 "[ . 1 . 2]" 1 3061 1 64 LEU QD 1 91 TRP HE1 . . 4.730 3.705 3.464 4.052 . 0 0 "[ . 1 . 2]" 1 3062 1 64 LEU QD 1 91 TRP HZ3 . . 4.050 3.053 2.749 3.244 . 0 0 "[ . 1 . 2]" 1 3063 1 64 LEU QD 1 91 TRP HH2 . . 5.180 3.866 3.417 4.035 . 0 0 "[ . 1 . 2]" 1 3064 1 64 LEU QD 1 124 ALA MB . . 4.460 4.354 4.179 4.460 . 0 0 "[ . 1 . 2]" 1 3065 1 64 LEU QD 1 127 GLU HA . . 5.240 3.482 3.078 3.657 . 0 0 "[ . 1 . 2]" 1 3066 1 64 LEU QD 1 127 GLU QG . . 4.240 3.102 2.322 3.326 . 0 0 "[ . 1 . 2]" 1 3067 1 64 LEU QD 1 130 VAL HB . . 4.130 3.082 2.828 3.518 . 0 0 "[ . 1 . 2]" 1 3068 1 64 LEU QD 1 130 VAL MG1 . . 3.280 2.777 2.633 3.056 . 0 0 "[ . 1 . 2]" 1 3069 1 64 LEU QD 1 130 VAL MG2 . . 2.810 2.075 1.886 2.179 . 0 0 "[ . 1 . 2]" 1 3070 1 65 ASN H 1 65 ASN QD . . 4.990 4.377 3.361 4.854 . 0 0 "[ . 1 . 2]" 1 3071 1 65 ASN H 1 68 LYS QB . . 5.020 4.723 4.389 4.783 . 0 0 "[ . 1 . 2]" 1 3072 1 65 ASN H 1 68 LYS QD . . 5.340 5.311 4.772 5.341 0.001 19 0 "[ . 1 . 2]" 1 3073 1 65 ASN HA 1 65 ASN QD . . 4.340 3.341 2.542 3.808 . 0 0 "[ . 1 . 2]" 1 3074 1 65 ASN HB2 1 68 LYS QB . . 4.590 4.288 3.972 4.590 . 9 0 "[ . 1 . 2]" 1 3075 1 65 ASN HB3 1 68 LYS QB . . 3.760 3.499 3.290 3.761 0.001 9 0 "[ . 1 . 2]" 1 3076 1 65 ASN HB3 1 68 LYS QG . . 3.720 3.704 3.487 3.721 0.001 8 0 "[ . 1 . 2]" 1 3077 1 65 ASN HB3 1 68 LYS QD . . 3.820 3.185 2.540 3.441 . 0 0 "[ . 1 . 2]" 1 3078 1 66 SER QB 1 93 GLY HA2 . . 4.820 3.615 3.390 3.790 . 0 0 "[ . 1 . 2]" 1 3079 1 66 SER QB 1 94 GLU H . . 3.890 3.486 2.602 3.723 . 0 0 "[ . 1 . 2]" 1 3080 1 66 SER QB 1 94 GLU QB . . 5.180 4.604 3.636 4.981 . 0 0 "[ . 1 . 2]" 1 3081 1 66 SER QB 1 95 GLY H . . 4.430 3.884 3.071 4.255 . 0 0 "[ . 1 . 2]" 1 3082 1 67 GLY H 1 68 LYS QB . . 4.750 4.460 4.407 4.507 . 0 0 "[ . 1 . 2]" 1 3083 1 67 GLY H 1 68 LYS QG . . 4.400 4.247 4.200 4.355 . 0 0 "[ . 1 . 2]" 1 3084 1 67 GLY H 1 96 VAL QG . . 4.950 3.705 3.497 3.875 . 0 0 "[ . 1 . 2]" 1 3085 1 67 GLY HA2 1 96 VAL QG . . 3.730 2.992 2.682 3.651 . 0 0 "[ . 1 . 2]" 1 3086 1 67 GLY HA3 1 68 LYS QG . . 4.830 3.248 3.198 3.359 . 0 0 "[ . 1 . 2]" 1 3087 1 67 GLY HA3 1 96 VAL QG . . 4.910 4.089 3.829 4.711 . 0 0 "[ . 1 . 2]" 1 3088 1 68 LYS H 1 68 LYS QB . . 3.100 2.706 2.620 2.755 . 0 0 "[ . 1 . 2]" 1 3089 1 68 LYS H 1 68 LYS QG . . 3.400 2.756 2.692 2.789 . 0 0 "[ . 1 . 2]" 1 3090 1 68 LYS H 1 68 LYS QD . . 4.410 4.023 3.726 4.131 . 0 0 "[ . 1 . 2]" 1 3091 1 68 LYS H 1 96 VAL QG . . 4.130 3.792 3.565 4.131 0.001 9 0 "[ . 1 . 2]" 1 3092 1 68 LYS HA 1 68 LYS QG . . 3.700 2.563 2.542 2.576 . 0 0 "[ . 1 . 2]" 1 3093 1 68 LYS HA 1 68 LYS QD . . 4.430 4.268 4.235 4.293 . 0 0 "[ . 1 . 2]" 1 3094 1 68 LYS HA 1 69 VAL QG . . 4.460 3.544 3.422 3.663 . 0 0 "[ . 1 . 2]" 1 3095 1 68 LYS HA 1 96 VAL QG . . 4.000 2.785 2.445 3.280 . 0 0 "[ . 1 . 2]" 1 3096 1 68 LYS QB 1 68 LYS QE . . 3.340 2.077 1.990 2.314 . 0 0 "[ . 1 . 2]" 1 3097 1 68 LYS QB 1 69 VAL H . . 3.130 2.948 2.562 3.106 . 0 0 "[ . 1 . 2]" 1 3098 1 68 LYS QB 1 70 MET HG2 . . 4.390 3.664 3.566 3.804 . 0 0 "[ . 1 . 2]" 1 3099 1 68 LYS QB 1 70 MET HG3 . . 3.830 3.194 3.070 3.319 . 0 0 "[ . 1 . 2]" 1 3100 1 68 LYS QB 1 91 TRP HD1 . . 5.090 4.530 4.394 4.647 . 0 0 "[ . 1 . 2]" 1 3101 1 68 LYS QB 1 91 TRP HE1 . . 4.540 4.352 4.149 4.496 . 0 0 "[ . 1 . 2]" 1 3102 1 68 LYS QE 1 68 LYS QG . . 3.170 2.464 2.267 2.764 . 0 0 "[ . 1 . 2]" 1 3103 1 68 LYS QG 1 69 VAL H . . 4.660 4.193 4.089 4.237 . 0 0 "[ . 1 . 2]" 1 3104 1 68 LYS QE 1 69 VAL H . . 5.340 4.849 4.368 5.311 . 0 0 "[ . 1 . 2]" 1 3105 1 68 LYS QE 1 70 MET ME . . 4.670 4.535 4.292 4.670 0.000 14 0 "[ . 1 . 2]" 1 3106 1 69 VAL H 1 69 VAL QG . . 3.140 2.180 1.944 2.399 . 0 0 "[ . 1 . 2]" 1 3107 1 69 VAL H 1 96 VAL QG . . 4.130 3.024 2.744 3.385 . 0 0 "[ . 1 . 2]" 1 3108 1 69 VAL QG 1 70 MET H . . 3.250 2.562 2.263 2.800 . 0 0 "[ . 1 . 2]" 1 3109 1 69 VAL QG 1 70 MET HA . . 4.560 3.484 3.374 3.625 . 0 0 "[ . 1 . 2]" 1 3110 1 69 VAL QG 1 71 TYR HD1 . . 5.440 4.223 3.945 4.437 . 0 0 "[ . 1 . 2]" 1 3111 1 69 VAL QG 1 71 TYR HD2 . . 5.440 5.377 5.049 5.441 0.001 17 0 "[ . 1 . 2]" 1 3112 1 69 VAL QG 1 90 ASN HB3 . . 5.260 4.409 4.212 4.721 . 0 0 "[ . 1 . 2]" 1 3113 1 69 VAL QG 1 91 TRP H . . 5.060 4.645 4.406 4.778 . 0 0 "[ . 1 . 2]" 1 3114 1 69 VAL QG 1 92 THR HA . . 3.340 2.649 2.519 2.827 . 0 0 "[ . 1 . 2]" 1 3115 1 69 VAL QG 1 92 THR HG1 . . 4.990 3.639 2.515 4.348 . 0 0 "[ . 1 . 2]" 1 3116 1 69 VAL QG 1 93 GLY H . . 3.880 3.486 3.158 3.880 . 0 0 "[ . 1 . 2]" 1 3117 1 69 VAL QG 1 96 VAL QG . . 3.010 2.093 1.858 2.347 . 0 0 "[ . 