NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
454225 | 2yua | 11144 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2yua 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 1246 _Distance_constraint_stats_list.Viol_count 108 _Distance_constraint_stats_list.Viol_total 12.839 _Distance_constraint_stats_list.Viol_max 0.081 _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 0.0059 _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 10 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 11 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 13 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 14 TYR 0.078 0.019 17 0 "[ . 1 . 2]" 1 15 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 16 ARG 0.079 0.019 17 0 "[ . 1 . 2]" 1 17 THR 0.157 0.081 16 0 "[ . 1 . 2]" 1 18 ALA 0.017 0.007 12 0 "[ . 1 . 2]" 1 19 LEU 0.003 0.001 2 0 "[ . 1 . 2]" 1 20 TYR 0.004 0.002 12 0 "[ . 1 . 2]" 1 21 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 22 LEU 0.000 0.000 11 0 "[ . 1 . 2]" 1 23 LEU 0.001 0.001 9 0 "[ . 1 . 2]" 1 24 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 25 VAL 0.000 0.000 14 0 "[ . 1 . 2]" 1 26 PRO 0.000 0.000 15 0 "[ . 1 . 2]" 1 27 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 28 THR 0.014 0.008 17 0 "[ . 1 . 2]" 1 29 ALA 0.009 0.008 17 0 "[ . 1 . 2]" 1 30 THR 0.000 0.000 . 0 "[ . 1 . 2]" 1 31 GLN 0.000 0.000 17 0 "[ . 1 . 2]" 1 32 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 33 GLN 0.000 0.000 12 0 "[ . 1 . 2]" 1 34 ILE 0.001 0.000 14 0 "[ . 1 . 2]" 1 35 LYS 0.000 0.000 3 0 "[ . 1 . 2]" 1 36 ALA 0.000 0.000 17 0 "[ . 1 . 2]" 1 37 ALA 0.000 0.000 7 0 "[ . 1 . 2]" 1 38 TYR 0.001 0.001 15 0 "[ . 1 . 2]" 1 39 TYR 0.000 0.000 . 0 "[ . 1 . 2]" 1 40 ARG 0.005 0.004 14 0 "[ . 1 . 2]" 1 41 GLN 0.005 0.004 14 0 "[ . 1 . 2]" 1 42 CYS 0.000 0.000 . 0 "[ . 1 . 2]" 1 43 PHE 0.000 0.000 . 0 "[ . 1 . 2]" 1 44 LEU 0.002 0.001 19 0 "[ . 1 . 2]" 1 45 TYR 0.002 0.001 19 0 "[ . 1 . 2]" 1 46 HIS 0.004 0.002 3 0 "[ . 1 . 2]" 1 47 PRO 0.004 0.002 3 0 "[ . 1 . 2]" 1 48 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 49 ARG 0.000 0.000 . 0 "[ . 1 . 2]" 1 50 ASN 0.001 0.001 9 0 "[ . 1 . 2]" 1 52 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 53 SER 0.025 0.006 18 0 "[ . 1 . 2]" 1 54 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 55 GLU 0.038 0.023 20 0 "[ . 1 . 2]" 1 56 ALA 0.017 0.006 18 0 "[ . 1 . 2]" 1 57 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 58 GLU 0.002 0.002 9 0 "[ . 1 . 2]" 1 59 ARG 0.032 0.029 5 0 "[ . 1 . 2]" 1 60 PHE 0.003 0.003 15 0 "[ . 1 . 2]" 1 61 THR 0.013 0.011 9 0 "[ . 1 . 2]" 1 62 ARG 0.017 0.011 9 0 "[ . 1 . 2]" 1 63 ILE 0.004 0.003 15 0 "[ . 1 . 2]" 1 64 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 65 GLN 0.002 0.002 15 0 "[ . 1 . 2]" 1 66 ALA 0.001 0.001 2 0 "[ . 1 . 2]" 1 67 TYR 0.001 0.001 15 0 "[ . 1 . 2]" 1 68 VAL 0.000 0.000 7 0 "[ . 1 . 2]" 1 69 VAL 0.000 0.000 7 0 "[ . 1 . 2]" 1 70 LEU 0.001 0.001 10 0 "[ . 1 . 2]" 1 71 GLY 0.001 0.000 7 0 "[ . 1 . 2]" 1 72 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 73 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 74 THR 0.000 0.000 7 0 "[ . 1 . 2]" 1 75 LEU 0.000 0.000 7 0 "[ . 1 . 2]" 1 76 ARG 0.000 0.000 . 0 "[ . 1 . 2]" 1 77 ARG 0.227 0.067 19 0 "[ . 1 . 2]" 1 78 LYS 0.134 0.067 19 0 "[ . 1 . 2]" 1 79 TYR 0.001 0.000 7 0 "[ . 1 . 2]" 1 80 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 81 ARG 0.007 0.003 2 0 "[ . 1 . 2]" 1 82 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 83 LEU 0.005 0.003 15 0 "[ . 1 . 2]" 1 84 LEU 0.003 0.002 6 0 "[ . 1 . 2]" 1 85 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 86 ASP 0.001 0.001 19 0 "[ . 1 . 2]" 1 87 GLU 0.000 0.000 15 0 "[ . 1 . 2]" 1 88 ASP 0.011 0.007 19 0 "[ . 1 . 2]" 1 89 LEU 0.009 0.007 19 0 "[ . 1 . 2]" 1 90 ARG 0.005 0.004 18 0 "[ . 1 . 2]" 1 91 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 92 PRO 0.000 0.000 . 0 "[ . 1 . 2]" 1 93 GLY 0.000 0.000 . 0 "[ . 1 . 2]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 10 GLY QA 1 11 ASP H . . 3.410 2.255 2.113 2.668 . 0 0 "[ . 1 . 2]" 1 2 1 11 ASP H 1 11 ASP QB . . 3.630 2.644 2.205 3.307 . 0 0 "[ . 1 . 2]" 1 3 1 13 SER H 1 14 TYR H . . 4.840 3.510 2.089 4.588 . 0 0 "[ . 1 . 2]" 1 4 1 13 SER QB 1 14 TYR H . . 4.330 2.631 1.996 3.838 . 0 0 "[ . 1 . 2]" 1 5 1 13 SER QB 1 14 TYR QD . . 4.570 3.331 2.069 4.153 . 0 0 "[ . 1 . 2]" 1 6 1 13 SER QB 1 14 TYR QE . . 4.540 4.017 3.332 4.536 . 0 0 "[ . 1 . 2]" 1 7 1 14 TYR H 1 14 TYR HB2 . . 3.760 3.403 2.151 3.757 . 0 0 "[ . 1 . 2]" 1 8 1 14 TYR H 1 14 TYR HB3 . . 3.760 3.013 2.324 3.626 . 0 0 "[ . 1 . 2]" 1 9 1 14 TYR H 1 14 TYR QD . . 3.550 2.637 2.014 3.142 . 0 0 "[ . 1 . 2]" 1 10 1 14 TYR H 1 14 TYR QE . . 4.930 4.165 3.709 4.924 . 0 0 "[ . 1 . 2]" 1 11 1 14 TYR H 1 15 SER H . . 5.310 4.309 1.806 4.646 . 0 0 "[ . 1 . 2]" 1 12 1 14 TYR QD 1 16 ARG HA . . 4.550 4.211 3.385 4.569 0.019 17 0 "[ . 1 . 2]" 1 13 1 14 TYR QD 1 16 ARG QB . . 4.160 2.502 1.966 3.905 . 0 0 "[ . 1 . 2]" 1 14 1 14 TYR QD 1 16 ARG QG . . 5.000 3.894 2.000 4.983 . 0 0 "[ . 1 . 2]" 1 15 1 14 TYR QE 1 16 ARG QB . . 4.250 3.124 2.001 4.261 0.011 11 0 "[ . 1 . 2]" 1 16 1 14 TYR QE 1 16 ARG QD . . 4.640 3.771 2.065 4.642 0.002 17 0 "[ . 1 . 2]" 1 17 1 15 SER QB 1 18 ALA H . . 4.440 3.798 2.896 4.412 . 0 0 "[ . 1 . 2]" 1 18 1 15 SER QB 1 18 ALA MB . . 3.470 2.387 1.922 3.393 . 0 0 "[ . 1 . 2]" 1 19 1 16 ARG HA 1 16 ARG QG . . 3.640 2.701 2.185 3.442 . 0 0 "[ . 1 . 2]" 1 20 1 16 ARG HA 1 79 TYR QE . . 4.080 3.184 2.073 3.992 . 0 0 "[ . 1 . 2]" 1 21 1 16 ARG QB 1 16 ARG QD . . 3.280 2.178 2.059 2.374 . 0 0 "[ . 1 . 2]" 1 22 1 16 ARG QB 1 79 TYR QE . . 4.880 3.524 1.992 4.879 . 0 0 "[ . 1 . 2]" 1 23 1 16 ARG HB2 1 16 ARG QD . . 3.900 2.564 2.195 3.397 . 0 0 "[ . 1 . 2]" 1 24 1 16 ARG HB3 1 16 ARG QD . . 3.900 2.639 2.102 3.384 . 0 0 "[ . 1 . 2]" 1 25 1 16 ARG QD 1 79 TYR QE . . 5.010 3.939 2.061 5.010 0.000 18 0 "[ . 1 . 2]" 1 26 1 17 THR H 1 17 THR MG . . 3.700 3.012 2.019 3.781 0.081 16 0 "[ . 1 . 2]" 1 27 1 17 THR H 1 18 ALA H . . 3.230 2.691 1.818 3.203 . 0 0 "[ . 1 . 2]" 1 28 1 17 THR H 1 18 ALA HA . . 5.000 4.674 4.268 5.002 0.002 10 0 "[ . 1 . 2]" 1 29 1 17 THR H 1 18 ALA MB . . 4.120 3.984 3.441 4.127 0.007 12 0 "[ . 1 . 2]" 1 30 1 17 THR HA 1 17 THR MG . . 3.230 2.408 2.031 3.205 . 0 0 "[ . 1 . 2]" 1 31 1 17 THR HA 1 20 TYR H . . 4.760 3.634 3.386 3.856 . 0 0 "[ . 1 . 2]" 1 32 1 17 THR HA 1 20 TYR QD . . 4.170 2.219 1.999 2.532 . 0 0 "[ . 1 . 2]" 1 33 1 17 THR HB 1 20 TYR QD . . 4.700 4.127 2.554 4.699 . 0 0 "[ . 1 . 2]" 1 34 1 17 THR MG 1 20 TYR QB . . 4.400 3.440 2.443 4.337 . 0 0 "[ . 1 . 2]" 1 35 1 17 THR MG 1 20 TYR QD . . 4.110 3.667 3.137 4.086 . 0 0 "[ . 1 . 2]" 1 36 1 17 THR MG 1 27 SER QB . . 4.170 3.792 3.035 4.166 . 0 0 "[ . 1 . 2]" 1 37 1 18 ALA H 1 18 ALA MB . . 3.230 2.201 2.046 2.365 . 0 0 "[ . 1 . 2]" 1 38 1 18 ALA H 1 19 LEU H . . 4.210 2.694 2.350 3.102 . 0 0 "[ . 1 . 2]" 1 39 1 18 ALA H 1 20 TYR H . . 5.090 3.791 3.506 4.240 . 0 0 "[ . 1 . 2]" 1 40 1 18 ALA HA 1 21 ASP H . . 4.410 3.114 2.918 3.386 . 0 0 "[ . 1 . 2]" 1 41 1 18 ALA HA 1 21 ASP QB . . 3.600 2.492 2.210 2.780 . 0 0 "[ . 1 . 2]" 1 42 1 18 ALA MB 1 19 LEU H . . 3.660 2.248 2.007 2.569 . 0 0 "[ . 1 . 2]" 1 43 1 18 ALA MB 1 19 LEU HA . . 4.340 3.668 3.544 3.781 . 0 0 "[ . 1 . 2]" 1 44 1 18 ALA MB 1 19 LEU MD1 . . 4.730 4.550 4.344 4.731 0.001 12 0 "[ . 1 . 2]" 1 45 1 18 ALA MB 1 19 LEU MD2 . . 3.740 2.547 2.274 2.774 . 0 0 "[ . 1 . 2]" 1 46 1 18 ALA MB 1 20 TYR H . . 4.700 4.078 3.931 4.361 . 0 0 "[ . 1 . 2]" 1 47 1 18 ALA MB 1 20 TYR QD . . 4.730 4.650 4.390 4.732 0.002 12 0 "[ . 1 . 2]" 1 48 1 18 ALA MB 1 21 ASP QB . . 4.220 3.753 3.471 4.014 . 0 0 "[ . 1 . 2]" 1 49 1 19 LEU H 1 19 LEU HB2 . . 3.980 2.864 2.742 3.041 . 0 0 "[ . 1 . 2]" 1 50 1 19 LEU H 1 19 LEU HB3 . . 3.860 3.541 3.509 3.565 . 0 0 "[ . 1 . 2]" 1 51 1 19 LEU H 1 19 LEU MD1 . . 4.000 3.625 3.585 3.678 . 0 0 "[ . 1 . 2]" 1 52 1 19 LEU H 1 19 LEU MD2 . . 3.880 2.196 1.874 2.575 . 0 0 "[ . 1 . 2]" 1 53 1 19 LEU H 1 19 LEU HG . . 3.530 1.980 1.901 2.063 . 0 0 "[ . 1 . 2]" 1 54 1 19 LEU H 1 20 TYR H . . 3.730 2.811 2.708 3.036 . 0 0 "[ . 1 . 2]" 1 55 1 19 LEU H 1 20 TYR QD . . 4.590 3.414 3.181 3.809 . 0 0 "[ . 1 . 2]" 1 56 1 19 LEU H 1 20 TYR QE . . 4.820 4.453 4.208 4.671 . 0 0 "[ . 1 . 2]" 1 57 1 19 LEU HA 1 19 LEU MD1 . . 4.110 3.827 3.759 3.873 . 0 0 "[ . 1 . 2]" 1 58 1 19 LEU HA 1 19 LEU MD2 . . 3.180 2.173 1.971 2.315 . 0 0 "[ . 1 . 2]" 1 59 1 19 LEU HA 1 22 LEU H . . 3.950 3.787 3.543 3.949 . 0 0 "[ . 1 . 2]" 1 60 1 19 LEU HA 1 22 LEU HB2 . . 4.170 3.035 2.890 3.116 . 0 0 "[ . 1 . 2]" 1 61 1 19 LEU HA 1 22 LEU HB3 . . 4.670 4.580 4.376 4.670 0.000 11 0 "[ . 1 . 2]" 1 62 1 19 LEU HA 1 22 LEU MD1 . . 3.540 2.162 1.984 2.435 . 0 0 "[ . 1 . 2]" 1 63 1 19 LEU HA 1 23 LEU H . . 5.330 4.814 4.568 5.146 . 0 0 "[ . 1 . 2]" 1 64 1 19 LEU HA 1 66 ALA MB . . 3.720 2.352 2.019 2.629 . 0 0 "[ . 1 . 2]" 1 65 1 19 LEU HB2 1 19 LEU MD1 . . 3.380 2.452 2.328 2.545 . 0 0 "[ . 1 . 2]" 1 66 1 19 LEU HB2 1 20 TYR H . . 4.450 3.035 2.500 3.244 . 0 0 "[ . 1 . 2]" 1 67 1 19 LEU HB2 1 20 TYR HA . . 4.440 4.191 3.941 4.327 . 0 0 "[ . 1 . 2]" 1 68 1 19 LEU HB2 1 20 TYR QE . . 4.170 3.506 3.171 3.887 . 0 0 "[ . 1 . 2]" 1 69 1 19 LEU HB2 1 66 ALA HA . . 4.310 3.825 3.613 4.026 . 0 0 "[ . 1 . 2]" 1 70 1 19 LEU HB2 1 70 LEU MD1 . . 4.340 2.182 1.963 2.673 . 0 0 "[ . 1 . 2]" 1 71 1 19 LEU HB2 1 70 LEU MD2 . . 3.820 2.863 2.256 3.372 . 0 0 "[ . 1 . 2]" 1 72 1 19 LEU HB3 1 19 LEU MD1 . . 3.580 2.224 2.117 2.342 . 0 0 "[ . 1 . 2]" 1 73 1 19 LEU HB3 1 20 TYR H . . 4.380 4.153 3.849 4.284 . 0 0 "[ . 1 . 2]" 1 74 1 19 LEU HB3 1 20 TYR QE . . 5.410 5.116 4.803 5.406 . 0 0 "[ . 1 . 2]" 1 75 1 19 LEU HB3 1 66 ALA MB . . 5.070 2.689 2.396 2.886 . 0 0 "[ . 1 . 2]" 1 76 1 19 LEU HB3 1 70 LEU MD1 . . 4.640 2.155 1.987 2.410 . 0 0 "[ . 1 . 2]" 1 77 1 19 LEU HB3 1 70 LEU MD2 . . 4.750 3.759 3.405 4.245 . 0 0 "[ . 1 . 2]" 1 78 1 19 LEU MD1 1 20 TYR QD . . 5.050 4.655 4.497 4.774 . 0 0 "[ . 1 . 2]" 1 79 1 19 LEU MD1 1 20 TYR QE . . 4.020 3.905 3.701 4.020 0.000 7 0 "[ . 1 . 2]" 1 80 1 19 LEU MD1 1 22 LEU MD1 . . 5.170 4.975 4.805 5.140 . 0 0 "[ . 1 . 2]" 1 81 1 19 LEU MD1 1 66 ALA H . . 5.350 4.866 4.595 5.303 . 0 0 "[ . 1 . 2]" 1 82 1 19 LEU MD1 1 66 ALA HA . . 3.640 2.885 2.597 3.292 . 0 0 "[ . 1 . 2]" 1 83 1 19 LEU MD1 1 66 ALA MB . . 4.110 3.947 3.785 4.104 . 0 0 "[ . 1 . 2]" 1 84 1 19 LEU MD1 1 69 VAL H . . 4.590 3.547 3.213 3.917 . 0 0 "[ . 1 . 2]" 1 85 1 19 LEU MD1 1 69 VAL HB . . 4.070 2.038 1.897 2.201 . 0 0 "[ . 1 . 2]" 1 86 1 19 LEU MD1 1 69 VAL MG1 . . 3.350 2.518 2.067 2.899 . 0 0 "[ . 1 . 2]" 1 87 1 19 LEU MD1 1 69 VAL MG2 . . 3.290 2.331 2.039 2.583 . 0 0 "[ . 1 . 2]" 1 88 1 19 LEU MD1 1 70 LEU H . . 4.560 3.755 3.455 4.106 . 0 0 "[ . 1 . 2]" 1 89 1 19 LEU MD1 1 70 LEU MD2 . . 3.770 2.885 2.199 3.536 . 0 0 "[ . 1 . 2]" 1 90 1 19 LEU MD1 1 79 TYR QD . . 5.480 4.559 3.516 5.044 . 0 0 "[ . 1 . 2]" 1 91 1 19 LEU MD1 1 84 LEU MD2 . . 4.480 4.160 3.587 4.477 . 0 0 "[ . 1 . 2]" 1 92 1 19 LEU MD1 1 89 LEU MD2 . . 4.230 3.743 3.323 4.189 . 0 0 "[ . 1 . 2]" 1 93 1 19 LEU MD2 1 20 TYR H . . 4.920 4.280 4.165 4.436 . 0 0 "[ . 1 . 2]" 1 94 1 19 LEU MD2 1 20 TYR QD . . 4.970 4.907 4.636 4.970 0.000 6 0 "[ . 1 . 2]" 1 95 1 19 LEU MD2 1 20 TYR QE . . 5.460 5.249 5.019 5.408 . 0 0 "[ . 1 . 2]" 1 96 1 19 LEU MD2 1 22 LEU HB2 . . 4.750 4.506 4.296 4.726 . 0 0 "[ . 1 . 2]" 1 97 1 19 LEU MD2 1 22 LEU MD1 . . 3.160 2.902 2.716 3.071 . 0 0 "[ . 1 . 2]" 1 98 1 19 LEU MD2 1 22 LEU MD2 . . 4.000 3.735 3.503 3.956 . 0 0 "[ . 1 . 2]" 1 99 1 19 LEU MD2 1 66 ALA H . . 4.590 3.896 3.387 4.317 . 0 0 "[ . 1 . 2]" 1 100 1 19 LEU MD2 1 66 ALA HA . . 3.470 2.927 2.329 3.174 . 0 0 "[ . 1 . 2]" 1 101 1 19 LEU MD2 1 66 ALA MB . . 3.320 3.171 2.749 3.321 0.001 2 0 "[ . 1 . 2]" 1 102 1 19 LEU MD2 1 70 LEU MD1 . . 4.350 4.058 3.959 4.256 . 0 0 "[ . 1 . 2]" 1 103 1 19 LEU MD2 1 89 LEU MD2 . . 4.650 4.373 3.731 4.637 . 0 0 "[ . 1 . 2]" 1 104 1 19 LEU HG 1 20 TYR H . . 4.880 4.063 3.636 4.254 . 0 0 "[ . 1 . 2]" 1 105 1 19 LEU HG 1 20 TYR QE . . 4.280 3.969 3.642 4.177 . 0 0 "[ . 1 . 2]" 1 106 1 20 TYR H 1 20 TYR HB2 . . 3.920 2.560 2.495 2.690 . 0 0 "[ . 1 . 2]" 1 107 1 20 TYR H 1 20 TYR QB . . 3.410 2.511 2.454 2.617 . 0 0 "[ . 1 . 2]" 1 108 1 20 TYR H 1 20 TYR HB3 . . 3.920 3.643 3.583 3.678 . 0 0 "[ . 1 . 2]" 1 109 1 20 TYR H 1 20 TYR QD . . 3.750 1.930 1.899 2.002 . 0 0 "[ . 1 . 2]" 1 110 1 20 TYR H 1 21 ASP H . . 3.660 2.340 2.147 2.713 . 0 0 "[ . 1 . 2]" 1 111 1 20 TYR H 1 21 ASP QB . . 4.550 4.078 3.928 4.342 . 0 0 "[ . 1 . 2]" 1 112 1 20 TYR H 1 22 LEU H . . 