NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
414537 | 2ctk | 11136 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2ctk 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 2065 _Distance_constraint_stats_list.Viol_count 257 _Distance_constraint_stats_list.Viol_total 31.062 _Distance_constraint_stats_list.Viol_max 0.070 _Distance_constraint_stats_list.Viol_rms 0.0010 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0000 _Distance_constraint_stats_list.Viol_average_violations_only 0.0060 _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 LYS 0.007 0.005 18 0 "[ . 1 . 2]" 1 9 GLU 0.063 0.044 14 0 "[ . 1 . 2]" 1 10 ALA 0.072 0.044 14 0 "[ . 1 . 2]" 1 11 LEU 0.182 0.059 2 0 "[ . 1 . 2]" 1 12 GLU 0.073 0.036 10 0 "[ . 1 . 2]" 1 13 ALA 0.009 0.005 2 0 "[ . 1 . 2]" 1 14 LEU 0.005 0.003 11 0 "[ . 1 . 2]" 1 15 VAL 0.010 0.009 20 0 "[ . 1 . 2]" 1 16 PRO 0.014 0.009 20 0 "[ . 1 . 2]" 1 17 VAL 0.006 0.004 9 0 "[ . 1 . 2]" 1 18 THR 0.000 0.000 . 0 "[ . 1 . 2]" 1 19 ILE 0.001 0.001 2 0 "[ . 1 . 2]" 1 20 GLU 0.000 0.000 . 0 "[ . 1 . 2]" 1 21 VAL 0.009 0.003 14 0 "[ . 1 . 2]" 1 22 GLU 0.021 0.004 1 0 "[ . 1 . 2]" 1 23 VAL 0.051 0.021 2 0 "[ . 1 . 2]" 1 24 PRO 0.023 0.021 2 0 "[ . 1 . 2]" 1 25 PHE 0.005 0.002 18 0 "[ . 1 . 2]" 1 26 ASP 0.002 0.002 20 0 "[ . 1 . 2]" 1 27 LEU 0.000 0.000 . 0 "[ . 1 . 2]" 1 28 HIS 0.004 0.003 2 0 "[ . 1 . 2]" 1 29 ARG 0.003 0.003 14 0 "[ . 1 . 2]" 1 30 TYR 0.007 0.002 1 0 "[ . 1 . 2]" 1 31 VAL 0.002 0.002 2 0 "[ . 1 . 2]" 1 32 ILE 0.002 0.001 6 0 "[ . 1 . 2]" 1 33 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 34 GLN 0.000 0.000 . 0 "[ . 1 . 2]" 1 35 LYS 0.003 0.003 19 0 "[ . 1 . 2]" 1 36 GLY 0.001 0.001 6 0 "[ . 1 . 2]" 1 37 SER 0.006 0.006 18 0 "[ . 1 . 2]" 1 38 GLY 0.028 0.015 18 0 "[ . 1 . 2]" 1 39 ILE 0.017 0.012 18 0 "[ . 1 . 2]" 1 40 ARG 0.099 0.027 9 0 "[ . 1 . 2]" 1 41 LYS 0.198 0.070 18 0 "[ . 1 . 2]" 1 42 MET 0.202 0.070 18 0 "[ . 1 . 2]" 1 43 MET 0.058 0.015 20 0 "[ . 1 . 2]" 1 44 ASP 0.040 0.013 20 0 "[ . 1 . 2]" 1 45 GLU 0.133 0.051 20 0 "[ . 1 . 2]" 1 46 PHE 0.053 0.015 20 0 "[ . 1 . 2]" 1 47 GLU 0.036 0.018 2 0 "[ . 1 . 2]" 1 48 VAL 0.022 0.007 20 0 "[ . 1 . 2]" 1 49 ASN 0.003 0.003 16 0 "[ . 1 . 2]" 1 50 ILE 0.003 0.001 18 0 "[ . 1 . 2]" 1 51 HIS 0.055 0.022 12 0 "[ . 1 . 2]" 1 52 VAL 0.014 0.014 12 0 "[ . 1 . 2]" 1 53 PRO 0.026 0.022 12 0 "[ . 1 . 2]" 1 54 ALA 0.014 0.006 19 0 "[ . 1 . 2]" 1 55 PRO 0.013 0.006 19 0 "[ . 1 . 2]" 1 56 GLU 0.084 0.043 9 0 "[ . 1 . 2]" 1 57 LEU 0.003 0.001 19 0 "[ . 1 . 2]" 1 58 GLN 0.009 0.005 19 0 "[ . 1 . 2]" 1 59 SER 0.012 0.012 12 0 "[ . 1 . 2]" 1 60 ASP 0.017 0.009 2 0 "[ . 1 . 2]" 1 61 ILE 0.025 0.012 12 0 "[ . 1 . 2]" 1 62 ILE 0.025 0.005 5 0 "[ . 1 . 2]" 1 63 ALA 0.047 0.022 12 0 "[ . 1 . 2]" 1 64 ILE 0.004 0.002 2 0 "[ . 1 . 2]" 1 65 THR 0.003 0.003 16 0 "[ . 1 . 2]" 1 66 GLY 0.003 0.002 17 0 "[ . 1 . 2]" 1 67 LEU 0.008 0.003 11 0 "[ . 1 . 2]" 1 68 ALA 0.002 0.001 16 0 "[ . 1 . 2]" 1 69 ALA 0.001 0.001 16 0 "[ . 1 . 2]" 1 70 ASN 0.002 0.001 1 0 "[ . 1 . 2]" 1 71 LEU 0.002 0.001 16 0 "[ . 1 . 2]" 1 72 ASP 0.004 0.002 2 0 "[ . 1 . 2]" 1 73 ARG 0.095 0.034 17 0 "[ . 1 . 2]" 1 74 ALA 0.034 0.011 2 0 "[ . 1 . 2]" 1 75 LYS 0.000 0.000 8 0 "[ . 1 . 2]" 1 76 ALA 0.000 0.000 20 0 "[ . 1 . 2]" 1 77 GLY 0.008 0.003 13 0 "[ . 1 . 2]" 1 78 LEU 0.009 0.005 11 0 "[ . 1 . 2]" 1 79 LEU 0.016 0.004 1 0 "[ . 1 . 2]" 1 80 GLU 0.014 0.009 11 0 "[ . 1 . 2]" 1 81 ARG 0.003 0.002 18 0 "[ . 1 . 2]" 1 82 VAL 0.008 0.005 11 0 "[ . 1 . 2]" 1 83 LYS 0.021 0.009 11 0 "[ . 1 . 2]" 1 84 GLU 0.067 0.037 19 0 "[ . 1 . 2]" 1 85 LEU 0.010 0.002 1 0 "[ . 1 . 2]" 1 86 GLN 0.017 0.006 6 0 "[ . 1 . 2]" 1 87 ALA 0.023 0.006 6 0 "[ . 1 . 2]" 1 88 GLU 0.010 0.005 9 0 "[ . 1 . 2]" 1 89 GLN 0.002 0.001 10 0 "[ . 1 . 2]" 1 90 GLU 0.001 0.001 6 0 "[ . 1 . 2]" 1 91 ASP 0.006 0.003 16 0 "[ . 1 . 2]" 1 92 ARG 0.080 0.027 17 0 "[ . 1 . 2]" 1 93 ALA 0.085 0.027 17 0 "[ . 1 . 2]" 1 94 LEU 0.082 0.063 20 0 "[ . 1 . 2]" 1 95 ARG 0.000 0.000 . 0 "[ . 1 . 2]" 1 98 LYS 0.000 0.000 . 0 "[ . 1 . 2]" 1 99 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 100 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 101 PRO 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 7 GLY H 1 8 LYS H . . 4.750 3.661 2.188 4.636 . 0 0 "[ . 1 . 2]" 1 2 1 7 GLY QA 1 8 LYS QG . . 5.390 4.090 3.436 4.895 . 0 0 "[ . 1 . 2]" 1 3 1 8 LYS H 1 8 LYS QE . . 4.780 3.966 2.466 4.704 . 0 0 "[ . 1 . 2]" 1 4 1 8 LYS H 1 8 LYS QG . . 4.430 2.655 1.899 3.602 . 0 0 "[ . 1 . 2]" 1 5 1 8 LYS H 1 9 GLU H . . 4.890 4.271 2.217 4.639 . 0 0 "[ . 1 . 2]" 1 6 1 8 LYS HA 1 9 GLU QB . . 4.990 4.190 3.787 4.990 . 0 0 "[ . 1 . 2]" 1 7 1 8 LYS HA 1 9 GLU QG . . 5.500 4.418 3.473 5.505 0.005 18 0 "[ . 1 . 2]" 1 8 1 8 LYS QB 1 9 GLU H . . 4.420 2.675 2.037 3.564 . 0 0 "[ . 1 . 2]" 1 9 1 8 LYS QB 1 9 GLU HA . . 4.150 4.060 3.855 4.152 0.002 3 0 "[ . 1 . 2]" 1 10 1 8 LYS QG 1 9 GLU H . . 5.380 3.909 3.149 4.373 . 0 0 "[ . 1 . 2]" 1 11 1 9 GLU H 1 9 GLU QB . . 3.730 2.910 2.492 3.276 . 0 0 "[ . 1 . 2]" 1 12 1 9 GLU H 1 9 GLU QG . . 4.240 3.302 2.385 4.246 0.006 4 0 "[ . 1 . 2]" 1 13 1 9 GLU H 1 10 ALA H . . 4.460 4.266 3.708 4.461 0.001 15 0 "[ . 1 . 2]" 1 14 1 9 GLU H 1 10 ALA MB . . 5.500 4.360 3.797 5.124 . 0 0 "[ . 1 . 2]" 1 15 1 9 GLU HA 1 9 GLU QG . . 3.500 2.776 2.150 3.468 . 0 0 "[ . 1 . 2]" 1 16 1 9 GLU HA 1 10 ALA H . . 3.480 2.262 2.153 2.505 . 0 0 "[ . 1 . 2]" 1 17 1 9 GLU HA 1 10 ALA MB . . 4.800 3.893 3.755 4.164 . 0 0 "[ . 1 . 2]" 1 18 1 9 GLU QB 1 10 ALA H . . 4.440 2.900 2.244 3.876 . 0 0 "[ . 1 . 2]" 1 19 1 9 GLU QB 1 10 ALA HA . . 5.500 4.208 3.732 4.815 . 0 0 "[ . 1 . 2]" 1 20 1 9 GLU QG 1 10 ALA HA . . 5.500 4.534 3.348 5.544 0.044 14 0 "[ . 1 . 2]" 1 21 1 10 ALA H 1 10 ALA MB . . 3.400 2.663 2.288 2.948 . 0 0 "[ . 1 . 2]" 1 22 1 10 ALA H 1 11 LEU H . . 3.950 3.680 2.483 3.944 . 0 0 "[ . 1 . 2]" 1 23 1 10 ALA HA 1 11 LEU H . . 3.070 2.299 2.142 3.059 . 0 0 "[ . 1 . 2]" 1 24 1 10 ALA MB 1 11 LEU H . . 3.560 3.420 3.218 3.583 0.023 17 0 "[ . 1 . 2]" 1 25 1 11 LEU H 1 11 LEU QB . . 3.120 2.723 2.419 3.103 . 0 0 "[ . 1 . 2]" 1 26 1 11 LEU H 1 12 GLU H . . 4.340 4.247 3.996 4.355 0.015 2 0 "[ . 1 . 2]" 1 27 1 11 LEU HA 1 11 LEU MD1 . . 4.020 2.877 2.232 4.045 0.025 2 0 "[ . 1 . 2]" 1 28 1 11 LEU HA 1 11 LEU MD2 . . 4.020 3.784 3.313 4.023 0.003 10 0 "[ . 1 . 2]" 1 29 1 11 LEU HA 1 11 LEU HG . . 3.520 3.112 2.540 3.579 0.059 2 0 "[ . 1 . 2]" 1 30 1 11 LEU HA 1 12 GLU H . . 3.230 2.222 2.146 2.637 . 0 0 "[ . 1 . 2]" 1 31 1 11 LEU QB 1 11 LEU QD . . 2.800 1.861 1.774 1.912 . 0 0 "[ . 1 . 2]" 1 32 1 11 LEU QB 1 12 GLU H . . 4.190 3.550 2.333 3.770 . 0 0 "[ . 1 . 2]" 1 33 1 11 LEU QD 1 12 GLU H . . 4.790 2.335 1.865 3.121 . 0 0 "[ . 1 . 2]" 1 34 1 11 LEU QD 1 12 GLU HA . . 3.920 3.433 2.634 3.884 . 0 0 "[ . 1 . 2]" 1 35 1 11 LEU QD 1 12 GLU QB . . 4.210 4.070 3.743 4.246 0.036 10 0 "[ . 1 . 2]" 1 36 1 11 LEU QD 1 12 GLU QG . . 4.780 4.226 3.078 4.771 . 0 0 "[ . 1 . 2]" 1 37 1 11 LEU QD 1 13 ALA H . . 4.730 3.675 2.563 4.377 . 0 0 "[ . 1 . 2]" 1 38 1 11 LEU MD1 1 13 ALA MB . . 4.300 3.304 2.797 3.900 . 0 0 "[ . 1 . 2]" 1 39 1 11 LEU MD2 1 13 ALA MB . . 4.300 3.295 2.071 4.305 0.005 2 0 "[ . 1 . 2]" 1 40 1 11 LEU HG 1 12 GLU H . . 4.080 2.837 2.261 3.375 . 0 0 "[ . 1 . 2]" 1 41 1 11 LEU HG 1 13 ALA H . . 4.900 4.207 3.520 4.887 . 0 0 "[ . 1 . 2]" 1 42 1 12 GLU H 1 12 GLU HB2 . . 4.040 3.521 2.731 4.030 . 0 0 "[ . 1 . 2]" 1 43 1 12 GLU H 1 12 GLU QB . . 3.230 2.774 2.435 3.232 0.002 2 0 "[ . 1 . 2]" 1 44 1 12 GLU H 1 12 GLU HB3 . . 4.040 2.945 2.527 3.721 . 0 0 "[ . 1 . 2]" 1 45 1 12 GLU H 1 12 GLU QG . . 4.000 3.280 1.936 4.000 0.000 11 0 "[ . 1 . 2]" 1 46 1 12 GLU H 1 13 ALA H . . 4.240 4.177 3.831 4.241 0.001 15 0 "[ . 1 . 2]" 1 47 1 12 GLU H 1 13 ALA MB . . 4.520 4.250 3.826 4.522 0.002 10 0 "[ . 1 . 2]" 1 48 1 12 GLU HA 1 13 ALA H . . 3.130 2.148 2.138 2.182 . 0 0 "[ . 1 . 2]" 1 49 1 12 GLU HA 1 13 ALA MB . . 4.080 3.978 3.861 4.027 . 0 0 "[ . 1 . 2]" 1 50 1 12 GLU QB 1 12 GLU QG . . 2.340 2.061 1.994 2.086 . 0 0 "[ . 1 . 2]" 1 51 1 12 GLU QB 1 13 ALA H . . 3.860 3.559 3.046 3.860 . 0 0 "[ . 1 . 2]" 1 52 1 12 GLU HB2 1 13 ALA H . . 4.470 3.881 3.124 4.330 . 0 0 "[ . 1 . 2]" 1 53 1 12 GLU HB3 1 13 ALA H . . 4.470 4.286 3.249 4.421 . 0 0 "[ . 1 . 2]" 1 54 1 12 GLU QG 1 13 ALA H . . 4.790 3.505 2.764 4.406 . 0 0 "[ . 1 . 2]" 1 55 1 12 GLU QG 1 13 ALA HA . . 5.340 3.744 3.317 5.341 0.001 15 0 "[ . 1 . 2]" 1 56 1 13 ALA H 1 13 ALA MB . . 3.010 2.626 2.403 2.898 . 0 0 "[ . 1 . 2]" 1 57 1 13 ALA HA 1 14 LEU H . . 3.350 2.224 2.142 2.505 . 0 0 "[ . 1 . 2]" 1 58 1 13 ALA HA 1 14 LEU HG . . 4.730 4.342 3.545 4.704 . 0 0 "[ . 1 . 2]" 1 59 1 13 ALA HA 1 15 VAL H . . 4.700 4.083 3.625 4.557 . 0 0 "[ . 1 . 2]" 1 60 1 13 ALA MB 1 14 LEU H . . 3.570 2.941 2.234 3.271 . 0 0 "[ . 1 . 2]" 1 61 1 13 ALA MB 1 15 VAL H . . 4.900 3.287 2.784 4.211 . 0 0 "[ . 1 . 2]" 1 62 1 13 ALA MB 1 15 VAL QG . . 4.510 3.417 2.398 4.453 . 0 0 "[ . 1 . 2]" 1 63 1 14 LEU H 1 14 LEU QB . . 3.110 2.635 2.330 3.042 . 0 0 "[ . 1 . 2]" 1 64 1 14 LEU H 1 14 LEU MD1 . . 3.930 3.364 1.871 3.930 . 0 0 "[ . 1 . 2]" 1 65 1 14 LEU H 1 14 LEU QD . . 3.420 2.523 1.852 3.206 . 0 0 "[ . 1 . 2]" 1 66 1 14 LEU H 1 14 LEU MD2 . . 3.930 3.075 1.855 3.916 . 0 0 "[ . 1 . 2]" 1 67 1 14 LEU H 1 14 LEU HG . . 2.910 2.490 2.092 2.843 . 0 0 "[ . 1 . 2]" 1 68 1 14 LEU H 1 15 VAL H . . 3.230 2.431 1.890 3.028 . 0 0 "[ . 1 . 2]" 1 69 1 14 LEU H 1 15 VAL QG . . 4.570 3.684 3.215 4.473 . 0 0 "[ . 1 . 2]" 1 70 1 14 LEU H 1 67 LEU MD2 . . 4.710 4.535 4.174 4.713 0.003 11 0 "[ . 1 . 2]" 1 71 1 14 LEU HA 1 14 LEU MD1 . . 4.170 3.764 3.448 4.108 . 0 0 "[ . 1 . 2]" 1 72 1 14 LEU HA 1 14 LEU QD . . 3.360 3.048 1.970 3.357 . 0 0 "[ . 1 . 2]" 1 73 1 14 LEU HA 1 14 LEU MD2 . . 4.170 3.408 1.975 4.095 . 0 0 "[ . 1 . 2]" 1 74 1 14 LEU HA 1 14 LEU HG . . 3.990 3.340 2.528 3.726 . 0 0 "[ . 1 . 2]" 1 75 1 14 LEU HA 1 67 LEU MD1 . . 4.630 4.167 3.834 4.456 . 0 0 "[ . 1 . 2]" 1 76 1 14 LEU HA 1 67 LEU MD2 . . 3.560 3.315 2.987 3.561 0.001 12 0 "[ . 1 . 2]" 1 77 1 14 LEU QB 1 14 LEU QD . . 2.780 1.813 1.738 1.918 . 0 0 "[ . 1 . 2]" 1 78 1 14 LEU QB 1 15 VAL H . . 3.500 3.015 2.085 3.481 . 0 0 "[ . 1 . 2]" 1 79 1 14 LEU QB 1 15 VAL HA . . 4.910 4.169 3.816 4.574 . 0 0 "[ . 1 . 2]" 1 80 1 14 LEU HB2 1 15 VAL H . . 4.000 3.232 2.111 3.974 . 0 0 "[ . 1 . 2]" 1 81 1 14 LEU HB3 1 15 VAL H . . 4.000 3.807 3.239 4.000 0.000 14 0 "[ . 1 . 2]" 1 82 1 14 LEU QD 1 15 VAL H . . 4.730 3.065 2.421 4.002 . 0 0 "[ . 1 . 2]" 1 83 1 14 LEU HG 1 15 VAL H . . 5.240 2.979 1.899 4.813 . 0 0 "[ . 1 . 2]" 1 84 1 15 VAL H 1 15 VAL HB . . 3.100 2.682 2.474 2.908 . 0 0 "[ . 1 . 2]" 1 85 1 15 VAL H 1 15 VAL MG1 . . 4.160 2.475 1.865 3.805 . 0 0 "[ . 1 . 2]" 1 86 1 15 VAL H 1 15 VAL QG . . 2.900 2.032 1.860 2.432 . 0 0 "[ . 1 . 2]" 1 87 1 15 VAL H 1 15 VAL MG2 . . 4.160 3.352 2.169 3.816 . 0 0 "[ . 1 . 2]" 1 88 1 15 VAL H 1 16 PRO HD2 . . 4.890 4.830 4.807 4.842 . 0 0 "[ . 1 . 2]" 1 89 1 15 VAL H 1 16 PRO HD3 . . 4.970 4.893 4.842 4.920 . 0 0 "[ . 1 . 2]" 1 90 1 15 VAL H 1 67 LEU MD2 . . 4.210 4.122 3.919 4.210 . 5 0 "[ . 1 . 2]" 1 91 1 15 VAL HA 1 15 VAL MG1 . . 3.310 2.977 2.429 3.204 . 0 0 "[ . 1 . 2]" 1 92 1 15 VAL HA 1 15 VAL MG2 . . 3.310 2.391 2.290 2.471 . 0 0 "[ . 1 . 2]" 1 93 1 15 VAL HA 1 16 PRO HD2 . . 3.100 2.158 2.106 2.180 . 0 0 "[ . 1 . 2]" 1 94 1 15 VAL HA 1 16 PRO HD3 . . 3.000 2.254 2.252 2.258 . 0 0 "[ . 1 . 2]" 1 95 1 15 VAL HA 1 16 PRO QG . . 4.280 3.862 3.835 3.874 . 0 0 "[ . 1 . 2]" 1 96 1 15 VAL HA 1 67 LEU MD2 . . 4.080 3.747 3.489 3.966 . 0 0 "[ . 1 . 2]" 1 97 1 15 VAL HB 1 16 PRO HD2 . . 4.070 3.706 3.489 4.079 0.009 20 0 "[ . 1 . 2]" 1 98 1 15 VAL HB 1 16 PRO HD3 . . 4.990 4.642 4.454 4.954 . 0 0 "[ . 1 . 2]" 1 99 1 15 VAL QG 1 16 PRO HB2 . . 4.860 4.205 4.148 4.286 . 0 0 "[ . 1 . 2]" 1 100 1 15 VAL QG 1 16 PRO HD2 . . 3.340 1.826 1.801 1.908 . 0 0 "[ . 1 . 2]" 1 101 1 15 VAL QG 1 16 PRO HD3 . . 3.710 3.099 3.036 3.170 . 0 0 "[ . 1 . 2]" 1 102 1 15 VAL QG 1 16 PRO QG . . 4.480 2.859 2.814 2.920 . 0 0 "[ . 1 . 2]" 1 103 1 15 VAL MG1 1 16 PRO HD2 . . 4.110 3.308 1.811 4.029 . 0 0 "[ . 1 . 2]" 1 104 1 15 VAL MG1 1 16 PRO HD3 . . 4.750 4.221 3.136 4.720 . 0 0 "[ . 1 . 2]" 1 105 1 15 VAL MG2 1 16 PRO HD2 . . 4.110 2.281 1.804 3.412 . 0 0 "[ . 1 . 2]" 1 106 1 15 VAL MG2 1 16 PRO HD3 . . 4.750 3.434 3.144 4.110 . 0 0 "[ . 1 . 2]" 1 107 1 16 PRO HA 1 17 VAL H . . 2.800 2.538 2.498 2.631 . 0 0 "[ . 1 . 2]" 1 108 1 16 PRO HA 1 17 VAL MG1 . . 4.370 3.769 3.637 3.977 . 0 0 "[ . 1 . 2]" 1 109 1 16 PRO HA 1 17 VAL MG2 . . 4.020 3.331 3.244 3.409 . 0 0 "[ . 1 . 2]" 1 110 1 16 PRO HA 1 65 THR MG . . 4.760 4.588 4.469 4.752 . 0 0 "[ . 1 . 2]" 1 111 1 16 PRO HA 1 66 GLY H . . 4.380 4.279 4.118 4.374 . 0 0 "[ . 1 . 2]" 1 112 1 16 PRO HA 1 67 LEU H . . 4.060 3.875 3.653 4.060 . 0 0 "[ . 1 . 2]" 1 113 1 16 PRO HA 1 67 LEU MD2 . . 3.450 2.173 1.984 2.412 . 0 0 "[ . 1 . 2]" 1 114 1 16 PRO HA 1 67 LEU HG . . 4.900 3.628 3.343 3.985 . 0 0 "[ . 1 . 2]" 1 115 1 16 PRO HA 1 68 ALA H . . 4.260 4.042 3.891 4.173 . 0 0 "[ . 1 . 2]" 1 116 1 16 PRO HB2 1 17 VAL H . . 3.780 2.289 2.084 2.378 . 0 0 "[ . 1 . 2]" 1 117 1 16 PRO HB2 1 17 VAL HA . . 4.420 4.071 4.050 4.105 . 0 0 "[ . 1 . 2]" 1 118 1 16 PRO HB2 1 17 VAL MG2 . . 5.180 4.077 3.877 4.208 . 0 0 "[ . 1 . 2]" 1 119 1 16 PRO HB2 1 65 THR HA . . 5.260 4.246 4.014 4.524 . 0 0 "[ . 1 . 2]" 1 120 1 16 PRO HB2 1 65 THR MG . . 3.470 2.265 2.099 2.414 . 0 0 "[ . 1 . 2]" 1 121 1 16 PRO HB2 1 66 GLY H . . 4.190 2.490 2.187 2.776 . 0 0 "[ . 1 . 2]" 1 122 1 16 PRO HB2 1 66 GLY HA2 . . 4.520 2.608 2.234 2.921 . 0 0 "[ . 1 . 2]" 1 123 1 16 PRO HB2 1 66 GLY HA3 . . 4.520 3.985 3.565 4.316 . 0 0 "[ . 1 . 2]" 1 124 1 16 PRO HB2 1 67 LEU MD2 . . 4.490 4.236 3.955 4.486 . 0 0 "[ . 1 . 2]" 1 125 1 16 PRO HB3 1 17 VAL H . . 3.660 3.300 3.213 3.339 . 0 0 "[ . 1 . 2]" 1 126 1 16 PRO HB3 1 65 THR MG . . 3.770 3.589 3.359 3.761 . 0 0 "[ . 1 . 2]" 1 127 1 16 PRO HB3 1 66 GLY H . . 4.170 3.702 3.471 3.927 . 0 0 "[ . 1 . 2]" 1 128 1 16 PRO HB3 1 66 GLY HA2 . . 4.460 2.361 2.014 2.652 . 0 0 "[ . 1 . 2]" 1 129 1 16 PRO HB3 1 66 GLY QA . . 3.900 2.342 2.003 2.627 . 0 0 "[ . 1 . 2]" 1 130 1 16 PRO HB3 1 66 GLY HA3 . . 4.460 3.933 3.567 4.268 . 0 0 "[ . 1 . 2]" 1 131 1 16 PRO HB3 1 67 LEU H . . 4.510 3.078 2.595 3.369 . 0 0 "[ . 1 . 2]" 1 132 1 16 PRO HB3 1 67 LEU HA . . 5.280 3.543 3.229 3.747 . 0 0 "[ . 1 . 2]" 1 133 1 16 PRO HB3 1 67 LEU MD2 . . 3.410 3.090 2.775 3.390 . 0 0 "[ . 1 . 2]" 1 134 1 16 PRO HD2 1 17 VAL H . . 5.500 5.468 5.373 5.504 0.004 9 0 "[ . 1 . 2]" 1 135 1 16 PRO HD2 1 67 LEU MD2 . . 4.690 4.392 4.044 4.654 . 0 0 "[ . 1 . 2]" 1 136 1 16 PRO HD3 1 17 VAL H . . 5.500 5.456 5.389 5.483 . 0 0 "[ . 1 . 2]" 1 137 1 16 PRO HD3 1 67 LEU MD2 . . 4.140 3.303 2.941 3.667 . 0 0 "[ . 1 . 2]" 1 138 1 16 PRO HD3 1 67 LEU HG . . 4.720 4.330 3.923 4.691 . 0 0 "[ . 1 . 2]" 1 139 1 16 PRO QG 1 17 VAL H . . 4.400 3.930 3.764 4.000 . 0 0 "[ . 1 . 2]" 1 140 1 16 PRO QG 1 66 GLY H . . 4.890 4.206 3.864 4.501 . 0 0 "[ . 1 . 2]" 1 141 1 16 PRO HG2 1 17 VAL H . . 5.080 4.158 3.970 4.236 . 0 0 "[ . 1 . 2]" 1 142 1 16 PRO HG2 1 65 THR MG . . 4.420 2.937 2.568 3.281 . 0 0 "[ . 1 . 2]" 1 143 1 16 PRO HG3 1 17 VAL H . . 5.080 4.841 4.672 4.913 . 0 0 "[ . 1 . 2]" 1 144 1 16 PRO HG3 1 65 THR MG . . 4.420 3.417 3.141 3.756 . 0 0 "[ . 1 . 2]" 1 145 1 17 VAL H 1 17 VAL HB . . 3.930 3.813 3.753 3.859 . 0 0 "[ . 1 . 2]" 1 146 1 17 VAL H 1 17 VAL MG1 . . 4.230 3.369 3.264 3.515 . 0 0 "[ . 1 . 2]" 1 147 1 17 VAL H 1 17 VAL MG2 . . 3.260 2.009 1.923 2.095 . 0 0 "[ . 1 . 2]" 1 148 1 17 VAL H 1 18 THR H . . 4.580 4.392 4.360 4.422 . 0 0 "[ . 1 . 2]" 1 149 1 17 VAL H 1 65 THR HA . . 4.330 4.102 3.946 4.210 . 0 0 "[ . 1 . 2]" 1 150 1 17 VAL H 1 65 THR MG . . 4.180 3.342 3.104 3.601 . 0 0 "[ . 1 . 2]" 1 151 1 17 VAL H 1 66 GLY H . . 3.360 2.327 2.191 2.451 . 0 0 "[ . 1 . 2]" 1 152 1 17 VAL H 1 66 GLY HA2 . . 5.280 3.743 3.525 3.973 . 0 0 "[ . 1 . 2]" 1 153 1 17 VAL H 1 66 GLY QA . . 4.580 3.527 3.342 3.723 . 0 0 "[ . 1 . 2]" 1 154 1 17 VAL H 1 66 GLY HA3 . . 5.280 4.315 4.142 4.495 . 0 0 "[ . 1 . 2]" 1 155 1 17 VAL H 1 67 LEU HA . . 4.780 3.505 3.309 3.683 . 0 0 "[ . 1 . 2]" 1 156 1 17 VAL H 1 67 LEU MD2 . . 4.400 4.283 4.076 4.400 0.000 12 0 "[ . 1 . 2]" 1 157 1 17 VAL H 1 68 ALA H . . 4.760 4.514 4.361 4.673 . 0 0 "[ . 1 . 2]" 1 158 1 17 VAL H 1 68 ALA HA . . 5.500 5.413 5.285 5.501 0.001 2 0 "[ . 1 . 2]" 1 159 1 17 VAL H 1 71 LEU MD1 . . 4.410 3.086 2.898 3.252 . 0 0 "[ . 1 . 2]" 1 160 1 17 VAL H 1 71 LEU MD2 . . 4.600 3.510 3.201 3.712 . 0 0 "[ . 1 . 2]" 1 161 1 17 VAL HA 1 17 VAL MG1 . . 3.330 2.215 2.157 2.293 . 0 0 "[ . 1 . 2]" 1 162 1 17 VAL HA 1 17 VAL MG2 . . 3.510 3.163 3.141 3.178 . 0 0 "[ . 1 . 2]" 1 163 1 17 VAL HA 1 18 THR H . . 2.800 2.323 2.270 2.418 . 0 0 "[ . 1 . 2]" 1 164 1 17 VAL HA 1 18 THR HA . . 5.270 4.359 4.348 4.379 . 0 0 "[ . 1 . 2]" 1 165 1 17 VAL HA 1 18 THR HB . . 4.830 4.764 4.661 4.830 . 0 0 "[ . 1 . 2]" 1 166 1 17 VAL HA 1 66 GLY H . . 4.730 4.248 4.075 4.457 . 0 0 "[ . 1 . 2]" 1 167 1 17 VAL HB 1 18 THR H . . 3.280 2.607 2.363 2.739 . 0 0 "[ . 1 . 2]" 1 168 1 17 VAL HB 1 18 THR HA . . 5.340 4.515 4.392 4.621 . 0 0 "[ . 1 . 2]" 1 169 1 17 VAL HB 1 18 THR HB . . 4.970 4.911 4.788 4.968 . 0 0 "[ . 1 . 2]" 1 170 1 17 VAL HB 1 19 ILE MG . . 4.650 3.881 3.573 4.074 . 0 0 "[ . 1 . 2]" 1 171 1 17 VAL HB 1 66 GLY H . . 5.450 5.164 5.019 5.411 . 0 0 "[ . 1 . 2]" 1 172 1 17 VAL HB 1 71 LEU MD1 . . 3.680 3.468 3.285 3.597 . 0 0 "[ . 1 . 2]" 1 173 1 17 VAL HB 1 71 LEU MD2 . . 4.890 4.757 4.559 4.882 . 0 0 "[ . 1 . 2]" 1 174 1 17 VAL MG1 1 18 THR H . . 3.660 3.395 3.211 3.545 . 0 0 "[ . 1 . 2]" 1 175 1 17 VAL MG2 1 18 THR H . . 4.050 3.853 3.710 3.977 . 0 0 "[ . 1 . 2]" 1 176 1 17 VAL MG2 1 66 GLY H . . 4.320 3.567 3.451 3.747 . 0 0 "[ . 1 . 2]" 1 177 1 17 VAL MG2 1 67 LEU HA . . 4.100 3.313 3.118 3.542 . 0 0 "[ . 1 . 2]" 1 178 1 17 VAL MG2 1 68 ALA H . . 3.800 2.976 2.816 3.200 . 0 0 "[ . 1 . 2]" 1 179 1 17 VAL MG2 1 68 ALA HA . . 3.860 3.175 3.073 3.321 . 0 0 "[ . 1 . 2]" 1 180 1 17 VAL MG2 1 68 ALA MB . . 3.360 3.047 2.856 3.201 . 0 0 "[ . 1 . 2]" 1 181 1 17 VAL MG2 1 71 LEU MD2 . . 3.720 3.222 3.040 3.383 . 0 0 "[ . 1 . 2]" 1 182 1 17 VAL MG2 1 71 LEU HG . . 4.450 3.590 3.447 3.784 . 0 0 "[ . 1 . 2]" 1 183 1 18 THR H 1 18 THR HB . . 3.110 2.571 2.493 2.639 . 0 0 "[ . 1 . 2]" 1 184 1 18 THR H 1 18 THR MG . . 4.050 3.816 3.790 3.846 . 0 0 "[ . 1 . 2]" 1 185 1 18 THR H 1 19 ILE H . . 4.760 4.515 4.456 4.567 . 0 0 "[ . 1 . 2]" 1 186 1 18 THR H 1 65 THR HA . . 4.950 4.370 4.166 4.638 . 0 0 "[ . 1 . 2]" 1 187 1 18 THR H 1 66 GLY H . . 5.500 4.830 4.627 5.093 . 0 0 "[ . 1 . 2]" 1 188 1 18 THR H 1 71 LEU MD1 . . 4.680 4.558 4.258 4.679 . 0 0 "[ . 1 . 2]" 1 189 1 18 THR HA 1 18 THR MG . . 3.500 2.313 2.217 2.401 . 0 0 "[ . 1 . 2]" 1 190 1 18 THR HA 1 19 ILE H . . 3.000 2.187 2.145 2.256 . 0 0 "[ . 1 . 2]" 1 191 1 18 THR HA 1 19 ILE HA . . 4.620 4.400 4.390 4.427 . 0 0 "[ . 1 . 2]" 1 192 1 18 THR HA 1 19 ILE HG12 . . 4.800 3.916 3.769 4.068 . 0 0 "[ . 1 . 2]" 1 193 1 18 THR HA 1 19 ILE HG13 . . 5.250 4.783 4.617 4.972 . 0 0 "[ . 1 . 2]" 1 194 1 18 THR HA 1 19 ILE MG . . 4.880 3.740 3.494 3.916 . 0 0 "[ . 1 . 2]" 1 195 1 18 THR HA 1 64 ILE H . . 4.390 4.228 3.990 4.349 . 0 0 "[ . 1 . 2]" 1 196 1 18 THR HA 1 65 THR H . . 5.440 4.378 4.194 4.635 . 0 0 "[ . 1 . 2]" 1 197 1 18 THR HA 1 65 THR HA . . 3.570 2.178 2.000 2.474 . 0 0 "[ . 1 . 2]" 1 198 1 18 THR HA 1 65 THR MG . . 4.320 3.511 3.243 3.662 . 0 0 "[ . 1 . 2]" 1 199 1 18 THR HA 1 66 GLY H . . 4.010 3.736 3.536 4.001 . 0 0 "[ . 1 . 2]" 1 200 1 18 THR HA 1 71 LEU MD1 . . 4.520 4.057 3.798 4.198 . 0 0 "[ . 1 . 2]" 1 201 1 18 THR HA 1 71 LEU MD2 . . 4.770 3.380 3.120 3.672 . 0 0 "[ . 1 . 2]" 1 202 1 18 THR HB 1 19 ILE H . . 4.350 4.033 3.796 4.181 . 0 0 "[ . 1 . 2]" 1 203 1 18 THR HB 1 19 ILE HA . . 4.820 4.729 4.568 4.820 . 0 0 "[ . 1 . 2]" 1 204 1 18 THR HB 1 63 ALA MB . . 4.590 4.442 4.176 4.584 . 0 0 "[ . 1 . 2]" 1 205 1 18 THR MG 1 19 ILE H . . 3.320 2.315 2.005 2.746 . 0 0 "[ . 1 . 2]" 1 206 1 18 THR MG 1 19 ILE HA . . 3.890 3.739 3.588 3.874 . 0 0 "[ . 1 . 2]" 1 207 1 18 THR MG 1 19 ILE HB . . 5.500 5.166 5.049 5.398 . 0 0 "[ . 1 . 2]" 1 208 1 18 THR MG 1 20 GLU HG2 . . 5.500 4.784 4.648 4.950 . 0 0 "[ . 1 . 2]" 1 209 1 18 THR MG 1 20 GLU HG3 . . 4.630 4.064 3.840 4.485 . 0 0 "[ . 1 . 2]" 1 210 1 18 THR MG 1 63 ALA HA . . 4.200 3.286 3.144 3.427 . 0 0 "[ . 1 . 2]" 1 211 1 18 THR MG 1 63 ALA MB . . 3.050 2.083 1.926 2.195 . 0 0 "[ . 1 . 2]" 1 212 1 18 THR MG 1 64 ILE H . . 3.790 2.997 2.764 3.327 . 0 0 "[ . 1 . 2]" 1 213 1 19 ILE H 1 19 ILE MD . . 4.090 3.883 3.766 3.979 . 0 0 "[ . 1 . 2]" 1 214 1 19 ILE H 1 19 ILE HG12 . . 3.710 2.338 2.112 2.470 . 0 0 "[ . 1 . 2]" 1 215 1 19 ILE H 1 19 ILE HG13 . . 