1 . 2]" 1 3118 1 69 VAL QG 1 100 ARG HG2 . . 4.550 3.404 2.546 3.973 . 0 0 "[ . 1 . 2]" 1 3119 1 69 VAL QG 1 101 LYS HA . . 4.050 3.586 2.951 3.900 . 0 0 "[ . 1 . 2]" 1 3120 1 69 VAL QG 1 104 CYS QB . . 3.130 2.375 2.105 2.591 . 0 0 "[ . 1 . 2]" 1 3121 1 71 TYR HA 1 88 LEU QD . . 5.140 4.008 3.759 4.309 . 0 0 "[ . 1 . 2]" 1 3122 1 71 TYR HB2 1 88 LEU QD . . 4.730 4.354 4.126 4.535 . 0 0 "[ . 1 . 2]" 1 3123 1 71 TYR HB3 1 88 LEU QD . . 3.980 3.058 2.751 3.244 . 0 0 "[ . 1 . 2]" 1 3124 1 71 TYR HE1 1 111 MET QG . . 4.450 2.968 2.731 3.325 . 0 0 "[ . 1 . 2]" 1 3125 1 71 TYR HE2 1 108 VAL QG . . 4.090 2.449 2.161 2.766 . 0 0 "[ . 1 . 2]" 1 3126 1 71 TYR HD2 1 88 LEU QD . . 5.130 2.762 2.409 3.126 . 0 0 "[ . 1 . 2]" 1 3127 1 72 ALA H 1 88 LEU QD . . 4.580 3.639 3.441 3.920 . 0 0 "[ . 1 . 2]" 1 3128 1 73 PHE HA 1 74 CYS QB . . 4.770 4.178 4.132 4.209 . 0 0 "[ . 1 . 2]" 1 3129 1 73 PHE HA 1 88 LEU QD . . 3.720 3.292 3.088 3.408 . 0 0 "[ . 1 . 2]" 1 3130 1 73 PHE HB2 1 88 LEU QD . . 3.980 3.235 2.948 3.373 . 0 0 "[ . 1 . 2]" 1 3131 1 73 PHE HB3 1 88 LEU QD . . 4.620 4.524 4.302 4.620 0.000 14 0 "[ . 1 . 2]" 1 3132 1 73 PHE QD 1 88 LEU QD . . 3.330 2.041 1.947 2.318 . 0 0 "[ . 1 . 2]" 1 3133 1 73 PHE QE 1 88 LEU QD . . 4.200 3.038 2.736 3.477 . 0 0 "[ . 1 . 2]" 1 3134 1 73 PHE HZ 1 88 LEU QD . . 5.440 4.829 4.634 5.066 . 0 0 "[ . 1 . 2]" 1 3135 1 74 CYS H 1 74 CYS QB . . 3.240 2.320 2.243 2.430 . 0 0 "[ . 1 . 2]" 1 3136 1 74 CYS H 1 87 VAL QG . . 4.420 3.934 3.567 4.116 . 0 0 "[ . 1 . 2]" 1 3137 1 74 CYS QB 1 75 ARG H . . 3.430 2.862 2.592 3.285 . 0 0 "[ . 1 . 2]" 1 3138 1 74 CYS QB 1 76 VAL H . . 4.930 4.523 4.422 4.697 . 0 0 "[ . 1 . 2]" 1 3139 1 74 CYS QB 1 76 VAL MG1 . . 3.820 3.210 3.125 3.357 . 0 0 "[ . 1 . 2]" 1 3140 1 74 CYS QB 1 76 VAL MG2 . . 4.560 3.954 3.623 4.127 . 0 0 "[ . 1 . 2]" 1 3141 1 74 CYS QB 1 87 VAL H . . 4.920 4.184 3.965 4.383 . 0 0 "[ . 1 . 2]" 1 3142 1 74 CYS QB 1 87 VAL HB . . 3.370 3.236 2.877 3.370 . 0 0 "[ . 1 . 2]" 1 3143 1 74 CYS QB 1 87 VAL QG . . 3.800 3.435 3.101 3.589 . 0 0 "[ . 1 . 2]" 1 3144 1 74 CYS QB 1 89 ILE MD . . 4.280 3.442 3.047 3.791 . 0 0 "[ . 1 . 2]" 1 3145 1 75 ARG H 1 75 ARG QB . . 3.080 2.627 2.535 2.704 . 0 0 "[ . 1 . 2]" 1 3146 1 75 ARG QB 1 75 ARG HE . . 4.810 2.966 2.349 4.098 . 0 0 "[ . 1 . 2]" 1 3147 1 75 ARG QB 1 86 PHE QD . . 4.420 2.736 2.450 2.948 . 0 0 "[ . 1 . 2]" 1 3148 1 75 ARG QB 1 86 PHE QE . . 3.860 3.256 2.808 3.508 . 0 0 "[ . 1 . 2]" 1 3149 1 75 ARG HG3 1 84 PRO QB . . 3.930 3.418 3.076 3.649 . 0 0 "[ . 1 . 2]" 1 3150 1 75 ARG QD 1 84 PRO QB . . 3.640 2.804 1.990 3.632 . 0 0 "[ . 1 . 2]" 1 3151 1 75 ARG HE 1 84 PRO QB . . 4.710 3.580 1.974 4.584 . 0 0 "[ . 1 . 2]" 1 3152 1 76 VAL HA 1 77 LYS QG . . 5.340 4.097 3.847 4.332 . 0 0 "[ . 1 . 2]" 1 3153 1 77 LYS H 1 77 LYS QG . . 3.400 2.092 1.965 2.236 . 0 0 "[ . 1 . 2]" 1 3154 1 77 LYS H 1 77 LYS QD . . 4.410 3.812 3.488 4.172 . 0 0 "[ . 1 . 2]" 1 3155 1 77 LYS HA 1 77 LYS QD . . 4.560 4.302 4.234 4.466 . 0 0 "[ . 1 . 2]" 1 3156 1 77 LYS HA 1 78 ASP QB . . 4.750 4.084 4.066 4.097 . 0 0 "[ . 1 . 2]" 1 3157 1 77 LYS HA 1 84 PRO QB . . 5.050 4.362 3.977 4.640 . 0 0 "[ . 1 . 2]" 1 3158 1 77 LYS HB2 1 77 LYS QE . . 4.720 3.341 2.226 3.891 . 0 0 "[ . 1 . 2]" 1 3159 1 77 LYS HB2 1 82 GLY QA . . 4.140 3.061 2.752 3.443 . 0 0 "[ . 1 . 2]" 1 3160 1 77 LYS HB3 1 77 LYS QE . . 4.650 3.682 2.202 4.042 . 0 0 "[ . 1 . 2]" 1 3161 1 77 LYS HB3 1 82 GLY QA . . 5.050 4.657 4.384 5.024 . 0 0 "[ . 1 . 2]" 1 3162 1 77 LYS QE 1 77 LYS QG . . 3.100 2.096 1.944 2.286 . 0 0 "[ . 1 . 2]" 1 3163 1 77 LYS QG 1 78 ASP H . . 4.560 3.924 3.709 4.121 . 0 0 "[ . 1 . 2]" 1 3164 1 77 LYS QG 1 78 ASP HA . . 5.340 4.518 4.222 4.766 . 0 0 "[ . 1 . 2]" 1 3165 1 77 LYS QG 1 82 GLY QA . . 4.200 3.761 3.315 4.122 . 0 0 "[ . 1 . 2]" 1 3166 1 77 LYS QG 1 84 PRO HA . . 5.340 5.053 4.810 5.338 . 0 0 "[ . 1 . 2]" 1 3167 1 77 LYS QD 1 82 GLY QA . . 4.290 3.719 2.931 4.272 . 0 0 "[ . 1 . 2]" 1 3168 1 77 LYS QE 1 82 GLY QA . . 4.360 3.710 2.314 4.319 . 0 0 "[ . 1 . 2]" 1 3169 1 78 ASP H 1 82 GLY QA . . 4.710 3.808 3.146 4.361 . 0 0 "[ . 1 . 2]" 1 3170 1 78 ASP H 1 85 LYS QE . . 4.770 3.951 3.631 4.293 . 0 0 "[ . 1 . 2]" 1 3171 1 78 ASP HA 1 85 LYS QE . . 4.690 4.455 4.273 4.669 . 0 0 "[ . 1 . 2]" 1 3172 1 78 ASP HA 1 139 VAL QG . . 3.370 2.523 2.265 2.742 . 0 0 "[ . 1 . 2]" 1 3173 1 78 ASP QB 1 79 PRO HD2 . . 4.270 2.304 2.293 2.339 . 0 0 "[ . 1 . 2]" 1 3174 1 78 ASP QB 1 80 ASN H . . 3.980 2.950 2.771 2.997 . 0 0 "[ . 1 . 2]" 1 3175 1 78 ASP QB 1 81 SER H . . 