4.520 3.891 3.695 4.390 . 0 0 "[ . 1 . 2]" 1 113 1 20 TYR H 1 66 ALA MB . . 5.490 4.758 4.434 4.947 . 0 0 "[ . 1 . 2]" 1 114 1 20 TYR H 1 70 LEU MD1 . . 4.390 3.686 3.047 4.084 . 0 0 "[ . 1 . 2]" 1 115 1 20 TYR HA 1 20 TYR QD . . 3.930 3.166 3.122 3.208 . 0 0 "[ . 1 . 2]" 1 116 1 20 TYR HA 1 23 LEU H . . 4.280 3.728 3.449 4.033 . 0 0 "[ . 1 . 2]" 1 117 1 20 TYR HA 1 23 LEU HB2 . . 4.370 3.460 3.219 3.681 . 0 0 "[ . 1 . 2]" 1 118 1 20 TYR HA 1 23 LEU MD1 . . 4.740 4.308 3.883 4.669 . 0 0 "[ . 1 . 2]" 1 119 1 20 TYR HA 1 23 LEU MD2 . . 4.420 4.227 3.916 4.418 . 0 0 "[ . 1 . 2]" 1 120 1 20 TYR HA 1 25 VAL MG2 . . 3.620 2.674 2.382 2.950 . 0 0 "[ . 1 . 2]" 1 121 1 20 TYR HA 1 70 LEU MD1 . . 3.730 2.874 2.370 3.131 . 0 0 "[ . 1 . 2]" 1 122 1 20 TYR HA 1 70 LEU MD2 . . 4.750 4.474 4.018 4.728 . 0 0 "[ . 1 . 2]" 1 123 1 20 TYR QB 1 21 ASP H . . 3.670 2.672 2.149 3.025 . 0 0 "[ . 1 . 2]" 1 124 1 20 TYR QB 1 25 VAL MG2 . . 3.880 2.837 2.476 3.037 . 0 0 "[ . 1 . 2]" 1 125 1 20 TYR HB2 1 21 ASP H . . 4.250 2.729 2.177 3.116 . 0 0 "[ . 1 . 2]" 1 126 1 20 TYR HB2 1 25 VAL MG2 . . 4.420 4.295 3.990 4.417 . 0 0 "[ . 1 . 2]" 1 127 1 20 TYR HB3 1 21 ASP H . . 4.250 3.832 3.323 4.095 . 0 0 "[ . 1 . 2]" 1 128 1 20 TYR HB3 1 25 VAL MG2 . . 4.420 2.879 2.500 3.095 . 0 0 "[ . 1 . 2]" 1 129 1 20 TYR QD 1 21 ASP H . . 4.550 3.751 3.420 3.974 . 0 0 "[ . 1 . 2]" 1 130 1 20 TYR QD 1 25 VAL MG2 . . 3.320 2.663 2.133 3.259 . 0 0 "[ . 1 . 2]" 1 131 1 20 TYR QD 1 70 LEU MD1 . . 4.010 3.243 2.873 3.531 . 0 0 "[ . 1 . 2]" 1 132 1 20 TYR QD 1 70 LEU MD2 . . 3.600 3.432 3.079 3.601 0.001 10 0 "[ . 1 . 2]" 1 133 1 20 TYR QE 1 25 VAL MG2 . . 5.500 4.261 3.639 4.708 . 0 0 "[ . 1 . 2]" 1 134 1 20 TYR QE 1 70 LEU MD2 . . 3.970 2.475 2.248 2.722 . 0 0 "[ . 1 . 2]" 1 135 1 21 ASP H 1 21 ASP QB . . 3.580 2.218 2.138 2.306 . 0 0 "[ . 1 . 2]" 1 136 1 21 ASP H 1 22 LEU H . . 3.550 2.572 2.304 2.933 . 0 0 "[ . 1 . 2]" 1 137 1 21 ASP H 1 23 LEU H . . 5.130 4.272 3.930 4.524 . 0 0 "[ . 1 . 2]" 1 138 1 21 ASP HA 1 23 LEU H . . 4.590 4.291 3.918 4.540 . 0 0 "[ . 1 . 2]" 1 139 1 21 ASP HA 1 24 GLY H . . 3.850 3.449 3.033 3.843 . 0 0 "[ . 1 . 2]" 1 140 1 21 ASP HA 1 24 GLY QA . . 4.620 3.273 2.991 3.554 . 0 0 "[ . 1 . 2]" 1 141 1 21 ASP HA 1 25 VAL H . . 4.780 4.349 3.670 4.739 . 0 0 "[ . 1 . 2]" 1 142 1 21 ASP QB 1 22 LEU H . . 3.570 2.736 2.493 2.996 . 0 0 "[ . 1 . 2]" 1 143 1 22 LEU H 1 22 LEU HB2 . . 3.230 2.270 2.177 2.441 . 0 0 "[ . 1 . 2]" 1 144 1 22 LEU H 1 22 LEU HB3 . . 3.670 3.535 3.490 3.592 . 0 0 "[ . 1 . 2]" 1 145 1 22 LEU H 1 22 LEU MD1 . . 3.730 2.232 1.998 2.447 . 0 0 "[ . 1 . 2]" 1 146 1 22 LEU H 1 22 LEU MD2 . . 4.400 4.129 4.013 4.205 . 0 0 "[ . 1 . 2]" 1 147 1 22 LEU H 1 22 LEU HG . . 3.660 3.482 3.145 3.656 . 0 0 "[ . 1 . 2]" 1 148 1 22 LEU H 1 23 LEU H . . 3.470 2.784 2.524 3.062 . 0 0 "[ . 1 . 2]" 1 149 1 22 LEU H 1 23 LEU MD1 . . 4.540 4.157 3.908 4.488 . 0 0 "[ . 1 . 2]" 1 150 1 22 LEU HA 1 22 LEU MD1 . . 3.510 3.109 3.013 3.274 . 0 0 "[ . 1 . 2]" 1 151 1 22 LEU HA 1 22 LEU MD2 . . 3.920 3.554 3.526 3.619 . 0 0 "[ . 1 . 2]" 1 152 1 22 LEU HB2 1 22 LEU MD1 . . 3.180 2.088 1.997 2.143 . 0 0 "[ . 1 . 2]" 1 153 1 22 LEU HB2 1 22 LEU MD2 . . 3.420 2.663 2.571 2.708 . 0 0 "[ . 1 . 2]" 1 154 1 22 LEU HB2 1 23 LEU H . . 4.140 2.706 2.417 2.993 . 0 0 "[ . 1 . 2]" 1 155 1 22 LEU HB2 1 23 LEU MD1 . . 4.380 2.811 2.676 2.965 . 0 0 "[ . 1 . 2]" 1 156 1 22 LEU HB3 1 22 LEU MD2 . . 3.140 2.085 1.976 2.212 . 0 0 "[ . 1 . 2]" 1 157 1 22 LEU HB3 1 23 LEU H . . 3.820 3.323 3.101 3.576 . 0 0 "[ . 1 . 2]" 1 158 1 22 LEU HB3 1 63 ILE HA . . 4.530 3.015 2.709 3.346 . 0 0 "[ . 1 . 2]" 1 159 1 22 LEU HB3 1 63 ILE MG . . 3.960 3.753 3.488 3.959 . 0 0 "[ . 1 . 2]" 1 160 1 22 LEU MD1 1 23 LEU H . . 4.270 4.097 3.768 4.252 . 0 0 "[ . 1 . 2]" 1 161 1 22 LEU MD1 1 62 ARG QB . . 3.860 3.655 3.257 3.860 . 0 0 "[ . 1 . 2]" 1 162 1 22 LEU MD1 1 62 ARG QD . . 4.150 3.699 3.318 4.120 . 0 0 "[ . 1 . 2]" 1 163 1 22 LEU MD1 1 63 ILE HA . . 4.690 4.567 4.380 4.687 . 0 0 "[ . 1 . 2]" 1 164 1 22 LEU MD1 1 66 ALA MB . . 3.200 3.123 2.928 3.198 . 0 0 "[ . 1 . 2]" 1 165 1 22 LEU MD2 1 62 ARG H . . 4.780 4.548 4.191 4.708 . 0 0 "[ . 1 . 2]" 1 166 1 22 LEU MD2 1 62 ARG HA . . 4.260 3.823 3.571 4.038 . 0 0 "[ . 1 . 2]" 1 167 1 22 LEU MD2 1 62 ARG HB2 . . 3.790 2.944 2.401 3.219 . 0 0 "[ . 1 . 2]" 1 168 1 22 LEU MD2 1 62 ARG HB3 . . 3.790 1.983 1.813 2.170 . 0 0 "[ . 1 . 2]" 1 169 1 22 LEU MD2 1 62 ARG QD . . 3.560 2.877 2.243 3.251 . 0 0 "[ . 1 . 2]" 1 170 1 22 LEU MD2 1 62 ARG QG . . 4.230 3.693 3.457 3.859 . 0 0 "[ . 1 . 2]" 1 171 1 22 LEU MD2 1 63 ILE H . . 4.200 3.060 2.853 3.252 . 0 0 "[ . 1 . 2]" 1 172 1 22 LEU MD2 1 63 ILE HA . . 3.620 2.126 1.924 2.394 . 0 0 "[ . 1 . 2]" 1 173 1 22 LEU MD2 1 65 GLN HB2 . . 4.590 4.006 3.637 4.221 . 0 0 "[ . 1 . 2]" 1 174 1 22 LEU MD2 1 65 GLN QG . . 4.850 4.657 4.213 4.810 . 0 0 "[ . 1 . 2]" 1 175 1 22 LEU MD2 1 66 ALA H . . 4.420 3.584 3.276 3.751 . 0 0 "[ . 1 . 2]" 1 176 1 22 LEU MD2 1 66 ALA HA . . 5.240 4.743 4.491 4.988 . 0 0 "[ . 1 . 2]" 1 177 1 22 LEU HG 1 23 LEU H . . 5.500 4.958 4.830 5.070 . 0 0 "[ . 1 . 2]" 1 178 1 23 LEU H 1 23 LEU HB2 . . 3.180 2.197 2.162 2.270 . 0 0 "[ . 1 . 2]" 1 179 1 23 LEU H 1 23 LEU HB3 . . 3.550 3.489 3.473 3.525 . 0 0 "[ . 1 . 2]" 1 180 1 23 LEU H 1 23 LEU MD1 . . 3.600 2.365 2.092 2.647 . 0 0 "[ . 1 . 2]" 1 181 1 23 LEU H 1 23 LEU MD2 . . 4.310 3.955 3.759 4.204 . 0 0 "[ . 1 . 2]" 1 182 1 23 LEU H 1 23 LEU HG . . 4.270 4.188 4.107 4.270 . 5 0 "[ . 1 . 2]" 1 183 1 23 LEU H 1 24 GLY H . . 3.270 2.431 2.164 2.750 . 0 0 "[ . 1 . 2]" 1 184 1 23 LEU H 1 24 GLY QA . . 5.340 4.261 4.088 4.412 . 0 0 "[ . 1 . 2]" 1 185 1 23 LEU H 1 25 VAL H . . 4.370 4.034 3.552 4.264 . 0 0 "[ . 1 . 2]" 1 186 1 23 LEU HA 1 23 LEU MD1 . . 3.210 2.484 2.271 2.654 . 0 0 "[ . 1 . 2]" 1 187 1 23 LEU HA 1 23 LEU MD2 . . 4.270 3.795 3.753 3.818 . 0 0 "[ . 1 . 2]" 1 188 1 23 LEU HA 1 23 LEU HG . . 4.220 2.516 2.416 2.606 . 0 0 "[ . 1 . 2]" 1 189 1 23 LEU HA 1 41 GLN QE . . 4.550 3.053 2.607 3.637 . 0 0 "[ . 1 . 2]" 1 190 1 23 LEU HA 1 41 GLN HG2 . . 4.270 3.388 3.022 3.908 . 0 0 "[ . 1 . 2]" 1 191 1 23 LEU HA 1 41 GLN QG . . 3.680 2.937 2.294 3.451 . 0 0 "[ . 1 . 2]" 1 192 1 23 LEU HA 1 41 GLN HG3 . . 4.270 3.290 2.341 4.204 . 0 0 "[ . 1 . 2]" 1 193 1 23 LEU HB2 1 23 LEU MD1 . . 3.460 2.326 2.210 2.426 . 0 0 "[ . 1 . 2]" 1 194 1 23 LEU HB2 1 23 LEU MD2 . . 3.500 2.348 2.258 2.442 . 0 0 "[ . 1 . 2]" 1 195 1 23 LEU HB2 1 24 GLY H . . 4.030 2.739 2.415 3.347 . 0 0 "[ . 1 . 2]" 1 196 1 23 LEU HB2 1 25 VAL H . . 4.100 3.315 3.040 3.738 . 0 0 "[ . 1 . 2]" 1 197 1 23 LEU HB2 1 25 VAL MG2 . . 3.380 2.796 2.432 3.073 . 0 0 "[ . 1 . 2]" 1 198 1 23 LEU HB2 1 70 LEU MD1 . . 4.250 4.117 3.794 4.249 . 0 0 "[ . 1 . 2]" 1 199 1 23 LEU HB3 1 23 LEU MD1 . . 3.330 3.187 3.179 3.194 . 0 0 "[ . 1 . 2]" 1 200 1 23 LEU HB3 1 23 LEU MD2 . . 3.460 2.351 2.233 2.445 . 0 0 "[ . 1 . 2]" 1 201 1 23 LEU HB3 1 24 GLY H . . 4.370 3.203 2.779 3.847 . 0 0 "[ . 1 . 2]" 1 202 1 23 LEU HB3 1 25 VAL H . . 4.270 3.478 3.101 4.032 . 0 0 "[ . 1 . 2]" 1 203 1 23 LEU HB3 1 25 VAL MG2 . . 3.710 3.054 2.618 3.372 . 0 0 "[ . 1 . 2]" 1 204 1 23 LEU HB3 1 41 GLN QE . . 4.680 4.525 4.248 4.681 0.001 9 0 "[ . 1 . 2]" 1 205 1 23 LEU MD1 1 24 GLY H . . 4.540 4.124 4.049 4.196 . 0 0 "[ . 1 . 2]" 1 206 1 23 LEU MD1 1 38 TYR H . . 4.750 4.295 3.894 4.702 . 0 0 "[ . 1 . 2]" 1 207 1 23 LEU MD1 1 38 TYR HA . . 3.490 3.225 2.833 3.485 . 0 0 "[ . 1 . 2]" 1 208 1 23 LEU MD1 1 38 TYR HB2 . . 3.870 3.388 2.982 3.768 . 0 0 "[ . 1 . 2]" 1 209 1 23 LEU MD1 1 38 TYR QD . . 3.900 3.311 2.697 3.658 . 0 0 "[ . 1 . 2]" 1 210 1 23 LEU MD1 1 41 GLN HG2 . . 4.360 3.738 2.895 4.243 . 0 0 "[ . 1 . 2]" 1 211 1 23 LEU MD1 1 41 GLN HG3 . . 4.360 3.298 2.429 4.351 . 0 0 "[ . 1 . 2]" 1 212 1 23 LEU MD1 1 63 ILE HA . . 4.200 3.409 3.217 3.608 . 0 0 "[ . 1 . 2]" 1 213 1 23 LEU MD1 1 66 ALA H . . 4.240 4.075 3.904 4.239 . 0 0 "[ . 1 . 2]" 1 214 1 23 LEU MD1 1 66 ALA HA . . 4.450 4.105 3.899 4.318 . 0 0 "[ . 1 . 2]" 1 215 1 23 LEU MD1 1 66 ALA MB . . 3.240 1.818 1.678 1.909 . 0 0 "[ . 1 . 2]" 1 216 1 23 LEU MD1 1 67 TYR H . . 3.900 3.722 3.360 3.896 . 0 0 "[ . 1 . 2]" 1 217 1 23 LEU MD1 1 67 TYR HA . . 5.280 4.180 3.548 4.538 . 0 0 "[ . 1 . 2]" 1 218 1 23 LEU MD1 1 67 TYR QB . . 4.700 3.585 3.205 3.943 . 0 0 "[ . 1 . 2]" 1 219 1 23 LEU MD1 1 67 TYR QD . . 4.460 4.358 4.006 4.459 . 0 0 "[ . 1 . 2]" 1 220 1 23 LEU MD1 1 70 LEU MD1 . . 4.260 3.671 3.300 4.016 . 0 0 "[ . 1 . 2]" 1 221 1 23 LEU MD2 1 24 GLY H . . 5.150 4.589 4.232 5.137 . 0 0 "[ . 1 . 2]" 1 222 1 23 LEU MD2 1 34 ILE HA . . 4.460 2.625 2.185 2.956 . 0 0 "[ . 1 . 2]" 1 223 1 23 LEU MD2 1 37 ALA H . . 5.410 4.018 3.800 4.226 . 0 0 "[ . 1 . 2]" 1 224 1 23 LEU MD2 1 38 TYR H . . 4.010 2.576 2.305 2.963 . 0 0 "[ . 1 . 2]" 1 225 1 23 LEU MD2 1 38 TYR HA . . 4.050 3.245 2.961 3.702 . 0 0 "[ . 1 . 2]" 1 226 1 23 LEU MD2 1 38 TYR HB2 . . 3.990 2.275 2.004 2.440 . 0 0 "[ . 1 . 2]" 1 227 1 23 LEU MD2 1 38 TYR QD . . 4.710 3.707 3.210 4.076 . 0 0 "[ . 1 . 2]" 1 228 1 23 LEU MD2 1 39 TYR H . . 5.060 4.902 4.704 5.040 . 0 0 "[ . 1 . 2]" 1 229 1 23 LEU MD2 1 66 ALA MB . . 3.610 2.872 2.572 3.204 . 0 0 "[ . 1 . 2]" 1 230 1 23 LEU MD2 1 67 TYR H . . 4.640 4.416 4.205 4.635 . 0 0 "[ . 1 . 2]" 1 231 1 23 LEU MD2 1 67 TYR HA . . 3.900 3.493 3.009 3.785 . 0 0 "[ . 1 . 2]" 1 232 1 23 LEU MD2 1 67 TYR QB . . 5.080 3.521 3.050 3.971 . 0 0 "[ . 1 . 2]" 1 233 1 23 LEU MD2 1 67 TYR QD . . 4.160 2.969 2.773 3.146 . 0 0 "[ . 1 . 2]" 1 234 1 23 LEU MD2 1 70 LEU MD1 . . 3.190 2.974 2.634 3.136 . 0 0 "[ . 1 . 2]" 1 235 1 23 LEU HG 1 66 ALA MB . . 4.310 4.134 3.948 4.276 . 0 0 "[ . 1 . 2]" 1 236 1 24 GLY H 1 25 VAL H . . 3.150 2.068 1.800 2.491 . 0 0 "[ . 1 . 2]" 1 237 1 24 GLY H 1 25 VAL MG1 . . 4.380 3.832 3.527 4.214 . 0 0 "[ . 1 . 2]" 1 238 1 24 GLY H 1 25 VAL MG2 . . 4.210 3.348 3.002 3.734 . 0 0 "[ . 1 . 2]" 1 239 1 24 GLY QA 1 25 VAL MG1 . . 4.720 3.761 3.516 3.927 . 0 0 "[ . 1 . 2]" 1 240 1 25 VAL H 1 25 VAL MG1 . . 3.510 2.699 2.398 3.115 . 0 0 "[ . 1 . 2]" 1 241 1 25 VAL H 1 25 VAL MG2 . . 3.040 2.054 1.886 2.375 . 0 0 "[ . 1 . 2]" 1 242 1 25 VAL H 1 26 PRO HD2 . . 4.900 4.821 4.806 4.832 . 0 0 "[ . 1 . 2]" 1 243 1 25 VAL HA 1 25 VAL MG1 . . 3.380 2.343 2.223 2.451 . 0 0 "[ . 1 . 2]" 1 244 1 25 VAL HA 1 26 PRO HD2 . . 3.670 2.340 2.289 2.373 . 0 0 "[ . 1 . 2]" 1 245 1 25 VAL HA 1 26 PRO HD3 . . 3.520 2.279 2.265 2.290 . 0 0 "[ . 1 . 2]" 1 246 1 25 VAL HA 1 26 PRO HG2 . . 4.690 4.464 4.423 4.491 . 0 0 "[ . 1 . 2]" 1 247 1 25 VAL HA 1 26 PRO QG . . 4.090 3.965 3.934 3.985 . 0 0 "[ . 1 . 2]" 1 248 1 25 VAL HA 1 26 PRO HG3 . . 4.690 4.437 4.409 4.456 . 0 0 "[ . 1 . 2]" 1 249 1 25 VAL HA 1 29 ALA MB . . 4.270 3.570 3.358 3.808 . 0 0 "[ . 1 . 2]" 1 250 1 25 VAL HB 1 26 PRO HD2 . . 3.740 2.065 2.001 2.217 . 0 0 "[ . 1 . 2]" 1 251 1 25 VAL HB 1 26 PRO HD3 . . 3.930 3.505 3.443 3.637 . 0 0 "[ . 1 . 2]" 1 252 1 25 VAL HB 1 29 ALA MB . . 3.330 1.943 1.833 2.238 . 0 0 "[ . 1 . 2]" 1 253 1 25 VAL HB 1 34 ILE HG13 . . 4.420 3.862 3.613 4.205 . 0 0 "[ . 1 . 2]" 1 254 1 25 VAL MG1 1 26 PRO HD2 . . 4.180 3.140 2.966 3.322 . 0 0 "[ . 1 . 2]" 1 255 1 25 VAL MG1 1 26 PRO HD3 . . 4.220 3.891 3.761 4.099 . 0 0 "[ . 1 . 2]" 1 256 1 25 VAL MG1 1 29 ALA MB . . 3.340 2.916 2.769 3.161 . 0 0 "[ . 1 . 2]" 1 257 1 25 VAL MG1 1 33 GLN H . . 5.500 4.845 4.446 5.214 . 0 0 "[ . 1 . 2]" 1 258 1 25 VAL MG1 1 33 GLN HB2 . . 4.470 3.152 2.774 3.484 . 0 0 "[ . 1 . 2]" 1 259 1 25 VAL MG1 1 33 GLN QB . . 3.860 2.157 1.876 2.469 . 0 0 "[ . 1 . 2]" 1 260 1 25 VAL MG1 1 33 GLN HB3 . . 4.470 2.198 1.908 2.577 . 0 0 "[ . 1 . 2]" 1 261 1 25 VAL MG1 1 34 ILE H . . 3.850 3.194 2.685 3.789 . 0 0 "[ . 1 . 2]" 1 262 1 25 VAL MG1 1 34 ILE HA . . 3.500 2.326 1.987 3.126 . 0 0 "[ . 1 . 2]" 1 263 1 25 VAL MG1 1 37 ALA H . . 4.110 3.820 3.501 4.108 . 0 0 "[ . 1 . 2]" 1 264 1 25 VAL MG1 1 37 ALA HA . . 4.470 4.376 4.077 4.470 . 14 0 "[ . 1 . 2]" 1 265 1 25 VAL MG1 1 37 ALA MB . . 2.800 2.218 1.960 2.372 . 0 0 "[ . 1 . 2]" 1 266 1 25 VAL MG2 1 26 PRO HD2 . . 4.400 3.601 3.445 3.795 . 0 0 "[ . 1 . 2]" 1 267 1 25 VAL MG2 1 29 ALA H . . 4.630 4.277 4.000 4.615 . 0 0 "[ . 1 . 2]" 1 268 1 25 VAL MG2 1 29 ALA MB . . 3.200 2.584 2.093 2.927 . 0 0 "[ . 1 . 2]" 1 269 1 25 VAL MG2 1 34 ILE H . . 4.470 4.067 3.686 4.389 . 0 0 "[ . 1 . 2]" 1 270 1 25 VAL MG2 1 34 ILE HA . . 3.640 2.759 2.304 3.172 . 0 0 "[ . 1 . 2]" 1 271 1 25 VAL MG2 1 37 ALA MB . . 4.070 3.508 2.937 3.819 . 0 0 "[ . 1 . 2]" 1 272 1 25 VAL MG2 1 70 LEU MD1 . . 4.150 3.286 2.990 3.724 . 0 0 "[ . 1 . 2]" 1 273 1 26 PRO HA 1 27 SER H . . 2.980 2.407 2.290 2.569 . 0 0 "[ . 1 . 2]" 1 274 1 26 PRO HA 1 29 ALA H . . 