NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
463251 | 2juh | 15444 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2juh 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 919 _Distance_constraint_stats_list.Viol_count 1043 _Distance_constraint_stats_list.Viol_total 951.442 _Distance_constraint_stats_list.Viol_max 0.637 _Distance_constraint_stats_list.Viol_rms 0.0162 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0026 _Distance_constraint_stats_list.Viol_average_violations_only 0.0456 _Distance_constraint_stats_list.Cutoff_violation_report 0.500 _Distance_constraint_stats_list.Details ; Description of the tags in this list: * 1 * Administrative tag * 2 * Administrative tag * 3 * Administrative tag * 4 * ID of the restraint list. * 5 * Number of restraints in list. * 6 * Number of violated restraints (each model violation is used). * 7 * Sum of violations in Angstrom. * 8 * Maximum violation of a restraint without averaging in any way. * 9 * Rms of violations over all restraints. * 10 * Average violation over all restraints. * 11 * Average violation over violated restraints. This violation is averaged over only those models in which the restraint is violated. These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998). * 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table. * 13 * This tag Description of the tags in the per residue table below: * 1 * Chain identifier (can be absent if none defined) * 2 * Residue number * 3 * Residue name * 4 * Maximum violation in ensemble of models (without any averaging) * 5 * Model number with the maximum violation * 6 * Number of models with a violation above cutoff * 7 * List of models (1 character per model) with a violation above cutoff. An '*' marks a violation above the cutoff. A '+' indicates the largest violation above the cutoff and a '-' marks the smallest violation over cutoff. For models 5, 15, 25,... a ' ' is replaced by a '.'. For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1. * 8 * Administrative tag * 9 * Administrative tag Description of the tags in the per restraint table below: * 1 * Restraint ID within restraint list. First node, FIRST member, first atom's: * 2 * Chain identifier (can be absent if none defined) * 3 * Residue number * 4 * Residue name * 5 * Name of (pseudo-)atom First node, SECOND member, first atom's: * 6 * Chain identifier (can be absent if none defined) * 7 * Residue number * 8 * Residue name * 9 * Name of (pseudo-)atom FIRST node's: * 10 * Target distance value (Angstrom) * 11 * Lower bound distance (Angstrom) * 12 * Upper bound distance (Angstrom) * 13 * Average distance in ensemble of models * 14 * Minimum distance in ensemble of models * 15 * Maximum distance in ensemble of models * 16 * Maximum violation (without any averaging) * 17 * Model number with the maximum violation * 18 * Number of models with a violation above cutoff * 19 * List of models with a violation above cutoff. See description above. * 20 * Administrative tag * 21 * Administrative tag ; loop_ _Distance_constraint_stats_per_res.Atom_entity_assembly_ID _Distance_constraint_stats_per_res.Atom_comp_index_ID _Distance_constraint_stats_per_res.Atom_comp_ID _Distance_constraint_stats_per_res.Total_violation _Distance_constraint_stats_per_res.Max_violation _Distance_constraint_stats_per_res.Max_violation_model_number _Distance_constraint_stats_per_res.Over_cutoff_viol_count _Distance_constraint_stats_per_res.Over_cutoff_viol_per_model 1 2 VAL 0.002 0.002 5 0 "[ . 1 . 2]" 1 3 ASN 0.002 0.002 5 0 "[ . 1 . 2]" 1 20 PHE 0.183 0.080 1 0 "[ . 1 . 2]" 1 21 SER 0.049 0.039 18 0 "[ . 1 . 2]" 1 22 VAL 0.216 0.062 1 0 "[ . 1 . 2]" 1 23 ALA 0.083 0.039 18 0 "[ . 1 . 2]" 1 24 GLU 0.040 0.024 5 0 "[ . 1 . 2]" 1 25 VAL 0.784 0.109 1 0 "[ . 1 . 2]" 1 26 GLU 0.029 0.018 1 0 "[ . 1 . 2]" 1 27 ALA 0.536 0.109 1 0 "[ . 1 . 2]" 1 28 LEU 3.019 0.127 10 0 "[ . 1 . 2]" 1 29 VAL 1.064 0.112 10 0 "[ . 1 . 2]" 1 30 GLU 0.010 0.010 3 0 "[ . 1 . 2]" 1 31 ALA 1.448 0.103 13 0 "[ . 1 . 2]" 1 32 VAL 7.124 0.226 19 0 "[ . 1 . 2]" 1 33 GLU 0.352 0.043 16 0 "[ . 1 . 2]" 1 34 HIS 0.000 0.000 . 0 "[ . 1 . 2]" 1 35 LEU 1.342 0.102 17 0 "[ . 1 . 2]" 1 36 GLY 6.832 0.226 19 0 "[ . 1 . 2]" 1 37 THR 1.469 0.119 6 0 "[ . 1 . 2]" 1 38 GLY 0.114 0.035 11 0 "[ . 1 . 2]" 1 39 ARG 0.479 0.087 10 0 "[ . 1 . 2]" 1 40 TRP 0.503 0.110 15 0 "[ . 1 . 2]" 1 41 ARG 0.000 0.000 . 0 "[ . 1 . 2]" 1 42 ASP 0.556 0.065 11 0 "[ . 1 . 2]" 1 43 VAL 2.008 0.102 17 0 "[ . 1 . 2]" 1 44 LYS 0.005 0.005 16 0 "[ . 1 . 2]" 1 45 MET 0.006 0.006 7 0 "[ . 1 . 2]" 1 46 ARG 0.107 0.100 7 0 "[ . 1 . 2]" 1 47 ALA 0.961 0.103 13 0 "[ . 1 . 2]" 1 48 PHE 0.487 0.053 14 0 "[ . 1 . 2]" 1 49 ASP 0.197 0.055 9 0 "[ . 1 . 2]" 1 50 ASN 0.097 0.097 13 0 "[ . 1 . 2]" 1 51 ALA 0.476 0.097 13 0 "[ . 1 . 2]" 1 52 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 53 HIS 0.060 0.041 14 0 "[ . 1 . 2]" 1 54 ARG 0.000 0.000 . 0 "[ . 1 . 2]" 1 55 THR 0.073 0.022 7 0 "[ . 1 . 2]" 1 56 TYR 1.197 0.637 13 1 "[ . 1 + . 2]" 1 57 VAL 0.066 0.023 13 0 "[ . 1 . 2]" 1 58 ASP 0.130 0.070 15 0 "[ . 1 . 2]" 1 59 LEU 0.606 0.110 15 0 "[ . 1 . 2]" 1 60 LYS 0.096 0.092 15 0 "[ . 1 . 2]" 1 61 ASP 0.060 0.044 15 0 "[ . 1 . 2]" 1 62 LYS 0.119 0.036 10 0 "[ . 1 . 2]" 1 63 TRP 2.929 0.107 13 0 "[ . 1 . 2]" 1 64 LYS 0.516 0.065 9 0 "[ . 1 . 2]" 1 65 THR 0.048 0.025 9 0 "[ . 1 . 2]" 1 66 LEU 2.696 0.243 15 0 "[ . 1 . 2]" 1 67 VAL 5.406 0.222 16 0 "[ . 1 . 2]" 1 68 HIS 0.000 0.000 . 0 "[ . 1 . 2]" 1 69 THR 5.067 0.280 15 0 "[ . 1 . 2]" 1 70 ALA 6.240 0.288 11 0 "[ . 1 . 2]" 1 71 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 72 ILE 4.651 0.222 16 0 "[ . 1 . 2]" 1 73 ALA 0.450 0.084 1 0 "[ . 1 . 2]" 1 74 PRO 0.079 0.021 16 0 "[ . 1 . 2]" 1 75 GLN 0.000 0.000 . 0 "[ . 1 . 2]" 1 76 GLN 0.450 0.084 1 0 "[ . 1 . 2]" 1 77 ARG 0.079 0.021 16 0 "[ . 1 . 2]" 1 78 ARG 0.003 0.003 2 0 "[ . 1 . 2]" 1 80 GLU 0.110 0.110 20 0 "[ . 1 . 2]" 1 81 PRO 0.000 0.000 . 0 "[ . 1 . 2]" 1 82 VAL 4.145 0.225 9 0 "[ . 1 . 2]" 1 83 PRO 0.039 0.018 11 0 "[ . 1 . 2]" 1 84 GLN 0.199 0.046 16 0 "[ . 1 . 2]" 1 85 ASP 0.076 0.020 2 0 "[ . 1 . 2]" 1 86 LEU 1.474 0.128 19 0 "[ . 1 . 2]" 1 87 LEU 8.238 0.288 11 0 "[ . 1 . 2]" 1 88 ASP 0.549 0.157 12 0 "[ . 1 . 2]" 1 89 ARG 0.480 0.079 10 0 "[ . 1 . 2]" 1 90 VAL 4.738 0.183 15 0 "[ . 1 . 2]" 1 91 LEU 3.471 0.283 18 0 "[ . 1 . 2]" 1 92 ALA 0.100 0.026 7 0 "[ . 1 . 2]" 1 93 ALA 1.673 0.176 10 0 "[ . 1 . 2]" 1 94 HIS 1.061 0.173 16 0 "[ . 1 . 2]" 1 95 ALA 0.020 0.006 19 0 "[ . 1 . 2]" 1 96 TYR 0.301 0.030 18 0 "[ . 1 . 2]" 1 97 TRP 1.533 0.131 10 0 "[ . 1 . 2]" 1 98 SER 0.031 0.014 16 0 "[ . 1 . 2]" 1 99 GLN 0.051 0.011 5 0 "[ . 1 . 2]" 1 100 GLN 0.000 0.000 . 0 "[ . 1 . 2]" 1 101 GLN 0.029 0.011 5 0 "[ . 1 . 2]" 1 106 VAL 0.000 0.000 . 0 "[ . 1 . 2]" 1 107 GLU 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 32 VAL HA 1 32 VAL MG2 . . 3.330 2.301 2.266 2.376 . 0 0 "[ . 1 . 2]" 1 2 1 29 VAL HA 1 32 VAL MG2 . . 4.560 3.794 3.131 4.591 0.031 10 0 "[ . 1 . 2]" 1 3 1 32 VAL MG2 1 36 GLY HA2 . . 4.980 4.450 3.293 5.206 0.226 19 0 "[ . 1 . 2]" 1 4 1 36 GLY HA3 1 37 THR MG . . 5.110 4.687 4.125 5.111 0.001 8 0 "[ . 1 . 2]" 1 5 1 36 GLY HA2 1 37 THR MG . . 4.660 3.903 3.373 4.370 . 0 0 "[ . 1 . 2]" 1 6 1 35 LEU HA 1 35 LEU HG . . 4.010 3.300 2.954 3.697 . 0 0 "[ . 1 . 2]" 1 7 1 33 GLU HA 1 33 GLU HG3 . . 3.880 3.322 2.687 3.574 . 0 0 "[ . 1 . 2]" 1 8 1 30 GLU HA 1 33 GLU HB3 . . 4.480 3.807 3.493 4.142 . 0 0 "[ . 1 . 2]" 1 9 1 32 VAL HA 1 35 LEU H . . 4.420 3.685 3.592 3.741 . 0 0 "[ . 1 . 2]" 1 10 1 32 VAL HA 1 36 GLY HA3 . . 5.100 5.008 4.898 5.172 0.072 10 0 "[ . 1 . 2]" 1 11 1 29 VAL HA 1 32 VAL HB . . 4.380 3.095 2.223 4.148 . 0 0 "[ . 1 . 2]" 1 12 1 28 LEU HA 1 31 ALA MB . . 3.910 2.968 2.538 3.458 . 0 0 "[ . 1 . 2]" 1 13 1 29 VAL HA 1 31 ALA MB . . 5.310 4.907 4.714 5.116 . 0 0 "[ . 1 . 2]" 1 14 1 31 ALA MB 1 32 VAL HA . . 3.910 3.831 3.760 3.870 . 0 0 "[ . 1 . 2]" 1 15 1 31 ALA MB 1 43 VAL HB . . 4.740 3.977 3.780 4.120 . 0 0 "[ . 1 . 2]" 1 16 1 31 ALA MB 1 46 ARG HB3 . . 3.870 2.354 1.939 2.827 . 0 0 "[ . 1 . 2]" 1 17 1 31 ALA MB 1 59 LEU MD1 . . 5.500 4.592 4.160 5.327 . 0 0 "[ . 1 . 2]" 1 18 1 31 ALA MB 1 48 PHE HD1 . . 5.390 5.338 4.986 5.440 0.050 13 0 "[ . 1 . 2]" 1 19 1 31 ALA MB 1 44 LYS H . . 5.030 4.792 4.672 4.924 . 0 0 "[ . 1 . 2]" 1 20 1 31 ALA HA 1 43 VAL HA . . 4.350 4.179 3.985 4.349 . 0 0 "[ . 1 . 2]" 1 21 1 31 ALA HA 1 47 ALA MB . . 4.670 4.626 4.196 4.773 0.103 13 0 "[ . 1 . 2]" 1 22 1 30 GLU HB3 1 31 ALA H . . 4.600 3.489 3.133 3.878 . 0 0 "[ . 1 . 2]" 1 23 1 72 ILE HA 1 73 ALA MB . . 4.900 4.803 4.772 4.841 . 0 0 "[ . 1 . 2]" 1 24 1 28 LEU HG 1 29 VAL HA . . 5.500 5.534 5.427 5.612 0.112 10 0 "[ . 1 . 2]" 1 25 1 28 LEU HB3 1 29 VAL HA . . 4.900 3.990 3.892 4.114 . 0 0 "[ . 1 . 2]" 1 26 1 29 VAL HB 1 30 GLU H . . 4.170 2.985 2.201 3.897 . 0 0 "[ . 1 . 2]" 1 27 1 27 ALA MB 1 47 ALA MB . . 2.880 2.113 1.893 2.376 . 0 0 "[ . 1 . 2]" 1 28 1 27 ALA MB 1 31 ALA MB . . 4.190 3.830 3.579 4.175 . 0 0 "[ . 1 . 2]" 1 29 1 27 ALA MB 1 47 ALA HA . . 4.020 2.261 1.923 2.841 . 0 0 "[ . 1 . 2]" 1 30 1 26 GLU HB3 1 86 LEU MD1 . . 4.500 3.766 2.724 4.510 0.010 10 0 "[ . 1 . 2]" 1 31 1 25 VAL HA 1 28 LEU HB3 . . 4.100 3.315 2.707 4.068 . 0 0 "[ . 1 . 2]" 1 32 1 25 VAL HA 1 25 VAL MG2 . . 3.430 2.364 2.277 2.447 . 0 0 "[ . 1 . 2]" 1 33 1 20 PHE QD 1 25 VAL HA . . 5.080 4.324 2.863 4.904 . 0 0 "[ . 1 . 2]" 1 34 1 25 VAL HA 1 27 ALA H . . 4.890 4.099 3.742 4.679 . 0 0 "[ . 1 . 2]" 1 35 1 25 VAL HA 1 28 LEU H . . 4.540 3.261 3.007 3.505 . 0 0 "[ . 1 . 2]" 1 36 1 25 VAL HB 1 66 LEU MD1 . . 5.500 4.371 3.968 4.750 . 0 0 "[ . 1 . 2]" 1 37 1 25 VAL HB 1 66 LEU MD2 . . 5.500 4.793 4.347 5.337 . 0 0 "[ . 1 . 2]" 1 38 1 22 VAL HA 1 25 VAL HB . . 4.400 3.092 2.487 4.462 0.062 1 0 "[ . 1 . 2]" 1 39 1 25 VAL HB 1 26 GLU H . . 4.130 2.968 2.718 4.104 . 0 0 "[ . 1 . 2]" 1 40 1 24 GLU H 1 25 VAL HB . . 5.500 4.883 4.708 5.286 . 0 0 "[ . 1 . 2]" 1 41 1 25 VAL HB 1 27 ALA H . . 5.500 5.214 4.954 5.609 0.109 1 0 "[ . 1 . 2]" 1 42 1 23 ALA MB 1 26 GLU H . . 5.060 4.731 4.598 4.797 . 0 0 "[ . 1 . 2]" 1 43 1 22 VAL HA 1 25 VAL H . . 4.110 3.732 3.500 3.955 . 0 0 "[ . 1 . 2]" 1 44 1 35 LEU HG 1 39 ARG HB3 . . 5.500 4.764 3.384 5.526 0.026 17 0 "[ . 1 . 2]" 1 45 1 40 TRP HA 1 43 VAL HB . . 3.870 2.555 2.327 2.646 . 0 0 "[ . 1 . 2]" 1 46 1 41 ARG HA 1 44 LYS HB3 . . 4.260 3.497 2.937 4.196 . 0 0 "[ . 1 . 2]" 1 47 1 41 ARG HA 1 41 ARG HG3 . . 4.050 3.315 2.271 3.925 . 0 0 "[ . 1 . 2]" 1 48 1 41 ARG HA 1 44 LYS H . . 4.460 3.564 3.440 3.819 . 0 0 "[ . 1 . 2]" 1 49 1 31 ALA MB 1 43 VAL HA . . 3.800 1.988 1.899 2.271 . 0 0 "[ . 1 . 2]" 1 50 1 43 VAL HA 1 46 ARG HB3 . . 4.650 2.463 2.266 2.810 . 0 0 "[ . 1 . 2]" 1 51 1 32 VAL HA 1 43 VAL HA . . 5.500 4.893 4.506 5.263 . 0 0 "[ . 