4.140 2.701 2.535 2.861 . 0 0 "[ . 1 . 2]" 1 216 1 19 ILE H 1 19 ILE MG . . 3.890 2.908 2.773 3.064 . 0 0 "[ . 1 . 2]" 1 217 1 19 ILE H 1 20 GLU H . . 4.830 4.432 4.386 4.502 . 0 0 "[ . 1 . 2]" 1 218 1 19 ILE H 1 63 ALA HA . . 4.290 4.070 3.878 4.236 . 0 0 "[ . 1 . 2]" 1 219 1 19 ILE H 1 64 ILE H . . 3.580 2.610 2.470 2.802 . 0 0 "[ . 1 . 2]" 1 220 1 19 ILE H 1 64 ILE HA . . 5.250 4.499 4.398 4.686 . 0 0 "[ . 1 . 2]" 1 221 1 19 ILE H 1 64 ILE HB . . 4.180 3.600 3.476 3.827 . 0 0 "[ . 1 . 2]" 1 222 1 19 ILE H 1 65 THR HA . . 3.960 3.613 3.521 3.786 . 0 0 "[ . 1 . 2]" 1 223 1 19 ILE H 1 71 LEU MD2 . . 4.230 3.402 3.155 3.622 . 0 0 "[ . 1 . 2]" 1 224 1 19 ILE HA 1 19 ILE MD . . 4.360 4.151 4.125 4.173 . 0 0 "[ . 1 . 2]" 1 225 1 19 ILE HA 1 19 ILE MG . . 3.280 2.274 2.178 2.401 . 0 0 "[ . 1 . 2]" 1 226 1 19 ILE HA 1 20 GLU H . . 3.050 2.592 2.464 2.649 . 0 0 "[ . 1 . 2]" 1 227 1 19 ILE HA 1 64 ILE H . . 4.890 4.655 4.562 4.751 . 0 0 "[ . 1 . 2]" 1 228 1 19 ILE HB 1 19 ILE MD . . 3.110 2.303 2.164 2.416 . 0 0 "[ . 1 . 2]" 1 229 1 19 ILE HB 1 20 GLU H . . 2.960 2.012 1.901 2.275 . 0 0 "[ . 1 . 2]" 1 230 1 19 ILE HB 1 64 ILE H . . 5.070 4.638 4.484 4.758 . 0 0 "[ . 1 . 2]" 1 231 1 19 ILE MD 1 19 ILE MG . . 2.930 2.225 1.985 2.414 . 0 0 "[ . 1 . 2]" 1 232 1 19 ILE MD 1 20 GLU H . . 4.430 3.574 3.319 3.845 . 0 0 "[ . 1 . 2]" 1 233 1 19 ILE MD 1 64 ILE H . . 4.480 3.799 3.577 4.002 . 0 0 "[ . 1 . 2]" 1 234 1 19 ILE MD 1 64 ILE HB . . 3.380 2.216 1.999 2.413 . 0 0 "[ . 1 . 2]" 1 235 1 19 ILE MD 1 64 ILE MD . . 3.480 2.168 1.937 2.402 . 0 0 "[ . 1 . 2]" 1 236 1 19 ILE MD 1 71 LEU HA . . 4.740 3.228 2.947 3.629 . 0 0 "[ . 1 . 2]" 1 237 1 19 ILE MD 1 72 ASP HA . . 4.710 4.624 4.394 4.707 . 0 0 "[ . 1 . 2]" 1 238 1 19 ILE MD 1 75 LYS H . . 4.020 3.676 3.388 3.851 . 0 0 "[ . 1 . 2]" 1 239 1 19 ILE MD 1 75 LYS HA . . 4.600 3.606 3.316 3.838 . 0 0 "[ . 1 . 2]" 1 240 1 19 ILE MD 1 75 LYS HB2 . . 3.310 2.281 2.113 2.398 . 0 0 "[ . 1 . 2]" 1 241 1 19 ILE MD 1 75 LYS HB3 . . 3.930 3.550 3.415 3.682 . 0 0 "[ . 1 . 2]" 1 242 1 19 ILE MD 1 75 LYS QD . . 3.320 2.210 1.886 2.467 . 0 0 "[ . 1 . 2]" 1 243 1 19 ILE MD 1 75 LYS QE . . 4.040 3.651 3.016 4.008 . 0 0 "[ . 1 . 2]" 1 244 1 19 ILE MD 1 75 LYS QG . . 3.480 2.658 2.243 3.005 . 0 0 "[ . 1 . 2]" 1 245 1 19 ILE HG12 1 19 ILE MG . . 3.600 2.190 2.080 2.321 . 0 0 "[ . 1 . 2]" 1 246 1 19 ILE HG12 1 20 GLU H . . 4.620 4.462 4.355 4.614 . 0 0 "[ . 1 . 2]" 1 247 1 19 ILE HG12 1 64 ILE H . . 4.950 3.171 2.969 3.435 . 0 0 "[ . 1 . 2]" 1 248 1 19 ILE HG12 1 64 ILE HB . . 3.790 2.184 2.018 2.390 . 0 0 "[ . 1 . 2]" 1 249 1 19 ILE HG12 1 64 ILE MD . . 3.950 3.824 3.651 3.950 0.000 2 0 "[ . 1 . 2]" 1 250 1 19 ILE HG12 1 64 ILE MG . . 3.630 3.384 3.243 3.563 . 0 0 "[ . 1 . 2]" 1 251 1 19 ILE HG12 1 71 LEU MD1 . . 3.920 3.501 3.323 3.711 . 0 0 "[ . 1 . 2]" 1 252 1 19 ILE HG12 1 71 LEU MD2 . . 3.990 2.251 2.088 2.461 . 0 0 "[ . 1 . 2]" 1 253 1 19 ILE HG13 1 19 ILE MG . . 3.410 3.171 3.148 3.200 . 0 0 "[ . 1 . 2]" 1 254 1 19 ILE HG13 1 20 GLU H . . 4.760 3.351 3.212 3.476 . 0 0 "[ . 1 . 2]" 1 255 1 19 ILE HG13 1 21 VAL MG2 . . 4.080 2.954 2.752 3.224 . 0 0 "[ . 1 . 2]" 1 256 1 19 ILE HG13 1 64 ILE HB . . 3.870 2.325 2.176 2.437 . 0 0 "[ . 1 . 2]" 1 257 1 19 ILE HG13 1 64 ILE MD . . 3.580 3.375 3.168 3.545 . 0 0 "[ . 1 . 2]" 1 258 1 19 ILE HG13 1 64 ILE MG . . 4.060 3.982 3.869 4.061 0.001 2 0 "[ . 1 . 2]" 1 259 1 19 ILE HG13 1 71 LEU HB3 . . 4.670 4.558 4.381 4.667 . 0 0 "[ . 1 . 2]" 1 260 1 19 ILE HG13 1 71 LEU MD2 . . 4.260 3.719 3.529 3.890 . 0 0 "[ . 1 . 2]" 1 261 1 19 ILE HG13 1 75 LYS HB2 . . 5.050 4.820 4.562 5.003 . 0 0 "[ . 1 . 2]" 1 262 1 19 ILE HG13 1 75 LYS QD . . 4.790 4.531 4.263 4.755 . 0 0 "[ . 1 . 2]" 1 263 1 19 ILE MG 1 20 GLU H . . 3.760 3.535 3.453 3.703 . 0 0 "[ . 1 . 2]" 1 264 1 19 ILE MG 1 64 ILE HB . . 4.180 4.035 3.878 4.170 . 0 0 "[ . 1 . 2]" 1 265 1 19 ILE MG 1 71 LEU HB3 . . 4.330 2.445 2.052 2.749 . 0 0 "[ . 1 . 2]" 1 266 1 19 ILE MG 1 71 LEU MD2 . . 3.340 2.446 2.074 2.641 . 0 0 "[ . 1 . 2]" 1 267 1 19 ILE MG 1 71 LEU HG . . 4.230 3.980 3.727 4.206 . 0 0 "[ . 1 . 2]" 1 268 1 19 ILE MG 1 75 LYS HB2 . . 5.310 4.655 4.277 4.875 . 0 0 "[ . 1 . 2]" 1 269 1 20 GLU H 1 20 GLU HB2 . . 3.830 2.545 2.437 2.640 . 0 0 "[ . 1 . 2]" 1 270 1 20 GLU H 1 20 GLU HB3 . . 4.020 3.655 3.603 3.703 . 0 0 "[ . 1 . 2]" 1 271 1 20 GLU H 1 20 GLU HG2 . . 4.580 4.428 4.254 4.578 . 0 0 "[ . 1 . 2]" 1 272 1 20 GLU H 1 20 GLU HG3 . . 3.870 3.585 3.263 3.757 . 0 0 "[ . 1 . 2]" 1 273 1 20 GLU H 1 21 VAL H . . 4.630 4.301 4.236 4.413 . 0 0 "[ . 1 . 2]" 1 274 1 20 GLU H 1 21 VAL MG2 . . 4.850 3.812 3.627 4.047 . 0 0 "[ . 1 . 2]" 1 275 1 20 GLU H 1 63 ALA HA . . 5.090 4.925 4.745 5.030 . 0 0 "[ . 1 . 2]" 1 276 1 20 GLU H 1 75 LYS QD . . 4.950 4.720 4.541 4.885 . 0 0 "[ . 1 . 2]" 1 277 1 20 GLU HA 1 20 GLU HG2 . . 4.050 2.411 2.326 2.575 . 0 0 "[ . 1 . 2]" 1 278 1 20 GLU HA 1 20 GLU HG3 . . 4.190 2.806 2.609 2.916 . 0 0 "[ . 1 . 2]" 1 279 1 20 GLU HA 1 21 VAL H . . 3.010 2.155 2.141 2.186 . 0 0 "[ . 1 . 2]" 1 280 1 20 GLU HA 1 21 VAL HA . . 4.760 4.398 4.393 4.412 . 0 0 "[ . 1 . 2]" 1 281 1 20 GLU HA 1 21 VAL HB . . 4.950 4.830 4.691 4.944 . 0 0 "[ . 1 . 2]" 1 282 1 20 GLU HA 1 21 VAL MG2 . . 4.420 3.433 3.277 3.547 . 0 0 "[ . 1 . 2]" 1 283 1 20 GLU HA 1 61 ILE HB . . 5.500 5.348 5.053 5.499 . 0 0 "[ . 1 . 2]" 1 284 1 20 GLU HA 1 61 ILE MG . . 3.870 3.009 2.887 3.155 . 0 0 "[ . 1 . 2]" 1 285 1 20 GLU HA 1 62 ILE H . . 4.890 4.730 4.571 4.853 . 0 0 "[ . 1 . 2]" 1 286 1 20 GLU HA 1 63 ALA HA . . 3.710 2.783 2.545 2.892 . 0 0 "[ . 1 . 2]" 1 287 1 20 GLU HA 1 63 ALA MB . . 4.330 3.923 3.744 4.074 . 0 0 "[ . 1 . 2]" 1 288 1 20 GLU HA 1 64 ILE H . . 4.150 3.844 3.670 4.019 . 0 0 "[ . 1 . 2]" 1 289 1 20 GLU HB2 1 21 VAL H . . 4.410 4.365 4.206 4.409 . 0 0 "[ . 1 . 2]" 1 290 1 20 GLU HB2 1 21 VAL HA . . 5.500 5.143 4.949 5.203 . 0 0 "[ . 1 . 2]" 1 291 1 20 GLU HB2 1 61 ILE MG . . 3.800 3.606 3.472 3.739 . 0 0 "[ . 1 . 2]" 1 292 1 20 GLU HB3 1 21 VAL H . . 4.810 3.340 3.109 3.446 . 0 0 "[ . 1 . 2]" 1 293 1 20 GLU HB3 1 21 VAL HA . . 4.450 4.379 4.317 4.443 . 0 0 "[ . 1 . 2]" 1 294 1 20 GLU HB3 1 61 ILE MG . . 3.400 2.268 2.130 2.412 . 0 0 "[ . 1 . 2]" 1 295 1 20 GLU HG2 1 21 VAL H . . 4.820 3.871 3.747 4.077 . 0 0 "[ . 1 . 2]" 1 296 1 20 GLU HG2 1 61 ILE HB . . 4.410 3.985 3.740 4.300 . 0 0 "[ . 1 . 2]" 1 297 1 20 GLU HG2 1 61 ILE MG . . 3.590 2.156 1.975 2.291 . 0 0 "[ . 1 . 2]" 1 298 1 20 GLU HG2 1 63 ALA HA . . 4.340 3.920 3.596 4.233 . 0 0 "[ . 1 . 2]" 1 299 1 20 GLU HG2 1 63 ALA MB . . 4.390 3.830 3.456 4.136 . 0 0 "[ . 1 . 2]" 1 300 1 20 GLU HG3 1 21 VAL H . . 5.040 4.800 4.567 4.954 . 0 0 "[ . 1 . 2]" 1 301 1 20 GLU HG3 1 61 ILE MG . . 3.740 3.627 3.470 3.739 . 0 0 "[ . 1 . 2]" 1 302 1 20 GLU HG3 1 63 ALA HA . . 5.090 4.281 3.848 4.672 . 0 0 "[ . 1 . 2]" 1 303 1 20 GLU HG3 1 63 ALA MB . . 4.620 4.120 3.622 4.479 . 0 0 "[ . 1 . 2]" 1 304 1 21 VAL H 1 21 VAL HB . . 3.290 2.833 2.738 2.952 . 0 0 "[ . 1 . 2]" 1 305 1 21 VAL H 1 21 VAL MG1 . . 4.380 3.912 3.884 3.936 . 0 0 "[ . 1 . 2]" 1 306 1 21 VAL H 1 21 VAL MG2 . . 3.560 2.559 2.431 2.805 . 0 0 "[ . 1 . 2]" 1 307 1 21 VAL H 1 22 GLU H . . 4.690 4.382 4.169 4.483 . 0 0 "[ . 1 . 2]" 1 308 1 21 VAL H 1 61 ILE HA . . 4.610 4.118 3.833 4.269 . 0 0 "[ . 1 . 2]" 1 309 1 21 VAL H 1 61 ILE MD . . 5.020 4.833 4.616 4.931 . 0 0 "[ . 1 . 2]" 1 310 1 21 VAL H 1 61 ILE MG . . 3.650 2.771 2.628 2.925 . 0 0 "[ . 1 . 2]" 1 311 1 21 VAL H 1 62 ILE H . . 3.750 3.055 2.904 3.185 . 0 0 "[ . 1 . 2]" 1 312 1 21 VAL H 1 62 ILE HB . . 4.350 3.681 3.590 3.770 . 0 0 "[ . 1 . 2]" 1 313 1 21 VAL H 1 63 ALA HA . . 3.910 3.729 3.607 3.862 . 0 0 "[ . 1 . 2]" 1 314 1 21 VAL H 1 63 ALA MB . . 5.260 4.896 4.810 5.005 . 0 0 "[ . 1 . 2]" 1 315 1 21 VAL H 1 64 ILE H . . 5.130 4.695 4.473 4.965 . 0 0 "[ . 1 . 2]" 1 316 1 21 VAL H 1 64 ILE MD . . 4.880 4.659 4.484 4.813 . 0 0 "[ . 1 . 2]" 1 317 1 21 VAL H 1 64 ILE HG13 . . 5.500 4.404 4.133 4.797 . 0 0 "[ . 1 . 2]" 1 318 1 21 VAL HA 1 21 VAL MG1 . . 3.330 2.223 2.102 2.372 . 0 0 "[ . 1 . 2]" 1 319 1 21 VAL HA 1 21 VAL MG2 . . 3.390 2.494 2.393 2.581 . 0 0 "[ . 1 . 2]" 1 320 1 21 VAL HA 1 22 GLU H . . 2.780 2.178 2.142 2.272 . 0 0 "[ . 1 . 2]" 1 321 1 21 VAL HA 1 22 GLU HA . . 4.600 4.359 4.346 4.396 . 0 0 "[ . 1 . 2]" 1 322 1 21 VAL HA 1 22 GLU QB . . 5.500 4.289 4.186 4.350 . 0 0 "[ . 1 . 2]" 1 323 1 21 VAL HA 1 22 GLU HG3 . . 5.220 4.178 4.003 4.453 . 0 0 "[ . 1 . 2]" 1 324 1 21 VAL HA 1 23 VAL MG2 . . 4.750 4.433 4.256 4.594 . 0 0 "[ . 1 . 2]" 1 325 1 21 VAL HA 1 61 ILE MD . . 5.260 5.225 5.094 5.263 0.003 14 0 "[ . 1 . 2]" 1 326 1 21 VAL HA 1 61 ILE MG . . 4.700 4.083 3.825 4.240 . 0 0 "[ . 1 . 2]" 1 327 1 21 VAL HA 1 75 LYS QE . . 4.190 3.340 2.673 4.091 . 0 0 "[ . 1 . 2]" 1 328 1 21 VAL HA 1 75 LYS QG . . 4.800 3.950 3.528 4.134 . 0 0 "[ . 1 . 2]" 1 329 1 21 VAL HA 1 79 LEU MD2 . . 4.920 3.783 3.528 4.130 . 0 0 "[ . 1 . 2]" 1 330 1 21 VAL HA 1 79 LEU HG . . 5.400 5.167 4.956 5.400 . 0 0 "[ . 1 . 2]" 1 331 1 21 VAL HB 1 22 GLU H . . 4.490 3.927 3.640 4.232 . 0 0 "[ . 1 . 2]" 1 332 1 21 VAL HB 1 23 VAL MG2 . . 3.050 2.842 2.610 3.043 . 0 0 "[ . 1 . 2]" 1 333 1 21 VAL HB 1 62 ILE H . . 4.300 3.339 3.192 3.511 . 0 0 "[ . 1 . 2]" 1 334 1 21 VAL HB 1 62 ILE HB . . 3.950 2.527 2.308 2.706 . 0 0 "[ . 1 . 2]" 1 335 1 21 VAL HB 1 62 ILE MD . . 5.340 3.895 3.640 4.089 . 0 0 "[ . 1 . 2]" 1 336 1 21 VAL HB 1 62 ILE HG13 . . 4.920 4.710 4.483 4.835 . 0 0 "[ . 1 . 2]" 1 337 1 21 VAL HB 1 62 ILE MG . . 4.170 3.420 3.186 3.644 . 0 0 "[ . 1 . 2]" 1 338 1 21 VAL HB 1 64 ILE MD . . 3.870 3.446 3.167 3.710 . 0 0 "[ . 1 . 2]" 1 339 1 21 VAL HB 1 78 LEU MD2 . . 3.520 2.568 2.224 2.852 . 0 0 "[ . 1 . 2]" 1 340 1 21 VAL MG1 1 22 GLU H . . 3.520 2.503 2.045 2.827 . 0 0 "[ . 1 . 2]" 1 341 1 21 VAL MG1 1 22 GLU QB . . 4.370 3.825 3.580 3.965 . 0 0 "[ . 1 . 2]" 1 342 1 21 VAL MG1 1 75 LYS HA . . 4.550 3.567 3.408 3.926 . 0 0 "[ . 1 . 2]" 1 343 1 21 VAL MG1 1 75 LYS HB2 . . 5.500 4.588 4.288 4.960 . 0 0 "[ . 1 . 2]" 1 344 1 21 VAL MG1 1 75 LYS HG2 . . 3.810 3.165 2.806 3.537 . 0 0 "[ . 1 . 2]" 1 345 1 21 VAL MG1 1 75 LYS HG3 . . 3.810 2.662 2.295 3.008 . 0 0 "[ . 1 . 2]" 1 346 1 21 VAL MG1 1 78 LEU HB2 . . 3.930 3.891 3.751 3.931 0.001 2 0 "[ . 1 . 2]" 1 347 1 21 VAL MG1 1 78 LEU QB . . 3.270 2.573 2.446 2.749 . 0 0 "[ . 1 . 2]" 1 348 1 21 VAL MG1 1 78 LEU HB3 . . 3.930 2.611 2.478 2.807 . 0 0 "[ . 1 . 2]" 1 349 1 21 VAL MG1 1 78 LEU HG . . 3.950 3.413 3.042 3.796 . 0 0 "[ . 1 . 2]" 1 350 1 21 VAL MG1 1 79 LEU H . . 3.950 3.465 3.284 3.671 . 0 0 "[ . 1 . 2]" 1 351 1 21 VAL MG1 1 79 LEU HA . . 4.020 3.588 3.358 3.868 . 0 0 "[ . 1 . 2]" 1 352 1 21 VAL MG1 1 79 LEU HG . . 3.550 2.621 2.378 2.790 . 0 0 "[ . 1 . 2]" 1 353 1 21 VAL MG2 1 22 GLU H . . 4.220 4.175 4.060 4.221 0.001 4 0 "[ . 1 . 2]" 1 354 1 21 VAL MG2 1 62 ILE H . . 5.060 4.295 4.042 4.484 . 0 0 "[ . 1 . 2]" 1 355 1 21 VAL MG2 1 62 ILE MG . . 3.530 2.985 2.700 3.190 . 0 0 "[ . 1 . 2]" 1 356 1 21 VAL MG2 1 63 ALA HA . . 4.360 3.971 3.833 4.160 . 0 0 "[ . 1 . 2]" 1 357 1 21 VAL MG2 1 64 ILE H . . 4.910 3.653 3.421 3.836 . 0 0 "[ . 1 . 2]" 1 358 1 21 VAL MG2 1 64 ILE MD . . 3.410 1.836 1.746 1.984 . 0 0 "[ . 1 . 2]" 1 359 1 21 VAL MG2 1 64 ILE HG13 . . 3.730 2.251 1.974 2.511 . 0 0 "[ . 1 . 2]" 1 360 1 21 VAL MG2 1 75 LYS HA . . 3.810 3.061 2.833 3.238 . 0 0 "[ . 1 . 2]" 1 361 1 21 VAL MG2 1 75 LYS HB2 . . 3.860 3.505 3.254 3.720 . 0 0 "[ . 1 . 2]" 1 362 1 21 VAL MG2 1 75 LYS QD . . 4.060 3.280 3.043 3.792 . 0 0 "[ . 1 . 2]" 1 363 1 21 VAL MG2 1 75 LYS QE . . 4.170 3.255 2.407 3.797 . 0 0 "[ . 1 . 2]" 1 364 1 21 VAL MG2 1 75 LYS HG2 . . 3.770 3.502 3.236 3.698 . 0 0 "[ . 1 . 2]" 1 365 1 21 VAL MG2 1 75 LYS HG3 . . 3.770 2.132 1.949 2.337 . 0 0 "[ . 1 . 2]" 1 366 1 22 GLU H 1 22 GLU QB . . 3.040 2.278 2.177 2.332 . 0 0 "[ . 1 . 2]" 1 367 1 22 GLU H 1 22 GLU HG2 . . 4.830 4.060 3.925 4.239 . 0 0 "[ . 1 . 2]" 1 368 1 22 GLU H 1 22 GLU HG3 . . 4.360 2.772 2.574 3.101 . 0 0 "[ . 1 . 2]" 1 369 1 22 GLU H 1 23 VAL H . . 4.550 4.361 4.201 4.444 . 0 0 "[ . 1 . 2]" 1 370 1 22 GLU H 1 23 VAL MG2 . . 4.910 3.845 3.654 3.967 . 0 0 "[ . 1 . 2]" 1 371 1 22 GLU H 1 61 ILE MD . . 5.020 4.510 4.249 4.731 . 0 0 "[ . 1 . 2]" 1 372 1 22 GLU H 1 61 ILE MG . . 4.860 4.245 3.820 4.570 . 0 0 "[ . 1 . 2]" 1 373 1 22 GLU H 1 79 LEU MD2 . . 3.480 3.239 2.956 3.467 . 0 0 "[ . 1 . 2]" 1 374 1 22 GLU HA 1 23 VAL H . . 2.950 2.153 2.139 2.201 . 0 0 "[ . 1 . 2]" 1 375 1 22 GLU HA 1 23 VAL HA . . 4.700 4.378 4.369 4.389 . 0 0 "[ . 1 . 2]" 1 376 1 22 GLU HA 1 23 VAL MG2 . . 4.400 3.938 3.770 4.050 . 0 0 "[ . 1 . 2]" 1 377 1 22 GLU HA 1 61 ILE HA . . 4.650 3.000 2.789 3.130 . 0 0 "[ . 1 . 2]" 1 378 1 22 GLU HA 1 61 ILE MD . . 3.850 2.549 2.290 2.690 . 0 0 "[ . 1 . 2]" 1 379 1 22 GLU HA 1 61 ILE MG . . 4.080 3.259 2.859 3.521 . 0 0 "[ . 1 . 2]" 1 380 1 22 GLU HA 1 62 ILE H . . 4.110 4.056 3.946 4.114 0.004 10 0 "[ . 1 . 2]" 1 381 1 22 GLU QB 1 23 VAL H . . 3.910 3.523 3.384 3.702 . 0 0 "[ . 1 . 2]" 1 382 1 22 GLU QB 1 23 VAL HA . . 5.070 4.100 4.062 4.172 . 0 0 "[ . 1 . 2]" 1 383 1 22 GLU QB 1 61 ILE MD . . 4.410 3.794 3.560 4.074 . 0 0 "[ . 1 . 2]" 1 384 1 22 GLU HG2 1 23 VAL H . . 4.650 4.543 4.333 4.633 . 0 0 "[ . 1 . 2]" 1 385 1 22 GLU HG2 1 61 ILE MD . . 3.990 2.872 2.633 3.056 . 0 0 "[ . 1 . 2]" 1 386 1 22 GLU HG3 1 23 VAL H . . 4.780 4.736 4.665 4.782 0.002 2 0 "[ . 1 . 2]" 1 387 1 22 GLU HG3 1 61 ILE MD . . 3.990 3.049 2.765 3.225 . 0 0 "[ . 1 . 2]" 1 388 1 22 GLU HG3 1 79 LEU MD2 . . 5.290 5.192 4.898 5.294 0.004 1 0 "[ . 1 . 2]" 1 389 1 23 VAL H 1 23 VAL HB . . 3.770 2.868 2.730 2.952 . 0 0 "[ . 1 . 2]" 1 390 1 23 VAL H 1 23 VAL MG1 . . 4.360 3.906 3.873 3.951 . 0 0 "[ . 1 . 2]" 1 391 1 23 VAL H 1 23 VAL MG2 . . 3.850 3.149 2.950 3.268 . 0 0 "[ . 1 . 2]" 1 392 1 23 VAL H 1 24 PRO HA . . 4.910 4.786 4.670 4.902 . 0 0 "[ . 1 . 2]" 1 393 1 23 VAL H 1 24 PRO HD2 . . 5.150 4.730 4.663 4.783 . 0 0 "[ . 1 . 2]" 1 394 1 23 VAL H 1 24 PRO HD3 . . 5.150 4.476 4.314 4.637 . 0 0 "[ . 1 . 2]" 1 395 1 23 VAL H 1 60 ASP HA . . 4.680 4.332 4.132 4.517 . 0 0 "[ . 1 . 2]" 1 396 1 23 VAL H 1 60 ASP HB2 . . 4.580 4.248 2.995 4.574 . 0 0 "[ . 1 . 2]" 1 397 1 23 VAL H 1 60 ASP QB . . 3.890 3.499 2.958 3.730 . 0 0 "[ . 1 . 2]" 1 398 1 23 VAL H 1 60 ASP HB3 . . 4.580 3.849 3.488 4.589 0.009 2 0 "[ . 1 . 2]" 1 399 1 23 VAL H 1 61 ILE H . . 4.990 4.782 4.625 4.944 . 0 0 "[ . 1 . 2]" 1 400 1 23 VAL H 1 61 ILE HA . . 3.830 2.895 2.662 3.193 . 0 0 "[ . 1 . 2]" 1 401 1 23 VAL H 1 61 ILE MD . . 4.140 3.295 3.075 3.512 . 0 0 "[ . 1 . 2]" 1 402 1 23 VAL H 1 61 ILE MG . . 4.470 4.192 3.858 4.474 0.004 2 0 "[ . 1 . 2]" 1 403 1 23 VAL H 1 62 ILE H . . 4.290 3.589 3.254 3.821 . 0 0 "[ . 1 . 2]" 1 404 1 23 VAL H 1 62 ILE HB . . 5.470 4.987 4.519 5.237 . 0 0 "[ . 1 . 2]" 1 405 1 23 VAL H 1 62 ILE MD . . 4.860 4.737 4.478 4.857 . 0 0 "[ . 1 . 2]" 1 406 1 23 VAL HA 1 23 VAL MG1 . . 3.420 2.429 2.356 2.478 . 0 0 "[ . 1 . 2]" 1 407 1 23 VAL HA 1 23 VAL MG2 . . 3.440 2.270 2.211 2.338 . 0 0 "[ . 1 . 2]" 1 408 1 23 VAL HA 1 24 PRO HA . . 4.820 4.432 4.412 4.448 . 0 0 "[ . 1 . 2]" 1 409 1 23 VAL HA 1 24 PRO HD2 . . 3.360 2.075 2.015 2.176 . 0 0 "[ . 1 . 2]" 1 410 1 23 VAL HA 1 24 PRO HD3 . . 3.360 2.270 2.253 2.293 . 0 0 "[ . 1 . 2]" 1 411 1 23 VAL HA 1 24 PRO QG . . 3.850 3.821 3.794 3.871 0.021 2 0 "[ . 1 . 2]" 1 412 1 23 VAL HA 1 27 LEU MD1 . . 4.930 3.957 3.672 4.285 . 0 0 "[ . 1 . 2]" 1 413 1 23 VAL HA 1 82 VAL MG2 . . 4.360 2.985 2.524 3.532 . 0 0 "[ . 1 . 2]" 1 414 1 23 VAL HB 1 24 PRO QD . . 4.970 3.959 3.790 4.037 . 0 0 "[ . 1 . 2]" 1 415 1 23 VAL HB 1 28 HIS HD2 . . 4.040 3.869 3.669 4.040 0.000 8 0 "[ . 1 . 2]" 1 416 1 23 VAL HB 1 62 ILE H . . 4.750 3.612 3.412 3.800 . 0 0 "[ . 1 . 2]" 1 417 1 23 VAL HB 1 62 ILE HB . . 5.150 3.553 3.347 3.751 . 0 0 "[ . 1 . 2]" 1 418 1 23 VAL HB 1 62 ILE MD . . 3.620 2.327 2.101 2.611 . 0 0 "[ . 1 . 2]" 1 419 1 23 VAL HB 1 62 ILE HG12 . . 4.670 4.337 4.002 4.534 . 0 0 "[ . 1 . 2]" 1 420 1 23 VAL HB 1 62 ILE HG13 . . 4.280 2.778 2.406 3.021 . 0 0 "[ . 1 . 2]" 1 421 1 23 VAL HB 1 78 LEU MD2 . . 4.860 3.759 3.615 4.169 . 0 0 "[ . 1 . 2]" 1 422 1 23 VAL HB 1 82 VAL MG2 . . 4.490 3.886 3.697 4.123 . 0 0 "[ . 1 . 2]" 1 423 1 23 VAL MG1 1 24 PRO HA . . 4.950 4.026 3.927 4.162 . 0 0 "[ . 1 . 2]" 1 424 1 23 VAL MG1 1 24 PRO HB3 . . 5.190 4.677 4.520 4.859 . 0 0 "[ . 1 . 2]" 1 425 1 23 VAL MG1 1 24 PRO HD2 . . 3.900 1.946 1.829 2.000 . 0 0 "[ . 1 . 2]" 1 426 1 23 VAL MG1 1 24 PRO QD . . 3.190 1.933 1.818 1.986 . 0 0 "[ . 1 . 2]" 1 427 1 23 VAL MG1 1 24 PRO HD3 . . 3.900 3.311 3.165 3.404 . 0 0 "[ . 1 . 2]" 1 428 1 23 VAL MG1 1 24 PRO QG . . 3.920 3.031 2.870 3.196 . 0 0 "[ . 1 . 2]" 1 429 1 23 VAL MG1 1 27 LEU HB2 . . 3.010 2.599 2.530 2.704 . 0 0 "[ . 1 . 2]" 1 430 1 23 VAL MG1 1 27 LEU HB3 . . 3.770 3.478 3.283 3.643 . 0 0 "[ . 1 . 2]" 1 431 1 23 VAL MG1 1 27 LEU HG . . 4.280 4.180 4.013 4.261 . 0 0 "[ . 1 . 2]" 1 432 1 23 VAL MG1 1 28 HIS H . . 3.740 3.658 3.533 3.743 0.003 2 0 "[ . 1 . 2]" 1 433 1 23 VAL MG1 1 28 HIS HA . . 4.370 3.881 3.678 4.085 . 0 0 "[ . 1 . 2]" 1 434 1 23 VAL MG1 1 28 HIS HD2 . . 3.370 2.110 1.968 2.394 . 0 0 "[ . 1 . 2]" 1 435 1 23 VAL MG1 1 62 ILE HB . . 4.690 4.563 4.414 4.691 0.001 1 0 "[ . 1 . 2]" 1 436 1 23 VAL MG1 1 62 ILE MD . . 3.310 2.228 2.048 2.395 . 0 0 "[ . 1 . 2]" 1 437 1 23 VAL MG1 1 62 ILE HG13 . . 4.100 3.615 3.310 4.011 . 0 0 "[ . 1 . 2]" 1 438 1 23 VAL MG2 1 24 PRO HD2 . . 4.280 3.374 3.215 3.517 . 0 0 "[ . 1 . 2]" 1 439 1 23 VAL MG2 1 24 PRO QD . . 3.710 3.225 3.094 3.348 . 0 0 "[ . 1 . 2]" 1 440 1 23 VAL MG2 1 24 PRO HD3 . . 4.280 4.098 4.004 4.203 . 0 0 "[ . 1 . 2]" 1 441 1 23 VAL MG2 1 61 ILE HA . . 4.930 4.666 4.418 4.831 . 0 0 "[ . 1 . 2]" 1 442 1 23 VAL MG2 1 62 ILE H . . 4.090 3.801 3.529 4.043 . 0 0 "[ . 1 . 2]" 1 443 1 23 VAL MG2 1 62 ILE HB . . 3.520 3.322 3.013 3.521 0.001 8 0 "[ . 1 . 2]" 1 444 1 23 VAL MG2 1 62 ILE MD . . 3.010 2.636 2.291 2.901 . 0 0 "[ . 1 . 2]" 1 445 1 23 VAL MG2 1 62 ILE HG13 . . 4.000 3.874 3.538 4.005 0.005 5 0 "[ . 1 . 2]" 1 446 1 23 VAL MG2 1 82 VAL HB . . 3.940 3.631 3.357 3.829 . 0 0 "[ . 1 . 2]" 1 447 1 24 PRO HA 1 25 PHE H . . 3.010 2.166 2.151 2.185 . 0 0 "[ . 1 . 2]" 1 448 1 24 PRO HA 1 25 PHE HA . . 5.160 4.361 4.347 4.385 . 0 0 "[ . 1 . 2]" 1 449 1 24 PRO HA 1 25 PHE HB2 . . 4.970 4.474 4.404 4.542 . 0 0 "[ . 1 . 2]" 1 450 1 24 PRO HA 1 25 PHE QB . . 4.340 4.101 4.090 4.115 . 0 0 "[ . 1 . 2]" 1 451 1 24 PRO HA 1 25 PHE HB3 . . 4.970 4.767 4.667 4.852 . 0 0 "[ . 1 . 2]" 1 452 1 24 PRO HA 1 26 ASP H . . 4.450 3.695 3.555 3.876 . 0 0 "[ . 1 . 2]" 1 453 1 24 PRO HA 1 60 ASP HA . . 4.260 3.546 3.068 4.177 . 0 0 "[ . 1 . 2]" 1 454 1 24 PRO HA 1 60 ASP HB2 . . 4.620 3.895 3.039 4.237 . 0 0 "[ . 1 . 2]" 1 455 1 24 PRO HA 1 60 ASP QB . . 3.750 2.311 2.105 2.591 . 0 0 "[ . 1 . 2]" 1 456 1 24 PRO HA 1 60 ASP HB3 . . 4.620 2.338 2.116 2.754 . 0 0 "[ . 1 . 2]" 1 457 1 24 PRO HB2 1 25 PHE H . . 4.340 3.431 3.310 3.594 . 0 0 "[ . 1 . 2]" 1 458 1 24 PRO HB2 1 26 ASP H . . 3.490 2.506 2.304 2.926 . 0 0 "[ . 1 . 2]" 1 459 1 24 PRO HB2 1 27 LEU H . . 4.630 3.357 2.963 3.505 . 0 0 "[ . 1 . 2]" 1 460 1 24 PRO HB2 1 60 ASP QB . . 5.150 4.848 4.684 5.138 . 0 0 "[ . 1 . 2]" 1 461 1 24 PRO HB3 1 25 PHE H . . 4.120 3.932 3.853 4.042 . 0 0 "[ . 1 . 2]" 1 462 1 24 PRO HB3 1 26 ASP H . . 4.470 4.019 3.870 4.313 . 0 0 "[ . 1 . 2]" 1 463 1 24 PRO HB3 1 27 LEU H . . 5.130 4.958 4.590 5.088 . 0 0 "[ . 1 . 2]" 1 464 1 24 PRO HB3 1 27 LEU MD1 . . 5.450 4.413 4.203 4.973 . 0 0 "[ . 1 . 2]" 1 465 1 24 PRO QD 1 27 LEU HB2 . . 4.580 3.370 3.053 3.587 . 0 0 "[ . 1 . 2]" 1 466 1 24 PRO QD 1 27 LEU MD1 . . 3.790 2.220 1.992 2.560 . 0 0 "[ . 1 . 2]" 1 467 1 24 PRO QD 1 27 LEU HG . . 4.900 3.869 3.743 4.112 . 0 0 "[ . 1 . 2]" 1 468 1 24 PRO QD 1 82 VAL MG1 . . 3.300 2.095 1.931 2.407 . 0 0 "[ . 1 . 2]" 1 469 1 24 PRO QD 1 82 VAL MG2 . . 4.440 2.747 2.222 3.243 . 0 0 "[ . 1 . 2]" 1 470 1 24 PRO HD2 1 82 VAL MG1 . . 3.760 2.169 1.967 2.519 . 0 0 "[ . 1 . 2]" 1 471 1 24 PRO HD3 1 82 VAL MG1 . . 3.760 2.811 2.550 3.112 . 0 0 "[ . 1 . 2]" 1 472 1 24 PRO QG 1 25 PHE H . . 4.840 4.619 4.567 4.680 . 0 0 "[ . 1 . 2]" 1 473 1 24 PRO QG 1 26 ASP H . . 5.040 3.939 3.678 4.418 . 0 0 "[ . 1 . 2]" 1 474 1 24 PRO QG 1 26 ASP QB . . 4.540 3.614 3.350 4.542 0.002 20 0 "[ . 1 . 2]" 1 475 1 24 PRO QG 1 27 LEU H . . 5.250 3.186 2.768 3.320 . 0 0 "[ . 1 . 2]" 1 476 1 24 PRO QG 1 27 LEU MD1 . . 3.710 1.972 1.844 2.487 . 0 0 "[ . 1 . 2]" 1 477 1 24 PRO QG 1 27 LEU MD2 . . 4.410 3.578 3.445 3.693 . 0 0 "[ . 1 . 2]" 1 478 1 24 PRO QG 1 82 VAL MG1 . . 4.120 2.924 2.540 3.185 . 0 0 "[ . 1 . 2]" 1 479 1 24 PRO QG 1 86 GLN HE21 . . 5.130 4.082 3.495 4.856 . 0 0 "[ . 1 . 2]" 1 480 1 24 PRO QG 1 86 GLN HE22 . . 5.130 4.516 3.724 5.109 . 0 0 "[ . 1 . 2]" 1 481 1 24 PRO QG 1 89 GLN QE . . 