5.140 4.775 4.555 5.022 . 0 0 "[ . 1 . 2]" 1 275 1 26 PRO HB2 1 27 SER H . . 3.650 2.604 2.220 2.914 . 0 0 "[ . 1 . 2]" 1 276 1 26 PRO HB2 1 28 THR H . . 3.230 2.193 2.132 2.248 . 0 0 "[ . 1 . 2]" 1 277 1 26 PRO HB2 1 29 ALA H . . 3.830 3.534 3.339 3.660 . 0 0 "[ . 1 . 2]" 1 278 1 26 PRO HB3 1 27 SER H . . 3.740 3.452 3.269 3.615 . 0 0 "[ . 1 . 2]" 1 279 1 26 PRO HB3 1 28 THR H . . 4.020 3.922 3.832 4.000 . 0 0 "[ . 1 . 2]" 1 280 1 26 PRO HB3 1 29 ALA H . . 5.050 4.938 4.732 5.050 . 15 0 "[ . 1 . 2]" 1 281 1 26 PRO HD2 1 29 ALA H . . 4.620 4.031 3.869 4.224 . 0 0 "[ . 1 . 2]" 1 282 1 26 PRO HD2 1 29 ALA MB . . 3.550 2.039 1.825 2.347 . 0 0 "[ . 1 . 2]" 1 283 1 26 PRO HD3 1 29 ALA MB . . 4.000 3.495 3.267 3.850 . 0 0 "[ . 1 . 2]" 1 284 1 26 PRO QG 1 29 ALA H . . 4.090 2.689 2.532 2.832 . 0 0 "[ . 1 . 2]" 1 285 1 26 PRO QG 1 29 ALA HA . . 4.430 2.417 2.003 3.434 . 0 0 "[ . 1 . 2]" 1 286 1 26 PRO QG 1 29 ALA MB . . 3.550 2.302 2.003 2.663 . 0 0 "[ . 1 . 2]" 1 287 1 26 PRO HG2 1 28 THR H . . 4.460 3.206 2.766 3.316 . 0 0 "[ . 1 . 2]" 1 288 1 26 PRO HG2 1 29 ALA H . . 4.690 2.712 2.550 2.858 . 0 0 "[ . 1 . 2]" 1 289 1 26 PRO HG3 1 28 THR H . . 4.460 4.383 4.127 4.458 . 0 0 "[ . 1 . 2]" 1 290 1 26 PRO HG3 1 29 ALA H . . 4.690 4.461 4.299 4.607 . 0 0 "[ . 1 . 2]" 1 291 1 27 SER H 1 27 SER HB2 . . 3.690 2.934 2.189 3.604 . 0 0 "[ . 1 . 2]" 1 292 1 27 SER H 1 27 SER QB . . 3.180 2.365 2.168 2.743 . 0 0 "[ . 1 . 2]" 1 293 1 27 SER H 1 27 SER HB3 . . 3.690 2.707 2.400 3.589 . 0 0 "[ . 1 . 2]" 1 294 1 27 SER H 1 28 THR H . . 3.590 2.576 2.394 2.682 . 0 0 "[ . 1 . 2]" 1 295 1 27 SER H 1 29 ALA H . . 4.730 4.252 4.098 4.439 . 0 0 "[ . 1 . 2]" 1 296 1 27 SER HA 1 29 ALA H . . 4.190 3.820 3.700 3.955 . 0 0 "[ . 1 . 2]" 1 297 1 27 SER HB2 1 28 THR H . . 4.640 4.019 3.059 4.457 . 0 0 "[ . 1 . 2]" 1 298 1 27 SER HB3 1 28 THR H . . 4.640 3.732 3.096 4.356 . 0 0 "[ . 1 . 2]" 1 299 1 28 THR H 1 28 THR HB . . 3.780 3.313 2.847 3.784 0.004 15 0 "[ . 1 . 2]" 1 300 1 28 THR H 1 28 THR MG . . 3.240 2.365 2.065 2.800 . 0 0 "[ . 1 . 2]" 1 301 1 28 THR H 1 29 ALA H . . 3.260 2.438 1.998 2.603 . 0 0 "[ . 1 . 2]" 1 302 1 28 THR H 1 29 ALA MB . . 4.140 3.888 3.660 4.004 . 0 0 "[ . 1 . 2]" 1 303 1 28 THR HA 1 28 THR MG . . 3.240 2.901 2.341 3.207 . 0 0 "[ . 1 . 2]" 1 304 1 28 THR HA 1 29 ALA MB . . 5.160 4.630 4.512 4.837 . 0 0 "[ . 1 . 2]" 1 305 1 28 THR HB 1 29 ALA H . . 5.400 4.484 4.166 4.608 . 0 0 "[ . 1 . 2]" 1 306 1 28 THR MG 1 29 ALA H . . 4.240 3.687 2.648 4.248 0.008 17 0 "[ . 1 . 2]" 1 307 1 29 ALA H 1 29 ALA MB . . 2.940 2.130 2.038 2.187 . 0 0 "[ . 1 . 2]" 1 308 1 29 ALA H 1 30 THR H . . 4.680 4.586 4.524 4.642 . 0 0 "[ . 1 . 2]" 1 309 1 29 ALA H 1 34 ILE MD . . 4.630 4.470 4.184 4.630 0.000 12 0 "[ . 1 . 2]" 1 310 1 29 ALA HA 1 30 THR H . . 3.060 2.541 2.349 2.648 . 0 0 "[ . 1 . 2]" 1 311 1 29 ALA HA 1 30 THR MG . . 3.970 3.586 3.209 3.910 . 0 0 "[ . 1 . 2]" 1 312 1 29 ALA HA 1 33 GLN QE . . 4.830 2.960 1.911 4.639 . 0 0 "[ . 1 . 2]" 1 313 1 29 ALA MB 1 30 THR H . . 3.430 2.292 2.134 2.590 . 0 0 "[ . 1 . 2]" 1 314 1 29 ALA MB 1 33 GLN H . . 4.520 4.300 3.999 4.478 . 0 0 "[ . 1 . 2]" 1 315 1 29 ALA MB 1 33 GLN HA . . 5.500 4.890 4.569 5.189 . 0 0 "[ . 1 . 2]" 1 316 1 29 ALA MB 1 33 GLN HB2 . . 3.820 2.402 1.999 2.708 . 0 0 "[ . 1 . 2]" 1 317 1 29 ALA MB 1 33 GLN QB . . 3.260 2.305 1.959 2.574 . 0 0 "[ . 1 . 2]" 1 318 1 29 ALA MB 1 33 GLN HB3 . . 3.820 2.989 2.632 3.448 . 0 0 "[ . 1 . 2]" 1 319 1 29 ALA MB 1 33 GLN HE21 . . 4.620 3.136 1.980 4.417 . 0 0 "[ . 1 . 2]" 1 320 1 29 ALA MB 1 33 GLN HE22 . . 4.620 3.324 2.391 4.601 . 0 0 "[ . 1 . 2]" 1 321 1 29 ALA MB 1 34 ILE H . . 4.130 3.167 2.727 3.413 . 0 0 "[ . 1 . 2]" 1 322 1 29 ALA MB 1 34 ILE HA . . 4.510 4.051 3.727 4.229 . 0 0 "[ . 1 . 2]" 1 323 1 29 ALA MB 1 34 ILE MD . . 3.430 2.835 2.480 3.306 . 0 0 "[ . 1 . 2]" 1 324 1 29 ALA MB 1 34 ILE HG12 . . 4.500 3.043 2.649 3.367 . 0 0 "[ . 1 . 2]" 1 325 1 29 ALA MB 1 34 ILE HG13 . . 3.300 2.311 2.065 2.545 . 0 0 "[ . 1 . 2]" 1 326 1 29 ALA MB 1 34 ILE MG . . 4.680 4.485 4.257 4.679 . 0 0 "[ . 1 . 2]" 1 327 1 30 THR H 1 30 THR MG . . 3.220 2.287 1.883 2.986 . 0 0 "[ . 1 . 2]" 1 328 1 30 THR H 1 31 GLN HA . . 5.500 5.362 5.253 5.470 . 0 0 "[ . 1 . 2]" 1 329 1 30 THR H 1 33 GLN H . . 4.210 3.326 3.123 3.548 . 0 0 "[ . 1 . 2]" 1 330 1 30 THR H 1 33 GLN HA . . 5.500 5.113 4.912 5.269 . 0 0 "[ . 1 . 2]" 1 331 1 30 THR H 1 33 GLN HB2 . . 4.140 2.322 2.097 2.586 . 0 0 "[ . 1 . 2]" 1 332 1 30 THR H 1 33 GLN QB . . 3.380 2.304 2.085 2.561 . 0 0 "[ . 1 . 2]" 1 333 1 30 THR H 1 33 GLN HB3 . . 4.140 3.878 3.605 4.139 . 0 0 "[ . 1 . 2]" 1 334 1 30 THR H 1 33 GLN QG . . 4.540 2.991 2.546 3.443 . 0 0 "[ . 1 . 2]" 1 335 1 30 THR H 1 34 ILE MD . . 4.670 4.221 3.857 4.581 . 0 0 "[ . 1 . 2]" 1 336 1 30 THR HA 1 30 THR MG . . 3.300 2.886 2.244 3.207 . 0 0 "[ . 1 . 2]" 1 337 1 30 THR HG1 1 33 GLN H . . 4.760 3.653 1.915 4.748 . 0 0 "[ . 1 . 2]" 1 338 1 30 THR MG 1 31 GLN H . . 4.750 3.646 3.069 3.941 . 0 0 "[ . 1 . 2]" 1 339 1 30 THR MG 1 33 GLN H . . 4.580 2.947 1.893 4.569 . 0 0 "[ . 1 . 2]" 1 340 1 30 THR MG 1 33 GLN QG . . 4.120 2.716 1.863 3.994 . 0 0 "[ . 1 . 2]" 1 341 1 31 GLN H 1 31 GLN QG . . 4.390 3.324 1.973 4.085 . 0 0 "[ . 1 . 2]" 1 342 1 31 GLN HA 1 31 GLN HE21 . . 4.170 3.487 2.007 4.147 . 0 0 "[ . 1 . 2]" 1 343 1 31 GLN HA 1 31 GLN HE22 . . 5.170 4.261 3.049 5.170 0.000 17 0 "[ . 1 . 2]" 1 344 1 31 GLN HA 1 34 ILE H . . 4.100 3.833 3.617 4.033 . 0 0 "[ . 1 . 2]" 1 345 1 31 GLN HA 1 34 ILE HB . . 3.300 2.654 2.353 2.865 . 0 0 "[ . 1 . 2]" 1 346 1 31 GLN HA 1 34 ILE MD . . 3.560 2.945 2.504 3.450 . 0 0 "[ . 1 . 2]" 1 347 1 31 GLN HA 1 34 ILE MG . . 4.320 3.964 3.617 4.224 . 0 0 "[ . 1 . 2]" 1 348 1 31 GLN HA 1 35 LYS H . . 4.360 3.913 3.576 4.239 . 0 0 "[ . 1 . 2]" 1 349 1 31 GLN HB2 1 31 GLN HE21 . . 4.360 3.257 1.927 4.119 . 0 0 "[ . 1 . 2]" 1 350 1 31 GLN HB3 1 31 GLN HE21 . . 4.360 3.218 1.900 4.255 . 0 0 "[ . 1 . 2]" 1 351 1 32 ALA H 1 33 GLN H . . 3.970 2.821 2.531 3.036 . 0 0 "[ . 1 . 2]" 1 352 1 32 ALA HA 1 35 LYS H . . 4.230 4.101 3.953 4.224 . 0 0 "[ . 1 . 2]" 1 353 1 32 ALA HA 1 35 LYS HB2 . . 4.240 4.083 3.720 4.230 . 0 0 "[ . 1 . 2]" 1 354 1 32 ALA HA 1 35 LYS HB3 . . 4.500 3.357 3.047 3.686 . 0 0 "[ . 1 . 2]" 1 355 1 32 ALA HA 1 35 LYS QD . . 4.230 3.902 3.563 4.212 . 0 0 "[ . 1 . 2]" 1 356 1 32 ALA MB 1 33 GLN H . . 3.460 2.589 2.375 2.789 . 0 0 "[ . 1 . 2]" 1 357 1 32 ALA MB 1 33 GLN QG . . 4.070 3.139 2.879 3.359 . 0 0 "[ . 1 . 2]" 1 358 1 33 GLN H 1 33 GLN QB . . 3.490 2.378 2.286 2.479 . 0 0 "[ . 1 . 2]" 1 359 1 33 GLN H 1 33 GLN QE . . 4.800 4.278 3.666 4.800 0.000 12 0 "[ . 1 . 2]" 1 360 1 33 GLN H 1 33 GLN QG . . 3.250 2.432 2.282 2.682 . 0 0 "[ . 1 . 2]" 1 361 1 33 GLN H 1 34 ILE H . . 3.640 2.765 2.539 2.923 . 0 0 "[ . 1 . 2]" 1 362 1 33 GLN H 1 34 ILE HB . . 4.780 4.680 4.505 4.778 . 0 0 "[ . 1 . 2]" 1 363 1 33 GLN H 1 34 ILE MD . . 5.500 5.090 4.677 5.443 . 0 0 "[ . 1 . 2]" 1 364 1 33 GLN H 1 34 ILE HG13 . . 4.690 4.437 4.074 4.682 . 0 0 "[ . 1 . 2]" 1 365 1 33 GLN HA 1 33 GLN QG . . 3.460 2.371 2.221 2.658 . 0 0 "[ . 1 . 2]" 1 366 1 33 GLN HA 1 35 LYS H . . 4.820 3.921 3.711 4.137 . 0 0 "[ . 1 . 2]" 1 367 1 33 GLN HA 1 36 ALA MB . . 3.420 2.552 2.376 2.828 . 0 0 "[ . 1 . 2]" 1 368 1 33 GLN QB 1 34 ILE H . . 3.890 2.132 2.019 2.276 . 0 0 "[ . 1 . 2]" 1 369 1 33 GLN HB2 1 34 ILE H . . 4.760 2.172 2.056 2.315 . 0 0 "[ . 1 . 2]" 1 370 1 33 GLN HB3 1 34 ILE H . . 4.760 3.110 2.902 3.414 . 0 0 "[ . 1 . 2]" 1 371 1 33 GLN QG 1 34 ILE H . . 3.990 3.934 3.843 3.990 . 0 0 "[ . 1 . 2]" 1 372 1 33 GLN QG 1 35 LYS H . . 5.500 5.332 5.171 5.462 . 0 0 "[ . 1 . 2]" 1 373 1 33 GLN QG 1 36 ALA H . . 5.500 5.346 5.124 5.492 . 0 0 "[ . 1 . 2]" 1 374 1 33 GLN QG 1 36 ALA MB . . 4.460 4.105 3.934 4.459 . 0 0 "[ . 1 . 2]" 1 375 1 34 ILE H 1 34 ILE HB . . 3.380 2.614 2.464 2.711 . 0 0 "[ . 1 . 2]" 1 376 1 34 ILE H 1 34 ILE MD . . 3.990 3.451 3.133 3.612 . 0 0 "[ . 1 . 2]" 1 377 1 34 ILE H 1 34 ILE HG12 . . 4.500 3.381 3.144 3.627 . 0 0 "[ . 1 . 2]" 1 378 1 34 ILE H 1 34 ILE HG13 . . 3.730 2.023 1.901 2.261 . 0 0 "[ . 1 . 2]" 1 379 1 34 ILE H 1 34 ILE MG . . 4.000 3.776 3.756 3.788 . 0 0 "[ . 1 . 2]" 1 380 1 34 ILE H 1 35 LYS H . . 3.700 2.901 2.810 2.996 . 0 0 "[ . 1 . 2]" 1 381 1 34 ILE HA 1 34 ILE MD . . 4.310 3.836 3.794 3.876 . 0 0 "[ . 1 . 2]" 1 382 1 34 ILE HA 1 34 ILE HG12 . . 4.040 2.581 2.468 2.807 . 0 0 "[ . 1 . 2]" 1 383 1 34 ILE HA 1 34 ILE HG13 . . 3.780 2.845 2.690 3.037 . 0 0 "[ . 1 . 2]" 1 384 1 34 ILE HA 1 34 ILE MG . . 3.450 2.414 2.330 2.518 . 0 0 "[ . 1 . 2]" 1 385 1 34 ILE HA 1 37 ALA H . . 4.310 4.018 3.773 4.296 . 0 0 "[ . 1 . 2]" 1 386 1 34 ILE HA 1 37 ALA MB . . 3.660 3.006 2.645 3.246 . 0 0 "[ . 1 . 2]" 1 387 1 34 ILE HB 1 34 ILE MD . . 3.460 2.275 2.180 2.378 . 0 0 "[ . 1 . 2]" 1 388 1 34 ILE HB 1 35 LYS H . . 3.480 2.871 2.672 3.090 . 0 0 "[ . 1 . 2]" 1 389 1 34 ILE MD 1 70 LEU HA . . 4.570 3.960 3.402 4.315 . 0 0 "[ . 1 . 2]" 1 390 1 34 ILE MD 1 70 LEU HB2 . . 3.910 3.418 3.115 3.797 . 0 0 "[ . 1 . 2]" 1 391 1 34 ILE MD 1 70 LEU QB . . 3.380 2.359 1.958 2.616 . 0 0 "[ . 1 . 2]" 1 392 1 34 ILE MD 1 70 LEU HB3 . . 3.910 2.411 1.977 2.665 . 0 0 "[ . 1 . 2]" 1 393 1 34 ILE MD 1 70 LEU MD1 . . 3.840 3.581 2.914 3.835 . 0 0 "[ . 1 . 2]" 1 394 1 34 ILE MD 1 70 LEU MD2 . . 3.950 3.526 2.564 3.890 . 0 0 "[ . 1 . 2]" 1 395 1 34 ILE MD 1 76 ARG QD . . 4.180 2.918 1.826 4.154 . 0 0 "[ . 1 . 2]" 1 396 1 34 ILE MD 1 76 ARG HE . . 4.800 3.407 2.246 4.795 . 0 0 "[ . 1 . 2]" 1 397 1 34 ILE MD 1 76 ARG QH1 . . 4.530 3.396 1.960 4.529 . 0 0 "[ . 1 . 2]" 1 398 1 34 ILE MD 1 76 ARG QH2 . . 4.930 3.377 1.769 4.333 . 0 0 "[ . 1 . 2]" 1 399 1 34 ILE HG12 1 34 ILE MG . . 3.720 2.318 2.112 2.446 . 0 0 "[ . 1 . 2]" 1 400 1 34 ILE HG12 1 35 LYS H . . 5.400 5.134 5.001 5.269 . 0 0 "[ . 1 . 2]" 1 401 1 34 ILE HG12 1 70 LEU MD2 . . 5.450 4.639 3.984 5.205 . 0 0 "[ . 1 . 2]" 1 402 1 34 ILE HG13 1 34 ILE MG . . 3.680 3.187 3.136 3.202 . 0 0 "[ . 1 . 2]" 1 403 1 34 ILE HG13 1 35 LYS H . . 4.900 4.385 4.235 4.595 . 0 0 "[ . 1 . 2]" 1 404 1 34 ILE MG 1 35 LYS H . . 3.730 3.547 3.303 3.696 . 0 0 "[ . 1 . 2]" 1 405 1 34 ILE MG 1 35 LYS HA . . 4.110 3.482 3.205 3.645 . 0 0 "[ . 1 . 2]" 1 406 1 34 ILE MG 1 38 TYR HB2 . . 4.220 4.103 3.619 4.220 0.000 14 0 "[ . 1 . 2]" 1 407 1 34 ILE MG 1 67 TYR HA . . 3.850 3.546 3.333 3.797 . 0 0 "[ . 1 . 2]" 1 408 1 34 ILE MG 1 67 TYR QD . . 3.380 2.738 2.310 3.166 . 0 0 "[ . 1 . 2]" 1 409 1 34 ILE MG 1 67 TYR QE . . 3.620 2.892 2.328 3.610 . 0 0 "[ . 1 . 2]" 1 410 1 34 ILE MG 1 70 LEU H . . 4.800 4.642 4.389 4.795 . 0 0 "[ . 1 . 2]" 1 411 1 34 ILE MG 1 70 LEU HA . . 5.050 4.359 3.840 4.787 . 0 0 "[ . 1 . 2]" 1 412 1 34 ILE MG 1 70 LEU HB2 . . 4.380 2.562 1.986 2.820 . 0 0 "[ . 1 . 2]" 1 413 1 34 ILE MG 1 70 LEU QB . . 3.520 2.373 1.858 2.621 . 0 0 "[ . 1 . 2]" 1 414 1 34 ILE MG 1 70 LEU HB3 . . 4.380 2.849 2.235 3.335 . 0 0 "[ . 1 . 2]" 1 415 1 34 ILE MG 1 70 LEU MD1 . . 3.900 2.953 2.579 3.372 . 0 0 "[ . 1 . 2]" 1 416 1 34 ILE MG 1 71 GLY H . . 4.280 4.003 3.666 4.151 . 0 0 "[ . 1 . 2]" 1 417 1 34 ILE MG 1 71 GLY HA2 . . 4.540 3.045 2.411 3.306 . 0 0 "[ . 1 . 2]" 1 418 1 34 ILE MG 1 71 GLY HA3 . . 4.620 4.404 3.838 4.620 0.000 4 0 "[ . 1 . 2]" 1 419 1 35 LYS H 1 35 LYS HB2 . . 3.290 2.543 2.285 2.794 . 0 0 "[ . 1 . 2]" 1 420 1 35 LYS H 1 35 LYS HB3 . . 3.710 2.611 2.458 2.847 . 0 0 "[ . 1 . 2]" 1 421 1 35 LYS H 1 35 LYS QD . . 4.930 4.447 4.219 4.609 . 0 0 "[ . 1 . 2]" 1 422 1 35 LYS H 1 35 LYS QG . . 4.690 3.980 3.876 4.060 . 0 0 "[ . 1 . 2]" 1 423 1 35 LYS H 1 36 ALA H . . 3.510 2.614 2.368 2.737 . 0 0 "[ . 1 . 2]" 1 424 1 35 LYS H 1 36 ALA MB . . 4.120 4.059 3.955 4.120 . 17 0 "[ . 1 . 2]" 1 425 1 35 LYS H 1 37 ALA H . . 4.600 3.790 3.559 3.945 . 0 0 "[ . 1 . 2]" 1 426 1 35 LYS H 1 67 TYR QE . . 4.750 4.301 3.990 4.722 . 0 0 "[ . 1 . 2]" 1 427 1 35 LYS HA 1 35 LYS HG2 . . 4.110 2.793 2.356 3.238 . 0 0 "[ . 1 . 2]" 1 428 1 35 LYS HA 1 35 LYS HG3 . . 4.110 2.722 2.381 3.535 . 0 0 "[ . 1 . 2]" 1 429 1 35 LYS HA 1 37 ALA H . . 4.610 4.185 3.900 4.364 . 0 0 "[ . 1 . 2]" 1 430 1 35 LYS HA 1 38 TYR HB3 . . 4.410 2.987 2.634 3.245 . 0 0 "[ . 1 . 2]" 1 431 1 35 LYS HA 1 67 TYR QD . . 4.290 3.880 3.575 4.077 . 0 0 "[ . 1 . 2]" 1 432 1 35 LYS HA 1 67 TYR QE . . 3.540 2.225 2.009 2.552 . 0 0 "[ . 1 . 2]" 1 433 1 35 LYS HB2 1 35 LYS QD . . 3.830 2.585 2.300 3.219 . 0 0 "[ . 1 . 2]" 1 434 1 35 LYS HB2 1 35 LYS QE . . 4.460 3.733 2.184 4.184 . 0 0 "[ . 1 . 2]" 1 435 1 35 LYS HB2 1 36 ALA H . . 3.770 3.568 3.286 3.769 . 0 0 "[ . 1 . 2]" 1 436 1 35 LYS HB3 1 35 LYS QD . . 3.770 2.307 2.083 2.493 . 0 0 "[ . 1 . 2]" 1 437 1 35 LYS HB3 1 35 LYS QE . . 