3.560 2.333 2.139 2.394 . 0 0 "[ . 1 . 2]" 1 3176 1 78 ASP QB 1 81 SER HG . . 4.770 2.935 2.200 4.363 . 0 0 "[ . 1 . 2]" 1 3177 1 78 ASP QB 1 82 GLY H . . 3.260 2.390 2.128 2.543 . 0 0 "[ . 1 . 2]" 1 3178 1 78 ASP QB 1 82 GLY QA . . 4.700 3.758 3.543 3.971 . 0 0 "[ . 1 . 2]" 1 3179 1 78 ASP QB 1 83 LEU H . . 3.650 2.699 2.376 2.949 . 0 0 "[ . 1 . 2]" 1 3180 1 78 ASP QB 1 83 LEU QB . . 4.650 3.869 3.458 4.315 . 0 0 "[ . 1 . 2]" 1 3181 1 78 ASP QB 1 85 LYS HG2 . . 3.940 3.638 3.174 3.908 . 0 0 "[ . 1 . 2]" 1 3182 1 78 ASP QB 1 85 LYS HG3 . . 3.850 2.766 2.076 3.061 . 0 0 "[ . 1 . 2]" 1 3183 1 78 ASP QB 1 85 LYS QD . . 4.390 4.103 3.368 4.384 . 0 0 "[ . 1 . 2]" 1 3184 1 78 ASP QB 1 85 LYS QE . . 3.560 2.556 1.992 2.821 . 0 0 "[ . 1 . 2]" 1 3185 1 78 ASP QB 1 139 VAL QG . . 4.360 3.763 3.653 3.896 . 0 0 "[ . 1 . 2]" 1 3186 1 79 PRO QB 1 79 PRO HD2 . . 3.700 3.510 3.509 3.512 . 0 0 "[ . 1 . 2]" 1 3187 1 79 PRO HD2 1 80 ASN QD . . 5.130 3.428 2.904 3.641 . 0 0 "[ . 1 . 2]" 1 3188 1 79 PRO HD2 1 139 VAL QG . . 4.050 3.918 3.682 4.050 . 0 0 "[ . 1 . 2]" 1 3189 1 79 PRO QB 1 79 PRO HD3 . . 3.660 3.001 2.988 3.056 . 0 0 "[ . 1 . 2]" 1 3190 1 79 PRO HD3 1 139 VAL QG . . 3.760 3.298 2.982 3.516 . 0 0 "[ . 1 . 2]" 1 3191 1 79 PRO QB 1 80 ASN H . . 3.740 2.877 2.862 2.989 . 0 0 "[ . 1 . 2]" 1 3192 1 79 PRO QB 1 140 ALA MB . . 3.830 3.479 3.423 3.578 . 0 0 "[ . 1 . 2]" 1 3193 1 79 PRO QG 1 80 ASN H . . 3.600 1.997 1.979 2.115 . 0 0 "[ . 1 . 2]" 1 3194 1 79 PRO QG 1 80 ASN QD . . 3.970 2.233 2.021 2.435 . 0 0 "[ . 1 . 2]" 1 3195 1 79 PRO QG 1 139 VAL QG . . 4.850 4.602 4.359 4.788 . 0 0 "[ . 1 . 2]" 1 3196 1 79 PRO QG 1 140 ALA H . . 4.980 4.243 4.044 4.427 . 0 0 "[ . 1 . 2]" 1 3197 1 80 ASN H 1 80 ASN QB . . 2.890 2.694 2.604 2.874 . 0 0 "[ . 1 . 2]" 1 3198 1 80 ASN H 1 80 ASN QD . . 3.830 2.501 2.260 2.687 . 0 0 "[ . 1 . 2]" 1 3199 1 80 ASN H 1 81 SER QB . . 4.810 4.298 3.835 4.771 . 0 0 "[ . 1 . 2]" 1 3200 1 80 ASN QB 1 80 ASN QD . . 2.840 2.111 2.077 2.157 . 0 0 "[ . 1 . 2]" 1 3201 1 80 ASN QB 1 81 SER H . . 3.290 2.472 2.241 3.290 . 6 0 "[ . 1 . 2]" 1 3202 1 80 ASN QD 1 140 ALA HA . . 4.110 3.972 3.287 4.110 0.000 19 0 "[ . 1 . 2]" 1 3203 1 80 ASN QD 1 140 ALA MB . . 3.470 3.211 2.940 3.396 . 0 0 "[ . 1 . 2]" 1 3204 1 81 SER H 1 81 SER QB . . 3.270 2.351 2.054 2.844 . 0 0 "[ . 1 . 2]" 1 3205 1 81 SER QB 1 82 GLY H . . 3.980 2.876 2.354 3.303 . 0 0 "[ . 1 . 2]" 1 3206 1 81 SER QB 1 83 LEU H . . 3.600 2.700 2.172 3.420 . 0 0 "[ . 1 . 2]" 1 3207 1 81 SER QB 1 83 LEU QB . . 4.270 3.207 2.870 3.639 . 0 0 "[ . 1 . 2]" 1 3208 1 81 SER QB 1 83 LEU HG . . 3.920 3.421 3.137 3.756 . 0 0 "[ . 1 . 2]" 1 3209 1 81 SER QB 1 83 LEU QD . . 3.540 3.042 2.666 3.530 . 0 0 "[ . 1 . 2]" 1 3210 1 81 SER HG 1 83 LEU QB . . 5.140 3.516 1.991 4.936 . 0 0 "[ . 1 . 2]" 1 3211 1 81 SER HG 1 83 LEU QD . . 4.620 3.593 2.499 4.620 . 20 0 "[ . 1 . 2]" 1 3212 1 81 SER HG 1 85 LYS QE . . 5.190 2.655 1.943 4.319 . 0 0 "[ . 1 . 2]" 1 3213 1 82 GLY H 1 83 LEU QB . . 5.070 4.798 4.503 4.910 . 0 0 "[ . 1 . 2]" 1 3214 1 82 GLY QA 1 83 LEU HG . . 4.550 3.947 3.622 4.172 . 0 0 "[ . 1 . 2]" 1 3215 1 83 LEU H 1 83 LEU QB . . 2.710 2.532 2.429 2.685 . 0 0 "[ . 1 . 2]" 1 3216 1 83 LEU H 1 83 LEU QD . . 3.630 3.423 3.382 3.513 . 0 0 "[ . 1 . 2]" 1 3217 1 83 LEU H 1 85 LYS QE . . 4.770 4.070 3.795 4.347 . 0 0 "[ . 1 . 2]" 1 3218 1 83 LEU HA 1 83 LEU QD . . 2.880 2.179 1.969 2.490 . 0 0 "[ . 1 . 2]" 1 3219 1 83 LEU HA 1 84 PRO QG . . 4.770 3.949 3.839 3.988 . 0 0 "[ . 1 . 2]" 1 3220 1 83 LEU QB 1 83 LEU QD . . 2.510 1.902 1.824 1.939 . 0 0 "[ . 1 . 2]" 1 3221 1 83 LEU QB 1 84 PRO HD2 . . 3.150 2.023 1.987 2.114 . 0 0 "[ . 1 . 2]" 1 3222 1 83 LEU QB 1 84 PRO HD3 . . 3.540 3.270 3.028 3.405 . 0 0 "[ . 1 . 2]" 1 3223 1 83 LEU QB 1 85 LYS QE . . 3.950 3.510 2.615 3.936 . 0 0 "[ . 1 . 2]" 1 3224 1 83 LEU QD 1 84 PRO HD2 . . 3.350 2.579 2.275 3.095 . 0 0 "[ . 1 . 2]" 1 3225 1 83 LEU QD 1 84 PRO HD3 . . 3.580 3.118 2.964 3.324 . 0 0 "[ . 1 . 2]" 1 3226 1 83 LEU QD 1 84 PRO QG . . 4.730 3.922 3.722 4.310 . 0 0 "[ . 1 . 2]" 1 3227 1 83 LEU QD 1 85 LYS QE . . 4.730 4.200 3.516 4.639 . 0 0 "[ . 1 . 2]" 1 3228 1 84 PRO HA 1 84 PRO QG . . 3.680 3.353 2.901 3.506 . 0 0 "[ . 1 . 2]" 1 3229 1 84 PRO QB 1 85 LYS H . . 3.770 3.559 3.407 3.662 . 0 0 "[ . 1 . 2]" 1 3230 1 84 PRO QB 1 86 PHE QE . . 4.130 3.854 3.508 4.058 . 0 0 "[ . 1 . 2]" 1 3231 1 84 PRO QB 1 86 PHE HZ . . 5.090 4.438 3.900 4.771 . 0 0 "[ . 1 . 2]" 1 3232 1 84 PRO QG 1 85 LYS H . . 