NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
555583 | 2lov | 18226 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lov 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 780 _Distance_constraint_stats_list.Viol_count 1416 _Distance_constraint_stats_list.Viol_total 989.411 _Distance_constraint_stats_list.Viol_max 0.258 _Distance_constraint_stats_list.Viol_rms 0.0070 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0008 _Distance_constraint_stats_list.Viol_average_violations_only 0.0175 _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 1 MET 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]" 1 2 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]" 1 3 GLU 0.003 0.001 30 0 "[ . 1 . 2 . 3 . 4]" 1 4 GLY 0.006 0.003 30 0 "[ . 1 . 2 . 3 . 4]" 1 5 GLY 0.003 0.003 30 0 "[ . 1 . 2 . 3 . 4]" 1 6 ASP 0.042 0.030 30 0 "[ . 1 . 2 . 3 . 4]" 1 7 PHE 0.314 0.068 40 0 "[ . 1 . 2 . 3 . 4]" 1 8 ASP 0.962 0.158 26 0 "[ . 1 . 2 . 3 . 4]" 1 9 ASN 1.196 0.258 31 0 "[ . 1 . 2 . 3 . 4]" 1 10 TYR 1.372 0.162 35 0 "[ . 1 . 2 . 3 . 4]" 1 11 TYR 1.447 0.176 31 0 "[ . 1 . 2 . 3 . 4]" 1 12 GLY 0.875 0.121 26 0 "[ . 1 . 2 . 3 . 4]" 1 13 ALA 0.966 0.176 31 0 "[ . 1 . 2 . 3 . 4]" 1 14 ASP 0.263 0.064 23 0 "[ . 1 . 2 . 3 . 4]" 1 15 ASN 0.078 0.018 40 0 "[ . 1 . 2 . 3 . 4]" 1 16 GLN 0.213 0.041 26 0 "[ . 1 . 2 . 3 . 4]" 1 17 SER 0.622 0.088 8 0 "[ . 1 . 2 . 3 . 4]" 1 18 GLU 0.988 0.115 27 0 "[ . 1 . 2 . 3 . 4]" 1 19 CYS 0.777 0.124 33 0 "[ . 1 . 2 . 3 . 4]" 1 20 GLU 0.313 0.047 33 0 "[ . 1 . 2 . 3 . 4]" 1 21 TYR 0.401 0.124 33 0 "[ . 1 . 2 . 3 . 4]" 1 22 THR 1.209 0.162 32 0 "[ . 1 . 2 . 3 . 4]" 1 23 ASP 1.311 0.162 32 0 "[ . 1 . 2 . 3 . 4]" 1 24 TRP 0.353 0.117 27 0 "[ . 1 . 2 . 3 . 4]" 1 25 LYS 0.782 0.083 38 0 "[ . 1 . 2 . 3 . 4]" 1 26 SER 0.961 0.091 40 0 "[ . 1 . 2 . 3 . 4]" 1 27 SER 0.196 0.054 40 0 "[ . 1 . 2 . 3 . 4]" 1 28 GLY 0.472 0.073 35 0 "[ . 1 . 2 . 3 . 4]" 1 29 ALA 0.723 0.091 40 0 "[ . 1 . 2 . 3 . 4]" 1 30 LEU 0.472 0.078 30 0 "[ . 1 . 2 . 3 . 4]" 1 31 ILE 0.649 0.169 36 0 "[ . 1 . 2 . 3 . 4]" 1 32 PRO 0.745 0.162 36 0 "[ . 1 . 2 . 3 . 4]" 1 33 ALA 0.695 0.079 32 0 "[ . 1 . 2 . 3 . 4]" 1 34 ILE 1.927 0.105 32 0 "[ . 1 . 2 . 3 . 4]" 1 35 TYR 0.897 0.169 36 0 "[ . 1 . 2 . 3 . 4]" 1 36 MET 0.868 0.105 32 0 "[ . 1 . 2 . 3 . 4]" 1 37 LEU 0.573 0.105 32 0 "[ . 1 . 2 . 3 . 4]" 1 38 VAL 0.999 0.122 32 0 "[ . 1 . 2 . 3 . 4]" 1 39 PHE 0.422 0.122 32 0 "[ . 1 . 2 . 3 . 4]" 1 40 LEU 0.371 0.043 35 0 "[ . 1 . 2 . 3 . 4]" 1 41 LEU 1.101 0.080 14 0 "[ . 1 . 2 . 3 . 4]" 1 42 GLY 0.133 0.020 34 0 "[ . 1 . 2 . 3 . 4]" 1 43 THR 0.592 0.080 14 0 "[ . 1 . 2 . 3 . 4]" 1 44 THR 1.098 0.079 24 0 "[ . 1 . 2 . 3 . 4]" 1 45 GLY 0.879 0.103 24 0 "[ . 1 . 2 . 3 . 4]" 1 46 ASN 0.419 0.079 29 0 "[ . 1 . 2 . 3 . 4]" 1 47 GLY 0.578 0.103 24 0 "[ . 1 . 2 . 3 . 4]" 1 48 LEU 0.735 0.105 32 0 "[ . 1 . 2 . 3 . 4]" 1 49 VAL 0.985 0.111 39 0 "[ . 1 . 2 . 3 . 4]" 1 50 LEU 1.031 0.160 39 0 "[ . 1 . 2 . 3 . 4]" 1 51 TRP 1.019 0.160 39 0 "[ . 1 . 2 . 3 . 4]" 1 52 THR 0.440 0.063 29 0 "[ . 1 . 2 . 3 . 4]" 1 53 VAL 0.558 0.068 36 0 "[ . 1 . 2 . 3 . 4]" 1 54 PHE 0.148 0.033 20 0 "[ . 1 . 2 . 3 . 4]" 1 55 ARG 1.807 0.157 36 0 "[ . 1 . 2 . 3 . 4]" 1 56 LYS 0.934 0.063 29 0 "[ . 1 . 2 . 3 . 4]" 1 57 LYS 0.252 0.036 15 0 "[ . 1 . 2 . 3 . 4]" 1 58 GLY 0.470 0.067 36 0 "[ . 1 . 2 . 3 . 4]" 1 59 HIS 0.515 0.067 36 0 "[ . 1 . 2 . 3 . 4]" 1 60 HIS 0.174 0.045 11 0 "[ . 1 . 2 . 3 . 4]" 1 61 HIS 0.652 0.129 18 0 "[ . 1 . 2 . 3 . 4]" 1 62 HIS 0.652 0.129 18 0 "[ . 1 . 2 . 3 . 4]" 1 63 HIS 2.497 0.152 18 0 "[ . 1 . 2 . 3 . 4]" 1 64 HIS 2.331 0.152 18 0 "[ . 1 . 2 . 3 . 4]" 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 1 MET HA 1 1 MET QG 3.400 . 5.000 2.634 2.151 3.440 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2 1 1 MET QB 1 3 GLU HA 3.400 . 5.000 4.641 3.458 4.997 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 3 1 1 MET ME 1 3 GLU HA 3.900 . 6.000 5.315 3.031 5.989 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 4 1 2 GLU H 1 3 GLU QG 3.900 . 6.000 4.897 3.018 5.993 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 5 1 2 GLU HA 1 2 GLU QB . . 2.800 2.357 2.161 2.532 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 6 1 2 GLU HA 1 2 GLU QG 2.900 . 4.000 2.533 2.178 3.316 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 7 1 2 GLU HA 1 3 GLU H 2.900 . 4.000 2.684 2.147 3.573 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 8 1 3 GLU H 1 3 GLU QB 3.400 . 4.000 2.638 2.044 3.346 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 9 1 3 GLU H 1 4 GLY H 2.900 . 4.000 2.930 1.810 4.001 0.001 30 0 "[ . 1 . 2 . 3 . 4]" 1 10 1 3 GLU HA 1 3 GLU QB . . 2.800 2.379 2.171 2.540 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 11 1 3 GLU HA 1 3 GLU QG 2.900 . 4.000 2.507 2.136 3.397 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 12 1 3 GLU HA 1 4 GLY H 2.900 . 4.000 3.148 2.148 3.575 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 13 1 3 GLU QB 1 3 GLU QG 2.300 . 2.800 2.082 2.012 2.108 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 14 1 3 GLU QB 1 4 GLY H 3.400 . 5.000 3.009 1.799 4.021 0.001 25 0 "[ . 1 . 2 . 3 . 4]" 1 15 1 4 GLY H 1 5 GLY H 3.400 . 4.000 3.310 2.123 4.003 0.003 30 0 "[ . 1 . 2 . 3 . 4]" 1 16 1 4 GLY QA 1 5 GLY H 2.900 . 4.000 2.385 2.120 2.921 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 17 1 5 GLY QA 1 6 ASP H 2.900 . 4.000 2.360 2.121 2.917 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 18 1 6 ASP H 1 6 ASP HA 2.900 . 4.000 2.807 2.297 2.945 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 19 1 6 ASP H 1 6 ASP QB 2.900 . 4.000 2.726 2.110 3.382 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 20 1 6 ASP H 1 7 PHE H 2.300 . 2.800 2.374 1.800 2.830 0.030 30 0 "[ . 1 . 2 . 3 . 4]" 1 21 1 6 ASP HA 1 6 ASP QB . . 2.800 2.393 2.160 2.541 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 22 1 6 ASP QB 1 7 PHE H 3.400 . 4.000 3.192 1.995 4.006 0.006 4 0 "[ . 1 . 2 . 3 . 4]" 1 23 1 6 ASP QB 1 7 PHE QD 3.900 . 6.000 4.367 2.095 5.997 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 24 1 7 PHE H 1 7 PHE QB 2.900 . 4.000 3.023 2.557 3.459 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 25 1 7 PHE H 1 7 PHE QD 3.900 . 6.000 3.513 2.309 4.484 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 26 1 7 PHE H 1 8 ASP H 2.300 . 2.800 2.691 2.436 2.868 0.068 40 0 "[ . 1 . 2 . 3 . 4]" 1 27 1 7 PHE HA 1 8 ASP H 2.300 . 2.800 2.728 2.414 2.860 0.060 40 0 "[ . 1 . 2 . 3 . 4]" 1 28 1 7 PHE QB 1 8 ASP H 2.900 . 4.000 3.916 3.862 4.022 0.022 34 0 "[ . 1 . 2 . 3 . 4]" 1 29 1 8 ASP H 1 8 ASP QB . . 2.800 2.771 2.527 2.958 0.158 26 0 "[ . 1 . 2 . 3 . 4]" 1 30 1 8 ASP H 1 9 ASN H 2.300 . 2.800 2.705 2.450 2.840 0.040 26 0 "[ . 1 . 2 . 3 . 4]" 1 31 1 8 ASP HA 1 8 ASP QB 2.300 . 2.800 2.384 2.180 2.487 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 32 1 8 ASP HA 1 9 ASN H . . 2.800 2.699 2.504 2.827 0.027 38 0 "[ . 1 . 2 . 3 . 4]" 1 33 1 9 ASN H 1 9 ASN HA 2.900 . 4.000 2.909 2.307 2.963 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 34 1 9 ASN H 1 9 ASN QB . . 2.800 2.692 2.198 3.058 0.258 31 0 "[ . 1 . 2 . 3 . 4]" 1 35 1 9 ASN H 1 10 TYR QB 3.400 . 5.000 4.672 3.559 5.031 0.031 25 0 "[ . 1 . 2 . 3 . 4]" 1 36 1 9 ASN H 1 11 TYR H 2.300 . 2.800 2.701 2.027 2.976 0.176 31 0 "[ . 