4.710 3.685 2.317 4.130 . 0 0 "[ . 1 . 2]" 1 438 1 35 LYS HB3 1 36 ALA H . . 4.220 2.202 1.995 2.513 . 0 0 "[ . 1 . 2]" 1 439 1 35 LYS HB3 1 36 ALA HA . . 5.130 4.047 3.820 4.202 . 0 0 "[ . 1 . 2]" 1 440 1 35 LYS HB3 1 37 ALA H . . 4.910 4.696 4.453 4.872 . 0 0 "[ . 1 . 2]" 1 441 1 35 LYS HB3 1 67 TYR QE . . 4.790 4.664 4.508 4.787 . 0 0 "[ . 1 . 2]" 1 442 1 35 LYS QD 1 36 ALA H . . 4.560 3.948 2.741 4.474 . 0 0 "[ . 1 . 2]" 1 443 1 35 LYS QD 1 39 TYR QE . . 4.090 3.396 1.993 4.050 . 0 0 "[ . 1 . 2]" 1 444 1 35 LYS QE 1 35 LYS HG2 . . 3.750 2.603 2.174 3.300 . 0 0 "[ . 1 . 2]" 1 445 1 35 LYS QE 1 35 LYS QG . . 3.290 2.149 2.069 2.241 . 0 0 "[ . 1 . 2]" 1 446 1 35 LYS QE 1 35 LYS HG3 . . 3.750 2.446 2.093 3.244 . 0 0 "[ . 1 . 2]" 1 447 1 35 LYS QE 1 39 TYR QD . . 4.760 4.047 3.332 4.756 . 0 0 "[ . 1 . 2]" 1 448 1 35 LYS QE 1 39 TYR QE . . 3.910 2.523 1.924 3.411 . 0 0 "[ . 1 . 2]" 1 449 1 35 LYS QE 1 67 TYR QE . . 4.840 4.547 3.748 4.840 0.000 3 0 "[ . 1 . 2]" 1 450 1 35 LYS QG 1 39 TYR QD . . 4.570 2.831 2.034 3.450 . 0 0 "[ . 1 . 2]" 1 451 1 35 LYS QG 1 67 TYR QE . . 4.550 3.082 2.428 3.533 . 0 0 "[ . 1 . 2]" 1 452 1 35 LYS HG2 1 39 TYR QE . . 4.020 2.646 2.007 3.040 . 0 0 "[ . 1 . 2]" 1 453 1 35 LYS HG3 1 39 TYR QE . . 4.020 3.264 2.282 4.012 . 0 0 "[ . 1 . 2]" 1 454 1 36 ALA H 1 36 ALA MB . . 2.930 2.064 2.032 2.137 . 0 0 "[ . 1 . 2]" 1 455 1 36 ALA H 1 37 ALA H . . 3.460 2.831 2.587 2.982 . 0 0 "[ . 1 . 2]" 1 456 1 36 ALA HA 1 39 TYR H . . 4.390 3.796 3.549 4.043 . 0 0 "[ . 1 . 2]" 1 457 1 36 ALA HA 1 39 TYR HB2 . . 4.420 2.804 2.617 2.957 . 0 0 "[ . 1 . 2]" 1 458 1 36 ALA HA 1 39 TYR QB . . 3.840 2.768 2.588 2.915 . 0 0 "[ . 1 . 2]" 1 459 1 36 ALA HA 1 39 TYR HB3 . . 4.420 4.268 4.035 4.414 . 0 0 "[ . 1 . 2]" 1 460 1 36 ALA HA 1 39 TYR QD . . 4.300 3.428 2.102 4.274 . 0 0 "[ . 1 . 2]" 1 461 1 36 ALA MB 1 37 ALA H . . 3.180 2.775 2.662 2.990 . 0 0 "[ . 1 . 2]" 1 462 1 36 ALA MB 1 38 TYR H . . 5.160 4.937 4.587 5.149 . 0 0 "[ . 1 . 2]" 1 463 1 37 ALA H 1 37 ALA MB . . 3.050 2.115 2.028 2.240 . 0 0 "[ . 1 . 2]" 1 464 1 37 ALA H 1 38 TYR H . . 3.520 2.835 2.604 2.975 . 0 0 "[ . 1 . 2]" 1 465 1 37 ALA H 1 38 TYR HB3 . . 4.830 4.705 4.544 4.812 . 0 0 "[ . 1 . 2]" 1 466 1 37 ALA H 1 39 TYR H . . 5.020 4.011 3.745 4.473 . 0 0 "[ . 1 . 2]" 1 467 1 37 ALA HA 1 39 TYR H . . 4.940 4.161 3.652 4.913 . 0 0 "[ . 1 . 2]" 1 468 1 37 ALA HA 1 40 ARG QB . . 3.910 3.230 2.125 3.910 0.000 7 0 "[ . 1 . 2]" 1 469 1 37 ALA HA 1 40 ARG QD . . 4.700 3.288 2.035 4.700 . 0 0 "[ . 1 . 2]" 1 470 1 37 ALA HA 1 40 ARG QG . . 4.100 2.764 1.871 3.822 . 0 0 "[ . 1 . 2]" 1 471 1 37 ALA MB 1 38 TYR H . . 3.630 2.265 1.943 2.619 . 0 0 "[ . 1 . 2]" 1 472 1 38 TYR H 1 38 TYR HB2 . . 3.510 2.659 2.548 2.792 . 0 0 "[ . 1 . 2]" 1 473 1 38 TYR H 1 38 TYR HB3 . . 3.530 2.437 2.316 2.579 . 0 0 "[ . 1 . 2]" 1 474 1 38 TYR H 1 38 TYR QD . . 4.220 4.185 4.140 4.214 . 0 0 "[ . 1 . 2]" 1 475 1 38 TYR H 1 39 TYR H . . 3.690 2.862 2.613 3.062 . 0 0 "[ . 1 . 2]" 1 476 1 38 TYR HA 1 38 TYR QD . . 3.830 2.747 2.534 3.009 . 0 0 "[ . 1 . 2]" 1 477 1 38 TYR HA 1 38 TYR QE . . 5.400 4.741 4.611 4.846 . 0 0 "[ . 1 . 2]" 1 478 1 38 TYR HA 1 41 GLN H . . 4.560 3.756 3.400 4.051 . 0 0 "[ . 1 . 2]" 1 479 1 38 TYR HA 1 41 GLN QB . . 4.400 3.070 2.524 3.973 . 0 0 "[ . 1 . 2]" 1 480 1 38 TYR HA 1 63 ILE MG . . 3.670 3.418 3.071 3.616 . 0 0 "[ . 1 . 2]" 1 481 1 38 TYR HB2 1 39 TYR H . . 4.300 4.062 3.800 4.284 . 0 0 "[ . 1 . 2]" 1 482 1 38 TYR HB2 1 67 TYR QD . . 3.910 2.830 2.444 3.361 . 0 0 "[ . 1 . 2]" 1 483 1 38 TYR HB2 1 67 TYR QE . . 4.520 3.963 3.522 4.521 0.001 15 0 "[ . 1 . 2]" 1 484 1 38 TYR HB3 1 39 TYR H . . 3.950 2.799 2.375 3.208 . 0 0 "[ . 1 . 2]" 1 485 1 38 TYR HB3 1 39 TYR HA . . 5.160 4.494 4.290 4.647 . 0 0 "[ . 1 . 2]" 1 486 1 38 TYR QD 1 39 TYR H . . 4.460 3.466 2.695 4.035 . 0 0 "[ . 1 . 2]" 1 487 1 38 TYR QD 1 39 TYR QD . . 4.510 2.952 2.166 4.137 . 0 0 "[ . 1 . 2]" 1 488 1 38 TYR QD 1 39 TYR QE . . 4.490 3.471 2.711 4.261 . 0 0 "[ . 1 . 2]" 1 489 1 38 TYR QD 1 63 ILE MG . . 3.600 2.552 2.087 3.090 . 0 0 "[ . 1 . 2]" 1 490 1 38 TYR QE 1 39 TYR HA . . 4.860 4.446 3.915 4.854 . 0 0 "[ . 1 . 2]" 1 491 1 38 TYR QE 1 39 TYR QE . . 4.220 3.988 3.666 4.202 . 0 0 "[ . 1 . 2]" 1 492 1 38 TYR QE 1 63 ILE MG . . 3.630 2.948 2.069 3.531 . 0 0 "[ . 1 . 2]" 1 493 1 38 TYR QE 1 64 SER H . . 4.890 4.106 3.311 4.653 . 0 0 "[ . 1 . 2]" 1 494 1 38 TYR QE 1 64 SER HA . . 3.640 2.224 1.999 2.776 . 0 0 "[ . 1 . 2]" 1 495 1 38 TYR QE 1 64 SER HB2 . . 4.700 4.035 3.241 4.683 . 0 0 "[ . 1 . 2]" 1 496 1 38 TYR QE 1 64 SER HB3 . . 4.700 4.367 3.961 4.689 . 0 0 "[ . 1 . 2]" 1 497 1 38 TYR QE 1 67 TYR HB2 . . 4.580 3.376 2.997 3.765 . 0 0 "[ . 1 . 2]" 1 498 1 38 TYR QE 1 67 TYR QB . . 4.000 3.062 2.808 3.432 . 0 0 "[ . 1 . 2]" 1 499 1 38 TYR QE 1 67 TYR HB3 . . 4.580 3.528 3.183 3.996 . 0 0 "[ . 1 . 2]" 1 500 1 39 TYR H 1 39 TYR HB2 . . 3.710 2.211 2.178 2.272 . 0 0 "[ . 1 . 2]" 1 501 1 39 TYR H 1 39 TYR QB . . 3.240 2.188 2.157 2.247 . 0 0 "[ . 1 . 2]" 1 502 1 39 TYR H 1 39 TYR HB3 . . 3.710 3.508 3.485 3.545 . 0 0 "[ . 1 . 2]" 1 503 1 39 TYR H 1 39 TYR QD . . 4.130 2.758 2.183 3.469 . 0 0 "[ . 1 . 2]" 1 504 1 39 TYR H 1 40 ARG H . . 3.660 2.753 2.286 2.933 . 0 0 "[ . 1 . 2]" 1 505 1 39 TYR H 1 40 ARG QB . . 4.950 4.668 4.136 4.911 . 0 0 "[ . 1 . 2]" 1 506 1 39 TYR HA 1 39 TYR QD . . 3.540 2.571 2.019 3.049 . 0 0 "[ . 1 . 2]" 1 507 1 39 TYR HA 1 39 TYR QE . . 4.530 4.359 4.154 4.521 . 0 0 "[ . 1 . 2]" 1 508 1 39 TYR HA 1 42 CYS H . . 4.370 3.654 3.145 4.041 . 0 0 "[ . 1 . 2]" 1 509 1 39 TYR HA 1 42 CYS HB2 . . 4.720 3.677 2.890 4.467 . 0 0 "[ . 1 . 2]" 1 510 1 39 TYR HA 1 42 CYS QB . . 3.970 3.264 2.646 3.843 . 0 0 "[ . 1 . 2]" 1 511 1 39 TYR HA 1 42 CYS HB3 . . 4.720 3.932 3.068 4.699 . 0 0 "[ . 1 . 2]" 1 512 1 39 TYR HA 1 43 PHE H . . 5.190 4.791 3.940 5.165 . 0 0 "[ . 1 . 2]" 1 513 1 39 TYR HB2 1 40 ARG H . . 4.080 2.609 2.282 2.979 . 0 0 "[ . 1 . 2]" 1 514 1 39 TYR HB3 1 40 ARG H . . 4.080 3.039 2.618 3.531 . 0 0 "[ . 1 . 2]" 1 515 1 40 ARG H 1 40 ARG QB . . 3.260 2.359 2.169 2.829 . 0 0 "[ . 1 . 2]" 1 516 1 40 ARG H 1 40 ARG QD . . 4.570 4.053 1.961 4.376 . 0 0 "[ . 1 . 2]" 1 517 1 40 ARG H 1 40 ARG HG2 . . 4.130 2.992 2.262 3.880 . 0 0 "[ . 1 . 2]" 1 518 1 40 ARG H 1 40 ARG QG . . 3.620 2.505 2.052 3.430 . 0 0 "[ . 1 . 2]" 1 519 1 40 ARG H 1 40 ARG HG3 . . 4.130 3.032 2.286 3.858 . 0 0 "[ . 1 . 2]" 1 520 1 40 ARG H 1 41 GLN H . . 3.720 2.837 2.736 3.080 . 0 0 "[ . 1 . 2]" 1 521 1 40 ARG HA 1 40 ARG QD . . 4.700 3.870 1.974 4.507 . 0 0 "[ . 1 . 2]" 1 522 1 40 ARG HA 1 40 ARG HG2 . . 4.050 3.016 2.207 3.897 . 0 0 "[ . 1 . 2]" 1 523 1 40 ARG HA 1 40 ARG HG3 . . 4.050 3.352 2.455 3.741 . 0 0 "[ . 1 . 2]" 1 524 1 40 ARG HA 1 43 PHE H . . 4.630 3.701 3.423 4.027 . 0 0 "[ . 1 . 2]" 1 525 1 40 ARG HA 1 43 PHE HB2 . . 4.520 4.058 3.374 4.519 . 0 0 "[ . 1 . 2]" 1 526 1 40 ARG HA 1 43 PHE QB . . 3.950 3.007 2.458 3.678 . 0 0 "[ . 1 . 2]" 1 527 1 40 ARG HA 1 43 PHE HB3 . . 4.520 3.119 2.501 3.897 . 0 0 "[ . 1 . 2]" 1 528 1 40 ARG QB 1 41 GLN H . . 3.990 2.957 2.390 3.994 0.004 14 0 "[ . 1 . 2]" 1 529 1 40 ARG QB 1 41 GLN QE . . 4.710 3.326 1.887 4.694 . 0 0 "[ . 1 . 2]" 1 530 1 40 ARG QD 1 41 GLN QE . . 4.510 3.645 2.556 4.500 . 0 0 "[ . 1 . 2]" 1 531 1 40 ARG QD 1 44 LEU MD1 . . 4.400 4.029 3.284 4.400 0.000 19 0 "[ . 1 . 2]" 1 532 1 40 ARG QG 1 41 GLN H . . 5.340 3.512 2.025 4.443 . 0 0 "[ . 1 . 2]" 1 533 1 40 ARG QG 1 41 GLN QE . . 5.180 3.708 2.471 5.123 . 0 0 "[ . 1 . 2]" 1 534 1 41 GLN H 1 41 GLN HG2 . . 4.570 2.614 1.963 3.963 . 0 0 "[ . 1 . 2]" 1 535 1 41 GLN H 1 41 GLN QG . . 3.810 2.499 1.952 3.284 . 0 0 "[ . 1 . 2]" 1 536 1 41 GLN H 1 41 GLN HG3 . . 4.570 3.757 3.491 4.436 . 0 0 "[ . 1 . 2]" 1 537 1 41 GLN H 1 44 LEU MD1 . . 4.890 3.979 3.322 4.731 . 0 0 "[ . 1 . 2]" 1 538 1 41 GLN H 1 63 ILE MG . . 5.500 4.660 4.331 5.146 . 0 0 "[ . 1 . 2]" 1 539 1 41 GLN HA 1 41 GLN QE . . 4.320 3.228 2.493 3.715 . 0 0 "[ . 1 . 2]" 1 540 1 41 GLN HA 1 44 LEU H . . 4.190 3.446 3.040 3.796 . 0 0 "[ . 1 . 2]" 1 541 1 41 GLN HA 1 44 LEU QB . . 3.970 2.609 2.076 3.416 . 0 0 "[ . 1 . 2]" 1 542 1 41 GLN HA 1 44 LEU MD1 . . 3.810 2.207 1.975 2.529 . 0 0 "[ . 1 . 2]" 1 543 1 41 GLN QB 1 63 ILE MD . . 3.560 2.386 1.983 3.012 . 0 0 "[ . 1 . 2]" 1 544 1 41 GLN QB 1 63 ILE MG . . 3.360 2.196 1.829 2.677 . 0 0 "[ . 1 . 2]" 1 545 1 41 GLN HB2 1 42 CYS H . . 4.250 2.390 2.089 2.666 . 0 0 "[ . 1 . 2]" 1 546 1 41 GLN HB2 1 63 ILE MD . . 4.090 3.733 3.257 4.089 . 0 0 "[ . 1 . 2]" 1 547 1 41 GLN HB2 1 63 ILE MG . . 3.920 2.681 1.977 3.234 . 0 0 "[ . 1 . 2]" 1 548 1 41 GLN HB3 1 42 CYS H . . 4.250 3.311 2.877 3.731 . 0 0 "[ . 1 . 2]" 1 549 1 41 GLN HB3 1 63 ILE MD . . 4.090 2.420 2.001 3.100 . 0 0 "[ . 1 . 2]" 1 550 1 41 GLN HB3 1 63 ILE MG . . 3.920 2.391 1.941 3.412 . 0 0 "[ . 1 . 2]" 1 551 1 41 GLN QE 1 44 LEU QB . . 5.180 4.642 4.021 5.181 0.001 9 0 "[ . 1 . 2]" 1 552 1 41 GLN QE 1 44 LEU HG . . 5.340 5.090 4.783 5.325 . 0 0 "[ . 1 . 2]" 1 553 1 41 GLN HE21 1 44 LEU MD1 . . 4.260 3.540 2.536 4.172 . 0 0 "[ . 1 . 2]" 1 554 1 41 GLN HE22 1 44 LEU MD1 . . 4.260 3.007 2.386 4.176 . 0 0 "[ . 1 . 2]" 1 555 1 41 GLN QG 1 63 ILE MD . . 4.360 3.366 2.499 3.973 . 0 0 "[ . 1 . 2]" 1 556 1 41 GLN QG 1 63 ILE MG . . 3.780 2.349 1.875 2.958 . 0 0 "[ . 1 . 2]" 1 557 1 41 GLN HG2 1 63 ILE MG . . 4.370 3.356 2.125 4.204 . 0 0 "[ . 1 . 2]" 1 558 1 41 GLN HG3 1 63 ILE MG . . 4.370 2.588 1.891 3.523 . 0 0 "[ . 1 . 2]" 1 559 1 42 CYS H 1 42 CYS HB2 . . 4.000 2.477 2.221 3.531 . 0 0 "[ . 1 . 2]" 1 560 1 42 CYS H 1 42 CYS QB . . 3.460 2.274 2.161 2.502 . 0 0 "[ . 1 . 2]" 1 561 1 42 CYS H 1 42 CYS HB3 . . 4.000 2.896 2.248 3.601 . 0 0 "[ . 1 . 2]" 1 562 1 42 CYS H 1 43 PHE H . . 3.840 2.930 2.715 3.070 . 0 0 "[ . 1 . 2]" 1 563 1 42 CYS H 1 63 ILE MG . . 4.480 4.142 3.367 4.469 . 0 0 "[ . 1 . 2]" 1 564 1 42 CYS HA 1 45 TYR H . . 4.530 3.748 3.413 4.115 . 0 0 "[ . 1 . 2]" 1 565 1 42 CYS HA 1 60 PHE QE . . 3.990 2.762 2.032 3.921 . 0 0 "[ . 1 . 2]" 1 566 1 42 CYS QB 1 43 PHE H . . 3.690 2.520 2.220 3.400 . 0 0 "[ . 1 . 2]" 1 567 1 42 CYS QB 1 43 PHE HA . . 4.600 4.033 3.736 4.538 . 0 0 "[ . 1 . 2]" 1 568 1 42 CYS QB 1 60 PHE QE . . 4.680 3.916 2.815 4.487 . 0 0 "[ . 1 . 2]" 1 569 1 42 CYS HB2 1 43 PHE H . . 4.270 3.478 2.328 3.997 . 0 0 "[ . 1 . 2]" 1 570 1 42 CYS HB3 1 43 PHE H . . 4.270 2.782 2.238 3.818 . 0 0 "[ . 1 . 2]" 1 571 1 43 PHE H 1 43 PHE HB2 . . 3.470 2.721 2.544 2.947 . 0 0 "[ . 1 . 2]" 1 572 1 43 PHE H 1 43 PHE HB3 . . 3.470 2.380 2.228 2.547 . 0 0 "[ . 1 . 2]" 1 573 1 43 PHE H 1 43 PHE QD . . 4.330 4.106 3.949 4.195 . 0 0 "[ . 1 . 2]" 1 574 1 43 PHE H 1 44 LEU H . . 3.730 2.738 2.400 3.074 . 0 0 "[ . 1 . 2]" 1 575 1 43 PHE HA 1 43 PHE QD . . 3.880 3.069 2.425 3.300 . 0 0 "[ . 1 . 2]" 1 576 1 43 PHE QB 1 44 LEU H . . 3.600 2.523 2.218 2.856 . 0 0 "[ . 1 . 2]" 1 577 1 43 PHE HB2 1 44 LEU H . . 4.170 3.913 3.714 4.149 . 0 0 "[ . 1 . 2]" 1 578 1 43 PHE HB3 1 44 LEU H . . 4.170 2.556 2.236 2.910 . 0 0 "[ . 1 . 2]" 1 579 1 43 PHE QD 1 44 LEU H . . 4.330 2.800 2.385 3.385 . 0 0 "[ . 1 . 2]" 1 580 1 43 PHE QD 1 44 LEU HA . . 4.580 2.759 2.325 3.837 . 0 0 "[ . 1 . 2]" 1 581 1 43 PHE QD 1 44 LEU MD2 . . 3.750 3.503 3.195 3.702 . 0 0 "[ . 1 . 2]" 1 582 1 43 PHE QD 1 44 LEU HG . . 4.280 2.828 2.101 3.199 . 0 0 "[ . 1 . 2]" 1 583 1 43 PHE QE 1 44 LEU MD2 . . 4.800 3.810 3.034 4.423 . 0 0 "[ . 1 . 2]" 1 584 1 44 LEU H 1 44 LEU HB2 . . 3.910 2.320 2.163 2.543 . 0 0 "[ . 1 . 2]" 1 585 1 44 LEU H 1 44 LEU QB . . 3.220 2.290 2.143 2.495 . 0 0 "[ . 1 . 2]" 1 586 1 44 LEU H 1 44 LEU HB3 . . 3.910 3.552 3.480 3.617 . 0 0 "[ . 1 . 2]" 1 587 1 44 LEU H 1 44 LEU MD1 . . 4.000 3.348 3.109 3.661 . 0 0 "[ . 1 . 2]" 1 588 1 44 LEU H 1 44 LEU MD2 . . 4.400 3.906 3.682 4.088 . 0 0 "[ . 1 . 2]" 1 589 1 44 LEU H 1 44 LEU HG . . 3.670 2.652 2.243 3.022 . 0 0 "[ . 1 . 2]" 1 590 1 44 LEU HA 1 44 LEU MD1 . . 4.130 3.839 3.803 3.910 . 0 0 "[ . 1 . 2]" 1 591 1 44 LEU HA 1 44 LEU MD2 . . 3.060 2.379 2.064 2.579 . 0 0 "[ . 1 . 2]" 1 592 1 44 LEU HA 1 44 LEU HG . . 4.210 2.644 2.532 2.815 . 0 0 "[ . 1 . 2]" 1 593 1 44 LEU QB 1 44 LEU MD1 . . 3.030 2.028 1.944 2.101 . 0 0 "[ . 1 . 2]" 1 594 1 44 LEU QB 1 45 TYR H . . 3.760 2.589 2.326 2.849 . 0 0 "[ . 1 . 2]" 1 595 1 44 LEU HB2 1 45 TYR H . . 4.540 2.698 2.454 2.971 . 0 0 "[ . 1 . 2]" 1 596 1 44 LEU HB3 1 45 TYR H . . 4.540 3.354 2.829 3.777 . 0 0 "[ . 1 . 2]" 1 597 1 44 LEU MD1 1 45 TYR H . . 4.860 4.405 4.095 4.758 . 0 0 "[ . 1 . 2]" 1 598 1 44 LEU MD1 1 45 TYR QD . . 4.700 3.642 3.393 4.390 . 0 0 "[ . 1 . 2]" 1 599 1 44 LEU MD1 1 45 TYR QE . . 4.460 3.128 2.493 3.964 . 0 0 "[ . 1 . 2]" 1 600 1 44 LEU MD2 1 45 TYR H . . 