5.340 4.335 3.676 4.892 . 0 0 "[ . 1 . 2]" 1 482 1 25 PHE H 1 25 PHE HB2 . . 3.440 2.412 2.323 2.496 . 0 0 "[ . 1 . 2]" 1 483 1 25 PHE H 1 25 PHE HB3 . . 3.440 2.655 2.563 2.758 . 0 0 "[ . 1 . 2]" 1 484 1 25 PHE H 1 25 PHE QD . . 4.310 4.162 4.115 4.184 . 0 0 "[ . 1 . 2]" 1 485 1 25 PHE H 1 26 ASP H . . 3.790 2.693 2.651 2.767 . 0 0 "[ . 1 . 2]" 1 486 1 25 PHE H 1 27 LEU H . . 4.760 4.254 4.188 4.324 . 0 0 "[ . 1 . 2]" 1 487 1 25 PHE H 1 60 ASP H . . 5.500 5.465 5.194 5.502 0.002 18 0 "[ . 1 . 2]" 1 488 1 25 PHE H 1 60 ASP HA . . 3.540 3.179 3.026 3.382 . 0 0 "[ . 1 . 2]" 1 489 1 25 PHE H 1 60 ASP QB . . 4.830 3.243 2.516 3.546 . 0 0 "[ . 1 . 2]" 1 490 1 25 PHE HA 1 25 PHE QD . . 3.810 3.093 2.899 3.180 . 0 0 "[ . 1 . 2]" 1 491 1 25 PHE HA 1 26 ASP HA . . 5.440 4.808 4.738 4.886 . 0 0 "[ . 1 . 2]" 1 492 1 25 PHE HA 1 28 HIS H . . 4.230 2.912 2.810 3.042 . 0 0 "[ . 1 . 2]" 1 493 1 25 PHE HA 1 28 HIS HA . . 5.500 4.629 4.442 4.728 . 0 0 "[ . 1 . 2]" 1 494 1 25 PHE HA 1 28 HIS HD2 . . 4.470 3.275 2.859 3.627 . 0 0 "[ . 1 . 2]" 1 495 1 25 PHE HA 1 28 HIS HE1 . . 4.630 3.494 3.085 3.798 . 0 0 "[ . 1 . 2]" 1 496 1 25 PHE HA 1 60 ASP HA . . 4.760 4.099 3.891 4.321 . 0 0 "[ . 1 . 2]" 1 497 1 25 PHE QB 1 26 ASP H . . 3.640 2.958 2.680 3.165 . 0 0 "[ . 1 . 2]" 1 498 1 25 PHE QB 1 28 HIS HE1 . . 4.430 3.814 3.251 4.257 . 0 0 "[ . 1 . 2]" 1 499 1 25 PHE QB 1 60 ASP HA . . 4.400 3.386 3.184 3.566 . 0 0 "[ . 1 . 2]" 1 500 1 25 PHE HB2 1 26 ASP H . . 4.170 4.045 3.884 4.165 . 0 0 "[ . 1 . 2]" 1 501 1 25 PHE HB2 1 60 ASP HA . . 5.050 3.451 3.231 3.651 . 0 0 "[ . 1 . 2]" 1 502 1 25 PHE HB3 1 26 ASP H . . 4.170 3.043 2.728 3.282 . 0 0 "[ . 1 . 2]" 1 503 1 25 PHE HB3 1 60 ASP HA . . 5.050 4.914 4.781 5.021 . 0 0 "[ . 1 . 2]" 1 504 1 25 PHE QD 1 26 ASP H . . 4.190 3.913 3.446 4.180 . 0 0 "[ . 1 . 2]" 1 505 1 25 PHE QD 1 26 ASP HA . . 4.440 3.271 2.856 3.536 . 0 0 "[ . 1 . 2]" 1 506 1 25 PHE QD 1 28 HIS HE1 . . 4.990 3.104 2.442 3.798 . 0 0 "[ . 1 . 2]" 1 507 1 25 PHE QD 1 58 GLN HA . . 4.430 3.911 3.101 4.264 . 0 0 "[ . 1 . 2]" 1 508 1 25 PHE QD 1 59 SER H . . 4.250 3.534 3.149 4.095 . 0 0 "[ . 1 . 2]" 1 509 1 25 PHE QE 1 55 PRO HA . . 3.780 2.474 1.998 2.791 . 0 0 "[ . 1 . 2]" 1 510 1 25 PHE QE 1 55 PRO HB2 . . 4.900 4.322 4.109 4.620 . 0 0 "[ . 1 . 2]" 1 511 1 25 PHE QE 1 55 PRO QB . . 4.170 3.100 2.872 3.310 . 0 0 "[ . 1 . 2]" 1 512 1 25 PHE QE 1 55 PRO HB3 . . 4.900 3.178 2.931 3.391 . 0 0 "[ . 1 . 2]" 1 513 1 25 PHE QE 1 58 GLN HA . . 5.310 4.608 3.917 5.210 . 0 0 "[ . 1 . 2]" 1 514 1 25 PHE HZ 1 55 PRO HA . . 4.350 2.716 2.328 3.264 . 0 0 "[ . 1 . 2]" 1 515 1 25 PHE HZ 1 55 PRO HB2 . . 4.480 3.753 3.608 4.120 . 0 0 "[ . 1 . 2]" 1 516 1 25 PHE HZ 1 55 PRO HB3 . . 4.480 2.080 2.003 2.445 . 0 0 "[ . 1 . 2]" 1 517 1 25 PHE HZ 1 55 PRO HD2 . . 5.090 4.742 4.224 5.089 . 0 0 "[ . 1 . 2]" 1 518 1 25 PHE HZ 1 55 PRO HD3 . . 5.090 3.282 2.732 3.772 . 0 0 "[ . 1 . 2]" 1 519 1 25 PHE HZ 1 55 PRO QG . . 5.120 3.628 3.389 3.940 . 0 0 "[ . 1 . 2]" 1 520 1 26 ASP H 1 26 ASP QB . . 2.870 2.381 2.181 2.663 . 0 0 "[ . 1 . 2]" 1 521 1 26 ASP H 1 27 LEU H . . 3.460 2.617 2.489 2.764 . 0 0 "[ . 1 . 2]" 1 522 1 26 ASP H 1 28 HIS H . . 4.650 4.085 3.956 4.228 . 0 0 "[ . 1 . 2]" 1 523 1 26 ASP QB 1 27 LEU H . . 3.800 3.135 3.000 3.482 . 0 0 "[ . 1 . 2]" 1 524 1 26 ASP QB 1 27 LEU MD2 . . 4.080 3.775 3.293 4.046 . 0 0 "[ . 1 . 2]" 1 525 1 26 ASP QB 1 28 HIS H . . 4.990 4.886 4.772 4.989 . 0 0 "[ . 1 . 2]" 1 526 1 27 LEU H 1 27 LEU HB2 . . 3.330 2.392 2.308 2.477 . 0 0 "[ . 1 . 2]" 1 527 1 27 LEU H 1 27 LEU HB3 . . 3.750 3.627 3.572 3.679 . 0 0 "[ . 1 . 2]" 1 528 1 27 LEU H 1 27 LEU MD1 . . 4.020 3.909 3.787 4.019 . 0 0 "[ . 1 . 2]" 1 529 1 27 LEU H 1 27 LEU MD2 . . 4.100 3.839 3.621 4.014 . 0 0 "[ . 1 . 2]" 1 530 1 27 LEU H 1 27 LEU HG . . 3.470 2.947 2.813 3.096 . 0 0 "[ . 1 . 2]" 1 531 1 27 LEU H 1 28 HIS HD2 . . 4.340 3.875 3.347 4.298 . 0 0 "[ . 1 . 2]" 1 532 1 27 LEU H 1 30 TYR QD . . 5.500 4.936 4.842 5.122 . 0 0 "[ . 1 . 2]" 1 533 1 27 LEU HA 1 27 LEU MD1 . . 4.440 3.847 3.796 3.890 . 0 0 "[ . 1 . 2]" 1 534 1 27 LEU HA 1 27 LEU MD2 . . 3.180 2.113 1.967 2.230 . 0 0 "[ . 1 . 2]" 1 535 1 27 LEU HA 1 30 TYR QD . . 3.380 2.089 1.998 2.246 . 0 0 "[ . 1 . 2]" 1 536 1 27 LEU HA 1 30 TYR QE . . 4.020 3.525 3.282 3.870 . 0 0 "[ . 1 . 2]" 1 537 1 27 LEU HB2 1 27 LEU MD1 . . 3.330 2.266 2.121 2.426 . 0 0 "[ . 1 . 2]" 1 538 1 27 LEU HB2 1 27 LEU MD2 . . 3.460 3.183 3.171 3.191 . 0 0 "[ . 1 . 2]" 1 539 1 27 LEU HB2 1 28 HIS H . . 4.230 2.897 2.795 3.031 . 0 0 "[ . 1 . 2]" 1 540 1 27 LEU HB2 1 28 HIS HA . . 4.970 4.360 4.278 4.445 . 0 0 "[ . 1 . 2]" 1 541 1 27 LEU HB2 1 28 HIS HD2 . . 4.150 3.413 3.025 3.745 . 0 0 "[ . 1 . 2]" 1 542 1 27 LEU HB2 1 31 VAL MG2 . . 4.210 3.380 3.138 3.574 . 0 0 "[ . 1 . 2]" 1 543 1 27 LEU HB2 1 82 VAL MG2 . . 4.300 3.928 3.486 4.187 . 0 0 "[ . 1 . 2]" 1 544 1 27 LEU HB3 1 27 LEU MD1 . . 3.310 2.402 2.256 2.529 . 0 0 "[ . 1 . 2]" 1 545 1 27 LEU HB3 1 27 LEU MD2 . . 3.280 2.290 2.230 2.385 . 0 0 "[ . 1 . 2]" 1 546 1 27 LEU HB3 1 28 HIS H . . 4.550 3.746 3.608 3.903 . 0 0 "[ . 1 . 2]" 1 547 1 27 LEU HB3 1 28 HIS HA . . 5.280 4.448 4.337 4.583 . 0 0 "[ . 1 . 2]" 1 548 1 27 LEU HB3 1 28 HIS HD2 . . 4.930 4.382 4.145 4.721 . 0 0 "[ . 1 . 2]" 1 549 1 27 LEU HB3 1 30 TYR QD . . 4.170 3.714 3.365 4.024 . 0 0 "[ . 1 . 2]" 1 550 1 27 LEU HB3 1 31 VAL MG2 . . 3.410 2.560 2.361 2.725 . 0 0 "[ . 1 . 2]" 1 551 1 27 LEU HB3 1 82 VAL HA . . 5.330 4.429 4.211 4.659 . 0 0 "[ . 1 . 2]" 1 552 1 27 LEU HB3 1 82 VAL MG2 . . 4.380 3.956 3.555 4.268 . 0 0 "[ . 1 . 2]" 1 553 1 27 LEU MD1 1 30 TYR QD . . 5.080 4.572 4.299 4.866 . 0 0 "[ . 1 . 2]" 1 554 1 27 LEU MD1 1 82 VAL HA . . 4.160 2.297 2.081 2.604 . 0 0 "[ . 1 . 2]" 1 555 1 27 LEU MD1 1 85 LEU HB2 . . 4.530 2.757 2.494 3.066 . 0 0 "[ . 1 . 2]" 1 556 1 27 LEU MD1 1 85 LEU HB3 . . 4.330 3.288 2.866 3.813 . 0 0 "[ . 1 . 2]" 1 557 1 27 LEU MD1 1 86 GLN H . . 4.400 3.154 2.701 3.578 . 0 0 "[ . 1 . 2]" 1 558 1 27 LEU MD1 1 86 GLN HA . . 4.320 3.804 3.259 4.302 . 0 0 "[ . 1 . 2]" 1 559 1 27 LEU MD1 1 86 GLN HB2 . . 4.560 3.963 3.596 4.319 . 0 0 "[ . 1 . 2]" 1 560 1 27 LEU MD1 1 86 GLN HB3 . . 4.560 2.654 2.278 2.869 . 0 0 "[ . 1 . 2]" 1 561 1 27 LEU MD1 1 86 GLN HE21 . . 5.130 3.324 2.793 4.094 . 0 0 "[ . 1 . 2]" 1 562 1 27 LEU MD1 1 86 GLN QE . . 4.430 3.224 2.740 3.646 . 0 0 "[ . 1 . 2]" 1 563 1 27 LEU MD1 1 86 GLN HE22 . . 5.130 4.466 3.978 5.113 . 0 0 "[ . 1 . 2]" 1 564 1 27 LEU MD1 1 89 GLN QE . . 4.780 3.887 3.096 4.374 . 0 0 "[ . 1 . 2]" 1 565 1 27 LEU MD2 1 30 TYR HB2 . . 4.650 3.206 2.932 3.456 . 0 0 "[ . 1 . 2]" 1 566 1 27 LEU MD2 1 30 TYR QB . . 3.950 3.115 2.851 3.355 . 0 0 "[ . 1 . 2]" 1 567 1 27 LEU MD2 1 30 TYR HB3 . . 4.650 4.233 3.896 4.544 . 0 0 "[ . 1 . 2]" 1 568 1 27 LEU MD2 1 30 TYR QD . . 3.350 2.109 1.895 2.362 . 0 0 "[ . 1 . 2]" 1 569 1 27 LEU MD2 1 30 TYR QE . . 3.600 3.093 2.689 3.575 . 0 0 "[ . 1 . 2]" 1 570 1 27 LEU MD2 1 85 LEU HB3 . . 3.810 2.252 1.956 2.683 . 0 0 "[ . 1 . 2]" 1 571 1 27 LEU MD2 1 86 GLN H . . 4.260 3.313 3.006 3.792 . 0 0 "[ . 1 . 2]" 1 572 1 27 LEU MD2 1 86 GLN HA . . 4.370 3.017 2.475 3.393 . 0 0 "[ . 1 . 2]" 1 573 1 27 LEU MD2 1 89 GLN HE21 . . 4.710 3.393 2.217 4.135 . 0 0 "[ . 1 . 2]" 1 574 1 27 LEU MD2 1 89 GLN QE . . 4.080 2.805 1.774 3.475 . 0 0 "[ . 1 . 2]" 1 575 1 27 LEU MD2 1 89 GLN HE22 . . 4.710 3.228 1.800 4.698 . 0 0 "[ . 1 . 2]" 1 576 1 27 LEU MD2 1 89 GLN QG . . 4.320 3.076 2.091 4.318 . 0 0 "[ . 1 . 2]" 1 577 1 27 LEU HG 1 28 HIS H . . 4.720 4.589 4.486 4.699 . 0 0 "[ . 1 . 2]" 1 578 1 28 HIS H 1 28 HIS HB2 . . 3.440 2.540 2.483 2.609 . 0 0 "[ . 1 . 2]" 1 579 1 28 HIS H 1 28 HIS HB3 . . 3.650 3.609 3.594 3.625 . 0 0 "[ . 1 . 2]" 1 580 1 28 HIS H 1 28 HIS HD2 . . 3.370 2.465 2.011 2.761 . 0 0 "[ . 1 . 2]" 1 581 1 28 HIS H 1 29 ARG H . . 3.830 3.115 2.933 3.218 . 0 0 "[ . 1 . 2]" 1 582 1 28 HIS H 1 30 TYR QD . . 5.500 5.329 5.254 5.431 . 0 0 "[ . 1 . 2]" 1 583 1 28 HIS H 1 31 VAL MG2 . . 4.130 3.784 3.589 4.008 . 0 0 "[ . 1 . 2]" 1 584 1 28 HIS H 1 62 ILE MD . . 5.070 4.919 4.656 5.067 . 0 0 "[ . 1 . 2]" 1 585 1 28 HIS HA 1 28 HIS HD2 . . 3.670 2.518 2.352 2.797 . 0 0 "[ . 1 . 2]" 1 586 1 28 HIS HA 1 30 TYR H . . 4.540 4.068 3.894 4.300 . 0 0 "[ . 1 . 2]" 1 587 1 28 HIS HA 1 31 VAL H . . 3.900 3.114 3.038 3.234 . 0 0 "[ . 1 . 2]" 1 588 1 28 HIS HA 1 31 VAL HB . . 3.790 2.325 2.183 2.503 . 0 0 "[ . 1 . 2]" 1 589 1 28 HIS HA 1 31 VAL MG1 . . 4.320 3.783 3.651 3.963 . 0 0 "[ . 1 . 2]" 1 590 1 28 HIS HA 1 31 VAL MG2 . . 3.030 2.693 2.553 2.933 . 0 0 "[ . 1 . 2]" 1 591 1 28 HIS HA 1 32 ILE H . . 4.040 3.464 3.243 3.652 . 0 0 "[ . 1 . 2]" 1 592 1 28 HIS HA 1 32 ILE HG12 . . 5.110 5.076 5.004 5.111 0.001 11 0 "[ . 1 . 2]" 1 593 1 28 HIS HA 1 32 ILE HG13 . . 3.850 3.498 3.366 3.588 . 0 0 "[ . 1 . 2]" 1 594 1 28 HIS HA 1 52 VAL MG1 . . 4.690 3.831 3.575 3.997 . 0 0 "[ . 1 . 2]" 1 595 1 28 HIS HA 1 52 VAL MG2 . . 4.780 3.994 3.817 4.170 . 0 0 "[ . 1 . 2]" 1 596 1 28 HIS HA 1 62 ILE MD . . 4.300 3.769 3.619 3.886 . 0 0 "[ . 1 . 2]" 1 597 1 28 HIS HB2 1 29 ARG H . . 3.940 2.302 2.159 2.535 . 0 0 "[ . 1 . 2]" 1 598 1 28 HIS HB2 1 32 ILE MD . . 4.870 3.811 3.417 4.144 . 0 0 "[ . 1 . 2]" 1 599 1 28 HIS HB2 1 52 VAL MG1 . . 3.830 3.691 3.515 3.819 . 0 0 "[ . 1 . 2]" 1 600 1 28 HIS HB2 1 52 VAL MG2 . . 5.380 5.154 4.955 5.354 . 0 0 "[ . 1 . 2]" 1 601 1 28 HIS HB3 1 29 ARG H . . 3.950 3.202 3.065 3.449 . 0 0 "[ . 1 . 2]" 1 602 1 28 HIS HB3 1 29 ARG HA . . 4.270 4.182 4.110 4.269 . 0 0 "[ . 1 . 2]" 1 603 1 28 HIS HB3 1 32 ILE MD . . 4.350 2.496 2.066 2.887 . 0 0 "[ . 1 . 2]" 1 604 1 28 HIS HB3 1 32 ILE HG13 . . 4.390 3.434 3.198 3.691 . 0 0 "[ . 1 . 2]" 1 605 1 28 HIS HB3 1 52 VAL MG1 . . 3.550 2.494 2.246 2.655 . 0 0 "[ . 1 . 2]" 1 606 1 28 HIS HB3 1 52 VAL MG2 . . 4.340 3.795 3.531 4.064 . 0 0 "[ . 1 . 2]" 1 607 1 28 HIS HB3 1 62 ILE MD . . 5.000 4.625 4.355 4.838 . 0 0 "[ . 1 . 2]" 1 608 1 28 HIS HD2 1 31 VAL MG1 . . 5.280 4.722 4.297 5.148 . 0 0 "[ . 1 . 2]" 1 609 1 28 HIS HD2 1 31 VAL MG2 . . 4.120 3.316 3.026 3.625 . 0 0 "[ . 1 . 2]" 1 610 1 28 HIS HD2 1 52 VAL MG2 . . 5.500 4.441 3.969 4.914 . 0 0 "[ . 1 . 2]" 1 611 1 28 HIS HD2 1 62 ILE MD . . 4.190 2.855 2.246 3.488 . 0 0 "[ . 1 . 2]" 1 612 1 28 HIS HE1 1 52 VAL HA . . 5.260 4.558 3.997 4.942 . 0 0 "[ . 1 . 2]" 1 613 1 28 HIS HE1 1 52 VAL MG1 . . 4.580 2.874 2.457 3.218 . 0 0 "[ . 1 . 2]" 1 614 1 28 HIS HE1 1 52 VAL MG2 . . 5.500 4.633 4.341 4.948 . 0 0 "[ . 1 . 2]" 1 615 1 28 HIS HE1 1 53 PRO QB . . 4.430 4.111 3.967 4.301 . 0 0 "[ . 1 . 2]" 1 616 1 28 HIS HE1 1 53 PRO HD2 . . 4.570 2.493 2.005 2.867 . 0 0 "[ . 1 . 2]" 1 617 1 28 HIS HE1 1 53 PRO HD3 . . 4.310 3.712 3.402 4.075 . 0 0 "[ . 1 . 2]" 1 618 1 28 HIS HE1 1 53 PRO HG2 . . 4.260 2.141 1.999 2.371 . 0 0 "[ . 1 . 2]" 1 619 1 28 HIS HE1 1 53 PRO HG3 . . 4.230 2.912 2.675 3.255 . 0 0 "[ . 1 . 2]" 1 620 1 28 HIS HE1 1 60 ASP HA . . 4.400 3.316 2.671 3.641 . 0 0 "[ . 1 . 2]" 1 621 1 28 HIS HE1 1 62 ILE MD . . 5.020 4.159 3.855 4.465 . 0 0 "[ . 1 . 2]" 1 622 1 28 HIS HE1 1 62 ILE HG12 . . 5.500 3.874 3.449 4.369 . 0 0 "[ . 1 . 2]" 1 623 1 28 HIS HE1 1 62 ILE HG13 . . 4.980 3.508 3.051 3.937 . 0 0 "[ . 1 . 2]" 1 624 1 29 ARG H 1 29 ARG HB2 . . 3.810 3.588 3.515 3.611 . 0 0 "[ . 1 . 2]" 1 625 1 29 ARG H 1 29 ARG QB . . 3.340 2.445 2.195 2.660 . 0 0 "[ . 1 . 2]" 1 626 1 29 ARG H 1 29 ARG HB3 . . 3.810 2.490 2.217 2.743 . 0 0 "[ . 1 . 2]" 1 627 1 29 ARG H 1 29 ARG QD . . 4.500 3.763 3.228 4.214 . 0 0 "[ . 1 . 2]" 1 628 1 29 ARG H 1 29 ARG HG2 . . 4.100 2.291 1.940 2.907 . 0 0 "[ . 1 . 2]" 1 629 1 29 ARG H 1 29 ARG QG . . 3.490 2.261 1.908 2.850 . 0 0 "[ . 1 . 2]" 1 630 1 29 ARG H 1 29 ARG HG3 . . 4.100 3.502 2.830 4.097 . 0 0 "[ . 1 . 2]" 1 631 1 29 ARG H 1 30 TYR H . . 3.830 2.862 2.699 2.947 . 0 0 "[ . 1 . 2]" 1 632 1 29 ARG H 1 31 VAL H . . 4.970 4.194 4.045 4.345 . 0 0 "[ . 1 . 2]" 1 633 1 29 ARG H 1 32 ILE MD . . 5.100 4.136 3.616 4.440 . 0 0 "[ . 1 . 2]" 1 634 1 29 ARG HA 1 29 ARG QD . . 4.490 4.363 4.211 4.493 0.003 14 0 "[ . 1 . 2]" 1 635 1 29 ARG HA 1 31 VAL H . . 4.750 4.540 4.242 4.726 . 0 0 "[ . 1 . 2]" 1 636 1 29 ARG HA 1 32 ILE H . . 4.390 4.131 3.953 4.319 . 0 0 "[ . 1 . 2]" 1 637 1 29 ARG HA 1 32 ILE HB . . 3.940 3.534 3.317 3.768 . 0 0 "[ . 1 . 2]" 1 638 1 29 ARG HA 1 32 ILE MD . . 3.580 3.202 2.762 3.558 . 0 0 "[ . 1 . 2]" 1 639 1 29 ARG QB 1 30 TYR H . . 3.820 3.454 3.352 3.574 . 0 0 "[ . 1 . 2]" 1 640 1 29 ARG QB 1 30 TYR QE . . 4.970 4.461 3.963 4.946 . 0 0 "[ . 1 . 2]" 1 641 1 29 ARG HB2 1 29 ARG QD . . 3.500 2.624 2.199 3.108 . 0 0 "[ . 1 . 2]" 1 642 1 29 ARG HB2 1 30 TYR H . . 4.410 3.804 3.647 3.987 . 0 0 "[ . 1 . 2]" 1 643 1 29 ARG HB3 1 29 ARG QD . . 3.500 2.438 2.075 2.931 . 0 0 "[ . 1 . 2]" 1 644 1 29 ARG HB3 1 30 TYR H . . 4.410 3.977 3.698 4.165 . 0 0 "[ . 1 . 2]" 1 645 1 29 ARG QD 1 30 TYR H . . 5.150 4.070 3.810 4.521 . 0 0 "[ . 1 . 2]" 1 646 1 29 ARG QD 1 30 TYR QD . . 5.190 3.922 3.597 4.280 . 0 0 "[ . 1 . 2]" 1 647 1 29 ARG QD 1 30 TYR QE . . 3.960 3.143 2.561 3.651 . 0 0 "[ . 1 . 2]" 1 648 1 29 ARG QG 1 30 TYR QE . . 4.280 3.174 2.777 3.466 . 0 0 "[ . 1 . 2]" 1 649 1 29 ARG QG 1 31 VAL H . . 4.560 4.225 4.063 4.379 . 0 0 "[ . 1 . 2]" 1 650 1 29 ARG HG2 1 30 TYR H . . 3.960 2.526 1.955 3.269 . 0 0 "[ . 1 . 2]" 1 651 1 29 ARG HG2 1 30 TYR QD . . 4.650 3.876 3.247 4.629 . 0 0 "[ . 1 . 2]" 1 652 1 29 ARG HG2 1 30 TYR QE . . 4.890 4.161 3.622 4.695 . 0 0 "[ . 1 . 2]" 1 653 1 29 ARG HG3 1 30 TYR H . . 3.960 2.528 2.149 2.913 . 0 0 "[ . 1 . 2]" 1 654 1 29 ARG HG3 1 30 TYR QD . . 4.650 3.004 2.527 3.298 . 0 0 "[ . 1 . 2]" 1 655 1 29 ARG HG3 1 30 TYR QE . . 4.890 3.300 2.823 3.570 . 0 0 "[ . 1 . 2]" 1 656 1 30 TYR H 1 30 TYR HB2 . . 3.760 2.520 2.416 2.591 . 0 0 "[ . 1 . 2]" 1 657 1 30 TYR H 1 30 TYR QB . . 3.160 2.475 2.381 2.540 . 0 0 "[ . 1 . 2]" 1 658 1 30 TYR H 1 30 TYR HB3 . . 3.760 3.627 3.603 3.657 . 0 0 "[ . 1 . 2]" 1 659 1 30 TYR H 1 30 TYR QE . . 4.770 4.600 4.475 4.738 . 0 0 "[ . 1 . 2]" 1 660 1 30 TYR H 1 31 VAL H . . 3.080 2.370 2.236 2.481 . 0 0 "[ . 1 . 2]" 1 661 1 30 TYR H 1 31 VAL HA . . 5.330 5.025 4.918 5.114 . 0 0 "[ . 1 . 2]" 1 662 1 30 TYR H 1 31 VAL HB . . 4.710 4.598 4.423 4.712 0.002 2 0 "[ . 1 . 2]" 1 663 1 30 TYR H 1 31 VAL MG2 . . 3.970 3.745 3.666 3.941 . 0 0 "[ . 1 . 2]" 1 664 1 30 TYR H 1 32 ILE H . . 4.520 4.285 4.111 4.516 . 0 0 "[ . 1 . 2]" 1 665 1 30 TYR HA 1 30 TYR QD . . 3.290 2.136 2.001 2.344 . 0 0 "[ . 1 . 2]" 1 666 1 30 TYR HA 1 30 TYR QE . . 4.580 4.412 4.311 4.502 . 0 0 "[ . 1 . 2]" 1 667 1 30 TYR HA 1 33 GLY H . . 4.270 3.942 3.293 4.221 . 0 0 "[ . 1 . 2]" 1 668 1 30 TYR QB 1 31 VAL H . . 3.610 2.679 2.539 2.914 . 0 0 "[ . 1 . 2]" 1 669 1 30 TYR QB 1 31 VAL MG2 . . 3.740 3.151 3.024 3.379 . 0 0 "[ . 1 . 2]" 1 670 1 30 TYR QB 1 85 LEU MD2 . . 3.320 2.999 2.512 3.225 . 0 0 "[ . 1 . 2]" 1 671 1 30 TYR HB2 1 31 VAL H . . 4.210 2.737 2.590 2.991 . 0 0 "[ . 1 . 2]" 1 672 1 30 TYR HB2 1 31 VAL MG2 . . 4.540 3.233 3.101 3.489 . 0 0 "[ . 1 . 2]" 1 673 1 30 TYR HB2 1 85 LEU MD1 . . 4.030 3.465 3.147 3.988 . 0 0 "[ . 1 . 2]" 1 674 1 30 TYR HB2 1 85 LEU MD2 . . 4.010 3.599 3.026 3.991 . 0 0 "[ . 1 . 2]" 1 675 1 30 TYR HB3 1 31 VAL H . . 4.210 3.819 3.587 4.023 . 0 0 "[ . 1 . 2]" 1 676 1 30 TYR HB3 1 31 VAL MG2 . . 4.540 4.370 4.194 4.523 . 0 0 "[ . 1 . 2]" 1 677 1 30 TYR HB3 1 85 LEU MD1 . . 4.030 3.898 3.620 4.032 0.002 1 0 "[ . 1 . 2]" 1 678 1 30 TYR HB3 1 85 LEU MD2 . . 4.010 3.216 2.684 3.485 . 0 0 "[ . 1 . 2]" 1 679 1 30 TYR QD 1 31 VAL H . . 4.560 4.356 4.159 4.493 . 0 0 "[ . 1 . 2]" 1 680 1 30 TYR QE 1 89 GLN HB2 . . 5.070 4.188 2.940 5.071 0.001 10 0 "[ . 1 . 2]" 1 681 1 30 TYR QE 1 89 GLN HB3 . . 5.070 4.110 3.199 5.025 . 0 0 "[ . 1 . 2]" 1 682 1 30 TYR QE 1 89 GLN QG . . 5.110 4.420 3.452 4.985 . 0 0 "[ . 1 . 2]" 1 683 1 31 VAL H 1 31 VAL HB . . 3.240 2.527 2.384 2.607 . 0 0 "[ . 1 . 2]" 1 684 1 31 VAL H 1 31 VAL MG1 . . 3.810 3.762 3.734 3.773 . 0 0 "[ . 1 . 2]" 1 685 1 31 VAL H 1 31 VAL MG2 . . 3.240 2.092 1.905 2.531 . 0 0 "[ . 1 . 2]" 1 686 1 31 VAL H 1 33 GLY H . . 5.150 4.271 3.827 4.568 . 0 0 "[ . 1 . 2]" 1 687 1 31 VAL HA 1 31 VAL MG1 . . 3.280 2.370 2.258 2.443 . 0 0 "[ . 1 . 2]" 1 688 1 31 VAL HA 1 31 VAL MG2 . . 3.140 2.390 2.192 2.458 . 0 0 "[ . 1 . 2]" 1 689 1 31 VAL HA 1 39 ILE MD . . 4.750 4.647 4.537 4.748 . 0 0 "[ . 1 . 2]" 1 690 1 31 VAL HA 1 39 ILE HG12 . . 4.790 4.639 4.377 4.788 . 0 0 "[ . 1 . 2]" 1 691 1 31 VAL HA 1 81 ARG HG2 . . 5.220 4.730 3.982 5.217 . 0 0 "[ . 1 . 2]" 1 692 1 31 VAL HA 1 85 LEU MD1 . . 3.930 3.744 3.150 3.930 0.000 4 0 "[ . 1 . 2]" 1 693 1 31 VAL HB 1 32 ILE H . . 3.480 2.290 2.126 2.462 . 0 0 "[ . 1 . 2]" 1 694 1 31 VAL HB 1 32 ILE HB . . 5.090 4.804 4.634 4.953 . 0 0 "[ . 1 . 2]" 1 695 1 31 VAL HB 1 32 ILE MD . . 4.640 4.309 3.959 4.581 . 0 0 "[ . 1 . 2]" 1 696 1 31 VAL HB 1 32 ILE HG12 . . 5.130 4.435 4.239 4.631 . 0 0 "[ . 1 . 2]" 1 697 1 31 VAL HB 1 32 ILE HG13 . . 4.170 3.004 2.801 3.208 . 0 0 "[ . 1 . 2]" 1 698 1 31 VAL HB 1 39 ILE MD . . 3.810 3.374 3.248 3.540 . 0 0 "[ . 1 . 2]" 1 699 1 31 VAL HB 1 39 ILE HG13 . . 4.490 4.405 4.237 4.490 0.000 1 0 "[ . 1 . 2]" 1 700 1 31 VAL HB 1 62 ILE MD . . 4.690 3.989 3.841 4.118 . 0 0 "[ . 1 . 2]" 1 701 1 31 VAL MG1 1 32 ILE H . . 3.860 3.170 2.995 3.355 . 0 0 "[ . 1 . 2]" 1 702 1 31 VAL MG1 1 32 ILE HA . . 4.080 3.360 3.202 3.518 . 0 0 "[ . 1 . 2]" 1 703 1 31 VAL MG1 1 39 ILE HG12 . . 3.720 2.101 1.965 2.264 . 0 0 "[ . 1 . 2]" 1 704 1 31 VAL MG1 1 39 ILE HG13 . . 4.090 2.518 2.180 2.831 . 0 0 "[ . 1 . 2]" 1 705 1 31 VAL MG2 1 62 ILE MD . . 3.600 3.342 3.159 3.531 . 0 0 "[ . 1 . 2]" 1 706 1 32 ILE H 1 32 ILE HB . . 3.470 2.622 2.566 2.644 . 0 0 "[ . 1 . 2]" 1 707 1 32 ILE H 1 32 ILE MD . . 4.070 3.302 3.133 3.446 . 0 0 "[ . 1 . 2]" 1 708 1 32 ILE H 1 32 ILE HG12 . . 3.510 3.369 3.222 3.494 . 0 0 "[ . 1 . 2]" 1 709 1 32 ILE H 1 32 ILE HG13 . . 3.420 1.932 1.900 2.022 . 0 0 "[ . 1 . 2]" 1 710 1 32 ILE H 1 32 ILE MG . . 3.900 3.765 3.761 3.771 . 0 0 "[ . 1 . 2]" 1 711 1 32 ILE H 1 33 GLY H . . 3.660 2.856 2.519 3.018 . 0 0 "[ . 1 . 2]" 1 712 1 32 ILE H 1 39 ILE MD . . 3.910 3.201 2.998 3.464 . 0 0 "[ . 1 . 2]" 1 713 1 32 ILE HA 1 32 ILE MD . . 4.200 3.893 3.852 3.937 . 0 0 "[ . 1 . 2]" 1 714 1 32 ILE HA 1 32 ILE HG12 . . 3.710 2.707 2.583 2.858 . 0 0 "[ . 1 . 2]" 1 715 1 32 ILE HA 1 32 ILE HG13 . . 4.200 2.904 2.788 3.041 . 0 0 "[ . 1 . 2]" 1 716 1 32 ILE HA 1 32 ILE MG . . 3.520 2.314 2.215 2.442 . 0 0 "[ . 1 . 2]" 1 717 1 32 ILE HA 1 39 ILE H . . 4.170 3.490 2.922 3.843 . 0 0 "[ . 1 . 2]" 1 718 1 32 ILE HA 1 39 ILE HB . . 3.820 3.453 3.221 3.660 . 0 0 "[ . 1 . 2]" 1 719 1 32 ILE HA 1 39 ILE MD . . 4.060 2.048 1.931 2.257 . 0 0 "[ . 1 . 2]" 1 720 1 32 ILE HA 1 39 ILE HG13 . . 4.220 2.084 1.999 2.262 . 0 0 "[ . 1 . 2]" 1 721 1 32 ILE HA 1 39 ILE MG . . 4.380 4.307 4.110 4.379 . 0 0 "[ . 1 . 2]" 1 722 1 32 ILE HB 1 32 ILE MD . . 3.410 2.309 2.159 2.442 . 0 0 "[ . 1 . 2]" 1 723 1 32 ILE HB 1 33 GLY H . . 3.670 2.334 2.042 2.860 . 0 0 "[ . 1 . 2]" 1 724 1 32 ILE MD 1 32 ILE MG . . 2.860 2.153 1.953 2.385 . 0 0 "[ . 1 . 2]" 1 725 1 32 ILE MD 1 33 GLY H . . 4.500 4.173 3.927 4.477 . 0 0 "[ . 1 . 2]" 1 726 1 32 ILE MD 1 52 VAL H . . 5.500 4.820 4.325 5.288 . 0 0 "[ . 1 . 2]" 1 727 1 32 ILE MD 1 52 VAL HB . . 3.810 2.739 2.273 3.219 . 0 0 "[ . 1 . 2]" 1 728 1 32 ILE MD 1 52 VAL MG2 . . 3.310 2.751 2.052 3.088 . 0 0 "[ . 1 . 2]" 1 729 1 32 ILE HG12 1 52 VAL HB . . 4.630 3.607 3.285 3.884 . 0 0 "[ . 1 . 2]" 1 730 1 32 ILE HG12 1 52 VAL MG1 . . 4.050 3.780 3.399 4.024 . 0 0 "[ . 1 . 2]" 1 731 1 32 ILE HG12 1 52 VAL MG2 . . 3.390 2.520 2.174 2.906 . 0 0 "[ . 1 . 2]" 1 732 1 32 ILE HG13 1 32 ILE MG . . 3.630 3.176 3.146 3.195 . 0 0 "[ . 1 . 2]" 1 733 1 32 ILE HG13 1 33 GLY H . . 4.420 4.093 3.972 4.214 . 0 0 "[ . 1 . 2]" 1 734 1 32 ILE HG13 1 39 ILE MD . . 3.620 2.616 2.092 2.949 . 0 0 "[ . 1 . 2]" 1 735 1 32 ILE HG13 1 52 VAL HB . . 4.670 4.420 4.080 4.601 . 0 0 "[ . 1 . 2]" 1 736 1 32 ILE HG13 1 52 VAL MG1 . . 4.130 3.641 3.316 3.895 . 0 0 "[ . 1 . 2]" 1 737 1 32 ILE MG 1 33 GLY H . . 3.930 3.312 3.081 3.840 . 0 0 "[ . 1 . 2]" 1 738 1 32 ILE MG 1 36 GLY H . . 4.920 3.423 2.534 4.817 . 0 0 "[ . 1 . 2]" 1 739 1 32 ILE MG 1 36 GLY HA2 . . 3.920 2.386 1.968 3.181 . 0 0 "[ . 1 . 2]" 1 740 1 32 ILE MG 1 36 GLY HA3 . . 3.920 3.355 2.938 3.921 0.001 6 0 "[ . 1 . 2]" 1 741 1 32 ILE MG 1 39 ILE MD . . 3.140 2.875 2.564 3.135 . 0 0 "[ . 1 . 2]" 1 742 1 32 ILE MG 1 52 VAL HB . . 5.020 4.698 4.475 4.997 . 0 0 "[ . 1 . 2]" 1 743 1 34 GLN HA 1 34 GLN HG2 . . 4.040 3.486 2.633 3.869 . 0 0 "[ . 1 . 2]" 1 744 1 34 GLN HA 1 34 GLN HG3 . . 4.040 3.001 2.270 3.808 . 0 0 "[ . 1 . 2]" 1 745 1 34 GLN QG 1 35 LYS QD . . 5.260 4.369 2.677 5.259 . 0 0 "[ . 1 . 2]" 1 746 1 34 GLN QG 1 35 LYS QG . . 4.240 3.543 2.085 4.238 . 0 0 "[ . 1 . 2]" 1 747 1 35 LYS HA 1 35 LYS HG2 . . 