1 . 2 . 3 . 4]" 1 37 1 9 ASN H 1 11 TYR QD 3.400 . 5.000 3.861 1.825 5.053 0.053 26 0 "[ . 1 . 2 . 3 . 4]" 1 38 1 9 ASN HA 1 10 TYR H 2.900 . 4.000 2.988 2.147 3.575 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 39 1 10 TYR H 1 10 TYR HA 2.900 . 4.000 2.634 2.289 2.946 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 40 1 10 TYR H 1 10 TYR QB 2.300 . 2.800 2.631 2.063 2.962 0.162 35 0 "[ . 1 . 2 . 3 . 4]" 1 41 1 10 TYR H 1 10 TYR QD 3.400 . 5.000 3.517 1.838 4.472 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 42 1 10 TYR H 1 14 ASP QB 3.400 . 5.000 4.571 2.984 5.023 0.023 34 0 "[ . 1 . 2 . 3 . 4]" 1 43 1 10 TYR HA 1 10 TYR QB 2.300 . 2.800 2.434 2.170 2.540 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 44 1 10 TYR HA 1 10 TYR QD 3.400 . 5.000 2.751 2.402 3.702 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 45 1 10 TYR HA 1 11 TYR H 2.900 . 4.000 3.208 2.779 3.563 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 46 1 10 TYR HA 1 13 ALA H 3.400 . 5.000 4.622 3.857 5.098 0.098 23 0 "[ . 1 . 2 . 3 . 4]" 1 47 1 10 TYR QB 1 13 ALA H 3.400 . 5.000 3.794 1.794 5.000 0.006 37 0 "[ . 1 . 2 . 3 . 4]" 1 48 1 10 TYR QB 1 11 TYR QE 3.400 . 5.000 4.615 2.520 5.081 0.081 34 0 "[ . 1 . 2 . 3 . 4]" 1 49 1 11 TYR H 1 11 TYR HA 2.900 . 4.000 2.656 2.297 2.947 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 50 1 11 TYR H 1 11 TYR QB 2.900 . 4.000 2.756 2.146 3.440 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 51 1 11 TYR H 1 11 TYR QD 3.400 . 5.000 2.957 1.786 4.035 0.014 23 0 "[ . 1 . 2 . 3 . 4]" 1 52 1 11 TYR H 1 12 GLY H 2.900 . 4.000 3.383 2.254 4.096 0.096 34 0 "[ . 1 . 2 . 3 . 4]" 1 53 1 11 TYR H 1 12 GLY H 2.900 . 4.000 2.641 1.801 3.354 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 54 1 11 TYR H 1 12 GLY QA 2.900 . 4.000 2.571 2.319 2.876 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 55 1 11 TYR HA 1 11 TYR QB 2.300 . 2.800 2.328 2.156 2.543 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 56 1 11 TYR HA 1 11 TYR QD 3.400 . 5.000 3.051 2.425 3.669 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 57 1 11 TYR HA 1 11 TYR QE 3.900 . 6.000 4.829 4.169 5.584 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 58 1 11 TYR HA 1 12 GLY H 2.300 . 2.800 2.552 2.147 2.921 0.121 26 0 "[ . 1 . 2 . 3 . 4]" 1 59 1 11 TYR QB 1 12 GLY H 3.400 . 4.000 3.868 3.468 4.024 0.024 4 0 "[ . 1 . 2 . 3 . 4]" 1 60 1 12 GLY H 1 12 GLY QA . . 2.800 2.368 2.195 2.506 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 61 1 12 GLY H 1 13 ALA H 2.900 . 4.000 2.822 1.870 3.730 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 62 1 12 GLY H 1 13 ALA MB 3.900 . 6.000 4.638 4.103 5.360 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 63 1 12 GLY QA 1 13 ALA H 2.300 . 2.800 2.585 2.324 2.915 0.115 26 0 "[ . 1 . 2 . 3 . 4]" 1 64 1 12 GLY QA 1 13 ALA HA 3.400 . 5.000 4.166 3.995 4.483 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 65 1 12 GLY QA 1 13 ALA MB 3.400 . 5.000 3.550 3.286 3.941 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 66 1 12 GLY QA 1 14 ASP H 3.400 . 5.000 4.383 3.298 5.003 0.003 33 0 "[ . 1 . 2 . 3 . 4]" 1 67 1 13 ALA H 1 13 ALA HA 2.900 . 4.000 2.792 2.318 2.946 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 68 1 13 ALA H 1 13 ALA MB 2.900 . 4.000 2.843 2.324 3.041 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 69 1 13 ALA H 1 14 ASP H 2.900 . 4.000 2.778 1.798 3.814 0.002 27 0 "[ . 1 . 2 . 3 . 4]" 1 70 1 13 ALA H 1 14 ASP HA 3.400 . 5.000 4.452 3.832 5.064 0.064 23 0 "[ . 1 . 2 . 3 . 4]" 1 71 1 13 ALA H 1 14 ASP QB 2.900 . 4.000 3.617 3.194 4.047 0.047 37 0 "[ . 1 . 2 . 3 . 4]" 1 72 1 13 ALA HA 1 14 ASP H 2.900 . 4.000 3.057 2.144 3.575 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 73 1 13 ALA MB 1 14 ASP H 3.400 . 5.000 2.851 1.810 3.702 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 74 1 13 ALA MB 1 16 GLN QB 3.900 . 6.000 5.308 2.906 6.012 0.012 4 0 "[ . 1 . 2 . 3 . 4]" 1 75 1 14 ASP H 1 14 ASP HA 2.900 . 4.000 2.565 2.296 2.957 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 76 1 14 ASP H 1 14 ASP QB 2.900 . 4.000 2.795 2.172 3.407 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 77 1 14 ASP H 1 15 ASN H 2.300 . 2.800 2.564 1.800 2.808 0.008 4 0 "[ . 1 . 2 . 3 . 4]" 1 78 1 14 ASP HA 1 14 ASP QB 2.300 . 2.800 2.403 2.155 2.532 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 79 1 15 ASN H 1 15 ASN HA 2.900 . 4.000 2.711 2.296 2.945 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 80 1 15 ASN H 1 15 ASN QB 2.900 . 4.000 2.894 2.114 3.476 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 81 1 15 ASN HA 1 15 ASN QB 2.300 . 2.800 2.338 2.156 2.539 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 82 1 15 ASN HA 1 15 ASN QD 3.400 . 5.000 3.368 1.794 4.421 0.006 21 0 "[ . 1 . 2 . 3 . 4]" 1 83 1 15 ASN HA 1 16 GLN H 2.900 . 4.000 2.569 2.149 3.507 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 84 1 15 ASN HA 1 16 GLN QE 2.900 . 4.000 3.478 2.239 3.995 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 85 1 15 ASN HA 1 17 SER H 2.900 . 4.000 3.509 2.880 3.997 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 86 1 15 ASN HA 1 18 GLU H 2.900 . 4.000 3.695 2.622 4.008 0.008 22 0 "[ . 1 . 2 . 3 . 4]" 1 87 1 15 ASN QB 1 15 ASN QD 2.900 . 4.000 2.360 2.178 2.823 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 88 1 15 ASN QB 1 16 GLN H 2.900 . 4.000 3.679 1.798 4.018 0.018 40 0 "[ . 1 . 2 . 3 . 4]" 1 89 1 16 GLN H 1 16 GLN HA 2.900 . 4.000 2.864 2.343 2.962 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 90 1 16 GLN H 1 16 GLN QB . . 2.800 2.551 2.137 2.827 0.027 34 0 "[ . 1 . 2 . 3 . 4]" 1 91 1 16 GLN H 1 16 GLN QG 2.900 . 4.000 2.614 1.799 3.946 0.001 10 0 "[ . 1 . 2 . 3 . 4]" 1 92 1 16 GLN HA 1 16 GLN QB 2.300 . 2.800 2.285 2.169 2.538 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 93 1 16 GLN HA 1 16 GLN QG 2.900 . 4.000 2.835 2.269 3.500 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 94 1 16 GLN HA 1 17 SER H 2.900 . 4.000 3.236 2.571 3.571 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 95 1 16 GLN HA 1 19 CYS QB 3.400 . 5.000 4.384 3.783 5.005 0.005 7 0 "[ . 1 . 2 . 3 . 4]" 1 96 1 16 GLN QB 1 16 GLN QG 2.300 . 2.800 2.045 1.979 2.077 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 97 1 16 GLN QB 1 17 SER H 2.900 . 4.000 3.390 2.230 4.041 0.041 26 0 "[ . 1 . 2 . 3 . 4]" 1 98 1 17 SER H 1 17 SER HA 2.900 . 4.000 2.753 2.316 2.957 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 99 1 17 SER H 1 17 SER QB 2.900 . 4.000 2.998 2.267 3.520 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 100 1 17 SER H 1 18 GLU H . . 2.800 2.204 1.765 2.811 0.035 38 0 "[ . 1 . 2 . 3 . 4]" 1 101 1 17 SER H 1 18 GLU QB 2.900 . 4.000 3.686 3.140 4.088 0.088 8 0 "[ . 1 . 2 . 3 . 4]" 1 102 1 17 SER H 1 19 CYS H 2.900 . 4.000 2.945 2.079 3.435 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 103 1 17 SER HA 1 17 SER QB 2.300 . 2.800 2.327 2.159 2.534 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 104 1 17 SER HA 1 18 GLU H 2.900 . 4.000 3.085 2.427 3.573 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 105 1 17 SER QB 1 18 GLU H 2.900 . 4.000 3.516 1.998 4.008 0.008 17 0 "[ . 1 . 2 . 3 . 4]" 1 106 1 18 GLU H 1 18 GLU HA 2.900 . 