5.350 4.736 4.453 4.952 . 0 0 "[ . 1 . 2]" 1 601 1 44 LEU MD2 1 45 TYR QE . . 3.940 3.804 3.139 3.941 0.001 19 0 "[ . 1 . 2]" 1 602 1 45 TYR H 1 45 TYR HB2 . . 4.100 2.638 2.452 2.963 . 0 0 "[ . 1 . 2]" 1 603 1 45 TYR H 1 45 TYR QB . . 3.480 2.588 2.417 2.882 . 0 0 "[ . 1 . 2]" 1 604 1 45 TYR H 1 45 TYR HB3 . . 4.100 3.760 3.659 3.944 . 0 0 "[ . 1 . 2]" 1 605 1 45 TYR H 1 45 TYR QD . . 3.970 2.542 2.021 3.489 . 0 0 "[ . 1 . 2]" 1 606 1 45 TYR H 1 46 HIS H . . 4.110 3.522 2.717 4.109 . 0 0 "[ . 1 . 2]" 1 607 1 45 TYR HA 1 45 TYR QD . . 3.910 3.057 2.322 3.239 . 0 0 "[ . 1 . 2]" 1 608 1 45 TYR HA 1 50 ASN HD21 . . 3.890 3.455 2.973 3.778 . 0 0 "[ . 1 . 2]" 1 609 1 45 TYR HA 1 50 ASN HD22 . . 3.730 2.670 1.950 3.640 . 0 0 "[ . 1 . 2]" 1 610 1 45 TYR HA 1 56 ALA MB . . 4.760 4.603 4.006 4.757 . 0 0 "[ . 1 . 2]" 1 611 1 45 TYR QD 1 56 ALA HA . . 4.690 3.457 2.207 4.197 . 0 0 "[ . 1 . 2]" 1 612 1 45 TYR QD 1 56 ALA MB . . 3.730 2.598 2.080 3.423 . 0 0 "[ . 1 . 2]" 1 613 1 45 TYR QD 1 63 ILE MD . . 3.740 3.423 2.842 3.741 0.001 15 0 "[ . 1 . 2]" 1 614 1 45 TYR QE 1 56 ALA MB . . 4.110 3.832 3.361 4.105 . 0 0 "[ . 1 . 2]" 1 615 1 45 TYR QE 1 63 ILE MD . . 4.120 3.800 3.421 4.088 . 0 0 "[ . 1 . 2]" 1 616 1 46 HIS H 1 46 HIS HB2 . . 3.790 2.245 2.173 2.436 . 0 0 "[ . 1 . 2]" 1 617 1 46 HIS H 1 46 HIS HB3 . . 3.790 3.194 2.870 3.580 . 0 0 "[ . 1 . 2]" 1 618 1 46 HIS H 1 46 HIS HD2 . . 4.610 4.225 3.529 4.609 . 0 0 "[ . 1 . 2]" 1 619 1 46 HIS H 1 50 ASN HD22 . . 4.680 3.409 2.281 4.628 . 0 0 "[ . 1 . 2]" 1 620 1 46 HIS HA 1 47 PRO QD . . 3.950 2.041 1.987 2.160 . 0 0 "[ . 1 . 2]" 1 621 1 46 HIS HA 1 47 PRO QG . . 4.300 3.948 3.888 4.076 . 0 0 "[ . 1 . 2]" 1 622 1 46 HIS HE1 1 47 PRO QD . . 4.230 3.944 3.418 4.194 . 0 0 "[ . 1 . 2]" 1 623 1 46 HIS HE1 1 47 PRO QG . . 5.500 4.623 3.421 5.502 0.002 3 0 "[ . 1 . 2]" 1 624 1 47 PRO HA 1 50 ASN HB2 . . 4.210 3.706 2.576 4.207 . 0 0 "[ . 1 . 2]" 1 625 1 47 PRO HA 1 50 ASN HD21 . . 4.510 4.219 3.747 4.509 . 0 0 "[ . 1 . 2]" 1 626 1 48 ASP QB 1 49 ARG H . . 4.150 2.527 2.067 3.235 . 0 0 "[ . 1 . 2]" 1 627 1 48 ASP QB 1 50 ASN H . . 5.150 4.857 4.338 5.149 . 0 0 "[ . 1 . 2]" 1 628 1 49 ARG H 1 49 ARG HB2 . . 4.090 2.374 2.173 3.563 . 0 0 "[ . 1 . 2]" 1 629 1 49 ARG H 1 49 ARG QB . . 3.590 2.299 2.122 2.704 . 0 0 "[ . 1 . 2]" 1 630 1 49 ARG H 1 49 ARG HB3 . . 4.090 3.450 2.802 3.611 . 0 0 "[ . 1 . 2]" 1 631 1 49 ARG H 1 49 ARG HG2 . . 4.610 3.314 1.994 4.313 . 0 0 "[ . 1 . 2]" 1 632 1 49 ARG H 1 49 ARG QG . . 3.840 2.793 1.941 3.824 . 0 0 "[ . 1 . 2]" 1 633 1 49 ARG H 1 49 ARG HG3 . . 4.610 3.368 2.431 4.421 . 0 0 "[ . 1 . 2]" 1 634 1 49 ARG H 1 50 ASN H . . 3.770 2.829 2.198 3.307 . 0 0 "[ . 1 . 2]" 1 635 1 49 ARG HA 1 49 ARG QG . . 3.730 2.433 2.167 3.292 . 0 0 "[ . 1 . 2]" 1 636 1 49 ARG QB 1 50 ASN HD21 . . 3.970 3.007 2.595 3.541 . 0 0 "[ . 1 . 2]" 1 637 1 49 ARG QB 1 50 ASN HD22 . . 4.080 3.289 2.512 3.932 . 0 0 "[ . 1 . 2]" 1 638 1 49 ARG HB2 1 50 ASN HD21 . . 4.520 3.256 2.640 4.169 . 0 0 "[ . 1 . 2]" 1 639 1 49 ARG HB2 1 50 ASN HD22 . . 4.650 3.664 2.626 4.454 . 0 0 "[ . 1 . 2]" 1 640 1 49 ARG HB3 1 50 ASN HD21 . . 4.520 3.853 2.778 4.519 . 0 0 "[ . 1 . 2]" 1 641 1 49 ARG HB3 1 50 ASN HD22 . . 4.650 3.946 2.955 4.399 . 0 0 "[ . 1 . 2]" 1 642 1 50 ASN HB2 1 53 SER QB . . 4.420 3.687 3.073 4.368 . 0 0 "[ . 1 . 2]" 1 643 1 50 ASN HB2 1 56 ALA MB . . 3.890 3.515 2.452 3.891 0.001 9 0 "[ . 1 . 2]" 1 644 1 50 ASN HB3 1 53 SER H . . 4.610 3.566 2.317 4.598 . 0 0 "[ . 1 . 2]" 1 645 1 50 ASN HB3 1 53 SER HB2 . . 4.360 2.775 2.037 3.967 . 0 0 "[ . 1 . 2]" 1 646 1 50 ASN HB3 1 53 SER HB3 . . 4.360 3.204 2.244 4.332 . 0 0 "[ . 1 . 2]" 1 647 1 50 ASN HB3 1 56 ALA MB . . 3.760 3.065 1.927 3.710 . 0 0 "[ . 1 . 2]" 1 648 1 50 ASN HD21 1 56 ALA MB . . 4.670 4.120 3.010 4.662 . 0 0 "[ . 1 . 2]" 1 649 1 52 GLY H 1 53 SER H . . 4.360 3.052 2.362 3.657 . 0 0 "[ . 1 . 2]" 1 650 1 53 SER H 1 53 SER HB2 . . 3.580 2.773 2.199 3.586 0.006 10 0 "[ . 1 . 2]" 1 651 1 53 SER H 1 53 SER QB . . 3.080 2.435 2.177 2.866 . 0 0 "[ . 1 . 2]" 1 652 1 53 SER H 1 53 SER HB3 . . 3.580 3.116 2.421 3.578 . 0 0 "[ . 1 . 2]" 1 653 1 53 SER H 1 56 ALA MB . . 4.480 4.071 3.239 4.486 0.006 18 0 "[ . 1 . 2]" 1 654 1 53 SER HA 1 54 ALA MB . . 4.320 3.944 3.821 4.047 . 0 0 "[ . 1 . 2]" 1 655 1 53 SER HA 1 55 GLU H . . 4.620 4.283 3.885 4.581 . 0 0 "[ . 1 . 2]" 1 656 1 53 SER HA 1 56 ALA H . . 5.100 4.753 4.346 5.102 0.002 18 0 "[ . 1 . 2]" 1 657 1 53 SER QB 1 56 ALA H . . 4.370 2.680 2.193 3.303 . 0 0 "[ . 1 . 2]" 1 658 1 53 SER QB 1 56 ALA MB . . 3.280 2.090 1.762 2.844 . 0 0 "[ . 1 . 2]" 1 659 1 53 SER QB 1 57 ALA H . . 5.070 3.518 2.715 4.052 . 0 0 "[ . 1 . 2]" 1 660 1 53 SER HB2 1 56 ALA MB . . 3.820 2.651 1.987 3.516 . 0 0 "[ . 1 . 2]" 1 661 1 53 SER HB3 1 56 ALA MB . . 3.820 2.417 1.905 3.244 . 0 0 "[ . 1 . 2]" 1 662 1 54 ALA H 1 55 GLU H . . 4.690 2.479 1.981 2.892 . 0 0 "[ . 1 . 2]" 1 663 1 54 ALA MB 1 55 GLU H . . 3.510 2.489 2.208 2.768 . 0 0 "[ . 1 . 2]" 1 664 1 54 ALA MB 1 55 GLU QG . . 4.130 3.388 2.819 4.129 . 0 0 "[ . 1 . 2]" 1 665 1 55 GLU H 1 55 GLU HB2 . . 3.610 2.448 2.240 3.590 . 0 0 "[ . 1 . 2]" 1 666 1 55 GLU H 1 55 GLU QB . . 3.140 2.366 2.216 2.588 . 0 0 "[ . 1 . 2]" 1 667 1 55 GLU H 1 55 GLU HB3 . . 3.610 3.534 2.654 3.615 0.005 18 0 "[ . 1 . 2]" 1 668 1 55 GLU H 1 55 GLU QG . . 3.870 2.610 1.889 3.332 . 0 0 "[ . 1 . 2]" 1 669 1 55 GLU H 1 56 ALA H . . 3.660 2.716 2.120 3.091 . 0 0 "[ . 1 . 2]" 1 670 1 55 GLU H 1 57 ALA H . . 4.760 4.123 3.568 4.420 . 0 0 "[ . 1 . 2]" 1 671 1 55 GLU HA 1 55 GLU QG . . 3.300 2.531 2.170 3.323 0.023 20 0 "[ . 1 . 2]" 1 672 1 55 GLU QB 1 57 ALA H . . 5.340 4.588 4.271 4.887 . 0 0 "[ . 1 . 2]" 1 673 1 55 GLU HB2 1 56 ALA H . . 3.790 2.535 2.099 3.187 . 0 0 "[ . 1 . 2]" 1 674 1 55 GLU HB3 1 56 ALA H . . 3.790 3.349 2.864 3.790 0.000 20 0 "[ . 1 . 2]" 1 675 1 55 GLU QG 1 56 ALA H . . 4.300 4.047 1.803 4.304 0.004 18 0 "[ . 1 . 2]" 1 676 1 56 ALA H 1 56 ALA MB . . 3.050 2.127 2.030 2.292 . 0 0 "[ . 1 . 2]" 1 677 1 56 ALA H 1 57 ALA H . . 3.500 2.811 2.492 3.108 . 0 0 "[ . 1 . 2]" 1 678 1 56 ALA HA 1 59 ARG H . . 4.030 3.789 3.318 4.028 . 0 0 "[ . 1 . 2]" 1 679 1 56 ALA HA 1 59 ARG HB2 . . 4.540 3.528 2.888 4.110 . 0 0 "[ . 1 . 2]" 1 680 1 56 ALA HA 1 59 ARG QB . . 3.950 2.799 2.196 3.232 . 0 0 "[ . 1 . 2]" 1 681 1 56 ALA HA 1 59 ARG HB3 . . 4.540 3.064 2.221 4.470 . 0 0 "[ . 1 . 2]" 1 682 1 56 ALA MB 1 57 ALA H . . 3.520 2.650 2.336 3.515 . 0 0 "[ . 1 . 2]" 1 683 1 57 ALA H 1 57 ALA MB . . 2.980 2.159 2.044 2.250 . 0 0 "[ . 1 . 2]" 1 684 1 57 ALA H 1 58 GLU H . . 3.460 3.035 2.534 3.254 . 0 0 "[ . 1 . 2]" 1 685 1 57 ALA H 1 58 GLU QB . . 5.210 4.935 4.693 5.206 . 0 0 "[ . 1 . 2]" 1 686 1 57 ALA HA 1 60 PHE H . . 4.640 3.882 3.300 4.193 . 0 0 "[ . 1 . 2]" 1 687 1 57 ALA HA 1 60 PHE HB2 . . 4.300 3.444 2.717 4.110 . 0 0 "[ . 1 . 2]" 1 688 1 57 ALA HA 1 60 PHE QB . . 3.770 2.927 2.485 3.260 . 0 0 "[ . 1 . 2]" 1 689 1 57 ALA HA 1 60 PHE HB3 . . 4.300 3.259 2.616 4.229 . 0 0 "[ . 1 . 2]" 1 690 1 57 ALA HA 1 61 THR H . . 4.610 4.300 3.920 4.583 . 0 0 "[ . 1 . 2]" 1 691 1 57 ALA MB 1 58 GLU H . . 3.320 2.197 1.924 2.417 . 0 0 "[ . 1 . 2]" 1 692 1 57 ALA MB 1 58 GLU QG . . 4.540 3.460 3.048 4.388 . 0 0 "[ . 1 . 2]" 1 693 1 57 ALA MB 1 61 THR H . . 5.030 4.797 4.481 4.986 . 0 0 "[ . 1 . 2]" 1 694 1 58 GLU H 1 58 GLU QB . . 3.050 2.459 2.260 2.635 . 0 0 "[ . 1 . 2]" 1 695 1 58 GLU H 1 58 GLU HG2 . . 4.180 2.317 1.907 3.677 . 0 0 "[ . 1 . 2]" 1 696 1 58 GLU H 1 58 GLU HG3 . . 4.180 3.471 2.220 3.911 . 0 0 "[ . 1 . 2]" 1 697 1 58 GLU H 1 59 ARG H . . 3.530 2.981 2.577 3.204 . 0 0 "[ . 1 . 2]" 1 698 1 58 GLU HA 1 58 GLU HG2 . . 3.960 3.183 2.451 3.792 . 0 0 "[ . 1 . 2]" 1 699 1 58 GLU HA 1 58 GLU QG . . 3.430 2.939 2.401 3.339 . 0 0 "[ . 1 . 2]" 1 700 1 58 GLU HA 1 58 GLU HG3 . . 3.960 3.660 2.640 3.872 . 0 0 "[ . 1 . 2]" 1 701 1 58 GLU HA 1 61 THR H . . 4.070 3.773 3.525 4.071 0.001 5 0 "[ . 1 . 2]" 1 702 1 58 GLU HA 1 61 THR HB . . 3.780 3.201 2.832 3.782 0.002 9 0 "[ . 1 . 2]" 1 703 1 58 GLU HA 1 61 THR MG . . 4.410 4.159 2.663 4.409 . 0 0 "[ . 1 . 2]" 1 704 1 58 GLU HA 1 62 ARG H . . 4.590 4.438 4.083 4.578 . 0 0 "[ . 1 . 2]" 1 705 1 58 GLU QB 1 59 ARG H . . 3.510 2.575 2.076 3.509 . 0 0 "[ . 1 . 2]" 1 706 1 58 GLU QG 1 59 ARG H . . 4.210 3.400 1.885 4.185 . 0 0 "[ . 1 . 2]" 1 707 1 58 GLU HG2 1 59 ARG H . . 4.840 3.804 2.119 4.619 . 0 0 "[ . 1 . 2]" 1 708 1 58 GLU HG3 1 59 ARG H . . 4.840 3.913 2.071 4.820 . 0 0 "[ . 1 . 2]" 1 709 1 59 ARG H 1 59 ARG HB2 . . 3.450 2.349 2.171 2.801 . 0 0 "[ . 1 . 2]" 1 710 1 59 ARG H 1 59 ARG HB3 . . 3.450 2.787 2.330 3.479 0.029 5 0 "[ . 1 . 2]" 1 711 1 59 ARG H 1 59 ARG HG2 . . 4.860 4.466 3.040 4.650 . 0 0 "[ . 1 . 2]" 1 712 1 59 ARG H 1 59 ARG QG . . 4.140 3.910 2.933 4.068 . 0 0 "[ . 1 . 2]" 1 713 1 59 ARG H 1 59 ARG HG3 . . 4.860 4.353 3.857 4.560 . 0 0 "[ . 1 . 2]" 1 714 1 59 ARG H 1 60 PHE H . . 3.780 2.943 2.411 3.200 . 0 0 "[ . 1 . 2]" 1 715 1 59 ARG H 1 61 THR H . . 4.550 4.318 3.837 4.520 . 0 0 "[ . 1 . 2]" 1 716 1 59 ARG HA 1 59 ARG QD . . 4.660 3.071 1.986 4.161 . 0 0 "[ . 1 . 2]" 1 717 1 59 ARG HA 1 59 ARG QG . . 3.690 2.517 2.206 2.925 . 0 0 "[ . 1 . 2]" 1 718 1 59 ARG HA 1 62 ARG H . . 3.950 3.458 3.256 3.756 . 0 0 "[ . 1 . 2]" 1 719 1 59 ARG HA 1 62 ARG HB2 . . 4.310 2.691 2.515 2.828 . 0 0 "[ . 1 . 2]" 1 720 1 59 ARG HA 1 62 ARG HB3 . . 4.310 4.264 4.114 4.313 0.003 15 0 "[ . 1 . 2]" 1 721 1 59 ARG HA 1 62 ARG QD . . 4.340 3.649 2.433 4.303 . 0 0 "[ . 1 . 2]" 1 722 1 59 ARG QB 1 60 PHE H . . 3.950 2.242 1.886 2.882 . 0 0 "[ . 1 . 2]" 1 723 1 59 ARG HB2 1 60 PHE H . . 4.700 3.517 2.401 4.140 . 0 0 "[ . 1 . 2]" 1 724 1 59 ARG HB3 1 60 PHE H . . 4.700 2.288 1.896 2.940 . 0 0 "[ . 1 . 2]" 1 725 1 59 ARG QD 1 63 ILE MD . . 3.970 3.322 1.862 3.928 . 0 0 "[ . 1 . 2]" 1 726 1 59 ARG HD2 1 63 ILE MD . . 4.670 3.775 2.239 4.550 . 0 0 "[ . 1 . 2]" 1 727 1 59 ARG HD3 1 63 ILE MD . . 4.670 3.864 1.990 4.607 . 0 0 "[ . 1 . 2]" 1 728 1 59 ARG QG 1 63 ILE MD . . 3.640 2.287 1.883 3.637 . 0 0 "[ . 1 . 2]" 1 729 1 59 ARG QG 1 63 ILE QG . . 4.060 2.687 2.106 4.046 . 0 0 "[ . 1 . 2]" 1 730 1 59 ARG HG2 1 63 ILE MD . . 4.220 2.737 1.980 4.219 . 0 0 "[ . 1 . 2]" 1 731 1 59 ARG HG3 1 63 ILE MD . . 4.220 2.891 1.913 4.149 . 0 0 "[ . 1 . 2]" 1 732 1 60 PHE H 1 60 PHE HB2 . . 3.890 2.317 2.183 2.626 . 0 0 "[ . 1 . 2]" 1 733 1 60 PHE H 1 60 PHE HB3 . . 3.890 2.872 2.448 3.577 . 0 0 "[ . 1 . 2]" 1 734 1 60 PHE H 1 61 THR H . . 3.780 2.935 2.636 3.101 . 0 0 "[ . 1 . 2]" 1 735 1 60 PHE HA 1 60 PHE QD . . 3.850 2.349 2.148 2.688 . 0 0 "[ . 1 . 2]" 1 736 1 60 PHE HA 1 63 ILE H . . 4.430 3.746 3.259 4.059 . 0 0 "[ . 1 . 2]" 1 737 1 60 PHE HA 1 63 ILE HB . . 3.910 2.919 2.504 3.317 . 0 0 "[ . 1 . 2]" 1 738 1 60 PHE HA 1 63 ILE MD . . 3.400 2.099 1.991 2.271 . 0 0 "[ . 1 . 2]" 1 739 1 60 PHE HA 1 63 ILE HG12 . . 4.810 4.614 4.191 4.810 0.000 5 0 "[ . 1 . 2]" 1 740 1 60 PHE HA 1 63 ILE QG . . 3.990 3.426 3.005 3.946 . 0 0 "[ . 1 . 2]" 1 741 1 60 PHE HA 1 63 ILE HG13 . . 4.810 3.565 3.055 4.813 0.003 15 0 "[ . 1 . 2]" 1 742 1 60 PHE QB 1 61 THR H . . 3.540 2.451 2.155 2.711 . 0 0 "[ . 1 . 2]" 1 743 1 60 PHE HB2 1 61 THR H . . 4.220 3.606 2.612 3.936 . 0 0 "[ . 1 . 2]" 1 744 1 60 PHE HB3 1 61 THR H . . 4.220 2.526 2.171 3.235 . 0 0 "[ . 1 . 2]" 1 745 1 60 PHE QD 1 61 THR H . . 4.700 3.979 3.104 4.426 . 0 0 "[ . 1 . 2]" 1 746 1 60 PHE QD 1 63 ILE MD . . 4.330 2.965 2.520 3.450 . 0 0 "[ . 1 . 2]" 1 747 1 61 THR H 1 61 THR HB . . 3.280 2.534 2.286 2.674 . 0 0 "[ . 1 . 2]" 1 748 1 61 THR H 1 61 THR MG . . 3.850 3.645 2.543 3.771 . 0 0 "[ . 1 . 2]" 1 749 1 61 THR H 1 62 ARG H . . 3.550 2.778 2.664 3.043 . 0 0 "[ . 1 . 2]" 1 750 1 61 THR H 1 62 ARG QB . . 5.240 4.578 4.412 4.698 . 0 0 "[ . 1 . 2]" 1 751 1 61 THR HA 1 61 THR MG . . 3.280 2.506 2.296 3.171 . 0 0 "[ . 1 . 2]" 1 752 1 61 THR HB 1 62 ARG H . . 3.650 2.589 2.099 3.661 0.011 9 0 "[ . 1 . 2]" 1 753 1 61 THR MG 1 62 ARG H . . 4.040 3.205 1.862 3.614 . 0 0 "[ . 1 . 2]" 1 754 1 61 THR MG 1 62 ARG HA . . 4.450 3.379 2.806 3.647 . 0 0 "[ . 1 . 2]" 1 755 1 61 THR MG 1 65 GLN H . . 4.910 4.448 3.946 4.718 . 0 0 "[ . 1 . 2]" 1 756 1 61 THR MG 1 65 GLN HE21 . . 4.390 2.555 2.071 3.021 . 0 0 "[ . 1 . 2]" 1 757 1 61 THR MG 1 65 GLN HE22 . . 4.390 3.668 3.121 4.131 . 0 0 "[ . 1 . 2]" 1 758 1 61 THR MG 1 65 GLN HG2 . . 4.370 3.810 3.251 4.322 . 0 0 "[ . 1 . 2]" 1 759 1 61 THR MG 1 65 GLN QG . . 3.770 3.162 2.617 3.401 . 0 0 "[ . 1 . 2]" 1 760 1 61 THR MG 1 65 GLN HG3 . . 4.370 3.431 2.759 4.107 . 0 0 "[ . 1 . 2]" 1 761 1 62 ARG H 1 62 ARG HB2 . . 3.750 2.273 2.179 2.397 . 0 0 "[ . 1 . 2]" 1 762 1 62 ARG H 1 62 ARG QB . . 