5.350 4.758 4.727 4.800 . 0 0 "[ . 1 . 2]" 1 3233 1 84 PRO QG 1 86 PHE QE . . 5.350 5.055 4.762 5.345 . 0 0 "[ . 1 . 2]" 1 3234 1 85 LYS H 1 85 LYS QD . . 5.340 4.489 4.336 4.726 . 0 0 "[ . 1 . 2]" 1 3235 1 85 LYS HA 1 85 LYS QD . . 3.410 3.004 2.892 3.091 . 0 0 "[ . 1 . 2]" 1 3236 1 85 LYS HA 1 85 LYS QE . . 4.840 4.549 4.293 4.698 . 0 0 "[ . 1 . 2]" 1 3237 1 85 LYS HA 1 87 VAL QG . . 5.440 5.228 4.940 5.431 . 0 0 "[ . 1 . 2]" 1 3238 1 85 LYS HB2 1 87 VAL QG . . 4.710 3.826 3.655 4.045 . 0 0 "[ . 1 . 2]" 1 3239 1 85 LYS HB2 1 139 VAL QG . . 3.900 2.613 2.337 2.824 . 0 0 "[ . 1 . 2]" 1 3240 1 85 LYS HB3 1 87 VAL QG . . 4.980 3.937 3.571 4.218 . 0 0 "[ . 1 . 2]" 1 3241 1 85 LYS HB3 1 139 VAL QG . . 4.430 3.266 2.741 3.559 . 0 0 "[ . 1 . 2]" 1 3242 1 85 LYS QE 1 85 LYS HG2 . . 3.160 2.551 2.250 2.758 . 0 0 "[ . 1 . 2]" 1 3243 1 85 LYS QE 1 85 LYS HG3 . . 3.670 2.298 2.151 2.518 . 0 0 "[ . 1 . 2]" 1 3244 1 85 LYS QD 1 86 PHE H . . 4.660 3.847 3.565 4.244 . 0 0 "[ . 1 . 2]" 1 3245 1 85 LYS QD 1 119 HIS HB2 . . 4.580 2.962 2.654 3.229 . 0 0 "[ . 1 . 2]" 1 3246 1 85 LYS QD 1 119 HIS HD2 . . 4.150 2.828 2.554 3.351 . 0 0 "[ . 1 . 2]" 1 3247 1 85 LYS QD 1 119 HIS HE1 . . 4.560 4.005 3.611 4.440 . 0 0 "[ . 1 . 2]" 1 3248 1 85 LYS QD 1 139 VAL QG . . 4.080 3.372 2.809 3.754 . 0 0 "[ . 1 . 2]" 1 3249 1 85 LYS QE 1 119 HIS HB3 . . 5.100 4.458 3.951 4.993 . 0 0 "[ . 1 . 2]" 1 3250 1 85 LYS QE 1 119 HIS HD2 . . 4.650 4.058 3.746 4.552 . 0 0 "[ . 1 . 2]" 1 3251 1 85 LYS QE 1 139 VAL QG . . 5.280 3.682 3.220 4.158 . 0 0 "[ . 1 . 2]" 1 3252 1 86 PHE HA 1 87 VAL QG . . 4.130 3.462 3.319 3.570 . 0 0 "[ . 1 . 2]" 1 3253 1 87 VAL H 1 87 VAL QG . . 3.340 2.594 2.363 2.877 . 0 0 "[ . 1 . 2]" 1 3254 1 87 VAL HB 1 139 VAL QG . . 4.380 4.005 3.568 4.254 . 0 0 "[ . 1 . 2]" 1 3255 1 87 VAL QG 1 88 LEU H . . 3.350 2.140 1.944 2.478 . 0 0 "[ . 1 . 2]" 1 3256 1 87 VAL QG 1 88 LEU HA . . 4.460 3.727 3.605 3.883 . 0 0 "[ . 1 . 2]" 1 3257 1 87 VAL QG 1 89 ILE H . . 4.460 4.080 3.875 4.445 . 0 0 "[ . 1 . 2]" 1 3258 1 87 VAL QG 1 89 ILE HA . . 4.850 4.264 4.103 4.508 . 0 0 "[ . 1 . 2]" 1 3259 1 87 VAL QG 1 89 ILE HG13 . . 3.130 2.425 2.249 2.772 . 0 0 "[ . 1 . 2]" 1 3260 1 87 VAL QG 1 119 HIS HB2 . . 5.000 4.024 3.610 4.265 . 0 0 "[ . 1 . 2]" 1 3261 1 87 VAL QG 1 120 VAL H . . 4.030 3.563 3.301 3.761 . 0 0 "[ . 1 . 2]" 1 3262 1 87 VAL QG 1 120 VAL HA . . 5.440 4.787 4.529 5.051 . 0 0 "[ . 1 . 2]" 1 3263 1 87 VAL QG 1 121 THR HA . . 4.330 3.823 3.590 4.274 . 0 0 "[ . 1 . 2]" 1 3264 1 87 VAL QG 1 122 ILE H . . 4.220 4.030 3.456 4.220 0.000 13 0 "[ . 1 . 2]" 1 3265 1 87 VAL QG 1 122 ILE HB . . 4.290 3.914 3.623 4.262 . 0 0 "[ . 1 . 2]" 1 3266 1 87 VAL QG 1 122 ILE HG12 . . 4.960 4.605 4.300 4.958 . 0 0 "[ . 1 . 2]" 1 3267 1 87 VAL QG 1 122 ILE HG13 . . 3.980 3.382 3.069 3.714 . 0 0 "[ . 1 . 2]" 1 3268 1 87 VAL QG 1 139 VAL HA . . 4.620 3.501 3.010 3.827 . 0 0 "[ . 1 . 2]" 1 3269 1 87 VAL QG 1 139 VAL HB . . 4.620 4.224 3.930 4.427 . 0 0 "[ . 1 . 2]" 1 3270 1 88 LEU H 1 88 LEU QD . . 3.990 3.727 3.660 3.920 . 0 0 "[ . 1 . 2]" 1 3271 1 88 LEU H 1 120 VAL QG . . 4.730 4.496 4.234 4.626 . 0 0 "[ . 1 . 2]" 1 3272 1 88 LEU HA 1 88 LEU QD . . 3.010 2.002 1.962 2.053 . 0 0 "[ . 1 . 2]" 1 3273 1 88 LEU HB3 1 88 LEU QD . . 3.010 2.199 2.182 2.225 . 0 0 "[ . 1 . 2]" 1 3274 1 88 LEU QD 1 89 ILE H . . 3.280 2.410 2.174 3.151 . 0 0 "[ . 1 . 2]" 1 3275 1 88 LEU QD 1 89 ILE HA . . 4.570 3.629 3.244 4.570 . 0 0 "[ . 1 . 2]" 1 3276 1 88 LEU QD 1 90 ASN H . . 5.440 4.041 3.634 4.929 . 0 0 "[ . 1 . 2]" 1 3277 1 88 LEU QD 1 90 ASN HA . . 4.780 3.820 3.531 4.477 . 0 0 "[ . 1 . 2]" 1 3278 1 88 LEU QD 1 90 ASN HD21 . . 4.330 3.536 2.696 4.185 . 0 0 "[ . 1 . 2]" 1 3279 1 88 LEU QD 1 90 ASN HD22 . . 3.920 2.964 2.299 3.343 . 0 0 "[ . 1 . 2]" 1 3280 1 88 LEU QD 1 91 TRP H . . 5.440 4.966 4.693 5.441 0.001 5 0 "[ . 1 . 2]" 1 3281 1 88 LEU QD 1 112 ALA H . . 5.140 4.649 3.959 4.945 . 0 0 "[ . 1 . 2]" 1 3282 1 88 LEU QD 1 112 ALA HA . . 3.440 3.084 2.111 3.440 0.000 18 0 "[ . 1 . 2]" 1 3283 1 88 LEU QD 1 115 LEU H . . 4.600 4.034 3.586 4.271 . 0 0 "[ . 1 . 2]" 1 3284 1 88 LEU QD 1 115 LEU HA . . 4.910 4.279 4.159 4.476 . 0 0 "[ . 1 . 2]" 1 3285 1 88 LEU QD 1 115 LEU HB2 . . 4.050 2.030 1.974 2.205 . 0 0 "[ . 1 . 2]" 1 3286 1 88 LEU QD 1 115 LEU HB3 . . 3.420 2.442 2.236 2.750 . 0 0 "[ . 1 . 2]" 1 3287 1 88 LEU QD 1 115 LEU MD1 . . 2.890 1.869 1.716 2.083 . 0 0 "[ . 1 . 2]" 1 3288 1 88 LEU QD 1 115 LEU MD2 . . 4.210 3.498 3.344 3.736 . 0 0 "[ . 1 . 2]" 1 3289 1 88 LEU QD 1 118 ALA H . . 