4.000 2.745 2.301 2.955 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 107 1 18 GLU H 1 18 GLU QB . . 2.800 2.472 2.047 2.829 0.029 38 0 "[ . 1 . 2 . 3 . 4]" 1 108 1 18 GLU H 1 18 GLU QG 2.900 . 4.000 3.855 2.406 4.038 0.038 29 0 "[ . 1 . 2 . 3 . 4]" 1 109 1 18 GLU H 1 21 TYR QD 3.900 . 6.000 5.102 2.615 6.115 0.115 27 0 "[ . 1 . 2 . 3 . 4]" 1 110 1 18 GLU H 1 19 CYS QB 3.400 . 5.000 4.659 3.870 5.010 0.010 8 0 "[ . 1 . 2 . 3 . 4]" 1 111 1 18 GLU HA 1 18 GLU QB 2.300 . 2.800 2.444 2.181 2.540 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 112 1 18 GLU HA 1 18 GLU QG 2.900 . 4.000 2.331 2.133 3.494 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 113 1 18 GLU HA 1 19 CYS H 2.900 . 4.000 2.632 2.145 3.575 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 114 1 18 GLU QB 1 18 GLU QG 2.300 . 2.800 2.082 1.989 2.108 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 115 1 18 GLU QB 1 19 CYS HA 3.400 . 5.000 4.111 3.647 4.904 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 116 1 18 GLU QB 1 21 TYR H 2.900 . 4.000 3.670 2.911 3.990 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 117 1 18 GLU QG 1 19 CYS HA 3.400 . 5.000 4.415 3.327 5.028 0.028 27 0 "[ . 1 . 2 . 3 . 4]" 1 118 1 19 CYS H 1 19 CYS HA 2.900 . 4.000 2.623 2.296 2.954 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 119 1 19 CYS H 1 19 CYS QB 2.900 . 4.000 2.966 2.081 3.464 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 120 1 19 CYS H 1 20 GLU H . . 2.800 2.490 1.795 2.843 0.043 27 0 "[ . 1 . 2 . 3 . 4]" 1 121 1 19 CYS HA 1 19 CYS QB 2.300 . 2.800 2.351 2.159 2.540 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 122 1 19 CYS HA 1 20 GLU H 2.900 . 4.000 3.095 2.412 3.574 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 123 1 19 CYS HA 1 21 TYR H 2.900 . 4.000 3.474 2.865 4.124 0.124 33 0 "[ . 1 . 2 . 3 . 4]" 1 124 1 19 CYS HA 1 23 ASP H 3.400 . 5.000 4.805 3.892 5.122 0.122 40 0 "[ . 1 . 2 . 3 . 4]" 1 125 1 19 CYS QB 1 20 GLU H 2.900 . 4.000 3.577 2.121 4.013 0.013 19 0 "[ . 1 . 2 . 3 . 4]" 1 126 1 19 CYS QB 1 20 GLU HA 3.400 . 5.000 4.457 3.888 4.962 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 127 1 20 GLU H 1 20 GLU HA 2.900 . 4.000 2.839 2.308 2.957 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 128 1 20 GLU H 1 20 GLU QB 2.300 . 2.800 2.425 2.087 2.847 0.047 33 0 "[ . 1 . 2 . 3 . 4]" 1 129 1 20 GLU H 1 20 GLU QG 2.900 . 4.000 3.198 1.862 4.027 0.027 12 0 "[ . 1 . 2 . 3 . 4]" 1 130 1 20 GLU H 1 21 TYR H 2.900 . 4.000 2.879 1.970 3.620 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 131 1 20 GLU H 1 21 TYR HA 3.900 . 6.000 5.028 4.378 5.562 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 132 1 20 GLU HA 1 20 GLU QB 2.300 . 2.800 2.408 2.180 2.537 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 133 1 20 GLU HA 1 20 GLU QG 2.900 . 4.000 2.394 2.137 3.354 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 134 1 20 GLU HA 1 21 TYR H 2.900 . 4.000 2.976 2.526 3.450 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 135 1 20 GLU HA 1 23 ASP H 3.400 . 5.000 4.439 3.204 5.039 0.039 40 0 "[ . 1 . 2 . 3 . 4]" 1 136 1 20 GLU QB 1 20 GLU QG 2.300 . 2.800 2.079 2.021 2.108 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 137 1 20 GLU QB 1 21 TYR H 2.900 . 4.000 3.713 3.009 4.018 0.018 33 0 "[ . 1 . 2 . 3 . 4]" 1 138 1 21 TYR H 1 21 TYR HA 2.900 . 4.000 2.755 2.282 2.954 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 139 1 21 TYR H 1 21 TYR QB 2.900 . 4.000 2.634 2.054 3.486 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 140 1 21 TYR H 1 21 TYR QD 3.900 . 5.000 3.305 2.033 4.466 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 141 1 21 TYR H 1 22 THR H 2.900 . 4.000 2.715 1.774 3.860 0.026 32 0 "[ . 1 . 2 . 3 . 4]" 1 142 1 21 TYR HA 1 21 TYR QB 2.300 . 2.800 2.437 2.159 2.541 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 143 1 21 TYR HA 1 21 TYR QD 3.400 . 4.000 2.768 2.332 3.675 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 144 1 21 TYR HA 1 22 THR H 2.900 . 4.000 3.153 2.165 3.578 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 145 1 21 TYR QB 1 21 TYR QD 2.900 . 4.000 2.159 2.149 2.219 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 146 1 21 TYR QB 1 22 THR H 3.400 . 4.000 3.121 1.801 3.975 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 147 1 21 TYR QD 1 22 THR H 3.400 . 5.000 4.383 2.463 4.950 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 148 1 22 THR H 1 22 THR HA 2.900 . 4.000 2.664 2.296 2.947 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 149 1 22 THR H 1 22 THR HB 2.900 . 4.000 3.623 2.831 4.004 0.004 6 0 "[ . 1 . 2 . 3 . 4]" 1 150 1 22 THR H 1 22 THR MG 3.400 . 5.000 3.475 2.332 4.058 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 151 1 22 THR H 1 23 ASP H 2.900 . 4.000 2.270 1.783 2.803 0.017 32 0 "[ . 1 . 2 . 3 . 4]" 1 152 1 22 THR H 1 23 ASP H 2.900 . 4.000 2.264 1.782 2.777 0.018 32 0 "[ . 1 . 2 . 3 . 4]" 1 153 1 22 THR H 1 24 TRP H 2.900 . 4.000 3.777 2.549 4.117 0.117 27 0 "[ . 1 . 2 . 3 . 4]" 1 154 1 22 THR HA 1 22 THR MG 2.300 . 2.800 2.272 2.121 2.535 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 155 1 22 THR HA 1 23 ASP H 2.900 . 4.000 2.987 2.609 3.519 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 156 1 22 THR HA 1 23 ASP HA 3.400 . 5.000 4.463 4.352 4.716 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 157 1 22 THR HA 1 23 ASP QB 3.400 . 5.000 4.904 4.568 5.162 0.162 32 0 "[ . 1 . 2 . 3 . 4]" 1 158 1 22 THR HA 1 24 TRP HE1 2.900 . 4.000 3.468 2.766 4.024 0.024 38 0 "[ . 1 . 2 . 3 . 4]" 1 159 1 22 THR HA 1 25 LYS QB 3.900 . 6.000 5.835 4.351 6.049 0.049 28 0 "[ . 1 . 2 . 3 . 4]" 1 160 1 22 THR HA 1 25 LYS QG 2.900 . 4.000 3.933 3.185 4.074 0.074 38 0 "[ . 1 . 2 . 3 . 4]" 1 161 1 22 THR HB 1 23 ASP H 3.400 . 5.000 4.111 2.734 4.564 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 162 1 22 THR MG 1 23 ASP H 3.400 . 5.000 4.211 3.304 4.458 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 163 1 22 THR MG 1 24 TRP HE1 3.900 . 6.000 4.507 3.291 5.735 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 164 1 22 THR MG 1 25 LYS QE 3.400 . 5.000 3.072 2.044 4.808 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 165 1 23 ASP H 1 23 ASP HA 2.900 . 4.000 2.942 2.880 2.962 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 166 1 23 ASP H 1 23 ASP QB 2.900 . 4.000 2.582 2.217 3.156 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 167 1 23 ASP H 1 24 TRP H 2.300 . 2.800 2.021 1.776 2.803 0.024 27 0 "[ . 1 . 2 . 3 . 4]" 1 168 1 23 ASP H 1 24 TRP HD1 3.400 . 5.000 2.622 1.894 4.141 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 169 1 23 ASP H 1 25 LYS H 3.400 . 5.000 3.957 3.076 4.699 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 170 1 23 ASP HA 1 24 TRP H 2.900 . 4.000 3.205 2.954 3.541 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 171 1 23 ASP HA 1 25 LYS H 2.900 . 4.000 3.340 3.112 4.021 0.021 27 0 "[ . 1 . 2 . 3 . 4]" 1 172 1 23 ASP HA 1 26 SER H 2.900 . 4.000 3.185 2.480 3.929 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 173 1 23 ASP HA 1 26 SER QB 2.900 . 4.000 3.370 2.281 4.042 0.042 10 0 "[ . 1 . 2 . 3 . 4]" 1 174 1 23 ASP HA 1 27 SER H 2.900 . 4.000 3.523 2.457 4.002 0.002 40 0 "[ . 1 . 2 . 3 . 4]" 1 175 1 23 ASP QB 1 24 TRP H 2.900 . 