1 . 2]" 1 52 1 75 GLN HA 1 77 ARG H . . 4.510 3.748 3.354 4.233 . 0 0 "[ . 1 . 2]" 1 53 1 45 MET HA 1 45 MET HG3 . . 3.870 3.594 3.222 3.815 . 0 0 "[ . 1 . 2]" 1 54 1 47 ALA MB 1 48 PHE HD1 . . 3.260 2.402 2.067 2.646 . 0 0 "[ . 1 . 2]" 1 55 1 31 ALA MB 1 47 ALA MB . . 3.190 2.212 1.918 2.323 . 0 0 "[ . 1 . 2]" 1 56 1 46 ARG HB3 1 47 ALA MB . . 4.820 3.902 3.817 4.001 . 0 0 "[ . 1 . 2]" 1 57 1 27 ALA HA 1 47 ALA MB . . 3.950 3.850 3.602 4.009 0.059 14 0 "[ . 1 . 2]" 1 58 1 44 LYS HA 1 47 ALA MB . . 4.270 3.070 2.779 3.345 . 0 0 "[ . 1 . 2]" 1 59 1 28 LEU H 1 47 ALA MB . . 4.370 3.485 3.149 3.977 . 0 0 "[ . 1 . 2]" 1 60 1 43 VAL HA 1 47 ALA MB . . 4.590 3.887 3.804 4.030 . 0 0 "[ . 1 . 2]" 1 61 1 49 ASP HB3 1 50 ASN H . . 4.620 2.794 2.757 2.837 . 0 0 "[ . 1 . 2]" 1 62 1 48 PHE HB3 1 51 ALA MB . . 3.790 3.055 2.244 3.601 . 0 0 "[ . 1 . 2]" 1 63 1 51 ALA MB 1 52 ASP HA . . 4.840 4.262 3.797 4.586 . 0 0 "[ . 1 . 2]" 1 64 1 48 PHE HA 1 51 ALA MB . . 4.720 4.609 4.269 4.773 0.053 14 0 "[ . 1 . 2]" 1 65 1 49 ASP H 1 51 ALA MB . . 5.000 4.963 4.794 5.055 0.055 9 0 "[ . 1 . 2]" 1 66 1 63 TRP HA 1 63 TRP HD1 . . 4.290 3.333 2.888 4.331 0.041 10 0 "[ . 1 . 2]" 1 67 1 56 TYR HA 1 56 TYR HD1 . . 4.210 4.124 4.002 4.296 0.086 9 0 "[ . 1 . 2]" 1 68 1 63 TRP HA 1 66 LEU H . . 4.660 3.344 3.193 3.523 . 0 0 "[ . 1 . 2]" 1 69 1 63 TRP HA 1 66 LEU HG . . 4.490 4.306 4.054 4.509 0.019 18 0 "[ . 1 . 2]" 1 70 1 56 TYR HA 1 59 LEU MD2 . . 4.980 2.311 1.964 3.685 . 0 0 "[ . 1 . 2]" 1 71 1 59 LEU HB3 1 60 LYS H . . 4.630 3.871 3.713 4.174 . 0 0 "[ . 1 . 2]" 1 72 1 59 LEU HA 1 59 LEU MD2 . . 4.250 3.978 2.174 4.121 . 0 0 "[ . 1 . 2]" 1 73 1 59 LEU HA 1 59 LEU MD1 . . 4.250 3.566 3.399 3.969 . 0 0 "[ . 1 . 2]" 1 74 1 66 LEU HA 1 66 LEU HG . . 3.970 2.527 2.277 3.470 . 0 0 "[ . 1 . 2]" 1 75 1 63 TRP HA 1 64 LYS HA . . 5.050 4.849 4.801 4.878 . 0 0 "[ . 1 . 2]" 1 76 1 64 LYS HA 1 66 LEU H . . 4.650 4.264 4.169 4.565 . 0 0 "[ . 1 . 2]" 1 77 1 65 THR HA 1 68 HIS H . . 4.270 3.678 3.491 3.837 . 0 0 "[ . 1 . 2]" 1 78 1 66 LEU HA 1 69 THR HA . . 5.500 5.550 5.462 5.635 0.135 15 0 "[ . 1 . 2]" 1 79 1 67 VAL HA 1 90 VAL MG2 . . 4.730 3.669 2.438 4.344 . 0 0 "[ . 1 . 2]" 1 80 1 57 VAL HB 1 58 ASP H . . 4.080 3.980 3.965 4.005 . 0 0 "[ . 1 . 2]" 1 81 1 64 LYS HA 1 67 VAL HB . . 5.210 3.954 3.396 4.811 . 0 0 "[ . 1 . 2]" 1 82 1 67 VAL HB 1 68 HIS H . . 4.100 2.874 2.238 3.939 . 0 0 "[ . 1 . 2]" 1 83 1 69 THR HA 1 72 ILE MD . . 4.780 4.674 4.552 4.815 0.035 17 0 "[ . 1 . 2]" 1 84 1 69 THR HA 1 72 ILE HB . . 5.190 4.990 4.800 5.222 0.032 19 0 "[ . 1 . 2]" 1 85 1 66 LEU HA 1 69 THR HB . . 4.080 2.827 2.711 3.034 . 0 0 "[ . 1 . 2]" 1 86 1 70 ALA HA 1 87 LEU HB3 . . 4.420 2.082 1.955 2.712 . 0 0 "[ . 1 . 2]" 1 87 1 69 THR MG 1 70 ALA HA . . 4.100 3.346 2.827 3.622 . 0 0 "[ . 1 . 2]" 1 88 1 70 ALA HA 1 87 LEU MD2 . . 4.070 2.158 1.974 2.462 . 0 0 "[ . 1 . 2]" 1 89 1 67 VAL HA 1 70 ALA MB . . 3.780 2.693 2.419 2.842 . 0 0 "[ . 1 . 2]" 1 90 1 70 ALA MB 1 90 VAL HB . . 4.820 4.122 3.116 4.959 0.139 8 0 "[ . 1 . 2]" 1 91 1 70 ALA MB 1 91 LEU MD1 . . 3.070 1.899 1.744 3.223 0.153 18 0 "[ . 1 . 2]" 1 92 1 67 VAL MG1 1 70 ALA MB . . 4.640 3.688 3.036 4.749 0.109 14 0 "[ . 1 . 2]" 1 93 1 68 HIS HA 1 70 ALA MB . . 4.700 4.581 4.493 4.699 . 0 0 "[ . 1 . 2]" 1 94 1 72 ILE HB 1 73 ALA HA . . 4.810 4.712 4.661 4.782 . 0 0 "[ . 1 . 2]" 1 95 1 73 ALA HA 1 74 PRO HA . . 4.590 4.405 4.390 4.424 . 0 0 "[ . 1 . 2]" 1 96 1 72 ILE MG 1 73 ALA MB . . 4.080 2.368 2.203 2.464 . 0 0 "[ . 1 . 2]" 1 97 1 96 TYR HA 1 96 TYR HD2 . . 4.500 4.335 4.231 4.503 0.003 1 0 "[ . 1 . 2]" 1 98 1 92 ALA MB 1 94 HIS H . . 4.920 4.511 4.409 4.660 . 0 0 "[ . 1 . 2]" 1 99 1 95 ALA MB 1 96 TYR HB3 . . 4.670 4.520 4.455 4.573 . 0 0 "[ . 1 . 2]" 1 100 1 95 ALA MB 1 99 GLN H . . 4.940 4.826 4.468 4.890 . 0 0 "[ . 1 . 2]" 1 101 1 33 GLU HG3 1 93 ALA MB . . 3.820 3.437 2.687 3.785 . 0 0 "[ . 1 . 2]" 1 102 1 92 ALA MB 1 93 ALA MB . . 3.660 3.501 3.403 3.642 . 0 0 "[ . 1 . 2]" 1 103 1 93 ALA MB 1 96 TYR HB3 . . 4.360 4.003 3.857 4.374 0.014 17 0 "[ . 1 . 2]" 1 104 1 33 GLU HA 1 93 ALA MB . . 3.210 2.364 2.179 2.685 . 0 0 "[ . 1 . 2]" 1 105 1 36 GLY HA3 1 93 ALA MB . . 4.980 5.018 4.971 5.156 0.176 10 0 "[ . 1 . 2]" 1 106 1 37 THR MG 1 93 ALA MB . . 3.770 3.428 3.019 3.811 0.041 16 0 "[ . 1 . 2]" 1 107 1 93 ALA MB 1 97 TRP HD1 . . 2.980 2.386 2.175 2.715 . 0 0 "[ . 1 . 2]" 1 108 1 91 LEU H 1 91 LEU HB3 . . 3.960 3.456 3.287 3.541 . 0 0 "[ . 1 . 2]" 1 109 1 91 LEU HB3 1 92 ALA H . . 4.290 3.402 2.935 3.740 . 0 0 "[ . 1 . 2]" 1 110 1 91 LEU HB3 1 91 LEU MD1 . . 3.670 2.706 2.325 3.190 . 0 0 "[ . 1 . 2]" 1 111 1 91 LEU HA 1 91 LEU MD2 . . 3.980 2.719 1.931 3.823 . 0 0 "[ . 1 . 2]" 1 112 1 91 LEU HA 1 91 LEU HG . . 3.770 2.809 2.600 3.675 . 0 0 "[ . 1 . 2]" 1 113 1 90 VAL HA 1 93 ALA MB . . 4.200 3.364 2.785 3.592 . 0 0 "[ . 1 . 2]" 1 114 1 89 ARG HA 1 92 ALA H . . 4.360 3.410 3.283 3.522 . 0 0 "[ . 1 . 2]" 1 115 1 89 ARG HA 1 89 ARG HG3 . . 4.180 3.509 2.915 3.808 . 0 0 "[ . 1 . 2]" 1 116 1 89 ARG HA 1 92 ALA MB . . 3.600 2.594 2.238 2.937 . 0 0 "[ . 1 . 2]" 1 117 1 87 LEU HA 1 90 VAL H . . 4.210 3.621 3.393 3.850 . 0 0 "[ . 1 . 2]" 1 118 1 87 LEU HA 1 87 LEU MD1 . . 4.310 3.809 3.781 3.864 . 0 0 "[ . 1 . 2]" 1 119 1 86 LEU HB3 1 87 LEU HA . . 4.710 4.446 4.246 4.698 . 0 0 "[ . 1 . 2]" 1 120 1 87 LEU HA 1 90 VAL HB . . 4.800 3.114 2.344 3.697 . 0 0 "[ . 1 . 2]" 1 121 1 86 LEU HB3 1 87 LEU H . . 4.760 3.587 3.329 3.949 . 0 0 "[ . 1 . 2]" 1 122 1 86 LEU HA 1 86 LEU HG . . 3.870 3.310 3.177 3.467 . 0 0 "[ . 1 . 2]" 1 123 1 85 ASP HB3 1 86 LEU H . . 4.440 2.610 2.444 2.750 . 0 0 "[ . 1 . 2]" 1 124 1 84 GLN HA 1 87 LEU HB3 . . 4.390 4.198 3.912 4.417 0.027 12 0 "[ . 1 . 2]" 1 125 1 84 GLN HA 1 87 LEU HG . . 5.210 3.486 3.279 3.735 . 0 0 "[ . 1 . 2]" 1 126 1 84 GLN HA 1 85 ASP HA . . 5.010 4.794 4.762 4.842 . 0 0 "[ . 1 . 2]" 1 127 1 84 GLN HA 1 88 ASP H . . 4.380 3.678 3.275 3.989 . 0 0 "[ . 1 . 2]" 1 128 1 84 GLN HA 1 87 LEU HA . . 5.500 5.310 5.132 5.468 . 0 0 "[ . 1 . 2]" 1 129 1 84 GLN HA 1 87 LEU MD1 . . 4.860 3.114 2.843 3.256 . 0 0 "[ . 1 . 2]" 1 130 1 82 VAL HA 1 83 PRO HD3 . . 3.550 2.257 2.252 2.264 . 0 0 "[ . 1 . 2]" 1 131 1 82 VAL H 1 82 VAL HB . . 3.970 3.323 2.677 3.897 . 0 0 "[ . 1 . 2]" 1 132 1 80 GLU HA 1 81 PRO HD3 . . 3.280 2.324 2.251 2.352 . 0 0 "[ . 1 . 2]" 1 133 1 80 GLU HB3 1 81 PRO HD3 . . 4.770 3.852 3.439 4.645 . 0 0 "[ . 1 . 2]" 1 134 1 22 VAL HA 1 22 VAL MG2 . . 3.580 2.649 2.280 3.203 . 0 0 "[ . 1 . 2]" 1 135 1 22 VAL MG2 1 83 PRO HD3 . . 4.850 3.197 2.059 4.868 0.018 11 0 "[ . 1 . 2]" 1 136 1 22 VAL MG2 1 23 ALA H . . 4.320 3.238 1.976 3.918 . 0 0 "[ . 1 . 2]" 1 137 1 22 VAL MG1 1 23 ALA H . . 4.320 3.706 3.457 4.017 . 0 0 "[ . 1 . 2]" 1 138 1 22 VAL H 1 22 VAL MG1 . . 4.000 3.239 2.156 3.766 . 0 0 "[ . 1 . 2]" 1 139 1 22 VAL MG1 1 83 PRO HD3 . . 4.850 2.802 1.907 3.514 . 0 0 "[ . 1 . 2]" 1 140 1 25 VAL HA 1 25 VAL MG1 . . 3.430 2.485 2.307 3.179 . 0 0 "[ . 1 . 2]" 1 141 1 25 VAL MG1 1 26 GLU H . . 4.020 3.345 1.888 3.733 . 0 0 "[ . 1 . 2]" 1 142 1 29 VAL HA 1 29 VAL MG2 . . 3.710 2.380 2.288 2.447 . 0 0 "[ . 1 . 2]" 1 143 1 29 VAL MG2 1 30 GLU H . . 3.700 3.496 3.191 3.710 0.010 3 0 "[ . 1 . 2]" 1 144 1 29 VAL H 1 29 VAL MG1 . . 3.840 2.913 1.832 3.774 . 0 0 "[ . 1 . 2]" 1 145 1 22 VAL HA 1 22 VAL MG1 . . 3.580 2.313 2.185 2.398 . 0 0 "[ . 1 . 2]" 1 146 1 29 VAL HA 1 29 VAL MG1 . . 3.710 2.700 2.195 3.201 . 0 0 "[ . 1 . 2]" 1 147 1 31 ALA MB 1 32 VAL MG1 . . 5.270 4.544 3.719 5.074 . 0 0 "[ . 1 . 2]" 1 148 1 32 VAL MG1 1 36 GLY HA2 . . 4.980 3.912 3.143 5.094 0.114 2 0 "[ . 1 . 2]" 1 149 1 32 VAL HA 1 32 VAL MG1 . . 3.330 2.763 2.393 3.203 . 0 0 "[ . 1 . 2]" 1 150 1 29 VAL HA 1 32 VAL MG1 . . 4.560 3.006 1.839 3.942 . 0 0 "[ . 1 . 2]" 1 151 1 31 ALA MB 1 32 VAL MG2 . . 5.270 3.830 3.068 4.875 . 0 0 "[ . 1 . 2]" 1 152 1 43 VAL HA 1 43 VAL MG2 . . 3.290 2.333 2.288 2.369 . 0 0 "[ . 1 . 2]" 1 153 1 40 TRP HA 1 43 VAL MG2 . . 3.580 2.682 2.259 3.214 . 0 0 "[ . 1 . 2]" 1 154 1 42 ASP HB3 1 43 VAL MG2 . . 4.830 4.452 4.049 4.647 . 0 0 "[ . 1 . 2]" 1 155 1 32 VAL HA 1 43 VAL MG2 . . 3.810 2.251 1.962 2.522 . 0 0 "[ . 1 . 2]" 1 156 1 43 VAL MG2 1 46 ARG HB3 . . 4.530 4.226 4.025 4.536 0.006 1 0 "[ . 1 . 2]" 1 157 1 31 ALA MB 1 43 VAL MG2 . . 3.370 2.570 2.266 2.744 . 0 0 "[ . 1 . 2]" 1 158 1 35 LEU HB3 1 43 VAL MG2 . . 3.600 2.964 2.331 3.415 . 0 0 "[ . 1 . 2]" 1 159 1 32 VAL MG2 1 43 VAL MG2 . . 4.420 2.631 2.006 3.204 . 0 0 "[ . 1 . 2]" 1 160 1 32 VAL MG1 1 43 VAL MG2 . . 4.420 3.810 3.583 4.079 . 0 0 "[ . 1 . 2]" 1 161 1 42 ASP HA 1 43 VAL MG2 . . 5.440 5.047 4.979 5.157 . 0 0 "[ . 1 . 2]" 1 162 1 28 LEU HA 1 43 VAL MG2 . . 5.110 4.964 4.759 5.129 0.019 9 0 "[ . 1 . 2]" 1 163 1 42 ASP H 1 43 VAL MG2 . . 4.600 4.258 4.045 4.409 . 0 0 "[ . 1 . 2]" 1 164 1 43 VAL MG2 1 47 ALA H . . 5.340 5.203 5.089 5.317 . 0 0 "[ . 1 . 2]" 1 165 1 31 ALA H 1 43 VAL MG2 . . 4.800 4.812 4.678 4.846 0.046 16 0 "[ . 1 . 2]" 1 166 1 36 GLY H 1 43 VAL MG2 . . 4.400 4.191 3.837 4.413 0.013 4 0 "[ . 1 . 2]" 1 167 1 35 LEU H 1 43 VAL MG2 . . 4.590 3.993 3.570 4.362 . 0 0 "[ . 1 . 2]" 1 168 1 31 ALA H 1 43 VAL MG1 . . 4.440 4.147 3.919 4.330 . 0 0 "[ . 1 . 2]" 1 169 1 43 VAL MG1 1 47 ALA H . . 4.220 3.655 3.473 3.761 . 0 0 "[ . 1 . 2]" 1 170 1 43 VAL MG1 1 48 PHE HD1 . . 4.240 4.159 3.881 4.289 0.049 7 0 "[ . 1 . 2]" 1 171 1 43 VAL HA 1 43 VAL MG1 . . 3.490 2.427 2.372 2.500 . 0 0 "[ . 1 . 2]" 1 172 1 31 ALA MB 1 43 VAL MG1 . . 2.960 1.897 1.804 2.015 . 0 0 "[ . 1 . 2]" 1 173 1 43 VAL MG1 1 59 LEU MD2 . . 3.640 2.558 1.973 3.050 . 0 0 "[ . 1 . 2]" 1 174 1 32 VAL HA 1 43 VAL MG1 . . 4.240 3.698 3.356 4.051 . 0 0 "[ . 1 . 2]" 1 175 1 40 TRP HA 1 43 VAL MG1 . . 4.130 3.884 3.662 3.962 . 0 0 "[ . 1 . 2]" 1 176 1 43 VAL MG1 1 44 LYS HA . . 4.300 3.410 3.232 3.553 . 0 0 "[ . 1 . 2]" 1 177 1 43 VAL MG1 1 59 LEU MD1 . . 3.640 2.147 1.810 2.938 . 0 0 "[ . 1 . 2]" 1 178 1 28 LEU H 1 43 VAL MG1 . . 5.460 5.272 4.980 5.494 0.034 6 0 "[ . 1 . 2]" 1 179 1 57 VAL HA 1 57 VAL MG2 . . 3.150 2.272 2.223 2.365 . 0 0 "[ . 1 . 2]" 1 180 1 57 VAL MG2 1 58 ASP HA . . 3.950 3.774 3.674 3.883 . 0 0 "[ . 1 . 2]" 1 181 1 57 VAL HA 1 57 VAL MG1 . . 3.300 3.194 3.190 3.204 . 0 0 "[ . 1 . 2]" 1 182 1 57 VAL MG1 1 58 ASP HA . . 4.340 3.278 3.033 3.402 . 0 0 "[ . 1 . 2]" 1 183 1 57 VAL H 1 57 VAL MG1 . . 3.130 2.063 1.923 2.263 . 0 0 "[ . 1 . 2]" 1 184 1 57 VAL MG1 1 58 ASP H . . 3.840 1.995 1.918 2.210 . 0 0 "[ . 1 . 2]" 1 185 1 67 VAL HA 1 67 VAL MG1 . . 3.230 2.659 2.287 3.198 . 0 0 "[ . 1 . 2]" 1 186 1 67 VAL MG1 1 91 LEU HA . . 4.900 4.074 2.971 5.097 0.197 14 0 "[ . 1 . 2]" 1 187 1 67 VAL MG1 1 94 HIS HA . . 5.500 5.315 4.705 5.643 0.143 17 0 "[ . 1 . 2]" 1 188 1 67 VAL H 1 67 VAL MG1 . . 3.880 3.098 1.859 3.764 . 0 0 "[ . 1 . 2]" 1 189 1 67 VAL HA 1 67 VAL MG2 . . 