5.020 4.547 4.120 4.783 . 0 0 "[ . 1 . 2]" 1 3290 1 88 LEU QD 1 121 THR HA . . 4.460 3.905 3.694 4.061 . 0 0 "[ . 1 . 2]" 1 3291 1 90 ASN H 1 123 ASN QB . . 5.070 4.476 4.174 4.699 . 0 0 "[ . 1 . 2]" 1 3292 1 90 ASN HA 1 108 VAL QG . . 5.440 4.370 4.027 4.637 . 0 0 "[ . 1 . 2]" 1 3293 1 90 ASN HB2 1 108 VAL QG . . 4.530 4.130 3.795 4.428 . 0 0 "[ . 1 . 2]" 1 3294 1 90 ASN HB3 1 108 VAL QG . . 3.830 3.485 3.181 3.778 . 0 0 "[ . 1 . 2]" 1 3295 1 90 ASN HD21 1 108 VAL QG . . 4.910 3.754 2.994 4.243 . 0 0 "[ . 1 . 2]" 1 3296 1 90 ASN HD22 1 108 VAL QG . . 3.360 2.770 1.966 3.209 . 0 0 "[ . 1 . 2]" 1 3297 1 91 TRP HE1 1 96 VAL QG . . 5.440 5.377 5.188 5.440 0.000 16 0 "[ . 1 . 2]" 1 3298 1 91 TRP HZ3 1 127 GLU QG . . 4.280 3.477 3.018 3.726 . 0 0 "[ . 1 . 2]" 1 3299 1 91 TRP HH2 1 127 GLU QG . . 3.840 2.479 2.080 3.004 . 0 0 "[ . 1 . 2]" 1 3300 1 92 THR H 1 125 ARG QB . . 4.610 4.231 3.985 4.558 . 0 0 "[ . 1 . 2]" 1 3301 1 92 THR H 1 125 ARG QG . . 4.890 3.677 3.271 4.188 . 0 0 "[ . 1 . 2]" 1 3302 1 92 THR HA 1 96 VAL QG . . 4.280 3.756 3.476 4.108 . 0 0 "[ . 1 . 2]" 1 3303 1 92 THR HB 1 125 ARG QB . . 4.830 3.479 3.092 3.887 . 0 0 "[ . 1 . 2]" 1 3304 1 92 THR MG 1 101 LYS QE . . 3.820 3.237 2.305 3.820 . 0 0 "[ . 1 . 2]" 1 3305 1 93 GLY H 1 96 VAL QG . . 3.360 3.178 3.022 3.311 . 0 0 "[ . 1 . 2]" 1 3306 1 93 GLY HA2 1 94 GLU QB . . 4.770 4.378 4.205 4.635 . 0 0 "[ . 1 . 2]" 1 3307 1 93 GLY HA2 1 96 VAL QG . . 4.460 4.201 3.966 4.364 . 0 0 "[ . 1 . 2]" 1 3308 1 93 GLY HA3 1 96 VAL QG . . 3.680 3.030 2.663 3.312 . 0 0 "[ . 1 . 2]" 1 3309 1 94 GLU H 1 94 GLU QB . . 2.960 2.486 2.366 2.670 . 0 0 "[ . 1 . 2]" 1 3310 1 94 GLU H 1 94 GLU QG . . 3.460 2.252 2.059 2.676 . 0 0 "[ . 1 . 2]" 1 3311 1 94 GLU H 1 96 VAL QG . . 4.850 4.535 4.000 4.778 . 0 0 "[ . 1 . 2]" 1 3312 1 94 GLU HA 1 94 GLU QG . . 3.600 3.074 2.323 3.411 . 0 0 "[ . 1 . 2]" 1 3313 1 94 GLU QB 1 95 GLY H . . 4.080 3.309 2.677 3.589 . 0 0 "[ . 1 . 2]" 1 3314 1 94 GLU QB 1 95 GLY QA . . 4.550 4.049 3.639 4.277 . 0 0 "[ . 1 . 2]" 1 3315 1 95 GLY H 1 96 VAL QG . . 4.140 3.848 3.698 3.966 . 0 0 "[ . 1 . 2]" 1 3316 1 96 VAL H 1 96 VAL QG . . 2.830 2.090 1.959 2.269 . 0 0 "[ . 1 . 2]" 1 3317 1 96 VAL H 1 101 LYS QE . . 4.750 4.202 3.892 4.675 . 0 0 "[ . 1 . 2]" 1 3318 1 96 VAL HA 1 96 VAL QG . . 2.850 2.134 2.092 2.290 . 0 0 "[ . 1 . 2]" 1 3319 1 96 VAL HB 1 101 LYS QG . . 4.480 3.149 2.524 4.478 . 0 0 "[ . 1 . 2]" 1 3320 1 96 VAL HB 1 101 LYS QE . . 4.180 3.365 2.805 4.181 0.001 9 0 "[ . 1 . 2]" 1 3321 1 96 VAL QG 1 97 ASN H . . 3.340 2.724 2.423 2.990 . 0 0 "[ . 1 . 2]" 1 3322 1 96 VAL QG 1 97 ASN HB2 . . 5.200 4.738 4.575 4.924 . 0 0 "[ . 1 . 2]" 1 3323 1 96 VAL QG 1 97 ASN HB3 . . 5.180 4.695 4.494 4.926 . 0 0 "[ . 1 . 2]" 1 3324 1 96 VAL QG 1 97 ASN QD . . 5.240 3.729 3.564 3.919 . 0 0 "[ . 1 . 2]" 1 3325 1 96 VAL QG 1 98 ASP HA . . 5.440 4.422 4.069 4.590 . 0 0 "[ . 1 . 2]" 1 3326 1 96 VAL QG 1 100 ARG H . . 3.640 3.617 3.575 3.640 . 0 0 "[ . 1 . 2]" 1 3327 1 96 VAL QG 1 100 ARG HA . . 4.560 4.225 4.093 4.449 . 0 0 "[ . 1 . 2]" 1 3328 1 96 VAL QG 1 100 ARG HB2 . . 3.860 3.125 3.020 3.201 . 0 0 "[ . 1 . 2]" 1 3329 1 96 VAL QG 1 100 ARG HB3 . . 3.720 1.956 1.901 2.116 . 0 0 "[ . 1 . 2]" 1 3330 1 96 VAL QG 1 100 ARG HG2 . . 3.060 2.026 1.896 2.323 . 0 0 "[ . 1 . 2]" 1 3331 1 96 VAL QG 1 100 ARG HG3 . . 3.570 2.848 2.225 3.462 . 0 0 "[ . 1 . 2]" 1 3332 1 96 VAL QG 1 100 ARG QD . . 4.040 3.579 3.439 3.745 . 0 0 "[ . 1 . 2]" 1 3333 1 96 VAL QG 1 101 LYS H . . 3.240 2.887 2.583 3.023 . 0 0 "[ . 1 . 2]" 1 3334 1 96 VAL QG 1 101 LYS HA . . 3.860 3.270 2.848 3.524 . 0 0 "[ . 1 . 2]" 1 3335 1 96 VAL QG 1 101 LYS QG . . 3.600 2.386 1.930 2.656 . 0 0 "[ . 1 . 2]" 1 3336 1 96 VAL QG 1 101 LYS QE . . 4.520 3.195 1.762 3.592 . 0 0 "[ . 1 . 2]" 1 3337 1 96 VAL QG 1 102 GLY H . . 5.440 5.071 4.822 5.232 . 0 0 "[ . 1 . 2]" 1 3338 1 96 VAL QG 1 104 CYS QB . . 5.280 4.093 3.853 4.718 . 0 0 "[ . 1 . 2]" 1 3339 1 97 ASN H 1 97 ASN QD . . 4.390 3.640 3.524 3.793 . 0 0 "[ . 1 . 2]" 1 3340 1 97 ASN QD 1 99 VAL HB . . 4.530 1.911 1.895 1.931 . 0 0 "[ . 1 . 2]" 1 3341 1 97 ASN QD 1 99 VAL MG1 . . 5.340 3.301 3.262 3.352 . 0 0 "[ . 1 . 2]" 1 3342 1 97 ASN QD 1 99 VAL MG2 . . 4.860 2.867 2.711 3.166 . 0 0 "[ . 1 . 2]" 1 3343 1 97 ASN QD 1 100 ARG H . . 4.230 1.926 1.853 2.104 . 0 0 "[ . 1 . 2]" 1 3344 1 97 ASN QD 1 100 ARG HB2 . . 4.570 1.955 1.925 2.046 . 0 0 "[ . 1 . 2]" 1 3345 1 97 ASN QD 1 100 ARG HG2 . . 4.770 4.278 3.972 4.454 . 0 0 "[ . 1 . 2]" 1 3346 1 98 ASP H 1 98 ASP QB . . 