4.000 3.499 2.588 3.987 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 176 1 24 TRP H 1 24 TRP HA 2.900 . 4.000 2.893 2.752 2.958 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 177 1 24 TRP H 1 24 TRP QB 2.900 . 4.000 2.588 2.235 3.058 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 178 1 24 TRP H 1 24 TRP HD1 3.400 . 4.000 1.954 1.810 2.656 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 179 1 24 TRP H 1 24 TRP HE1 3.400 . 5.000 4.154 3.731 4.954 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 180 1 24 TRP H 1 25 LYS H 2.900 . 4.000 2.416 1.819 2.788 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 181 1 24 TRP HA 1 24 TRP QB 2.300 . 2.800 2.188 2.179 2.191 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 182 1 24 TRP HA 1 24 TRP HD1 3.400 . 5.000 4.226 4.049 4.507 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 183 1 24 TRP HA 1 25 LYS H 2.900 . 4.000 3.317 3.198 3.506 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 184 1 24 TRP HA 1 25 LYS H 2.900 . 4.000 3.220 3.137 3.458 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 185 1 24 TRP QB 1 24 TRP HD1 2.900 . 4.000 2.703 2.559 2.853 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 186 1 24 TRP QB 1 25 LYS H 3.400 . 5.000 3.801 3.518 3.920 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 187 1 24 TRP HD1 1 25 LYS H 3.400 . 5.000 3.628 2.347 3.902 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 188 1 24 TRP HE1 1 25 LYS H 3.400 . 5.000 4.707 3.550 5.015 0.015 9 0 "[ . 1 . 2 . 3 . 4]" 1 189 1 24 TRP HE1 1 25 LYS QB 3.400 . 5.000 4.500 2.955 4.968 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 190 1 24 TRP HE1 1 25 LYS QE 3.400 . 5.000 3.481 1.972 5.004 0.004 27 0 "[ . 1 . 2 . 3 . 4]" 1 191 1 24 TRP HE1 1 25 LYS QG 3.400 . 5.000 2.968 2.436 4.436 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 192 1 25 LYS H 1 25 LYS QD 2.300 . 2.800 1.880 1.748 2.869 0.069 39 0 "[ . 1 . 2 . 3 . 4]" 1 193 1 25 LYS H 1 25 LYS QE 3.400 . 5.000 3.605 3.221 4.686 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 194 1 25 LYS H 1 25 LYS QG 2.900 . 4.000 2.302 1.808 3.395 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 195 1 25 LYS H 1 26 SER H 2.900 . 4.000 1.987 1.785 2.705 0.015 16 0 "[ . 1 . 2 . 3 . 4]" 1 196 1 25 LYS H 1 27 SER H 3.400 . 5.000 4.341 3.293 5.002 0.002 40 0 "[ . 1 . 2 . 3 . 4]" 1 197 1 25 LYS HA 1 25 LYS QE 3.900 . 6.000 5.203 3.961 5.345 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 198 1 25 LYS HA 1 25 LYS QG 2.900 . 4.000 3.393 3.184 3.492 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 199 1 25 LYS HA 1 26 SER H 2.900 . 4.000 3.176 3.053 3.482 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 200 1 25 LYS QD 1 25 LYS QG 2.300 . 2.800 2.094 2.028 2.109 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 201 1 25 LYS QD 1 26 SER H 2.900 . 4.000 2.447 2.074 3.034 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 202 1 25 LYS QD 1 26 SER HA 2.900 . 4.000 3.537 3.135 4.083 0.083 38 0 "[ . 1 . 2 . 3 . 4]" 1 203 1 25 LYS QD 1 26 SER QB 2.900 . 4.000 2.503 2.068 3.471 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 204 1 25 LYS QD 1 27 SER QB 3.900 . 6.000 4.370 2.073 5.598 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 205 1 25 LYS QE 1 25 LYS QG 2.900 . 4.000 2.258 2.081 2.558 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 206 1 25 LYS QE 1 26 SER H 3.400 . 5.000 4.388 3.621 4.993 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 207 1 25 LYS QG 1 26 SER H 2.900 . 4.000 3.790 2.399 4.011 0.011 30 0 "[ . 1 . 2 . 3 . 4]" 1 208 1 26 SER H 1 26 SER HA 2.900 . 4.000 2.755 2.295 2.960 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 209 1 26 SER H 1 26 SER QB 2.900 . 4.000 2.749 2.241 3.350 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 210 1 26 SER H 1 27 SER H 2.900 . 4.000 2.908 1.836 3.712 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 211 1 26 SER H 1 27 SER QB 3.400 . 5.000 4.435 3.218 5.004 0.004 16 0 "[ . 1 . 2 . 3 . 4]" 1 212 1 26 SER H 1 28 GLY H 3.400 . 5.000 3.950 2.467 5.020 0.020 40 0 "[ . 1 . 2 . 3 . 4]" 1 213 1 26 SER HA 1 26 SER QB 2.300 . 2.800 2.304 2.164 2.536 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 214 1 26 SER HA 1 27 SER H 2.900 . 4.000 3.182 2.163 3.575 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 215 1 26 SER HA 1 28 GLY H 2.900 . 4.000 3.660 2.869 4.019 0.019 30 0 "[ . 1 . 2 . 3 . 4]" 1 216 1 26 SER HA 1 29 ALA H 3.400 . 5.000 4.534 2.473 5.012 0.012 7 0 "[ . 1 . 2 . 3 . 4]" 1 217 1 26 SER HA 1 29 ALA MB 2.900 . 4.000 3.713 3.062 4.091 0.091 40 0 "[ . 1 . 2 . 3 . 4]" 1 218 1 26 SER HA 1 30 LEU QD 3.400 . 5.000 3.771 2.371 5.022 0.022 23 0 "[ . 1 . 2 . 3 . 4]" 1 219 1 26 SER QB 1 27 SER H 2.900 . 4.000 2.736 1.813 4.041 0.041 16 0 "[ . 1 . 2 . 3 . 4]" 1 220 1 26 SER QB 1 28 GLY H 2.900 . 4.000 3.373 2.050 3.850 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 221 1 27 SER H 1 27 SER HA 2.900 . 4.000 2.801 2.292 2.946 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 222 1 27 SER H 1 27 SER QB 2.900 . 4.000 2.611 2.048 3.333 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 223 1 27 SER H 1 28 GLY H 2.900 . 4.000 2.711 1.798 3.823 0.002 28 0 "[ . 1 . 2 . 3 . 4]" 1 224 1 27 SER HA 1 27 SER QB 2.300 . 2.800 2.312 2.155 2.541 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 225 1 27 SER HA 1 28 GLY H 2.900 . 4.000 3.074 2.626 3.568 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 226 1 27 SER HA 1 29 ALA H 3.400 . 5.000 3.724 2.868 4.833 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 227 1 27 SER HA 1 30 LEU QD 3.400 . 5.000 3.633 2.274 5.054 0.054 40 0 "[ . 1 . 2 . 3 . 4]" 1 228 1 27 SER QB 1 30 LEU QD 3.900 . 5.000 4.584 2.913 5.014 0.014 29 0 "[ . 1 . 2 . 3 . 4]" 1 229 1 27 SER QB 1 31 ILE HB 3.900 . 6.000 5.264 3.812 6.005 0.005 3 0 "[ . 1 . 2 . 3 . 4]" 1 230 1 28 GLY H 1 28 GLY QA 2.300 . 2.800 2.437 2.216 2.505 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 231 1 28 GLY H 1 29 ALA H 2.900 . 4.000 2.211 1.754 2.887 0.046 23 0 "[ . 1 . 2 . 3 . 4]" 1 232 1 28 GLY H 1 29 ALA MB 3.900 . 5.000 3.432 3.101 4.263 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 233 1 28 GLY H 1 30 LEU HG 3.900 . 6.000 4.996 3.841 6.035 0.035 35 0 "[ . 1 . 2 . 3 . 4]" 1 234 1 28 GLY H 1 31 ILE H 3.400 . 5.000 4.682 4.189 5.073 0.073 35 0 "[ . 1 . 2 . 3 . 4]" 1 235 1 28 GLY H 1 31 ILE MD 3.900 . 6.000 4.811 3.747 5.836 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 236 1 28 GLY QA 1 29 ALA H 2.900 . 4.000 2.801 2.638 2.921 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 237 1 29 ALA H 1 29 ALA HA 2.900 . 4.000 2.873 2.293 2.960 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 238 1 29 ALA H 1 29 ALA MB 2.900 . 4.000 2.602 2.207 3.010 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 239 1 29 ALA H 1 30 LEU HA 3.400 . 5.000 4.531 4.309 5.078 0.078 30 0 "[ . 1 . 2 . 3 . 4]" 1 240 1 29 ALA H 1 30 LEU QB 3.400 . 5.000 3.289 2.732 4.296 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 241 1 29 ALA H 1 30 LEU QD 3.400 . 5.000 2.900 2.098 4.362 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 242 1 29 ALA H 1 32 PRO QG 3.400 . 5.000 4.132 3.594 4.853 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 243 1 29 ALA H 1 33 ALA MB 3.900 . 