3.230 2.382 2.260 2.474 . 0 0 "[ . 1 . 2]" 1 190 1 67 VAL MG2 1 91 LEU HA . . 4.900 3.448 2.307 4.816 . 0 0 "[ . 1 . 2]" 1 191 1 67 VAL MG2 1 70 ALA MB . . 4.640 3.796 3.042 4.407 . 0 0 "[ . 1 . 2]" 1 192 1 67 VAL MG2 1 94 HIS HA . . 5.500 4.695 4.036 5.493 . 0 0 "[ . 1 . 2]" 1 193 1 67 VAL MG2 1 68 HIS H . . 3.850 3.610 3.395 3.827 . 0 0 "[ . 1 . 2]" 1 194 1 82 VAL HA 1 82 VAL MG1 . . 3.320 2.637 2.211 3.199 . 0 0 "[ . 1 . 2]" 1 195 1 82 VAL HA 1 82 VAL MG2 . . 3.320 2.756 2.421 3.200 . 0 0 "[ . 1 . 2]" 1 196 1 66 LEU HB3 1 90 VAL MG1 . . 4.200 2.705 1.989 4.302 0.102 15 0 "[ . 1 . 2]" 1 197 1 67 VAL HA 1 90 VAL MG1 . . 4.730 2.112 1.918 2.436 . 0 0 "[ . 1 . 2]" 1 198 1 90 VAL MG1 1 91 LEU H . . 4.210 2.569 1.966 3.373 . 0 0 "[ . 1 . 2]" 1 199 1 90 VAL H 1 90 VAL MG2 . . 3.770 2.984 1.993 3.730 . 0 0 "[ . 1 . 2]" 1 200 1 90 VAL MG2 1 91 LEU H . . 4.210 3.937 3.727 4.158 . 0 0 "[ . 1 . 2]" 1 201 1 66 LEU HB3 1 90 VAL MG2 . . 4.200 2.527 1.934 3.130 . 0 0 "[ . 1 . 2]" 1 202 1 37 THR H 1 37 THR MG . . 3.530 2.908 2.486 3.217 . 0 0 "[ . 1 . 2]" 1 203 1 37 THR MG 1 63 TRP HD1 . . 4.040 4.040 3.958 4.108 0.068 7 0 "[ . 1 . 2]" 1 204 1 37 THR HA 1 37 THR MG . . 3.250 2.227 1.963 2.449 . 0 0 "[ . 1 . 2]" 1 205 1 32 VAL MG2 1 37 THR MG . . 3.820 2.887 1.804 3.731 . 0 0 "[ . 1 . 2]" 1 206 1 32 VAL MG1 1 37 THR MG . . 3.820 2.708 1.914 3.736 . 0 0 "[ . 1 . 2]" 1 207 1 55 THR HA 1 55 THR MG . . 3.400 2.695 2.015 3.206 . 0 0 "[ . 1 . 2]" 1 208 1 65 THR HA 1 65 THR MG . . 3.210 3.205 3.200 3.207 . 0 0 "[ . 1 . 2]" 1 209 1 55 THR MG 1 57 VAL H . . 4.330 2.760 1.968 3.231 . 0 0 "[ . 1 . 2]" 1 210 1 55 THR MG 1 57 VAL HA . . 4.890 4.663 3.742 4.912 0.022 7 0 "[ . 1 . 2]" 1 211 1 55 THR MG 1 57 VAL MG1 . . 4.200 2.163 1.706 2.824 . 0 0 "[ . 1 . 2]" 1 212 1 65 THR MG 1 66 LEU H . . 3.670 2.237 2.089 2.293 . 0 0 "[ . 1 . 2]" 1 213 1 65 THR MG 1 66 LEU HA . . 4.230 3.104 3.004 3.274 . 0 0 "[ . 1 . 2]" 1 214 1 65 THR MG 1 66 LEU MD1 . . 5.470 4.177 3.811 4.508 . 0 0 "[ . 1 . 2]" 1 215 1 65 THR MG 1 66 LEU MD2 . . 5.470 4.413 3.861 4.689 . 0 0 "[ . 1 . 2]" 1 216 1 69 THR HA 1 69 THR MG . . 3.350 2.558 2.385 3.067 . 0 0 "[ . 1 . 2]" 1 217 1 32 VAL H 1 43 VAL MG1 . . 4.290 3.412 3.169 3.733 . 0 0 "[ . 1 . 2]" 1 218 1 66 LEU HA 1 69 THR MG . . 4.230 3.818 2.802 4.129 . 0 0 "[ . 1 . 2]" 1 219 1 69 THR MG 1 82 VAL HB . . 3.810 3.349 2.626 3.826 0.016 7 0 "[ . 1 . 2]" 1 220 1 69 THR MG 1 87 LEU HG . . 3.510 3.673 3.567 3.790 0.280 15 0 "[ . 1 . 2]" 1 221 1 69 THR MG 1 87 LEU MD1 . . 3.130 2.012 1.913 2.379 . 0 0 "[ . 1 . 2]" 1 222 1 69 THR MG 1 87 LEU MD2 . . 3.130 1.866 1.736 1.929 . 0 0 "[ . 1 . 2]" 1 223 1 28 LEU MD1 1 62 LYS H . . 5.210 4.738 4.410 5.192 . 0 0 "[ . 1 . 2]" 1 224 1 28 LEU HA 1 28 LEU MD1 . . 4.080 2.612 2.241 3.139 . 0 0 "[ . 1 . 2]" 1 225 1 28 LEU MD1 1 43 VAL MG2 . . 5.020 3.995 3.554 4.446 . 0 0 "[ . 1 . 2]" 1 226 1 28 LEU MD2 1 43 VAL MG2 . . 5.020 4.421 3.645 4.946 . 0 0 "[ . 1 . 2]" 1 227 1 28 LEU MD2 1 62 LYS H . . 5.210 4.325 3.883 4.628 . 0 0 "[ . 1 . 2]" 1 228 1 28 LEU HA 1 28 LEU MD2 . . 4.080 2.127 1.933 2.386 . 0 0 "[ . 1 . 2]" 1 229 1 35 LEU HA 1 35 LEU MD2 . . 4.090 2.616 2.241 2.904 . 0 0 "[ . 1 . 2]" 1 230 1 35 LEU MD2 1 42 ASP HA . . 4.870 4.347 3.839 4.917 0.047 7 0 "[ . 1 . 2]" 1 231 1 35 LEU MD2 1 43 VAL HA . . 4.480 3.789 2.823 4.427 . 0 0 "[ . 1 . 2]" 1 232 1 35 LEU H 1 35 LEU MD1 . . 3.900 3.449 3.277 3.716 . 0 0 "[ . 1 . 2]" 1 233 1 35 LEU MD1 1 42 ASP HA . . 4.870 3.716 3.438 4.109 . 0 0 "[ . 1 . 2]" 1 234 1 35 LEU HA 1 35 LEU MD1 . . 4.090 3.159 1.938 3.976 . 0 0 "[ . 1 . 2]" 1 235 1 35 LEU MD1 1 43 VAL HA . . 4.480 2.970 1.894 4.557 0.077 6 0 "[ . 1 . 2]" 1 236 1 35 LEU HG 1 36 GLY H . . 5.370 4.751 4.236 5.403 0.033 6 0 "[ . 1 . 2]" 1 237 1 87 LEU HA 1 87 LEU MD2 . . 4.310 1.933 1.918 1.962 . 0 0 "[ . 1 . 2]" 1 238 1 70 ALA H 1 87 LEU MD2 . . 4.290 2.555 2.427 2.781 . 0 0 "[ . 1 . 2]" 1 239 1 87 LEU MD2 1 88 ASP H . . 4.900 4.578 4.520 4.672 . 0 0 "[ . 1 . 2]" 1 240 1 82 VAL HA 1 87 LEU MD2 . . 5.290 5.277 5.003 5.341 0.051 12 0 "[ . 1 . 2]" 1 241 1 84 GLN HA 1 87 LEU MD2 . . 4.860 4.796 4.628 4.906 0.046 16 0 "[ . 1 . 2]" 1 242 1 87 LEU HB3 1 87 LEU MD2 . . 3.480 2.440 2.340 2.478 . 0 0 "[ . 1 . 2]" 1 243 1 70 ALA HA 1 87 LEU MD1 . . 4.070 1.966 1.905 2.067 . 0 0 "[ . 1 . 2]" 1 244 1 87 LEU MD1 1 88 ASP H . . 4.900 4.606 4.315 4.803 . 0 0 "[ . 1 . 2]" 1 245 1 82 VAL HA 1 87 LEU MD1 . . 5.290 4.825 4.268 5.107 . 0 0 "[ . 1 . 2]" 1 246 1 87 LEU HB3 1 87 LEU MD1 . . 3.480 2.222 2.163 2.342 . 0 0 "[ . 1 . 2]" 1 247 1 40 TRP HA 1 59 LEU MD1 . . 4.390 2.255 1.906 2.670 . 0 0 "[ . 1 . 2]" 1 248 1 56 TYR HA 1 59 LEU MD1 . . 4.980 4.139 2.607 4.995 0.015 13 0 "[ . 1 . 2]" 1 249 1 31 ALA MB 1 59 LEU MD2 . . 5.500 4.957 4.541 5.271 . 0 0 "[ . 1 . 2]" 1 250 1 40 TRP HA 1 59 LEU MD2 . . 4.390 3.066 2.122 4.500 0.110 15 0 "[ . 1 . 2]" 1 251 1 59 LEU H 1 59 LEU MD2 . . 4.300 3.020 2.761 3.205 . 0 0 "[ . 1 . 2]" 1 252 1 59 LEU MD2 1 60 LYS H . . 4.430 3.848 3.651 4.408 . 0 0 "[ . 1 . 2]" 1 253 1 66 LEU HB3 1 66 LEU MD1 . . 3.660 2.436 2.249 3.195 . 0 0 "[ . 1 . 2]" 1 254 1 66 LEU HA 1 66 LEU MD1 . . 4.200 3.688 2.427 3.784 . 0 0 "[ . 1 . 2]" 1 255 1 66 LEU H 1 66 LEU MD2 . . 4.620 4.230 4.069 4.359 . 0 0 "[ . 1 . 2]" 1 256 1 66 LEU HB3 1 66 LEU MD2 . . 3.660 2.258 2.147 2.364 . 0 0 "[ . 1 . 2]" 1 257 1 66 LEU HA 1 66 LEU MD2 . . 4.200 2.500 2.152 3.979 . 0 0 "[ . 1 . 2]" 1 258 1 66 LEU MD2 1 67 VAL H . . 4.620 3.986 3.761 4.365 . 0 0 "[ . 1 . 2]" 1 259 1 72 ILE HA 1 72 ILE MG . . 3.040 2.487 2.446 2.551 . 0 0 "[ . 1 . 2]" 1 260 1 68 HIS H 1 72 ILE MG . . 5.500 5.088 5.019 5.249 . 0 0 "[ . 1 . 2]" 1 261 1 71 SER H 1 72 ILE MG . . 5.500 5.075 5.033 5.139 . 0 0 "[ . 1 . 2]" 1 262 1 72 ILE HB 1 72 ILE MD . . 3.160 2.244 2.196 2.352 . 0 0 "[ . 1 . 2]" 1 263 1 72 ILE MD 1 72 ILE MG . . 3.330 3.232 3.212 3.254 . 0 0 "[ . 1 . 2]" 1 264 1 72 ILE MD 1 91 LEU MD1 . . 3.490 2.983 2.550 3.496 0.006 3 0 "[ . 1 . 2]" 1 265 1 72 ILE HA 1 72 ILE MD . . 3.720 2.861 2.561 3.012 . 0 0 "[ . 1 . 2]" 1 266 1 72 ILE MD 1 73 ALA H . . 4.090 3.808 3.723 3.950 . 0 0 "[ . 1 . 2]" 1 267 1 67 VAL HB 1 72 ILE MD . . 5.500 4.269 3.724 4.794 . 0 0 "[ . 1 . 2]" 1 268 1 86 LEU HA 1 86 LEU MD2 . . 3.150 2.055 1.950 2.229 . 0 0 "[ . 1 . 2]" 1 269 1 86 LEU MD2 1 87 LEU H . . 4.620 4.490 4.342 4.599 . 0 0 "[ . 1 . 2]" 1 270 1 26 GLU HA 1 86 LEU MD2 . . 3.310 2.041 1.877 2.600 . 0 0 "[ . 1 . 2]" 1 271 1 72 ILE MD 1 91 LEU MD2 . . 3.490 2.692 1.879 3.497 0.007 2 0 "[ . 1 . 2]" 1 272 1 86 LEU HB3 1 86 LEU MD2 . . 3.190 2.431 2.355 2.488 . 0 0 "[ . 1 . 2]" 1 273 1 25 VAL HB 1 86 LEU MD1 . . 4.040 2.667 1.960 4.065 0.025 1 0 "[ . 1 . 2]" 1 274 1 83 PRO HD3 1 86 LEU MD1 . . 3.960 3.778 3.532 3.964 0.004 13 0 "[ . 1 . 2]" 1 275 1 26 GLU HA 1 86 LEU MD1 . . 3.670 2.422 1.958 2.867 . 0 0 "[ . 1 . 2]" 1 276 1 86 LEU HA 1 86 LEU MD1 . . 3.900 3.817 3.748 3.885 . 0 0 "[ . 1 . 2]" 1 277 1 82 VAL HA 1 86 LEU MD1 . . 5.410 4.965 4.553 5.313 . 0 0 "[ . 1 . 2]" 1 278 1 86 LEU HB3 1 86 LEU MD1 . . 3.530 2.309 2.162 2.415 . 0 0 "[ . 1 . 2]" 1 279 1 70 ALA MB 1 91 LEU MD2 . . 3.070 2.253 1.762 2.785 . 0 0 "[ . 1 . 2]" 1 280 1 67 VAL HA 1 91 LEU MD2 . . 5.060 3.965 2.369 5.063 0.003 13 0 "[ . 1 . 2]" 1 281 1 91 LEU HA 1 91 LEU MD1 . . 3.980 3.017 1.952 3.849 . 0 0 "[ . 1 . 2]" 1 282 1 91 LEU H 1 91 LEU MD1 . . 3.800 3.329 2.305 4.083 0.283 18 0 "[ . 1 . 2]" 1 283 1 67 VAL HA 1 91 LEU MD1 . . 5.060 3.825 2.190 5.021 . 0 0 "[ . 1 . 2]" 1 284 1 91 LEU HB3 1 91 LEU MD2 . . 3.670 2.428 2.227 3.191 . 0 0 "[ . 1 . 2]" 1 285 1 70 ALA MB 1 91 LEU HG . . 4.070 2.740 1.992 3.872 . 0 0 "[ . 1 . 2]" 1 286 1 78 ARG HA 1 78 ARG HG3 . . 3.860 3.014 2.023 3.810 . 0 0 "[ . 1 . 2]" 1 287 1 78 ARG HB3 1 78 ARG HD3 . . 4.070 3.281 2.191 4.073 0.003 2 0 "[ . 1 . 2]" 1 288 1 78 ARG HA 1 78 ARG HD3 . . 4.270 3.399 2.118 4.251 . 0 0 "[ . 1 . 2]" 1 289 1 30 GLU HA 1 30 GLU HG3 . . 4.090 3.078 2.600 3.722 . 0 0 "[ . 1 . 2]" 1 290 1 83 PRO HB3 1 86 LEU H . . 4.680 4.357 4.137 4.551 . 0 0 "[ . 1 . 2]" 1 291 1 83 PRO HB3 1 85 ASP H . . 4.880 4.072 3.972 4.198 . 0 0 "[ . 1 . 2]" 1 292 1 83 PRO HB3 1 86 LEU MD1 . . 4.690 4.060 3.536 4.454 . 0 0 "[ . 1 . 2]" 1 293 1 75 GLN HA 1 75 GLN HG3 . . 3.930 3.739 3.626 3.862 . 0 0 "[ . 1 . 2]" 1 294 1 73 ALA MB 1 75 GLN HG3 . . 4.940 3.664 2.833 4.917 . 0 0 "[ . 1 . 2]" 1 295 1 51 ALA H 1 51 ALA MB . . 3.120 2.383 2.104 2.783 . 0 0 "[ . 1 . 2]" 1 296 1 50 ASN H 1 51 ALA H . . 3.860 3.374 2.155 3.726 . 0 0 "[ . 1 . 2]" 1 297 1 21 SER H 1 24 GLU H . . 3.920 3.468 2.972 3.881 . 0 0 "[ . 1 . 2]" 1 298 1 20 PHE QD 1 21 SER H . . 4.610 3.956 3.355 4.327 . 0 0 "[ . 1 . 2]" 1 299 1 21 SER H 1 21 SER HB3 . . 3.820 3.636 3.535 3.746 . 0 0 "[ . 1 . 2]" 1 300 1 20 PHE HA 1 21 SER H . . 2.860 2.213 2.143 2.241 . 0 0 "[ . 1 . 2]" 1 301 1 21 SER H 1 23 ALA MB . . 5.330 5.013 4.573 5.369 0.039 18 0 "[ . 1 . 2]" 1 302 1 21 SER H 1 23 ALA H . . 5.230 4.841 4.464 5.155 . 0 0 "[ . 1 . 2]" 1 303 1 58 ASP HA 1 60 LYS H . . 4.940 4.331 4.001 4.908 . 0 0 "[ . 1 . 2]" 1 304 1 59 LEU HG 1 60 LYS H . . 3.490 2.277 1.913 3.582 0.092 15 0 "[ . 1 . 2]" 1 305 1 59 LEU MD1 1 60 LYS H . . 4.430 3.111 2.178 4.000 . 0 0 "[ . 1 . 2]" 1 306 1 38 GLY H 1 40 TRP H . . 5.500 5.300 4.924 5.535 0.035 11 0 "[ . 1 . 2]" 1 307 1 39 ARG H 1 40 TRP H . . 3.610 3.489 3.091 3.634 0.024 16 0 "[ . 1 . 2]" 1 308 1 39 ARG HA 1 40 TRP H . . 3.340 2.385 2.298 2.507 . 0 0 "[ . 1 . 2]" 1 309 1 40 TRP H 1 40 TRP HB3 . . 3.600 3.589 3.579 3.597 . 0 0 "[ . 1 . 2]" 1 310 1 40 TRP H 1 43 VAL MG2 . . 5.010 4.351 4.061 4.564 . 0 0 "[ . 1 . 2]" 1 311 1 39 ARG HG3 1 40 TRP H . . 5.500 5.163 4.879 5.587 0.087 10 0 "[ . 1 . 2]" 1 312 1 40 TRP H 1 43 VAL HB . . 5.180 5.108 4.957 5.203 0.023 1 0 "[ . 1 . 2]" 1 313 1 30 GLU H 1 31 ALA H . . 3.200 2.794 2.657 2.881 . 0 0 "[ . 1 . 2]" 1 314 1 29 VAL H 1 31 ALA H . . 4.480 4.086 3.809 4.326 . 0 0 "[ . 1 . 2]" 1 315 1 31 ALA H 1 33 GLU H . . 4.320 3.845 3.619 3.995 . 0 0 "[ . 1 . 2]" 1 316 1 28 LEU HA 1 31 ALA H . . 4.070 3.856 3.628 4.043 . 0 0 "[ . 1 . 2]" 1 317 1 31 ALA H 1 32 VAL HA . . 5.280 5.215 5.180 5.305 0.025 13 0 "[ . 1 . 2]" 1 318 1 29 VAL HA 1 31 ALA H . . 4.560 4.296 4.012 4.537 . 0 0 "[ . 1 . 2]" 1 319 1 31 ALA H 1 31 ALA MB . . 2.820 2.209 2.032 2.261 . 0 0 "[ . 1 . 2]" 1 320 1 31 ALA H 1 47 ALA MB . . 3.950 3.873 3.547 3.996 0.046 8 0 "[ . 1 . 2]" 1 321 1 21 SER HA 1 22 VAL H . . 3.110 2.457 2.344 2.616 . 0 0 "[ . 1 . 2]" 1 322 1 21 SER HB3 1 22 VAL H . . 3.830 2.395 2.005 2.707 . 0 0 "[ . 1 . 2]" 1 323 1 22 VAL H 1 22 VAL HB . . 3.640 2.949 2.541 3.615 . 0 0 "[ . 1 . 2]" 1 324 1 22 VAL H 1 22 VAL MG2 . . 4.000 2.029 1.921 2.189 . 0 0 "[ . 1 . 2]" 1 325 1 22 VAL H 1 24 GLU H . . 4.600 4.280 3.998 4.499 . 0 0 "[ . 1 . 2]" 1 326 1 50 ASN H 1 50 ASN HB3 . . 3.900 3.234 2.637 3.749 . 0 0 "[ . 