3.850 2.820 2.269 3.679 . 0 0 "[ . 1 . 2]" 1 748 1 35 LYS HA 1 35 LYS QG . . 3.350 2.479 2.194 3.322 . 0 0 "[ . 1 . 2]" 1 749 1 35 LYS HA 1 35 LYS HG3 . . 3.850 3.060 2.252 3.853 0.003 19 0 "[ . 1 . 2]" 1 750 1 35 LYS QB 1 37 SER H . . 4.650 3.780 2.819 4.564 . 0 0 "[ . 1 . 2]" 1 751 1 35 LYS HB2 1 35 LYS QD . . 3.480 2.665 2.137 3.302 . 0 0 "[ . 1 . 2]" 1 752 1 35 LYS HB2 1 37 SER H . . 5.380 4.370 2.950 5.357 . 0 0 "[ . 1 . 2]" 1 753 1 35 LYS HB3 1 35 LYS QD . . 3.480 2.580 2.065 3.424 . 0 0 "[ . 1 . 2]" 1 754 1 35 LYS HB3 1 37 SER H . . 5.380 4.457 2.923 5.331 . 0 0 "[ . 1 . 2]" 1 755 1 35 LYS QE 1 35 LYS HG2 . . 3.640 2.528 2.091 3.326 . 0 0 "[ . 1 . 2]" 1 756 1 35 LYS QE 1 35 LYS QG . . 3.180 2.250 2.054 2.564 . 0 0 "[ . 1 . 2]" 1 757 1 35 LYS QE 1 35 LYS HG3 . . 3.640 2.888 2.169 3.508 . 0 0 "[ . 1 . 2]" 1 758 1 35 LYS QG 1 36 GLY H . . 5.060 4.307 3.707 4.764 . 0 0 "[ . 1 . 2]" 1 759 1 36 GLY H 1 37 SER H . . 4.890 2.724 1.816 3.326 . 0 0 "[ . 1 . 2]" 1 760 1 37 SER H 1 37 SER QB . . 3.680 2.527 2.239 2.928 . 0 0 "[ . 1 . 2]" 1 761 1 37 SER H 1 40 ARG QB . . 5.450 4.504 4.287 4.884 . 0 0 "[ . 1 . 2]" 1 762 1 37 SER HA 1 40 ARG H . . 3.610 3.430 3.079 3.597 . 0 0 "[ . 1 . 2]" 1 763 1 37 SER HA 1 40 ARG QB . . 3.540 2.283 2.053 2.616 . 0 0 "[ . 1 . 2]" 1 764 1 37 SER HA 1 40 ARG QG . . 4.440 3.698 2.814 4.446 0.006 18 0 "[ . 1 . 2]" 1 765 1 37 SER HA 1 41 LYS H . . 5.020 4.159 3.830 4.804 . 0 0 "[ . 1 . 2]" 1 766 1 37 SER QB 1 38 GLY H . . 4.240 2.835 2.209 3.653 . 0 0 "[ . 1 . 2]" 1 767 1 38 GLY H 1 39 ILE H . . 4.380 2.999 2.598 3.394 . 0 0 "[ . 1 . 2]" 1 768 1 38 GLY QA 1 40 ARG H . . 4.450 4.206 3.967 4.440 . 0 0 "[ . 1 . 2]" 1 769 1 38 GLY QA 1 41 LYS H . . 4.350 3.969 3.774 4.106 . 0 0 "[ . 1 . 2]" 1 770 1 38 GLY QA 1 41 LYS QB . . 3.940 3.604 3.159 3.955 0.015 18 0 "[ . 1 . 2]" 1 771 1 39 ILE H 1 39 ILE HB . . 3.560 2.437 2.342 2.581 . 0 0 "[ . 1 . 2]" 1 772 1 39 ILE H 1 39 ILE MD . . 4.510 3.732 3.523 3.959 . 0 0 "[ . 1 . 2]" 1 773 1 39 ILE H 1 39 ILE HG12 . . 4.180 3.566 3.133 3.841 . 0 0 "[ . 1 . 2]" 1 774 1 39 ILE H 1 39 ILE HG13 . . 3.980 2.393 2.022 2.741 . 0 0 "[ . 1 . 2]" 1 775 1 39 ILE H 1 39 ILE MG . . 3.920 3.745 3.700 3.780 . 0 0 "[ . 1 . 2]" 1 776 1 39 ILE H 1 40 ARG H . . 3.230 2.572 2.298 2.837 . 0 0 "[ . 1 . 2]" 1 777 1 39 ILE HA 1 39 ILE MD . . 3.960 3.778 3.695 3.833 . 0 0 "[ . 1 . 2]" 1 778 1 39 ILE HA 1 39 ILE HG12 . . 3.420 2.445 2.335 2.544 . 0 0 "[ . 1 . 2]" 1 779 1 39 ILE HA 1 39 ILE HG13 . . 4.120 2.965 2.813 3.188 . 0 0 "[ . 1 . 2]" 1 780 1 39 ILE HA 1 39 ILE MG . . 3.400 2.432 2.333 2.519 . 0 0 "[ . 1 . 2]" 1 781 1 39 ILE HA 1 42 MET H . . 4.220 3.502 3.248 3.712 . 0 0 "[ . 1 . 2]" 1 782 1 39 ILE HA 1 42 MET HB2 . . 4.090 3.538 3.078 4.050 . 0 0 "[ . 1 . 2]" 1 783 1 39 ILE HA 1 42 MET QG . . 3.980 3.397 2.692 3.883 . 0 0 "[ . 1 . 2]" 1 784 1 39 ILE HA 1 43 MET H . . 4.870 4.413 4.044 4.779 . 0 0 "[ . 1 . 2]" 1 785 1 39 ILE HA 1 43 MET QG . . 5.430 4.425 3.942 4.731 . 0 0 "[ . 1 . 2]" 1 786 1 39 ILE HA 1 50 ILE MD . . 3.890 3.644 3.162 3.862 . 0 0 "[ . 1 . 2]" 1 787 1 39 ILE HA 1 50 ILE MG . . 5.430 5.161 4.799 5.430 0.000 3 0 "[ . 1 . 2]" 1 788 1 39 ILE HB 1 39 ILE MD . . 3.360 2.387 2.271 2.558 . 0 0 "[ . 1 . 2]" 1 789 1 39 ILE HB 1 40 ARG H . . 4.400 2.619 2.412 2.869 . 0 0 "[ . 1 . 2]" 1 790 1 39 ILE HB 1 43 MET ME . . 4.500 3.296 2.917 3.701 . 0 0 "[ . 1 . 2]" 1 791 1 39 ILE HB 1 50 ILE HB . . 5.090 4.784 4.443 5.070 . 0 0 "[ . 1 . 2]" 1 792 1 39 ILE MD 1 39 ILE MG . . 3.000 1.984 1.886 2.179 . 0 0 "[ . 1 . 2]" 1 793 1 39 ILE MD 1 40 ARG H . . 4.870 4.623 4.411 4.882 0.012 18 0 "[ . 1 . 2]" 1 794 1 39 ILE MD 1 43 MET ME . . 4.340 4.033 3.560 4.275 . 0 0 "[ . 1 . 2]" 1 795 1 39 ILE MD 1 43 MET QG . . 4.770 4.687 4.536 4.772 0.002 14 0 "[ . 1 . 2]" 1 796 1 39 ILE MD 1 50 ILE HB . . 3.470 3.309 3.140 3.467 . 0 0 "[ . 1 . 2]" 1 797 1 39 ILE HG12 1 39 ILE MG . . 3.580 2.411 2.297 2.520 . 0 0 "[ . 1 . 2]" 1 798 1 39 ILE HG12 1 40 ARG H . . 5.090 4.980 4.842 5.090 0.000 7 0 "[ . 1 . 2]" 1 799 1 39 ILE HG12 1 50 ILE MD . . 3.740 3.377 2.763 3.725 . 0 0 "[ . 1 . 2]" 1 800 1 39 ILE HG13 1 39 ILE MG . . 3.590 3.192 3.184 3.203 . 0 0 "[ . 1 . 2]" 1 801 1 39 ILE HG13 1 40 ARG H . . 4.780 4.350 4.111 4.562 . 0 0 "[ . 1 . 2]" 1 802 1 39 ILE MG 1 40 ARG H . . 3.960 3.298 2.994 3.531 . 0 0 "[ . 1 . 2]" 1 803 1 39 ILE MG 1 40 ARG HA . . 4.650 3.363 3.053 3.637 . 0 0 "[ . 1 . 2]" 1 804 1 39 ILE MG 1 42 MET ME . . 4.130 3.734 2.616 4.128 . 0 0 "[ . 1 . 2]" 1 805 1 39 ILE MG 1 43 MET ME . . 3.450 2.098 1.769 2.364 . 0 0 "[ . 1 . 2]" 1 806 1 39 ILE MG 1 43 MET QG . . 3.920 2.125 1.946 2.316 . 0 0 "[ . 1 . 2]" 1 807 1 39 ILE MG 1 50 ILE HB . . 3.800 2.158 1.918 2.368 . 0 0 "[ . 1 . 2]" 1 808 1 39 ILE MG 1 50 ILE MD . . 3.200 2.003 1.718 2.251 . 0 0 "[ . 1 . 2]" 1 809 1 39 ILE MG 1 50 ILE HG13 . . 4.620 3.509 3.115 3.734 . 0 0 "[ . 1 . 2]" 1 810 1 39 ILE MG 1 50 ILE MG . . 3.410 2.723 2.312 3.017 . 0 0 "[ . 1 . 2]" 1 811 1 40 ARG H 1 40 ARG QB . . 3.000 2.215 2.120 2.313 . 0 0 "[ . 1 . 2]" 1 812 1 40 ARG H 1 40 ARG HD2 . . 5.120 4.405 2.345 5.132 0.012 12 0 "[ . 1 . 2]" 1 813 1 40 ARG H 1 40 ARG QD . . 4.510 3.918 2.071 4.467 . 0 0 "[ . 1 . 2]" 1 814 1 40 ARG H 1 40 ARG HD3 . . 5.120 4.560 2.305 5.129 0.009 3 0 "[ . 1 . 2]" 1 815 1 40 ARG H 1 40 ARG QG . . 4.090 3.559 2.597 4.065 . 0 0 "[ . 1 . 2]" 1 816 1 40 ARG H 1 41 LYS H . . 3.540 2.938 2.771 3.139 . 0 0 "[ . 1 . 2]" 1 817 1 40 ARG H 1 42 MET H . . 4.880 4.518 4.192 4.764 . 0 0 "[ . 1 . 2]" 1 818 1 40 ARG H 1 43 MET ME . . 4.560 3.375 3.017 3.965 . 0 0 "[ . 1 . 2]" 1 819 1 40 ARG HA 1 40 ARG HD2 . . 4.630 3.538 2.072 4.657 0.027 9 0 "[ . 1 . 2]" 1 820 1 40 ARG HA 1 40 ARG HD3 . . 4.630 3.899 2.536 4.640 0.010 15 0 "[ . 1 . 2]" 1 821 1 40 ARG HA 1 40 ARG QG . . 3.630 2.423 2.169 2.648 . 0 0 "[ . 1 . 2]" 1 822 1 40 ARG HA 1 42 MET H . . 4.570 4.386 3.986 4.572 0.002 20 0 "[ . 1 . 2]" 1 823 1 40 ARG HA 1 43 MET H . . 3.880 3.485 3.024 3.783 . 0 0 "[ . 1 . 2]" 1 824 1 40 ARG HA 1 43 MET QB . . 3.270 2.432 2.109 2.726 . 0 0 "[ . 1 . 2]" 1 825 1 40 ARG HA 1 43 MET ME . . 3.210 2.144 1.802 2.663 . 0 0 "[ . 1 . 2]" 1 826 1 40 ARG HA 1 43 MET QG . . 3.750 3.180 2.478 3.749 . 0 0 "[ . 1 . 2]" 1 827 1 40 ARG HA 1 44 ASP H . . 4.290 4.020 3.711 4.291 0.001 20 0 "[ . 1 . 2]" 1 828 1 40 ARG QB 1 40 ARG HD2 . . 3.870 2.608 2.144 3.383 . 0 0 "[ . 1 . 2]" 1 829 1 40 ARG QB 1 40 ARG QD . . 3.400 2.210 2.081 2.580 . 0 0 "[ . 1 . 2]" 1 830 1 40 ARG QB 1 40 ARG HD3 . . 3.870 2.540 2.206 3.401 . 0 0 "[ . 1 . 2]" 1 831 1 40 ARG QB 1 41 LYS H . . 3.050 2.498 2.143 2.934 . 0 0 "[ . 1 . 2]" 1 832 1 40 ARG QG 1 41 LYS H . . 4.770 4.017 3.400 4.478 . 0 0 "[ . 1 . 2]" 1 833 1 41 LYS H 1 41 LYS QB . . 3.240 2.282 2.227 2.541 . 0 0 "[ . 1 . 2]" 1 834 1 41 LYS H 1 41 LYS QD . . 5.070 4.264 3.523 4.611 . 0 0 "[ . 1 . 2]" 1 835 1 41 LYS H 1 41 LYS HG2 . . 4.900 4.185 2.238 4.638 . 0 0 "[ . 1 . 2]" 1 836 1 41 LYS H 1 41 LYS QG . . 4.210 3.729 2.192 4.072 . 0 0 "[ . 1 . 2]" 1 837 1 41 LYS H 1 41 LYS HG3 . . 4.900 4.265 2.813 4.643 . 0 0 "[ . 1 . 2]" 1 838 1 41 LYS H 1 42 MET H . . 3.540 2.931 2.655 3.118 . 0 0 "[ . 1 . 2]" 1 839 1 41 LYS H 1 43 MET H . . 4.730 4.494 4.087 4.729 . 0 0 "[ . 1 . 2]" 1 840 1 41 LYS H 1 44 ASP H . . 4.930 4.830 4.726 4.938 0.008 16 0 "[ . 1 . 2]" 1 841 1 41 LYS HA 1 41 LYS QD . . 4.320 3.509 2.070 4.356 0.036 4 0 "[ . 1 . 2]" 1 842 1 41 LYS HA 1 41 LYS QE . . 5.500 4.535 3.479 5.507 0.007 18 0 "[ . 1 . 2]" 1 843 1 41 LYS HA 1 41 LYS HG2 . . 3.890 3.483 2.673 3.891 0.001 9 0 "[ . 1 . 2]" 1 844 1 41 LYS HA 1 41 LYS HG3 . . 3.890 2.959 2.393 3.775 . 0 0 "[ . 1 . 2]" 1 845 1 41 LYS HA 1 43 MET H . . 5.500 4.950 4.373 5.206 . 0 0 "[ . 1 . 2]" 1 846 1 41 LYS HA 1 44 ASP H . . 4.010 3.859 3.612 4.016 0.006 2 0 "[ . 1 . 2]" 1 847 1 41 LYS HA 1 44 ASP HB2 . . 3.710 3.037 2.903 3.169 . 0 0 "[ . 1 . 2]" 1 848 1 41 LYS HA 1 44 ASP HB3 . . 4.510 4.444 4.331 4.523 0.013 20 0 "[ . 1 . 2]" 1 849 1 41 LYS HA 1 45 GLU H . . 5.110 4.262 3.869 4.759 . 0 0 "[ . 1 . 2]" 1 850 1 41 LYS QB 1 41 LYS QD . . 3.280 2.166 2.042 2.509 . 0 0 "[ . 1 . 2]" 1 851 1 41 LYS QB 1 41 LYS QE . . 3.850 3.287 2.138 3.823 . 0 0 "[ . 1 . 2]" 1 852 1 41 LYS QB 1 42 MET H . . 3.330 2.577 2.200 3.400 0.070 18 0 "[ . 1 . 2]" 1 853 1 41 LYS QB 1 44 ASP HB2 . . 5.060 4.927 4.631 5.046 . 0 0 "[ . 1 . 2]" 1 854 1 41 LYS QD 1 42 MET H . . 4.890 4.356 2.540 4.874 . 0 0 "[ . 1 . 2]" 1 855 1 41 LYS QE 1 41 LYS HG2 . . 3.920 2.575 2.118 3.285 . 0 0 "[ . 1 . 2]" 1 856 1 41 LYS QE 1 41 LYS QG . . 3.370 2.150 2.018 2.290 . 0 0 "[ . 1 . 2]" 1 857 1 41 LYS QE 1 41 LYS HG3 . . 3.920 2.622 2.074 3.352 . 0 0 "[ . 1 . 2]" 1 858 1 41 LYS QG 1 42 MET H . . 4.260 3.122 1.844 3.783 . 0 0 "[ . 1 . 2]" 1 859 1 41 LYS QG 1 42 MET HA . . 3.910 3.452 3.161 3.908 . 0 0 "[ . 1 . 2]" 1 860 1 41 LYS HG2 1 42 MET H . . 4.950 3.599 1.900 4.312 . 0 0 "[ . 1 . 2]" 1 861 1 41 LYS HG3 1 42 MET H . . 4.950 3.797 1.880 4.890 . 0 0 "[ . 1 . 2]" 1 862 1 42 MET H 1 42 MET HB2 . . 3.420 2.545 2.473 2.698 . 0 0 "[ . 1 . 2]" 1 863 1 42 MET H 1 42 MET HB3 . . 3.710 3.595 3.580 3.623 . 0 0 "[ . 1 . 2]" 1 864 1 42 MET H 1 42 MET HG2 . . 4.070 3.352 2.554 3.772 . 0 0 "[ . 1 . 2]" 1 865 1 42 MET H 1 42 MET QG . . 3.350 2.175 1.957 2.314 . 0 0 "[ . 1 . 2]" 1 866 1 42 MET H 1 42 MET HG3 . . 4.070 2.222 1.970 2.420 . 0 0 "[ . 1 . 2]" 1 867 1 42 MET H 1 43 MET H . . 3.440 2.733 2.430 2.919 . 0 0 "[ . 1 . 2]" 1 868 1 42 MET H 1 44 ASP H . . 4.600 3.974 3.763 4.201 . 0 0 "[ . 1 . 2]" 1 869 1 42 MET H 1 50 ILE MD . . 5.020 4.632 4.215 4.993 . 0 0 "[ . 1 . 2]" 1 870 1 42 MET HA 1 42 MET HG2 . . 3.700 2.700 2.407 2.899 . 0 0 "[ . 1 . 2]" 1 871 1 42 MET HA 1 42 MET QG . . 3.240 2.488 2.363 2.602 . 0 0 "[ . 1 . 2]" 1 872 1 42 MET HA 1 42 MET HG3 . . 3.700 3.057 2.720 3.583 . 0 0 "[ . 1 . 2]" 1 873 1 42 MET HA 1 44 ASP H . . 4.540 4.051 3.805 4.482 . 0 0 "[ . 1 . 2]" 1 874 1 42 MET HA 1 45 GLU H . . 3.520 3.137 2.906 3.400 . 0 0 "[ . 1 . 2]" 1 875 1 42 MET HA 1 45 GLU HB2 . . 3.960 3.614 3.276 3.984 0.024 20 0 "[ . 1 . 2]" 1 876 1 42 MET HA 1 45 GLU QB . . 3.480 2.358 2.193 2.579 . 0 0 "[ . 1 . 2]" 1 877 1 42 MET HA 1 45 GLU HB3 . . 3.960 2.392 2.215 2.612 . 0 0 "[ . 1 . 2]" 1 878 1 42 MET HA 1 45 GLU HG2 . . 4.270 3.818 1.993 4.269 . 0 0 "[ . 1 . 2]" 1 879 1 42 MET HA 1 45 GLU HG3 . . 5.070 4.749 3.621 5.065 . 0 0 "[ . 1 . 2]" 1 880 1 42 MET HA 1 46 PHE H . . 3.720 3.267 2.855 3.722 0.002 14 0 "[ . 1 . 2]" 1 881 1 42 MET HA 1 46 PHE QD . . 4.130 2.942 2.337 3.419 . 0 0 "[ . 1 . 2]" 1 882 1 42 MET HA 1 46 PHE QE . . 4.170 3.504 3.031 3.850 . 0 0 "[ . 1 . 2]" 1 883 1 42 MET HB2 1 43 MET H . . 3.700 2.325 2.095 2.751 . 0 0 "[ . 1 . 2]" 1 884 1 42 MET HB2 1 43 MET HA . . 4.200 4.143 3.954 4.214 0.014 14 0 "[ . 1 . 2]" 1 885 1 42 MET HB2 1 43 MET QG . . 4.760 3.469 3.236 3.752 . 0 0 "[ . 1 . 2]" 1 886 1 42 MET HB2 1 44 ASP H . . 5.310 4.737 4.513 5.075 . 0 0 "[ . 1 . 2]" 1 887 1 42 MET HB2 1 45 GLU H . . 5.500 5.222 4.990 5.495 . 0 0 "[ . 1 . 2]" 1 888 1 42 MET HB2 1 46 PHE H . . 5.500 5.165 4.899 5.478 . 0 0 "[ . 1 . 2]" 1 889 1 42 MET HB2 1 46 PHE QD . . 4.860 3.813 3.441 4.260 . 0 0 "[ . 1 . 2]" 1 890 1 42 MET HB2 1 48 VAL MG2 . . 4.450 4.333 4.058 4.457 0.007 20 0 "[ . 1 . 2]" 1 891 1 42 MET HB2 1 50 ILE MD . . 3.690 2.633 2.260 2.938 . 0 0 "[ . 1 . 2]" 1 892 1 42 MET HB2 1 50 ILE HG13 . . 5.290 4.527 4.162 4.837 . 0 0 "[ . 1 . 2]" 1 893 1 42 MET HB2 1 50 ILE MG . . 5.500 5.427 5.216 5.500 0.000 20 0 "[ . 1 . 2]" 1 894 1 42 MET HB2 1 74 ALA MB . . 5.020 4.940 4.623 5.025 0.005 13 0 "[ . 1 . 2]" 1 895 1 42 MET HB3 1 43 MET H . . 3.870 3.457 3.211 3.872 0.002 12 0 "[ . 1 . 2]" 1 896 1 42 MET HB3 1 46 PHE QD . . 4.270 2.248 2.018 2.703 . 0 0 "[ . 1 . 2]" 1 897 1 42 MET HB3 1 48 VAL MG2 . . 5.130 3.897 3.407 4.349 . 0 0 "[ . 1 . 2]" 1 898 1 42 MET HB3 1 50 ILE MD . . 4.190 3.150 2.801 3.546 . 0 0 "[ . 1 . 2]" 1 899 1 42 MET ME 1 42 MET HG2 . . 3.880 2.651 2.176 3.379 . 0 0 "[ . 1 . 2]" 1 900 1 42 MET ME 1 42 MET QG . . 3.320 2.360 2.148 2.603 . 0 0 "[ . 1 . 2]" 1 901 1 42 MET ME 1 42 MET HG3 . . 3.880 3.128 2.411 3.400 . 0 0 "[ . 1 . 2]" 1 902 1 42 MET ME 1 50 ILE MD . . 3.480 1.987 1.777 2.298 . 0 0 "[ . 1 . 2]" 1 903 1 42 MET ME 1 50 ILE HG12 . . 5.240 4.001 3.585 4.275 . 0 0 "[ . 1 . 2]" 1 904 1 42 MET ME 1 50 ILE HG13 . . 4.950 4.199 3.721 4.655 . 0 0 "[ . 1 . 2]" 1 905 1 42 MET ME 1 50 ILE MG . . 4.370 3.963 3.619 4.278 . 0 0 "[ . 1 . 2]" 1 906 1 42 MET ME 1 74 ALA HA . . 4.060 3.784 3.269 4.060 . 0 0 "[ . 1 . 2]" 1 907 1 42 MET ME 1 74 ALA MB . . 4.440 3.476 2.961 3.757 . 0 0 "[ . 1 . 2]" 1 908 1 42 MET ME 1 77 GLY HA2 . . 5.050 4.886 4.646 5.053 0.003 13 0 "[ . 1 . 2]" 1 909 1 42 MET ME 1 78 LEU H . . 4.380 3.121 2.733 3.453 . 0 0 "[ . 1 . 2]" 1 910 1 42 MET ME 1 78 LEU HA . . 3.170 2.930 2.571 3.169 . 0 0 "[ . 1 . 2]" 1 911 1 42 MET ME 1 78 LEU QB . . 4.540 2.544 2.130 2.862 . 0 0 "[ . 1 . 2]" 1 912 1 42 MET ME 1 78 LEU MD1 . . 3.020 2.068 1.789 2.497 . 0 0 "[ . 1 . 2]" 1 913 1 42 MET ME 1 78 LEU MD2 . . 3.690 3.518 3.049 3.691 0.001 5 0 "[ . 1 . 2]" 1 914 1 42 MET ME 1 78 LEU HG . . 4.770 4.334 4.004 4.511 . 0 0 "[ . 1 . 2]" 1 915 1 42 MET QG 1 43 MET H . . 4.480 3.920 3.604 4.046 . 0 0 "[ . 1 . 2]" 1 916 1 42 MET QG 1 46 PHE QD . . 4.900 3.633 2.875 4.222 . 0 0 "[ . 1 . 2]" 1 917 1 42 MET QG 1 46 PHE QE . . 3.840 2.892 2.452 3.375 . 0 0 "[ . 1 . 2]" 1 918 1 42 MET QG 1 50 ILE MD . . 4.550 3.857 3.591 4.120 . 0 0 "[ . 1 . 2]" 1 919 1 42 MET HG2 1 46 PHE QE . . 4.510 2.938 2.472 3.484 . 0 0 "[ . 1 . 2]" 1 920 1 42 MET HG3 1 46 PHE QE . . 4.510 4.395 4.071 4.519 0.009 20 0 "[ . 1 . 2]" 1 921 1 43 MET H 1 43 MET QB . . 3.400 2.445 2.236 2.681 . 0 0 "[ . 1 . 2]" 1 922 1 43 MET H 1 43 MET ME . . 4.320 3.794 3.500 3.990 . 0 0 "[ . 1 . 2]" 1 923 1 43 MET H 1 43 MET QG . . 3.420 2.305 2.040 2.678 . 0 0 "[ . 1 . 2]" 1 924 1 43 MET H 1 44 ASP H . . 3.560 2.802 2.595 2.992 . 0 0 "[ . 1 . 2]" 1 925 1 43 MET H 1 45 GLU H . . 4.740 4.157 3.914 4.432 . 0 0 "[ . 1 . 2]" 1 926 1 43 MET H 1 48 VAL MG2 . . 4.620 4.181 3.964 4.485 . 0 0 "[ . 1 . 2]" 1 927 1 43 MET H 1 50 ILE MD . . 4.170 3.638 2.973 4.057 . 0 0 "[ . 1 . 2]" 1 928 1 43 MET HA 1 43 MET QG . . 3.590 2.309 2.159 2.472 . 0 0 "[ . 1 . 2]" 1 929 1 43 MET HA 1 46 PHE HB2 . . 4.850 3.925 3.790 4.142 . 0 0 "[ . 1 . 2]" 1 930 1 43 MET HA 1 46 PHE HB3 . . 5.500 5.488 5.438 5.515 0.015 20 0 "[ . 1 . 2]" 1 931 1 43 MET HA 1 48 VAL H . . 3.840 2.402 2.114 2.807 . 0 0 "[ . 1 . 2]" 1 932 1 43 MET HA 1 48 VAL MG2 . . 3.640 2.387 2.161 2.584 . 0 0 "[ . 1 . 2]" 1 933 1 43 MET QB 1 43 MET ME . . 3.150 2.367 1.943 2.691 . 0 0 "[ . 1 . 2]" 1 934 1 43 MET QB 1 44 ASP H . . 3.770 2.750 2.430 2.932 . 0 0 "[ . 1 . 2]" 1 935 1 43 MET QB 1 44 ASP HB2 . . 5.190 4.316 4.196 4.453 . 0 0 "[ . 1 . 2]" 1 936 1 43 MET QB 1 44 ASP HB3 . . 5.500 5.414 5.322 5.479 . 0 0 "[ . 1 . 2]" 1 937 1 43 MET QB 1 48 VAL H . . 4.640 3.833 3.488 4.298 . 0 0 "[ . 1 . 2]" 1 938 1 43 MET ME 1 43 MET QG . . 3.430 2.254 2.083 2.491 . 0 0 "[ . 1 . 2]" 1 939 1 43 MET ME 1 44 ASP H . . 5.500 4.758 4.171 5.171 . 0 0 "[ . 1 . 2]" 1 940 1 43 MET ME 1 49 ASN HA . . 4.410 4.167 3.986 4.377 . 0 0 "[ . 1 . 2]" 1 941 1 43 MET ME 1 50 ILE H . . 4.250 3.691 3.229 3.890 . 0 0 "[ . 1 . 2]" 1 942 1 43 MET ME 1 50 ILE HB . . 4.230 3.968 3.468 4.226 . 0 0 "[ . 1 . 2]" 1 943 1 43 MET ME 1 50 ILE HG13 . . 5.500 4.947 4.468 5.192 . 0 0 "[ . 1 . 2]" 1 944 1 43 MET ME 1 50 ILE MG . . 5.500 4.878 4.440 5.142 . 0 0 "[ . 1 . 2]" 1 945 1 43 MET QG 1 48 VAL H . . 4.920 4.135 3.845 4.412 . 0 0 "[ . 1 . 2]" 1 946 1 43 MET QG 1 48 VAL MG2 . . 4.060 3.015 2.654 3.391 . 0 0 "[ . 1 . 2]" 1 947 1 43 MET QG 1 49 ASN HA . . 4.800 2.695 2.180 3.252 . 0 0 "[ . 1 . 2]" 1 948 1 43 MET QG 1 50 ILE H . . 4.200 2.458 2.061 2.900 . 0 0 "[ . 1 . 2]" 1 949 1 43 MET QG 1 50 ILE HB . . 4.300 3.168 2.970 3.334 . 0 0 "[ . 1 . 2]" 1 950 1 43 MET QG 1 50 ILE MD . . 3.600 2.872 2.359 3.300 . 0 0 "[ . 1 . 2]" 1 951 1 43 MET QG 1 50 ILE HG12 . . 4.980 4.228 3.928 4.468 . 0 0 "[ . 1 . 2]" 1 952 1 43 MET QG 1 50 ILE HG13 . . 4.450 2.666 2.356 2.917 . 0 0 "[ . 1 . 2]" 1 953 1 43 MET QG 1 50 ILE MG . . 4.530 4.365 4.228 4.531 0.001 18 0 "[ . 1 . 2]" 1 954 1 44 ASP H 1 44 ASP HB2 . . 3.470 2.218 2.182 2.269 . 0 0 "[ . 1 . 2]" 1 955 1 44 ASP H 1 44 ASP HB3 . . 3.570 3.505 3.485 3.550 . 0 0 "[ . 1 . 2]" 1 956 1 44 ASP H 1 45 GLU HA . . 5.240 5.029 4.903 5.230 . 0 0 "[ . 1 . 2]" 1 957 1 44 ASP HA 1 46 PHE H . . 5.460 5.039 4.703 5.282 . 0 0 "[ . 1 . 2]" 1 958 1 44 ASP HA 1 47 GLU H . . 4.560 3.670 3.413 3.912 . 0 0 "[ . 1 . 2]" 1 959 1 44 ASP HA 1 47 GLU HA . . 4.980 3.344 3.109 3.634 . 0 0 "[ . 1 . 2]" 1 960 1 44 ASP HA 1 47 GLU QB . . 5.500 5.136 4.946 5.322 . 0 0 "[ . 1 . 2]" 1 961 1 44 ASP HA 1 47 GLU QG . . 5.340 3.858 3.542 4.123 . 0 0 "[ . 1 . 2]" 1 962 1 44 ASP HA 1 48 VAL H . . 5.270 4.772 4.518 5.164 . 0 0 "[ . 1 . 2]" 1 963 1 44 ASP HB2 1 45 GLU H . . 3.730 2.943 2.686 3.184 . 0 0 "[ . 1 . 2]" 1 964 1 44 ASP HB2 1 45 GLU HA . . 4.890 4.740 4.590 4.859 . 0 0 "[ . 1 . 2]" 1 965 1 44 ASP HB3 1 45 GLU H . . 3.680 3.465 3.129 3.662 . 0 0 "[ . 1 . 2]" 1 966 1 44 ASP HB3 1 45 GLU HA . . 5.010 4.141 3.996 4.242 . 0 0 "[ . 1 . 2]" 1 967 1 45 GLU H 1 45 GLU HB2 . . 3.490 2.805 2.483 3.541 0.051 20 0 "[ . 1 . 2]" 1 968 1 45 GLU H 1 45 GLU QB . . 2.950 2.237 2.150 2.284 . 0 0 "[ . 1 . 2]" 1 969 1 45 GLU H 1 45 GLU HB3 . . 3.490 2.382 2.220 2.566 . 0 0 "[ . 1 . 2]" 1 970 1 45 GLU H 1 45 GLU HG2 . . 4.820 4.326 2.746 4.617 . 0 0 "[ . 1 . 2]" 1 971 1 45 GLU H 1 45 GLU HG3 . . 4.450 4.334 3.836 4.436 . 0 0 "[ . 1 . 2]" 1 972 1 45 GLU H 1 46 PHE H . . 3.440 2.700 2.577 2.927 . 0 0 "[ . 1 . 2]" 1 973 1 45 GLU H 1 47 GLU H . . 4.470 3.470 3.272 3.692 . 0 0 "[ . 1 . 2]" 1 974 1 45 GLU HA 1 45 GLU HG2 . . 4.000 3.799 3.659 3.875 . 0 0 "[ . 1 . 2]" 1 975 1 45 GLU HA 1 45 GLU HG3 . . 3.700 2.945 2.683 3.539 . 0 0 "[ . 1 . 2]" 1 976 1 45 GLU HA 1 47 GLU H . . 4.930 3.907 3.694 4.227 . 0 0 "[ . 1 . 2]" 1 977 1 45 GLU QB 1 46 PHE H . . 3.430 2.358 2.110 3.236 . 0 0 "[ . 1 . 2]" 1 978 1 45 GLU QB 1 46 PHE QD . . 4.610 3.518 3.122 4.203 . 0 0 "[ . 1 . 2]" 1 979 1 45 GLU QB 1 46 PHE QE . . 4.670 4.045 3.757 4.413 . 0 0 "[ . 1 . 2]" 1 980 1 45 GLU HB2 1 46 PHE H . . 3.950 3.741 3.612 3.941 . 0 0 "[ . 1 . 2]" 1 981 1 45 GLU HB2 1 46 PHE QD . . 5.470 5.045 4.766 5.330 . 0 0 "[ . 1 . 2]" 1 982 1 45 GLU HB2 1 46 PHE QE . . 5.470 5.343 4.939 5.469 . 0 0 "[ . 1 . 2]" 1 983 1 45 GLU HB3 1 46 PHE H . . 3.950 2.400 2.125 3.474 . 0 0 "[ . 1 . 2]" 1 984 1 45 GLU HB3 1 46 PHE QD . . 5.470 3.612 3.161 4.584 . 0 0 "[ . 1 . 2]" 1 985 1 45 GLU HB3 1 46 PHE QE . . 5.470 4.211 3.867 4.969 . 0 0 "[ . 1 . 2]" 1 986 1 45 GLU HG2 1 46 PHE H . . 4.680 3.511 1.902 4.142 . 0 0 "[ . 1 . 2]" 1 987 1 45 GLU HG2 1 46 PHE QD . . 4.410 3.803 2.169 4.342 . 0 0 "[ . 1 . 2]" 1 988 1 45 GLU HG2 1 46 PHE QE . . 4.520 3.716 3.126 4.079 . 0 0 "[ . 1 . 2]" 1 989 1 45 GLU HG3 1 46 PHE H . . 4.530 3.296 2.458 3.883 . 0 0 "[ . 1 . 2]" 1 990 1 45 GLU HG3 1 46 PHE QE . . 4.760 4.249 3.385 4.745 . 0 0 "[ . 1 . 2]" 1 991 1 46 PHE H 1 46 PHE HB2 . . 3.560 2.487 2.384 2.580 . 0 0 "[ . 1 . 2]" 1 992 1 46 PHE H 1 46 PHE HB3 . . 3.860 3.620 3.591 3.653 . 0 0 "[ . 1 . 2]" 1 993 1 46 PHE H 1 46 PHE QD . . 3.880 2.768 2.505 3.064 . 0 0 "[ . 1 . 2]" 1 994 1 46 PHE H 1 46 PHE QE . . 4.990 4.453 4.260 4.605 . 0 0 "[ . 1 . 2]" 1 995 1 46 PHE H 1 47 GLU QB . . 5.500 5.209 4.983 5.365 . 0 0 "[ . 1 . 2]" 1 996 1 46 PHE H 1 48 VAL H . . 4.730 4.006 3.627 4.334 . 0 0 "[ . 1 . 2]" 1 997 1 46 PHE H 1 48 VAL MG2 . . 4.600 3.680 3.471 4.194 . 0 0 "[ . 1 . 2]" 1 998 1 46 PHE HA 1 46 PHE QD . . 3.700 2.574 2.372 2.740 . 0 0 "[ . 1 . 2]" 1 999 1 46 PHE HA 1 73 ARG QB . . 4.610 4.330 3.810 4.607 . 0 0 "[ . 1 . 2]" 1 1000 1 46 PHE HB2 1 47 GLU H . . 4.710 3.530 3.228 3.792 . 0 0 "[ . 1 . 2]" 1 1001 1 46 PHE HB2 1 48 VAL H . . 4.790 3.320 2.859 3.641 . 0 0 "[ . 1 . 2]" 1 1002 1 46 PHE HB2 1 48 VAL MG1 . . 4.210 3.049 2.236 3.793 . 0 0 "[ . 1 . 2]" 1 1003 1 46 PHE HB2 1 48 VAL MG2 . . 3.830 2.033 1.921 2.391 . 0 0 "[ . 1 . 2]" 1 1004 1 46 PHE HB2 1 74 ALA MB . . 4.040 2.692 2.464 2.963 . 0 0 "[ . 1 . 2]" 1 1005 1 46 PHE HB3 1 47 GLU H . . 4.800 4.278 4.122 4.443 . 0 0 "[ . 1 . 2]" 1 1006 1 46 PHE HB3 1 48 VAL H . . 5.110 4.297 3.819 4.634 . 0 0 "[ . 1 . 2]" 1 1007 1 46 PHE HB3 1 48 VAL MG1 . . 4.090 2.617 2.095 3.224 . 0 0 "[ . 1 . 2]" 1 1008 1 46 PHE HB3 1 48 VAL MG2 . . 4.020 2.802 2.354 3.219 . 0 0 "[ . 1 . 2]" 1 1009 1 46 PHE HB3 1 70 ASN HB2 . . 4.970 4.791 4.376 4.971 0.001 1 0 "[ . 1 . 2]" 1 1010 1 46 PHE HB3 1 74 ALA H . . 5.040 3.489 3.224 3.699 . 0 0 "[ . 1 . 2]" 1 1011 1 46 PHE HB3 1 74 ALA MB . . 3.800 2.556 1.994 3.040 . 0 0 "[ . 1 . 2]" 1 1012 1 46 PHE QD 1 48 VAL MG1 . . 4.990 4.278 3.845 4.709 . 0 0 "[ . 1 . 