6.000 5.764 5.159 6.028 0.028 13 0 "[ . 1 . 2 . 3 . 4]" 1 244 1 29 ALA HA 1 30 LEU H 2.900 . 4.000 3.291 2.699 3.515 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 245 1 29 ALA HA 1 30 LEU QB 3.400 . 5.000 4.536 3.988 4.842 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 246 1 29 ALA HA 1 31 ILE HB 3.400 . 5.000 3.054 2.243 3.909 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 247 1 29 ALA HA 1 31 ILE MG 3.400 . 5.000 3.307 2.996 4.335 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 248 1 29 ALA HA 1 32 PRO QD 2.900 . 4.000 3.179 2.323 3.708 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 249 1 29 ALA MB 1 30 LEU H 3.400 . 5.000 3.220 2.782 3.710 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 250 1 29 ALA MB 1 30 LEU QD 3.900 . 6.000 2.592 1.971 4.013 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 251 1 29 ALA MB 1 31 ILE H 3.400 . 5.000 4.628 4.278 5.009 0.009 30 0 "[ . 1 . 2 . 3 . 4]" 1 252 1 29 ALA MB 1 31 ILE HB 3.400 . 5.000 4.152 2.306 4.742 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 253 1 29 ALA MB 1 32 PRO QD 3.400 . 5.000 4.113 3.430 4.494 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 254 1 30 LEU H 1 30 LEU HA 2.900 . 4.000 2.946 2.834 2.961 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 255 1 30 LEU H 1 30 LEU QB 2.900 . 4.000 2.847 2.235 3.283 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 256 1 30 LEU H 1 30 LEU QB 2.900 . 4.000 2.757 2.181 3.247 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 257 1 30 LEU H 1 30 LEU QD 3.400 . 5.000 2.443 1.776 3.612 0.024 30 0 "[ . 1 . 2 . 3 . 4]" 1 258 1 30 LEU H 1 30 LEU HG 2.900 . 4.000 2.618 1.818 3.995 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 259 1 30 LEU H 1 31 ILE HB 3.400 . 5.000 3.880 3.434 4.942 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 260 1 30 LEU H 1 33 ALA MB 3.900 . 6.000 4.629 4.120 5.057 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 261 1 30 LEU H 1 34 ILE MD 3.900 . 6.000 5.693 5.094 6.020 0.020 36 0 "[ . 1 . 2 . 3 . 4]" 1 262 1 30 LEU HA 1 30 LEU QD 2.900 . 4.000 2.866 1.969 3.425 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 263 1 30 LEU HA 1 30 LEU HG 2.900 . 4.000 3.165 2.339 3.737 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 264 1 30 LEU HA 1 31 ILE MD 3.400 . 5.000 4.380 3.851 4.755 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 265 1 30 LEU QB 1 30 LEU HG 2.300 . 2.800 2.457 2.195 2.546 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 266 1 30 LEU QB 1 31 ILE HA 3.400 . 5.000 4.077 3.856 4.450 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 267 1 30 LEU QB 1 33 ALA H 3.400 . 5.000 4.660 4.447 4.845 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 268 1 30 LEU QB 1 33 ALA MB 3.400 . 5.000 4.030 3.519 4.593 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 269 1 30 LEU QD 1 33 ALA MB 3.400 . 5.000 4.113 3.227 4.535 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 270 1 30 LEU QD 1 33 ALA H 3.900 . 6.000 5.439 4.675 5.892 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 271 1 30 LEU QD 1 34 ILE H 3.900 . 6.000 4.938 4.382 5.289 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 272 1 31 ILE H 1 31 ILE HA 2.900 . 4.000 2.881 2.840 2.927 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 273 1 31 ILE H 1 31 ILE HB 2.900 . 4.000 2.290 2.090 3.020 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 274 1 31 ILE H 1 31 ILE MD 3.400 . 4.000 2.300 1.976 2.616 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 275 1 31 ILE H 1 31 ILE QG 2.900 . 4.000 3.372 1.800 3.846 0.000 10 0 "[ . 1 . 2 . 3 . 4]" 1 276 1 31 ILE H 1 31 ILE MG 3.900 . 4.000 3.544 3.379 3.748 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 277 1 31 ILE H 1 32 PRO QB 3.400 . 5.000 4.668 3.884 5.000 0.000 40 0 "[ . 1 . 2 . 3 . 4]" 1 278 1 31 ILE H 1 32 PRO QD . . 2.800 1.931 1.788 2.101 0.012 37 0 "[ . 1 . 2 . 3 . 4]" 1 279 1 31 ILE H 1 33 ALA HA 3.400 . 5.000 4.745 4.206 5.005 0.005 10 0 "[ . 1 . 2 . 3 . 4]" 1 280 1 31 ILE H 1 33 ALA MB 3.400 . 5.000 4.206 3.967 4.389 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 281 1 31 ILE H 1 34 ILE HA 2.900 . 4.000 3.602 2.990 4.004 0.004 22 0 "[ . 1 . 2 . 3 . 4]" 1 282 1 31 ILE H 1 35 TYR QB 2.900 . 4.000 3.449 2.494 3.756 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 283 1 31 ILE HA 1 31 ILE MD 3.400 . 4.000 2.236 2.192 2.312 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 284 1 31 ILE HA 1 31 ILE QG 2.900 . 4.000 2.485 2.311 3.314 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 285 1 31 ILE HA 1 31 ILE MG 2.900 . 4.000 2.641 2.141 2.861 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 286 1 31 ILE HA 1 32 PRO HA 3.400 . 5.000 4.740 4.707 4.879 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 287 1 31 ILE HA 1 33 ALA H 3.400 . 5.000 3.661 3.453 4.219 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 288 1 31 ILE HA 1 34 ILE HB 3.900 . 6.000 4.949 3.662 5.895 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 289 1 31 ILE HA 1 34 ILE MD 3.400 . 5.000 3.315 2.403 4.811 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 290 1 31 ILE HA 1 35 TYR H 3.400 . 5.000 4.033 3.171 4.608 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 291 1 31 ILE HA 1 35 TYR QE 3.900 . 6.000 4.710 3.439 6.169 0.169 36 0 "[ . 1 . 2 . 3 . 4]" 1 292 1 31 ILE HB 1 31 ILE MD 2.900 . 4.000 2.457 2.275 3.218 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 293 1 31 ILE HB 1 32 PRO QD 2.900 . 4.000 2.283 2.070 2.309 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 294 1 31 ILE HB 1 33 ALA H 2.900 . 4.000 3.707 2.963 3.886 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 295 1 31 ILE HB 1 33 ALA HA 3.400 . 5.000 4.732 4.214 4.921 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 296 1 31 ILE HB 1 35 TYR QE 3.900 . 6.000 5.383 4.273 5.870 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 297 1 31 ILE HB 1 35 TYR QB 3.400 . 5.000 4.683 3.914 5.025 0.025 34 0 "[ . 1 . 2 . 3 . 4]" 1 298 1 31 ILE MD 1 32 PRO QD 3.400 . 5.000 3.551 3.302 3.740 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 299 1 31 ILE MD 1 34 ILE QG 3.400 . 5.000 4.324 3.822 5.043 0.043 37 0 "[ . 1 . 2 . 3 . 4]" 1 300 1 31 ILE MD 1 35 TYR H 3.900 . 6.000 5.570 4.549 6.011 0.011 20 0 "[ . 1 . 2 . 3 . 4]" 1 301 1 31 ILE MD 1 35 TYR QB 3.900 . 6.000 5.253 3.527 5.987 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 302 1 31 ILE QG 1 31 ILE MG 2.300 . 2.800 2.128 2.093 2.290 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 303 1 31 ILE MG 1 32 PRO QB 3.400 . 5.000 3.546 3.040 5.005 0.005 36 0 "[ . 1 . 2 . 3 . 4]" 1 304 1 31 ILE MG 1 32 PRO QD 2.900 . 4.000 2.775 2.238 3.745 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 305 1 31 ILE MG 1 32 PRO QD 3.400 . 5.000 2.766 2.237 3.722 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 306 1 31 ILE MG 1 33 ALA H 3.400 . 5.000 4.318 3.956 4.911 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 307 1 31 ILE MG 1 35 TYR HA 3.400 . 5.000 4.456 3.420 4.985 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 308 1 31 ILE MG 1 35 TYR QD 3.900 . 6.000 3.021 2.288 3.582 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 309 1 31 ILE MG 1 35 TYR QE 3.400 . 5.000 4.090 3.046 5.006 0.006 12 0 "[ . 1 . 2 . 3 . 