1 . 2]" 1 327 1 49 ASP H 1 50 ASN H . . 2.960 2.519 2.493 2.587 . 0 0 "[ . 1 . 2]" 1 328 1 48 PHE HA 1 49 ASP H . . 3.530 2.145 2.142 2.149 . 0 0 "[ . 1 . 2]" 1 329 1 49 ASP H 1 49 ASP HB3 . . 2.990 2.593 2.362 2.862 . 0 0 "[ . 1 . 2]" 1 330 1 50 ASN HA 1 51 ALA H . . 3.420 2.559 2.324 3.517 0.097 13 0 "[ . 1 . 2]" 1 331 1 49 ASP HA 1 51 ALA H . . 4.800 4.368 3.703 4.829 0.029 9 0 "[ . 1 . 2]" 1 332 1 47 ALA H 1 48 PHE H . . 2.890 2.747 2.638 2.819 . 0 0 "[ . 1 . 2]" 1 333 1 48 PHE H 1 48 PHE HD1 . . 3.470 1.972 1.935 2.124 . 0 0 "[ . 1 . 2]" 1 334 1 44 LYS HA 1 48 PHE H . . 3.610 2.989 2.707 3.203 . 0 0 "[ . 1 . 2]" 1 335 1 48 PHE H 1 48 PHE HB3 . . 3.770 3.594 3.569 3.618 . 0 0 "[ . 1 . 2]" 1 336 1 47 ALA MB 1 48 PHE H . . 3.330 2.015 1.922 2.178 . 0 0 "[ . 1 . 2]" 1 337 1 47 ALA H 1 48 PHE HD1 . . 4.250 4.022 3.779 4.250 . 0 0 "[ . 1 . 2]" 1 338 1 42 ASP H 1 45 MET H . . 5.170 4.997 4.639 5.098 . 0 0 "[ . 1 . 2]" 1 339 1 43 VAL HA 1 47 ALA H . . 4.040 3.596 3.496 3.713 . 0 0 "[ . 1 . 2]" 1 340 1 47 ALA H 1 47 ALA MB . . 2.900 2.268 2.244 2.313 . 0 0 "[ . 1 . 2]" 1 341 1 31 ALA MB 1 47 ALA H . . 3.390 3.075 2.841 3.293 . 0 0 "[ . 1 . 2]" 1 342 1 47 ALA H 1 48 PHE HA . . 5.400 5.233 5.167 5.308 . 0 0 "[ . 1 . 2]" 1 343 1 46 ARG HB3 1 47 ALA H . . 3.280 2.690 2.607 2.820 . 0 0 "[ . 1 . 2]" 1 344 1 45 MET H 1 46 ARG H . . 3.130 2.500 2.485 2.532 . 0 0 "[ . 1 . 2]" 1 345 1 46 ARG H 1 47 ALA H . . 3.340 2.477 2.380 2.554 . 0 0 "[ . 1 . 2]" 1 346 1 46 ARG H 1 46 ARG HB3 . . 3.020 2.326 2.262 2.446 . 0 0 "[ . 1 . 2]" 1 347 1 46 ARG H 1 47 ALA MB . . 4.580 4.245 4.149 4.328 . 0 0 "[ . 1 . 2]" 1 348 1 46 ARG H 1 46 ARG HG3 . . 4.570 4.347 4.197 4.670 0.100 7 0 "[ . 1 . 2]" 1 349 1 43 VAL HA 1 46 ARG H . . 3.790 3.493 3.352 3.573 . 0 0 "[ . 1 . 2]" 1 350 1 45 MET H 1 45 MET HG3 . . 3.430 3.096 1.973 3.436 0.006 7 0 "[ . 1 . 2]" 1 351 1 44 LYS H 1 45 MET H . . 3.440 2.623 2.524 2.699 . 0 0 "[ . 1 . 2]" 1 352 1 42 ASP H 1 44 LYS H . . 4.430 4.125 3.886 4.195 . 0 0 "[ . 1 . 2]" 1 353 1 42 ASP HA 1 44 LYS H . . 4.390 4.145 4.069 4.254 . 0 0 "[ . 1 . 2]" 1 354 1 43 VAL MG1 1 44 LYS H . . 3.690 3.442 3.313 3.534 . 0 0 "[ . 1 . 2]" 1 355 1 44 LYS H 1 59 LEU MD1 . . 4.780 3.976 2.542 4.785 0.005 16 0 "[ . 1 . 2]" 1 356 1 43 VAL MG2 1 44 LYS H . . 4.320 4.012 3.930 4.073 . 0 0 "[ . 1 . 2]" 1 357 1 44 LYS H 1 59 LEU MD2 . . 4.780 2.665 2.371 3.586 . 0 0 "[ . 1 . 2]" 1 358 1 44 LYS H 1 46 ARG H . . 4.000 3.825 3.775 3.976 . 0 0 "[ . 1 . 2]" 1 359 1 44 LYS HA 1 47 ALA H . . 4.480 3.643 3.475 3.743 . 0 0 "[ . 1 . 2]" 1 360 1 43 VAL H 1 44 LYS H . . 2.720 2.620 2.500 2.720 . 0 0 "[ . 1 . 2]" 1 361 1 43 VAL H 1 45 MET H . . 4.460 4.316 4.109 4.458 . 0 0 "[ . 1 . 2]" 1 362 1 40 TRP HA 1 43 VAL H . . 3.520 3.361 3.233 3.443 . 0 0 "[ . 1 . 2]" 1 363 1 42 ASP HB3 1 43 VAL H . . 4.140 3.859 3.569 4.028 . 0 0 "[ . 1 . 2]" 1 364 1 43 VAL H 1 43 VAL HB . . 3.080 2.416 2.364 2.464 . 0 0 "[ . 1 . 2]" 1 365 1 43 VAL H 1 43 VAL MG2 . . 3.010 2.349 2.206 2.486 . 0 0 "[ . 1 . 2]" 1 366 1 35 LEU HB3 1 43 VAL H . . 4.730 4.256 3.728 4.609 . 0 0 "[ . 1 . 2]" 1 367 1 43 VAL H 1 43 VAL MG1 . . 3.790 3.741 3.723 3.755 . 0 0 "[ . 1 . 2]" 1 368 1 43 VAL H 1 46 ARG HB3 . . 5.140 4.694 4.522 5.024 . 0 0 "[ . 1 . 2]" 1 369 1 42 ASP H 1 43 VAL H . . 3.050 2.617 2.502 2.691 . 0 0 "[ . 1 . 2]" 1 370 1 42 ASP H 1 43 VAL HA . . 5.340 5.226 5.120 5.290 . 0 0 "[ . 1 . 2]" 1 371 1 42 ASP H 1 43 VAL HB . . 4.740 4.745 4.609 4.805 0.065 11 0 "[ . 1 . 2]" 1 372 1 42 ASP H 1 42 ASP HB3 . . 3.620 3.586 3.521 3.611 . 0 0 "[ . 1 . 2]" 1 373 1 51 ALA MB 1 52 ASP H . . 4.560 3.450 1.912 3.721 . 0 0 "[ . 1 . 2]" 1 374 1 51 ALA H 1 52 ASP H . . 4.960 3.543 2.539 4.534 . 0 0 "[ . 1 . 2]" 1 375 1 49 ASP H 1 51 ALA H . . 5.500 5.021 3.846 5.510 0.010 3 0 "[ . 1 . 2]" 1 376 1 51 ALA HA 1 53 HIS H . . 4.660 4.204 3.143 4.701 0.041 14 0 "[ . 1 . 2]" 1 377 1 53 HIS H 1 54 ARG H . . 4.860 2.976 1.892 4.538 . 0 0 "[ . 1 . 2]" 1 378 1 73 ALA H 1 73 ALA MB . . 2.720 2.247 2.214 2.341 . 0 0 "[ . 1 . 2]" 1 379 1 72 ILE HB 1 73 ALA H . . 2.950 2.122 2.034 2.291 . 0 0 "[ . 1 . 2]" 1 380 1 72 ILE MG 1 73 ALA H . . 3.280 2.305 2.220 2.412 . 0 0 "[ . 1 . 2]" 1 381 1 71 SER H 1 73 ALA H . . 5.010 4.856 4.699 4.984 . 0 0 "[ . 1 . 2]" 1 382 1 72 ILE H 1 73 ALA H . . 3.800 2.590 2.410 2.671 . 0 0 "[ . 1 . 2]" 1 383 1 70 ALA H 1 72 ILE H . . 4.700 4.793 4.747 4.843 0.143 5 0 "[ . 1 . 2]" 1 384 1 69 THR HA 1 72 ILE H . . 4.350 4.339 4.130 4.457 0.107 18 0 "[ . 1 . 2]" 1 385 1 72 ILE H 1 72 ILE HB . . 3.360 2.586 2.415 2.673 . 0 0 "[ . 1 . 2]" 1 386 1 72 ILE H 1 72 ILE MG . . 3.810 3.746 3.659 3.789 . 0 0 "[ . 1 . 2]" 1 387 1 72 ILE H 1 72 ILE MD . . 3.370 2.589 2.428 2.682 . 0 0 "[ . 1 . 2]" 1 388 1 71 SER H 1 72 ILE H . . 3.010 2.641 2.577 2.721 . 0 0 "[ . 1 . 2]" 1 389 1 67 VAL HA 1 71 SER H . . 5.280 4.990 4.722 5.114 . 0 0 "[ . 1 . 2]" 1 390 1 70 ALA MB 1 71 SER H . . 3.310 2.364 2.322 2.394 . 0 0 "[ . 1 . 2]" 1 391 1 71 SER H 1 72 ILE HB . . 4.830 3.810 3.723 3.918 . 0 0 "[ . 1 . 2]" 1 392 1 71 SER HA 1 72 ILE H . . 3.400 2.460 2.431 2.481 . 0 0 "[ . 1 . 2]" 1 393 1 70 ALA H 1 71 SER H . . 3.100 2.867 2.846 2.893 . 0 0 "[ . 1 . 2]" 1 394 1 69 THR HB 1 70 ALA H . . 3.530 3.058 2.882 3.570 0.040 7 0 "[ . 1 . 2]" 1 395 1 67 VAL HA 1 70 ALA H . . 3.800 3.286 3.206 3.368 . 0 0 "[ . 1 . 2]" 1 396 1 70 ALA H 1 87 LEU MD1 . . 4.290 3.824 3.597 3.978 . 0 0 "[ . 1 . 2]" 1 397 1 69 THR MG 1 70 ALA H . . 3.830 3.278 2.294 3.617 . 0 0 "[ . 1 . 2]" 1 398 1 70 ALA H 1 70 ALA MB . . 2.770 2.203 2.142 2.234 . 0 0 "[ . 1 . 2]" 1 399 1 67 VAL HB 1 70 ALA H . . 5.500 5.368 5.138 5.599 0.099 15 0 "[ . 1 . 2]" 1 400 1 70 ALA H 1 87 LEU HG . . 5.500 5.564 5.392 5.788 0.288 11 0 "[ . 1 . 2]" 1 401 1 69 THR H 1 69 THR HB . . 2.970 2.344 2.151 2.432 . 0 0 "[ . 1 . 2]" 1 402 1 66 LEU HA 1 69 THR H . . 3.950 3.634 3.545 3.747 . 0 0 "[ . 1 . 2]" 1 403 1 69 THR H 1 70 ALA MB . . 4.240 4.130 4.070 4.244 0.004 15 0 "[ . 1 . 2]" 1 404 1 69 THR H 1 69 THR MG . . 3.890 3.582 2.918 3.754 . 0 0 "[ . 1 . 2]" 1 405 1 67 VAL HA 1 69 THR H . . 4.550 4.040 3.940 4.287 . 0 0 "[ . 1 . 2]" 1 406 1 68 HIS H 1 69 THR H . . 3.160 2.715 2.624 2.777 . 0 0 "[ . 1 . 2]" 1 407 1 67 VAL H 1 68 HIS H . . 3.190 2.821 2.703 2.888 . 0 0 "[ . 1 . 2]" 1 408 1 67 VAL MG1 1 68 HIS H . . 3.850 2.785 1.932 3.521 . 0 0 "[ . 1 . 2]" 1 409 1 63 TRP HA 1 67 VAL H . . 4.210 4.068 3.764 4.271 0.061 18 0 "[ . 1 . 2]" 1 410 1 66 LEU HB3 1 67 VAL H . . 3.440 2.530 2.389 2.897 . 0 0 "[ . 1 . 2]" 1 411 1 67 VAL H 1 67 VAL HB . . 2.940 2.588 2.458 2.795 . 0 0 "[ . 1 . 2]" 1 412 1 67 VAL H 1 70 ALA MB . . 5.090 4.863 4.499 5.021 . 0 0 "[ . 1 . 2]" 1 413 1 67 VAL H 1 90 VAL MG2 . . 5.010 3.714 2.449 4.870 . 0 0 "[ . 1 . 2]" 1 414 1 66 LEU MD1 1 67 VAL H . . 4.620 4.382 3.834 4.573 . 0 0 "[ . 1 . 2]" 1 415 1 67 VAL H 1 67 VAL MG2 . . 3.880 2.693 1.870 3.763 . 0 0 "[ . 1 . 2]" 1 416 1 67 VAL H 1 90 VAL MG1 . . 5.010 3.187 2.421 3.582 . 0 0 "[ . 1 . 2]" 1 417 1 66 LEU H 1 67 VAL H . . 3.210 2.793 2.696 2.903 . 0 0 "[ . 1 . 2]" 1 418 1 67 VAL H 1 90 VAL HB . . 5.500 5.286 4.771 5.667 0.167 17 0 "[ . 1 . 2]" 1 419 1 65 THR H 1 66 LEU H . . 3.100 2.581 2.487 2.675 . 0 0 "[ . 1 . 2]" 1 420 1 65 THR HB 1 66 LEU H . . 4.060 4.007 3.951 4.058 . 0 0 "[ . 1 . 2]" 1 421 1 66 LEU H 1 68 HIS H . . 4.560 4.267 4.004 4.434 . 0 0 "[ . 1 . 2]" 1 422 1 63 TRP HD1 1 66 LEU H . . 5.500 5.177 4.850 5.607 0.107 13 0 "[ . 1 . 2]" 1 423 1 66 LEU H 1 66 LEU HB3 . . 3.450 3.152 2.163 3.358 . 0 0 "[ . 1 . 2]" 1 424 1 66 LEU H 1 66 LEU HG . . 3.870 3.725 3.359 4.113 0.243 15 0 "[ . 1 . 2]" 1 425 1 66 LEU H 1 67 VAL HA . . 5.450 5.364 5.283 5.452 0.002 6 0 "[ . 1 . 2]" 1 426 1 65 THR H 1 65 THR HB . . 3.070 2.557 2.452 2.686 . 0 0 "[ . 1 . 2]" 1 427 1 65 THR H 1 65 THR MG . . 3.140 2.096 1.906 2.243 . 0 0 "[ . 1 . 2]" 1 428 1 63 TRP HD1 1 64 LYS H . . 4.690 4.241 2.664 4.718 0.028 8 0 "[ . 1 . 2]" 1 429 1 63 TRP H 1 64 LYS H . . 3.290 2.659 2.559 2.751 . 0 0 "[ . 1 . 2]" 1 430 1 61 ASP H 1 64 LYS H . . 5.170 4.818 4.572 5.005 . 0 0 "[ . 1 . 2]" 1 431 1 61 ASP HA 1 64 LYS H . . 3.850 3.565 3.364 3.894 0.044 15 0 "[ . 1 . 2]" 1 432 1 62 LYS HA 1 64 LYS H . . 4.990 4.752 4.521 4.952 . 0 0 "[ . 1 . 2]" 1 433 1 64 LYS H 1 65 THR MG . . 4.450 4.011 3.786 4.147 . 0 0 "[ . 1 . 2]" 1 434 1 64 LYS H 1 65 THR H . . 3.240 2.896 2.785 2.998 . 0 0 "[ . 1 . 2]" 1 435 1 60 LYS H 1 63 TRP H . . 5.180 4.824 4.627 4.991 . 0 0 "[ . 1 . 2]" 1 436 1 62 LYS H 1 63 TRP H . . 3.230 2.671 2.554 2.796 . 0 0 "[ . 1 . 2]" 1 437 1 2 VAL H 1 3 ASN H . . 3.970 3.523 1.972 3.972 0.002 5 0 "[ . 1 . 2]" 1 438 1 28 LEU HG 1 63 TRP H . . 3.980 3.850 3.537 4.007 0.027 14 0 "[ . 1 . 2]" 1 439 1 28 LEU MD2 1 63 TRP H . . 3.930 3.974 3.945 4.025 0.095 10 0 "[ . 1 . 2]" 1 440 1 28 LEU MD1 1 63 TRP H . . 3.930 3.046 2.559 3.665 . 0 0 "[ . 1 . 2]" 1 441 1 61 ASP H 1 62 LYS H . . 3.230 2.601 2.501 2.780 . 0 0 "[ . 1 . 2]" 1 442 1 59 LEU HA 1 62 LYS H . . 3.800 3.475 3.338 3.639 . 0 0 "[ . 1 . 2]" 1 443 1 62 LYS H 1 62 LYS HB3 . . 3.630 3.058 2.377 3.600 . 0 0 "[ . 1 . 2]" 1 444 1 28 LEU HG 1 62 LYS H . . 5.480 4.795 4.526 5.103 . 0 0 "[ . 1 . 2]" 1 445 1 59 LEU H 1 62 LYS H . . 5.130 4.906 4.600 5.078 . 0 0 "[ . 1 . 2]" 1 446 1 62 LYS H 1 64 LYS H . . 4.630 4.347 4.151 4.590 . 0 0 "[ . 1 . 2]" 1 447 1 96 TYR H 1 96 TYR HB3 . . 3.060 2.447 2.423 2.469 . 0 0 "[ . 1 . 2]" 1 448 1 95 ALA H 1 96 TYR H . . 3.240 2.569 2.524 2.669 . 0 0 "[ . 1 . 2]" 1 449 1 96 TYR H 1 97 TRP HD1 . . 5.170 5.162 4.793 5.200 0.030 18 0 "[ . 1 . 2]" 1 450 1 96 TYR H 1 96 TYR HD2 . . 4.670 4.640 4.591 4.687 0.017 5 0 "[ . 1 . 2]" 1 451 1 60 LYS H 1 61 ASP H . . 3.400 2.608 2.474 2.830 . 0 0 "[ . 1 . 2]" 1 452 1 56 TYR HA 1 59 LEU H . . 3.870 3.610 3.284 3.868 . 0 0 "[ . 1 . 2]" 1 453 1 58 ASP HB3 1 59 LEU H . . 3.910 2.828 2.666 3.537 . 0 0 "[ . 1 . 2]" 1 454 1 59 LEU H 1 59 LEU HG . . 3.580 2.527 1.866 2.989 . 0 0 "[ . 1 . 2]" 1 455 1 59 LEU H 1 59 LEU HB3 . . 3.680 2.462 2.200 3.580 . 0 0 "[ . 1 . 2]" 1 456 1 59 LEU H 1 59 LEU MD1 . . 4.300 3.907 3.386 4.173 . 0 0 "[ . 1 . 2]" 1 457 1 59 LEU H 1 60 LYS H . . 3.460 2.561 2.445 2.742 . 0 0 "[ . 1 . 2]" 1 458 1 58 ASP H 1 59 LEU H . . 3.470 2.797 2.626 2.901 . 0 0 "[ . 1 . 2]" 1 459 1 55 THR MG 1 58 ASP H . . 4.200 2.626 1.913 4.217 0.017 5 0 "[ . 1 . 2]" 1 460 1 57 VAL H 1 58 ASP H . . 3.200 2.575 2.506 2.783 . 0 0 "[ . 1 . 2]" 1 461 1 58 ASP H 1 58 ASP HB3 . . 3.450 3.363 3.216 3.520 0.070 15 0 "[ . 1 . 2]" 1 462 1 57 VAL MG2 1 58 ASP H . . 3.810 3.722 3.637 3.770 . 0 0 "[ . 1 . 2]" 1 463 1 55 THR HB 1 57 VAL H . . 4.610 3.956 2.371 4.620 0.010 16 0 "[ . 1 . 2]" 1 464 1 57 VAL H 1 57 VAL HB . . 3.260 2.576 2.461 2.629 . 0 0 "[ . 1 . 2]" 1 465 1 57 VAL H 1 57 VAL MG2 . . 3.830 3.768 3.753 3.773 . 0 0 "[ . 1 . 2]" 1 466 1 56 TYR H 1 56 TYR HD1 . . 