3.470 2.392 2.052 2.695 . 0 0 "[ . 1 . 2]" 1 3347 1 98 ASP HA 1 101 LYS QG . . 3.940 3.120 2.018 3.707 . 0 0 "[ . 1 . 2]" 1 3348 1 98 ASP HA 1 101 LYS QE . . 3.700 2.960 2.670 3.618 . 0 0 "[ . 1 . 2]" 1 3349 1 98 ASP QB 1 99 VAL H . . 3.600 2.649 2.514 2.891 . 0 0 "[ . 1 . 2]" 1 3350 1 98 ASP QB 1 99 VAL MG1 . . 5.340 5.078 4.996 5.131 . 0 0 "[ . 1 . 2]" 1 3351 1 98 ASP QB 1 99 VAL MG2 . . 4.210 3.291 3.157 3.422 . 0 0 "[ . 1 . 2]" 1 3352 1 100 ARG H 1 100 ARG QD . . 4.600 4.380 4.315 4.435 . 0 0 "[ . 1 . 2]" 1 3353 1 100 ARG H 1 101 LYS QE . . 5.340 5.317 5.212 5.340 0.000 9 0 "[ . 1 . 2]" 1 3354 1 100 ARG HA 1 100 ARG QD . . 3.150 2.579 2.040 2.840 . 0 0 "[ . 1 . 2]" 1 3355 1 100 ARG HB2 1 100 ARG QD . . 3.480 2.124 1.978 2.423 . 0 0 "[ . 1 . 2]" 1 3356 1 100 ARG QD 1 101 LYS H . . 5.340 4.911 4.448 5.071 . 0 0 "[ . 1 . 2]" 1 3357 1 100 ARG QD 1 103 ALA H . . 5.340 4.770 3.741 5.187 . 0 0 "[ . 1 . 2]" 1 3358 1 100 ARG QD 1 103 ALA MB . . 3.500 3.128 2.462 3.500 . 0 0 "[ . 1 . 2]" 1 3359 1 101 LYS H 1 101 LYS QG . . 3.150 2.584 2.247 2.746 . 0 0 "[ . 1 . 2]" 1 3360 1 101 LYS H 1 101 LYS QE . . 5.340 4.086 3.900 4.229 . 0 0 "[ . 1 . 2]" 1 3361 1 101 LYS H 1 104 CYS QB . . 5.340 5.245 4.833 5.341 0.001 17 0 "[ . 1 . 2]" 1 3362 1 101 LYS HA 1 101 LYS QG . . 3.310 2.268 2.201 2.344 . 0 0 "[ . 1 . 2]" 1 3363 1 101 LYS HA 1 104 CYS QB . . 3.990 3.588 2.780 3.864 . 0 0 "[ . 1 . 2]" 1 3364 1 101 LYS HB2 1 101 LYS QE . . 4.510 3.363 3.044 3.783 . 0 0 "[ . 1 . 2]" 1 3365 1 101 LYS QE 1 101 LYS QG . . 3.010 2.042 1.948 2.193 . 0 0 "[ . 1 . 2]" 1 3366 1 103 ALA H 1 104 CYS QB . . 4.750 4.369 4.199 4.422 . 0 0 "[ . 1 . 2]" 1 3367 1 103 ALA MB 1 104 CYS QB . . 4.770 3.992 3.861 4.246 . 0 0 "[ . 1 . 2]" 1 3368 1 104 CYS H 1 104 CYS QB . . 2.860 2.447 2.120 2.555 . 0 0 "[ . 1 . 2]" 1 3369 1 104 CYS HA 1 108 VAL QG . . 5.440 4.609 4.025 5.002 . 0 0 "[ . 1 . 2]" 1 3370 1 104 CYS QB 1 105 ALA H . . 3.740 3.421 2.867 3.597 . 0 0 "[ . 1 . 2]" 1 3371 1 104 CYS QB 1 108 VAL QG . . 4.840 3.850 2.823 4.408 . 0 0 "[ . 1 . 2]" 1 3372 1 105 ALA HA 1 108 VAL QG . . 3.310 1.971 1.886 2.099 . 0 0 "[ . 1 . 2]" 1 3373 1 105 ALA MB 1 106 SER QB . . 4.770 4.177 3.881 4.566 . 0 0 "[ . 1 . 2]" 1 3374 1 106 SER QB 1 107 HIS HD2 . . 4.770 2.574 2.289 3.053 . 0 0 "[ . 1 . 2]" 1 3375 1 107 HIS H 1 108 VAL QG . . 3.920 3.604 3.492 3.770 . 0 0 "[ . 1 . 2]" 1 3376 1 107 HIS HB3 1 111 MET QG . . 4.560 3.335 2.843 3.689 . 0 0 "[ . 1 . 2]" 1 3377 1 108 VAL H 1 108 VAL QG . . 2.800 2.002 1.921 2.243 . 0 0 "[ . 1 . 2]" 1 3378 1 108 VAL H 1 109 SER QB . . 4.810 4.482 4.318 4.743 . 0 0 "[ . 1 . 2]" 1 3379 1 108 VAL HA 1 108 VAL QG . . 2.870 2.093 2.045 2.131 . 0 0 "[ . 1 . 2]" 1 3380 1 108 VAL QG 1 109 SER H . . 3.910 3.314 3.230 3.418 . 0 0 "[ . 1 . 2]" 1 3381 1 108 VAL QG 1 109 SER HA . . 4.130 3.543 3.470 3.649 . 0 0 "[ . 1 . 2]" 1 3382 1 108 VAL QG 1 112 ALA H . . 3.990 3.464 3.162 3.774 . 0 0 "[ . 1 . 2]" 1 3383 1 109 SER H 1 109 SER QB . . 3.360 2.171 2.054 2.368 . 0 0 "[ . 1 . 2]" 1 3384 1 109 SER QB 1 110 THR H . . 4.400 2.734 2.530 2.877 . 0 0 "[ . 1 . 2]" 1 3385 1 110 THR HB 1 111 MET QG . . 4.560 3.491 3.302 3.591 . 0 0 "[ . 1 . 2]" 1 3386 1 110 THR MG 1 113 SER QB . . 4.770 3.784 3.478 4.036 . 0 0 "[ . 1 . 2]" 1 3387 1 111 MET H 1 111 MET QG . . 2.960 2.510 2.333 2.626 . 0 0 "[ . 1 . 2]" 1 3388 1 111 MET ME 1 111 MET QG . . 2.840 2.369 2.263 2.416 . 0 0 "[ . 1 . 2]" 1 3389 1 111 MET QG 1 112 ALA H . . 4.940 4.231 4.156 4.320 . 0 0 "[ . 1 . 2]" 1 3390 1 111 MET QG 1 114 PHE QD . . 5.340 4.908 4.642 5.160 . 0 0 "[ . 1 . 2]" 1 3391 1 113 SER H 1 113 SER QB . . 2.660 2.116 2.056 2.261 . 0 0 "[ . 1 . 2]" 1 3392 1 113 SER HA 1 116 LYS QG . . 4.040 2.715 2.300 3.092 . 0 0 "[ . 1 . 2]" 1 3393 1 113 SER HA 1 116 LYS QE . . 4.570 3.486 2.554 4.321 . 0 0 "[ . 1 . 2]" 1 3394 1 113 SER QB 1 114 PHE H . . 3.350 2.687 2.427 2.830 . 0 0 "[ . 1 . 2]" 1 3395 1 113 SER QB 1 114 PHE HA . . 4.770 3.807 3.716 4.037 . 0 0 "[ . 1 . 2]" 1 3396 1 113 SER QB 1 114 PHE HB2 . . 5.340 4.323 4.157 4.432 . 0 0 "[ . 1 . 2]" 1 3397 1 113 SER QB 1 116 LYS QE . . 5.180 4.294 3.705 5.103 . 0 0 "[ . 1 . 2]" 1 3398 1 114 PHE H 1 116 LYS QG . . 5.270 4.767 4.598 4.925 . 0 0 "[ . 1 . 2]" 1 3399 1 116 LYS H 1 116 LYS QG . . 3.170 2.933 2.810 3.088 . 0 0 "[ . 1 . 2]" 1 3400 1 116 LYS H 1 116 LYS QE . . 5.340 5.161 5.006 5.322 . 0 0 "[ . 1 . 2]" 1 3401 1 116 LYS HA 1 116 LYS QG . . 3.450 2.193 2.136 2.279 . 0 0 "[ . 1 . 2]" 1 3402 1 116 LYS HA 1 116 LYS QE . . 