4]" 1 310 1 31 ILE MG 1 35 TYR QB 3.400 . 5.000 2.957 2.242 3.966 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 311 1 31 ILE MG 1 35 TYR QB 3.400 . 5.000 2.921 2.233 3.740 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 312 1 31 ILE MG 1 35 TYR QD 3.900 . 6.000 3.182 2.300 4.091 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 313 1 31 ILE MG 1 35 TYR QE 3.900 . 6.000 4.318 3.063 5.185 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 314 1 32 PRO HA 1 32 PRO QD 3.400 . 5.000 3.516 3.186 3.531 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 315 1 32 PRO HA 1 32 PRO QG 2.900 . 4.000 3.529 3.482 3.534 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 316 1 32 PRO HA 1 33 ALA H 3.400 . 4.000 3.136 2.991 3.447 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 317 1 32 PRO HA 1 33 ALA MB 3.400 . 5.000 4.700 4.584 4.890 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 318 1 32 PRO HA 1 35 TYR QB 2.900 . 4.000 3.495 2.471 4.162 0.162 36 0 "[ . 1 . 2 . 3 . 4]" 1 319 1 32 PRO QB 1 33 ALA H 2.900 . 4.000 3.761 3.427 3.876 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 320 1 32 PRO QB 1 33 ALA MB 3.400 . 5.000 4.386 4.156 4.628 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 321 1 32 PRO QB 1 34 ILE H 3.400 . 5.000 4.108 3.712 4.775 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 322 1 32 PRO QB 1 36 MET H 2.900 . 4.000 3.838 3.223 4.105 0.105 32 0 "[ . 1 . 2 . 3 . 4]" 1 323 1 32 PRO QB 1 36 MET QG 3.400 . 5.000 3.271 2.239 3.966 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 324 1 32 PRO QB 1 35 TYR QB 3.900 . 6.000 4.939 4.004 5.518 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 325 1 32 PRO QD 1 33 ALA H 3.400 . 5.000 2.847 2.055 3.467 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 326 1 32 PRO QG 1 33 ALA H 2.900 . 4.000 3.824 2.984 4.035 0.035 36 0 "[ . 1 . 2 . 3 . 4]" 1 327 1 32 PRO QG 1 35 TYR HA 3.400 . 5.000 3.498 2.623 4.991 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 328 1 32 PRO QG 1 36 MET QG 3.900 . 6.000 4.456 3.779 4.894 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 329 1 33 ALA H 1 33 ALA HA 2.900 . 4.000 2.946 2.829 2.962 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 330 1 33 ALA H 1 33 ALA MB 2.900 . 4.000 2.399 2.043 2.624 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 331 1 33 ALA H 1 34 ILE H 2.900 . 4.000 2.069 1.788 2.703 0.012 39 0 "[ . 1 . 2 . 3 . 4]" 1 332 1 33 ALA H 1 34 ILE QG 3.400 . 4.000 2.900 2.473 3.577 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 333 1 33 ALA H 1 36 MET ME 3.900 . 6.000 5.079 4.479 5.991 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 334 1 33 ALA HA 1 34 ILE H 2.900 . 4.000 3.281 3.138 3.567 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 335 1 33 ALA HA 1 36 MET QB 3.400 . 5.000 4.042 3.254 5.079 0.079 32 0 "[ . 1 . 2 . 3 . 4]" 1 336 1 33 ALA MB 1 34 ILE H 2.900 . 4.000 3.241 2.401 3.462 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 337 1 33 ALA MB 1 34 ILE HA 3.400 . 5.000 4.180 3.825 4.320 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 338 1 33 ALA MB 1 34 ILE HB 3.400 . 5.000 4.753 3.321 4.976 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 339 1 33 ALA MB 1 34 ILE MG 3.400 . 5.000 3.802 2.557 4.993 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 340 1 33 ALA MB 1 35 TYR H 3.400 . 5.000 4.826 4.140 5.015 0.015 13 0 "[ . 1 . 2 . 3 . 4]" 1 341 1 33 ALA MB 1 35 TYR QB 3.900 . 6.000 5.869 5.226 6.023 0.023 3 0 "[ . 1 . 2 . 3 . 4]" 1 342 1 33 ALA MB 1 36 MET ME 3.900 . 6.000 5.873 3.356 6.010 0.010 13 0 "[ . 1 . 2 . 3 . 4]" 1 343 1 33 ALA MB 1 36 MET QG 3.900 . 6.000 4.814 4.019 5.162 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 344 1 33 ALA MB 1 37 LEU H 3.900 . 6.000 5.775 4.886 6.040 0.040 37 0 "[ . 1 . 2 . 3 . 4]" 1 345 1 34 ILE H 1 34 ILE HA 2.900 . 4.000 2.940 2.916 2.954 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 346 1 34 ILE H 1 34 ILE HB 2.900 . 4.000 3.361 2.506 3.887 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 347 1 34 ILE H 1 34 ILE MD 3.400 . 5.000 3.759 1.787 4.282 0.013 37 0 "[ . 1 . 2 . 3 . 4]" 1 348 1 34 ILE H 1 34 ILE QG 2.900 . 4.000 2.188 1.795 2.820 0.005 12 0 "[ . 1 . 2 . 3 . 4]" 1 349 1 34 ILE H 1 34 ILE MG 2.900 . 4.000 3.655 2.589 3.971 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 350 1 34 ILE H 1 35 TYR H 2.300 . 2.800 1.995 1.716 2.322 0.084 32 0 "[ . 1 . 2 . 3 . 4]" 1 351 1 34 ILE H 1 35 TYR QB 2.900 . 4.000 3.719 3.504 4.012 0.012 39 0 "[ . 1 . 2 . 3 . 4]" 1 352 1 34 ILE H 1 36 MET QG 2.900 . 4.000 3.634 2.837 4.038 0.038 37 0 "[ . 1 . 2 . 3 . 4]" 1 353 1 34 ILE HA 1 34 ILE HB 2.900 . 4.000 2.819 2.453 3.027 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 354 1 34 ILE HA 1 34 ILE MD 3.400 . 4.000 3.939 2.249 4.101 0.101 32 0 "[ . 1 . 2 . 3 . 4]" 1 355 1 34 ILE HA 1 34 ILE QG 3.400 . 4.000 2.980 2.430 3.297 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 356 1 34 ILE HA 1 34 ILE MG 2.900 . 4.000 2.175 2.116 2.319 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 357 1 34 ILE HA 1 37 LEU H 3.400 . 5.000 3.607 2.991 4.012 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 358 1 34 ILE HA 1 37 LEU QB 3.400 . 5.000 3.535 2.345 4.993 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 359 1 34 ILE HA 1 37 LEU QD 3.400 . 5.000 3.379 2.358 4.650 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 360 1 34 ILE HA 1 38 VAL H 3.400 . 5.000 4.842 3.885 5.021 0.021 34 0 "[ . 1 . 2 . 3 . 4]" 1 361 1 34 ILE HB 1 34 ILE MD 2.900 . 4.000 2.324 2.140 3.204 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 362 1 34 ILE HB 1 35 TYR H 2.900 . 4.000 2.914 2.444 3.808 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 363 1 34 ILE QG 1 34 ILE MG 2.900 . 4.000 2.264 2.015 2.429 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 364 1 34 ILE QG 1 38 VAL H 3.400 . 5.000 3.250 2.561 3.601 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 365 1 34 ILE MG 1 35 TYR H 3.400 . 5.000 3.898 3.280 4.138 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 366 1 35 TYR H 1 35 TYR HA 2.900 . 4.000 2.845 2.718 2.933 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 367 1 35 TYR H 1 35 TYR QB 2.900 . 4.000 2.170 2.058 2.284 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 368 1 35 TYR H 1 35 TYR QD 3.400 . 5.000 2.769 2.015 3.753 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 369 1 35 TYR H 1 35 TYR QE 3.900 . 6.000 4.555 4.162 5.157 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 370 1 35 TYR H 1 36 MET H 2.900 . 4.000 2.845 2.521 3.039 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 371 1 35 TYR H 1 36 MET QG 3.400 . 5.000 3.614 3.149 4.299 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 372 1 35 TYR H 1 36 MET QG 3.400 . 5.000 3.536 3.117 4.108 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 373 1 35 TYR H 1 37 LEU QB 2.900 . 4.000 3.385 2.663 3.950 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 374 1 35 TYR HA 1 35 TYR QD 3.400 . 5.000 2.777 2.392 3.040 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 375 1 35 TYR HA 1 35 TYR QE 3.400 . 5.000 4.364 4.191 5.066 0.066 36 0 "[ . 1 . 2 . 3 . 4]" 1 376 1 35 TYR HA 1 36 MET H 2.900 . 4.000 3.174 2.929 3.569 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 377 1 35 TYR HA 1 38 VAL QG 2.900 . 