2]" 1 1013 1 46 PHE QD 1 48 VAL MG2 . . 4.550 3.271 2.965 3.624 . 0 0 "[ . 1 . 2]" 1 1014 1 46 PHE QD 1 50 ILE MD . . 4.940 4.395 4.025 4.811 . 0 0 "[ . 1 . 2]" 1 1015 1 46 PHE QD 1 73 ARG QB . . 4.230 2.131 1.966 2.634 . 0 0 "[ . 1 . 2]" 1 1016 1 46 PHE QD 1 73 ARG QD . . 4.180 2.657 1.962 3.779 . 0 0 "[ . 1 . 2]" 1 1017 1 46 PHE QD 1 73 ARG HG2 . . 4.860 4.236 3.501 4.859 . 0 0 "[ . 1 . 2]" 1 1018 1 46 PHE QD 1 73 ARG QG . . 4.280 3.004 2.026 3.701 . 0 0 "[ . 1 . 2]" 1 1019 1 46 PHE QD 1 73 ARG HG3 . . 4.860 3.097 2.039 3.856 . 0 0 "[ . 1 . 2]" 1 1020 1 46 PHE QD 1 74 ALA H . . 4.740 3.570 3.154 4.116 . 0 0 "[ . 1 . 2]" 1 1021 1 46 PHE QD 1 74 ALA HA . . 4.360 2.957 2.673 3.243 . 0 0 "[ . 1 . 2]" 1 1022 1 46 PHE QD 1 74 ALA MB . . 4.040 2.855 2.415 3.266 . 0 0 "[ . 1 . 2]" 1 1023 1 46 PHE QE 1 73 ARG HA . . 5.080 3.855 3.463 4.286 . 0 0 "[ . 1 . 2]" 1 1024 1 46 PHE QE 1 73 ARG QB . . 4.210 2.215 1.970 2.633 . 0 0 "[ . 1 . 2]" 1 1025 1 46 PHE QE 1 73 ARG QD . . 4.020 3.579 3.168 3.974 . 0 0 "[ . 1 . 2]" 1 1026 1 46 PHE QE 1 73 ARG HG2 . . 5.170 4.902 4.638 5.163 . 0 0 "[ . 1 . 2]" 1 1027 1 46 PHE QE 1 73 ARG QG . . 4.450 4.056 3.643 4.442 . 0 0 "[ . 1 . 2]" 1 1028 1 46 PHE QE 1 73 ARG HG3 . . 5.170 4.397 3.763 5.024 . 0 0 "[ . 1 . 2]" 1 1029 1 46 PHE QE 1 74 ALA HA . . 4.430 3.085 2.652 3.450 . 0 0 "[ . 1 . 2]" 1 1030 1 46 PHE QE 1 74 ALA MB . . 5.060 3.968 3.623 4.289 . 0 0 "[ . 1 . 2]" 1 1031 1 46 PHE QE 1 77 GLY H . . 4.550 4.307 4.076 4.547 . 0 0 "[ . 1 . 2]" 1 1032 1 46 PHE QE 1 77 GLY HA2 . . 5.010 4.785 4.276 4.993 . 0 0 "[ . 1 . 2]" 1 1033 1 46 PHE QE 1 77 GLY HA3 . . 4.270 3.428 2.896 3.715 . 0 0 "[ . 1 . 2]" 1 1034 1 47 GLU H 1 47 GLU QB . . 3.800 3.259 3.113 3.390 . 0 0 "[ . 1 . 2]" 1 1035 1 47 GLU H 1 47 GLU HG2 . . 3.970 3.422 2.547 3.826 . 0 0 "[ . 1 . 2]" 1 1036 1 47 GLU H 1 47 GLU QG . . 3.420 2.739 2.516 3.036 . 0 0 "[ . 1 . 2]" 1 1037 1 47 GLU H 1 47 GLU HG3 . . 3.970 2.978 2.556 3.988 0.018 2 0 "[ . 1 . 2]" 1 1038 1 47 GLU H 1 48 VAL H . . 3.480 2.840 2.627 3.113 . 0 0 "[ . 1 . 2]" 1 1039 1 47 GLU H 1 48 VAL MG2 . . 4.790 3.754 3.327 4.262 . 0 0 "[ . 1 . 2]" 1 1040 1 47 GLU HA 1 47 GLU HG2 . . 3.700 2.494 2.257 2.843 . 0 0 "[ . 1 . 2]" 1 1041 1 47 GLU HA 1 47 GLU QG . . 2.910 2.378 2.211 2.546 . 0 0 "[ . 1 . 2]" 1 1042 1 47 GLU HA 1 47 GLU HG3 . . 3.700 3.103 2.733 3.718 0.018 2 0 "[ . 1 . 2]" 1 1043 1 47 GLU HA 1 48 VAL H . . 3.150 2.745 2.629 2.954 . 0 0 "[ . 1 . 2]" 1 1044 1 47 GLU QB 1 48 VAL H . . 4.000 3.864 3.755 3.903 . 0 0 "[ . 1 . 2]" 1 1045 1 47 GLU QB 1 70 ASN HD21 . . 4.110 3.707 3.159 3.994 . 0 0 "[ . 1 . 2]" 1 1046 1 47 GLU QB 1 70 ASN QD . . 3.520 3.330 2.966 3.520 0.000 2 0 "[ . 1 . 2]" 1 1047 1 47 GLU QB 1 70 ASN HD22 . . 4.110 3.791 3.435 3.995 . 0 0 "[ . 1 . 2]" 1 1048 1 47 GLU QG 1 48 VAL H . . 5.180 4.533 4.498 4.611 . 0 0 "[ . 1 . 2]" 1 1049 1 48 VAL H 1 48 VAL MG1 . . 3.910 3.071 2.694 3.422 . 0 0 "[ . 1 . 2]" 1 1050 1 48 VAL H 1 48 VAL MG2 . . 3.400 2.025 1.876 2.310 . 0 0 "[ . 1 . 2]" 1 1051 1 48 VAL H 1 49 ASN H . . 4.660 4.419 4.389 4.466 . 0 0 "[ . 1 . 2]" 1 1052 1 48 VAL HA 1 48 VAL MG1 . . 3.400 2.228 2.015 2.406 . 0 0 "[ . 1 . 2]" 1 1053 1 48 VAL HA 1 49 ASN H . . 3.050 2.597 2.540 2.650 . 0 0 "[ . 1 . 2]" 1 1054 1 48 VAL HA 1 49 ASN QB . . 4.480 4.293 3.967 4.480 . 0 0 "[ . 1 . 2]" 1 1055 1 48 VAL HA 1 66 GLY HA2 . . 4.750 4.033 3.825 4.181 . 0 0 "[ . 1 . 2]" 1 1056 1 48 VAL HA 1 66 GLY HA3 . . 4.750 3.674 3.465 3.933 . 0 0 "[ . 1 . 2]" 1 1057 1 48 VAL HA 1 67 LEU H . . 5.440 5.067 4.882 5.278 . 0 0 "[ . 1 . 2]" 1 1058 1 48 VAL HB 1 49 ASN H . . 3.210 2.004 1.900 2.151 . 0 0 "[ . 1 . 2]" 1 1059 1 48 VAL HB 1 49 ASN QB . . 4.620 4.387 4.237 4.514 . 0 0 "[ . 1 . 2]" 1 1060 1 48 VAL HB 1 50 ILE HG13 . . 5.350 4.349 3.914 5.018 . 0 0 "[ . 1 . 2]" 1 1061 1 48 VAL HB 1 64 ILE MG . . 3.410 2.748 2.580 2.938 . 0 0 "[ . 1 . 2]" 1 1062 1 48 VAL HB 1 65 THR H . . 4.450 4.204 3.744 4.433 . 0 0 "[ . 1 . 2]" 1 1063 1 48 VAL HB 1 66 GLY QA . . 4.420 3.304 2.890 3.711 . 0 0 "[ . 1 . 2]" 1 1064 1 48 VAL HB 1 71 LEU HA . . 5.150 4.800 4.536 5.107 . 0 0 "[ . 1 . 2]" 1 1065 1 48 VAL HB 1 71 LEU MD2 . . 4.110 3.692 3.426 4.001 . 0 0 "[ . 1 . 2]" 1 1066 1 48 VAL HB 1 74 ALA MB . . 4.660 3.767 3.533 3.979 . 0 0 "[ . 1 . 2]" 1 1067 1 48 VAL MG1 1 49 ASN H . . 3.800 3.427 3.057 3.713 . 0 0 "[ . 1 . 2]" 1 1068 1 48 VAL MG1 1 66 GLY HA2 . . 3.760 3.486 2.932 3.748 . 0 0 "[ . 1 . 2]" 1 1069 1 48 VAL MG1 1 66 GLY QA . . 3.290 2.229 1.942 2.578 . 0 0 "[ . 1 . 2]" 1 1070 1 48 VAL MG1 1 66 GLY HA3 . . 3.760 2.257 1.966 2.629 . 0 0 "[ . 1 . 2]" 1 1071 1 48 VAL MG1 1 70 ASN HA . . 4.580 3.683 3.389 4.027 . 0 0 "[ . 1 . 2]" 1 1072 1 48 VAL MG1 1 70 ASN HB2 . . 3.760 2.264 1.969 2.559 . 0 0 "[ . 1 . 2]" 1 1073 1 48 VAL MG1 1 70 ASN HB3 . . 3.670 1.941 1.843 2.086 . 0 0 "[ . 1 . 2]" 1 1074 1 48 VAL MG1 1 70 ASN HD21 . . 4.500 2.574 2.332 2.937 . 0 0 "[ . 1 . 2]" 1 1075 1 48 VAL MG1 1 70 ASN QD . . 3.920 2.542 2.311 2.888 . 0 0 "[ . 1 . 2]" 1 1076 1 48 VAL MG1 1 70 ASN HD22 . . 4.500 3.962 3.772 4.259 . 0 0 "[ . 1 . 2]" 1 1077 1 48 VAL MG1 1 71 LEU H . . 4.670 3.586 3.433 3.768 . 0 0 "[ . 1 . 2]" 1 1078 1 48 VAL MG1 1 71 LEU HA . . 3.800 3.286 2.989 3.648 . 0 0 "[ . 1 . 2]" 1 1079 1 48 VAL MG1 1 74 ALA H . . 4.330 4.056 3.750 4.328 . 0 0 "[ . 1 . 2]" 1 1080 1 48 VAL MG1 1 74 ALA MB . . 3.020 2.579 2.159 2.909 . 0 0 "[ . 1 . 2]" 1 1081 1 48 VAL MG2 1 49 ASN H . . 3.610 3.164 2.771 3.558 . 0 0 "[ . 1 . 2]" 1 1082 1 48 VAL MG2 1 50 ILE HG13 . . 3.620 2.845 2.517 3.336 . 0 0 "[ . 1 . 2]" 1 1083 1 48 VAL MG2 1 70 ASN HB3 . . 4.990 3.861 3.496 4.210 . 0 0 "[ . 1 . 2]" 1 1084 1 48 VAL MG2 1 74 ALA HA . . 4.980 3.947 3.609 4.113 . 0 0 "[ . 1 . 2]" 1 1085 1 48 VAL MG2 1 74 ALA MB . . 3.040 1.941 1.761 2.103 . 0 0 "[ . 1 . 2]" 1 1086 1 49 ASN H 1 49 ASN QB . . 3.220 2.557 2.426 2.684 . 0 0 "[ . 1 . 2]" 1 1087 1 49 ASN H 1 50 ILE H . . 4.810 4.203 4.101 4.325 . 0 0 "[ . 1 . 2]" 1 1088 1 49 ASN H 1 50 ILE HA . . 4.920 4.753 4.664 4.850 . 0 0 "[ . 1 . 2]" 1 1089 1 49 ASN H 1 50 ILE HG13 . . 5.010 4.449 4.260 4.819 . 0 0 "[ . 1 . 2]" 1 1090 1 49 ASN H 1 64 ILE MG . . 4.310 3.252 3.050 3.408 . 0 0 "[ . 1 . 2]" 1 1091 1 49 ASN H 1 65 THR H . . 3.870 3.308 2.872 3.489 . 0 0 "[ . 1 . 2]" 1 1092 1 49 ASN H 1 65 THR HB . . 4.260 3.532 3.117 3.800 . 0 0 "[ . 1 . 2]" 1 1093 1 49 ASN H 1 65 THR MG . . 4.660 4.424 4.242 4.617 . 0 0 "[ . 1 . 2]" 1 1094 1 49 ASN H 1 66 GLY HA2 . . 4.670 4.512 4.395 4.667 . 0 0 "[ . 1 . 2]" 1 1095 1 49 ASN H 1 66 GLY QA . . 4.060 3.754 3.582 3.913 . 0 0 "[ . 1 . 2]" 1 1096 1 49 ASN H 1 66 GLY HA3 . . 4.670 4.017 3.781 4.201 . 0 0 "[ . 1 . 2]" 1 1097 1 49 ASN HA 1 49 ASN QD . . 4.540 3.367 2.207 4.130 . 0 0 "[ . 1 . 2]" 1 1098 1 49 ASN HA 1 49 ASN HD22 . . 5.240 4.209 3.518 4.804 . 0 0 "[ . 1 . 2]" 1 1099 1 49 ASN HA 1 50 ILE H . . 3.120 2.142 2.140 2.148 . 0 0 "[ . 1 . 2]" 1 1100 1 49 ASN HA 1 50 ILE HB . . 4.670 4.599 4.540 4.670 0.000 15 0 "[ . 1 . 2]" 1 1101 1 49 ASN HA 1 50 ILE HG13 . . 4.990 3.877 3.758 4.090 . 0 0 "[ . 1 . 2]" 1 1102 1 49 ASN HA 1 65 THR H . . 4.910 4.815 4.657 4.913 0.003 16 0 "[ . 1 . 2]" 1 1103 1 49 ASN QB 1 50 ILE H . . 3.980 3.448 3.256 3.849 . 0 0 "[ . 1 . 2]" 1 1104 1 49 ASN QB 1 50 ILE HA . . 5.230 4.395 4.238 4.845 . 0 0 "[ . 1 . 2]" 1 1105 1 49 ASN QB 1 64 ILE MG . . 4.660 4.420 4.111 4.591 . 0 0 "[ . 1 . 2]" 1 1106 1 49 ASN QB 1 65 THR H . . 4.070 3.310 2.964 3.544 . 0 0 "[ . 1 . 2]" 1 1107 1 49 ASN QB 1 65 THR HB . . 3.290 2.226 2.070 2.489 . 0 0 "[ . 1 . 2]" 1 1108 1 49 ASN QB 1 65 THR MG . . 3.900 3.470 3.338 3.601 . 0 0 "[ . 1 . 2]" 1 1109 1 50 ILE H 1 50 ILE HB . . 3.730 2.521 2.429 2.582 . 0 0 "[ . 1 . 2]" 1 1110 1 50 ILE H 1 50 ILE MD . . 4.230 3.801 3.565 3.954 . 0 0 "[ . 1 . 2]" 1 1111 1 50 ILE H 1 50 ILE HG12 . . 4.500 3.874 3.701 4.003 . 0 0 "[ . 1 . 2]" 1 1112 1 50 ILE H 1 50 ILE HG13 . . 4.000 2.639 2.390 2.786 . 0 0 "[ . 1 . 2]" 1 1113 1 50 ILE H 1 50 ILE MG . . 3.920 3.796 3.750 3.824 . 0 0 "[ . 1 . 2]" 1 1114 1 50 ILE H 1 51 HIS H . . 4.910 4.477 4.415 4.604 . 0 0 "[ . 1 . 2]" 1 1115 1 50 ILE HA 1 50 ILE MD . . 4.350 3.840 3.789 3.878 . 0 0 "[ . 1 . 2]" 1 1116 1 50 ILE HA 1 50 ILE MG . . 3.420 2.390 2.342 2.460 . 0 0 "[ . 1 . 2]" 1 1117 1 50 ILE HA 1 51 HIS H . . 3.070 2.172 2.156 2.263 . 0 0 "[ . 1 . 2]" 1 1118 1 50 ILE HA 1 51 HIS HB2 . . 4.980 4.245 4.204 4.389 . 0 0 "[ . 1 . 2]" 1 1119 1 50 ILE HA 1 62 ILE MG . . 4.630 3.815 3.621 3.975 . 0 0 "[ . 1 . 2]" 1 1120 1 50 ILE HA 1 64 ILE HG12 . . 4.960 2.889 2.633 3.132 . 0 0 "[ . 1 . 2]" 1 1121 1 50 ILE HA 1 64 ILE MG . . 4.250 2.938 2.566 3.367 . 0 0 "[ . 1 . 2]" 1 1122 1 50 ILE HA 1 65 THR H . . 4.100 3.424 3.230 3.569 . 0 0 "[ . 1 . 2]" 1 1123 1 50 ILE HB 1 50 ILE MD . . 3.340 2.345 2.259 2.408 . 0 0 "[ . 1 . 2]" 1 1124 1 50 ILE HB 1 51 HIS H . . 4.170 4.125 3.898 4.170 . 0 0 "[ . 1 . 2]" 1 1125 1 50 ILE MD 1 51 HIS H . . 5.120 5.027 4.769 5.119 . 0 0 "[ . 1 . 2]" 1 1126 1 50 ILE MD 1 74 ALA MB . . 4.220 3.553 2.877 4.211 . 0 0 "[ . 1 . 2]" 1 1127 1 50 ILE HG12 1 51 HIS H . . 4.570 4.288 4.093 4.427 . 0 0 "[ . 1 . 2]" 1 1128 1 50 ILE HG12 1 64 ILE HA . . 4.990 3.643 3.438 3.965 . 0 0 "[ . 1 . 2]" 1 1129 1 50 ILE HG12 1 64 ILE MD . . 4.110 2.731 2.525 2.895 . 0 0 "[ . 1 . 2]" 1 1130 1 50 ILE HG12 1 64 ILE MG . . 3.230 2.303 1.949 2.696 . 0 0 "[ . 1 . 2]" 1 1131 1 50 ILE HG12 1 65 THR H . . 5.270 4.901 4.569 5.210 . 0 0 "[ . 1 . 2]" 1 1132 1 50 ILE HG13 1 51 HIS H . . 5.220 4.942 4.801 5.070 . 0 0 "[ . 1 . 2]" 1 1133 1 50 ILE HG13 1 64 ILE MD . . 4.180 4.056 3.893 4.181 0.001 2 0 "[ . 1 . 2]" 1 1134 1 50 ILE HG13 1 64 ILE MG . . 3.280 2.922 2.615 3.198 . 0 0 "[ . 1 . 2]" 1 1135 1 50 ILE HG13 1 65 THR H . . 5.190 5.049 4.867 5.183 . 0 0 "[ . 1 . 2]" 1 1136 1 50 ILE HG13 1 74 ALA MB . . 4.970 4.368 3.840 4.730 . 0 0 "[ . 1 . 2]" 1 1137 1 50 ILE MG 1 51 HIS H . . 3.380 2.354 1.919 2.610 . 0 0 "[ . 1 . 2]" 1 1138 1 50 ILE MG 1 51 HIS HA . . 4.620 3.556 3.365 3.679 . 0 0 "[ . 1 . 2]" 1 1139 1 50 ILE MG 1 51 HIS HB3 . . 5.500 4.993 4.251 5.109 . 0 0 "[ . 1 . 2]" 1 1140 1 50 ILE MG 1 52 VAL H . . 5.090 4.008 3.565 4.418 . 0 0 "[ . 1 . 2]" 1 1141 1 50 ILE MG 1 62 ILE MD . . 4.240 3.159 2.908 3.395 . 0 0 "[ . 1 . 2]" 1 1142 1 50 ILE MG 1 63 ALA H . . 5.210 4.234 3.925 4.434 . 0 0 "[ . 1 . 2]" 1 1143 1 50 ILE MG 1 64 ILE HA . . 4.560 3.715 3.409 3.875 . 0 0 "[ . 1 . 2]" 1 1144 1 51 HIS H 1 51 HIS HB2 . . 3.650 2.501 2.396 3.169 . 0 0 "[ . 1 . 2]" 1 1145 1 51 HIS H 1 51 HIS HB3 . . 3.660 3.562 2.723 3.648 . 0 0 "[ . 1 . 2]" 1 1146 1 51 HIS H 1 51 HIS HD2 . . 4.750 3.880 3.495 4.772 0.022 12 0 "[ . 1 . 2]" 1 1147 1 51 HIS H 1 52 VAL H . . 4.750 4.310 4.085 4.438 . 0 0 "[ . 1 . 2]" 1 1148 1 51 HIS H 1 52 VAL MG2 . . 4.980 4.234 3.842 4.353 . 0 0 "[ . 1 . 2]" 1 1149 1 51 HIS H 1 62 ILE MG . . 4.000 2.965 2.440 3.164 . 0 0 "[ . 1 . 2]" 1 1150 1 51 HIS H 1 63 ALA H . . 4.130 3.660 3.214 3.941 . 0 0 "[ . 1 . 2]" 1 1151 1 51 HIS H 1 63 ALA MB . . 3.860 3.758 3.606 3.854 . 0 0 "[ . 1 . 2]" 1 1152 1 51 HIS H 1 64 ILE H . . 5.350 4.848 4.650 4.948 . 0 0 "[ . 1 . 2]" 1 1153 1 51 HIS H 1 64 ILE HA . . 4.130 3.119 2.763 3.295 . 0 0 "[ . 1 . 2]" 1 1154 1 51 HIS H 1 64 ILE HG12 . . 4.110 3.798 3.492 3.982 . 0 0 "[ . 1 . 2]" 1 1155 1 51 HIS H 1 64 ILE HG13 . . 5.500 4.516 4.228 4.878 . 0 0 "[ . 1 . 2]" 1 1156 1 51 HIS H 1 65 THR H . . 4.890 4.450 4.147 4.797 . 0 0 "[ . 1 . 2]" 1 1157 1 51 HIS HA 1 51 HIS HD2 . . 4.170 3.040 2.100 4.121 . 0 0 "[ . 1 . 2]" 1 1158 1 51 HIS HA 1 52 VAL H . . 2.900 2.155 2.141 2.221 . 0 0 "[ . 1 . 2]" 1 1159 1 51 HIS HA 1 52 VAL HA . . 4.730 4.391 4.385 4.416 . 0 0 "[ . 1 . 2]" 1 1160 1 51 HIS HA 1 52 VAL MG2 . . 3.910 3.638 3.490 3.785 . 0 0 "[ . 1 . 2]" 1 1161 1 51 HIS HB2 1 52 VAL H . . 4.600 4.401 4.220 4.554 . 0 0 "[ . 1 . 2]" 1 1162 1 51 HIS HB2 1 52 VAL MG2 . . 5.500 5.395 5.200 5.500 . 0 0 "[ . 1 . 2]" 1 1163 1 51 HIS HB2 1 63 ALA H . . 4.390 3.951 3.762 4.409 0.019 12 0 "[ . 1 . 2]" 1 1164 1 51 HIS HB2 1 63 ALA MB . . 3.550 2.790 2.474 3.176 . 0 0 "[ . 1 . 2]" 1 1165 1 51 HIS HB3 1 52 VAL H . . 4.350 3.449 3.041 4.364 0.014 12 0 "[ . 1 . 2]" 1 1166 1 51 HIS HB3 1 52 VAL MG2 . . 5.500 5.049 4.788 5.253 . 0 0 "[ . 1 . 2]" 1 1167 1 51 HIS HB3 1 63 ALA H . . 4.340 4.203 2.731 4.338 . 0 0 "[ . 1 . 2]" 1 1168 1 51 HIS HB3 1 63 ALA MB . . 3.670 3.391 1.963 3.625 . 0 0 "[ . 1 . 2]" 1 1169 1 52 VAL H 1 52 VAL HB . . 3.270 2.552 2.488 2.649 . 0 0 "[ . 1 . 2]" 1 1170 1 52 VAL H 1 52 VAL MG1 . . 4.120 3.810 3.781 3.845 . 0 0 "[ . 1 . 2]" 1 1171 1 52 VAL H 1 52 VAL MG2 . . 3.440 2.604 2.404 2.795 . 0 0 "[ . 1 . 2]" 1 1172 1 52 VAL H 1 53 PRO HD2 . . 5.290 4.840 4.829 4.843 . 0 0 "[ . 1 . 2]" 1 1173 1 52 VAL H 1 53 PRO HD3 . . 5.200 4.862 4.761 4.915 . 0 0 "[ . 1 . 2]" 1 1174 1 52 VAL HA 1 52 VAL MG1 . . 3.370 2.461 2.401 2.476 . 0 0 "[ . 1 . 2]" 1 1175 1 52 VAL HA 1 52 VAL MG2 . . 3.480 2.396 2.317 2.487 . 0 0 "[ . 1 . 2]" 1 1176 1 52 VAL HA 1 53 PRO QB . . 5.230 4.536 4.534 4.537 . 0 0 "[ . 1 . 2]" 1 1177 1 52 VAL HA 1 53 PRO HD2 . . 3.550 2.167 2.078 2.182 . 0 0 "[ . 1 . 2]" 1 1178 1 52 VAL HA 1 53 PRO HD3 . . 3.570 2.254 2.251 2.266 . 0 0 "[ . 1 . 2]" 1 1179 1 52 VAL HA 1 53 PRO HG2 . . 5.500 4.325 4.255 4.338 . 0 0 "[ . 1 . 2]" 1 1180 1 52 VAL HA 1 53 PRO HG3 . . 5.130 4.355 4.326 4.361 . 0 0 "[ . 1 . 2]" 1 1181 1 52 VAL HA 1 62 ILE MD . . 4.230 3.832 3.589 4.009 . 0 0 "[ . 1 . 2]" 1 1182 1 52 VAL HA 1 62 ILE HG12 . . 4.050 2.535 2.210 2.682 . 0 0 "[ . 1 . 2]" 1 1183 1 52 VAL HA 1 62 ILE HG13 . . 4.460 4.103 3.586 4.293 . 0 0 "[ . 1 . 2]" 1 1184 1 52 VAL HA 1 62 ILE MG . . 3.880 3.195 2.954 3.383 . 0 0 "[ . 1 . 2]" 1 1185 1 52 VAL HA 1 63 ALA H . . 4.130 3.755 3.549 3.951 . 0 0 "[ . 1 . 2]" 1 1186 1 52 VAL HB 1 53 PRO HD2 . . 4.280 3.955 3.917 4.153 . 0 0 "[ . 1 . 2]" 1 1187 1 52 VAL HB 1 53 PRO HD3 . . 5.220 4.888 4.863 4.992 . 0 0 "[ . 1 . 2]" 1 1188 1 52 VAL MG1 1 53 PRO HD2 . . 3.330 1.833 1.813 1.950 . 0 0 "[ . 1 . 2]" 1 1189 1 52 VAL MG1 1 53 PRO HD3 . . 3.610 3.165 3.140 3.290 . 0 0 "[ . 1 . 2]" 1 1190 1 52 VAL MG1 1 53 PRO HG2 . . 4.960 2.953 2.917 3.081 . 0 0 "[ . 1 . 2]" 1 1191 1 52 VAL MG1 1 53 PRO HG3 . . 4.880 3.910 3.878 4.088 . 0 0 "[ . 1 . 2]" 1 1192 1 52 VAL MG1 1 62 ILE HG13 . . 4.470 3.681 3.264 4.228 . 0 0 "[ . 1 . 2]" 1 1193 1 52 VAL MG1 1 62 ILE MG . . 4.460 4.110 3.923 4.303 . 0 0 "[ . 1 . 2]" 1 1194 1 52 VAL MG2 1 53 PRO HD2 . . 4.600 3.331 3.270 3.507 . 0 0 "[ . 1 . 2]" 1 1195 1 52 VAL MG2 1 62 ILE MD . . 3.250 2.153 1.940 2.427 . 0 0 "[ . 1 . 2]" 1 1196 1 52 VAL MG2 1 62 ILE HG13 . . 4.020 3.776 3.550 3.994 . 0 0 "[ . 1 . 2]" 1 1197 1 52 VAL MG2 1 62 ILE MG . . 3.150 2.736 2.404 2.914 . 0 0 "[ . 1 . 2]" 1 1198 1 53 PRO HA 1 54 ALA H . . 2.860 2.177 2.159 2.246 . 0 0 "[ . 1 . 2]" 1 1199 1 53 PRO HA 1 54 ALA MB . . 4.080 3.960 3.930 3.995 . 0 0 "[ . 1 . 2]" 1 1200 1 53 PRO HA 1 57 LEU MD1 . . 4.310 2.768 2.397 3.165 . 0 0 "[ . 1 . 2]" 1 1201 1 53 PRO QB 1 54 ALA H . . 3.410 3.175 2.922 3.262 . 0 0 "[ . 1 . 2]" 1 1202 1 53 PRO QB 1 54 ALA MB . . 5.150 4.321 4.178 4.412 . 0 0 "[ . 1 . 2]" 1 1203 1 53 PRO QB 1 57 LEU HB2 . . 4.390 2.698 2.523 2.925 . 0 0 "[ . 1 . 2]" 1 1204 1 53 PRO QB 1 57 LEU MD1 . . 3.370 2.488 2.191 2.735 . 0 0 "[ . 1 . 2]" 1 1205 1 53 PRO QB 1 59 SER QB . . 3.510 2.230 1.965 2.511 . 0 0 "[ . 1 . 2]" 1 1206 1 53 PRO HB2 1 54 ALA H . . 3.960 3.367 3.061 3.473 . 0 0 "[ . 1 . 2]" 1 1207 1 53 PRO HB2 1 57 LEU HB3 . . 4.890 3.742 3.466 4.122 . 0 0 "[ . 1 . 2]" 1 1208 1 53 PRO HB2 1 57 LEU MD1 . . 3.850 2.707 2.305 3.041 . 0 0 "[ . 1 . 2]" 1 1209 1 53 PRO HB2 1 59 SER HB2 . . 4.790 3.144 2.864 3.399 . 0 0 "[ . 1 . 2]" 1 1210 1 53 PRO HB2 1 59 SER HB3 . . 4.790 2.504 2.113 2.865 . 0 0 "[ . 1 . 2]" 1 1211 1 53 PRO HB3 1 54 ALA H . . 3.960 3.892 3.701 3.961 0.001 9 0 "[ . 1 . 2]" 1 1212 1 53 PRO HB3 1 57 LEU HB3 . . 4.890 4.441 4.101 4.844 . 0 0 "[ . 1 . 2]" 1 1213 1 53 PRO HB3 1 57 LEU MD1 . . 3.850 2.920 2.650 3.226 . 0 0 "[ . 1 . 2]" 1 1214 1 53 PRO HB3 1 59 SER HB2 . . 4.790 3.579 3.290 3.900 . 0 0 "[ . 1 . 2]" 1 1215 1 53 PRO HB3 1 59 SER HB3 . . 4.790 2.724 2.332 3.128 . 0 0 "[ . 1 . 2]" 1 1216 1 53 PRO HD2 1 62 ILE H . . 5.500 5.419 5.250 5.501 0.001 14 0 "[ . 1 . 2]" 1 1217 1 53 PRO HD2 1 62 ILE HA . . 3.990 3.465 3.326 3.543 . 0 0 "[ . 1 . 2]" 1 1218 1 53 PRO HD2 1 62 ILE MD . . 4.620 3.940 3.744 4.079 . 0 0 "[ . 1 . 2]" 1 1219 1 53 PRO HD2 1 62 ILE HG12 . . 4.400 2.704 2.514 2.817 . 0 0 "[ . 1 . 2]" 1 1220 1 53 PRO HD2 1 62 ILE HG13 . . 4.870 3.480 3.159 3.675 . 0 0 "[ . 1 . 2]" 1 1221 1 53 PRO HD2 1 62 ILE MG . . 4.630 4.303 4.141 4.466 . 0 0 "[ . 1 . 2]" 1 1222 1 53 PRO HD2 1 63 ALA H . . 5.020 4.910 4.609 5.042 0.022 12 0 "[ . 1 . 2]" 1 1223 1 53 PRO HD3 1 62 ILE HA . . 4.140 2.485 2.364 2.630 . 0 0 "[ . 1 . 2]" 1 1224 1 53 PRO HD3 1 62 ILE MD . . 4.750 4.631 4.457 4.751 0.001 11 0 "[ . 1 . 2]" 1 1225 1 53 PRO HD3 1 62 ILE HG12 . . 4.290 3.135 2.918 3.276 . 0 0 "[ . 1 . 2]" 1 1226 1 53 PRO HD3 1 62 ILE HG13 . . 5.140 3.873 3.593 4.083 . 0 0 "[ . 1 . 2]" 1 1227 1 53 PRO HD3 1 62 ILE MG . . 4.780 3.946 3.745 4.165 . 0 0 "[ . 1 . 2]" 1 1228 1 53 PRO HD3 1 63 ALA H . . 4.950 3.600 3.242 3.808 . 0 0 "[ . 1 . 2]" 1 1229 1 53 PRO HG2 1 57 LEU MD1 . . 4.980 4.720 4.325 4.959 . 0 0 "[ . 1 . 2]" 1 1230 1 53 PRO HG2 1 59 SER H . . 4.330 3.694 3.422 3.910 . 0 0 "[ . 1 . 2]" 1 1231 1 53 PRO HG2 1 59 SER HB2 . . 4.880 4.386 4.193 4.606 . 0 0 "[ . 1 . 2]" 1 1232 1 53 PRO HG2 1 59 SER QB . . 4.260 2.894 2.646 3.084 . 0 0 "[ . 1 . 2]" 1 1233 1 53 PRO HG2 1 59 SER HB3 . . 4.880 2.936 2.671 3.137 . 0 0 "[ . 1 . 2]" 1 1234 1 53 PRO HG3 1 57 LEU MD1 . . 5.140 4.746 4.485 5.046 . 0 0 "[ . 1 . 2]" 1 1235 1 53 PRO HG3 1 59 SER HA . . 5.500 4.841 4.697 5.066 . 0 0 "[ . 1 . 2]" 1 1236 1 53 PRO HG3 1 59 SER HB2 . . 4.020 3.842 3.679 4.005 . 0 0 "[ . 1 . 2]" 1 1237 1 53 PRO HG3 1 59 SER HB3 . . 4.020 2.153 2.011 2.298 . 0 0 "[ . 1 . 2]" 1 1238 1 53 PRO HG3 1 60 ASP HA . . 5.420 4.427 4.106 4.980 . 0 0 "[ . 1 . 2]" 1 1239 1 53 PRO HG3 1 61 ILE H . . 4.380 3.086 2.766 3.608 . 0 0 "[ . 1 . 2]" 1 1240 1 53 PRO HG3 1 62 ILE HA . . 4.990 3.872 3.632 4.088 . 0 0 "[ . 1 . 2]" 1 1241 1 53 PRO HG3 1 62 ILE HG12 . . 4.870 4.555 4.295 4.867 . 0 0 "[ . 1 . 2]" 1 1242 1 54 ALA H 1 54 ALA MB . . 2.940 2.058 2.023 2.141 . 0 0 "[ . 1 . 2]" 1 1243 1 54 ALA H 1 55 PRO HD2 . . 5.090 4.687 4.655 4.744 . 0 0 "[ . 1 . 2]" 1 1244 1 54 ALA H 1 55 PRO QD . . 4.470 4.323 4.308 4.345 . 0 0 "[ . 1 . 2]" 1 1245 1 54 ALA H 1 55 PRO HD3 . . 5.090 5.072 4.996 5.096 0.006 19 0 "[ . 1 . 2]" 1 1246 1 54 ALA H 1 56 GLU QG . . 4.770 4.553 4.338 4.702 . 0 0 "[ . 1 . 2]" 1 1247 1 54 ALA H 1 57 LEU HB2 . . 5.220 3.685 3.519 3.939 . 0 0 "[ . 1 . 2]" 1 1248 1 54 ALA H 1 57 LEU MD1 . . 3.690 2.175 1.878 2.693 . 0 0 "[ . 1 . 2]" 1 1249 1 54 ALA H 1 57 LEU HG . . 4.910 3.774 3.462 4.128 . 0 0 "[ . 1 . 2]" 1 1250 1 54 ALA HA 1 55 PRO HD2 . . 3.410 2.568 2.392 2.635 . 0 0 "[ . 1 . 2]" 1 1251 1 54 ALA HA 1 55 PRO QD . . 2.940 2.194 2.085 2.237 . 0 0 "[ . 1 . 2]" 1 1252 1 54 ALA HA 1 55 PRO HD3 . . 3.410 2.381 2.295 2.420 . 0 0 "[ . 1 . 2]" 1 1253 1 54 ALA HA 1 55 PRO QG . . 4.200 4.113 3.997 4.159 . 0 0 "[ . 1 . 2]" 1 1254 1 54 ALA HA 1 56 GLU H . . 4.310 4.173 3.908 4.306 . 0 0 "[ . 1 . 2]" 1 1255 1 54 ALA MB 1 55 PRO HD2 . . 3.390 1.951 1.900 2.055 . 0 0 "[ . 1 . 2]" 1 1256 1 54 ALA MB 1 55 PRO HD3 . . 3.390 3.063 2.955 3.226 . 0 0 "[ . 1 . 2]" 1 1257 1 54 ALA MB 1 55 PRO QG . . 3.740 3.374 3.308 3.559 . 0 0 "[ . 1 . 2]" 1 1258 1 54 ALA MB 1 56 GLU H . . 3.470 2.286 2.146 2.458 . 0 0 "[ . 1 . 2]" 1 1259 1 54 ALA MB 1 56 GLU QB . . 3.950 3.610 3.307 3.824 . 0 0 "[ . 1 . 2]" 1 1260 1 54 ALA MB 1 56 GLU QG . . 3.800 2.093 1.922 2.531 . 0 0 "[ . 1 . 2]" 1 1261 1 54 ALA MB 1 57 LEU H . . 4.150 3.049 2.793 3.252 . 0 0 "[ . 1 . 2]" 1 1262 1 54 ALA MB 1 57 LEU MD1 . . 3.260 2.497 2.064 2.906 . 0 0 "[ . 1 . 2]" 1 1263 1 54 ALA MB 1 57 LEU MD2 . . 4.350 3.992 3.702 4.263 . 0 0 "[ . 1 . 2]" 1 1264 1 54 ALA MB 1 57 LEU HG . . 3.180 2.833 2.409 3.120 . 0 0 "[ . 1 . 2]" 1 1265 1 55 PRO HA 1 57 LEU H . . 4.500 3.909 3.640 4.292 . 0 0 "[ . 1 . 2]" 1 1266 1 55 PRO HA 1 58 GLN H . . 4.540 3.356 3.212 3.507 . 0 0 "[ . 1 . 2]" 1 1267 1 55 PRO HA 1 58 GLN HA . . 4.870 3.895 3.658 4.138 . 0 0 "[ . 1 . 2]" 1 1268 1 55 PRO QB 1 56 GLU H . . 3.760 3.343 3.210 3.536 . 0 0 "[ . 1 . 2]" 1 1269 1 55 PRO HB2 1 56 GLU H . . 4.420 3.501 3.342 3.735 . 0 0 "[ . 1 . 2]" 1 1270 1 55 PRO HB3 1 56 GLU H . . 4.420 4.239 4.146 4.374 . 0 0 "[ . 1 . 2]" 1 1271 1 55 PRO HD2 1 56 GLU H . . 3.960 2.686 2.647 2.789 . 0 0 "[ . 1 . 2]" 1 1272 1 55 PRO HD3 1 56 GLU H . . 3.960 3.862 3.838 3.918 . 0 0 "[ . 1 . 2]" 1 1273 1 55 PRO QG 1 56 GLU H . . 3.530 2.567 2.358 2.892 . 0 0 "[ . 1 . 2]" 1 1274 1 56 GLU H 1 56 GLU QB . . 3.140 2.526 2.299 2.761 . 0 0 "[ . 1 . 2]" 1 1275 1 56 GLU H 1 56 GLU QG . . 3.510 2.203 2.009 2.599 . 