3.820 3.605 1.951 4.457 0.637 13 1 "[ . 1 + . 2]" 1 467 1 56 TYR H 1 57 VAL H . . 4.220 2.241 1.865 2.689 . 0 0 "[ . 1 . 2]" 1 468 1 55 THR MG 1 56 TYR H . . 4.080 2.855 1.912 3.672 . 0 0 "[ . 1 . 2]" 1 469 1 56 TYR H 1 57 VAL HB . . 4.960 4.472 4.274 4.983 0.023 13 0 "[ . 1 . 2]" 1 470 1 56 TYR H 1 57 VAL MG1 . . 4.980 3.584 2.864 4.265 . 0 0 "[ . 1 . 2]" 1 471 1 56 TYR H 1 56 TYR HB3 . . 4.160 3.028 2.418 3.564 . 0 0 "[ . 1 . 2]" 1 472 1 39 ARG H 1 40 TRP HD1 . . 4.960 3.963 3.482 4.627 . 0 0 "[ . 1 . 2]" 1 473 1 38 GLY H 1 39 ARG H . . 3.290 2.067 1.873 2.625 . 0 0 "[ . 1 . 2]" 1 474 1 36 GLY H 1 39 ARG H . . 5.500 5.392 5.101 5.541 0.041 16 0 "[ . 1 . 2]" 1 475 1 37 THR HA 1 39 ARG H . . 4.100 3.720 3.460 4.086 . 0 0 "[ . 1 . 2]" 1 476 1 39 ARG H 1 39 ARG HG3 . . 4.380 3.402 2.798 3.993 . 0 0 "[ . 1 . 2]" 1 477 1 39 ARG H 1 39 ARG HB3 . . 3.850 3.700 3.545 3.834 . 0 0 "[ . 1 . 2]" 1 478 1 39 ARG H 1 43 VAL MG2 . . 4.520 3.791 3.549 4.014 . 0 0 "[ . 1 . 2]" 1 479 1 73 ALA MB 1 75 GLN H . . 4.240 2.984 2.501 3.156 . 0 0 "[ . 1 . 2]" 1 480 1 75 GLN H 1 75 GLN HG3 . . 4.270 3.410 2.718 3.803 . 0 0 "[ . 1 . 2]" 1 481 1 73 ALA MB 1 76 GLN H . . 3.680 2.456 2.230 3.008 . 0 0 "[ . 1 . 2]" 1 482 1 74 PRO HA 1 76 GLN H . . 4.400 3.873 3.686 3.986 . 0 0 "[ . 1 . 2]" 1 483 1 75 GLN H 1 76 GLN H . . 3.920 2.517 2.453 2.627 . 0 0 "[ . 1 . 2]" 1 484 1 73 ALA H 1 76 GLN H . . 4.530 4.509 4.284 4.614 0.084 1 0 "[ . 1 . 2]" 1 485 1 76 GLN H 1 77 ARG H . . 2.970 2.452 2.369 2.532 . 0 0 "[ . 1 . 2]" 1 486 1 74 PRO HA 1 77 ARG H . . 4.140 3.838 3.401 4.161 0.021 16 0 "[ . 1 . 2]" 1 487 1 22 VAL H 1 23 ALA H . . 3.500 2.777 2.716 2.826 . 0 0 "[ . 1 . 2]" 1 488 1 23 ALA H 1 24 GLU H . . 3.370 2.595 2.512 2.701 . 0 0 "[ . 1 . 2]" 1 489 1 21 SER HB3 1 23 ALA H . . 3.800 3.073 2.735 3.496 . 0 0 "[ . 1 . 2]" 1 490 1 22 VAL HB 1 23 ALA H . . 3.820 3.061 2.585 3.831 0.011 8 0 "[ . 1 . 2]" 1 491 1 23 ALA H 1 23 ALA MB . . 2.670 2.182 2.039 2.243 . 0 0 "[ . 1 . 2]" 1 492 1 20 PHE H 1 21 SER H . . 4.710 4.559 4.474 4.624 . 0 0 "[ . 1 . 2]" 1 493 1 24 GLU H 1 25 VAL H . . 3.270 2.643 2.490 2.836 . 0 0 "[ . 1 . 2]" 1 494 1 24 GLU H 1 26 GLU H . . 4.270 3.927 3.799 4.092 . 0 0 "[ . 1 . 2]" 1 495 1 24 GLU H 1 24 GLU HG3 . . 3.170 2.951 2.004 3.170 . 0 0 "[ . 1 . 2]" 1 496 1 22 VAL HA 1 24 GLU H . . 4.690 4.449 4.262 4.714 0.024 5 0 "[ . 1 . 2]" 1 497 1 21 SER HA 1 24 GLU H . . 4.720 4.564 4.398 4.722 0.002 7 0 "[ . 1 . 2]" 1 498 1 23 ALA MB 1 24 GLU H . . 3.270 2.609 2.412 2.850 . 0 0 "[ . 1 . 2]" 1 499 1 99 GLN H 1 101 GLN H . . 4.830 4.600 4.115 4.841 0.011 5 0 "[ . 1 . 2]" 1 500 1 25 VAL H 1 25 VAL MG2 . . 4.120 2.372 1.887 3.761 . 0 0 "[ . 1 . 2]" 1 501 1 25 VAL H 1 25 VAL HB . . 3.060 2.596 2.507 2.686 . 0 0 "[ . 1 . 2]" 1 502 1 23 ALA H 1 25 VAL H . . 4.430 4.251 4.002 4.446 0.016 19 0 "[ . 1 . 2]" 1 503 1 25 VAL H 1 26 GLU H . . 3.160 2.711 2.519 2.757 . 0 0 "[ . 1 . 2]" 1 504 1 21 SER H 1 25 VAL H . . 4.390 3.922 3.381 4.382 . 0 0 "[ . 1 . 2]" 1 505 1 20 PHE HA 1 25 VAL H . . 5.500 5.070 4.678 5.509 0.009 15 0 "[ . 1 . 2]" 1 506 1 21 SER HA 1 25 VAL H . . 5.500 4.815 4.658 5.029 . 0 0 "[ . 1 . 2]" 1 507 1 25 VAL H 1 25 VAL MG1 . . 4.120 3.514 2.073 3.771 . 0 0 "[ . 1 . 2]" 1 508 1 25 VAL H 1 86 LEU MD1 . . 4.560 4.284 3.783 4.558 . 0 0 "[ . 1 . 2]" 1 509 1 23 ALA HA 1 26 GLU H . . 3.830 3.753 3.589 3.830 0.000 10 0 "[ . 1 . 2]" 1 510 1 26 GLU H 1 27 ALA MB . . 4.660 4.397 4.264 4.476 . 0 0 "[ . 1 . 2]" 1 511 1 26 GLU H 1 86 LEU MD1 . . 3.250 2.988 2.594 3.268 0.018 1 0 "[ . 1 . 2]" 1 512 1 25 VAL MG2 1 26 GLU H . . 4.020 3.824 3.492 3.916 . 0 0 "[ . 1 . 2]" 1 513 1 26 GLU H 1 26 GLU HB3 . . 3.650 2.895 2.131 3.563 . 0 0 "[ . 1 . 2]" 1 514 1 27 ALA H 1 27 ALA MB . . 2.660 2.136 2.035 2.235 . 0 0 "[ . 1 . 2]" 1 515 1 27 ALA H 1 86 LEU MD1 . . 5.500 4.838 4.349 5.181 . 0 0 "[ . 1 . 2]" 1 516 1 27 ALA H 1 28 LEU H . . 3.110 2.608 2.441 2.751 . 0 0 "[ . 1 . 2]" 1 517 1 26 GLU H 1 27 ALA H . . 3.190 2.771 2.652 2.893 . 0 0 "[ . 1 . 2]" 1 518 1 27 ALA MB 1 28 LEU H . . 3.110 2.632 2.463 2.789 . 0 0 "[ . 1 . 2]" 1 519 1 28 LEU H 1 28 LEU HB3 . . 3.100 2.798 2.582 2.919 . 0 0 "[ . 1 . 2]" 1 520 1 28 LEU H 1 28 LEU MD2 . . 4.260 3.735 3.461 4.008 . 0 0 "[ . 1 . 2]" 1 521 1 28 LEU H 1 28 LEU MD1 . . 4.260 4.210 4.117 4.246 . 0 0 "[ . 1 . 2]" 1 522 1 28 LEU H 1 29 VAL H . . 3.190 2.797 2.651 2.921 . 0 0 "[ . 1 . 2]" 1 523 1 28 LEU HB3 1 29 VAL H . . 3.500 2.324 2.224 2.543 . 0 0 "[ . 1 . 2]" 1 524 1 29 VAL H 1 29 VAL HB . . 3.020 2.634 2.554 2.701 . 0 0 "[ . 1 . 2]" 1 525 1 27 ALA MB 1 29 VAL H . . 4.940 4.750 4.578 4.917 . 0 0 "[ . 1 . 2]" 1 526 1 29 VAL H 1 29 VAL MG2 . . 3.840 2.868 1.967 3.769 . 0 0 "[ . 1 . 2]" 1 527 1 27 ALA HA 1 30 GLU H . . 4.180 3.750 3.486 3.961 . 0 0 "[ . 1 . 2]" 1 528 1 29 VAL MG1 1 30 GLU H . . 3.700 2.672 1.845 3.416 . 0 0 "[ . 1 . 2]" 1 529 1 30 GLU H 1 31 ALA MB . . 4.690 4.456 4.275 4.546 . 0 0 "[ . 1 . 2]" 1 530 1 29 VAL H 1 30 GLU H . . 3.210 2.735 2.582 2.860 . 0 0 "[ . 1 . 2]" 1 531 1 30 GLU H 1 30 GLU HG3 . . 3.960 2.854 2.063 3.664 . 0 0 "[ . 1 . 2]" 1 532 1 31 ALA H 1 32 VAL H . . 3.200 2.584 2.539 2.690 . 0 0 "[ . 1 . 2]" 1 533 1 32 VAL H 1 35 LEU H . . 5.030 4.704 4.669 4.775 . 0 0 "[ . 1 . 2]" 1 534 1 29 VAL HA 1 32 VAL H . . 3.630 3.370 3.270 3.472 . 0 0 "[ . 1 . 2]" 1 535 1 31 ALA MB 1 32 VAL H . . 3.270 2.575 2.374 2.788 . 0 0 "[ . 1 . 2]" 1 536 1 32 VAL H 1 32 VAL HB . . 2.980 2.450 2.282 2.694 . 0 0 "[ . 1 . 2]" 1 537 1 32 VAL H 1 32 VAL MG2 . . 3.830 2.990 2.333 3.777 . 0 0 "[ . 1 . 2]" 1 538 1 32 VAL H 1 32 VAL MG1 . . 3.830 3.050 1.911 3.748 . 0 0 "[ . 1 . 2]" 1 539 1 63 TRP H 1 65 THR MG . . 4.440 4.024 3.747 4.274 . 0 0 "[ . 1 . 2]" 1 540 1 32 VAL H 1 33 GLU H . . 3.280 2.487 2.442 2.539 . 0 0 "[ . 1 . 2]" 1 541 1 30 GLU H 1 33 GLU H . . 4.820 4.680 4.619 4.730 . 0 0 "[ . 1 . 2]" 1 542 1 30 GLU HA 1 33 GLU H . . 3.800 3.510 3.382 3.605 . 0 0 "[ . 1 . 2]" 1 543 1 33 GLU H 1 33 GLU HG3 . . 4.540 3.714 3.193 4.096 . 0 0 "[ . 1 . 2]" 1 544 1 33 GLU H 1 33 GLU HB3 . . 3.530 3.373 3.268 3.442 . 0 0 "[ . 1 . 2]" 1 545 1 32 VAL HB 1 33 GLU H . . 4.370 3.442 3.015 4.112 . 0 0 "[ . 1 . 2]" 1 546 1 32 VAL MG2 1 33 GLU H . . 4.120 4.015 3.791 4.163 0.043 16 0 "[ . 1 . 2]" 1 547 1 32 VAL MG1 1 33 GLU H . . 4.120 3.015 2.126 3.635 . 0 0 "[ . 1 . 2]" 1 548 1 34 HIS H 1 35 LEU H . . 3.200 2.429 2.400 2.444 . 0 0 "[ . 1 . 2]" 1 549 1 33 GLU H 1 34 HIS H . . 3.430 2.519 2.468 2.557 . 0 0 "[ . 1 . 2]" 1 550 1 31 ALA H 1 34 HIS H . . 5.090 4.852 4.707 5.011 . 0 0 "[ . 1 . 2]" 1 551 1 31 ALA HA 1 34 HIS H . . 3.860 3.612 3.437 3.782 . 0 0 "[ . 1 . 2]" 1 552 1 33 GLU HB3 1 34 HIS H . . 3.640 3.144 2.978 3.253 . 0 0 "[ . 1 . 2]" 1 553 1 34 HIS H 1 36 GLY HA2 . . 5.500 5.239 5.187 5.334 . 0 0 "[ . 1 . 2]" 1 554 1 35 LEU H 1 43 VAL HA . . 5.500 5.381 4.966 5.602 0.102 17 0 "[ . 1 . 2]" 1 555 1 35 LEU H 1 36 GLY HA2 . . 4.850 4.717 4.678 4.755 . 0 0 "[ . 1 . 2]" 1 556 1 35 LEU H 1 36 GLY HA3 . . 5.090 5.070 5.037 5.100 0.010 8 0 "[ . 1 . 2]" 1 557 1 33 GLU HB3 1 35 LEU H . . 5.500 5.442 5.304 5.527 0.027 20 0 "[ . 1 . 2]" 1 558 1 32 VAL MG2 1 35 LEU H . . 5.380 5.173 4.931 5.291 . 0 0 "[ . 1 . 2]" 1 559 1 32 VAL MG1 1 35 LEU H . . 5.380 5.139 5.032 5.258 . 0 0 "[ . 1 . 2]" 1 560 1 35 LEU H 1 35 LEU MD2 . . 3.900 2.988 2.112 3.673 . 0 0 "[ . 1 . 2]" 1 561 1 35 LEU H 1 35 LEU HB3 . . 3.750 3.591 3.545 3.616 . 0 0 "[ . 1 . 2]" 1 562 1 35 LEU H 1 35 LEU HG . . 4.080 2.942 2.111 4.064 . 0 0 "[ . 1 . 2]" 1 563 1 35 LEU H 1 36 GLY H . . 3.100 2.399 2.361 2.425 . 0 0 "[ . 1 . 2]" 1 564 1 34 HIS H 1 36 GLY H . . 4.090 3.461 3.437 3.516 . 0 0 "[ . 1 . 2]" 1 565 1 33 GLU H 1 36 GLY H . . 5.020 4.134 4.083 4.177 . 0 0 "[ . 1 . 2]" 1 566 1 34 HIS HA 1 36 GLY H . . 4.810 4.201 4.009 4.340 . 0 0 "[ . 1 . 2]" 1 567 1 32 VAL HA 1 36 GLY H . . 3.190 3.068 2.937 3.252 0.062 8 0 "[ . 1 . 2]" 1 568 1 32 VAL MG2 1 36 GLY H . . 4.770 4.307 3.530 4.775 0.005 12 0 "[ . 1 . 2]" 1 569 1 32 VAL MG1 1 36 GLY H . . 4.770 4.071 3.570 4.824 0.054 11 0 "[ . 1 . 2]" 1 570 1 36 GLY H 1 37 THR H . . 4.710 4.521 4.391 4.598 . 0 0 "[ . 1 . 2]" 1 571 1 36 GLY HA2 1 37 THR H . . 3.380 2.610 2.388 2.989 . 0 0 "[ . 1 . 2]" 1 572 1 36 GLY HA3 1 37 THR H . . 3.530 2.527 2.222 2.751 . 0 0 "[ . 1 . 2]" 1 573 1 37 THR H 1 39 ARG H . . 4.600 4.503 4.253 4.642 0.042 15 0 "[ . 1 . 2]" 1 574 1 32 VAL MG1 1 37 THR H . . 5.500 4.516 3.537 5.619 0.119 6 0 "[ . 1 . 2]" 1 575 1 32 VAL MG2 1 37 THR H . . 5.500 4.649 3.162 5.585 0.085 16 0 "[ . 1 . 2]" 1 576 1 37 THR H 1 93 ALA MB . . 5.320 4.565 4.043 5.338 0.018 16 0 "[ . 1 . 2]" 1 577 1 37 THR H 1 38 GLY H . . 3.430 2.707 2.477 2.903 . 0 0 "[ . 1 . 2]" 1 578 1 37 THR HB 1 38 GLY H . . 4.540 4.280 3.951 4.460 . 0 0 "[ . 1 . 2]" 1 579 1 36 GLY HA2 1 38 GLY H . . 4.730 4.190 3.899 4.612 . 0 0 "[ . 1 . 2]" 1 580 1 36 GLY HA3 1 38 GLY H . . 4.250 3.141 2.935 3.406 . 0 0 "[ . 1 . 2]" 1 581 1 37 THR MG 1 38 GLY H . . 4.630 4.386 4.260 4.468 . 0 0 "[ . 1 . 2]" 1 582 1 38 GLY H 1 40 TRP HE1 . . 5.400 5.172 4.743 5.396 . 0 0 "[ . 1 . 2]" 1 583 1 55 THR H 1 55 THR HB . . 3.990 2.804 2.576 2.998 . 0 0 "[ . 1 . 2]" 1 584 1 55 THR H 1 55 THR MG . . 3.820 2.809 1.919 3.829 0.009 9 0 "[ . 1 . 2]" 1 585 1 98 SER H 1 99 GLN H . . 3.260 2.694 2.512 2.832 . 0 0 "[ . 1 . 2]" 1 586 1 95 ALA H 1 98 SER H . . 4.800 4.496 4.452 4.589 . 0 0 "[ . 1 . 2]" 1 587 1 97 TRP H 1 98 SER H . . 3.300 2.559 2.517 2.732 . 0 0 "[ . 1 . 2]" 1 588 1 94 HIS HA 1 98 SER H . . 4.230 4.004 3.634 4.196 . 0 0 "[ . 1 . 2]" 1 589 1 95 ALA HA 1 98 SER H . . 4.100 3.456 3.349 3.822 . 0 0 "[ . 1 . 2]" 1 590 1 97 TRP HB3 1 98 SER H . . 3.770 3.696 3.487 3.779 0.009 12 0 "[ . 1 . 2]" 1 591 1 95 ALA MB 1 98 SER H . . 5.000 4.536 4.447 4.773 . 0 0 "[ . 1 . 2]" 1 592 1 37 THR MG 1 98 SER H . . 5.500 5.272 4.717 5.514 0.014 16 0 "[ . 1 . 2]" 1 593 1 98 SER H 1 98 SER HB3 . . 3.730 2.567 2.247 3.577 . 0 0 "[ . 1 . 2]" 1 594 1 97 TRP H 1 97 TRP HD1 . . 3.690 3.266 2.828 3.501 . 0 0 "[ . 1 . 2]" 1 595 1 96 TYR HD2 1 97 TRP H . . 3.740 3.180 2.988 3.641 . 0 0 "[ . 1 . 2]" 1 596 1 93 ALA HA 1 97 TRP H . . 4.090 3.585 3.377 3.855 . 0 0 "[ . 1 . 2]" 1 597 1 96 TYR HB3 1 97 TRP H . . 3.080 2.478 2.444 2.696 . 0 0 "[ . 1 . 2]" 1 598 1 93 ALA MB 1 97 TRP H . . 4.330 4.257 4.165 4.354 0.024 16 0 "[ . 1 . 2]" 1 599 1 95 ALA MB 1 97 TRP H . . 5.040 4.604 4.434 4.639 . 0 0 "[ . 1 . 2]" 1 600 1 61 ASP H 1 61 ASP HB3 . . 3.800 2.912 2.338 3.598 . 0 0 "[ . 1 . 2]" 1 601 1 95 ALA MB 1 96 TYR H . . 3.020 2.447 2.414 2.497 . 0 0 "[ . 1 . 2]" 1 602 1 59 LEU HG 1 61 ASP H . . 5.420 4.760 4.349 5.437 0.017 15 0 "[ . 1 . 2]" 1 603 1 93 ALA MB 1 96 TYR H . . 5.500 4.629 4.532 4.681 . 0 0 "[ . 1 . 2]" 1 604 1 96 TYR H 1 97 TRP H . . 3.310 2.804 2.627 2.868 . 0 0 "[ . 1 . 2]" 1 605 1 92 ALA HA 1 95 ALA H . . 4.210 3.977 3.828 4.086 . 