4.000 3.275 2.281 3.739 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 378 1 35 TYR HA 1 38 VAL QG 3.400 . 5.000 3.547 2.295 4.274 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 379 1 35 TYR HA 1 39 PHE H 2.900 . 4.000 3.465 2.412 4.035 0.035 37 0 "[ . 1 . 2 . 3 . 4]" 1 380 1 35 TYR QB 1 35 TYR QE 3.400 . 5.000 3.745 2.333 3.961 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 381 1 35 TYR QB 1 36 MET H 2.900 . 4.000 3.474 2.496 3.788 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 382 1 35 TYR QB 1 36 MET QG 3.400 . 5.000 3.264 2.964 3.578 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 383 1 35 TYR QD 1 36 MET ME 3.900 . 6.000 4.648 3.236 6.047 0.047 32 0 "[ . 1 . 2 . 3 . 4]" 1 384 1 35 TYR QD 1 36 MET QG 3.900 . 6.000 5.030 2.620 5.503 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 385 1 35 TYR QD 1 38 VAL QG 3.900 . 6.000 4.690 3.609 5.513 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 386 1 35 TYR QE 1 39 PHE QD 3.900 . 6.000 4.087 2.431 5.534 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 387 1 36 MET H 1 36 MET HA 2.900 . 4.000 2.926 2.714 2.962 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 388 1 36 MET H 1 36 MET QB 2.900 . 4.000 2.622 2.366 3.022 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 389 1 36 MET H 1 36 MET ME 3.400 . 5.000 4.147 3.146 4.978 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 390 1 36 MET H 1 36 MET QG 2.900 . 4.000 2.536 1.819 2.883 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 391 1 36 MET H 1 37 LEU QB 2.900 . 4.000 2.429 2.093 2.816 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 392 1 36 MET HA 1 36 MET QG 2.900 . 4.000 2.837 2.425 3.260 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 393 1 36 MET HA 1 37 LEU H 2.900 . 4.000 3.560 3.432 3.576 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 394 1 36 MET HA 1 39 PHE QB 2.900 . 4.000 3.039 2.285 3.964 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 395 1 36 MET QB 1 37 LEU H 2.900 . 4.000 2.285 1.946 3.008 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 396 1 36 MET QB 1 37 LEU HA 3.400 . 5.000 3.852 3.614 4.242 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 397 1 36 MET QB 1 37 LEU QD 3.400 . 5.000 2.943 2.087 4.856 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 398 1 36 MET QB 1 38 VAL QG 3.400 . 5.000 4.967 4.629 5.062 0.062 37 0 "[ . 1 . 2 . 3 . 4]" 1 399 1 36 MET ME 1 36 MET QG 3.400 . 4.000 2.148 2.114 2.251 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 400 1 36 MET ME 1 39 PHE H 3.900 . 6.000 5.888 5.519 6.010 0.010 24 0 "[ . 1 . 2 . 3 . 4]" 1 401 1 36 MET ME 1 39 PHE QD 3.900 . 6.000 5.164 4.326 6.061 0.061 32 0 "[ . 1 . 2 . 3 . 4]" 1 402 1 36 MET ME 1 40 LEU QD 3.400 . 5.000 4.126 2.369 5.005 0.005 17 0 "[ . 1 . 2 . 3 . 4]" 1 403 1 36 MET QG 1 37 LEU H 3.400 . 5.000 3.762 3.330 4.095 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 404 1 36 MET QG 1 39 PHE QB 3.400 . 5.000 4.728 3.858 5.015 0.015 17 0 "[ . 1 . 2 . 3 . 4]" 1 405 1 36 MET QG 1 40 LEU QD 3.400 . 5.000 4.545 3.637 5.002 0.002 9 0 "[ . 1 . 2 . 3 . 4]" 1 406 1 37 LEU H 1 37 LEU HA 2.900 . 4.000 2.839 2.736 2.960 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 407 1 37 LEU H 1 37 LEU QB 2.900 . 4.000 2.445 2.096 2.834 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 408 1 37 LEU H 1 37 LEU QD 3.400 . 4.000 2.529 1.798 3.734 0.002 25 0 "[ . 1 . 2 . 3 . 4]" 1 409 1 37 LEU H 1 37 LEU HG 2.900 . 4.000 2.596 1.811 4.021 0.021 37 0 "[ . 1 . 2 . 3 . 4]" 1 410 1 37 LEU H 1 38 VAL H . . 2.800 2.721 2.085 2.847 0.047 37 0 "[ . 1 . 2 . 3 . 4]" 1 411 1 37 LEU HA 1 37 LEU QD 2.900 . 4.000 2.375 1.936 3.344 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 412 1 37 LEU HA 1 37 LEU HG 2.900 . 4.000 2.847 2.348 3.630 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 413 1 37 LEU HA 1 38 VAL H 2.900 . 4.000 3.255 2.972 3.524 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 414 1 37 LEU HA 1 38 VAL HA 3.400 . 5.000 4.516 4.404 4.717 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 415 1 37 LEU QB 1 38 VAL H 2.900 . 4.000 3.408 2.665 3.971 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 416 1 38 VAL H 1 38 VAL HA 2.900 . 4.000 2.941 2.885 2.963 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 417 1 38 VAL H 1 38 VAL HB 2.900 . 4.000 2.841 2.430 3.475 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 418 1 38 VAL H 1 38 VAL QG 2.900 . 4.000 2.469 1.795 2.933 0.005 37 0 "[ . 1 . 2 . 3 . 4]" 1 419 1 38 VAL H 1 39 PHE QB 3.400 . 5.000 3.811 3.496 4.229 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 420 1 38 VAL H 1 39 PHE QD 3.900 . 6.000 5.563 3.396 6.000 0.000 39 0 "[ . 1 . 2 . 3 . 4]" 1 421 1 38 VAL H 1 40 LEU H 2.900 . 4.000 3.438 2.834 4.024 0.024 37 0 "[ . 1 . 2 . 3 . 4]" 1 422 1 38 VAL HA 1 38 VAL HB 2.900 . 4.000 3.001 2.802 3.028 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 423 1 38 VAL HA 1 38 VAL QG 2.900 . 4.000 2.078 2.031 2.115 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 424 1 38 VAL HA 1 39 PHE H 3.400 . 5.000 3.547 3.370 3.577 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 425 1 38 VAL HA 1 40 LEU H 3.400 . 5.000 4.065 3.260 5.022 0.022 35 0 "[ . 1 . 2 . 3 . 4]" 1 426 1 38 VAL HA 1 41 LEU H 3.400 . 5.000 4.125 2.835 5.002 0.002 22 0 "[ . 1 . 2 . 3 . 4]" 1 427 1 38 VAL HA 1 41 LEU QB 3.400 . 5.000 2.846 2.280 4.808 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 428 1 38 VAL HA 1 41 LEU QD 3.400 . 5.000 3.231 2.132 4.006 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 429 1 38 VAL HA 1 41 LEU HG 2.900 . 4.000 3.829 2.450 4.030 0.030 35 0 "[ . 1 . 2 . 3 . 4]" 1 430 1 38 VAL HA 1 42 GLY H 3.400 . 5.000 3.321 1.812 5.003 0.003 22 0 "[ . 1 . 2 . 3 . 4]" 1 431 1 38 VAL HB 1 39 PHE H 2.900 . 4.000 2.402 1.816 3.334 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 432 1 38 VAL HB 1 39 PHE QB 2.900 . 4.000 3.928 3.533 4.122 0.122 32 0 "[ . 1 . 2 . 3 . 4]" 1 433 1 38 VAL HB 1 40 LEU HA 3.400 . 5.000 3.935 2.704 5.006 0.006 14 0 "[ . 1 . 2 . 3 . 4]" 1 434 1 38 VAL QG 1 39 PHE H 2.900 . 4.000 3.051 2.130 3.502 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 435 1 38 VAL QG 1 39 PHE HA 3.400 . 5.000 3.741 3.087 4.208 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 436 1 38 VAL QG 1 39 PHE QB 3.400 . 5.000 4.100 3.451 4.298 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 437 1 38 VAL QG 1 39 PHE QD 3.900 . 6.000 4.542 3.272 5.257 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 438 1 38 VAL QG 1 41 LEU QB 3.400 . 5.000 3.725 3.099 5.010 0.010 28 0 "[ . 1 . 2 . 3 . 4]" 1 439 1 38 VAL QG 1 42 GLY H 3.400 . 5.000 3.477 2.438 4.533 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 440 1 38 VAL QG 1 42 GLY QA 3.400 . 5.000 3.469 2.048 5.004 0.004 33 0 "[ . 1 . 2 . 3 . 4]" 1 441 1 39 PHE H 1 39 PHE HA 2.900 . 4.000 2.780 2.711 2.946 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 442 1 39 PHE H 1 39 PHE QB 2.900 . 4.000 2.176 2.053 2.378 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 443 1 39 PHE H 1 39 PHE QD 3.400 . 5.000 3.781 1.839 4.242 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 444 1 39 PHE H 1 40 LEU H 2.900 . 4.000 2.893 2.291 3.237 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 445 1 39 PHE HA 1 39 PHE QD 3.400 . 