0 0 "[ . 1 . 2]" 1 1276 1 56 GLU H 1 57 LEU H . . 3.520 2.490 2.331 2.614 . 0 0 "[ . 1 . 2]" 1 1277 1 56 GLU H 1 57 LEU HG . . 4.640 4.089 3.746 4.481 . 0 0 "[ . 1 . 2]" 1 1278 1 56 GLU H 1 58 GLN H . . 5.020 3.997 3.847 4.213 . 0 0 "[ . 1 . 2]" 1 1279 1 56 GLU HA 1 56 GLU QG . . 3.390 3.343 3.294 3.433 0.043 9 0 "[ . 1 . 2]" 1 1280 1 56 GLU HA 1 58 GLN H . . 4.400 4.066 3.835 4.266 . 0 0 "[ . 1 . 2]" 1 1281 1 56 GLU HA 1 58 GLN QG . . 3.820 3.543 3.143 3.814 . 0 0 "[ . 1 . 2]" 1 1282 1 56 GLU QB 1 57 LEU H . . 3.960 3.638 3.456 3.807 . 0 0 "[ . 1 . 2]" 1 1283 1 56 GLU QG 1 57 LEU H . . 3.650 2.440 2.046 2.873 . 0 0 "[ . 1 . 2]" 1 1284 1 56 GLU QG 1 57 LEU HA . . 3.970 3.503 3.121 3.971 0.001 9 0 "[ . 1 . 2]" 1 1285 1 56 GLU QG 1 57 LEU MD1 . . 5.040 3.565 3.397 3.713 . 0 0 "[ . 1 . 2]" 1 1286 1 56 GLU QG 1 57 LEU MD2 . . 3.790 2.977 2.552 3.486 . 0 0 "[ . 1 . 2]" 1 1287 1 56 GLU QG 1 57 LEU HG . . 4.170 2.233 2.047 2.417 . 0 0 "[ . 1 . 2]" 1 1288 1 57 LEU H 1 57 LEU HB2 . . 3.200 2.455 2.385 2.545 . 0 0 "[ . 1 . 2]" 1 1289 1 57 LEU H 1 57 LEU HB3 . . 4.060 3.622 3.585 3.664 . 0 0 "[ . 1 . 2]" 1 1290 1 57 LEU H 1 57 LEU MD1 . . 3.710 3.599 3.424 3.696 . 0 0 "[ . 1 . 2]" 1 1291 1 57 LEU H 1 57 LEU MD2 . . 3.840 3.684 3.454 3.829 . 0 0 "[ . 1 . 2]" 1 1292 1 57 LEU H 1 57 LEU HG . . 3.110 2.520 2.305 2.673 . 0 0 "[ . 1 . 2]" 1 1293 1 57 LEU H 1 58 GLN H . . 3.250 2.304 2.122 2.554 . 0 0 "[ . 1 . 2]" 1 1294 1 57 LEU H 1 58 GLN HA . . 4.980 4.563 4.374 4.821 . 0 0 "[ . 1 . 2]" 1 1295 1 57 LEU H 1 59 SER H . . 4.750 4.406 3.981 4.704 . 0 0 "[ . 1 . 2]" 1 1296 1 57 LEU HA 1 57 LEU MD1 . . 4.060 3.908 3.873 3.934 . 0 0 "[ . 1 . 2]" 1 1297 1 57 LEU HA 1 57 LEU MD2 . . 2.840 2.209 2.047 2.387 . 0 0 "[ . 1 . 2]" 1 1298 1 57 LEU HA 1 57 LEU HG . . 3.740 3.007 2.928 3.119 . 0 0 "[ . 1 . 2]" 1 1299 1 57 LEU HA 1 58 GLN QG . . 5.340 4.008 3.222 4.633 . 0 0 "[ . 1 . 2]" 1 1300 1 57 LEU HA 1 59 SER H . . 5.080 4.839 4.555 5.069 . 0 0 "[ . 1 . 2]" 1 1301 1 57 LEU HB2 1 57 LEU MD1 . . 3.290 2.167 2.054 2.272 . 0 0 "[ . 1 . 2]" 1 1302 1 57 LEU HB2 1 57 LEU MD2 . . 3.670 3.176 3.159 3.189 . 0 0 "[ . 1 . 2]" 1 1303 1 57 LEU HB2 1 58 GLN H . . 3.370 3.011 2.850 3.212 . 0 0 "[ . 1 . 2]" 1 1304 1 57 LEU HB2 1 59 SER H . . 4.040 3.142 2.829 3.334 . 0 0 "[ . 1 . 2]" 1 1305 1 57 LEU HB2 1 59 SER HB2 . . 4.750 3.345 3.123 3.582 . 0 0 "[ . 1 . 2]" 1 1306 1 57 LEU HB2 1 59 SER QB . . 4.060 3.198 2.991 3.423 . 0 0 "[ . 1 . 2]" 1 1307 1 57 LEU HB2 1 59 SER HB3 . . 4.750 4.080 3.827 4.345 . 0 0 "[ . 1 . 2]" 1 1308 1 57 LEU HB3 1 57 LEU MD1 . . 3.530 2.485 2.357 2.607 . 0 0 "[ . 1 . 2]" 1 1309 1 57 LEU HB3 1 57 LEU MD2 . . 3.280 2.244 2.140 2.328 . 0 0 "[ . 1 . 2]" 1 1310 1 57 LEU HB3 1 58 GLN H . . 4.050 3.956 3.836 4.051 0.001 19 0 "[ . 1 . 2]" 1 1311 1 57 LEU HB3 1 59 SER H . . 4.530 3.766 3.397 3.983 . 0 0 "[ . 1 . 2]" 1 1312 1 57 LEU HB3 1 59 SER HB2 . . 4.650 2.859 2.711 2.993 . 0 0 "[ . 1 . 2]" 1 1313 1 57 LEU HB3 1 59 SER QB . . 4.020 2.813 2.670 2.942 . 0 0 "[ . 1 . 2]" 1 1314 1 57 LEU HB3 1 59 SER HB3 . . 4.650 4.196 4.005 4.410 . 0 0 "[ . 1 . 2]" 1 1315 1 57 LEU MD1 1 58 GLN H . . 4.880 4.708 4.614 4.881 0.001 19 0 "[ . 1 . 2]" 1 1316 1 57 LEU MD1 1 59 SER HB2 . . 4.630 3.826 3.564 4.114 . 0 0 "[ . 1 . 2]" 1 1317 1 57 LEU MD1 1 59 SER QB . . 3.950 3.549 3.333 3.729 . 0 0 "[ . 1 . 2]" 1 1318 1 57 LEU MD1 1 59 SER HB3 . . 4.630 4.212 3.947 4.443 . 0 0 "[ . 1 . 2]" 1 1319 1 57 LEU MD2 1 58 GLN H . . 4.920 4.816 4.761 4.886 . 0 0 "[ . 1 . 2]" 1 1320 1 57 LEU HG 1 58 GLN H . . 4.990 4.465 4.311 4.594 . 0 0 "[ . 1 . 2]" 1 1321 1 58 GLN H 1 58 GLN HB2 . . 4.180 3.564 3.329 3.989 . 0 0 "[ . 1 . 2]" 1 1322 1 58 GLN H 1 58 GLN QB . . 3.670 3.296 3.070 3.401 . 0 0 "[ . 1 . 2]" 1 1323 1 58 GLN H 1 58 GLN HB3 . . 4.180 3.943 3.192 4.058 . 0 0 "[ . 1 . 2]" 1 1324 1 58 GLN H 1 58 GLN HG2 . . 3.880 3.164 2.252 3.521 . 0 0 "[ . 1 . 2]" 1 1325 1 58 GLN H 1 58 GLN QG . . 3.310 2.619 2.238 2.883 . 0 0 "[ . 1 . 2]" 1 1326 1 58 GLN H 1 58 GLN HG3 . . 3.880 2.987 2.420 3.885 0.005 19 0 "[ . 1 . 2]" 1 1327 1 58 GLN H 1 59 SER H . . 3.630 2.891 2.704 3.080 . 0 0 "[ . 1 . 2]" 1 1328 1 58 GLN HA 1 58 GLN QE . . 5.100 4.402 1.962 4.968 . 0 0 "[ . 1 . 2]" 1 1329 1 58 GLN HA 1 58 GLN HG2 . . 4.010 2.663 2.303 3.528 . 0 0 "[ . 1 . 2]" 1 1330 1 58 GLN HA 1 58 GLN QG . . 3.430 2.538 2.254 3.252 . 0 0 "[ . 1 . 2]" 1 1331 1 58 GLN HA 1 58 GLN HG3 . . 4.010 3.282 2.979 3.891 . 0 0 "[ . 1 . 2]" 1 1332 1 58 GLN HA 1 59 SER H . . 3.240 2.712 2.623 2.879 . 0 0 "[ . 1 . 2]" 1 1333 1 58 GLN HA 1 59 SER HA . . 5.500 4.515 4.431 4.634 . 0 0 "[ . 1 . 2]" 1 1334 1 58 GLN QB 1 59 SER H . . 4.110 3.888 3.812 3.982 . 0 0 "[ . 1 . 2]" 1 1335 1 58 GLN HB2 1 59 SER H . . 4.790 4.288 4.144 4.409 . 0 0 "[ . 1 . 2]" 1 1336 1 58 GLN HB3 1 59 SER H . . 4.790 4.455 4.356 4.643 . 0 0 "[ . 1 . 2]" 1 1337 1 59 SER H 1 59 SER HB2 . . 3.280 2.617 2.510 2.770 . 0 0 "[ . 1 . 2]" 1 1338 1 59 SER H 1 59 SER HB3 . . 3.280 2.806 2.676 2.929 . 0 0 "[ . 1 . 2]" 1 1339 1 59 SER H 1 60 ASP H . . 4.730 4.528 4.456 4.568 . 0 0 "[ . 1 . 2]" 1 1340 1 59 SER HA 1 60 ASP H . . 2.990 2.245 2.184 2.360 . 0 0 "[ . 1 . 2]" 1 1341 1 59 SER HA 1 61 ILE H . . 4.080 3.848 3.730 4.009 . 0 0 "[ . 1 . 2]" 1 1342 1 59 SER QB 1 60 ASP H . . 4.140 3.440 3.208 3.614 . 0 0 "[ . 1 . 2]" 1 1343 1 59 SER QB 1 61 ILE H . . 3.810 2.997 2.843 3.200 . 0 0 "[ . 1 . 2]" 1 1344 1 59 SER QB 1 61 ILE HB . . 5.160 4.434 4.241 4.726 . 0 0 "[ . 1 . 2]" 1 1345 1 59 SER HB2 1 60 ASP H . . 4.980 4.178 4.014 4.260 . 0 0 "[ . 1 . 2]" 1 1346 1 59 SER HB2 1 61 ILE H . . 4.380 4.350 4.251 4.392 0.012 12 0 "[ . 1 . 2]" 1 1347 1 59 SER HB3 1 60 ASP H . . 4.980 3.665 3.373 3.919 . 0 0 "[ . 1 . 2]" 1 1348 1 59 SER HB3 1 61 ILE H . . 4.380 3.056 2.885 3.290 . 0 0 "[ . 1 . 2]" 1 1349 1 59 SER HG 1 60 ASP H . . 5.050 2.955 2.075 3.888 . 0 0 "[ . 1 . 2]" 1 1350 1 59 SER HG 1 61 ILE H . . 4.630 2.722 1.959 3.931 . 0 0 "[ . 1 . 2]" 1 1351 1 59 SER HG 1 61 ILE HB . . 5.270 3.466 2.838 4.355 . 0 0 "[ . 1 . 2]" 1 1352 1 60 ASP H 1 60 ASP HB2 . . 3.790 2.762 2.598 3.547 . 0 0 "[ . 1 . 2]" 1 1353 1 60 ASP H 1 60 ASP QB . . 3.220 2.663 2.550 3.052 . 0 0 "[ . 1 . 2]" 1 1354 1 60 ASP H 1 60 ASP HB3 . . 3.790 3.708 3.326 3.785 . 0 0 "[ . 1 . 2]" 1 1355 1 60 ASP H 1 61 ILE H . . 3.250 2.454 2.332 2.592 . 0 0 "[ . 1 . 2]" 1 1356 1 60 ASP H 1 61 ILE HA . . 4.860 4.759 4.663 4.849 . 0 0 "[ . 1 . 2]" 1 1357 1 60 ASP H 1 61 ILE HB . . 4.710 4.619 4.440 4.711 0.001 18 0 "[ . 1 . 2]" 1 1358 1 60 ASP H 1 61 ILE MD . . 4.550 3.712 3.450 3.864 . 0 0 "[ . 1 . 2]" 1 1359 1 60 ASP H 1 61 ILE HG12 . . 4.560 2.742 2.651 2.835 . 0 0 "[ . 1 . 2]" 1 1360 1 60 ASP H 1 61 ILE HG13 . . 4.560 4.394 4.299 4.517 . 0 0 "[ . 1 . 2]" 1 1361 1 60 ASP QB 1 61 ILE H . . 3.990 3.727 3.650 3.907 . 0 0 "[ . 1 . 2]" 1 1362 1 60 ASP QB 1 61 ILE MD . . 4.150 2.978 2.667 3.364 . 0 0 "[ . 1 . 2]" 1 1363 1 60 ASP QB 1 61 ILE QG . . 5.010 3.523 3.313 4.313 . 0 0 "[ . 1 . 2]" 1 1364 1 60 ASP HB2 1 61 ILE H . . 4.630 3.975 3.877 4.214 . 0 0 "[ . 1 . 2]" 1 1365 1 60 ASP HB2 1 61 ILE MD . . 4.780 3.074 2.720 3.451 . 0 0 "[ . 1 . 2]" 1 1366 1 60 ASP HB3 1 61 ILE H . . 4.630 4.505 4.450 4.622 . 0 0 "[ . 1 . 2]" 1 1367 1 60 ASP HB3 1 61 ILE MD . . 4.780 4.004 3.610 4.658 . 0 0 "[ . 1 . 2]" 1 1368 1 61 ILE H 1 61 ILE HB . . 2.990 2.844 2.775 2.919 . 0 0 "[ . 1 . 2]" 1 1369 1 61 ILE H 1 61 ILE MD . . 3.510 3.430 3.172 3.510 . 0 0 "[ . 1 . 2]" 1 1370 1 61 ILE H 1 61 ILE HG12 . . 3.880 2.364 2.138 2.434 . 0 0 "[ . 1 . 2]" 1 1371 1 61 ILE H 1 61 ILE QG . . 3.320 2.343 2.124 2.410 . 0 0 "[ . 1 . 2]" 1 1372 1 61 ILE H 1 61 ILE HG13 . . 3.880 3.841 3.678 3.880 0.000 14 0 "[ . 1 . 2]" 1 1373 1 61 ILE H 1 61 ILE MG . . 4.080 3.908 3.848 3.931 . 0 0 "[ . 1 . 2]" 1 1374 1 61 ILE H 1 62 ILE H . . 4.500 4.231 4.099 4.305 . 0 0 "[ . 1 . 2]" 1 1375 1 61 ILE HA 1 61 ILE MD . . 3.610 2.366 2.186 2.487 . 0 0 "[ . 1 . 2]" 1 1376 1 61 ILE HA 1 61 ILE MG . . 3.380 2.116 2.073 2.147 . 0 0 "[ . 1 . 2]" 1 1377 1 61 ILE HA 1 62 ILE H . . 2.950 2.145 2.139 2.163 . 0 0 "[ . 1 . 2]" 1 1378 1 61 ILE HA 1 62 ILE HA . . 4.970 4.400 4.386 4.426 . 0 0 "[ . 1 . 2]" 1 1379 1 61 ILE HA 1 62 ILE HB . . 4.890 4.474 4.449 4.499 . 0 0 "[ . 1 . 2]" 1 1380 1 61 ILE HB 1 61 ILE MD . . 3.490 3.219 3.212 3.228 . 0 0 "[ . 1 . 2]" 1 1381 1 61 ILE HB 1 62 ILE H . . 4.250 4.149 4.048 4.240 . 0 0 "[ . 1 . 2]" 1 1382 1 61 ILE HB 1 62 ILE HA . . 5.500 4.781 4.728 4.838 . 0 0 "[ . 1 . 2]" 1 1383 1 61 ILE MD 1 62 ILE H . . 4.380 4.116 3.990 4.204 . 0 0 "[ . 1 . 2]" 1 1384 1 61 ILE QG 1 61 ILE MG . . 3.050 2.305 2.258 2.343 . 0 0 "[ . 1 . 2]" 1 1385 1 61 ILE HG12 1 61 ILE MG . . 3.520 3.190 3.187 3.195 . 0 0 "[ . 1 . 2]" 1 1386 1 61 ILE HG13 1 61 ILE MG . . 3.520 2.365 2.310 2.411 . 0 0 "[ . 1 . 2]" 1 1387 1 61 ILE MG 1 62 ILE H . . 3.230 2.909 2.740 3.164 . 0 0 "[ . 1 . 2]" 1 1388 1 61 ILE MG 1 62 ILE HA . . 5.080 4.350 4.228 4.493 . 0 0 "[ . 1 . 2]" 1 1389 1 62 ILE H 1 62 ILE HB . . 3.440 2.369 2.335 2.403 . 0 0 "[ . 1 . 2]" 1 1390 1 62 ILE H 1 62 ILE MD . . 4.440 3.819 3.664 3.946 . 0 0 "[ . 1 . 2]" 1 1391 1 62 ILE H 1 62 ILE HG12 . . 4.980 3.979 3.897 4.094 . 0 0 "[ . 1 . 2]" 1 1392 1 62 ILE H 1 62 ILE HG13 . . 3.890 2.784 2.650 2.887 . 0 0 "[ . 1 . 2]" 1 1393 1 62 ILE H 1 62 ILE MG . . 4.180 3.713 3.692 3.731 . 0 0 "[ . 1 . 2]" 1 1394 1 62 ILE H 1 63 ALA H . . 4.720 4.554 4.523 4.600 . 0 0 "[ . 1 . 2]" 1 1395 1 62 ILE HA 1 62 ILE MD . . 4.040 3.793 3.766 3.810 . 0 0 "[ . 1 . 2]" 1 1396 1 62 ILE HA 1 62 ILE HG12 . . 3.410 2.483 2.402 2.560 . 0 0 "[ . 1 . 2]" 1 1397 1 62 ILE HA 1 62 ILE HG13 . . 3.670 2.783 2.687 2.896 . 0 0 "[ . 1 . 2]" 1 1398 1 62 ILE HA 1 62 ILE MG . . 3.530 2.470 2.434 2.533 . 0 0 "[ . 1 . 2]" 1 1399 1 62 ILE HA 1 63 ALA H . . 3.010 2.206 2.182 2.262 . 0 0 "[ . 1 . 2]" 1 1400 1 62 ILE HA 1 63 ALA HA . . 4.920 4.379 4.374 4.389 . 0 0 "[ . 1 . 2]" 1 1401 1 62 ILE HA 1 63 ALA MB . . 4.020 3.914 3.848 3.957 . 0 0 "[ . 1 . 2]" 1 1402 1 62 ILE HB 1 62 ILE MD . . 3.440 2.360 2.256 2.460 . 0 0 "[ . 1 . 2]" 1 1403 1 62 ILE HB 1 63 ALA H . . 4.180 4.122 3.986 4.181 0.001 15 0 "[ . 1 . 2]" 1 1404 1 62 ILE HB 1 63 ALA HA . . 5.500 5.056 4.980 5.111 . 0 0 "[ . 1 . 2]" 1 1405 1 62 ILE HB 1 78 LEU MD2 . . 3.340 2.888 2.468 3.185 . 0 0 "[ . 1 . 2]" 1 1406 1 62 ILE MD 1 62 ILE MG . . 2.990 2.018 1.907 2.172 . 0 0 "[ . 1 . 2]" 1 1407 1 62 ILE MD 1 63 ALA H . . 4.890 4.828 4.726 4.890 0.000 16 0 "[ . 1 . 2]" 1 1408 1 62 ILE MD 1 78 LEU MD1 . . 3.910 3.026 2.547 3.391 . 0 0 "[ . 1 . 2]" 1 1409 1 62 ILE MD 1 78 LEU MD2 . . 3.650 2.146 1.869 2.551 . 0 0 "[ . 1 . 2]" 1 1410 1 62 ILE HG12 1 63 ALA H . . 3.990 3.956 3.888 3.995 0.005 15 0 "[ . 1 . 2]" 1 1411 1 62 ILE HG13 1 63 ALA H . . 5.190 4.767 4.671 4.871 . 0 0 "[ . 1 . 2]" 1 1412 1 62 ILE MG 1 63 ALA H . . 3.490 2.081 1.913 2.284 . 0 0 "[ . 1 . 2]" 1 1413 1 62 ILE MG 1 63 ALA HA . . 4.810 3.594 3.458 3.642 . 0 0 "[ . 1 . 2]" 1 1414 1 62 ILE MG 1 63 ALA MB . . 4.240 3.671 3.621 3.749 . 0 0 "[ . 1 . 2]" 1 1415 1 62 ILE MG 1 64 ILE H . . 5.380 4.005 3.803 4.152 . 0 0 "[ . 1 . 2]" 1 1416 1 62 ILE MG 1 64 ILE HA . . 5.050 3.998 3.898 4.084 . 0 0 "[ . 1 . 2]" 1 1417 1 62 ILE MG 1 64 ILE HG12 . . 3.490 2.733 2.491 2.917 . 0 0 "[ . 1 . 2]" 1 1418 1 62 ILE MG 1 64 ILE HG13 . . 3.640 2.522 2.276 2.840 . 0 0 "[ . 1 . 2]" 1 1419 1 63 ALA H 1 63 ALA MB . . 3.170 2.339 2.266 2.416 . 0 0 "[ . 1 . 2]" 1 1420 1 63 ALA H 1 64 ILE H . . 4.770 4.418 4.360 4.470 . 0 0 "[ . 1 . 2]" 1 1421 1 63 ALA HA 1 64 ILE H . . 3.010 2.150 2.141 2.166 . 0 0 "[ . 1 . 2]" 1 1422 1 63 ALA HA 1 64 ILE HA . . 5.290 4.395 4.392 4.401 . 0 0 "[ . 1 . 2]" 1 1423 1 63 ALA HA 1 64 ILE HB . . 5.500 4.704 4.629 4.818 . 0 0 "[ . 1 . 2]" 1 1424 1 63 ALA HA 1 64 ILE HG13 . . 4.420 3.616 3.490 3.807 . 0 0 "[ . 1 . 2]" 1 1425 1 63 ALA MB 1 64 ILE H . . 3.450 3.138 3.023 3.233 . 0 0 "[ . 1 . 2]" 1 1426 1 64 ILE H 1 64 ILE HB . . 3.610 2.703 2.597 2.812 . 0 0 "[ . 1 . 2]" 1 1427 1 64 ILE H 1 64 ILE MD . . 3.950 3.937 3.874 3.952 0.002 2 0 "[ . 1 . 2]" 1 1428 1 64 ILE H 1 64 ILE HG12 . . 4.710 3.789 3.573 3.970 . 0 0 "[ . 1 . 2]" 1 1429 1 64 ILE H 1 64 ILE HG13 . . 3.910 2.622 2.480 2.757 . 0 0 "[ . 1 . 2]" 1 1430 1 64 ILE H 1 64 ILE MG . . 4.050 3.876 3.832 3.909 . 0 0 "[ . 1 . 2]" 1 1431 1 64 ILE H 1 65 THR H . . 4.650 4.349 4.259 4.440 . 0 0 "[ . 1 . 2]" 1 1432 1 64 ILE HA 1 64 ILE MD . . 4.310 3.865 3.841 3.884 . 0 0 "[ . 1 . 2]" 1 1433 1 64 ILE HA 1 64 ILE MG . . 3.440 2.286 2.173 2.409 . 0 0 "[ . 1 . 2]" 1 1434 1 64 ILE HA 1 65 THR H . . 3.040 2.149 2.138 2.176 . 0 0 "[ . 1 . 2]" 1 1435 1 64 ILE HA 1 65 THR HA . . 4.970 4.387 4.381 4.394 . 0 0 "[ . 1 . 2]" 1 1436 1 64 ILE HA 1 65 THR HB . . 4.990 4.687 4.606 4.798 . 0 0 "[ . 1 . 2]" 1 1437 1 64 ILE HA 1 71 LEU MD2 . . 4.560 4.453 4.341 4.552 . 0 0 "[ . 1 . 2]" 1 1438 1 64 ILE HB 1 64 ILE MD . . 3.230 2.354 2.270 2.464 . 0 0 "[ . 1 . 2]" 1 1439 1 64 ILE HB 1 65 THR H . . 4.270 4.128 3.983 4.256 . 0 0 "[ . 1 . 2]" 1 1440 1 64 ILE HB 1 71 LEU HA . . 4.770 4.457 4.232 4.625 . 0 0 "[ . 1 . 2]" 1 1441 1 64 ILE HB 1 71 LEU MD2 . . 3.140 2.916 2.743 3.091 . 0 0 "[ . 1 . 2]" 1 1442 1 64 ILE MD 1 74 ALA MB . . 3.480 2.959 2.644 3.194 . 0 0 "[ . 1 . 2]" 1 1443 1 64 ILE MD 1 75 LYS H . . 4.040 3.619 3.277 3.872 . 0 0 "[ . 1 . 2]" 1 1444 1 64 ILE MD 1 75 LYS HA . . 3.750 2.656 2.408 2.873 . 0 0 "[ . 1 . 2]" 1 1445 1 64 ILE MD 1 75 LYS HB2 . . 3.550 3.102 2.883 3.270 . 0 0 "[ . 1 . 2]" 1 1446 1 64 ILE MD 1 75 LYS HB3 . . 5.030 4.441 4.204 4.566 . 0 0 "[ . 1 . 2]" 1 1447 1 64 ILE MD 1 75 LYS HG2 . . 5.140 4.406 4.101 4.694 . 0 0 "[ . 1 . 2]" 1 1448 1 64 ILE MD 1 75 LYS QG . . 4.310 3.128 2.911 3.434 . 0 0 "[ . 1 . 2]" 1 1449 1 64 ILE MD 1 75 LYS HG3 . . 5.140 3.201 2.972 3.531 . 0 0 "[ . 1 . 2]" 1 1450 1 64 ILE MD 1 78 LEU QB . . 3.950 3.072 2.848 3.378 . 0 0 "[ . 1 . 2]" 1 1451 1 64 ILE HG13 1 65 THR H . . 5.330 5.100 5.040 5.187 . 0 0 "[ . 1 . 2]" 1 1452 1 64 ILE MG 1 65 THR H . . 3.480 2.527 2.170 2.884 . 0 0 "[ . 1 . 2]" 1 1453 1 64 ILE MG 1 65 THR HA . . 4.950 3.953 3.759 4.149 . 0 0 "[ . 1 . 2]" 1 1454 1 64 ILE MG 1 71 LEU HA . . 4.010 3.181 2.915 3.578 . 0 0 "[ . 1 . 2]" 1 1455 1 64 ILE MG 1 74 ALA MB . . 3.370 2.657 2.433 2.856 . 0 0 "[ . 1 . 2]" 1 1456 1 65 THR H 1 65 THR HB . . 3.490 2.606 2.522 2.721 . 0 0 "[ . 1 . 2]" 1 1457 1 65 THR H 1 65 THR MG . . 4.050 3.832 3.804 3.862 . 0 0 "[ . 1 . 2]" 1 1458 1 65 THR H 1 66 GLY H . . 4.550 4.517 4.464 4.546 . 0 0 "[ . 1 . 2]" 1 1459 1 65 THR H 1 71 LEU MD2 . . 4.180 3.963 3.859 4.121 . 0 0 "[ . 1 . 2]" 1 1460 1 65 THR HA 1 65 THR MG . . 3.520 2.379 2.270 2.431 . 0 0 "[ . 1 . 2]" 1 1461 1 65 THR HA 1 66 GLY H . . 2.990 2.205 2.174 2.234 . 0 0 "[ . 1 . 2]" 1 1462 1 65 THR HA 1 66 GLY QA . . 4.870 3.933 3.923 3.944 . 0 0 "[ . 1 . 2]" 1 1463 1 65 THR HA 1 71 LEU MD1 . . 4.600 4.178 3.987 4.389 . 0 0 "[ . 1 . 2]" 1 1464 1 65 THR HA 1 71 LEU MD2 . . 4.100 2.803 2.684 2.896 . 0 0 "[ . 1 . 2]" 1 1465 1 65 THR HB 1 66 GLY H . . 4.350 3.972 3.820 4.076 . 0 0 "[ . 1 . 2]" 1 1466 1 65 THR MG 1 66 GLY H . . 3.450 2.122 1.938 2.315 . 0 0 "[ . 1 . 2]" 1 1467 1 65 THR MG 1 66 GLY QA . . 4.100 3.024 2.906 3.236 . 0 0 "[ . 1 . 2]" 1 1468 1 65 THR MG 1 71 LEU MD2 . . 4.550 3.832 3.647 3.953 . 0 0 "[ . 1 . 2]" 1 1469 1 66 GLY H 1 67 LEU H . . 4.770 4.368 4.346 4.391 . 0 0 "[ . 1 . 2]" 1 1470 1 66 GLY H 1 71 LEU MD1 . . 3.880 3.445 3.214 3.582 . 0 0 "[ . 1 . 2]" 1 1471 1 66 GLY H 1 71 LEU MD2 . . 3.610 2.423 2.211 2.645 . 0 0 "[ . 1 . 2]" 1 1472 1 66 GLY H 1 71 LEU HG . . 5.150 4.048 3.856 4.235 . 0 0 "[ . 1 . 2]" 1 1473 1 66 GLY QA 1 67 LEU HA . . 4.080 3.963 3.954 3.971 . 0 0 "[ . 1 . 2]" 1 1474 1 66 GLY QA 1 71 LEU MD2 . . 3.730 2.297 2.120 2.446 . 0 0 "[ . 1 . 2]" 1 1475 1 66 GLY HA2 1 67 LEU H . . 3.330 2.485 2.433 2.553 . 0 0 "[ . 1 . 2]" 1 1476 1 66 GLY HA2 1 67 LEU HA . . 4.680 4.296 4.291 4.302 . 0 0 "[ . 1 . 2]" 1 1477 1 66 GLY HA2 1 71 LEU MD2 . . 4.260 3.563 3.360 3.723 . 0 0 "[ . 1 . 2]" 1 1478 1 66 GLY HA3 1 67 LEU H . . 3.330 2.644 2.574 2.701 . 0 0 "[ . 1 . 2]" 1 1479 1 66 GLY HA3 1 67 LEU HA . . 4.680 4.650 4.610 4.682 0.002 17 0 "[ . 1 . 2]" 1 1480 1 66 GLY HA3 1 71 LEU MD2 . . 4.260 2.326 2.144 2.480 . 0 0 "[ . 1 . 2]" 1 1481 1 67 LEU H 1 67 LEU HB2 . . 3.160 2.384 2.307 2.505 . 0 0 "[ . 1 . 2]" 1 1482 1 67 LEU H 1 67 LEU HB3 . . 3.720 3.571 3.551 3.587 . 0 0 "[ . 1 . 2]" 1 1483 1 67 LEU H 1 67 LEU MD1 . . 3.800 3.651 3.475 3.790 . 0 0 "[ . 1 . 2]" 1 1484 1 67 LEU H 1 67 LEU MD2 . . 3.580 3.505 3.317 3.578 . 0 0 "[ . 1 . 2]" 1 1485 1 67 LEU H 1 67 LEU HG . . 3.350 2.448 2.204 2.615 . 0 0 "[ . 1 . 2]" 1 1486 1 67 LEU H 1 68 ALA H . . 4.800 4.599 4.584 4.612 . 0 0 "[ . 1 . 2]" 1 1487 1 67 LEU H 1 70 ASN H . . 5.020 3.901 3.716 4.035 . 0 0 "[ . 1 . 2]" 1 1488 1 67 LEU H 1 70 ASN HB2 . . 4.440 2.812 2.662 3.073 . 0 0 "[ . 1 . 2]" 1 1489 1 67 LEU H 1 70 ASN HB3 . . 4.840 4.249 4.092 4.501 . 0 0 "[ . 1 . 2]" 1 1490 1 67 LEU H 1 70 ASN HD21 . . 4.870 2.644 2.195 3.207 . 0 0 "[ . 1 . 2]" 1 1491 1 67 LEU H 1 70 ASN QD . . 4.040 2.554 2.151 2.992 . 0 0 "[ . 1 . 2]" 1 1492 1 67 LEU H 1 70 ASN HD22 . . 4.870 3.445 3.084 3.722 . 0 0 "[ . 1 . 2]" 1 1493 1 67 LEU H 1 71 LEU MD2 . . 4.800 4.104 3.895 4.264 . 0 0 "[ . 1 . 2]" 1 1494 1 67 LEU H 1 71 LEU HG . . 3.960 3.856 3.590 3.960 . 0 0 "[ . 1 . 2]" 1 1495 1 67 LEU HA 1 67 LEU MD1 . . 4.520 3.856 3.812 3.899 . 0 0 "[ . 1 . 2]" 1 1496 1 67 LEU HA 1 67 LEU MD2 . . 2.890 2.064 1.960 2.197 . 0 0 "[ . 1 . 2]" 1 1497 1 67 LEU HA 1 67 LEU HG . . 4.170 3.023 2.955 3.111 . 0 0 "[ . 1 . 2]" 1 1498 1 67 LEU HA 1 68 ALA H . . 3.010 2.195 2.180 2.216 . 0 0 "[ . 1 . 2]" 1 1499 1 67 LEU HA 1 68 ALA HA . . 5.170 4.320 4.312 4.327 . 0 0 "[ . 1 . 2]" 1 1500 1 67 LEU HA 1 68 ALA MB . . 4.480 4.077 4.048 4.100 . 0 0 "[ . 1 . 2]" 1 1501 1 67 LEU HA 1 69 ALA H . . 4.880 4.037 3.801 4.204 . 0 0 "[ . 1 . 2]" 1 1502 1 67 LEU HA 1 70 ASN H . . 4.940 4.506 4.384 4.657 . 0 0 "[ . 1 . 2]" 1 1503 1 67 LEU HA 1 71 LEU MD1 . . 4.670 3.570 3.453 3.765 . 0 0 "[ . 1 . 2]" 1 1504 1 67 LEU HA 1 71 LEU MD2 . . 4.870 4.761 4.612 4.860 . 0 0 "[ . 1 . 2]" 1 1505 1 67 LEU HB2 1 67 LEU MD1 . . 3.560 2.296 2.175 2.410 . 0 0 "[ . 1 . 2]" 1 1506 1 67 LEU HB2 1 68 ALA H . . 4.240 4.118 4.005 4.181 . 0 0 "[ . 1 . 2]" 1 1507 1 67 LEU HB2 1 69 ALA H . . 4.230 3.501 3.220 3.750 . 0 0 "[ . 1 . 2]" 1 1508 1 67 LEU HB2 1 69 ALA MB . . 4.480 3.450 3.227 3.668 . 0 0 "[ . 1 . 2]" 1 1509 1 67 LEU HB2 1 70 ASN H . . 3.840 2.628 2.499 2.766 . 0 0 "[ . 1 . 2]" 1 1510 1 67 LEU HB2 1 70 ASN HB2 . . 4.550 3.323 3.139 3.469 . 0 0 "[ . 1 . 2]" 1 1511 1 67 LEU HB2 1 70 ASN HB3 . . 4.920 4.507 4.430 4.642 . 0 0 "[ . 1 . 2]" 1 1512 1 67 LEU HB2 1 70 ASN HD21 . . 4.450 3.222 2.835 3.565 . 0 0 "[ . 1 . 2]" 1 1513 1 67 LEU HB2 1 70 ASN QD . . 3.900 2.664 2.448 2.836 . 0 0 "[ . 1 . 2]" 1 1514 1 67 LEU HB2 1 70 ASN HD22 . . 4.450 2.861 2.582 3.135 . 0 0 "[ . 1 . 2]" 1 1515 1 67 LEU HB3 1 67 LEU MD1 . . 3.440 2.376 2.266 2.472 . 0 0 "[ . 1 . 2]" 1 1516 1 67 LEU HB3 1 67 LEU MD2 . . 3.230 2.315 2.245 2.357 . 0 0 "[ . 1 . 2]" 1 1517 1 67 LEU HB3 1 68 ALA H . . 3.790 3.037 2.945 3.108 . 0 0 "[ . 1 . 2]" 1 1518 1 67 LEU HB3 1 69 ALA H . . 4.070 2.720 2.489 2.968 . 0 0 "[ . 1 . 2]" 1 1519 1 67 LEU HB3 1 69 ALA MB . . 4.870 3.198 3.011 3.415 . 0 0 "[ . 1 . 2]" 1 1520 1 67 LEU HB3 1 70 ASN H . . 3.730 3.379 3.255 3.576 . 0 0 "[ . 1 . 2]" 1 1521 1 67 LEU HB3 1 70 ASN HB2 . . 4.920 4.781 4.523 4.915 . 0 0 "[ . 1 . 2]" 1 1522 1 67 LEU HB3 1 70 ASN QD . . 4.320 4.156 3.926 4.318 . 0 0 "[ . 1 . 2]" 1 1523 1 67 LEU MD1 1 68 ALA H . . 5.000 4.844 4.709 4.956 . 0 0 "[ . 1 . 2]" 1 1524 1 67 LEU MD1 1 69 ALA H . . 4.900 4.387 4.240 4.484 . 0 0 "[ . 1 . 2]" 1 1525 1 67 LEU MD1 1 70 ASN HD21 . . 4.140 3.775 3.356 4.095 . 0 0 "[ . 1 . 2]" 1 1526 1 67 LEU MD1 1 70 ASN HD22 . . 4.140 2.651 2.259 3.129 . 0 0 "[ . 1 . 2]" 1 1527 1 67 LEU MD2 1 68 ALA H . . 3.760 3.260 3.100 3.551 . 0 0 "[ . 1 . 2]" 1 1528 1 67 LEU MD2 1 69 ALA H . . 4.990 4.379 4.143 4.688 . 0 0 "[ . 1 . 2]" 1 1529 1 67 LEU HG 1 68 ALA H . . 5.270 4.980 4.896 5.071 . 0 0 "[ . 1 . 2]" 1 1530 1 67 LEU HG 1 70 ASN HD21 . . 5.100 3.788 3.318 4.348 . 0 0 "[ . 1 . 2]" 1 1531 1 67 LEU HG 1 70 ASN QD . . 4.450 3.219 2.779 3.527 . 0 0 "[ . 1 . 2]" 1 1532 1 67 LEU HG 1 70 ASN HD22 . . 5.100 3.506 2.983 3.942 . 0 0 "[ . 1 . 2]" 1 1533 1 68 ALA H 1 68 ALA MB . . 3.020 2.258 2.202 2.267 . 0 0 "[ . 1 . 2]" 1 1534 1 68 ALA H 1 69 ALA H . . 3.910 2.976 2.899 3.026 . 0 0 "[ . 1 . 2]" 1 1535 1 68 ALA H 1 70 ASN H . . 5.020 4.554 4.432 4.683 . 0 0 "[ . 1 . 2]" 1 1536 1 68 ALA H 1 71 LEU H . . 5.460 4.726 4.628 4.799 . 0 0 "[ . 1 . 2]" 1 1537 1 68 ALA H 1 71 LEU MD1 . . 4.530 3.000 2.858 3.150 . 0 0 "[ . 1 . 2]" 1 1538 1 68 ALA HA 1 70 ASN H . . 4.910 4.700 4.505 4.875 . 0 0 "[ . 1 . 2]" 1 1539 1 68 ALA HA 1 71 LEU H . . 4.150 3.710 3.516 3.928 . 