0 0 "[ . 1 . 2]" 1 606 1 95 ALA H 1 95 ALA MB . . 2.670 2.223 2.171 2.264 . 0 0 "[ . 1 . 2]" 1 607 1 94 HIS H 1 95 ALA H . . 3.070 2.788 2.686 2.851 . 0 0 "[ . 1 . 2]" 1 608 1 92 ALA H 1 94 HIS H . . 4.220 4.145 4.002 4.229 0.009 12 0 "[ . 1 . 2]" 1 609 1 94 HIS H 1 97 TRP H . . 4.940 4.806 4.757 4.877 . 0 0 "[ . 1 . 2]" 1 610 1 92 ALA HA 1 94 HIS H . . 5.260 4.850 4.683 5.046 . 0 0 "[ . 1 . 2]" 1 611 1 91 LEU HA 1 94 HIS H . . 3.960 3.608 3.424 3.858 . 0 0 "[ . 1 . 2]" 1 612 1 90 VAL HA 1 94 HIS H . . 3.930 3.886 3.580 4.103 0.173 16 0 "[ . 1 . 2]" 1 613 1 93 ALA MB 1 94 HIS H . . 3.210 2.511 2.412 2.672 . 0 0 "[ . 1 . 2]" 1 614 1 94 HIS H 1 95 ALA MB . . 4.690 4.477 4.356 4.533 . 0 0 "[ . 1 . 2]" 1 615 1 37 THR MG 1 94 HIS H . . 5.120 4.267 3.853 4.726 . 0 0 "[ . 1 . 2]" 1 616 1 92 ALA H 1 93 ALA H . . 3.110 2.755 2.613 2.878 . 0 0 "[ . 1 . 2]" 1 617 1 90 VAL HA 1 93 ALA H . . 3.860 3.743 3.575 3.889 0.029 17 0 "[ . 1 . 2]" 1 618 1 92 ALA MB 1 93 ALA H . . 3.020 2.388 2.289 2.519 . 0 0 "[ . 1 . 2]" 1 619 1 93 ALA H 1 93 ALA MB . . 2.800 2.143 2.047 2.254 . 0 0 "[ . 1 . 2]" 1 620 1 90 VAL MG2 1 93 ALA H . . 5.330 5.166 4.850 5.466 0.136 16 0 "[ . 1 . 2]" 1 621 1 90 VAL MG1 1 93 ALA H . . 5.330 4.960 4.693 5.260 . 0 0 "[ . 1 . 2]" 1 622 1 93 ALA H 1 94 HIS H . . 2.980 2.586 2.513 2.711 . 0 0 "[ . 1 . 2]" 1 623 1 90 VAL HA 1 92 ALA H . . 4.510 4.299 4.017 4.536 0.026 7 0 "[ . 1 . 2]" 1 624 1 92 ALA H 1 92 ALA MB . . 2.640 2.187 2.036 2.243 . 0 0 "[ . 1 . 2]" 1 625 1 89 ARG H 1 91 LEU H . . 4.410 4.161 3.850 4.477 0.067 19 0 "[ . 1 . 2]" 1 626 1 88 ASP HA 1 91 LEU H . . 4.200 3.715 3.567 3.823 . 0 0 "[ . 1 . 2]" 1 627 1 90 VAL HB 1 91 LEU H . . 3.670 3.096 2.295 3.853 0.183 15 0 "[ . 1 . 2]" 1 628 1 67 VAL HA 1 91 LEU H . . 5.180 4.830 4.219 5.120 . 0 0 "[ . 1 . 2]" 1 629 1 70 ALA MB 1 91 LEU H . . 4.230 3.854 3.413 4.250 0.020 18 0 "[ . 1 . 2]" 1 630 1 88 ASP H 1 91 LEU H . . 5.110 4.857 4.681 5.004 . 0 0 "[ . 1 . 2]" 1 631 1 91 LEU H 1 91 LEU HG . . 4.350 3.489 2.689 4.449 0.099 5 0 "[ . 1 . 2]" 1 632 1 91 LEU H 1 91 LEU MD2 . . 3.800 3.738 2.519 3.880 0.080 5 0 "[ . 1 . 2]" 1 633 1 90 VAL H 1 91 LEU H . . 3.210 2.735 2.632 2.848 . 0 0 "[ . 1 . 2]" 1 634 1 88 ASP H 1 90 VAL H . . 4.310 4.134 3.898 4.355 0.045 18 0 "[ . 1 . 2]" 1 635 1 88 ASP HA 1 90 VAL H . . 4.960 4.560 4.142 4.830 . 0 0 "[ . 1 . 2]" 1 636 1 90 VAL H 1 90 VAL HB . . 3.590 2.356 2.151 2.621 . 0 0 "[ . 1 . 2]" 1 637 1 90 VAL H 1 90 VAL MG1 . . 3.770 3.168 2.331 3.764 . 0 0 "[ . 1 . 2]" 1 638 1 89 ARG H 1 90 VAL H . . 3.150 2.613 2.549 2.725 . 0 0 "[ . 1 . 2]" 1 639 1 88 ASP H 1 89 ARG H . . 3.280 2.615 2.484 2.820 . 0 0 "[ . 1 . 2]" 1 640 1 89 ARG H 1 89 ARG HG3 . . 3.740 3.412 2.547 3.751 0.011 4 0 "[ . 1 . 2]" 1 641 1 87 LEU HB3 1 88 ASP H . . 3.960 3.595 3.348 3.786 . 0 0 "[ . 1 . 2]" 1 642 1 88 ASP H 1 88 ASP HB3 . . 3.300 2.660 2.289 3.457 0.157 12 0 "[ . 1 . 2]" 1 643 1 88 ASP HB3 1 89 ARG H . . 4.170 2.695 2.408 3.186 . 0 0 "[ . 1 . 2]" 1 644 1 87 LEU H 1 88 ASP H . . 3.180 2.721 2.552 2.910 . 0 0 "[ . 1 . 2]" 1 645 1 86 LEU H 1 87 LEU H . . 3.060 2.573 2.475 2.671 . 0 0 "[ . 1 . 2]" 1 646 1 87 LEU H 1 89 ARG H . . 4.470 4.175 3.785 4.466 . 0 0 "[ . 1 . 2]" 1 647 1 87 LEU H 1 87 LEU HB3 . . 3.770 3.582 3.577 3.586 . 0 0 "[ . 1 . 2]" 1 648 1 87 LEU H 1 90 VAL HB . . 5.500 5.167 4.576 5.467 . 0 0 "[ . 1 . 2]" 1 649 1 85 ASP HA 1 87 LEU H . . 5.070 4.799 4.433 5.044 . 0 0 "[ . 1 . 2]" 1 650 1 84 GLN HA 1 87 LEU H . . 3.780 3.409 3.206 3.542 . 0 0 "[ . 1 . 2]" 1 651 1 87 LEU H 1 87 LEU HG . . 3.060 2.343 2.229 2.493 . 0 0 "[ . 1 . 2]" 1 652 1 87 LEU H 1 87 LEU MD2 . . 4.160 3.149 2.950 3.539 . 0 0 "[ . 1 . 2]" 1 653 1 87 LEU H 1 87 LEU MD1 . . 4.160 3.753 3.604 3.812 . 0 0 "[ . 1 . 2]" 1 654 1 85 ASP H 1 86 LEU H . . 3.100 2.629 2.533 2.757 . 0 0 "[ . 1 . 2]" 1 655 1 86 LEU H 1 86 LEU MD2 . . 3.500 3.036 2.597 3.355 . 0 0 "[ . 1 . 2]" 1 656 1 86 LEU H 1 86 LEU MD1 . . 4.000 3.775 3.664 3.875 . 0 0 "[ . 1 . 2]" 1 657 1 86 LEU H 1 86 LEU HG . . 3.330 2.315 2.111 2.500 . 0 0 "[ . 1 . 2]" 1 658 1 86 LEU H 1 86 LEU HB3 . . 3.730 3.598 3.587 3.605 . 0 0 "[ . 1 . 2]" 1 659 1 85 ASP H 1 87 LEU H . . 4.490 4.182 3.836 4.351 . 0 0 "[ . 1 . 2]" 1 660 1 85 ASP H 1 86 LEU HG . . 4.500 4.327 4.049 4.515 0.015 7 0 "[ . 1 . 2]" 1 661 1 85 ASP H 1 85 ASP HB3 . . 3.140 2.702 2.549 2.865 . 0 0 "[ . 1 . 2]" 1 662 1 84 GLN HB3 1 85 ASP H . . 3.170 3.103 2.977 3.185 0.015 1 0 "[ . 1 . 2]" 1 663 1 84 GLN H 1 84 GLN HB3 . . 3.900 2.638 2.461 2.804 . 0 0 "[ . 1 . 2]" 1 664 1 84 GLN H 1 85 ASP H . . 2.620 2.563 2.443 2.640 0.020 2 0 "[ . 1 . 2]" 1 665 1 95 ALA HA 1 99 GLN H . . 4.370 4.311 3.929 4.376 0.006 15 0 "[ . 1 . 2]" 1 666 1 96 TYR HA 1 99 GLN H . . 4.630 3.787 3.375 3.911 . 0 0 "[ . 1 . 2]" 1 667 1 99 GLN H 1 99 GLN HB3 . . 3.560 2.846 2.428 3.569 0.009 3 0 "[ . 1 . 2]" 1 668 1 99 GLN H 1 100 GLN H . . 3.890 2.669 2.425 2.693 . 0 0 "[ . 1 . 2]" 1 669 1 98 SER H 1 100 GLN H . . 4.710 4.154 3.871 4.223 . 0 0 "[ . 1 . 2]" 1 670 1 99 GLN HB3 1 100 GLN H . . 4.430 3.190 2.463 4.087 . 0 0 "[ . 1 . 2]" 1 671 1 106 VAL HA 1 107 GLU H . . 3.150 2.334 2.141 2.662 . 0 0 "[ . 1 . 2]" 1 672 1 106 VAL H 1 107 GLU H . . 4.640 4.380 4.112 4.635 . 0 0 "[ . 1 . 2]" 1 673 1 106 VAL QG 1 107 GLU H . . 4.550 2.511 1.942 3.470 . 0 0 "[ . 1 . 2]" 1 674 1 54 ARG H 1 55 THR H . . 4.850 4.490 4.095 4.625 . 0 0 "[ . 1 . 2]" 1 675 1 82 VAL H 1 82 VAL MG1 . . 3.640 2.721 1.900 3.865 0.225 9 0 "[ . 1 . 2]" 1 676 1 82 VAL H 1 82 VAL MG2 . . 3.640 2.784 2.039 3.855 0.215 15 0 "[ . 1 . 2]" 1 677 1 80 GLU H 1 80 GLU HB3 . . 3.970 3.171 2.321 4.080 0.110 20 0 "[ . 1 . 2]" 1 678 1 40 TRP H 1 40 TRP HE1 . . 4.840 4.549 4.369 4.743 . 0 0 "[ . 1 . 2]" 1 679 1 38 GLY HA2 1 40 TRP HE1 . . 5.500 3.819 3.487 4.010 . 0 0 "[ . 1 . 2]" 1 680 1 38 GLY HA3 1 40 TRP HE1 . . 5.500 5.469 5.226 5.510 0.010 19 0 "[ . 1 . 2]" 1 681 1 37 THR MG 1 40 TRP HE1 . . 5.060 4.690 4.007 5.068 0.008 20 0 "[ . 1 . 2]" 1 682 1 37 THR MG 1 63 TRP HE1 . . 3.130 2.930 2.522 3.199 0.069 19 0 "[ . 1 . 2]" 1 683 1 63 TRP HE1 1 67 VAL HB . . 4.950 4.187 3.115 4.963 0.013 17 0 "[ . 1 . 2]" 1 684 1 63 TRP HE1 1 64 LYS HA . . 4.480 4.421 4.010 4.545 0.065 9 0 "[ . 1 . 2]" 1 685 1 36 GLY H 1 97 TRP HE1 . . 3.810 3.860 3.796 3.941 0.131 10 0 "[ . 1 . 2]" 1 686 1 37 THR H 1 97 TRP HE1 . . 4.840 3.625 3.051 4.499 . 0 0 "[ . 1 . 2]" 1 687 1 96 TYR HD2 1 97 TRP HE1 . . 4.800 4.034 3.490 4.782 . 0 0 "[ . 1 . 2]" 1 688 1 33 GLU HA 1 97 TRP HE1 . . 3.560 3.560 3.509 3.580 0.020 5 0 "[ . 1 . 2]" 1 689 1 36 GLY HA2 1 97 TRP HE1 . . 3.860 2.047 1.927 2.432 . 0 0 "[ . 1 . 2]" 1 690 1 93 ALA MB 1 97 TRP HE1 . . 3.550 2.557 2.288 3.288 . 0 0 "[ . 1 . 2]" 1 691 1 36 GLY HA3 1 97 TRP HE1 . . 3.730 3.235 3.031 3.495 . 0 0 "[ . 1 . 2]" 1 692 1 87 LEU HA 1 89 ARG H . . 4.620 4.469 4.167 4.699 0.079 10 0 "[ . 1 . 2]" 1 693 1 89 ARG H 1 89 ARG HB3 . . 3.760 3.537 3.462 3.595 . 0 0 "[ . 1 . 2]" 1 694 1 82 VAL H 1 83 PRO HD3 . . 5.040 4.795 4.608 4.913 . 0 0 "[ . 1 . 2]" 1 695 1 66 LEU H 1 66 LEU MD1 . . 4.620 3.981 3.751 4.280 . 0 0 "[ . 1 . 2]" 1 696 1 20 PHE HA 1 25 VAL QG . . 4.890 4.229 3.812 4.970 0.080 1 0 "[ . 1 . 2]" 1 697 1 20 PHE QD 1 25 VAL QG . . 4.450 2.788 1.901 4.294 . 0 0 "[ . 1 . 2]" 1 698 1 21 SER H 1 25 VAL QG . . 4.670 3.835 3.225 4.454 . 0 0 "[ . 1 . 2]" 1 699 1 21 SER HA 1 22 VAL QG . . 4.120 3.675 3.479 3.828 . 0 0 "[ . 1 . 2]" 1 700 1 21 SER HA 1 25 VAL QG . . 5.050 3.846 3.670 4.095 . 0 0 "[ . 1 . 2]" 1 701 1 22 VAL H 1 22 VAL QG . . 3.120 1.975 1.837 2.176 . 0 0 "[ . 1 . 2]" 1 702 1 22 VAL HA 1 22 VAL QG . . 2.890 2.136 2.050 2.274 . 0 0 "[ . 1 . 2]" 1 703 1 22 VAL HA 1 25 VAL QG . . 3.420 2.883 1.977 3.435 0.015 2 0 "[ . 1 . 2]" 1 704 1 22 VAL QG 1 23 ALA H . . 3.620 2.864 1.971 3.364 . 0 0 "[ . 1 . 2]" 1 705 1 22 VAL QG 1 23 ALA HA . . 4.150 3.466 3.165 3.605 . 0 0 "[ . 1 . 2]" 1 706 1 22 VAL QG 1 23 ALA MB . . 4.300 3.577 2.828 4.040 . 0 0 "[ . 1 . 2]" 1 707 1 22 VAL QG 1 82 VAL HA . . 3.870 3.656 3.148 3.887 0.017 3 0 "[ . 1 . 2]" 1 708 1 22 VAL QG 1 83 PRO HD3 . . 3.570 2.275 1.905 2.708 . 0 0 "[ . 1 . 2]" 1 709 1 24 GLU H 1 25 VAL QG . . 4.220 3.944 3.502 4.136 . 0 0 "[ . 1 . 2]" 1 710 1 25 VAL H 1 25 VAL QG . . 2.850 2.111 1.882 2.288 . 0 0 "[ . 1 . 2]" 1 711 1 25 VAL HA 1 25 VAL QG . . 2.950 2.135 2.046 2.328 . 0 0 "[ . 1 . 2]" 1 712 1 25 VAL HA 1 28 LEU QD . . 4.760 4.244 3.919 4.562 . 0 0 "[ . 1 . 2]" 1 713 1 25 VAL HA 1 66 LEU QD . . 4.540 3.802 2.750 4.328 . 0 0 "[ . 1 . 2]" 1 714 1 25 VAL HB 1 66 LEU QD . . 4.730 4.027 3.769 4.303 . 0 0 "[ . 1 . 2]" 1 715 1 25 VAL QG 1 26 GLU H . . 3.530 3.100 1.881 3.344 . 0 0 "[ . 1 . 2]" 1 716 1 25 VAL QG 1 26 GLU HA . . 3.910 3.484 3.122 3.680 . 0 0 "[ . 1 . 2]" 1 717 1 25 VAL QG 1 27 ALA H . . 5.260 4.439 3.900 4.840 . 0 0 "[ . 1 . 2]" 1 718 1 25 VAL QG 1 28 LEU H . . 4.510 3.966 3.653 4.385 . 0 0 "[ . 1 . 2]" 1 719 1 25 VAL QG 1 28 LEU HB3 . . 3.970 3.068 2.590 3.529 . 0 0 "[ . 1 . 2]" 1 720 1 25 VAL QG 1 29 VAL H . . 3.630 3.484 3.197 3.634 0.004 13 0 "[ . 1 . 2]" 1 721 1 25 VAL QG 1 29 VAL HB . . 4.290 3.930 3.270 4.308 0.018 15 0 "[ . 1 . 2]" 1 722 1 25 VAL QG 1 66 LEU QD . . 2.710 1.876 1.710 2.019 . 0 0 "[ . 1 . 2]" 1 723 1 25 VAL QG 1 86 LEU HA . . 5.170 4.995 4.479 5.199 0.029 11 0 "[ . 1 . 2]" 1 724 1 25 VAL QG 1 86 LEU HB3 . . 3.810 3.105 2.485 3.285 . 0 0 "[ . 1 . 2]" 1 725 1 25 VAL QG 1 86 LEU HG . . 4.540 4.279 3.886 4.554 0.014 20 0 "[ . 1 . 2]" 1 726 1 25 VAL QG 1 86 LEU MD1 . . 3.050 1.965 1.720 2.339 . 0 0 "[ . 1 . 2]" 1 727 1 26 GLU HA 1 29 VAL QG . . 4.270 2.692 1.961 3.547 . 0 0 "[ . 1 . 2]" 1 728 1 27 ALA H 1 29 VAL QG . . 5.300 4.571 3.891 5.251 . 0 0 "[ . 1 . 2]" 1 729 1 28 LEU H 1 28 LEU QD . . 3.610 3.492 3.307 3.617 0.007 14 0 "[ . 1 . 2]" 1 730 1 28 LEU H 1 66 LEU QD . . 5.150 4.692 4.299 5.161 0.011 10 0 "[ . 1 . 2]" 1 731 1 28 LEU HA 1 28 LEU QD . . 3.110 1.996 1.911 2.107 . 0 0 "[ . 1 . 2]" 1 732 1 28 LEU HA 1 32 VAL QG . . 4.430 4.042 3.572 4.537 0.107 10 0 "[ . 1 . 2]" 1 733 1 28 LEU HB3 1 29 VAL QG . . 4.020 3.255 2.789 3.756 . 0 0 "[ . 1 . 2]" 1 734 1 28 LEU HB3 1 32 VAL QG . . 4.510 4.477 4.262 4.637 0.127 10 0 "[ . 1 . 2]" 1 735 1 28 LEU QD 1 29 VAL H . . 4.470 3.237 2.891 3.585 . 0 0 "[ . 1 . 2]" 1 736 1 28 LEU QD 1 29 VAL HA . . 3.920 3.043 2.731 3.370 . 0 0 "[ . 1 . 2]" 1 737 1 28 LEU QD 1 32 VAL QG . . 2.940 2.317 1.931 2.884 . 0 0 "[ . 1 . 2]" 1 738 1 28 LEU QD 1 43 VAL MG1 . . 2.820 2.164 1.885 2.422 . 0 0 "[ . 1 . 2]" 1 739 1 28 LEU QD 1 43 VAL MG2 . . 3.810 3.671 3.443 3.839 0.029 15 0 "[ . 1 . 2]" 1 740 1 28 LEU QD 1 47 ALA MB . . 3.700 2.916 2.535 3.476 . 0 0 "[ . 1 . 2]" 1 741 1 28 LEU QD 1 59 LEU QD . . 3.010 2.567 2.226 3.014 0.004 9 0 "[ . 1 . 2]" 1 742 1 28 LEU QD 1 60 LYS H . . 5.200 4.448 4.041 4.641 . 0 0 "[ . 1 . 2]" 1 743 1 28 LEU QD 1 61 ASP H . . 