3.150 2.247 2.158 2.363 . 0 0 "[ . 1 . 2]" 1 763 1 62 ARG H 1 62 ARG HB3 . . 3.750 3.535 3.484 3.577 . 0 0 "[ . 1 . 2]" 1 764 1 62 ARG H 1 62 ARG QD . . 4.470 4.198 3.772 4.456 . 0 0 "[ . 1 . 2]" 1 765 1 62 ARG H 1 62 ARG HG2 . . 3.820 3.647 3.295 3.818 . 0 0 "[ . 1 . 2]" 1 766 1 62 ARG H 1 62 ARG QG . . 3.340 2.657 2.348 2.982 . 0 0 "[ . 1 . 2]" 1 767 1 62 ARG H 1 62 ARG HG3 . . 3.820 2.738 2.383 3.119 . 0 0 "[ . 1 . 2]" 1 768 1 62 ARG H 1 63 ILE H . . 3.830 2.780 2.510 3.029 . 0 0 "[ . 1 . 2]" 1 769 1 62 ARG HA 1 62 ARG QD . . 4.030 3.878 3.662 4.031 0.001 7 0 "[ . 1 . 2]" 1 770 1 62 ARG HA 1 62 ARG HG2 . . 3.950 2.317 2.165 2.577 . 0 0 "[ . 1 . 2]" 1 771 1 62 ARG HA 1 62 ARG QG . . 3.330 2.238 2.128 2.390 . 0 0 "[ . 1 . 2]" 1 772 1 62 ARG HA 1 62 ARG HG3 . . 3.950 3.027 2.777 3.278 . 0 0 "[ . 1 . 2]" 1 773 1 62 ARG HA 1 65 GLN H . . 4.310 3.475 3.314 3.770 . 0 0 "[ . 1 . 2]" 1 774 1 62 ARG HA 1 65 GLN HB2 . . 3.860 3.258 2.898 3.558 . 0 0 "[ . 1 . 2]" 1 775 1 62 ARG HA 1 65 GLN HB3 . . 4.670 4.497 4.263 4.672 0.002 15 0 "[ . 1 . 2]" 1 776 1 62 ARG HA 1 65 GLN HE21 . . 4.910 2.995 1.920 3.774 . 0 0 "[ . 1 . 2]" 1 777 1 62 ARG HA 1 65 GLN QE . . 4.280 2.911 1.911 3.560 . 0 0 "[ . 1 . 2]" 1 778 1 62 ARG HA 1 65 GLN HE22 . . 4.910 4.162 3.497 4.910 0.000 2 0 "[ . 1 . 2]" 1 779 1 62 ARG QB 1 62 ARG QD . . 3.130 2.133 2.036 2.249 . 0 0 "[ . 1 . 2]" 1 780 1 62 ARG QB 1 63 ILE H . . 4.430 2.444 2.319 2.606 . 0 0 "[ . 1 . 2]" 1 781 1 63 ILE H 1 63 ILE HB . . 3.740 2.606 2.340 2.706 . 0 0 "[ . 1 . 2]" 1 782 1 63 ILE H 1 63 ILE MD . . 4.060 3.298 1.874 3.542 . 0 0 "[ . 1 . 2]" 1 783 1 63 ILE H 1 63 ILE HG12 . . 4.360 3.417 3.154 4.047 . 0 0 "[ . 1 . 2]" 1 784 1 63 ILE H 1 63 ILE QG . . 3.670 2.034 1.888 3.159 . 0 0 "[ . 1 . 2]" 1 785 1 63 ILE H 1 63 ILE HG13 . . 4.360 2.054 1.900 3.297 . 0 0 "[ . 1 . 2]" 1 786 1 63 ILE H 1 63 ILE MG . . 3.940 3.770 3.709 3.783 . 0 0 "[ . 1 . 2]" 1 787 1 63 ILE H 1 64 SER H . . 3.850 3.006 2.797 3.139 . 0 0 "[ . 1 . 2]" 1 788 1 63 ILE HA 1 63 ILE MD . . 4.090 3.818 3.146 3.879 . 0 0 "[ . 1 . 2]" 1 789 1 63 ILE HA 1 63 ILE HG12 . . 4.040 2.665 2.517 3.413 . 0 0 "[ . 1 . 2]" 1 790 1 63 ILE HA 1 63 ILE HG13 . . 4.040 2.805 2.128 2.996 . 0 0 "[ . 1 . 2]" 1 791 1 63 ILE HA 1 63 ILE MG . . 3.490 2.422 2.323 2.549 . 0 0 "[ . 1 . 2]" 1 792 1 63 ILE HA 1 66 ALA H . . 4.390 3.608 3.418 3.769 . 0 0 "[ . 1 . 2]" 1 793 1 63 ILE HA 1 66 ALA MB . . 3.560 3.016 2.893 3.331 . 0 0 "[ . 1 . 2]" 1 794 1 63 ILE HB 1 63 ILE MD . . 3.410 2.324 2.195 2.449 . 0 0 "[ . 1 . 2]" 1 795 1 63 ILE HB 1 64 SER H . . 3.810 2.387 2.245 2.582 . 0 0 "[ . 1 . 2]" 1 796 1 63 ILE MD 1 64 SER H . . 4.400 4.283 3.970 4.398 . 0 0 "[ . 1 . 2]" 1 797 1 63 ILE QG 1 63 ILE MG . . 3.330 2.211 2.012 2.296 . 0 0 "[ . 1 . 2]" 1 798 1 63 ILE QG 1 64 SER H . . 4.280 4.016 3.921 4.257 . 0 0 "[ . 1 . 2]" 1 799 1 63 ILE MG 1 64 SER H . . 4.100 3.159 2.504 3.385 . 0 0 "[ . 1 . 2]" 1 800 1 64 SER H 1 64 SER HB2 . . 3.850 2.763 2.188 3.606 . 0 0 "[ . 1 . 2]" 1 801 1 64 SER H 1 64 SER QB . . 3.280 2.239 2.135 2.457 . 0 0 "[ . 1 . 2]" 1 802 1 64 SER H 1 64 SER HB3 . . 3.850 2.784 2.255 3.538 . 0 0 "[ . 1 . 2]" 1 803 1 64 SER HA 1 67 TYR H . . 4.360 3.430 3.177 3.628 . 0 0 "[ . 1 . 2]" 1 804 1 64 SER HA 1 67 TYR QB . . 4.580 2.989 2.656 3.219 . 0 0 "[ . 1 . 2]" 1 805 1 64 SER QB 1 65 GLN H . . 3.920 2.782 2.344 3.405 . 0 0 "[ . 1 . 2]" 1 806 1 65 GLN H 1 65 GLN HB2 . . 3.410 2.683 2.594 2.815 . 0 0 "[ . 1 . 2]" 1 807 1 65 GLN H 1 65 GLN HB3 . . 3.600 3.584 3.561 3.599 . 0 0 "[ . 1 . 2]" 1 808 1 65 GLN H 1 65 GLN HG2 . . 3.900 2.564 1.900 2.937 . 0 0 "[ . 1 . 2]" 1 809 1 65 GLN H 1 65 GLN QG . . 3.420 2.083 1.891 2.197 . 0 0 "[ . 1 . 2]" 1 810 1 65 GLN H 1 65 GLN HG3 . . 3.900 2.408 2.108 3.481 . 0 0 "[ . 1 . 2]" 1 811 1 65 GLN H 1 66 ALA H . . 3.520 2.894 2.758 3.057 . 0 0 "[ . 1 . 2]" 1 812 1 65 GLN H 1 66 ALA MB . . 4.800 4.465 4.373 4.540 . 0 0 "[ . 1 . 2]" 1 813 1 65 GLN H 1 68 VAL MG2 . . 4.930 4.044 3.834 4.238 . 0 0 "[ . 1 . 2]" 1 814 1 65 GLN HA 1 65 GLN HG2 . . 3.940 2.605 2.422 3.399 . 0 0 "[ . 1 . 2]" 1 815 1 65 GLN HA 1 65 GLN HG3 . . 3.940 3.517 3.333 3.795 . 0 0 "[ . 1 . 2]" 1 816 1 65 GLN HA 1 68 VAL H . . 4.010 3.955 3.734 4.010 . 0 0 "[ . 1 . 2]" 1 817 1 65 GLN HA 1 68 VAL HB . . 3.910 3.028 2.679 3.608 . 0 0 "[ . 1 . 2]" 1 818 1 65 GLN HA 1 68 VAL MG1 . . 4.340 4.057 3.815 4.310 . 0 0 "[ . 1 . 2]" 1 819 1 65 GLN HA 1 68 VAL MG2 . . 3.430 2.103 1.994 2.406 . 0 0 "[ . 1 . 2]" 1 820 1 65 GLN HB2 1 65 GLN QE . . 4.550 3.946 3.243 4.358 . 0 0 "[ . 1 . 2]" 1 821 1 65 GLN HB2 1 66 ALA H . . 3.610 2.437 2.301 2.607 . 0 0 "[ . 1 . 2]" 1 822 1 65 GLN HB2 1 67 TYR H . . 5.500 4.800 4.667 4.937 . 0 0 "[ . 1 . 2]" 1 823 1 65 GLN HB3 1 66 ALA H . . 4.010 3.622 3.477 3.792 . 0 0 "[ . 1 . 2]" 1 824 1 65 GLN HE22 1 65 GLN HG2 . . 4.090 3.705 3.455 3.992 . 0 0 "[ . 1 . 2]" 1 825 1 65 GLN HE22 1 65 GLN HG3 . . 4.090 3.561 3.441 3.843 . 0 0 "[ . 1 . 2]" 1 826 1 65 GLN QG 1 66 ALA H . . 4.060 3.821 3.688 3.948 . 0 0 "[ . 1 . 2]" 1 827 1 65 GLN HG2 1 66 ALA H . . 4.920 4.551 3.874 4.737 . 0 0 "[ . 1 . 2]" 1 828 1 65 GLN HG3 1 66 ALA H . . 4.920 4.182 3.911 4.836 . 0 0 "[ . 1 . 2]" 1 829 1 66 ALA H 1 66 ALA MB . . 3.210 2.196 2.130 2.230 . 0 0 "[ . 1 . 2]" 1 830 1 66 ALA H 1 67 TYR H . . 3.630 2.747 2.619 2.889 . 0 0 "[ . 1 . 2]" 1 831 1 66 ALA H 1 68 VAL H . . 5.360 4.270 4.001 4.415 . 0 0 "[ . 1 . 2]" 1 832 1 66 ALA HA 1 68 VAL H . . 4.730 3.480 3.386 3.557 . 0 0 "[ . 1 . 2]" 1 833 1 66 ALA HA 1 69 VAL H . . 4.490 4.064 3.886 4.179 . 0 0 "[ . 1 . 2]" 1 834 1 66 ALA HA 1 69 VAL HB . . 4.540 4.128 3.758 4.378 . 0 0 "[ . 1 . 2]" 1 835 1 66 ALA HA 1 69 VAL MG2 . . 4.590 4.262 3.910 4.483 . 0 0 "[ . 1 . 2]" 1 836 1 66 ALA HA 1 70 LEU H . . 4.620 4.163 3.772 4.394 . 0 0 "[ . 1 . 2]" 1 837 1 66 ALA MB 1 67 TYR H . . 3.560 2.770 2.616 2.884 . 0 0 "[ . 1 . 2]" 1 838 1 66 ALA MB 1 67 TYR HA . . 4.660 3.908 3.852 3.943 . 0 0 "[ . 1 . 2]" 1 839 1 66 ALA MB 1 70 LEU MD1 . . 3.960 2.750 2.238 3.103 . 0 0 "[ . 1 . 2]" 1 840 1 67 TYR H 1 67 TYR HB2 . . 3.500 2.497 2.316 2.596 . 0 0 "[ . 1 . 2]" 1 841 1 67 TYR H 1 67 TYR HB3 . . 3.500 2.707 2.543 2.803 . 0 0 "[ . 1 . 2]" 1 842 1 67 TYR H 1 67 TYR QD . . 4.240 4.176 4.057 4.219 . 0 0 "[ . 1 . 2]" 1 843 1 67 TYR H 1 68 VAL H . . 3.670 2.780 2.592 2.909 . 0 0 "[ . 1 . 2]" 1 844 1 67 TYR H 1 68 VAL HB . . 5.500 4.684 4.477 5.008 . 0 0 "[ . 1 . 2]" 1 845 1 67 TYR H 1 68 VAL MG2 . . 5.140 3.488 3.227 3.636 . 0 0 "[ . 1 . 2]" 1 846 1 67 TYR HA 1 67 TYR QD . . 3.490 2.087 1.997 2.241 . 0 0 "[ . 1 . 2]" 1 847 1 67 TYR HA 1 67 TYR QE . . 4.550 4.252 4.179 4.318 . 0 0 "[ . 1 . 2]" 1 848 1 67 TYR HA 1 68 VAL MG2 . . 4.510 4.437 4.322 4.510 . 0 0 "[ . 1 . 2]" 1 849 1 67 TYR HA 1 70 LEU H . . 4.500 4.170 3.982 4.468 . 0 0 "[ . 1 . 2]" 1 850 1 67 TYR HA 1 70 LEU QB . . 4.780 3.702 3.337 3.903 . 0 0 "[ . 1 . 2]" 1 851 1 67 TYR HA 1 71 GLY H . . 4.450 3.410 3.019 3.683 . 0 0 "[ . 1 . 2]" 1 852 1 67 TYR QB 1 68 VAL H . . 3.920 3.681 3.415 3.783 . 0 0 "[ . 1 . 2]" 1 853 1 67 TYR HB2 1 68 VAL H . . 4.490 4.432 4.196 4.489 . 0 0 "[ . 1 . 2]" 1 854 1 67 TYR HB3 1 68 VAL H . . 4.490 3.936 3.615 4.076 . 0 0 "[ . 1 . 2]" 1 855 1 67 TYR QD 1 68 VAL H . . 5.120 4.782 4.690 4.859 . 0 0 "[ . 1 . 2]" 1 856 1 67 TYR QD 1 71 GLY H . . 4.620 4.576 4.484 4.618 . 0 0 "[ . 1 . 2]" 1 857 1 67 TYR QE 1 71 GLY HA2 . . 4.600 3.752 3.383 4.025 . 0 0 "[ . 1 . 2]" 1 858 1 67 TYR QE 1 71 GLY HA3 . . 4.850 4.724 4.385 4.845 . 0 0 "[ . 1 . 2]" 1 859 1 68 VAL H 1 68 VAL HB . . 3.340 2.633 2.572 2.696 . 0 0 "[ . 1 . 2]" 1 860 1 68 VAL H 1 68 VAL MG1 . . 3.880 3.839 3.820 3.866 . 0 0 "[ . 1 . 2]" 1 861 1 68 VAL H 1 68 VAL MG2 . . 3.180 2.751 2.204 3.047 . 0 0 "[ . 1 . 2]" 1 862 1 68 VAL H 1 69 VAL H . . 3.690 2.397 2.185 2.642 . 0 0 "[ . 1 . 2]" 1 863 1 68 VAL H 1 71 GLY H . . 5.500 3.340 3.201 3.542 . 0 0 "[ . 1 . 2]" 1 864 1 68 VAL H 1 71 GLY HA2 . . 5.360 5.348 5.286 5.360 0.000 7 0 "[ . 1 . 2]" 1 865 1 68 VAL H 1 71 GLY HA3 . . 4.780 4.646 4.507 4.767 . 0 0 "[ . 1 . 2]" 1 866 1 68 VAL HA 1 68 VAL MG1 . . 3.260 2.393 2.227 2.456 . 0 0 "[ . 1 . 2]" 1 867 1 68 VAL HA 1 68 VAL MG2 . . 3.070 2.389 2.227 2.530 . 0 0 "[ . 1 . 2]" 1 868 1 68 VAL HB 1 69 VAL H . . 3.840 2.126 1.901 2.345 . 0 0 "[ . 1 . 2]" 1 869 1 68 VAL HB 1 69 VAL MG2 . . 4.010 3.091 2.942 3.212 . 0 0 "[ . 1 . 2]" 1 870 1 68 VAL MG1 1 69 VAL H . . 4.140 2.998 2.761 3.248 . 0 0 "[ . 1 . 2]" 1 871 1 68 VAL MG1 1 69 VAL HA . . 4.340 3.289 3.115 3.487 . 0 0 "[ . 1 . 2]" 1 872 1 68 VAL MG2 1 69 VAL H . . 4.220 3.660 3.477 3.775 . 0 0 "[ . 1 . 2]" 1 873 1 69 VAL H 1 69 VAL HB . . 3.590 2.566 2.463 2.713 . 0 0 "[ . 1 . 2]" 1 874 1 69 VAL H 1 69 VAL MG1 . . 4.150 3.763 3.751 3.767 . 0 0 "[ . 1 . 2]" 1 875 1 69 VAL H 1 69 VAL MG2 . . 3.350 2.254 2.063 2.438 . 0 0 "[ . 1 . 2]" 1 876 1 69 VAL H 1 70 LEU H . . 3.860 2.647 2.441 2.900 . 0 0 "[ . 1 . 2]" 1 877 1 69 VAL HA 1 69 VAL MG1 . . 3.550 2.341 2.212 2.449 . 0 0 "[ . 1 . 2]" 1 878 1 69 VAL HA 1 69 VAL MG2 . . 3.270 2.297 2.248 2.390 . 0 0 "[ . 1 . 2]" 1 879 1 69 VAL HA 1 72 SER H . . 4.800 4.701 4.544 4.797 . 0 0 "[ . 1 . 2]" 1 880 1 69 VAL HA 1 75 LEU HB2 . . 4.050 3.547 3.240 3.933 . 0 0 "[ . 1 . 2]" 1 881 1 69 VAL HA 1 75 LEU HB3 . . 4.050 2.905 2.672 3.117 . 0 0 "[ . 1 . 2]" 1 882 1 69 VAL HA 1 75 LEU MD1 . . 3.500 2.353 1.988 2.783 . 0 0 "[ . 1 . 2]" 1 883 1 69 VAL HA 1 76 ARG H . . 5.500 5.190 4.627 5.476 . 0 0 "[ . 1 . 2]" 1 884 1 69 VAL HB 1 70 LEU H . . 3.670 2.787 2.444 2.950 . 0 0 "[ . 1 . 2]" 1 885 1 69 VAL HB 1 70 LEU MD2 . . 4.330 3.421 2.262 3.935 . 0 0 "[ . 1 . 2]" 1 886 1 69 VAL MG1 1 70 LEU H . . 4.050 3.630 3.418 3.858 . 0 0 "[ . 1 . 2]" 1 887 1 69 VAL MG1 1 70 LEU HA . . 4.250 3.682 3.493 3.939 . 0 0 "[ . 1 . 2]" 1 888 1 69 VAL MG1 1 75 LEU HB2 . . 4.150 3.638 3.447 4.019 . 0 0 "[ . 1 . 2]" 1 889 1 69 VAL MG1 1 75 LEU QB . . 3.490 2.745 2.522 3.037 . 0 0 "[ . 1 . 2]" 1 890 1 69 VAL MG1 1 75 LEU HB3 . . 4.150 2.847 2.578 3.143 . 0 0 "[ . 1 . 2]" 1 891 1 69 VAL MG1 1 75 LEU MD1 . . 4.200 3.670 3.351 4.031 . 0 0 "[ . 1 . 2]" 1 892 1 69 VAL MG1 1 76 ARG H . . 4.480 4.128 3.692 4.378 . 0 0 "[ . 1 . 2]" 1 893 1 69 VAL MG1 1 76 ARG HA . . 4.020 3.165 2.804 3.629 . 0 0 "[ . 1 . 2]" 1 894 1 69 VAL MG1 1 76 ARG QG . . 4.430 3.792 2.922 4.418 . 0 0 "[ . 1 . 2]" 1 895 1 69 VAL MG1 1 79 TYR H . . 4.300 4.160 3.938 4.300 0.000 7 0 "[ . 1 . 2]" 1 896 1 69 VAL MG1 1 79 TYR HB2 . . 4.070 2.875 2.546 3.114 . 0 0 "[ . 1 . 2]" 1 897 1 69 VAL MG1 1 79 TYR QB . . 3.470 2.761 2.493 2.986 . 0 0 "[ . 1 . 2]" 1 898 1 69 VAL MG1 1 79 TYR HB3 . . 4.070 3.595 2.982 3.926 . 0 0 "[ . 1 . 2]" 1 899 1 69 VAL MG1 1 79 TYR QD . . 4.070 3.535 2.661 3.904 . 0 0 "[ . 1 . 2]" 1 900 1 69 VAL MG1 1 84 LEU MD1 . . 3.540 2.846 2.357 3.369 . 0 0 "[ . 1 . 2]" 1 901 1 69 VAL MG1 1 84 LEU MD2 . . 3.630 2.084 1.773 2.577 . 0 0 "[ . 1 . 2]" 1 902 1 69 VAL MG2 1 70 LEU H . . 3.990 3.878 3.712 3.958 . 0 0 "[ . 1 . 2]" 1 903 1 70 LEU H 1 70 LEU MD1 . . 3.920 3.523 3.370 3.800 . 0 0 "[ . 1 . 2]" 1 904 1 70 LEU H 1 70 LEU MD2 . . 3.930 3.475 2.935 3.714 . 0 0 "[ . 1 . 2]" 1 905 1 70 LEU H 1 70 LEU HG . . 3.480 2.243 1.978 2.487 . 0 0 "[ . 1 . 2]" 1 906 1 70 LEU H 1 71 GLY H . . 3.840 2.154 2.038 2.310 . 0 0 "[ . 1 . 2]" 1 907 1 70 LEU HA 1 70 LEU MD1 . . 4.140 3.981 3.925 4.014 . 0 0 "[ . 1 . 2]" 1 908 1 70 LEU HA 1 70 LEU MD2 . . 3.300 2.386 2.028 2.642 . 0 0 "[ . 1 . 2]" 1 909 1 70 LEU HA 1 72 SER H . . 4.430 3.721 3.406 4.206 . 0 0 "[ . 1 . 2]" 1 910 1 70 LEU HA 1 76 ARG QB . . 4.500 3.522 2.092 4.214 . 0 0 "[ . 1 . 2]" 1 911 1 70 LEU HA 1 76 ARG QG . . 3.980 2.429 1.905 3.931 . 0 0 "[ . 1 . 2]" 1 912 1 70 LEU QB 1 70 LEU MD1 . . 3.150 1.996 1.951 2.081 . 0 0 "[ . 1 . 2]" 1 913 1 70 LEU QB 1 71 GLY H . . 4.240 2.948 2.820 3.138 . 0 0 "[ . 1 . 2]" 1 914 1 70 LEU HB2 1 70 LEU MD1 . . 3.640 2.093 2.007 2.278 . 0 0 "[ . 1 . 2]" 1 915 1 70 LEU HB3 1 70 LEU MD1 . . 3.640 2.548 2.397 2.653 . 0 0 "[ . 1 . 2]" 1 916 1 70 LEU MD1 1 76 ARG QG . . 4.850 4.414 4.011 4.842 . 0 0 "[ . 1 . 2]" 1 917 1 70 LEU MD2 1 76 ARG H . . 4.770 4.632 4.388 4.769 . 0 0 "[ . 1 . 2]" 1 918 1 70 LEU MD2 1 76 ARG HA . . 4.260 3.356 2.634 3.716 . 0 0 "[ . 1 . 2]" 1 919 1 70 LEU MD2 1 76 ARG QD . . 4.680 2.843 2.030 3.928 . 0 0 "[ . 1 . 2]" 1 920 1 70 LEU MD2 1 76 ARG HE . . 5.030 3.842 2.523 5.006 . 0 0 "[ . 1 . 2]" 1 921 1 70 LEU MD2 1 76 ARG QG . . 3.480 2.197 1.816 3.114 . 0 0 "[ . 1 . 2]" 1 922 1 71 GLY H 1 72 SER H . . 3.380 2.926 2.822 3.084 . 0 0 "[ . 1 . 2]" 1 923 1 72 SER H 1 72 SER QB . . 3.080 2.459 2.240 2.665 . 0 0 "[ . 1 . 2]" 1 924 1 72 SER H 1 75 LEU QB . . 4.190 3.324 2.889 3.641 . 0 0 "[ . 1 . 2]" 1 925 1 72 SER H 1 75 LEU MD1 . . 