4.770 4.377 3.882 4.560 . 0 0 "[ . 1 . 2]" 1 3403 1 116 LYS HA 1 117 GLY QA . . 4.550 4.098 4.088 4.116 . 0 0 "[ . 1 . 2]" 1 3404 1 116 LYS HB3 1 117 GLY QA . . 4.190 3.537 3.514 3.572 . 0 0 "[ . 1 . 2]" 1 3405 1 116 LYS QE 1 116 LYS QG . . 3.090 2.027 1.945 2.197 . 0 0 "[ . 1 . 2]" 1 3406 1 116 LYS QG 1 117 GLY H . . 4.220 3.702 3.603 3.846 . 0 0 "[ . 1 . 2]" 1 3407 1 119 HIS H 1 120 VAL QG . . 4.850 4.157 4.027 4.253 . 0 0 "[ . 1 . 2]" 1 3408 1 119 HIS HB2 1 120 VAL QG . . 4.000 2.943 2.785 3.128 . 0 0 "[ . 1 . 2]" 1 3409 1 119 HIS HB3 1 120 VAL QG . . 4.640 2.700 2.599 2.881 . 0 0 "[ . 1 . 2]" 1 3410 1 120 VAL H 1 120 VAL QG . . 3.300 2.824 2.771 2.925 . 0 0 "[ . 1 . 2]" 1 3411 1 120 VAL HB 1 139 VAL QG . . 4.820 3.830 3.420 4.047 . 0 0 "[ . 1 . 2]" 1 3412 1 120 VAL QG 1 121 THR H . . 3.190 2.364 1.942 2.899 . 0 0 "[ . 1 . 2]" 1 3413 1 120 VAL QG 1 121 THR HA . . 4.330 3.832 3.635 4.046 . 0 0 "[ . 1 . 2]" 1 3414 1 120 VAL QG 1 121 THR HB . . 4.620 4.396 4.140 4.620 . 0 0 "[ . 1 . 2]" 1 3415 1 120 VAL QG 1 122 ILE H . . 4.620 4.389 3.844 4.620 0.000 18 0 "[ . 1 . 2]" 1 3416 1 120 VAL QG 1 122 ILE HG13 . . 3.400 2.606 2.337 2.815 . 0 0 "[ . 1 . 2]" 1 3417 1 120 VAL QG 1 138 LYS HA . . 4.770 3.811 3.513 4.127 . 0 0 "[ . 1 . 2]" 1 3418 1 120 VAL QG 1 138 LYS HB2 . . 3.880 3.081 2.894 3.263 . 0 0 "[ . 1 . 2]" 1 3419 1 120 VAL QG 1 138 LYS HB3 . . 3.280 2.324 2.033 2.542 . 0 0 "[ . 1 . 2]" 1 3420 1 120 VAL QG 1 138 LYS HG2 . . 4.890 4.540 4.333 4.688 . 0 0 "[ . 1 . 2]" 1 3421 1 120 VAL QG 1 138 LYS QD . . 3.540 2.968 2.620 3.343 . 0 0 "[ . 1 . 2]" 1 3422 1 120 VAL QG 1 139 VAL H . . 4.630 4.099 3.793 4.348 . 0 0 "[ . 1 . 2]" 1 3423 1 120 VAL QG 1 139 VAL HA . . 3.640 2.656 2.214 3.003 . 0 0 "[ . 1 . 2]" 1 3424 1 120 VAL QG 1 141 SER H . . 5.440 4.239 3.652 4.678 . 0 0 "[ . 1 . 2]" 1 3425 1 121 THR MG 1 123 ASN QD . . 4.020 3.071 2.147 3.757 . 0 0 "[ . 1 . 2]" 1 3426 1 122 ILE HA 1 123 ASN QB . . 4.770 4.506 4.183 4.602 . 0 0 "[ . 1 . 2]" 1 3427 1 122 ILE HG12 1 138 LYS QD . . 3.560 2.299 1.978 2.657 . 0 0 "[ . 1 . 2]" 1 3428 1 122 ILE MD 1 138 LYS QD . . 3.150 2.421 1.953 2.899 . 0 0 "[ . 1 . 2]" 1 3429 1 122 ILE MD 1 138 LYS QE . . 4.340 2.678 1.969 4.131 . 0 0 "[ . 1 . 2]" 1 3430 1 123 ASN H 1 123 ASN QB . . 3.120 2.755 2.344 3.021 . 0 0 "[ . 1 . 2]" 1 3431 1 123 ASN H 1 123 ASN QD . . 4.060 3.142 2.180 4.057 . 0 0 "[ . 1 . 2]" 1 3432 1 123 ASN QB 1 123 ASN QD . . 3.030 2.215 2.063 2.549 . 0 0 "[ . 1 . 2]" 1 3433 1 123 ASN QB 1 124 ALA H . . 3.930 3.781 3.720 3.846 . 0 0 "[ . 1 . 2]" 1 3434 1 125 ARG H 1 125 ARG QB . . 3.620 2.764 2.543 2.874 . 0 0 "[ . 1 . 2]" 1 3435 1 125 ARG H 1 125 ARG QG . . 4.560 3.419 2.868 4.198 . 0 0 "[ . 1 . 2]" 1 3436 1 125 ARG HA 1 125 ARG QG . . 3.600 2.405 2.201 2.587 . 0 0 "[ . 1 . 2]" 1 3437 1 125 ARG HA 1 125 ARG QD . . 4.570 3.863 3.426 4.119 . 0 0 "[ . 1 . 2]" 1 3438 1 125 ARG QB 1 125 ARG QD . . 3.090 2.126 1.981 2.506 . 0 0 "[ . 1 . 2]" 1 3439 1 125 ARG QB 1 126 ALA H . . 3.840 2.553 2.522 2.651 . 0 0 "[ . 1 . 2]" 1 3440 1 125 ARG QG 1 126 ALA H . . 5.090 4.186 3.802 4.442 . 0 0 "[ . 1 . 2]" 1 3441 1 126 ALA HA 1 127 GLU QG . . 4.920 4.536 4.158 4.768 . 0 0 "[ . 1 . 2]" 1 3442 1 126 ALA MB 1 128 GLU QB . . 4.000 3.464 3.044 3.741 . 0 0 "[ . 1 . 2]" 1 3443 1 126 ALA MB 1 128 GLU QG . . 3.350 2.324 1.939 3.006 . 0 0 "[ . 1 . 2]" 1 3444 1 127 GLU H 1 127 GLU QG . . 3.330 3.083 2.711 3.323 . 0 0 "[ . 1 . 2]" 1 3445 1 127 GLU HA 1 127 GLU QG . . 3.260 2.198 2.083 2.298 . 0 0 "[ . 1 . 2]" 1 3446 1 127 GLU QG 1 130 VAL MG2 . . 4.100 3.008 2.831 3.137 . 0 0 "[ . 1 . 2]" 1 3447 1 128 GLU H 1 128 GLU QB . . 2.760 2.548 2.447 2.608 . 0 0 "[ . 1 . 2]" 1 3448 1 128 GLU H 1 128 GLU QG . . 3.370 2.122 1.958 2.273 . 0 0 "[ . 1 . 2]" 1 3449 1 128 GLU HA 1 128 GLU QG . . 3.530 3.148 2.505 3.349 . 0 0 "[ . 1 . 2]" 1 3450 1 128 GLU HA 1 131 GLU QG . . 4.430 4.197 3.438 4.265 . 0 0 "[ . 1 . 2]" 1 3451 1 128 GLU QB 1 129 ASP H . . 4.270 3.414 2.933 3.620 . 0 0 "[ . 1 . 2]" 1 3452 1 128 GLU QG 1 129 ASP H . . 4.000 2.842 2.116 3.995 . 0 0 "[ . 1 . 2]" 1 3453 1 131 GLU H 1 131 GLU QG . . 3.920 3.779 3.655 3.810 . 0 0 "[ . 1 . 2]" 1 3454 1 131 GLU HA 1 131 GLU QG . . 3.430 2.029 2.020 2.041 . 0 0 "[ . 1 . 2]" 1 3455 1 131 GLU QG 1 132 PRO HD2 . . 4.000 2.116 1.982 2.126 . 0 0 "[ . 1 . 2]" 1 3456 1 131 GLU QG 1 132 PRO HD3 . . 4.870 2.463 2.436 2.638 . 0 0 "[ . 1 . 2]" 1 3457 1 131 GLU QG 1 133 GLU H . . 4.100 4.086 3.869 4.101 0.001 5 0 "[ . 1 . 2]" 1 3458 1 131 GLU QG 1 134 CYS H . . 4.560 4.483 4.430 4.513 . 