5.440 5.080 4.752 5.436 . 0 0 "[ . 1 . 2]" 1 744 1 28 LEU QD 1 62 LYS H . . 4.080 3.993 3.643 4.116 0.036 10 0 "[ . 1 . 2]" 1 745 1 28 LEU QD 1 62 LYS HA . . 5.200 4.596 4.361 4.855 . 0 0 "[ . 1 . 2]" 1 746 1 28 LEU QD 1 63 TRP H . . 3.380 2.939 2.529 3.389 0.009 19 0 "[ . 1 . 2]" 1 747 1 28 LEU QD 1 63 TRP HA . . 4.030 2.796 2.386 3.163 . 0 0 "[ . 1 . 2]" 1 748 1 28 LEU QD 1 64 LYS H . . 5.310 4.712 4.438 5.069 . 0 0 "[ . 1 . 2]" 1 749 1 28 LEU QD 1 66 LEU QD . . 3.480 2.756 2.380 3.332 . 0 0 "[ . 1 . 2]" 1 750 1 29 VAL H 1 29 VAL QG . . 2.850 2.009 1.828 2.229 . 0 0 "[ . 1 . 2]" 1 751 1 29 VAL H 1 32 VAL QG . . 4.820 4.324 3.933 4.642 . 0 0 "[ . 1 . 2]" 1 752 1 29 VAL H 1 66 LEU QD . . 4.510 3.316 2.851 3.868 . 0 0 "[ . 1 . 2]" 1 753 1 29 VAL H 1 90 VAL QG . . 5.050 4.727 4.285 5.095 0.045 7 0 "[ . 1 . 2]" 1 754 1 29 VAL HA 1 29 VAL QG . . 3.070 2.182 2.040 2.343 . 0 0 "[ . 1 . 2]" 1 755 1 29 VAL HA 1 32 VAL QG . . 3.810 2.613 1.837 3.273 . 0 0 "[ . 1 . 2]" 1 756 1 29 VAL QG 1 30 GLU H . . 3.190 2.530 1.835 3.092 . 0 0 "[ . 1 . 2]" 1 757 1 29 VAL QG 1 32 VAL H . . 5.440 4.210 4.029 4.343 . 0 0 "[ . 1 . 2]" 1 758 1 29 VAL QG 1 32 VAL QG . . 4.470 3.189 2.722 3.587 . 0 0 "[ . 1 . 2]" 1 759 1 29 VAL QG 1 33 GLU H . . 4.060 3.835 3.629 4.048 . 0 0 "[ . 1 . 2]" 1 760 1 29 VAL QG 1 66 LEU QD . . 3.550 2.202 1.657 3.054 . 0 0 "[ . 1 . 2]" 1 761 1 29 VAL QG 1 86 LEU HB3 . . 4.070 2.269 1.910 2.738 . 0 0 "[ . 1 . 2]" 1 762 1 29 VAL QG 1 86 LEU MD1 . . 2.870 2.709 2.268 2.900 0.030 15 0 "[ . 1 . 2]" 1 763 1 29 VAL QG 1 86 LEU MD2 . . 3.230 2.193 1.793 2.852 . 0 0 "[ . 1 . 2]" 1 764 1 29 VAL QG 1 89 ARG H . . 4.230 3.902 3.478 4.249 0.019 10 0 "[ . 1 . 2]" 1 765 1 29 VAL QG 1 89 ARG HA . . 4.900 4.280 3.740 4.619 . 0 0 "[ . 1 . 2]" 1 766 1 29 VAL QG 1 89 ARG HB3 . . 3.270 2.522 1.910 3.044 . 0 0 "[ . 1 . 2]" 1 767 1 29 VAL QG 1 90 VAL H . . 3.090 2.710 2.213 3.099 0.009 10 0 "[ . 1 . 2]" 1 768 1 29 VAL QG 1 90 VAL HA . . 3.590 2.560 2.060 2.908 . 0 0 "[ . 1 . 2]" 1 769 1 29 VAL QG 1 90 VAL QG . . 3.830 2.067 1.618 2.540 . 0 0 "[ . 1 . 2]" 1 770 1 29 VAL QG 1 93 ALA MB . . 4.310 4.078 3.755 4.324 0.014 18 0 "[ . 1 . 2]" 1 771 1 31 ALA H 1 32 VAL QG . . 4.490 4.028 3.571 4.315 . 0 0 "[ . 1 . 2]" 1 772 1 31 ALA MB 1 32 VAL QG . . 3.970 3.363 3.041 3.810 . 0 0 "[ . 1 . 2]" 1 773 1 31 ALA MB 1 35 LEU QD . . 5.080 2.257 1.898 3.091 . 0 0 "[ . 1 . 2]" 1 774 1 31 ALA MB 1 59 LEU QD . . 4.290 4.210 3.917 4.362 0.072 7 0 "[ . 1 . 2]" 1 775 1 32 VAL H 1 32 VAL QG . . 2.910 2.279 1.906 2.546 . 0 0 "[ . 1 . 2]" 1 776 1 32 VAL HA 1 35 LEU QD . . 4.460 3.954 3.512 4.208 . 0 0 "[ . 1 . 2]" 1 777 1 32 VAL QG 1 33 GLU H . . 3.620 2.900 2.118 3.387 . 0 0 "[ . 1 . 2]" 1 778 1 32 VAL QG 1 33 GLU HA . . 4.570 3.239 3.019 3.474 . 0 0 "[ . 1 . 2]" 1 779 1 32 VAL QG 1 34 HIS H . . 5.440 4.457 4.153 4.710 . 0 0 "[ . 1 . 2]" 1 780 1 32 VAL QG 1 35 LEU H . . 4.710 4.587 4.495 4.627 . 0 0 "[ . 1 . 2]" 1 781 1 32 VAL QG 1 36 GLY H . . 3.680 3.534 3.427 3.628 . 0 0 "[ . 1 . 2]" 1 782 1 32 VAL QG 1 36 GLY HA2 . . 4.000 3.232 3.116 3.419 . 0 0 "[ . 1 . 2]" 1 783 1 32 VAL QG 1 36 GLY HA3 . . 4.130 4.223 4.150 4.291 0.161 16 0 "[ . 1 . 2]" 1 784 1 32 VAL QG 1 37 THR H . . 4.280 3.581 3.144 4.192 . 0 0 "[ . 1 . 2]" 1 785 1 32 VAL QG 1 37 THR HA . . 4.590 2.587 1.990 3.170 . 0 0 "[ . 1 . 2]" 1 786 1 32 VAL QG 1 37 THR HB . . 4.470 4.046 3.643 4.468 . 0 0 "[ . 1 . 2]" 1 787 1 32 VAL QG 1 37 THR MG . . 3.030 2.063 1.798 2.353 . 0 0 "[ . 1 . 2]" 1 788 1 32 VAL QG 1 43 VAL MG1 . . 3.650 2.642 1.900 3.545 . 0 0 "[ . 1 . 2]" 1 789 1 32 VAL QG 1 43 VAL MG2 . . 3.530 2.570 1.997 3.032 . 0 0 "[ . 1 . 2]" 1 790 1 32 VAL QG 1 59 LEU QD . . 4.040 3.479 2.718 4.042 0.002 4 0 "[ . 1 . 2]" 1 791 1 32 VAL QG 1 63 TRP HE1 . . 4.840 3.909 3.256 4.718 . 0 0 "[ . 1 . 2]" 1 792 1 32 VAL QG 1 66 LEU QD . . 4.290 3.950 3.533 4.324 0.034 7 0 "[ . 1 . 2]" 1 793 1 32 VAL QG 1 90 VAL HA . . 5.000 3.784 3.277 4.428 . 0 0 "[ . 1 . 2]" 1 794 1 32 VAL QG 1 90 VAL QG . . 3.550 3.113 2.205 3.662 0.112 13 0 "[ . 1 . 2]" 1 795 1 32 VAL QG 1 93 ALA H . . 5.440 5.096 4.795 5.423 . 0 0 "[ . 1 . 2]" 1 796 1 32 VAL QG 1 93 ALA MB . . 3.390 2.873 2.317 3.249 . 0 0 "[ . 1 . 2]" 1 797 1 32 VAL QG 1 97 TRP HE1 . . 4.590 4.152 3.631 4.634 0.044 20 0 "[ . 1 . 2]" 1 798 1 34 HIS H 1 35 LEU QD . . 4.760 4.109 3.543 4.538 . 0 0 "[ . 1 . 2]" 1 799 1 35 LEU H 1 35 LEU QD . . 3.330 2.694 2.095 3.117 . 0 0 "[ . 1 . 2]" 1 800 1 35 LEU HA 1 35 LEU QD . . 2.930 2.241 1.910 2.536 . 0 0 "[ . 1 . 2]" 1 801 1 35 LEU QD 1 42 ASP H . . 5.440 4.041 3.672 4.416 . 0 0 "[ . 1 . 2]" 1 802 1 35 LEU QD 1 42 ASP HA . . 3.950 3.513 3.218 3.913 . 0 0 "[ . 1 . 2]" 1 803 1 35 LEU QD 1 42 ASP HB3 . . 3.740 1.931 1.752 2.157 . 0 0 "[ . 1 . 2]" 1 804 1 35 LEU QD 1 43 VAL H . . 4.260 3.151 2.494 3.975 . 0 0 "[ . 1 . 2]" 1 805 1 35 LEU QD 1 43 VAL HA . . 3.480 2.320 1.892 2.971 . 0 0 "[ . 1 . 2]" 1 806 1 35 LEU QD 1 43 VAL HB . . 5.440 4.189 3.679 5.020 . 0 0 "[ . 1 . 2]" 1 807 1 35 LEU QD 1 46 ARG H . . 4.520 3.692 3.274 4.374 . 0 0 "[ . 1 . 2]" 1 808 1 35 LEU QD 1 46 ARG HB3 . . 3.990 2.381 2.024 3.000 . 0 0 "[ . 1 . 2]" 1 809 1 35 LEU QD 1 47 ALA MB . . 4.900 4.599 4.315 4.948 0.048 20 0 "[ . 1 . 2]" 1 810 1 37 THR H 1 38 GLY QA . . 4.750 4.229 3.929 4.394 . 0 0 "[ . 1 . 2]" 1 811 1 38 GLY QA 1 40 TRP H . . 4.560 4.303 4.034 4.556 . 0 0 "[ . 1 . 2]" 1 812 1 38 GLY QA 1 40 TRP HE1 . . 4.640 3.749 3.438 3.917 . 0 0 "[ . 1 . 2]" 1 813 1 40 TRP H 1 59 LEU QD . . 4.960 4.200 3.982 4.490 . 0 0 "[ . 1 . 2]" 1 814 1 40 TRP HA 1 59 LEU QD . . 3.770 2.165 1.890 2.529 . 0 0 "[ . 1 . 2]" 1 815 1 43 VAL MG2 1 59 LEU QD . . 3.840 2.799 2.540 3.453 . 0 0 "[ . 1 . 2]" 1 816 1 44 LYS H 1 59 LEU QD . . 3.510 2.579 2.348 2.840 . 0 0 "[ . 1 . 2]" 1 817 1 44 LYS HA 1 59 LEU QD . . 4.250 2.852 2.320 3.182 . 0 0 "[ . 1 . 2]" 1 818 1 45 MET H 1 59 LEU QD . . 4.900 4.497 4.259 4.792 . 0 0 "[ . 1 . 2]" 1 819 1 48 PHE H 1 59 LEU QD . . 5.300 5.076 4.075 5.319 0.019 12 0 "[ . 1 . 2]" 1 820 1 48 PHE HD1 1 59 LEU QD . . 4.230 4.003 2.731 4.236 0.006 9 0 "[ . 1 . 2]" 1 821 1 56 TYR H 1 59 LEU QD . . 4.820 4.423 3.338 4.828 0.008 15 0 "[ . 1 . 2]" 1 822 1 56 TYR HA 1 59 LEU QD . . 3.790 2.239 1.910 2.567 . 0 0 "[ . 1 . 2]" 1 823 1 58 ASP H 1 59 LEU QD . . 5.000 4.446 3.998 4.691 . 0 0 "[ . 1 . 2]" 1 824 1 58 ASP HB3 1 59 LEU QD . . 5.040 4.638 3.314 5.026 . 0 0 "[ . 1 . 2]" 1 825 1 59 LEU H 1 59 LEU QD . . 3.440 2.917 2.674 3.065 . 0 0 "[ . 1 . 2]" 1 826 1 59 LEU HA 1 59 LEU QD . . 3.440 3.275 2.165 3.438 . 0 0 "[ . 1 . 2]" 1 827 1 59 LEU QD 1 60 LYS H . . 3.710 2.956 2.162 3.715 0.005 15 0 "[ . 1 . 2]" 1 828 1 59 LEU QD 1 62 LYS H . . 5.310 5.010 4.681 5.312 0.002 9 0 "[ . 1 . 2]" 1 829 1 63 TRP HA 1 66 LEU QD . . 3.470 2.675 2.415 2.928 . 0 0 "[ . 1 . 2]" 1 830 1 63 TRP HA 1 90 VAL QG . . 5.140 3.676 3.166 4.331 . 0 0 "[ . 1 . 2]" 1 831 1 63 TRP HD1 1 67 VAL QG . . 3.440 2.937 1.950 3.534 0.094 10 0 "[ . 1 . 2]" 1 832 1 63 TRP HE1 1 67 VAL QG . . 3.120 2.539 1.979 3.117 . 0 0 "[ . 1 . 2]" 1 833 1 64 LYS H 1 67 VAL QG . . 4.990 4.541 4.025 4.982 . 0 0 "[ . 1 . 2]" 1 834 1 64 LYS HA 1 67 VAL QG . . 3.800 2.974 2.194 3.735 . 0 0 "[ . 1 . 2]" 1 835 1 65 THR H 1 66 LEU QD . . 5.440 5.359 5.237 5.465 0.025 9 0 "[ . 1 . 2]" 1 836 1 65 THR MG 1 66 LEU QD . . 4.590 3.800 3.548 4.081 . 0 0 "[ . 1 . 2]" 1 837 1 66 LEU H 1 66 LEU QD . . 3.790 3.639 3.537 3.720 . 0 0 "[ . 1 . 2]" 1 838 1 66 LEU H 1 67 VAL QG . . 4.460 3.971 3.505 4.384 . 0 0 "[ . 1 . 2]" 1 839 1 66 LEU HA 1 66 LEU QD . . 3.020 2.392 2.140 2.665 . 0 0 "[ . 1 . 2]" 1 840 1 66 LEU HB3 1 67 VAL QG . . 4.080 3.387 2.886 3.983 . 0 0 "[ . 1 . 2]" 1 841 1 66 LEU HB3 1 90 VAL QG . . 3.680 2.248 1.853 3.022 . 0 0 "[ . 1 . 2]" 1 842 1 66 LEU HG 1 90 VAL QG . . 4.800 4.003 1.799 4.488 . 0 0 "[ . 1 . 2]" 1 843 1 66 LEU QD 1 67 VAL H . . 3.970 3.696 3.382 3.953 . 0 0 "[ . 1 . 2]" 1 844 1 66 LEU QD 1 69 THR HB . . 5.200 3.607 3.276 4.099 . 0 0 "[ . 1 . 2]" 1 845 1 66 LEU QD 1 70 ALA H . . 4.950 4.335 3.967 4.496 . 0 0 "[ . 1 . 2]" 1 846 1 66 LEU QD 1 70 ALA MB . . 3.930 3.938 3.572 4.008 0.078 14 0 "[ . 1 . 2]" 1 847 1 66 LEU QD 1 82 VAL HB . . 5.380 4.915 3.588 5.442 0.062 14 0 "[ . 1 . 2]" 1 848 1 66 LEU QD 1 87 LEU QD . . 2.920 2.025 1.808 2.399 . 0 0 "[ . 1 . 2]" 1 849 1 66 LEU QD 1 90 VAL QG . . 2.830 2.093 1.675 2.474 . 0 0 "[ . 1 . 2]" 1 850 1 67 VAL H 1 67 VAL QG . . 2.830 2.024 1.854 2.333 . 0 0 "[ . 1 . 2]" 1 851 1 67 VAL H 1 90 VAL QG . . 4.180 2.857 2.401 3.326 . 0 0 "[ . 1 . 2]" 1 852 1 67 VAL HA 1 67 VAL QG . . 2.820 2.185 2.082 2.332 . 0 0 "[ . 1 . 2]" 1 853 1 67 VAL HA 1 90 VAL QG . . 3.850 2.094 1.869 2.424 . 0 0 "[ . 1 . 2]" 1 854 1 67 VAL HA 1 91 LEU QD . . 3.880 3.040 2.185 3.833 . 0 0 "[ . 1 . 2]" 1 855 1 67 VAL HB 1 90 VAL QG . . 5.400 3.179 1.864 4.186 . 0 0 "[ . 1 . 2]" 1 856 1 67 VAL QG 1 68 HIS H . . 3.270 2.648 1.921 3.099 . 0 0 "[ . 1 . 2]" 1 857 1 67 VAL QG 1 68 HIS HA . . 4.220 3.291 3.034 3.763 . 0 0 "[ . 1 . 2]" 1 858 1 67 VAL QG 1 69 THR H . . 4.740 4.145 3.812 4.372 . 0 0 "[ . 1 . 2]" 1 859 1 67 VAL QG 1 70 ALA H . . 4.230 3.972 3.921 4.056 . 0 0 "[ . 1 . 2]" 1 860 1 67 VAL QG 1 70 ALA MB . . 3.310 3.068 2.956 3.185 . 0 0 "[ . 1 . 2]" 1 861 1 67 VAL QG 1 71 SER H . . 4.560 4.290 4.129 4.422 . 0 0 "[ . 1 . 2]" 1 862 1 67 VAL QG 1 72 ILE H . . 5.440 5.550 5.467 5.662 0.222 16 0 "[ . 1 . 2]" 1 863 1 67 VAL QG 1 72 ILE MG . . 4.760 4.334 4.113 4.712 . 0 0 "[ . 1 . 2]" 1 864 1 67 VAL QG 1 87 LEU QD . . 5.370 4.434 4.231 4.627 . 0 0 "[ . 1 . 2]" 1 865 1 67 VAL QG 1 90 VAL HA . . 5.170 4.518 3.735 5.195 0.025 8 0 "[ . 1 . 2]" 1 866 1 67 VAL QG 1 90 VAL QG . . 3.140 2.067 1.674 2.587 . 0 0 "[ . 1 . 2]" 1 867 1 67 VAL QG 1 91 LEU HA . . 4.200 3.022 2.303 3.616 . 0 0 "[ . 1 . 2]" 1 868 1 67 VAL QG 1 91 LEU QD . . 3.100 2.006 1.731 2.467 . 0 0 "[ . 1 . 2]" 1 869 1 67 VAL QG 1 95 ALA H . . 5.440 4.824 4.191 5.446 0.006 19 0 "[ . 1 . 2]" 1 870 1 68 HIS H 1 90 VAL QG . . 5.440 4.570 4.161 4.967 . 0 0 "[ . 1 . 2]" 1 871 1 69 THR HB 1 82 VAL QG . . 4.690 3.887 3.170 4.710 0.020 15 0 "[ . 1 . 2]" 1 872 1 69 THR HB 1 87 LEU QD . . 4.040 2.698 2.129 3.726 . 0 0 "[ . 1 . 2]" 1 873 1 69 THR MG 1 82 VAL QG . . 3.330 2.043 1.660 2.486 . 0 0 "[ . 1 . 2]" 1 874 1 70 ALA H 1 87 LEU QD . . 3.730 2.518 2.400 2.723 . 0 0 "[ . 1 . 2]" 1 875 1 70 ALA H 1 90 VAL QG . . 4.410 4.197 3.738 4.504 0.094 20 0 "[ . 1 . 2]" 1 876 1 70 ALA HA 1 82 VAL QG . . 4.790 4.204 3.831 4.589 . 0 0 "[ . 1 . 2]" 1 877 1 70 ALA HA 1 87 LEU QD . . 3.290 1.817 1.735 1.893 . 0 0 "[ . 1 . 2]" 1 878 1 70 ALA HA 1 90 VAL QG . . 5.220 4.805 4.314 5.303 0.083 14 0 "[ . 1 . 2]" 1 879 1 70 ALA HA 1 91 LEU QD . . 4.790 3.729 3.624 3.918 . 0 0 "[ . 1 . 2]" 1 880 1 70 ALA MB 1 87 LEU QD . . 3.440 2.331 2.016 2.489 . 0 0 "[ . 1 . 2]" 1 881 1 72 ILE MD 1 91 LEU QD . . 