4.230 2.665 2.317 3.341 . 0 0 "[ . 1 . 2]" 1 926 1 72 SER H 1 75 LEU MD2 . . 5.150 5.096 4.991 5.150 . 0 0 "[ . 1 . 2]" 1 927 1 72 SER H 1 75 LEU HG . . 4.820 4.081 3.762 4.334 . 0 0 "[ . 1 . 2]" 1 928 1 72 SER H 1 76 ARG H . . 4.600 4.463 4.252 4.599 . 0 0 "[ . 1 . 2]" 1 929 1 72 SER QB 1 75 LEU H . . 4.220 2.778 2.244 3.280 . 0 0 "[ . 1 . 2]" 1 930 1 72 SER QB 1 75 LEU HB2 . . 4.500 3.041 2.016 3.442 . 0 0 "[ . 1 . 2]" 1 931 1 72 SER QB 1 75 LEU QB . . 3.840 2.973 2.003 3.339 . 0 0 "[ . 1 . 2]" 1 932 1 72 SER QB 1 75 LEU HB3 . . 4.500 4.229 3.463 4.499 . 0 0 "[ . 1 . 2]" 1 933 1 72 SER QB 1 75 LEU MD1 . . 4.040 2.107 1.922 2.883 . 0 0 "[ . 1 . 2]" 1 934 1 72 SER QB 1 75 LEU MD2 . . 4.320 3.536 3.281 3.819 . 0 0 "[ . 1 . 2]" 1 935 1 72 SER QB 1 75 LEU HG . . 4.220 2.101 1.969 2.380 . 0 0 "[ . 1 . 2]" 1 936 1 73 ALA HA 1 76 ARG H . . 4.090 3.843 3.455 4.089 . 0 0 "[ . 1 . 2]" 1 937 1 73 ALA HA 1 76 ARG QB . . 3.930 2.976 2.782 3.541 . 0 0 "[ . 1 . 2]" 1 938 1 73 ALA MB 1 74 THR H . . 3.840 2.433 2.094 2.785 . 0 0 "[ . 1 . 2]" 1 939 1 73 ALA MB 1 74 THR HA . . 4.590 3.680 3.548 3.822 . 0 0 "[ . 1 . 2]" 1 940 1 74 THR H 1 74 THR HB . . 3.420 2.644 2.408 2.823 . 0 0 "[ . 1 . 2]" 1 941 1 74 THR H 1 74 THR MG . . 4.210 3.768 3.742 3.789 . 0 0 "[ . 1 . 2]" 1 942 1 74 THR HA 1 74 THR MG . . 3.160 2.334 2.185 2.443 . 0 0 "[ . 1 . 2]" 1 943 1 74 THR HA 1 76 ARG QB . . 5.340 4.896 4.583 5.096 . 0 0 "[ . 1 . 2]" 1 944 1 74 THR HA 1 77 ARG H . . 3.870 3.679 3.310 3.860 . 0 0 "[ . 1 . 2]" 1 945 1 74 THR HA 1 77 ARG QB . . 3.980 3.131 2.727 3.350 . 0 0 "[ . 1 . 2]" 1 946 1 74 THR HA 1 77 ARG QD . . 4.070 2.680 2.000 4.070 . 0 0 "[ . 1 . 2]" 1 947 1 74 THR HA 1 77 ARG QG . . 5.340 3.730 2.072 4.752 . 0 0 "[ . 1 . 2]" 1 948 1 74 THR HA 1 78 LYS H . . 5.100 4.366 4.037 4.675 . 0 0 "[ . 1 . 2]" 1 949 1 74 THR HB 1 75 LEU H . . 3.540 2.162 1.922 2.361 . 0 0 "[ . 1 . 2]" 1 950 1 74 THR HB 1 75 LEU MD2 . . 4.390 3.750 2.834 4.354 . 0 0 "[ . 1 . 2]" 1 951 1 74 THR HB 1 75 LEU HG . . 4.520 3.361 3.069 3.792 . 0 0 "[ . 1 . 2]" 1 952 1 74 THR MG 1 75 LEU H . . 3.980 3.033 2.704 3.347 . 0 0 "[ . 1 . 2]" 1 953 1 74 THR MG 1 75 LEU MD2 . . 3.600 3.287 2.487 3.600 0.000 7 0 "[ . 1 . 2]" 1 954 1 74 THR MG 1 78 LYS H . . 4.870 3.874 3.608 4.262 . 0 0 "[ . 1 . 2]" 1 955 1 74 THR MG 1 78 LYS QD . . 3.680 2.560 1.949 3.629 . 0 0 "[ . 1 . 2]" 1 956 1 74 THR MG 1 78 LYS HE2 . . 4.600 4.008 2.177 4.597 . 0 0 "[ . 1 . 2]" 1 957 1 74 THR MG 1 78 LYS QE . . 3.840 3.243 2.117 3.836 . 0 0 "[ . 1 . 2]" 1 958 1 74 THR MG 1 78 LYS HE3 . . 4.600 3.632 2.356 4.345 . 0 0 "[ . 1 . 2]" 1 959 1 75 LEU H 1 75 LEU QB . . 3.640 2.596 2.437 2.782 . 0 0 "[ . 1 . 2]" 1 960 1 75 LEU H 1 75 LEU MD1 . . 4.170 3.569 3.377 3.731 . 0 0 "[ . 1 . 2]" 1 961 1 75 LEU H 1 75 LEU MD2 . . 4.030 2.996 2.255 3.373 . 0 0 "[ . 1 . 2]" 1 962 1 75 LEU H 1 75 LEU HG . . 3.600 2.057 1.901 2.362 . 0 0 "[ . 1 . 2]" 1 963 1 75 LEU H 1 76 ARG H . . 3.570 3.090 2.872 3.213 . 0 0 "[ . 1 . 2]" 1 964 1 75 LEU H 1 77 ARG H . . 4.820 4.496 4.326 4.806 . 0 0 "[ . 1 . 2]" 1 965 1 75 LEU H 1 78 LYS HG3 . . 4.230 4.033 3.634 4.229 . 0 0 "[ . 1 . 2]" 1 966 1 75 LEU HA 1 75 LEU MD1 . . 3.990 3.879 3.774 3.948 . 0 0 "[ . 1 . 2]" 1 967 1 75 LEU HA 1 75 LEU MD2 . . 2.980 2.097 1.968 2.441 . 0 0 "[ . 1 . 2]" 1 968 1 75 LEU HA 1 75 LEU HG . . 4.210 3.159 2.974 3.472 . 0 0 "[ . 1 . 2]" 1 969 1 75 LEU HA 1 78 LYS H . . 4.460 3.345 3.160 3.626 . 0 0 "[ . 1 . 2]" 1 970 1 75 LEU HA 1 78 LYS QD . . 4.020 2.666 2.153 3.063 . 0 0 "[ . 1 . 2]" 1 971 1 75 LEU HA 1 79 TYR H . . 4.850 4.047 3.667 4.707 . 0 0 "[ . 1 . 2]" 1 972 1 75 LEU HA 1 84 LEU MD1 . . 4.310 3.010 2.433 3.577 . 0 0 "[ . 1 . 2]" 1 973 1 75 LEU QB 1 76 ARG H . . 4.050 2.199 2.036 2.670 . 0 0 "[ . 1 . 2]" 1 974 1 75 LEU QB 1 84 LEU MD1 . . 3.580 2.589 2.159 3.327 . 0 0 "[ . 1 . 2]" 1 975 1 75 LEU HB2 1 76 ARG H . . 4.680 2.232 2.057 2.723 . 0 0 "[ . 1 . 2]" 1 976 1 75 LEU HB3 1 76 ARG H . . 4.680 3.353 3.182 3.857 . 0 0 "[ . 1 . 2]" 1 977 1 75 LEU MD1 1 76 ARG H . . 4.530 4.144 3.892 4.487 . 0 0 "[ . 1 . 2]" 1 978 1 75 LEU MD1 1 78 LYS QD . . 5.300 4.907 4.350 5.225 . 0 0 "[ . 1 . 2]" 1 979 1 75 LEU MD2 1 76 ARG H . . 4.730 4.538 4.315 4.675 . 0 0 "[ . 1 . 2]" 1 980 1 75 LEU MD2 1 78 LYS H . . 5.130 4.932 4.799 5.125 . 0 0 "[ . 1 . 2]" 1 981 1 75 LEU MD2 1 78 LYS QB . . 4.160 3.620 3.294 3.930 . 0 0 "[ . 1 . 2]" 1 982 1 75 LEU MD2 1 78 LYS QD . . 3.510 2.525 1.978 2.704 . 0 0 "[ . 1 . 2]" 1 983 1 75 LEU MD2 1 78 LYS HE2 . . 5.250 4.708 4.261 5.224 . 0 0 "[ . 1 . 2]" 1 984 1 75 LEU MD2 1 78 LYS QE . . 4.370 4.085 3.694 4.324 . 0 0 "[ . 1 . 2]" 1 985 1 75 LEU MD2 1 78 LYS HE3 . . 5.250 4.574 3.946 5.155 . 0 0 "[ . 1 . 2]" 1 986 1 75 LEU MD2 1 84 LEU MD1 . . 3.140 2.249 1.812 2.800 . 0 0 "[ . 1 . 2]" 1 987 1 75 LEU MD2 1 88 ASP HA . . 5.260 4.887 4.218 5.258 . 0 0 "[ . 1 . 2]" 1 988 1 75 LEU MD2 1 88 ASP QB . . 3.710 3.208 2.455 3.695 . 0 0 "[ . 1 . 2]" 1 989 1 76 ARG H 1 76 ARG HB2 . . 3.780 2.419 2.175 2.757 . 0 0 "[ . 1 . 2]" 1 990 1 76 ARG H 1 76 ARG QB . . 3.140 2.346 2.127 2.670 . 0 0 "[ . 1 . 2]" 1 991 1 76 ARG H 1 76 ARG HB3 . . 3.780 3.311 2.532 3.617 . 0 0 "[ . 1 . 2]" 1 992 1 76 ARG H 1 76 ARG QD . . 5.340 4.084 3.277 4.897 . 0 0 "[ . 1 . 2]" 1 993 1 76 ARG H 1 76 ARG QG . . 4.590 2.912 1.891 3.999 . 0 0 "[ . 1 . 2]" 1 994 1 76 ARG H 1 77 ARG H . . 3.530 3.011 2.659 3.150 . 0 0 "[ . 1 . 2]" 1 995 1 76 ARG H 1 78 LYS H . . 5.050 4.300 4.072 4.531 . 0 0 "[ . 1 . 2]" 1 996 1 76 ARG HA 1 79 TYR H . . 4.280 3.973 3.498 4.214 . 0 0 "[ . 1 . 2]" 1 997 1 76 ARG HA 1 79 TYR HB2 . . 4.480 4.037 3.313 4.373 . 0 0 "[ . 1 . 2]" 1 998 1 76 ARG HA 1 79 TYR QB . . 3.860 3.362 2.898 3.669 . 0 0 "[ . 1 . 2]" 1 999 1 76 ARG HA 1 79 TYR HB3 . . 4.480 3.619 3.199 4.051 . 0 0 "[ . 1 . 2]" 1 1000 1 76 ARG QB 1 76 ARG HE . . 4.750 3.206 2.336 4.187 . 0 0 "[ . 1 . 2]" 1 1001 1 76 ARG QB 1 77 ARG H . . 3.190 2.410 2.064 2.619 . 0 0 "[ . 1 . 2]" 1 1002 1 76 ARG HE 1 76 ARG QG . . 3.640 2.542 2.148 3.285 . 0 0 "[ . 1 . 2]" 1 1003 1 77 ARG H 1 77 ARG QB . . 3.000 2.409 2.164 2.616 . 0 0 "[ . 1 . 2]" 1 1004 1 77 ARG H 1 77 ARG HD2 . . 4.790 3.639 2.263 4.649 . 0 0 "[ . 1 . 2]" 1 1005 1 77 ARG H 1 77 ARG QD . . 3.920 3.001 2.053 3.715 . 0 0 "[ . 1 . 2]" 1 1006 1 77 ARG H 1 77 ARG HD3 . . 4.790 3.438 2.062 4.748 . 0 0 "[ . 1 . 2]" 1 1007 1 77 ARG H 1 77 ARG HG2 . . 4.170 3.487 2.173 4.165 . 0 0 "[ . 1 . 2]" 1 1008 1 77 ARG H 1 77 ARG QG . . 3.660 2.458 1.915 3.496 . 0 0 "[ . 1 . 2]" 1 1009 1 77 ARG H 1 77 ARG HG3 . . 4.170 2.789 1.924 4.110 . 0 0 "[ . 1 . 2]" 1 1010 1 77 ARG HA 1 77 ARG QD . . 4.410 3.722 1.943 4.410 0.000 19 0 "[ . 1 . 2]" 1 1011 1 77 ARG HA 1 77 ARG HG2 . . 3.650 3.115 2.599 3.696 0.046 20 0 "[ . 1 . 2]" 1 1012 1 77 ARG HA 1 77 ARG HG3 . . 3.650 2.873 2.214 3.651 0.001 15 0 "[ . 1 . 2]" 1 1013 1 77 ARG HA 1 80 ASP H . . 4.320 3.556 3.316 3.764 . 0 0 "[ . 1 . 2]" 1 1014 1 77 ARG HA 1 80 ASP HB2 . . 4.190 2.779 2.281 3.564 . 0 0 "[ . 1 . 2]" 1 1015 1 77 ARG HA 1 80 ASP QB . . 3.620 2.604 2.220 3.100 . 0 0 "[ . 1 . 2]" 1 1016 1 77 ARG HA 1 80 ASP HB3 . . 4.190 3.411 2.879 4.145 . 0 0 "[ . 1 . 2]" 1 1017 1 77 ARG HA 1 81 ARG H . . 4.730 4.638 4.468 4.728 . 0 0 "[ . 1 . 2]" 1 1018 1 77 ARG QB 1 77 ARG QD . . 3.040 2.203 2.049 2.877 . 0 0 "[ . 1 . 2]" 1 1019 1 77 ARG QB 1 78 LYS H . . 3.270 2.612 2.330 3.337 0.067 19 0 "[ . 1 . 2]" 1 1020 1 77 ARG QB 1 78 LYS HA . . 5.180 3.911 3.775 4.601 . 0 0 "[ . 1 . 2]" 1 1021 1 77 ARG QD 1 78 LYS H . . 4.470 4.251 3.769 4.470 . 0 0 "[ . 1 . 2]" 1 1022 1 78 LYS H 1 78 LYS QB . . 3.620 2.504 2.339 2.649 . 0 0 "[ . 1 . 2]" 1 1023 1 78 LYS H 1 78 LYS QD . . 4.300 3.973 3.731 4.226 . 0 0 "[ . 1 . 2]" 1 1024 1 78 LYS H 1 78 LYS HG2 . . 3.330 3.039 2.645 3.230 . 0 0 "[ . 1 . 2]" 1 1025 1 78 LYS H 1 78 LYS HG3 . . 3.870 2.252 1.915 2.628 . 0 0 "[ . 1 . 2]" 1 1026 1 78 LYS H 1 79 TYR H . . 3.550 2.976 2.685 3.142 . 0 0 "[ . 1 . 2]" 1 1027 1 78 LYS H 1 80 ASP H . . 5.360 4.130 3.838 4.489 . 0 0 "[ . 1 . 2]" 1 1028 1 78 LYS H 1 84 LEU MD1 . . 5.240 4.784 4.532 5.106 . 0 0 "[ . 1 . 2]" 1 1029 1 78 LYS HA 1 78 LYS HG2 . . 3.760 2.444 2.244 2.602 . 0 0 "[ . 1 . 2]" 1 1030 1 78 LYS HA 1 78 LYS HG3 . . 3.800 3.301 3.127 3.467 . 0 0 "[ . 1 . 2]" 1 1031 1 78 LYS HA 1 81 ARG H . . 4.150 3.580 3.228 3.826 . 0 0 "[ . 1 . 2]" 1 1032 1 78 LYS HA 1 81 ARG QB . . 4.410 3.603 2.572 4.297 . 0 0 "[ . 1 . 2]" 1 1033 1 78 LYS HA 1 83 LEU H . . 4.260 3.461 3.195 3.785 . 0 0 "[ . 1 . 2]" 1 1034 1 78 LYS HA 1 83 LEU HB2 . . 4.040 2.329 2.088 2.578 . 0 0 "[ . 1 . 2]" 1 1035 1 78 LYS HA 1 83 LEU HB3 . . 4.280 3.931 3.634 4.186 . 0 0 "[ . 1 . 2]" 1 1036 1 78 LYS HA 1 83 LEU MD1 . . 3.470 2.074 1.834 2.301 . 0 0 "[ . 1 . 2]" 1 1037 1 78 LYS HA 1 83 LEU HG . . 4.500 3.716 3.463 3.945 . 0 0 "[ . 1 . 2]" 1 1038 1 78 LYS HA 1 84 LEU H . . 4.900 4.182 3.871 4.564 . 0 0 "[ . 1 . 2]" 1 1039 1 78 LYS QB 1 78 LYS QD . . 3.390 2.142 1.994 2.238 . 0 0 "[ . 1 . 2]" 1 1040 1 78 LYS QB 1 78 LYS QE . . 3.760 2.793 2.064 3.678 . 0 0 "[ . 1 . 2]" 1 1041 1 78 LYS QB 1 83 LEU HB2 . . 4.210 2.195 1.992 2.429 . 0 0 "[ . 1 . 2]" 1 1042 1 78 LYS QB 1 84 LEU H . . 4.340 2.818 2.560 3.078 . 0 0 "[ . 1 . 2]" 1 1043 1 78 LYS QB 1 84 LEU MD1 . . 3.860 2.610 2.315 2.959 . 0 0 "[ . 1 . 2]" 1 1044 1 78 LYS QB 1 84 LEU MD2 . . 4.390 4.010 3.241 4.343 . 0 0 "[ . 1 . 2]" 1 1045 1 78 LYS QB 1 85 SER H . . 5.340 4.968 4.667 5.333 . 0 0 "[ . 1 . 2]" 1 1046 1 78 LYS HB2 1 79 TYR H . . 4.070 2.222 2.024 2.596 . 0 0 "[ . 1 . 2]" 1 1047 1 78 LYS HB2 1 84 LEU MD1 . . 4.490 2.746 2.468 3.158 . 0 0 "[ . 1 . 2]" 1 1048 1 78 LYS HB3 1 79 TYR H . . 4.070 3.277 3.058 3.721 . 0 0 "[ . 1 . 2]" 1 1049 1 78 LYS HB3 1 84 LEU MD1 . . 4.490 3.296 2.801 3.859 . 0 0 "[ . 1 . 2]" 1 1050 1 78 LYS QD 1 83 LEU MD1 . . 5.500 4.267 3.569 4.783 . 0 0 "[ . 1 . 2]" 1 1051 1 78 LYS QD 1 84 LEU HA . . 4.550 3.411 2.869 3.821 . 0 0 "[ . 1 . 2]" 1 1052 1 78 LYS QD 1 84 LEU MD1 . . 3.720 2.698 1.980 3.291 . 0 0 "[ . 1 . 2]" 1 1053 1 78 LYS QD 1 85 SER H . . 5.500 4.954 4.264 5.470 . 0 0 "[ . 1 . 2]" 1 1054 1 78 LYS QE 1 78 LYS HG2 . . 3.360 2.288 2.078 2.713 . 0 0 "[ . 1 . 2]" 1 1055 1 78 LYS QE 1 78 LYS HG3 . . 3.450 3.081 2.579 3.428 . 0 0 "[ . 1 . 2]" 1 1056 1 78 LYS QE 1 83 LEU HB2 . . 4.310 3.296 2.047 4.238 . 0 0 "[ . 1 . 2]" 1 1057 1 78 LYS QE 1 83 LEU HB3 . . 4.570 3.231 1.982 4.091 . 0 0 "[ . 1 . 2]" 1 1058 1 78 LYS QE 1 83 LEU MD1 . . 3.970 3.414 2.730 3.762 . 0 0 "[ . 1 . 2]" 1 1059 1 78 LYS HE2 1 78 LYS HG2 . . 3.880 2.766 2.096 3.624 . 0 0 "[ . 1 . 2]" 1 1060 1 78 LYS HE2 1 83 LEU MD1 . . 4.630 3.946 3.049 4.601 . 0 0 "[ . 1 . 2]" 1 1061 1 78 LYS HE3 1 78 LYS HG2 . . 3.880 2.749 2.164 3.589 . 0 0 "[ . 1 . 2]" 1 1062 1 78 LYS HE3 1 83 LEU MD1 . . 4.630 4.099 2.760 4.628 . 0 0 "[ . 1 . 2]" 1 1063 1 78 LYS HG2 1 79 TYR H . . 5.170 4.718 4.583 4.874 . 0 0 "[ . 1 . 2]" 1 1064 1 78 LYS HG3 1 79 TYR H . . 4.820 4.140 3.942 4.458 . 0 0 "[ . 1 . 2]" 1 1065 1 78 LYS HG3 1 83 LEU MD1 . . 4.340 4.236 3.797 4.340 . 0 0 "[ . 1 . 2]" 1 1066 1 79 TYR H 1 79 TYR HB2 . . 3.670 2.341 2.242 2.420 . 0 0 "[ . 1 . 2]" 1 1067 1 79 TYR H 1 79 TYR HB3 . . 3.670 2.748 2.646 2.912 . 0 0 "[ . 1 . 2]" 1 1068 1 79 TYR H 1 79 TYR QD . . 4.170 4.089 3.950 4.170 0.000 1 0 "[ . 1 . 2]" 1 1069 1 79 TYR H 1 80 ASP H . . 3.740 2.820 2.694 2.949 . 0 0 "[ . 1 . 2]" 1 1070 1 79 TYR H 1 81 ARG H . . 4.900 4.363 3.859 4.748 . 0 0 "[ . 1 . 2]" 1 1071 1 79 TYR H 1 83 LEU HB2 . . 5.500 4.721 4.273 5.184 . 0 0 "[ . 1 . 2]" 1 1072 1 79 TYR H 1 84 LEU HB3 . . 5.120 3.897 3.076 4.795 . 0 0 "[ . 1 . 2]" 1 1073 1 79 TYR H 1 84 LEU MD1 . . 4.300 3.613 3.253 3.955 . 0 0 "[ . 1 . 2]" 1 1074 1 79 TYR HA 1 79 TYR QD . . 3.830 2.427 2.000 2.838 . 0 0 "[ . 1 . 2]" 1 1075 1 79 TYR HA 1 82 GLY H . . 4.090 3.205 2.856 3.563 . 0 0 "[ . 1 . 2]" 1 1076 1 79 TYR HA 1 83 LEU H . . 4.370 3.572 2.984 4.101 . 0 0 "[ . 1 . 2]" 1 1077 1 79 TYR HA 1 84 LEU H . . 4.070 2.694 2.102 3.229 . 0 0 "[ . 1 . 2]" 1 1078 1 79 TYR HA 1 84 LEU HB2 . . 4.440 2.859 2.399 3.107 . 0 0 "[ . 1 . 2]" 1 1079 1 79 TYR HA 1 84 LEU HB3 . . 4.210 2.578 2.024 3.157 . 0 0 "[ . 1 . 2]" 1 1080 1 79 TYR HA 1 84 LEU MD1 . . 4.650 4.429 4.067 4.610 . 0 0 "[ . 1 . 2]" 1 1081 1 79 TYR HA 1 84 LEU MD2 . . 4.220 3.480 3.088 3.763 . 0 0 "[ . 1 . 2]" 1 1082 1 79 TYR QB 1 80 ASP H . . 3.720 2.590 2.335 2.894 . 0 0 "[ . 1 . 2]" 1 1083 1 79 TYR QB 1 84 LEU MD1 . . 4.730 3.535 2.898 3.975 . 0 0 "[ . 1 . 2]" 1 1084 1 79 TYR QB 1 84 LEU MD2 . . 4.130 2.323 1.961 3.090 . 0 0 "[ . 1 . 2]" 1 1085 1 79 TYR QD 1 80 ASP H . . 4.280 4.038 3.700 4.274 . 0 0 "[ . 1 . 2]" 1 1086 1 79 TYR QD 1 84 LEU H . . 4.610 4.057 3.256 4.558 . 0 0 "[ . 1 . 