0 0 "[ . 1 . 2]" 1 3459 1 131 GLU QG 1 134 CYS HB2 . . 4.480 4.441 4.339 4.480 . 0 0 "[ . 1 . 2]" 1 3460 1 133 GLU H 1 133 GLU QB . . 3.420 2.564 2.454 2.662 . 0 0 "[ . 1 . 2]" 1 3461 1 133 GLU H 1 133 GLU QG . . 3.400 2.007 1.935 2.198 . 0 0 "[ . 1 . 2]" 1 3462 1 133 GLU HA 1 133 GLU QB . . 2.600 2.186 2.177 2.309 . 0 0 "[ . 1 . 2]" 1 3463 1 133 GLU HA 1 133 GLU QG . . 3.500 3.297 2.517 3.341 . 0 0 "[ . 1 . 2]" 1 3464 1 133 GLU QB 1 134 CYS H . . 3.930 3.379 2.629 3.538 . 0 0 "[ . 1 . 2]" 1 3465 1 133 GLU QB 1 134 CYS HA . . 4.770 4.282 3.849 4.437 . 0 0 "[ . 1 . 2]" 1 3466 1 133 GLU QG 1 134 CYS H . . 3.920 2.173 1.943 3.845 . 0 0 "[ . 1 . 2]" 1 3467 1 134 CYS HA 1 137 GLU QB . . 3.410 3.047 2.758 3.112 . 0 0 "[ . 1 . 2]" 1 3468 1 134 CYS HA 1 137 GLU QG . . 4.270 3.841 3.450 4.267 . 0 0 "[ . 1 . 2]" 1 3469 1 135 ILE HA 1 138 LYS QD . . 5.290 4.974 4.603 5.234 . 0 0 "[ . 1 . 2]" 1 3470 1 135 ILE HB 1 139 VAL QG . . 5.440 3.902 3.675 4.081 . 0 0 "[ . 1 . 2]" 1 3471 1 136 MET H 1 137 GLU QB . . 4.610 4.384 4.335 4.427 . 0 0 "[ . 1 . 2]" 1 3472 1 136 MET H 1 139 VAL QG . . 4.850 3.753 3.573 3.850 . 0 0 "[ . 1 . 2]" 1 3473 1 136 MET HA 1 139 VAL QG . . 3.280 1.975 1.963 2.078 . 0 0 "[ . 1 . 2]" 1 3474 1 136 MET HG2 1 139 VAL QG . . 5.370 3.081 2.910 3.240 . 0 0 "[ . 1 . 2]" 1 3475 1 136 MET ME 1 139 VAL QG . . 3.030 2.019 1.912 2.256 . 0 0 "[ . 1 . 2]" 1 3476 1 137 GLU H 1 137 GLU QB . . 2.710 2.125 2.084 2.230 . 0 0 "[ . 1 . 2]" 1 3477 1 137 GLU H 1 137 GLU QG . . 4.290 3.181 2.898 3.973 . 0 0 "[ . 1 . 2]" 1 3478 1 137 GLU H 1 139 VAL QG . . 4.850 4.378 4.268 4.510 . 0 0 "[ . 1 . 2]" 1 3479 1 137 GLU HA 1 137 GLU QG . . 3.510 2.357 2.056 3.058 . 0 0 "[ . 1 . 2]" 1 3480 1 137 GLU QB 1 138 LYS H . . 3.090 2.948 2.909 2.968 . 0 0 "[ . 1 . 2]" 1 3481 1 137 GLU QG 1 138 LYS H . . 4.780 4.513 3.719 4.726 . 0 0 "[ . 1 . 2]" 1 3482 1 138 LYS H 1 139 VAL QG . . 4.160 3.555 3.438 3.612 . 0 0 "[ . 1 . 2]" 1 3483 1 138 LYS HA 1 138 LYS QD . . 3.540 3.258 3.113 3.557 0.017 9 0 "[ . 1 . 2]" 1 3484 1 138 LYS HB2 1 138 LYS QD . . 3.590 2.937 2.898 3.028 . 0 0 "[ . 1 . 2]" 1 3485 1 138 LYS HB3 1 138 LYS QD . . 3.290 2.092 1.977 2.163 . 0 0 "[ . 1 . 2]" 1 3486 1 138 LYS QE 1 138 LYS HG2 . . 3.410 2.559 2.174 2.808 . 0 0 "[ . 1 . 2]" 1 3487 1 138 LYS HG2 1 139 VAL QG . . 5.440 5.426 5.244 5.441 0.001 2 0 "[ . 1 . 2]" 1 3488 1 138 LYS QE 1 138 LYS HG3 . . 3.650 2.320 2.024 3.162 . 0 0 "[ . 1 . 2]" 1 3489 1 139 VAL H 1 139 VAL QG . . 2.920 2.166 2.018 2.289 . 0 0 "[ . 1 . 2]" 1 3490 1 139 VAL HA 1 139 VAL QG . . 2.760 2.085 2.045 2.106 . 0 0 "[ . 1 . 2]" 1 3491 1 139 VAL QG 1 140 ALA H . . 3.450 3.308 3.262 3.356 . 0 0 "[ . 1 . 2]" 1 3492 1 139 VAL QG 1 140 ALA HA . . 3.890 3.565 3.474 3.611 . 0 0 "[ . 1 . 2]" 1 3493 1 139 VAL QG 1 140 ALA MB . . 4.050 3.981 3.864 4.049 . 0 0 "[ . 1 . 2]" 1 3494 1 139 VAL QG 1 141 SER H . . 4.720 4.586 4.435 4.720 . 0 0 "[ . 1 . 2]" 1 3495 1 140 ALA MB 1 141 SER QB . . 4.690 3.998 3.717 4.551 . 0 0 "[ . 1 . 2]" 1 3496 1 141 SER H 1 141 SER QB . . 3.000 2.231 2.064 2.896 . 0 0 "[ . 1 . 2]" 1 3497 1 141 SER QB 1 142 GLY H . . 4.400 3.816 3.501 3.984 . 0 0 "[ . 1 . 2]" 1 3498 1 142 GLY H 1 143 PRO QD . . 4.560 3.735 1.958 4.351 . 0 0 "[ . 1 . 2]" 1 3499 1 142 GLY QA 1 143 PRO QD . . 3.290 2.062 1.970 2.222 . 0 0 "[ . 1 . 2]" 1 3500 1 142 GLY QA 1 143 PRO QG . . 4.760 3.764 3.676 4.017 . 0 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 5 _Distance_constraint_stats_list.Viol_count 95 _Distance_constraint_stats_list.Viol_total 12.674 _Distance_constraint_stats_list.Viol_max 0.014 _Distance_constraint_stats_list.Viol_rms 0.0042 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0063 _Distance_constraint_stats_list.Viol_average_violations_only 0.0067 _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 17 PRO 0.073 0.008 13 0 "[ . 1 . 2]" 1 32 PRO 0.241 0.014 17 0 "[ . 1 . 2]" 1 79 PRO 0.187 0.013 6 0 "[ . 1 . 2]" 1 84 PRO 0.037 0.006 13 0 "[ . 1 . 2]" 1 143 PRO 0.096 0.008 5 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 17 PRO CG 1 17 PRO N . . 2.330 2.334 2.329 2.338 0.008 13 0 "[ . 1 . 2]" 2 2 1 32 PRO CG 1 32 PRO N . . 2.330 2.342 2.341 2.344 0.014 17 0 "[ . 1 . 2]" 2 3 1 79 PRO CG 1 79 PRO N . . 2.330 2.339 2.338 2.343 0.013 6 0 "[ . 1 . 2]" 2 4 1 84 PRO CG 1 84 PRO N . . 2.330 2.332 2.326 2.336 0.006 13 0 "[ . 1 . 2]" 2 5 1 143 PRO CG 1 143 PRO N . . 2.330 2.335 2.331 2.338 0.008 5 0 "[ . 1 . 2]" 2 stop_ save_
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