2.810 2.372 1.847 2.780 . 0 0 "[ . 1 . 2]" 1 882 1 81 PRO HA 1 82 VAL QG . . 5.320 3.477 3.337 3.601 . 0 0 "[ . 1 . 2]" 1 883 1 82 VAL H 1 82 VAL QG . . 2.810 2.136 1.895 2.483 . 0 0 "[ . 1 . 2]" 1 884 1 82 VAL HA 1 82 VAL QG . . 2.830 2.288 2.072 2.413 . 0 0 "[ . 1 . 2]" 1 885 1 82 VAL HA 1 87 LEU QD . . 4.520 4.462 4.043 4.619 0.099 7 0 "[ . 1 . 2]" 1 886 1 82 VAL HB 1 87 LEU QD . . 3.690 3.013 2.201 3.678 . 0 0 "[ . 1 . 2]" 1 887 1 82 VAL QG 1 83 PRO HA . . 4.250 4.047 3.763 4.263 0.013 20 0 "[ . 1 . 2]" 1 888 1 82 VAL QG 1 83 PRO HD3 . . 4.600 3.474 3.137 3.874 . 0 0 "[ . 1 . 2]" 1 889 1 82 VAL QG 1 84 GLN HA . . 4.480 3.936 3.633 4.452 . 0 0 "[ . 1 . 2]" 1 890 1 82 VAL QG 1 87 LEU H . . 4.200 3.952 3.601 4.411 0.211 12 0 "[ . 1 . 2]" 1 891 1 82 VAL QG 1 87 LEU HB3 . . 4.500 4.313 4.046 4.514 0.014 19 0 "[ . 1 . 2]" 1 892 1 82 VAL QG 1 87 LEU HG . . 3.480 2.306 2.013 2.676 . 0 0 "[ . 1 . 2]" 1 893 1 82 VAL QG 1 87 LEU QD . . 2.600 1.748 1.636 2.045 . 0 0 "[ . 1 . 2]" 1 894 1 84 GLN HA 1 87 LEU QD . . 3.690 3.076 2.821 3.212 . 0 0 "[ . 1 . 2]" 1 895 1 86 LEU H 1 87 LEU QD . . 4.620 4.679 4.579 4.748 0.128 19 0 "[ . 1 . 2]" 1 896 1 87 LEU H 1 87 LEU QD . . 3.350 2.990 2.849 3.213 . 0 0 "[ . 1 . 2]" 1 897 1 87 LEU H 1 90 VAL QG . . 4.850 4.273 3.840 4.910 0.060 18 0 "[ . 1 . 2]" 1 898 1 87 LEU HA 1 87 LEU QD . . 2.910 1.928 1.913 1.956 . 0 0 "[ . 1 . 2]" 1 899 1 87 LEU HA 1 90 VAL QG . . 3.090 2.544 1.878 3.028 . 0 0 "[ . 1 . 2]" 1 900 1 87 LEU QD 1 88 ASP H . . 4.160 4.088 3.951 4.161 0.001 13 0 "[ . 1 . 2]" 1 901 1 87 LEU QD 1 90 VAL H . . 4.880 4.820 4.685 4.922 0.042 12 0 "[ . 1 . 2]" 1 902 1 87 LEU QD 1 90 VAL QG . . 4.480 2.982 2.586 3.340 . 0 0 "[ . 1 . 2]" 1 903 1 87 LEU QD 1 91 LEU H . . 5.440 5.083 4.900 5.295 . 0 0 "[ . 1 . 2]" 1 904 1 88 ASP H 1 90 VAL QG . . 4.960 4.549 3.926 4.983 0.023 17 0 "[ . 1 . 2]" 1 905 1 88 ASP HA 1 91 LEU QD . . 3.490 3.249 2.841 3.565 0.075 16 0 "[ . 1 . 2]" 1 906 1 89 ARG H 1 90 VAL QG . . 4.610 4.110 3.784 4.585 . 0 0 "[ . 1 . 2]" 1 907 1 90 VAL H 1 90 VAL QG . . 3.010 2.416 1.986 2.865 . 0 0 "[ . 1 . 2]" 1 908 1 90 VAL H 1 91 LEU QD . . 5.440 4.773 4.014 5.245 . 0 0 "[ . 1 . 2]" 1 909 1 90 VAL HA 1 90 VAL QG . . 3.090 2.117 1.920 2.227 . 0 0 "[ . 1 . 2]" 1 910 1 90 VAL HA 1 91 LEU QD . . 5.440 5.112 4.334 5.542 0.102 1 0 "[ . 1 . 2]" 1 911 1 90 VAL QG 1 91 LEU H . . 3.560 2.499 1.961 3.140 . 0 0 "[ . 1 . 2]" 1 912 1 90 VAL QG 1 93 ALA H . . 4.700 4.483 4.381 4.610 . 0 0 "[ . 1 . 2]" 1 913 1 90 VAL QG 1 93 ALA MB . . 4.520 3.921 3.678 4.119 . 0 0 "[ . 1 . 2]" 1 914 1 90 VAL QG 1 94 HIS H . . 5.440 3.753 3.579 4.066 . 0 0 "[ . 1 . 2]" 1 915 1 91 LEU HA 1 91 LEU QD . . 2.930 1.993 1.878 2.226 . 0 0 "[ . 1 . 2]" 1 916 1 91 LEU HB3 1 91 LEU QD . . 2.980 2.225 2.064 2.442 . 0 0 "[ . 1 . 2]" 1 917 1 91 LEU QD 1 92 ALA H . . 4.860 4.141 3.937 4.300 . 0 0 "[ . 1 . 2]" 1 918 1 91 LEU QD 1 94 HIS H . . 5.440 4.804 4.330 5.142 . 0 0 "[ . 1 . 2]" 1 919 1 91 LEU QD 1 95 ALA H . . 5.440 4.540 3.950 5.144 . 0 0 "[ . 1 . 2]" 1 stop_ save_ save_distance_constraint_statistics_2 _Distance_constraint_stats_list.Sf_category distance_constraint_statistics _Distance_constraint_stats_list.Constraint_list_ID 2 _Distance_constraint_stats_list.Constraint_count 62 _Distance_constraint_stats_list.Viol_count 227 _Distance_constraint_stats_list.Viol_total 205.792 _Distance_constraint_stats_list.Viol_max 0.346 _Distance_constraint_stats_list.Viol_rms 0.0286 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0083 _Distance_constraint_stats_list.Viol_average_violations_only 0.0453 _Distance_constraint_stats_list.Cutoff_violation_report 0.500 _Distance_constraint_stats_list.Details . loop_ _Distance_constraint_stats_per_res.Atom_entity_assembly_ID _Distance_constraint_stats_per_res.Atom_comp_index_ID _Distance_constraint_stats_per_res.Atom_comp_ID _Distance_constraint_stats_per_res.Total_violation _Distance_constraint_stats_per_res.Max_violation _Distance_constraint_stats_per_res.Max_violation_model_number _Distance_constraint_stats_per_res.Over_cutoff_viol_count _Distance_constraint_stats_per_res.Over_cutoff_viol_per_model 1 25 VAL 0.204 0.058 17 0 "[ . 1 . 2]" 1 26 GLU 0.000 0.000 . 0 "[ . 1 . 2]" 1 27 ALA 0.028 0.012 14 0 "[ . 1 . 2]" 1 28 LEU 0.013 0.013 19 0 "[ . 1 . 2]" 1 29 VAL 3.554 0.346 6 0 "[ . 1 . 2]" 1 30 GLU 0.825 0.124 10 0 "[ . 1 . 2]" 1 31 ALA 0.028 0.012 14 0 "[ . 1 . 2]" 1 32 VAL 3.363 0.346 6 0 "[ . 1 . 2]" 1 34 HIS 0.825 0.124 10 0 "[ . 1 . 2]" 1 35 LEU 0.000 0.000 . 0 "[ . 1 . 2]" 1 40 TRP 0.005 0.005 9 0 "[ . 1 . 2]" 1 41 ARG 1.042 0.078 9 0 "[ . 1 . 2]" 1 42 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 44 LYS 0.005 0.005 9 0 "[ . 1 . 2]" 1 45 MET 1.042 0.078 9 0 "[ . 1 . 2]" 1 46 ARG 0.000 0.000 . 0 "[ . 1 . 2]" 1 57 VAL 0.024 0.022 13 0 "[ . 1 . 2]" 1 58 ASP 0.460 0.067 9 0 "[ . 1 . 2]" 1 59 LEU 0.177 0.056 12 0 "[ . 1 . 2]" 1 60 LYS 0.004 0.004 16 0 "[ . 1 . 2]" 1 61 ASP 0.118 0.041 7 0 "[ . 1 . 2]" 1 62 LYS 0.643 0.067 9 0 "[ . 1 . 2]" 1 63 TRP 0.177 0.056 12 0 "[ . 1 . 2]" 1 64 LYS 0.594 0.079 10 0 "[ . 1 . 2]" 1 65 THR 0.388 0.089 15 0 "[ . 1 . 2]" 1 66 LEU 1.116 0.116 1 0 "[ . 1 . 2]" 1 67 VAL 0.000 0.000 . 0 "[ . 1 . 2]" 1 68 HIS 0.589 0.079 10 0 "[ . 1 . 2]" 1 69 THR 0.294 0.089 15 0 "[ . 1 . 2]" 1 70 ALA 0.932 0.116 1 0 "[ . 1 . 2]" 1 85 ASP 0.475 0.087 20 0 "[ . 1 . 2]" 1 86 LEU 0.000 0.000 . 0 "[ . 1 . 2]" 1 87 LEU 0.750 0.164 12 0 "[ . 1 . 2]" 1 88 ASP 0.432 0.095 10 0 "[ . 1 . 2]" 1 89 ARG 0.659 0.087 20 0 "[ . 1 . 2]" 1 90 VAL 0.000 0.000 . 0 "[ . 1 . 2]" 1 91 LEU 0.824 0.164 12 0 "[ . 1 . 2]" 1 92 ALA 0.495 0.095 10 0 "[ . 1 . 2]" 1 93 ALA 0.184 0.061 18 0 "[ . 1 . 2]" 1 94 HIS 0.036 0.024 20 0 "[ . 1 . 2]" 1 95 ALA 0.124 0.075 19 0 "[ . 1 . 2]" 1 96 TYR 0.064 0.042 19 0 "[ . 1 . 2]" 1 97 TRP 0.000 0.000 . 0 "[ . 1 . 2]" 1 98 SER 0.036 0.024 20 0 "[ . 1 . 2]" 1 99 GLN 0.049 0.034 5 0 "[ . 1 . 2]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 25 VAL O 1 29 VAL H . . 2.300 2.170 1.932 2.358 0.058 17 0 "[ . 1 . 2]" 2 2 1 25 VAL O 1 29 VAL N . . 3.300 3.129 2.910 3.308 0.008 19 0 "[ . 1 . 2]" 2 3 1 26 GLU O 1 30 GLU H . . 2.300 1.999 1.795 2.299 . 0 0 "[ . 1 . 2]" 2 4 1 26 GLU O 1 30 GLU N . . 3.300 2.921 2.746 3.230 . 0 0 "[ . 1 . 2]" 2 5 1 27 ALA O 1 31 ALA H . . 2.300 2.031 1.800 2.312 0.012 14 0 "[ . 1 . 2]" 2 6 1 27 ALA O 1 31 ALA N . . 3.300 2.888 2.720 3.215 . 0 0 "[ . 1 . 2]" 2 7 1 28 LEU O 1 32 VAL H . . 2.300 2.115 1.942 2.313 0.013 19 0 "[ . 1 . 2]" 2 8 1 28 LEU O 1 32 VAL N . . 3.300 3.006 2.871 3.150 . 0 0 "[ . 1 . 2]" 2 9 1 29 VAL O 1 32 VAL H . . 2.300 2.467 2.364 2.646 0.346 6 0 "[ . 1 . 2]" 2 10 1 29 VAL O 1 32 VAL N . . 3.300 2.970 2.877 3.151 . 0 0 "[ . 1 . 2]" 2 11 1 30 GLU O 1 34 HIS H . . 2.300 2.317 2.110 2.424 0.124 10 0 "[ . 1 . 2]" 2 12 1 30 GLU O 1 34 HIS N . . 3.300 3.208 3.020 3.325 0.025 10 0 "[ . 1 . 2]" 2 13 1 31 ALA O 1 35 LEU H . . 2.300 1.862 1.785 1.978 . 0 0 "[ . 1 . 2]" 2 14 1 31 ALA O 1 35 LEU N . . 3.300 2.767 2.710 2.906 . 0 0 "[ . 1 . 2]" 2 15 1 40 TRP O 1 44 LYS H . . 2.300 2.167 1.809 2.305 0.005 9 0 "[ . 1 . 2]" 2 16 1 40 TRP O 1 44 LYS N . . 3.300 3.015 2.740 3.135 . 0 0 "[ . 1 . 2]" 2 17 1 41 ARG O 1 45 MET H . . 2.300 2.337 2.168 2.378 0.078 9 0 "[ . 1 . 2]" 2 18 1 41 ARG O 1 45 MET N . . 3.300 3.279 3.126 3.333 0.033 11 0 "[ . 1 . 2]" 2 19 1 42 ASP O 1 46 ARG H . . 2.300 1.914 1.828 2.176 . 0 0 "[ . 1 . 2]" 2 20 1 42 ASP O 1 46 ARG N . . 3.300 2.774 2.709 3.005 . 0 0 "[ . 1 . 2]" 2 21 1 57 VAL O 1 61 ASP H . . 2.300 2.057 1.785 2.322 0.022 13 0 "[ . 1 . 2]" 2 22 1 57 VAL O 1 61 ASP N . . 3.300 2.931 2.718 3.253 . 0 0 "[ . 1 . 2]" 2 23 1 58 ASP O 1 62 LYS H . . 2.300 2.289 1.940 2.367 0.067 9 0 "[ . 1 . 2]" 2 24 1 58 ASP O 1 62 LYS N . . 3.300 3.218 2.808 3.330 0.030 9 0 "[ . 1 . 2]" 2 25 1 59 LEU O 1 63 TRP H . . 2.300 2.250 1.846 2.356 0.056 12 0 "[ . 1 . 2]" 2 26 1 59 LEU O 1 63 TRP N . . 3.300 3.132 2.741 3.246 . 0 0 "[ . 1 . 2]" 2 27 1 60 LYS O 1 64 LYS H . . 2.300 2.141 1.825 2.304 0.004 16 0 "[ . 1 . 2]" 2 28 1 60 LYS O 1 64 LYS N . . 3.300 3.093 2.739 3.251 . 0 0 "[ . 1 . 2]" 2 29 1 61 ASP O 1 65 THR H . . 2.300 2.165 1.852 2.341 0.041 7 0 "[ . 1 . 2]" 2 30 1 61 ASP O 1 65 THR N . . 3.300 3.129 2.825 3.295 . 0 0 "[ . 1 . 2]" 2 31 1 62 LYS O 1 66 LEU H . . 2.300 2.252 2.123 2.343 0.043 9 0 "[ . 1 . 2]" 2 32 1 62 LYS O 1 66 LEU N . . 3.300 3.021 2.895 3.089 . 0 0 "[ . 1 . 2]" 2 33 1 63 TRP O 1 67 VAL H . . 2.300 2.038 1.825 2.177 . 0 0 "[ . 1 . 2]" 2 34 1 63 TRP O 1 67 VAL N . . 3.300 2.994 2.793 3.136 . 0 0 "[ . 1 . 2]" 2 35 1 64 LYS O 1 68 HIS H . . 2.300 2.300 2.162 2.379 0.079 10 0 "[ . 1 . 2]" 2 36 1 64 LYS O 1 68 HIS N . . 3.300 3.259 3.129 3.350 0.050 13 0 "[ . 1 . 2]" 2 37 1 65 THR O 1 69 THR H . . 2.300 2.259 2.004 2.389 0.089 15 0 "[ . 1 . 2]" 2 38 1 65 THR O 1 69 THR N . . 3.300 3.016 2.753 3.234 . 0 0 "[ . 1 . 2]" 2 39 1 66 LEU O 1 70 ALA H . . 2.300 2.315 2.013 2.416 0.116 1 0 "[ . 1 . 2]" 2 40 1 66 LEU O 1 70 ALA N . . 3.300 3.087 2.784 3.195 . 0 0 "[ . 1 . 2]" 2 41 1 85 ASP O 1 89 ARG H . . 2.300 2.294 2.132 2.387 0.087 20 0 "[ . 1 . 2]" 2 42 1 85 ASP O 1 89 ARG N . . 3.300 3.156 2.985 3.328 0.028 20 0 "[ . 1 . 2]" 2 43 1 86 LEU O 1 90 VAL H . . 2.300 1.872 1.779 2.160 . 0 0 "[ . 1 . 2]" 2 44 1 86 LEU O 1 90 VAL N . . 3.300 2.807 2.717 3.076 . 0 0 "[ . 1 . 2]" 2 45 1 87 LEU O 1 91 LEU H . . 2.300 2.261 2.001 2.464 0.164 12 0 "[ . 1 . 2]" 2 46 1 87 LEU O 1 91 LEU N . . 3.300 3.161 2.948 3.272 . 0 0 "[ . 1 . 2]" 2 47 1 88 ASP O 1 92 ALA H . . 2.300 2.295 2.106 2.395 0.095 10 0 "[ . 1 . 2]" 2 48 1 88 ASP O 1 92 ALA N . . 3.300 3.130 2.873 3.229 . 0 0 "[ . 1 . 2]" 2 49 1 89 ARG O 1 93 ALA H . . 2.300 2.213 2.000 2.361 0.061 18 0 "[ . 1 . 2]" 2 50 1 89 ARG O 1 93 ALA N . . 3.300 3.166 2.958 3.321 0.021 18 0 "[ . 1 . 2]" 2 51 1 90 VAL O 1 94 HIS H . . 2.300 1.959 1.808 2.165 . 0 0 "[ . 1 . 2]" 2 52 1 90 VAL O 1 94 HIS N . . 3.300 2.884 2.756 3.087 . 0 0 "[ . 1 . 2]" 2 53 1 91 LEU O 1 95 ALA H . . 2.300 2.041 1.796 2.375 0.075 19 0 "[ . 1 . 2]" 2 54 1 91 LEU O 1 95 ALA N . . 3.300 2.923 2.729 3.110 . 0 0 "[ . 1 . 2]" 2 55 1 92 ALA O 1 96 TYR H . . 2.300 2.076 1.817 2.342 0.042 19 0 "[ . 1 . 2]" 2 56 1 92 ALA O 1 96 TYR N . . 3.300 2.989 2.732 3.268 . 0 0 "[ . 1 . 2]" 2 57 1 93 ALA O 1 97 TRP H . . 2.300 1.802 1.779 1.880 . 0 0 "[ . 1 . 2]" 2 58 1 93 ALA O 1 97 TRP N . . 3.300 2.770 2.745 2.858 . 0 0 "[ . 1 . 2]" 2 59 1 94 HIS O 1 98 SER H . . 2.300 2.179 1.887 2.324 0.024 20 0 "[ . 1 . 2]" 2 60 1 94 HIS O 1 98 SER N . . 3.300 2.978 2.747 3.092 . 0 0 "[ . 1 . 2]" 2 61 1 95 ALA O 1 99 GLN H . . 2.300 2.255 1.841 2.334 0.034 5 0 "[ . 1 . 2]" 2 62 1 95 ALA O 1 99 GLN N . . 3.300 3.091 2.721 3.271 . 0 0 "[ . 1 . 2]" 2 stop_ save_
Contact the webmaster for help, if required. Thursday, May 23, 2024 12:54:13 PM GMT (wattos1)