2]" 1 1087 1 79 TYR QD 1 84 LEU HB2 . . 4.870 3.436 2.771 3.709 . 0 0 "[ . 1 . 2]" 1 1088 1 79 TYR QD 1 84 LEU HB3 . . 4.460 2.205 1.999 2.848 . 0 0 "[ . 1 . 2]" 1 1089 1 79 TYR QD 1 84 LEU MD1 . . 4.430 4.254 3.823 4.417 . 0 0 "[ . 1 . 2]" 1 1090 1 79 TYR QD 1 84 LEU MD2 . . 3.640 2.149 1.887 2.801 . 0 0 "[ . 1 . 2]" 1 1091 1 79 TYR QE 1 84 LEU HB3 . . 4.640 4.243 3.968 4.581 . 0 0 "[ . 1 . 2]" 1 1092 1 80 ASP H 1 80 ASP HB2 . . 3.900 2.289 2.195 2.494 . 0 0 "[ . 1 . 2]" 1 1093 1 80 ASP H 1 80 ASP QB . . 3.330 2.206 2.136 2.275 . 0 0 "[ . 1 . 2]" 1 1094 1 80 ASP H 1 80 ASP HB3 . . 3.900 3.022 2.567 3.562 . 0 0 "[ . 1 . 2]" 1 1095 1 80 ASP H 1 81 ARG H . . 3.640 2.777 2.550 3.025 . 0 0 "[ . 1 . 2]" 1 1096 1 80 ASP H 1 81 ARG QG . . 4.400 4.128 3.782 4.347 . 0 0 "[ . 1 . 2]" 1 1097 1 80 ASP HA 1 81 ARG QD . . 4.700 4.480 4.175 4.699 . 0 0 "[ . 1 . 2]" 1 1098 1 80 ASP QB 1 81 ARG H . . 3.580 2.611 2.226 3.078 . 0 0 "[ . 1 . 2]" 1 1099 1 80 ASP HB2 1 81 ARG H . . 4.090 3.451 2.752 3.971 . 0 0 "[ . 1 . 2]" 1 1100 1 80 ASP HB3 1 81 ARG H . . 4.090 2.851 2.246 3.663 . 0 0 "[ . 1 . 2]" 1 1101 1 81 ARG H 1 81 ARG HB2 . . 4.100 2.753 2.477 2.857 . 0 0 "[ . 1 . 2]" 1 1102 1 81 ARG H 1 81 ARG QB . . 3.420 2.676 2.440 2.772 . 0 0 "[ . 1 . 2]" 1 1103 1 81 ARG H 1 81 ARG HB3 . . 4.100 3.665 3.592 3.745 . 0 0 "[ . 1 . 2]" 1 1104 1 81 ARG H 1 81 ARG QD . . 3.810 3.107 2.536 3.564 . 0 0 "[ . 1 . 2]" 1 1105 1 81 ARG H 1 81 ARG QG . . 3.070 2.116 1.891 2.910 . 0 0 "[ . 1 . 2]" 1 1106 1 81 ARG H 1 83 LEU H . . 4.370 3.396 3.226 3.619 . 0 0 "[ . 1 . 2]" 1 1107 1 81 ARG H 1 83 LEU MD1 . . 4.560 3.589 2.932 4.251 . 0 0 "[ . 1 . 2]" 1 1108 1 81 ARG H 1 83 LEU HG . . 4.470 4.110 3.535 4.422 . 0 0 "[ . 1 . 2]" 1 1109 1 81 ARG HA 1 81 ARG QD . . 3.850 2.340 1.926 2.529 . 0 0 "[ . 1 . 2]" 1 1110 1 81 ARG HA 1 81 ARG HG2 . . 3.940 3.330 3.188 3.493 . 0 0 "[ . 1 . 2]" 1 1111 1 81 ARG HA 1 81 ARG QG . . 3.400 3.147 2.998 3.257 . 0 0 "[ . 1 . 2]" 1 1112 1 81 ARG HA 1 81 ARG HG3 . . 3.940 3.877 3.647 3.943 0.003 2 0 "[ . 1 . 2]" 1 1113 1 81 ARG HA 1 83 LEU MD1 . . 4.880 4.587 4.341 4.858 . 0 0 "[ . 1 . 2]" 1 1114 1 81 ARG QB 1 81 ARG QD . . 3.360 2.585 2.184 2.852 . 0 0 "[ . 1 . 2]" 1 1115 1 81 ARG QB 1 83 LEU MD1 . . 3.540 2.056 1.855 2.367 . 0 0 "[ . 1 . 2]" 1 1116 1 81 ARG QB 1 83 LEU HG . . 3.790 2.023 1.963 2.136 . 0 0 "[ . 1 . 2]" 1 1117 1 81 ARG HB2 1 82 GLY H . . 4.930 3.623 3.125 3.954 . 0 0 "[ . 1 . 2]" 1 1118 1 81 ARG HB2 1 83 LEU MD1 . . 4.190 2.094 1.914 2.398 . 0 0 "[ . 1 . 2]" 1 1119 1 81 ARG HB2 1 83 LEU HG . . 4.330 2.062 1.999 2.385 . 0 0 "[ . 1 . 2]" 1 1120 1 81 ARG HB3 1 82 GLY H . . 4.930 4.436 4.223 4.569 . 0 0 "[ . 1 . 2]" 1 1121 1 81 ARG HB3 1 83 LEU MD1 . . 4.190 3.161 2.422 3.660 . 0 0 "[ . 1 . 2]" 1 1122 1 81 ARG HB3 1 83 LEU HG . . 4.330 3.273 2.269 3.686 . 0 0 "[ . 1 . 2]" 1 1123 1 81 ARG QD 1 82 GLY H . . 4.760 4.607 4.360 4.742 . 0 0 "[ . 1 . 2]" 1 1124 1 81 ARG QD 1 83 LEU MD1 . . 4.090 4.066 3.889 4.091 0.001 15 0 "[ . 1 . 2]" 1 1125 1 81 ARG QG 1 82 GLY H . . 5.150 4.140 3.796 4.659 . 0 0 "[ . 1 . 2]" 1 1126 1 81 ARG QG 1 83 LEU MD1 . . 4.130 2.386 2.241 2.729 . 0 0 "[ . 1 . 2]" 1 1127 1 82 GLY H 1 83 LEU H . . 3.390 2.520 2.212 2.745 . 0 0 "[ . 1 . 2]" 1 1128 1 82 GLY H 1 83 LEU HG . . 4.480 4.114 3.749 4.419 . 0 0 "[ . 1 . 2]" 1 1129 1 82 GLY H 1 84 LEU H . . 4.270 3.903 3.556 4.264 . 0 0 "[ . 1 . 2]" 1 1130 1 82 GLY QA 1 84 LEU H . . 5.030 3.338 3.046 3.661 . 0 0 "[ . 1 . 2]" 1 1131 1 83 LEU H 1 83 LEU HB2 . . 3.530 2.526 2.434 2.596 . 0 0 "[ . 1 . 2]" 1 1132 1 83 LEU H 1 83 LEU MD1 . . 3.850 3.286 3.147 3.526 . 0 0 "[ . 1 . 2]" 1 1133 1 83 LEU H 1 83 LEU MD2 . . 3.810 3.730 3.491 3.813 0.003 15 0 "[ . 1 . 2]" 1 1134 1 83 LEU H 1 83 LEU HG . . 3.260 2.356 2.139 2.518 . 0 0 "[ . 1 . 2]" 1 1135 1 83 LEU H 1 84 LEU H . . 3.320 2.365 2.174 2.550 . 0 0 "[ . 1 . 2]" 1 1136 1 83 LEU H 1 84 LEU HB3 . . 4.830 4.734 4.484 4.830 . 0 0 "[ . 1 . 2]" 1 1137 1 83 LEU HA 1 83 LEU MD1 . . 4.110 3.947 3.918 3.972 . 0 0 "[ . 1 . 2]" 1 1138 1 83 LEU HA 1 83 LEU MD2 . . 2.920 2.448 2.236 2.641 . 0 0 "[ . 1 . 2]" 1 1139 1 83 LEU HB2 1 83 LEU MD1 . . 3.620 2.099 1.987 2.167 . 0 0 "[ . 1 . 2]" 1 1140 1 83 LEU HB2 1 83 LEU MD2 . . 3.330 3.139 3.117 3.179 . 0 0 "[ . 1 . 2]" 1 1141 1 83 LEU HB3 1 83 LEU MD2 . . 3.150 2.159 2.033 2.242 . 0 0 "[ . 1 . 2]" 1 1142 1 83 LEU HB3 1 84 LEU H . . 4.440 4.073 3.818 4.257 . 0 0 "[ . 1 . 2]" 1 1143 1 83 LEU HG 1 84 LEU H . . 4.930 4.400 4.283 4.536 . 0 0 "[ . 1 . 2]" 1 1144 1 84 LEU H 1 84 LEU HB2 . . 3.470 2.494 2.246 2.656 . 0 0 "[ . 1 . 2]" 1 1145 1 84 LEU H 1 84 LEU HB3 . . 3.450 2.579 2.515 2.795 . 0 0 "[ . 1 . 2]" 1 1146 1 84 LEU H 1 84 LEU MD1 . . 4.220 4.029 3.739 4.186 . 0 0 "[ . 1 . 2]" 1 1147 1 84 LEU H 1 84 LEU MD2 . . 4.410 4.245 4.176 4.292 . 0 0 "[ . 1 . 2]" 1 1148 1 84 LEU H 1 85 SER H . . 4.650 4.521 4.441 4.631 . 0 0 "[ . 1 . 2]" 1 1149 1 84 LEU HA 1 84 LEU MD1 . . 3.570 2.475 2.176 2.637 . 0 0 "[ . 1 . 2]" 1 1150 1 84 LEU HA 1 84 LEU MD2 . . 3.910 3.895 3.854 3.912 0.002 6 0 "[ . 1 . 2]" 1 1151 1 84 LEU HA 1 85 SER H . . 3.240 2.169 2.139 2.296 . 0 0 "[ . 1 . 2]" 1 1152 1 84 LEU HB2 1 84 LEU MD2 . . 3.670 2.615 2.500 2.691 . 0 0 "[ . 1 . 2]" 1 1153 1 84 LEU HB2 1 85 SER H . . 4.430 4.267 4.022 4.399 . 0 0 "[ . 1 . 2]" 1 1154 1 84 LEU HB3 1 84 LEU MD2 . . 3.660 2.146 1.988 2.255 . 0 0 "[ . 1 . 2]" 1 1155 1 84 LEU HB3 1 85 SER H . . 4.600 4.082 3.653 4.221 . 0 0 "[ . 1 . 2]" 1 1156 1 84 LEU MD1 1 85 SER H . . 3.920 3.328 2.822 3.629 . 0 0 "[ . 1 . 2]" 1 1157 1 84 LEU MD1 1 88 ASP HA . . 4.670 4.422 4.250 4.641 . 0 0 "[ . 1 . 2]" 1 1158 1 84 LEU MD1 1 88 ASP HB2 . . 3.980 2.426 2.067 2.964 . 0 0 "[ . 1 . 2]" 1 1159 1 84 LEU MD1 1 88 ASP HB3 . . 3.980 2.330 1.975 2.826 . 0 0 "[ . 1 . 2]" 1 1160 1 84 LEU MD1 1 89 LEU H . . 5.500 4.326 3.712 5.404 . 0 0 "[ . 1 . 2]" 1 1161 1 84 LEU MD2 1 85 SER H . . 4.480 4.286 3.736 4.476 . 0 0 "[ . 1 . 2]" 1 1162 1 84 LEU MD2 1 88 ASP HB2 . . 4.620 3.817 3.102 4.406 . 0 0 "[ . 1 . 2]" 1 1163 1 84 LEU MD2 1 88 ASP QB . . 3.960 3.366 2.609 3.881 . 0 0 "[ . 1 . 2]" 1 1164 1 84 LEU MD2 1 88 ASP HB3 . . 4.620 3.888 2.665 4.599 . 0 0 "[ . 1 . 2]" 1 1165 1 84 LEU HG 1 85 SER H . . 3.980 2.727 2.043 3.009 . 0 0 "[ . 1 . 2]" 1 1166 1 84 LEU HG 1 88 ASP QB . . 4.810 2.616 1.999 3.033 . 0 0 "[ . 1 . 2]" 1 1167 1 85 SER H 1 85 SER HB2 . . 4.150 2.779 2.263 3.907 . 0 0 "[ . 1 . 2]" 1 1168 1 85 SER H 1 85 SER QB . . 3.570 2.553 2.239 3.252 . 0 0 "[ . 1 . 2]" 1 1169 1 85 SER H 1 85 SER HB3 . . 4.150 3.347 2.651 3.789 . 0 0 "[ . 1 . 2]" 1 1170 1 85 SER H 1 88 ASP H . . 4.470 3.649 3.299 4.289 . 0 0 "[ . 1 . 2]" 1 1171 1 85 SER H 1 88 ASP HB2 . . 4.670 3.201 2.582 4.663 . 0 0 "[ . 1 . 2]" 1 1172 1 85 SER H 1 88 ASP QB . . 3.800 3.049 2.553 3.730 . 0 0 "[ . 1 . 2]" 1 1173 1 85 SER H 1 88 ASP HB3 . . 4.670 4.322 3.044 4.646 . 0 0 "[ . 1 . 2]" 1 1174 1 85 SER QB 1 86 ASP H . . 3.620 2.663 1.955 3.377 . 0 0 "[ . 1 . 2]" 1 1175 1 85 SER QB 1 87 GLU H . . 3.790 2.777 2.347 3.200 . 0 0 "[ . 1 . 2]" 1 1176 1 85 SER HB2 1 86 ASP H . . 4.360 3.607 2.039 4.083 . 0 0 "[ . 1 . 2]" 1 1177 1 85 SER HB3 1 86 ASP H . . 4.360 2.948 1.970 3.722 . 0 0 "[ . 1 . 2]" 1 1178 1 86 ASP H 1 86 ASP QB . . 3.520 2.483 2.170 2.714 . 0 0 "[ . 1 . 2]" 1 1179 1 86 ASP H 1 87 GLU H . . 3.810 2.863 2.681 3.054 . 0 0 "[ . 1 . 2]" 1 1180 1 86 ASP HA 1 89 LEU H . . 3.940 3.216 2.965 3.566 . 0 0 "[ . 1 . 2]" 1 1181 1 86 ASP HA 1 89 LEU QB . . 3.750 2.750 2.047 3.617 . 0 0 "[ . 1 . 2]" 1 1182 1 86 ASP HA 1 89 LEU MD1 . . 3.780 2.124 1.933 2.423 . 0 0 "[ . 1 . 2]" 1 1183 1 86 ASP HA 1 89 LEU MD2 . . 4.660 4.389 4.056 4.661 0.001 19 0 "[ . 1 . 2]" 1 1184 1 86 ASP HA 1 89 LEU HG . . 4.340 3.313 2.774 3.883 . 0 0 "[ . 1 . 2]" 1 1185 1 86 ASP QB 1 87 GLU H . . 3.560 2.872 2.436 3.551 . 0 0 "[ . 1 . 2]" 1 1186 1 86 ASP QB 1 89 LEU MD1 . . 4.520 3.298 2.423 3.760 . 0 0 "[ . 1 . 2]" 1 1187 1 87 GLU H 1 87 GLU QB . . 3.110 2.317 2.181 2.501 . 0 0 "[ . 1 . 2]" 1 1188 1 87 GLU H 1 87 GLU QG . . 4.140 3.279 2.131 4.079 . 0 0 "[ . 1 . 2]" 1 1189 1 87 GLU H 1 88 ASP H . . 3.450 2.875 2.480 3.040 . 0 0 "[ . 1 . 2]" 1 1190 1 87 GLU H 1 89 LEU H . . 4.720 4.418 4.020 4.664 . 0 0 "[ . 1 . 2]" 1 1191 1 87 GLU HA 1 87 GLU QG . . 3.540 2.457 2.185 2.881 . 0 0 "[ . 1 . 2]" 1 1192 1 87 GLU HA 1 90 ARG H . . 4.130 3.943 3.361 4.126 . 0 0 "[ . 1 . 2]" 1 1193 1 87 GLU HA 1 90 ARG QB . . 5.020 4.285 3.475 4.649 . 0 0 "[ . 1 . 2]" 1 1194 1 87 GLU HA 1 90 ARG QD . . 4.500 2.974 1.994 3.976 . 0 0 "[ . 1 . 2]" 1 1195 1 87 GLU HA 1 90 ARG HG2 . . 4.360 2.665 2.218 4.294 . 0 0 "[ . 1 . 2]" 1 1196 1 87 GLU HA 1 90 ARG QG . . 3.830 2.403 1.927 2.797 . 0 0 "[ . 1 . 2]" 1 1197 1 87 GLU HA 1 90 ARG HG3 . . 4.360 3.062 2.016 4.360 . 15 0 "[ . 1 . 2]" 1 1198 1 87 GLU QB 1 88 ASP H . . 3.800 2.634 2.364 2.868 . 0 0 "[ . 1 . 2]" 1 1199 1 87 GLU QB 1 88 ASP HA . . 4.470 4.006 3.775 4.377 . 0 0 "[ . 1 . 2]" 1 1200 1 87 GLU QG 1 88 ASP H . . 4.700 4.063 3.328 4.526 . 0 0 "[ . 1 . 2]" 1 1201 1 87 GLU QG 1 90 ARG QD . . 4.720 3.890 3.197 4.681 . 0 0 "[ . 1 . 2]" 1 1202 1 88 ASP H 1 88 ASP HB2 . . 3.720 2.452 2.184 3.534 . 0 0 "[ . 1 . 2]" 1 1203 1 88 ASP H 1 88 ASP QB . . 3.190 2.330 2.154 2.571 . 0 0 "[ . 1 . 2]" 1 1204 1 88 ASP H 1 88 ASP HB3 . . 3.720 3.344 2.248 3.609 . 0 0 "[ . 1 . 2]" 1 1205 1 88 ASP H 1 89 LEU H . . 3.310 2.639 2.343 3.033 . 0 0 "[ . 1 . 2]" 1 1206 1 88 ASP H 1 89 LEU QB . . 5.360 4.517 4.164 4.939 . 0 0 "[ . 1 . 2]" 1 1207 1 88 ASP H 1 89 LEU MD1 . . 5.160 4.870 4.402 5.156 . 0 0 "[ . 1 . 2]" 1 1208 1 88 ASP H 1 90 ARG QG . . 4.550 4.351 3.962 4.554 0.004 18 0 "[ . 1 . 2]" 1 1209 1 88 ASP QB 1 89 LEU H . . 3.570 2.522 2.192 3.391 . 0 0 "[ . 1 . 2]" 1 1210 1 88 ASP QB 1 89 LEU MD1 . . 4.710 4.540 4.267 4.717 0.007 19 0 "[ . 1 . 2]" 1 1211 1 88 ASP HB2 1 89 LEU H . . 4.220 2.853 2.370 4.039 . 0 0 "[ . 1 . 2]" 1 1212 1 88 ASP HB3 1 89 LEU H . . 4.220 3.265 2.221 3.858 . 0 0 "[ . 1 . 2]" 1 1213 1 89 LEU H 1 89 LEU QB . . 2.960 2.405 2.228 2.618 . 0 0 "[ . 1 . 2]" 1 1214 1 89 LEU H 1 89 LEU MD1 . . 3.740 3.337 3.181 3.510 . 0 0 "[ . 1 . 2]" 1 1215 1 89 LEU H 1 89 LEU MD2 . . 4.300 3.701 3.223 4.076 . 0 0 "[ . 1 . 2]" 1 1216 1 89 LEU H 1 89 LEU HG . . 3.770 2.384 2.029 2.846 . 0 0 "[ . 1 . 2]" 1 1217 1 89 LEU H 1 90 ARG H . . 3.260 2.922 2.647 3.160 . 0 0 "[ . 1 . 2]" 1 1218 1 89 LEU H 1 91 GLY H . . 4.830 4.088 3.675 4.751 . 0 0 "[ . 1 . 2]" 1 1219 1 89 LEU HA 1 89 LEU MD2 . . 3.160 2.334 1.982 2.696 . 0 0 "[ . 1 . 2]" 1 1220 1 89 LEU HA 1 89 LEU HG . . 4.010 2.792 2.477 3.058 . 0 0 "[ . 1 . 2]" 1 1221 1 89 LEU QB 1 89 LEU MD2 . . 3.210 2.148 1.998 2.300 . 0 0 "[ . 1 . 2]" 1 1222 1 89 LEU QB 1 90 ARG H . . 3.490 2.331 1.968 2.664 . 0 0 "[ . 1 . 2]" 1 1223 1 89 LEU QB 1 90 ARG HA . . 4.200 3.824 3.683 3.951 . 0 0 "[ . 1 . 2]" 1 1224 1 89 LEU MD1 1 90 ARG H . . 4.460 4.123 3.544 4.461 0.001 15 0 "[ . 1 . 2]" 1 1225 1 89 LEU HG 1 90 ARG H . . 4.920 4.439 3.906 4.774 . 0 0 "[ . 1 . 2]" 1 1226 1 90 ARG H 1 90 ARG HB2 . . 3.730 3.509 2.635 3.650 . 0 0 "[ . 1 . 2]" 1 1227 1 90 ARG H 1 90 ARG QB . . 3.090 2.543 2.394 2.636 . 0 0 "[ . 1 . 2]" 1 1228 1 90 ARG H 1 90 ARG HB3 . . 3.730 2.695 2.431 3.610 . 0 0 "[ . 1 . 2]" 1 1229 1 90 ARG H 1 90 ARG QD . . 4.660 3.885 3.227 4.331 . 0 0 "[ . 1 . 2]" 1 1230 1 90 ARG H 1 90 ARG HG2 . . 4.070 2.387 1.902 3.362 . 0 0 "[ . 1 . 2]" 1 1231 1 90 ARG H 1 90 ARG QG . . 3.230 2.101 1.891 2.384 . 0 0 "[ . 1 . 2]" 1 1232 1 90 ARG H 1 90 ARG HG3 . . 4.070 2.939 2.054 3.625 . 0 0 "[ . 1 . 2]" 1 1233 1 90 ARG H 1 91 GLY H . . 3.400 2.613 2.261 3.138 . 0 0 "[ . 1 . 2]" 1 1234 1 90 ARG HA 1 90 ARG QD . . 4.560 4.120 2.961 4.525 . 0 0 "[ . 1 . 2]" 1 1235 1 90 ARG HA 1 90 ARG QG . . 3.520 3.281 2.354 3.433 . 0 0 "[ . 1 . 2]" 1 1236 1 90 ARG QB 1 90 ARG QD . . 3.000 2.201 2.057 2.471 . 0 0 "[ . 1 . 2]" 1 1237 1 90 ARG HB2 1 91 GLY H . . 4.130 3.648 2.270 4.057 . 0 0 "[ . 1 . 2]" 1 1238 1 90 ARG HB3 1 91 GLY H . . 4.130 3.896 3.383 4.103 . 0 0 "[ . 1 . 2]" 1 1239 1 90 ARG QG 1 91 GLY H . . 4.180 2.273 1.873 3.962 . 0 0 "[ . 1 . 2]" 1 1240 1 90 ARG HG2 1 91 GLY H . . 4.840 3.047 1.977 4.749 . 0 0 "[ . 1 . 2]" 1 1241 1 90 ARG HG3 1 91 GLY H . . 4.840 2.444 1.946 4.506 . 0 0 "[ . 1 . 2]" 1 1242 1 91 GLY H 1 92 PRO QD . . 4.340 3.696 2.391 4.325 . 0 0 "[ . 1 . 2]" 1 1243 1 91 GLY QA 1 92 PRO QD . . 2.880 1.968 1.909 2.033 . 0 0 "[ . 1 . 2]" 1 1244 1 91 GLY QA 1 92 PRO QG . . 4.070 3.703 3.659 3.794 . 0 0 "[ . 1 . 2]" 1 1245 1 92 PRO QB 1 93 GLY QA . . 5.020 3.911 3.482 4.399 . 0 0 "[ . 1 . 2]" 1 1246 1 92 PRO QG 1 93 GLY QA . . 5.150 4.305 3.681 4.848 . 0 0 "[ . 1 . 2]" 1 stop_ save_
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