0 0 "[ . 1 . 2]" 1 1540 1 68 ALA HA 1 71 LEU HB2 . . 3.970 2.806 2.667 2.877 . 0 0 "[ . 1 . 2]" 1 1541 1 68 ALA HA 1 71 LEU HB3 . . 4.310 4.268 4.138 4.311 0.001 16 0 "[ . 1 . 2]" 1 1542 1 68 ALA HA 1 71 LEU MD1 . . 3.340 1.980 1.858 2.160 . 0 0 "[ . 1 . 2]" 1 1543 1 68 ALA HA 1 71 LEU MD2 . . 4.600 4.349 4.211 4.473 . 0 0 "[ . 1 . 2]" 1 1544 1 68 ALA HA 1 71 LEU HG . . 3.750 3.225 3.069 3.432 . 0 0 "[ . 1 . 2]" 1 1545 1 68 ALA HA 1 72 ASP H . . 4.800 4.341 4.212 4.577 . 0 0 "[ . 1 . 2]" 1 1546 1 68 ALA MB 1 69 ALA H . . 3.340 2.634 2.504 2.845 . 0 0 "[ . 1 . 2]" 1 1547 1 68 ALA MB 1 71 LEU MD1 . . 3.740 3.168 3.032 3.289 . 0 0 "[ . 1 . 2]" 1 1548 1 69 ALA H 1 69 ALA MB . . 2.950 2.119 2.029 2.241 . 0 0 "[ . 1 . 2]" 1 1549 1 69 ALA H 1 70 ASN H . . 3.360 2.675 2.494 2.794 . 0 0 "[ . 1 . 2]" 1 1550 1 69 ALA H 1 71 LEU H . . 4.580 4.068 3.729 4.293 . 0 0 "[ . 1 . 2]" 1 1551 1 69 ALA HA 1 71 LEU H . . 5.070 4.617 4.209 4.877 . 0 0 "[ . 1 . 2]" 1 1552 1 69 ALA HA 1 72 ASP H . . 4.310 3.776 3.605 3.901 . 0 0 "[ . 1 . 2]" 1 1553 1 69 ALA HA 1 72 ASP HB2 . . 4.320 3.142 3.014 3.206 . 0 0 "[ . 1 . 2]" 1 1554 1 69 ALA HA 1 72 ASP HB3 . . 4.770 4.721 4.614 4.771 0.001 16 0 "[ . 1 . 2]" 1 1555 1 69 ALA MB 1 70 ASN H . . 3.540 2.493 2.243 2.638 . 0 0 "[ . 1 . 2]" 1 1556 1 69 ALA MB 1 70 ASN HA . . 4.450 3.734 3.640 3.805 . 0 0 "[ . 1 . 2]" 1 1557 1 69 ALA MB 1 73 ARG QD . . 4.900 4.423 3.669 4.894 . 0 0 "[ . 1 . 2]" 1 1558 1 70 ASN H 1 70 ASN HB2 . . 3.380 2.659 2.501 2.756 . 0 0 "[ . 1 . 2]" 1 1559 1 70 ASN H 1 70 ASN HB3 . . 3.700 3.586 3.569 3.597 . 0 0 "[ . 1 . 2]" 1 1560 1 70 ASN H 1 70 ASN QD . . 4.320 3.649 3.465 3.775 . 0 0 "[ . 1 . 2]" 1 1561 1 70 ASN H 1 72 ASP H . . 4.550 4.157 4.015 4.295 . 0 0 "[ . 1 . 2]" 1 1562 1 70 ASN HA 1 70 ASN HD22 . . 4.980 4.782 4.690 4.847 . 0 0 "[ . 1 . 2]" 1 1563 1 70 ASN HA 1 72 ASP H . . 4.970 4.132 4.003 4.256 . 0 0 "[ . 1 . 2]" 1 1564 1 70 ASN HA 1 73 ARG H . . 4.400 3.492 3.252 3.742 . 0 0 "[ . 1 . 2]" 1 1565 1 70 ASN HA 1 73 ARG QB . . 4.320 3.664 3.254 4.182 . 0 0 "[ . 1 . 2]" 1 1566 1 70 ASN HA 1 73 ARG QD . . 3.890 3.136 2.253 3.850 . 0 0 "[ . 1 . 2]" 1 1567 1 70 ASN HA 1 73 ARG HG2 . . 4.990 3.149 1.996 3.946 . 0 0 "[ . 1 . 2]" 1 1568 1 70 ASN HA 1 73 ARG QG . . 4.260 2.100 1.949 2.254 . 0 0 "[ . 1 . 2]" 1 1569 1 70 ASN HA 1 73 ARG HG3 . . 4.990 2.420 2.013 3.042 . 0 0 "[ . 1 . 2]" 1 1570 1 70 ASN HA 1 74 ALA H . . 4.890 3.861 3.700 4.065 . 0 0 "[ . 1 . 2]" 1 1571 1 70 ASN HB2 1 70 ASN QD . . 3.440 2.402 2.226 2.547 . 0 0 "[ . 1 . 2]" 1 1572 1 70 ASN HB2 1 70 ASN HD22 . . 3.980 3.565 3.487 3.632 . 0 0 "[ . 1 . 2]" 1 1573 1 70 ASN HB2 1 71 LEU H . . 4.070 2.552 2.328 2.908 . 0 0 "[ . 1 . 2]" 1 1574 1 70 ASN HB2 1 71 LEU MD2 . . 4.760 3.778 3.591 4.011 . 0 0 "[ . 1 . 2]" 1 1575 1 70 ASN HB2 1 74 ALA MB . . 4.740 4.480 4.204 4.667 . 0 0 "[ . 1 . 2]" 1 1576 1 70 ASN HB3 1 70 ASN HD22 . . 4.050 3.656 3.584 3.763 . 0 0 "[ . 1 . 2]" 1 1577 1 70 ASN HB3 1 71 LEU H . . 4.450 3.760 3.500 4.064 . 0 0 "[ . 1 . 2]" 1 1578 1 70 ASN HB3 1 71 LEU HA . . 5.080 4.627 4.395 4.806 . 0 0 "[ . 1 . 2]" 1 1579 1 70 ASN HB3 1 71 LEU MD2 . . 5.010 4.808 4.642 4.967 . 0 0 "[ . 1 . 2]" 1 1580 1 71 LEU H 1 71 LEU HB2 . . 3.460 2.656 2.593 2.696 . 0 0 "[ . 1 . 2]" 1 1581 1 71 LEU H 1 71 LEU HB3 . . 3.680 3.584 3.576 3.593 . 0 0 "[ . 1 . 2]" 1 1582 1 71 LEU H 1 71 LEU MD1 . . 3.630 3.389 3.311 3.471 . 0 0 "[ . 1 . 2]" 1 1583 1 71 LEU H 1 71 LEU MD2 . . 3.780 3.241 3.118 3.375 . 0 0 "[ . 1 . 2]" 1 1584 1 71 LEU H 1 71 LEU HG . . 3.320 1.957 1.903 2.059 . 0 0 "[ . 1 . 2]" 1 1585 1 71 LEU H 1 72 ASP H . . 3.380 2.782 2.540 2.957 . 0 0 "[ . 1 . 2]" 1 1586 1 71 LEU HA 1 71 LEU MD1 . . 4.160 3.943 3.905 3.973 . 0 0 "[ . 1 . 2]" 1 1587 1 71 LEU HA 1 71 LEU MD2 . . 3.140 2.375 2.148 2.478 . 0 0 "[ . 1 . 2]" 1 1588 1 71 LEU HA 1 71 LEU HG . . 4.040 3.080 3.018 3.123 . 0 0 "[ . 1 . 2]" 1 1589 1 71 LEU HA 1 73 ARG H . . 5.260 4.823 4.404 5.167 . 0 0 "[ . 1 . 2]" 1 1590 1 71 LEU HA 1 74 ALA H . . 4.060 3.802 3.623 3.970 . 0 0 "[ . 1 . 2]" 1 1591 1 71 LEU HA 1 74 ALA MB . . 3.430 2.803 2.466 3.029 . 0 0 "[ . 1 . 2]" 1 1592 1 71 LEU HA 1 75 LYS H . . 4.500 3.339 3.144 3.462 . 0 0 "[ . 1 . 2]" 1 1593 1 71 LEU HB2 1 71 LEU MD1 . . 3.120 2.138 2.047 2.306 . 0 0 "[ . 1 . 2]" 1 1594 1 71 LEU HB2 1 71 LEU MD2 . . 3.620 3.163 3.149 3.176 . 0 0 "[ . 1 . 2]" 1 1595 1 71 LEU HB2 1 72 ASP H . . 3.750 2.664 2.513 2.846 . 0 0 "[ . 1 . 2]" 1 1596 1 71 LEU HB3 1 71 LEU MD1 . . 3.340 2.492 2.368 2.588 . 0 0 "[ . 1 . 2]" 1 1597 1 71 LEU HB3 1 71 LEU MD2 . . 3.280 2.158 2.110 2.252 . 0 0 "[ . 1 . 2]" 1 1598 1 71 LEU HB3 1 72 ASP H . . 4.060 3.803 3.657 3.950 . 0 0 "[ . 1 . 2]" 1 1599 1 71 LEU HB3 1 72 ASP HA . . 4.830 4.563 4.435 4.665 . 0 0 "[ . 1 . 2]" 1 1600 1 71 LEU HB3 1 75 LYS H . . 5.200 4.535 4.322 4.697 . 0 0 "[ . 1 . 2]" 1 1601 1 71 LEU HB3 1 75 LYS HB2 . . 4.440 3.815 3.563 3.940 . 0 0 "[ . 1 . 2]" 1 1602 1 71 LEU MD1 1 72 ASP H . . 4.510 4.351 4.164 4.501 . 0 0 "[ . 1 . 2]" 1 1603 1 71 LEU MD2 1 72 ASP H . . 4.780 4.751 4.691 4.781 0.001 13 0 "[ . 1 . 2]" 1 1604 1 71 LEU HG 1 72 ASP H . . 4.420 4.190 4.105 4.278 . 0 0 "[ . 1 . 2]" 1 1605 1 72 ASP H 1 72 ASP HB2 . . 3.170 2.201 2.181 2.237 . 0 0 "[ . 1 . 2]" 1 1606 1 72 ASP H 1 72 ASP HB3 . . 3.590 3.505 3.488 3.526 . 0 0 "[ . 1 . 2]" 1 1607 1 72 ASP H 1 73 ARG H . . 3.420 2.799 2.626 2.920 . 0 0 "[ . 1 . 2]" 1 1608 1 72 ASP H 1 74 ALA H . . 4.410 4.205 3.699 4.412 0.002 2 0 "[ . 1 . 2]" 1 1609 1 72 ASP H 1 75 LYS H . . 4.880 4.665 4.435 4.824 . 0 0 "[ . 1 . 2]" 1 1610 1 72 ASP HA 1 74 ALA H . . 5.000 4.768 4.197 4.999 . 0 0 "[ . 1 . 2]" 1 1611 1 72 ASP HA 1 75 LYS H . . 4.310 4.037 3.701 4.237 . 0 0 "[ . 1 . 2]" 1 1612 1 72 ASP HA 1 75 LYS HB2 . . 4.430 4.003 3.872 4.123 . 0 0 "[ . 1 . 2]" 1 1613 1 72 ASP HA 1 75 LYS HB3 . . 3.700 3.049 2.833 3.280 . 0 0 "[ . 1 . 2]" 1 1614 1 72 ASP HA 1 75 LYS QD . . 4.380 3.707 3.350 3.983 . 0 0 "[ . 1 . 2]" 1 1615 1 72 ASP HA 1 76 ALA H . . 4.410 4.024 3.759 4.244 . 0 0 "[ . 1 . 2]" 1 1616 1 72 ASP HA 1 76 ALA MB . . 4.770 4.318 4.057 4.514 . 0 0 "[ . 1 . 2]" 1 1617 1 72 ASP HB2 1 73 ARG H . . 3.610 2.562 2.417 2.760 . 0 0 "[ . 1 . 2]" 1 1618 1 72 ASP HB2 1 73 ARG HA . . 4.940 4.683 4.622 4.720 . 0 0 "[ . 1 . 2]" 1 1619 1 72 ASP HB2 1 73 ARG QB . . 5.380 4.785 4.415 5.030 . 0 0 "[ . 1 . 2]" 1 1620 1 72 ASP HB2 1 73 ARG QG . . 5.340 3.495 3.198 3.963 . 0 0 "[ . 1 . 2]" 1 1621 1 72 ASP HB3 1 73 ARG H . . 3.700 2.986 2.731 3.262 . 0 0 "[ . 1 . 2]" 1 1622 1 72 ASP HB3 1 73 ARG HA . . 4.460 3.965 3.875 4.066 . 0 0 "[ . 1 . 2]" 1 1623 1 72 ASP HB3 1 73 ARG QB . . 5.500 4.792 4.304 5.116 . 0 0 "[ . 1 . 2]" 1 1624 1 72 ASP HB3 1 73 ARG QG . . 5.340 3.915 3.462 4.616 . 0 0 "[ . 1 . 2]" 1 1625 1 73 ARG H 1 73 ARG QB . . 3.070 2.711 2.540 2.808 . 0 0 "[ . 1 . 2]" 1 1626 1 73 ARG H 1 73 ARG QD . . 4.260 3.877 3.699 4.062 . 0 0 "[ . 1 . 2]" 1 1627 1 73 ARG H 1 73 ARG HG2 . . 3.840 2.053 1.900 2.213 . 0 0 "[ . 1 . 2]" 1 1628 1 73 ARG H 1 73 ARG HG3 . . 3.840 2.495 2.095 3.210 . 0 0 "[ . 1 . 2]" 1 1629 1 73 ARG H 1 74 ALA MB . . 4.470 4.371 4.239 4.460 . 0 0 "[ . 1 . 2]" 1 1630 1 73 ARG H 1 75 LYS H . . 4.740 4.498 4.327 4.637 . 0 0 "[ . 1 . 2]" 1 1631 1 73 ARG H 1 76 ALA H . . 5.280 4.757 4.684 4.824 . 0 0 "[ . 1 . 2]" 1 1632 1 73 ARG H 1 76 ALA MB . . 4.760 4.557 4.425 4.627 . 0 0 "[ . 1 . 2]" 1 1633 1 73 ARG HA 1 73 ARG QD . . 4.520 4.095 3.711 4.466 . 0 0 "[ . 1 . 2]" 1 1634 1 73 ARG HA 1 73 ARG HG2 . . 3.770 3.151 2.775 3.722 . 0 0 "[ . 1 . 2]" 1 1635 1 73 ARG HA 1 73 ARG HG3 . . 3.770 3.745 3.710 3.804 0.034 17 0 "[ . 1 . 2]" 1 1636 1 73 ARG HA 1 76 ALA H . . 3.860 3.785 3.646 3.858 . 0 0 "[ . 1 . 2]" 1 1637 1 73 ARG HA 1 76 ALA MB . . 3.250 2.739 2.613 2.928 . 0 0 "[ . 1 . 2]" 1 1638 1 73 ARG HA 1 77 GLY H . . 4.750 4.621 4.437 4.746 . 0 0 "[ . 1 . 2]" 1 1639 1 73 ARG QB 1 73 ARG QD . . 3.110 2.165 2.008 2.421 . 0 0 "[ . 1 . 2]" 1 1640 1 73 ARG QB 1 74 ALA H . . 3.540 2.690 2.209 3.527 . 0 0 "[ . 1 . 2]" 1 1641 1 73 ARG QB 1 74 ALA HA . . 5.280 3.899 3.700 4.330 . 0 0 "[ . 1 . 2]" 1 1642 1 73 ARG QD 1 74 ALA H . . 4.990 4.408 3.792 4.968 . 0 0 "[ . 1 . 2]" 1 1643 1 73 ARG QG 1 74 ALA H . . 3.630 2.791 1.859 3.346 . 0 0 "[ . 1 . 2]" 1 1644 1 73 ARG HG2 1 74 ALA H . . 4.220 3.663 2.643 4.231 0.011 2 0 "[ . 1 . 2]" 1 1645 1 73 ARG HG3 1 74 ALA H . . 4.220 2.904 1.900 3.508 . 0 0 "[ . 1 . 2]" 1 1646 1 74 ALA H 1 74 ALA MB . . 3.050 2.102 2.025 2.266 . 0 0 "[ . 1 . 2]" 1 1647 1 74 ALA H 1 75 LYS H . . 3.410 2.873 2.581 3.007 . 0 0 "[ . 1 . 2]" 1 1648 1 74 ALA H 1 75 LYS HB3 . . 5.290 5.021 4.775 5.251 . 0 0 "[ . 1 . 2]" 1 1649 1 74 ALA H 1 76 ALA H . . 4.450 4.081 3.743 4.329 . 0 0 "[ . 1 . 2]" 1 1650 1 74 ALA H 1 77 GLY H . . 5.110 4.855 4.710 4.951 . 0 0 "[ . 1 . 2]" 1 1651 1 74 ALA HA 1 76 ALA H . . 5.280 4.307 4.105 4.632 . 0 0 "[ . 1 . 2]" 1 1652 1 74 ALA HA 1 77 GLY H . . 4.210 3.432 3.324 3.564 . 0 0 "[ . 1 . 2]" 1 1653 1 74 ALA HA 1 77 GLY HA3 . . 5.150 4.039 3.762 4.301 . 0 0 "[ . 1 . 2]" 1 1654 1 74 ALA HA 1 78 LEU H . . 4.620 4.465 4.216 4.620 . 12 0 "[ . 1 . 2]" 1 1655 1 74 ALA MB 1 75 LYS H . . 3.340 2.266 2.130 2.438 . 0 0 "[ . 1 . 2]" 1 1656 1 74 ALA MB 1 75 LYS HA . . 3.790 3.637 3.564 3.771 . 0 0 "[ . 1 . 2]" 1 1657 1 74 ALA MB 1 75 LYS HB2 . . 4.730 3.898 3.806 4.017 . 0 0 "[ . 1 . 2]" 1 1658 1 74 ALA MB 1 75 LYS HB3 . . 4.700 4.564 4.483 4.651 . 0 0 "[ . 1 . 2]" 1 1659 1 75 LYS H 1 75 LYS HB2 . . 3.250 2.391 2.283 2.478 . 0 0 "[ . 1 . 2]" 1 1660 1 75 LYS H 1 75 LYS HB3 . . 3.230 2.677 2.566 2.820 . 0 0 "[ . 1 . 2]" 1 1661 1 75 LYS H 1 75 LYS QD . . 4.620 4.394 4.363 4.433 . 0 0 "[ . 1 . 2]" 1 1662 1 75 LYS H 1 75 LYS QG . . 4.240 3.944 3.894 3.967 . 0 0 "[ . 1 . 2]" 1 1663 1 75 LYS H 1 76 ALA H . . 3.470 2.842 2.691 2.933 . 0 0 "[ . 1 . 2]" 1 1664 1 75 LYS H 1 77 GLY H . . 4.810 4.265 3.956 4.412 . 0 0 "[ . 1 . 2]" 1 1665 1 75 LYS HA 1 75 LYS QD . . 4.500 4.039 3.992 4.077 . 0 0 "[ . 1 . 2]" 1 1666 1 75 LYS HA 1 75 LYS QE . . 4.870 4.673 4.587 4.855 . 0 0 "[ . 1 . 2]" 1 1667 1 75 LYS HA 1 75 LYS HG2 . . 3.960 2.950 2.771 3.071 . 0 0 "[ . 1 . 2]" 1 1668 1 75 LYS HA 1 75 LYS QG . . 3.410 2.443 2.379 2.495 . 0 0 "[ . 1 . 2]" 1 1669 1 75 LYS HA 1 75 LYS HG3 . . 3.960 2.612 2.521 2.723 . 0 0 "[ . 1 . 2]" 1 1670 1 75 LYS HA 1 77 GLY H . . 4.370 4.223 3.772 4.359 . 0 0 "[ . 1 . 2]" 1 1671 1 75 LYS HA 1 78 LEU H . . 4.000 3.506 3.334 3.686 . 0 0 "[ . 1 . 2]" 1 1672 1 75 LYS HA 1 78 LEU HB2 . . 4.080 3.488 3.339 3.576 . 0 0 "[ . 1 . 2]" 1 1673 1 75 LYS HA 1 78 LEU QB . . 3.580 3.010 2.868 3.172 . 0 0 "[ . 1 . 2]" 1 1674 1 75 LYS HA 1 78 LEU HB3 . . 4.080 3.301 3.058 3.591 . 0 0 "[ . 1 . 2]" 1 1675 1 75 LYS HA 1 78 LEU MD1 . . 5.280 5.184 5.030 5.266 . 0 0 "[ . 1 . 2]" 1 1676 1 75 LYS HA 1 78 LEU MD2 . . 4.380 3.794 3.542 4.073 . 0 0 "[ . 1 . 2]" 1 1677 1 75 LYS HA 1 79 LEU H . . 4.640 3.946 3.822 4.106 . 0 0 "[ . 1 . 2]" 1 1678 1 75 LYS HA 1 79 LEU MD1 . . 4.920 4.419 4.231 4.596 . 0 0 "[ . 1 . 2]" 1 1679 1 75 LYS HA 1 79 LEU HG . . 4.890 4.109 4.022 4.211 . 0 0 "[ . 1 . 2]" 1 1680 1 75 LYS HB2 1 76 ALA H . . 3.950 3.840 3.716 3.946 . 0 0 "[ . 1 . 2]" 1 1681 1 75 LYS HB2 1 79 LEU MD1 . . 5.500 4.706 4.634 4.801 . 0 0 "[ . 1 . 2]" 1 1682 1 75 LYS HB3 1 75 LYS QD . . 3.390 2.264 2.151 2.377 . 0 0 "[ . 1 . 2]" 1 1683 1 75 LYS HB3 1 75 LYS QE . . 3.960 3.821 3.630 3.960 . 12 0 "[ . 1 . 2]" 1 1684 1 75 LYS HB3 1 76 ALA H . . 3.480 2.625 2.421 2.840 . 0 0 "[ . 1 . 2]" 1 1685 1 75 LYS HB3 1 77 GLY H . . 5.380 5.001 4.634 5.236 . 0 0 "[ . 1 . 2]" 1 1686 1 75 LYS HB3 1 79 LEU MD1 . . 3.900 3.822 3.627 3.900 . 8 0 "[ . 1 . 2]" 1 1687 1 75 LYS QD 1 76 ALA H . . 4.960 4.484 4.229 4.666 . 0 0 "[ . 1 . 2]" 1 1688 1 75 LYS QD 1 76 ALA HA . . 5.140 5.035 4.751 5.140 . 20 0 "[ . 1 . 2]" 1 1689 1 75 LYS QD 1 79 LEU MD1 . . 3.600 3.259 2.941 3.463 . 0 0 "[ . 1 . 2]" 1 1690 1 75 LYS QE 1 75 LYS HG2 . . 3.530 2.298 2.199 2.473 . 0 0 "[ . 1 . 2]" 1 1691 1 75 LYS QE 1 75 LYS HG3 . . 3.530 2.559 2.297 2.923 . 0 0 "[ . 1 . 2]" 1 1692 1 75 LYS QE 1 79 LEU MD1 . . 3.100 2.102 1.872 2.311 . 0 0 "[ . 1 . 2]" 1 1693 1 75 LYS QE 1 79 LEU MD2 . . 4.060 2.995 2.748 3.337 . 0 0 "[ . 1 . 2]" 1 1694 1 75 LYS QE 1 79 LEU HG . . 5.140 3.426 3.117 3.772 . 0 0 "[ . 1 . 2]" 1 1695 1 75 LYS QG 1 76 ALA HA . . 4.930 3.847 3.569 4.086 . 0 0 "[ . 1 . 2]" 1 1696 1 75 LYS QG 1 79 LEU H . . 5.190 3.869 3.665 4.065 . 0 0 "[ . 1 . 2]" 1 1697 1 75 LYS QG 1 79 LEU MD1 . . 3.210 2.087 1.963 2.234 . 0 0 "[ . 1 . 2]" 1 1698 1 75 LYS QG 1 79 LEU MD2 . . 4.260 3.447 3.287 3.592 . 0 0 "[ . 1 . 2]" 1 1699 1 75 LYS QG 1 79 LEU HG . . 4.240 2.582 2.378 2.824 . 0 0 "[ . 1 . 2]" 1 1700 1 75 LYS HG2 1 76 ALA H . . 5.070 3.957 3.613 4.156 . 0 0 "[ . 1 . 2]" 1 1701 1 75 LYS HG2 1 79 LEU MD1 . . 3.800 2.102 1.977 2.250 . 0 0 "[ . 1 . 2]" 1 1702 1 75 LYS HG3 1 76 ALA H . . 5.070 4.903 4.690 5.059 . 0 0 "[ . 1 . 2]" 1 1703 1 75 LYS HG3 1 79 LEU MD1 . . 3.800 3.533 3.319 3.795 . 0 0 "[ . 1 . 2]" 1 1704 1 76 ALA H 1 76 ALA MB . . 2.950 2.118 2.025 2.237 . 0 0 "[ . 1 . 2]" 1 1705 1 76 ALA H 1 77 GLY H . . 3.480 2.687 2.598 2.794 . 0 0 "[ . 1 . 2]" 1 1706 1 76 ALA H 1 78 LEU H . . 4.750 4.378 4.162 4.620 . 0 0 "[ . 1 . 2]" 1 1707 1 76 ALA H 1 79 LEU H . . 5.180 5.049 4.906 5.158 . 0 0 "[ . 1 . 2]" 1 1708 1 76 ALA H 1 79 LEU MD1 . . 4.840 4.334 3.997 4.570 . 0 0 "[ . 1 . 2]" 1 1709 1 76 ALA HA 1 78 LEU H . . 5.220 4.653 4.376 4.999 . 0 0 "[ . 1 . 2]" 1 1710 1 76 ALA HA 1 79 LEU H . . 4.350 3.970 3.751 4.141 . 0 0 "[ . 1 . 2]" 1 1711 1 76 ALA HA 1 79 LEU HB2 . . 3.720 2.998 2.776 3.211 . 0 0 "[ . 1 . 2]" 1 1712 1 76 ALA HA 1 79 LEU MD1 . . 3.700 2.779 2.163 3.131 . 0 0 "[ . 1 . 2]" 1 1713 1 76 ALA HA 1 79 LEU HG . . 4.330 4.062 3.712 4.296 . 0 0 "[ . 1 . 2]" 1 1714 1 76 ALA HA 1 80 GLU H . . 4.780 4.208 3.940 4.408 . 0 0 "[ . 1 . 2]" 1 1715 1 76 ALA MB 1 77 GLY H . . 3.410 2.712 2.555 2.983 . 0 0 "[ . 1 . 2]" 1 1716 1 76 ALA MB 1 77 GLY HA2 . . 4.730 3.786 3.686 3.887 . 0 0 "[ . 1 . 2]" 1 1717 1 76 ALA MB 1 77 GLY HA3 . . 4.920 4.233 4.135 4.322 . 0 0 "[ . 1 . 2]" 1 1718 1 77 GLY H 1 78 LEU H . . 3.510 2.676 2.456 2.831 . 0 0 "[ . 1 . 2]" 1 1719 1 77 GLY H 1 78 LEU QB . . 5.340 4.384 4.205 4.503 . 0 0 "[ . 1 . 2]" 1 1720 1 77 GLY H 1 79 LEU H . . 4.710 4.412 4.080 4.611 . 0 0 "[ . 1 . 2]" 1 1721 1 77 GLY HA2 1 80 GLU H . . 4.140 3.901 3.734 3.981 . 0 0 "[ . 1 . 2]" 1 1722 1 77 GLY HA2 1 80 GLU HB2 . . 4.180 3.109 2.822 3.302 . 0 0 "[ . 1 . 2]" 1 1723 1 77 GLY HA2 1 80 GLU QG . . 4.460 4.126 3.698 4.455 . 0 0 "[ . 1 . 2]" 1 1724 1 77 GLY HA3 1 80 GLU H . . 5.050 5.011 4.830 5.052 0.002 18 0 "[ . 1 . 2]" 1 1725 1 77 GLY HA3 1 80 GLU HB2 . . 4.830 4.677 4.382 4.821 . 0 0 "[ . 1 . 2]" 1 1726 1 77 GLY HA3 1 81 ARG HB2 . . 5.050 4.882 4.681 5.049 . 0 0 "[ . 1 . 2]" 1 1727 1 78 LEU H 1 78 LEU HB2 . . 3.310 2.277 2.198 2.387 . 0 0 "[ . 1 . 2]" 1 1728 1 78 LEU H 1 78 LEU HB3 . . 3.310 2.766 2.653 2.865 . 0 0 "[ . 1 . 2]" 1 1729 1 78 LEU H 1 78 LEU MD1 . . 4.040 3.774 3.544 3.958 . 0 0 "[ . 1 . 2]" 1 1730 1 78 LEU H 1 78 LEU MD2 . . 4.620 4.218 4.168 4.265 . 0 0 "[ . 1 . 2]" 1 1731 1 78 LEU H 1 78 LEU HG . . 4.610 4.554 4.532 4.589 . 0 0 "[ . 1 . 2]" 1 1732 1 78 LEU H 1 79 LEU H . . 3.540 2.830 2.667 2.996 . 0 0 "[ . 1 . 2]" 1 1733 1 78 LEU H 1 80 GLU H . . 5.420 4.333 4.102 4.737 . 0 0 "[ . 1 . 2]" 1 1734 1 78 LEU H 1 81 ARG H . . 5.070 4.630 4.543 4.846 . 0 0 "[ . 1 . 2]" 1 1735 1 78 LEU H 1 81 ARG HB2 . . 4.900 4.744 4.576 4.890 . 0 0 "[ . 1 . 2]" 1 1736 1 78 LEU HA 1 78 LEU MD1 . . 3.240 2.055 1.964 2.212 . 0 0 "[ . 1 . 2]" 1 1737 1 78 LEU HA 1 78 LEU MD2 . . 4.220 3.844 3.783 3.878 . 0 0 "[ . 1 . 2]" 1 1738 1 78 LEU HA 1 78 LEU HG . . 4.230 2.884 2.778 3.064 . 0 0 "[ . 1 . 2]" 1 1739 1 78 LEU HA 1 80 GLU H . . 5.100 4.537 4.303 4.893 . 0 0 "[ . 1 . 2]" 1 1740 1 78 LEU HA 1 81 ARG H . . 3.800 3.313 3.169 3.613 . 0 0 "[ . 1 . 2]" 1 1741 1 78 LEU HA 1 81 ARG HB2 . . 3.670 2.682 2.546 2.813 . 0 0 "[ . 1 . 2]" 1 1742 1 78 LEU HA 1 81 ARG HB3 . . 3.710 2.839 2.646 3.147 . 0 0 "[ . 1 . 2]" 1 1743 1 78 LEU HA 1 81 ARG HD2 . . 5.500 5.349 5.160 5.483 . 0 0 "[ . 1 . 2]" 1 1744 1 78 LEU HA 1 81 ARG HD3 . . 4.600 4.440 4.232 4.587 . 0 0 "[ . 1 . 2]" 1 1745 1 78 LEU HA 1 81 ARG HG2 . . 4.820 4.137 3.951 4.393 . 0 0 "[ . 1 . 2]" 1 1746 1 78 LEU HA 1 81 ARG HG3 . . 5.500 5.149 4.937 5.388 . 0 0 "[ . 1 . 2]" 1 1747 1 78 LEU HA 1 82 VAL H . . 4.490 4.174 3.903 4.495 0.005 11 0 "[ . 1 . 2]" 1 1748 1 78 LEU QB 1 78 LEU MD1 . . 3.040 2.251 2.173 2.315 . 0 0 "[ . 1 . 2]" 1 1749 1 78 LEU QB 1 79 LEU H . . 3.550 2.203 2.049 2.359 . 0 0 "[ . 1 . 2]" 1 1750 1 78 LEU QB 1 82 VAL MG2 . . 4.800 3.996 3.651 4.422 . 0 0 "[ . 1 . 2]" 1 1751 1 78 LEU HB2 1 78 LEU MD1 . . 3.670 2.302 2.212 2.378 . 0 0 "[ . 1 . 2]" 1 1752 1 78 LEU HB2 1 79 LEU H . . 4.340 3.497 3.360 3.595 . 0 0 "[ . 1 . 2]" 1 1753 1 78 LEU HB3 1 78 LEU MD1 . . 3.670 3.187 3.177 3.195 . 0 0 "[ . 1 . 2]" 1 1754 1 78 LEU HB3 1 79 LEU H . . 4.340 2.228 2.064 2.396 . 0 0 "[ . 1 . 2]" 1 1755 1 78 LEU MD1 1 79 LEU H . . 5.010 4.546 4.406 4.672 . 0 0 "[ . 1 . 2]" 1 1756 1 78 LEU MD1 1 81 ARG H . . 4.930 4.690 4.324 4.899 . 0 0 "[ . 1 . 2]" 1 1757 1 78 LEU MD1 1 81 ARG HB2 . . 3.840 3.695 3.491 3.837 . 0 0 "[ . 1 . 2]" 1 1758 1 78 LEU MD1 1 81 ARG HB3 . . 4.990 3.120 2.665 3.398 . 0 0 "[ . 1 . 2]" 1 1759 1 78 LEU MD1 1 81 ARG HD3 . . 5.290 4.738 4.499 5.058 . 0 0 "[ . 1 . 2]" 1 1760 1 78 LEU MD1 1 82 VAL H . . 5.390 4.635 4.123 4.934 . 0 0 "[ . 1 . 2]" 1 1761 1 78 LEU MD1 1 82 VAL MG2 . . 3.640 3.376 2.877 3.640 . 0 0 "[ . 1 . 2]" 1 1762 1 78 LEU MD2 1 79 LEU H . . 4.790 4.064 3.870 4.307 . 0 0 "[ . 1 . 2]" 1 1763 1 78 LEU HG 1 79 LEU H . . 4.990 3.954 3.672 4.190 . 0 0 "[ . 1 . 2]" 1 1764 1 78 LEU HG 1 79 LEU HA . . 4.670 4.215 3.940 4.455 . 0 0 "[ . 1 . 2]" 1 1765 1 78 LEU HG 1 81 ARG H . . 5.500 5.122 4.943 5.499 . 0 0 "[ . 1 . 2]" 1 1766 1 78 LEU HG 1 81 ARG HB2 . . 5.130 4.985 4.872 5.130 0.000 10 0 "[ . 1 . 2]" 1 1767 1 78 LEU HG 1 81 ARG HB3 . . 5.070 4.080 3.799 4.302 . 0 0 "[ . 1 . 2]" 1 1768 1 78 LEU HG 1 82 VAL H . . 5.180 4.424 4.055 4.764 . 0 0 "[ . 1 . 2]" 1 1769 1 78 LEU HG 1 82 VAL HB . . 5.370 4.939 4.448 5.368 . 0 0 "[ . 1 . 2]" 1 1770 1 78 LEU HG 1 82 VAL MG2 . . 3.540 2.686 2.341 3.084 . 0 0 "[ . 1 . 2]" 1 1771 1 79 LEU H 1 79 LEU HB2 . . 3.250 2.462 2.392 2.533 . 0 0 "[ . 1 . 2]" 1 1772 1 79 LEU H 1 79 LEU HB3 . . 3.790 3.590 3.574 3.606 . 0 0 "[ . 1 . 2]" 1 1773 1 79 LEU H 1 79 LEU MD1 . . 4.070 3.551 3.399 3.719 . 0 0 "[ . 1 . 2]" 1 1774 1 79 LEU H 1 79 LEU MD2 . . 3.550 3.486 3.309 3.550 0.000 1 0 "[ . 1 . 2]" 1 1775 1 79 LEU H 1 79 LEU HG . . 3.230 2.317 2.205 2.447 . 0 0 "[ . 1 . 2]" 1 1776 1 79 LEU H 1 80 GLU H . . 3.320 2.981 2.874 3.097 . 0 0 "[ . 1 . 2]" 1 1777 1 79 LEU H 1 81 ARG H . . 5.360 4.127 3.961 4.322 . 0 0 "[ . 1 . 2]" 1 1778 1 79 LEU HA 1 79 LEU MD1 . . 3.900 3.868 3.828 3.894 . 0 0 "[ . 1 . 2]" 1 1779 1 79 LEU HA 1 79 LEU MD2 . . 2.970 2.103 1.976 2.369 . 0 0 "[ . 1 . 2]" 1 1780 1 79 LEU HA 1 79 LEU HG . . 3.730 2.923 2.857 2.998 . 0 0 "[ . 1 . 2]" 1 1781 1 79 LEU HA 1 81 ARG H . . 5.070 4.367 4.070 4.575 . 0 0 "[ . 1 . 2]" 1 1782 1 79 LEU HA 1 82 VAL H . . 3.850 3.606 3.468 3.762 . 0 0 "[ . 1 . 2]" 1 1783 1 79 LEU HA 1 82 VAL HB . . 3.400 3.151 2.936 3.366 . 0 0 "[ . 1 . 2]" 1 1784 1 79 LEU HA 1 82 VAL MG2 . . 3.620 3.065 2.847 3.290 . 0 0 "[ . 1 . 2]" 1 1785 1 79 LEU HA 1 83 LYS H . . 4.540 4.364 4.129 4.543 0.003 18 0 "[ . 1 . 2]" 1 1786 1 79 LEU HB2 1 79 LEU MD1 . . 3.230 2.223 2.126 2.315 . 0 0 "[ . 1 . 2]" 1 1787 1 79 LEU HB2 1 80 GLU H . . 3.750 2.445 2.226 2.612 . 0 0 "[ . 1 . 2]" 1 1788 1 79 LEU HB3 1 79 LEU MD1 . . 3.210 2.425 2.320 2.526 . 0 0 "[ . 1 . 2]" 1 1789 1 79 LEU HB3 1 79 LEU MD2 . . 3.160 2.282 2.130 2.353 . 0 0 "[ . 1 . 2]" 1 1790 1 79 LEU HB3 1 80 GLU H . . 3.930 3.315 3.063 3.459 . 0 0 "[ . 1 . 2]" 1 1791 1 79 LEU HB3 1 80 GLU HA . . 4.250 4.190 4.087 4.244 . 0 0 "[ . 1 . 2]" 1 1792 1 79 LEU HB3 1 80 GLU QG . . 5.010 4.131 3.856 4.384 . 0 0 "[ . 1 . 2]" 1 1793 1 79 LEU HB3 1 81 ARG H . . 5.500 5.337 5.133 5.495 . 0 0 "[ . 1 . 2]" 1 1794 1 79 LEU MD1 1 80 GLU H . . 4.910 4.298 4.045 4.516 . 0 0 "[ . 1 . 2]" 1 1795 1 79 LEU MD2 1 80 GLU H . . 4.690 4.644 4.521 4.690 . 6 0 "[ . 1 . 2]" 1 1796 1 79 LEU HG 1 80 GLU H . . 4.600 4.457 4.359 4.540 . 0 0 "[ . 1 . 2]" 1 1797 1 80 GLU H 1 80 GLU HB2 . . 3.190 2.333 2.228 2.447 . 0 0 "[ . 1 . 2]" 1 1798 1 80 GLU H 1 80 GLU HB3 . . 3.590 3.558 3.519 3.591 0.001 10 0 "[ . 1 . 2]" 1 1799 1 80 GLU H 1 80 GLU HG2 . . 3.980 3.410 2.326 3.917 . 0 0 "[ . 1 . 2]" 1 1800 1 80 GLU H 1 80 GLU QG . . 3.390 2.542 2.270 2.798 . 0 0 "[ . 1 . 2]" 1 1801 1 80 GLU H 1 80 GLU HG3 . . 3.980 2.781 2.305 3.838 . 0 0 "[ . 1 . 2]" 1 1802 1 80 GLU H 1 81 ARG H . . 3.370 2.623 2.506 2.892 . 0 0 "[ . 1 . 2]" 1 1803 1 80 GLU HA 1 80 GLU HG2 . . 3.870 2.442 2.183 3.202 . 0 0 "[ . 1 . 2]" 1 1804 1 80 GLU HA 1 80 GLU QG . . 3.110 2.341 2.146 3.002 . 0 0 "[ . 1 . 2]" 1 1805 1 80 GLU HA 1 80 GLU HG3 . . 3.870 3.152 2.509 3.752 . 0 0 "[ . 1 . 2]" 1 1806 1 80 GLU HA 1 82 VAL H . . 4.520 4.235 4.081 4.365 . 0 0 "[ . 1 . 2]" 1 1807 1 80 GLU HA 1 83 LYS H . . 3.700 3.452 3.134 3.690 . 0 0 "[ . 1 . 2]" 1 1808 1 80 GLU HA 1 83 LYS QB . . 2.970 2.748 2.409 2.949 . 0 0 "[ . 1 . 2]" 1 1809 1 80 GLU HA 1 83 LYS QD . . 3.630 2.595 1.990 3.639 0.009 11 0 "[ . 1 . 2]" 1 1810 1 80 GLU HA 1 83 LYS QE . . 4.240 3.857 1.988 4.228 . 0 0 "[ . 1 . 2]" 1 1811 1 80 GLU HB2 1 81 ARG H . . 3.250 2.821 2.579 3.048 . 0 0 "[ . 1 . 2]" 1 1812 1 80 GLU HB2 1 81 ARG HA . . 4.670 4.495 4.313 4.669 . 0 0 "[ . 1 . 2]" 1 1813 1 80 GLU QG 1 81 ARG H . . 4.480 4.255 4.084 4.396 . 0 0 "[ . 1 . 2]" 1 1814 1 80 GLU HG2 1 81 ARG H . . 5.180 4.951 4.390 5.179 . 0 0 "[ . 1 . 2]" 1 1815 1 80 GLU HG2 1 83 LYS QD . . 5.220 3.737 3.135 4.835 . 0 0 "[ . 1 . 2]" 1 1816 1 80 GLU HG3 1 81 ARG H . . 5.180 4.676 4.349 5.122 . 0 0 "[ . 1 . 2]" 1 1817 1 80 GLU HG3 1 83 LYS QD . . 5.220 4.648 4.122 5.223 0.003 18 0 "[ . 1 . 2]" 1 1818 1 81 ARG H 1 81 ARG HB2 . . 3.150 2.231 2.171 2.314 . 0 0 "[ . 1 . 2]" 1 1819 1 81 ARG H 1 81 ARG HB3 . . 3.250 2.877 2.806 2.974 . 0 0 "[ . 1 . 2]" 1 1820 1 81 ARG H 1 81 ARG HD2 . . 4.660 4.121 3.858 4.283 . 0 0 "[ . 1 . 2]" 1 1821 1 81 ARG H 1 81 ARG HD3 . . 4.850 4.371 4.133 4.676 . 0 0 "[ . 1 . 2]" 1 1822 1 81 ARG H 1 81 ARG HG2 . . 4.680 4.622 4.588 4.655 . 0 0 "[ . 1 . 2]" 1 1823 1 81 ARG H 1 81 ARG HG3 . . 4.630 4.452 4.418 4.506 . 0 0 "[ . 1 . 2]" 1 1824 1 81 ARG H 1 82 VAL H . . 3.380 2.627 2.464 2.882 . 0 0 "[ . 1 . 2]" 1 1825 1 81 ARG H 1 82 VAL MG2 . . 4.520 4.226 3.901 4.502 . 0 0 "[ . 1 . 2]" 1 1826 1 81 ARG H 1 85 LEU MD1 . . 5.500 4.956 4.817 5.054 . 0 0 "[ . 1 . 2]" 1 1827 1 81 ARG HA 1 81 ARG HD2 . . 3.760 2.340 2.052 2.479 . 0 0 "[ . 1 . 2]" 1 1828 1 81 ARG HA 1 81 ARG HD3 . . 3.820 3.568 3.336 3.704 . 0 0 "[ . 1 . 2]" 1 1829 1 81 ARG HA 1 81 ARG HG2 . . 4.130 3.646 3.630 3.673 . 0 0 "[ . 1 . 2]" 1 1830 1 81 ARG HA 1 83 LYS H . . 4.970 4.608 4.324 4.963 . 0 0 "[ . 1 . 2]" 1 1831 1 81 ARG HA 1 84 GLU H . . 4.110 3.638 3.491 3.829 . 0 0 "[ . 1 . 2]" 1 1832 1 81 ARG HA 1 84 GLU HB2 . . 4.360 3.349 2.772 4.283 . 0 0 "[ . 1 . 2]" 1 1833 1 81 ARG HA 1 84 GLU QB . . 3.580 2.867 2.733 3.012 . 0 0 "[ . 1 . 2]" 1 1834 1 81 ARG HA 1 84 GLU HB3 . . 4.360 3.694 2.780 4.362 0.002 18 0 "[ . 1 . 2]" 1 1835 1 81 ARG HA 1 84 GLU QG . . 4.690 4.415 4.062 4.638 . 0 0 "[ . 1 . 2]" 1 1836 1 81 ARG HA 1 85 LEU H . . 4.740 3.725 3.481 3.935 . 0 0 "[ . 1 . 2]" 1 1837 1 81 ARG HA 1 85 LEU MD1 . . 4.790 3.643 3.372 3.824 . 0 0 "[ . 1 . 2]" 1 1838 1 81 ARG HB2 1 81 ARG HD2 . . 4.150 2.742 2.624 2.928 . 0 0 "[ . 1 . 2]" 1 1839 1 81 ARG HB2 1 81 ARG HD3 . . 4.020 2.385 2.308 2.582 . 0 0 "[ . 1 . 2]" 1 1840 1 81 ARG HB2 1 82 VAL H . . 3.850 3.650 3.565 3.717 . 0 0 "[ . 1 . 2]" 1 1841 1 81 ARG HB2 1 82 VAL MG2 . . 4.970 4.499 4.304 4.743 . 0 0 "[ . 1 . 2]" 1 1842 1 81 ARG HB2 1 85 LEU MD1 . . 4.260 4.028 3.887 4.199 . 0 0 "[ . 1 . 2]" 1 1843 1 81 ARG HB3 1 81 ARG HD2 . . 4.110 3.741 3.648 3.802 . 0 0 "[ . 1 . 2]" 1 1844 1 81 ARG HB3 1 81 ARG HD3 . . 3.770 3.560 3.502 3.697 . 0 0 "[ . 1 . 2]" 1 1845 1 81 ARG HB3 1 82 VAL H . . 3.850 2.750 2.603 2.877 . 0 0 "[ . 1 . 2]" 1 1846 1 81 ARG HB3 1 82 VAL MG2 . . 4.170 3.165 2.986 3.447 . 0 0 "[ . 1 . 2]" 1 1847 1 81 ARG HB3 1 85 LEU MD1 . . 5.250 2.879 2.660 3.076 . 0 0 "[ . 1 . 2]" 1 1848 1 81 ARG HD2 1 84 GLU QB . . 4.530 4.269 3.769 4.518 . 0 0 "[ . 1 . 2]" 1 1849 1 81 ARG HD2 1 85 LEU MD1 . . 4.410 4.160 3.877 4.402 . 0 0 "[ . 1 . 2]" 1 1850 1 81 ARG HD2 1 85 LEU HG . . 5.450 4.356 3.892 4.766 . 0 0 "[ . 1 . 2]" 1 1851 1 81 ARG HD3 1 85 LEU MD1 . . 4.920 4.428 4.174 4.634 . 0 0 "[ . 1 . 2]" 1 1852 1 81 ARG HG2 1 82 VAL H . . 5.100 4.927 4.794 5.072 . 0 0 "[ . 1 . 2]" 1 1853 1 81 ARG HG2 1 85 LEU MD1 . . 3.520 2.590 2.320 2.802 . 0 0 "[ . 1 . 2]" 1 1854 1 81 ARG HG3 1 82 VAL H . . 4.640 4.497 4.352 4.567 . 0 0 "[ . 1 . 2]" 1 1855 1 81 ARG HG3 1 82 VAL HA . . 5.500 4.696 4.500 4.770 . 0 0 "[ . 1 . 2]" 1 1856 1 81 ARG HG3 1 85 LEU HA . . 5.500 5.241 4.994 5.499 . 0 0 "[ . 1 . 2]" 1 1857 1 81 ARG HG3 1 85 LEU MD1 . . 3.570 2.020 1.817 2.214 . 0 0 "[ . 1 . 2]" 1 1858 1 82 VAL H 1 82 VAL HB . . 3.260 2.461 2.333 2.556 . 0 0 "[ . 1 . 2]" 1 1859 1 82 VAL H 1 82 VAL MG1 . . 3.800 3.753 3.707 3.773 . 0 0 "[ . 1 . 2]" 1 1860 1 82 VAL H 1 82 VAL MG2 . . 3.260 2.378 2.139 2.580 . 0 0 "[ . 1 . 2]" 1 1861 1 82 VAL H 1 83 LYS H . . 3.510 2.594 2.494 2.740 . 0 0 "[ . 1 . 2]" 1 1862 1 82 VAL H 1 83 LYS HA . . 5.500 5.213 5.136 5.309 . 0 0 "[ . 1 . 2]" 1 1863 1 82 VAL H 1 83 LYS QG . . 5.340 4.408 3.885 5.340 . 0 0 "[ . 1 . 2]" 1 1864 1 82 VAL H 1 84 GLU H . . 4.660 3.978 3.842 4.164 . 0 0 "[ . 1 . 2]" 1 1865 1 82 VAL H 1 85 LEU MD1 . . 3.940 3.883 3.687 3.942 0.002 1 0 "[ . 1 . 2]" 1 1866 1 82 VAL HA 1 82 VAL MG1 . . 3.330 2.438 2.344 2.498 . 0 0 "[ . 1 . 2]" 1 1867 1 82 VAL HA 1 82 VAL MG2 . . 3.230 2.297 2.131 2.441 . 0 0 "[ . 1 . 2]" 1 1868 1 82 VAL HA 1 83 LYS HA . . 5.270 4.783 4.718 4.835 . 0 0 "[ . 1 . 2]" 1 1869 1 82 VAL HA 1 85 LEU H . . 4.110 3.533 3.275 3.876 . 0 0 "[ . 1 . 2]" 1 1870 1 82 VAL HA 1 85 LEU HB2 . . 3.680 2.498 2.297 2.767 . 0 0 "[ . 1 . 2]" 1 1871 1 82 VAL HA 1 85 LEU HB3 . . 4.400 4.064 3.858 4.373 . 0 0 "[ . 1 . 2]" 1 1872 1 82 VAL HA 1 85 LEU MD1 . . 3.440 2.663 2.282 2.964 . 0 0 "[ . 1 . 2]" 1 1873 1 82 VAL HA 1 85 LEU HG . . 4.440 4.227 4.046 4.434 . 0 0 "[ . 1 . 2]" 1 1874 1 82 VAL HA 1 86 GLN H . . 4.510 3.579 3.326 3.889 . 0 0 "[ . 1 . 2]" 1 1875 1 82 VAL HB 1 83 LYS H . . 3.430 2.568 2.279 2.818 . 0 0 "[ . 1 . 2]" 1 1876 1 82 VAL HB 1 83 LYS HA . . 4.960 4.306 4.164 4.479 . 0 0 "[ . 1 . 2]" 1 1877 1 82 VAL HB 1 83 LYS QG . . 4.840 3.382 3.044 4.436 . 0 0 "[ . 1 . 2]" 1 1878 1 82 VAL MG1 1 83 LYS H . . 3.870 3.336 2.988 3.551 . 0 0 "[ . 1 . 2]" 1 1879 1 82 VAL MG1 1 83 LYS HA . . 4.020 3.397 3.079 3.647 . 0 0 "[ . 1 . 2]" 1 1880 1 82 VAL MG1 1 83 LYS QG . . 3.980 3.548 3.168 3.843 . 0 0 "[ . 1 . 2]" 1 1881 1 82 VAL MG1 1 86 GLN H . . 4.500 3.717 3.328 4.004 . 0 0 "[ . 1 . 2]" 1 1882 1 82 VAL MG1 1 86 GLN HE21 . . 4.240 2.220 1.867 4.225 . 0 0 "[ . 1 . 2]" 1 1883 1 82 VAL MG1 1 86 GLN QE . . 3.720 2.136 1.841 3.344 . 0 0 "[ . 1 . 2]" 1 1884 1 82 VAL MG1 1 86 GLN HE22 . . 4.240 3.030 2.635 3.516 . 0 0 "[ . 1 . 2]" 1 1885 1 82 VAL MG1 1 86 GLN HG2 . . 3.790 3.661 3.396 3.781 . 0 0 "[ . 1 . 2]" 1 1886 1 82 VAL MG2 1 83 LYS H . . 4.100 3.865 3.729 4.017 . 0 0 "[ . 1 . 2]" 1 1887 1 82 VAL MG2 1 85 LEU H . . 5.500 5.151 4.971 5.374 . 0 0 "[ . 1 . 2]" 1 1888 1 82 VAL MG2 1 85 LEU MD1 . . 4.140 3.266 3.081 3.416 . 0 0 "[ . 1 . 2]" 1 1889 1 83 LYS H 1 83 LYS QB . . 2.950 2.398 2.193 2.563 . 0 0 "[ . 1 . 2]" 1 1890 1 83 LYS H 1 83 LYS QD . . 4.230 3.473 2.097 4.210 . 0 0 "[ . 1 . 2]" 1 1891 1 83 LYS H 1 83 LYS QE . . 4.730 4.337 2.994 4.730 0.000 2 0 "[ . 1 . 2]" 1 1892 1 83 LYS H 1 83 LYS HG2 . . 4.150 3.682 3.103 4.118 . 0 0 "[ . 1 . 2]" 1 1893 1 83 LYS H 1 83 LYS QG . . 3.490 2.347 1.954 3.202 . 0 0 "[ . 1 . 2]" 1 1894 1 83 LYS H 1 83 LYS HG3 . . 4.150 2.381 1.964 3.356 . 0 0 "[ . 1 . 2]" 1 1895 1 83 LYS H 1 85 LEU HB2 . . 5.500 5.039 4.760 5.226 . 0 0 "[ . 1 . 2]" 1 1896 1 83 LYS HA 1 83 LYS QE . . 5.500 4.533 4.122 4.942 . 0 0 "[ . 1 . 2]" 1 1897 1 83 LYS HA 1 83 LYS HG2 . . 3.990 2.740 2.515 3.493 . 0 0 "[ . 1 . 2]" 1 1898 1 83 LYS HA 1 83 LYS QG . . 3.430 2.432 2.220 2.549 . 0 0 "[ . 1 . 2]" 1 1899 1 83 LYS HA 1 83 LYS HG3 . . 3.990 2.804 2.245 3.334 . 0 0 "[ . 1 . 2]" 1 1900 1 83 LYS HA 1 86 GLN H . . 4.220 4.111 3.699 4.223 0.003 11 0 "[ . 1 . 2]" 1 1901 1 83 LYS HA 1 86 GLN HG2 . . 4.480 2.409 2.136 2.701 . 0 0 "[ . 1 . 2]" 1 1902 1 83 LYS HA 1 86 GLN HG3 . . 4.050 3.712 3.450 3.959 . 0 0 "[ . 1 . 2]" 1 1903 1 83 LYS QB 1 83 LYS QD . . 3.090 2.141 2.054 2.216 . 0 0 "[ . 1 . 2]" 1 1904 1 83 LYS QB 1 83 LYS QE . . 3.700 3.007 2.005 3.649 . 0 0 "[ . 1 . 2]" 1 1905 1 83 LYS QB 1 84 GLU H . . 3.390 2.689 2.547 2.894 . 0 0 "[ . 1 . 2]" 1 1906 1 83 LYS QE 1 83 LYS HG2 . . 3.490 2.504 2.146 3.248 . 0 0 "[ . 1 . 2]" 1 1907 1 83 LYS QE 1 83 LYS HG3 . . 3.490 2.723 2.077 3.441 . 0 0 "[ . 1 . 2]" 1 1908 1 83 LYS QG 1 84 GLU H . . 4.440 4.188 3.978 4.444 0.004 18 0 "[ . 1 . 2]" 1 1909 1 83 LYS HG2 1 84 GLU H . . 5.220 5.127 4.871 5.220 . 0 0 "[ . 1 . 2]" 1 1910 1 83 LYS HG3 1 84 GLU H . . 5.220 4.448 4.212 4.879 . 0 0 "[ . 1 . 2]" 1 1911 1 84 GLU H 1 84 GLU HB2 . . 3.490 2.365 2.179 2.754 . 0 0 "[ . 1 . 2]" 1 1912 1 84 GLU H 1 84 GLU QB . . 3.040 2.211 2.153 2.293 . 0 0 "[ . 1 . 2]" 1 1913 1 84 GLU H 1 84 GLU HB3 . . 3.490 3.079 2.377 3.496 0.006 7 0 "[ . 1 . 2]" 1 1914 1 84 GLU H 1 84 GLU QG . . 3.990 3.511 2.935 4.027 0.037 19 0 "[ . 1 . 2]" 1 1915 1 84 GLU H 1 85 LEU H . . 3.480 2.481 2.217 2.727 . 0 0 "[ . 1 . 2]" 1 1916 1 84 GLU H 1 85 LEU HG . . 5.110 4.710 4.501 5.110 . 0 0 "[ . 1 . 2]" 1 1917 1 84 GLU H 1 86 GLN H . . 4.810 4.217 3.877 4.460 . 0 0 "[ . 1 . 2]" 1 1918 1 84 GLU H 1 86 GLN HG2 . . 4.930 4.294 4.067 4.513 . 0 0 "[ . 1 . 2]" 1 1919 1 84 GLU HA 1 84 GLU QG . . 3.900 2.457 2.138 2.892 . 0 0 "[ . 1 . 2]" 1 1920 1 84 GLU HA 1 86 GLN H . . 4.880 4.731 4.182 4.881 0.001 16 0 "[ . 1 . 2]" 1 1921 1 84 GLU HA 1 87 ALA H . . 3.790 3.547 3.138 3.757 . 0 0 "[ . 1 . 2]" 1 1922 1 84 GLU HA 1 87 ALA MB . . 3.250 2.529 2.167 2.730 . 0 0 "[ . 1 . 2]" 1 1923 1 84 GLU HB2 1 85 LEU H . . 3.800 3.226 2.666 3.801 0.001 3 0 "[ . 1 . 2]" 1 1924 1 84 GLU HB3 1 85 LEU H . . 3.800 2.920 2.256 3.585 . 0 0 "[ . 1 . 2]" 1 1925 1 84 GLU QG 1 85 LEU H . . 4.870 4.054 3.160 4.518 . 0 0 "[ . 1 . 2]" 1 1926 1 85 LEU H 1 85 LEU HB2 . . 3.390 2.315 2.204 2.426 . 0 0 "[ . 1 . 2]" 1 1927 1 85 LEU H 1 85 LEU HB3 . . 3.740 3.552 3.507 3.582 . 0 0 "[ . 1 . 2]" 1 1928 1 85 LEU H 1 85 LEU MD1 . . 3.560 3.445 3.309 3.556 . 0 0 "[ . 1 . 2]" 1 1929 1 85 LEU H 1 85 LEU MD2 . . 4.020 3.835 3.683 4.011 . 0 0 "[ . 1 . 2]" 1 1930 1 85 LEU H 1 85 LEU HG . . 3.400 2.615 2.376 2.910 . 0 0 "[ . 1 . 2]" 1 1931 1 85 LEU H 1 86 GLN H . . 3.550 2.844 2.569 3.051 . 0 0 "[ . 1 . 2]" 1 1932 1 85 LEU H 1 86 GLN HG2 . . 5.400 4.271 3.840 4.555 . 0 0 "[ . 1 . 2]" 1 1933 1 85 LEU H 1 87 ALA H . . 4.350 4.025 3.794 4.244 . 0 0 "[ . 1 . 2]" 1 1934 1 85 LEU HA 1 85 LEU MD1 . . 3.900 3.857 3.833 3.889 . 0 0 "[ . 1 . 2]" 1 1935 1 85 LEU HA 1 85 LEU MD2 . . 3.090 2.253 2.088 2.456 . 0 0 "[ . 1 . 2]" 1 1936 1 85 LEU HA 1 85 LEU HG . . 3.540 2.740 2.628 2.826 . 0 0 "[ . 1 . 2]" 1 1937 1 85 LEU HA 1 88 GLU QG . . 3.680 2.953 1.996 3.477 . 0 0 "[ . 1 . 2]" 1 1938 1 85 LEU HB2 1 85 LEU MD1 . . 3.430 2.190 2.048 2.287 . 0 0 "[ . 1 . 2]" 1 1939 1 85 LEU HB2 1 85 LEU MD2 . . 3.520 3.165 3.145 3.179 . 0 0 "[ . 1 . 2]" 1 1940 1 85 LEU HB2 1 86 GLN H . . 3.350 2.460 2.302 2.753 . 0 0 "[ . 1 . 2]" 1 1941 1 85 LEU HB2 1 87 ALA H . . 5.500 4.811 4.615 4.946 . 0 0 "[ . 1 . 2]" 1 1942 1 85 LEU HB3 1 85 LEU MD1 . . 3.490 2.512 2.433 2.631 . 0 0 "[ . 1 . 2]" 1 1943 1 85 LEU HB3 1 85 LEU MD2 . . 3.420 2.208 2.076 2.321 . 0 0 "[ . 1 . 2]" 1 1944 1 85 LEU HB3 1 86 GLN H . . 4.100 3.168 2.961 3.566 . 0 0 "[ . 1 . 2]" 1 1945 1 85 LEU HB3 1 86 GLN HA . . 4.780 4.080 3.966 4.273 . 0 0 "[ . 1 . 2]" 1 1946 1 85 LEU HB3 1 87 ALA H . . 5.300 5.197 4.850 5.301 0.001 4 0 "[ . 1 . 2]" 1 1947 1 85 LEU HG 1 86 GLN H . . 4.640 4.566 4.467 4.640 0.000 18 0 "[ . 1 . 2]" 1 1948 1 86 GLN H 1 86 GLN HB2 . . 3.850 3.575 3.540 3.621 . 0 0 "[ . 1 . 2]" 1 1949 1 86 GLN H 1 86 GLN QB . . 3.150 2.363 2.248 2.507 . 0 0 "[ . 1 . 2]" 1 1950 1 86 GLN H 1 86 GLN HB3 . . 3.850 2.398 2.274 2.559 . 0 0 "[ . 1 . 2]" 1 1951 1 86 GLN H 1 86 GLN QE . . 5.340 3.688 3.395 4.406 . 0 0 "[ . 1 . 2]" 1 1952 1 86 GLN H 1 86 GLN HG2 . . 3.600 2.402 2.061 2.652 . 0 0 "[ . 1 . 2]" 1 1953 1 86 GLN H 1 86 GLN HG3 . . 3.870 3.532 3.270 3.707 . 0 0 "[ . 1 . 2]" 1 1954 1 86 GLN H 1 87 ALA H . . 3.310 2.708 2.379 2.858 . 0 0 "[ . 1 . 2]" 1 1955 1 86 GLN H 1 87 ALA MB . . 4.510 4.301 3.993 4.417 . 0 0 "[ . 1 . 2]" 1 1956 1 86 GLN H 1 88 GLU H . . 4.700 4.120 3.897 4.413 . 0 0 "[ . 1 . 2]" 1 1957 1 86 GLN HA 1 86 GLN HG2 . . 3.930 3.801 3.635 3.876 . 0 0 "[ . 1 . 2]" 1 1958 1 86 GLN HA 1 86 GLN HG3 . . 3.900 3.681 3.596 3.886 . 0 0 "[ . 1 . 2]" 1 1959 1 86 GLN HA 1 89 GLN H . . 3.950 3.722 3.386 3.951 0.001 6 0 "[ . 1 . 2]" 1 1960 1 86 GLN HA 1 89 GLN QG . . 4.320 2.112 1.882 3.473 . 0 0 "[ . 1 . 2]" 1 1961 1 86 GLN QB 1 86 GLN QE . . 3.740 2.141 1.886 2.833 . 0 0 "[ . 1 . 2]" 1 1962 1 86 GLN HB2 1 87 ALA H . . 4.130 3.921 3.613 4.136 0.006 6 0 "[ . 1 . 2]" 1 1963 1 86 GLN HB3 1 87 ALA H . . 4.130 3.877 3.733 4.136 0.006 6 0 "[ . 1 . 2]" 1 1964 1 86 GLN QE 1 86 GLN HG3 . . 3.370 3.303 2.699 3.349 . 0 0 "[ . 1 . 2]" 1 1965 1 86 GLN HG2 1 87 ALA H . . 4.680 2.515 2.048 3.053 . 0 0 "[ . 1 . 2]" 1 1966 1 86 GLN HG3 1 87 ALA H . . 4.390 2.469 2.079 2.847 . 0 0 "[ . 1 . 2]" 1 1967 1 86 GLN HG3 1 87 ALA HA . . 4.690 3.145 2.945 3.474 . 0 0 "[ . 1 . 2]" 1 1968 1 86 GLN HG3 1 87 ALA MB . . 4.350 3.273 3.114 3.499 . 0 0 "[ . 1 . 2]" 1 1969 1 87 ALA H 1 87 ALA MB . . 2.830 2.113 2.024 2.274 . 0 0 "[ . 1 . 2]" 1 1970 1 87 ALA HA 1 89 GLN QG . . 5.500 4.976 4.601 5.460 . 0 0 "[ . 1 . 2]" 1 1971 1 87 ALA HA 1 90 GLU H . . 4.300 4.000 3.667 4.300 0.000 15 0 "[ . 1 . 2]" 1 1972 1 87 ALA HA 1 90 GLU QB . . 3.490 3.022 2.303 3.489 . 0 0 "[ . 1 . 2]" 1 1973 1 87 ALA HA 1 90 GLU QG . . 5.500 4.266 2.219 5.353 . 0 0 "[ . 1 . 2]" 1 1974 1 87 ALA HA 1 91 ASP H . . 4.300 3.973 3.626 4.281 . 0 0 "[ . 1 . 2]" 1 1975 1 87 ALA MB 1 88 GLU H . . 3.440 2.914 2.536 3.150 . 0 0 "[ . 1 . 2]" 1 1976 1 87 ALA MB 1 88 GLU HA . . 3.930 3.872 3.779 3.935 0.005 9 0 "[ . 1 . 2]" 1 1977 1 87 ALA MB 1 88 GLU QB . . 4.800 4.318 3.675 4.627 . 0 0 "[ . 1 . 2]" 1 1978 1 87 ALA MB 1 90 GLU QB . . 5.170 4.378 3.877 4.783 . 0 0 "[ . 1 . 2]" 1 1979 1 87 ALA MB 1 91 ASP QB . . 5.000 4.279 3.770 4.993 . 0 0 "[ . 1 . 2]" 1 1980 1 88 GLU H 1 88 GLU QB . . 2.980 2.425 2.301 2.509 . 0 0 "[ . 1 . 2]" 1 1981 1 88 GLU H 1 88 GLU HG2 . . 3.890 2.654 2.301 3.616 . 0 0 "[ . 1 . 2]" 1 1982 1 88 GLU H 1 88 GLU HG3 . . 3.890 3.475 2.533 3.888 . 0 0 "[ . 1 . 2]" 1 1983 1 88 GLU H 1 90 GLU H . . 3.730 3.526 3.367 3.730 . 6 0 "[ . 1 . 2]" 1 1984 1 88 GLU H 1 91 ASP QB . . 5.120 4.658 4.265 5.085 . 0 0 "[ . 1 . 2]" 1 1985 1 88 GLU HA 1 88 GLU HG2 . . 3.860 2.989 2.276 3.860 0.000 4 0 "[ . 1 . 2]" 1 1986 1 88 GLU HA 1 88 GLU QG . . 3.340 2.826 2.236 3.318 . 0 0 "[ . 1 . 2]" 1 1987 1 88 GLU HA 1 88 GLU HG3 . . 3.860 3.651 3.136 3.830 . 0 0 "[ . 1 . 2]" 1 1988 1 88 GLU HA 1 91 ASP H . . 3.810 3.327 3.152 3.715 . 0 0 "[ . 1 . 2]" 1 1989 1 88 GLU HA 1 91 ASP QB . . 3.430 2.585 2.185 3.030 . 0 0 "[ . 1 . 2]" 1 1990 1 88 GLU HA 1 92 ARG H . . 5.500 4.556 3.815 5.109 . 0 0 "[ . 1 . 2]" 1 1991 1 88 GLU QB 1 89 GLN H . . 3.400 2.268 1.901 3.392 . 0 0 "[ . 1 . 2]" 1 1992 1 88 GLU QB 1 91 ASP QB . . 4.660 4.149 3.926 4.594 . 0 0 "[ . 1 . 2]" 1 1993 1 89 GLN H 1 89 GLN HB2 . . 3.790 3.582 3.498 3.610 . 0 0 "[ . 1 . 2]" 1 1994 1 89 GLN H 1 89 GLN QB . . 3.280 2.436 2.171 2.666 . 0 0 "[ . 1 . 2]" 1 1995 1 89 GLN H 1 89 GLN HB3 . . 3.790 2.480 2.193 2.751 . 0 0 "[ . 1 . 2]" 1 1996 1 89 GLN H 1 89 GLN QG . . 3.410 2.388 2.008 2.890 . 0 0 "[ . 1 . 2]" 1 1997 1 89 GLN H 1 90 GLU H . . 3.320 2.728 2.455 2.923 . 0 0 "[ . 1 . 2]" 1 1998 1 89 GLN H 1 91 ASP H . . 4.510 4.303 3.934 4.504 . 0 0 "[ . 1 . 2]" 1 1999 1 89 GLN H 1 91 ASP QB . . 5.500 4.936 4.755 5.373 . 0 0 "[ . 1 . 2]" 1 2000 1 89 GLN HA 1 89 GLN QG . . 3.590 3.351 3.276 3.442 . 0 0 "[ . 1 . 2]" 1 2001 1 89 GLN HA 1 91 ASP H . . 4.900 4.598 4.079 4.850 . 0 0 "[ . 1 . 2]" 1 2002 1 89 GLN HA 1 92 ARG QD . . 4.120 3.198 2.531 3.926 . 0 0 "[ . 1 . 2]" 1 2003 1 89 GLN HA 1 92 ARG QG . . 3.450 2.843 2.392 3.333 . 0 0 "[ . 1 . 2]" 1 2004 1 89 GLN HB2 1 90 GLU H . . 4.270 4.011 3.680 4.233 . 0 0 "[ . 1 . 2]" 1 2005 1 89 GLN HB3 1 90 GLU H . . 4.270 4.065 3.732 4.263 . 0 0 "[ . 1 . 2]" 1 2006 1 89 GLN QE 1 90 GLU QB . . 5.340 3.824 3.050 5.158 . 0 0 "[ . 1 . 2]" 1 2007 1 89 GLN QG 1 90 GLU H . . 3.760 2.278 1.967 2.641 . 0 0 "[ . 1 . 2]" 1 2008 1 89 GLN QG 1 90 GLU HA . . 4.310 3.611 3.175 4.274 . 0 0 "[ . 1 . 2]" 1 2009 1 90 GLU H 1 90 GLU QB . . 2.930 2.339 2.263 2.532 . 0 0 "[ . 1 . 2]" 1 2010 1 90 GLU H 1 90 GLU QG . . 4.240 3.418 2.287 4.092 . 0 0 "[ . 1 . 2]" 1 2011 1 90 GLU H 1 91 ASP QB . . 5.040 4.059 3.934 4.221 . 0 0 "[ . 1 . 2]" 1 2012 1 90 GLU HA 1 90 GLU QG . . 3.770 2.601 2.199 3.301 . 0 0 "[ . 1 . 2]" 1 2013 1 90 GLU HA 1 92 ARG H . . 5.500 4.343 3.845 4.677 . 0 0 "[ . 1 . 2]" 1 2014 1 90 GLU HA 1 93 ALA H . . 3.450 3.259 2.991 3.450 . 0 0 "[ . 1 . 2]" 1 2015 1 90 GLU HA 1 93 ALA MB . . 3.590 2.459 2.053 3.071 . 0 0 "[ . 1 . 2]" 1 2016 1 90 GLU HA 1 94 LEU H . . 4.350 4.084 3.453 4.349 . 0 0 "[ . 1 . 2]" 1 2017 1 90 GLU QB 1 91 ASP H . . 3.480 2.668 2.393 3.436 . 0 0 "[ . 1 . 2]" 1 2018 1 90 GLU QB 1 91 ASP HA . . 4.920 3.976 3.791 4.619 . 0 0 "[ . 1 . 2]" 1 2019 1 90 GLU QB 1 91 ASP QB . . 5.040 4.239 3.993 4.924 . 0 0 "[ . 1 . 2]" 1 2020 1 90 GLU QG 1 91 ASP H . . 4.150 3.779 2.050 4.151 0.001 6 0 "[ . 1 . 2]" 1 2021 1 90 GLU QG 1 93 ALA MB . . 4.800 3.601 2.770 4.800 0.000 16 0 "[ . 1 . 2]" 1 2022 1 91 ASP H 1 91 ASP QB . . 3.040 2.235 2.140 2.295 . 0 0 "[ . 1 . 2]" 1 2023 1 91 ASP HA 1 93 ALA H . . 5.000 4.394 3.970 5.003 0.003 16 0 "[ . 1 . 2]" 1 2024 1 91 ASP HA 1 94 LEU H . . 4.300 3.557 3.162 4.025 . 0 0 "[ . 1 . 2]" 1 2025 1 91 ASP HA 1 94 LEU HB2 . . 4.830 3.261 2.231 4.685 . 0 0 "[ . 1 . 2]" 1 2026 1 91 ASP HA 1 94 LEU QB . . 4.020 2.756 2.201 3.202 . 0 0 "[ . 1 . 2]" 1 2027 1 91 ASP HA 1 94 LEU HB3 . . 4.830 3.341 2.395 4.800 . 0 0 "[ . 1 . 2]" 1 2028 1 91 ASP HA 1 94 LEU QD . . 4.280 3.221 2.241 3.714 . 0 0 "[ . 1 . 2]" 1 2029 1 91 ASP QB 1 92 ARG H . . 3.320 2.496 2.024 3.309 . 0 0 "[ . 1 . 2]" 1 2030 1 91 ASP QB 1 92 ARG HA . . 4.660 4.172 3.746 4.562 . 0 0 "[ . 1 . 2]" 1 2031 1 91 ASP QB 1 92 ARG QG . . 4.610 3.821 3.005 4.555 . 0 0 "[ . 1 . 2]" 1 2032 1 91 ASP QB 1 94 LEU QD . . 4.940 4.491 3.655 4.924 . 0 0 "[ . 1 . 2]" 1 2033 1 92 ARG H 1 92 ARG QB . . 3.030 2.607 2.388 2.805 . 0 0 "[ . 1 . 2]" 1 2034 1 92 ARG H 1 92 ARG QD . . 4.990 3.856 3.375 4.181 . 0 0 "[ . 1 . 2]" 1 2035 1 92 ARG H 1 92 ARG HG2 . . 4.150 2.115 1.914 3.345 . 0 0 "[ . 1 . 2]" 1 2036 1 92 ARG H 1 92 ARG QG . . 3.490 2.006 1.857 2.331 . 0 0 "[ . 1 . 2]" 1 2037 1 92 ARG H 1 92 ARG HG3 . . 4.150 2.868 2.162 3.605 . 0 0 "[ . 1 . 2]" 1 2038 1 92 ARG HA 1 94 LEU H . . 4.850 4.488 3.895 4.829 . 0 0 "[ . 1 . 2]" 1 2039 1 92 ARG HA 1 95 ARG H . . 4.700 3.841 3.478 4.321 . 0 0 "[ . 1 . 2]" 1 2040 1 92 ARG QB 1 92 ARG QD . . 3.480 2.238 2.075 2.523 . 0 0 "[ . 1 . 2]" 1 2041 1 92 ARG QB 1 93 ALA H . . 3.550 3.242 2.113 3.551 0.001 9 0 "[ . 1 . 2]" 1 2042 1 92 ARG QB 1 93 ALA HA . . 4.730 4.187 3.673 4.490 . 0 0 "[ . 1 . 2]" 1 2043 1 92 ARG QG 1 93 ALA H . . 3.480 2.298 1.918 3.252 . 0 0 "[ . 1 . 2]" 1 2044 1 92 ARG HG2 1 93 ALA H . . 4.140 3.128 2.002 4.167 0.027 17 0 "[ . 1 . 2]" 1 2045 1 92 ARG HG3 1 93 ALA H . . 4.140 2.409 1.979 3.394 . 0 0 "[ . 1 . 2]" 1 2046 1 93 ALA H 1 93 ALA MB . . 2.990 2.134 2.044 2.272 . 0 0 "[ . 1 . 2]" 1 2047 1 93 ALA MB 1 94 LEU H . . 3.450 2.636 2.265 2.984 . 0 0 "[ . 1 . 2]" 1 2048 1 93 ALA MB 1 94 LEU HA . . 4.750 3.757 3.644 3.880 . 0 0 "[ . 1 . 2]" 1 2049 1 94 LEU H 1 94 LEU HB2 . . 3.520 2.424 2.146 3.488 . 0 0 "[ . 1 . 2]" 1 2050 1 94 LEU H 1 94 LEU QB . . 2.950 2.189 2.098 2.257 . 0 0 "[ . 1 . 2]" 1 2051 1 94 LEU H 1 94 LEU HB3 . . 3.520 2.798 2.176 3.519 . 0 0 "[ . 1 . 2]" 1 2052 1 94 LEU H 1 94 LEU MD1 . . 4.690 3.867 1.992 4.258 . 0 0 "[ . 1 . 2]" 1 2053 1 94 LEU H 1 94 LEU QD . . 3.940 3.421 1.988 3.754 . 0 0 "[ . 1 . 2]" 1 2054 1 94 LEU H 1 94 LEU MD2 . . 4.690 4.027 2.015 4.341 . 0 0 "[ . 1 . 2]" 1 2055 1 94 LEU H 1 94 LEU HG . . 4.510 4.142 2.859 4.524 0.014 19 0 "[ . 1 . 2]" 1 2056 1 94 LEU HA 1 94 LEU MD1 . . 4.490 2.779 2.005 3.835 . 0 0 "[ . 1 . 2]" 1 2057 1 94 LEU HA 1 94 LEU QD . . 3.000 2.408 1.933 3.063 0.063 20 0 "[ . 1 . 2]" 1 2058 1 94 LEU HA 1 94 LEU MD2 . . 4.490 3.386 2.016 4.115 . 0 0 "[ . 1 . 2]" 1 2059 1 94 LEU QB 1 95 ARG H . . 3.420 2.543 2.057 3.333 . 0 0 "[ . 1 . 2]" 1 2060 1 94 LEU HB2 1 95 ARG H . . 4.040 3.549 2.580 4.028 . 0 0 "[ . 1 . 2]" 1 2061 1 94 LEU HB3 1 95 ARG H . . 4.040 2.719 2.070 3.621 . 0 0 "[ . 1 . 2]" 1 2062 1 95 ARG HA 1 95 ARG QD . . 4.490 3.848 2.310 4.390 . 0 0 "[ . 1 . 2]" 1 2063 1 95 ARG HA 1 95 ARG QG . . 3.370 2.493 2.162 3.343 . 0 0 "[ . 1 . 2]" 1 2064 1 98 LYS QE 1 99 SER H . . 4.740 4.147 1.870 4.707 . 0 0 "[ . 1 . 2]" 1 2065 1 100 GLY QA 1 101 PRO QD . . 3.800 2.008 1.921 2.163 . 0 0 "[ . 1 . 2]" 1 stop_ save_
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