5.000 2.702 2.452 3.022 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 446 1 39 PHE HA 1 40 LEU H 2.900 . 4.000 3.398 2.853 3.575 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 447 1 39 PHE HA 1 42 GLY H 3.400 . 5.000 4.308 3.644 4.817 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 448 1 39 PHE QB 1 40 LEU H 2.900 . 4.000 2.861 2.013 3.872 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 449 1 39 PHE QB 1 43 THR MG 3.900 . 6.000 4.343 3.298 5.377 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 450 1 39 PHE QD 1 40 LEU H 3.400 . 5.000 4.288 3.016 4.928 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 451 1 39 PHE QD 1 40 LEU QD 3.900 . 6.000 3.345 2.108 5.074 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 452 1 39 PHE QD 1 40 LEU HG 3.900 . 6.000 3.318 2.347 5.614 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 453 1 39 PHE QD 1 43 THR MG 3.400 . 5.000 3.881 2.809 4.912 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 454 1 40 LEU H 1 40 LEU QB 2.900 . 4.000 2.496 2.124 3.340 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 455 1 40 LEU H 1 40 LEU QD 3.400 . 5.000 3.158 1.796 3.914 0.004 17 0 "[ . 1 . 2 . 3 . 4]" 1 456 1 40 LEU H 1 40 LEU HG 2.900 . 4.000 3.162 2.361 4.043 0.043 35 0 "[ . 1 . 2 . 3 . 4]" 1 457 1 40 LEU H 1 44 THR MG 3.400 . 5.000 4.693 3.911 5.033 0.033 35 0 "[ . 1 . 2 . 3 . 4]" 1 458 1 40 LEU HA 1 40 LEU QD 2.900 . 4.000 2.459 2.108 3.420 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 459 1 40 LEU HA 1 40 LEU HG 2.900 . 4.000 2.516 2.305 3.573 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 460 1 40 LEU HA 1 42 GLY H 3.900 . 6.000 4.803 4.274 5.185 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 461 1 40 LEU HA 1 44 THR H 3.400 . 5.000 3.566 2.429 4.599 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 462 1 40 LEU HA 1 44 THR MG 3.400 . 5.000 2.971 2.123 3.788 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 463 1 40 LEU QB 1 41 LEU H 2.900 . 4.000 3.821 3.254 3.959 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 464 1 40 LEU QB 1 44 THR MG 3.400 . 5.000 3.744 2.726 4.669 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 465 1 40 LEU QD 1 44 THR HB 3.900 . 6.000 3.487 2.257 4.458 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 466 1 40 LEU QD 1 43 THR H 3.900 . 6.000 5.695 4.856 6.009 0.009 37 0 "[ . 1 . 2 . 3 . 4]" 1 467 1 40 LEU QD 1 44 THR H 3.900 . 6.000 4.604 3.236 5.664 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 468 1 40 LEU HG 1 42 GLY H 3.400 . 5.000 2.413 2.118 3.356 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 469 1 40 LEU HG 1 43 THR MG 3.400 . 5.000 4.778 3.919 5.016 0.016 15 0 "[ . 1 . 2 . 3 . 4]" 1 470 1 41 LEU H 1 41 LEU HA 2.900 . 4.000 2.889 2.825 2.961 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 471 1 41 LEU H 1 41 LEU QB 3.400 . 4.000 2.828 2.581 3.383 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 472 1 41 LEU H 1 41 LEU QD 3.400 . 5.000 3.745 2.373 4.036 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 473 1 41 LEU H 1 41 LEU HG 3.400 . 5.000 4.023 1.909 5.020 0.020 33 0 "[ . 1 . 2 . 3 . 4]" 1 474 1 41 LEU H 1 42 GLY H 2.900 . 4.000 2.247 1.869 2.572 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 475 1 41 LEU H 1 42 GLY QA 3.400 . 4.000 3.958 3.803 4.020 0.020 34 0 "[ . 1 . 2 . 3 . 4]" 1 476 1 41 LEU H 1 43 THR H 3.400 . 5.000 2.740 2.321 3.663 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 477 1 41 LEU H 1 44 THR HB 3.400 . 5.000 4.759 3.270 5.044 0.044 15 0 "[ . 1 . 2 . 3 . 4]" 1 478 1 41 LEU H 1 44 THR MG 3.400 . 5.000 2.761 2.223 3.911 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 479 1 41 LEU H 1 45 GLY H 2.900 . 4.000 3.181 2.421 3.658 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 480 1 41 LEU HA 1 41 LEU QD 2.900 . 4.000 2.204 1.933 3.412 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 481 1 41 LEU HA 1 41 LEU HG 2.900 . 4.000 3.227 2.348 3.575 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 482 1 41 LEU HA 1 43 THR H 2.900 . 4.000 3.685 3.404 4.004 0.004 33 0 "[ . 1 . 2 . 3 . 4]" 1 483 1 41 LEU HA 1 44 THR MG 2.900 . 4.000 2.284 2.090 2.729 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 484 1 41 LEU QB 1 41 LEU QD . . 2.800 1.933 1.850 2.002 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 485 1 41 LEU QB 1 41 LEU HG 2.300 . 2.800 2.349 2.192 2.547 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 486 1 41 LEU QB 1 42 GLY H 2.900 . 4.000 2.415 2.118 3.370 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 487 1 41 LEU QB 1 43 THR MG 3.400 . 5.000 4.800 4.161 5.080 0.080 14 0 "[ . 1 . 2 . 3 . 4]" 1 488 1 41 LEU QB 1 44 THR MG 2.900 . 4.000 3.777 3.496 4.007 0.007 10 0 "[ . 1 . 2 . 3 . 4]" 1 489 1 41 LEU QD 1 42 GLY QA 3.400 . 5.000 3.701 2.526 4.722 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 490 1 41 LEU QD 1 44 THR MG 2.900 . 4.000 3.312 2.731 4.065 0.065 37 0 "[ . 1 . 2 . 3 . 4]" 1 491 1 41 LEU QD 1 45 GLY H 3.900 . 6.000 3.369 2.110 4.398 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 492 1 41 LEU HG 1 44 THR MG 3.400 . 5.000 4.593 3.895 5.043 0.043 15 0 "[ . 1 . 2 . 3 . 4]" 1 493 1 42 GLY H 1 43 THR H 2.900 . 4.000 2.750 2.388 3.063 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 494 1 42 GLY H 1 43 THR MG 3.900 . 6.000 3.425 2.859 3.916 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 495 1 42 GLY H 1 43 THR MG 3.400 . 5.000 3.354 2.830 3.779 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 496 1 42 GLY H 1 44 THR MG 3.400 . 5.000 3.902 3.533 4.304 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 497 1 42 GLY QA 1 43 THR H 2.900 . 4.000 2.876 2.701 2.923 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 498 1 43 THR H 1 43 THR HA 2.900 . 4.000 2.906 2.836 2.952 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 499 1 43 THR H 1 43 THR HB 2.900 . 4.000 3.565 3.267 3.803 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 500 1 43 THR H 1 43 THR MG 2.900 . 4.000 2.195 1.936 2.734 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 501 1 43 THR H 1 46 ASN H 3.400 . 5.000 4.148 3.090 4.787 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 502 1 43 THR H 1 44 THR MG 3.400 . 5.000 2.434 2.174 2.716 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 503 1 43 THR HA 1 43 THR HB 2.300 . 2.800 2.356 2.238 2.623 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 504 1 43 THR HA 1 43 THR MG 2.900 . 4.000 3.140 2.915 3.194 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 505 1 43 THR HA 1 46 ASN H 2.900 . 4.000 3.720 2.610 4.065 0.065 30 0 "[ . 1 . 2 . 3 . 4]" 1 506 1 43 THR HB 1 44 THR MG 3.400 . 5.000 4.856 4.572 5.009 0.009 30 0 "[ . 1 . 2 . 3 . 4]" 1 507 1 43 THR HB 1 45 GLY H 3.400 . 5.000 4.165 3.424 5.025 0.025 16 0 "[ . 1 . 2 . 3 . 4]" 1 508 1 43 THR MG 1 45 GLY H 3.900 . 6.000 3.523 2.105 4.298 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 509 1 43 THR MG 1 46 ASN QD 3.900 . 6.000 5.208 3.736 6.003 0.003 5 0 "[ . 1 . 2 . 3 . 4]" 1 510 1 44 THR H 1 44 THR HA . . 2.800 2.356 2.296 2.854 0.054 2 0 "[ . 1 . 2 . 3 . 4]" 1 511 1 44 THR H 1 44 THR HB 2.900 . 4.000 3.498 2.722 3.962 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 512 1 44 THR H 1 44 THR MG 2.900 . 4.000 2.442 1.799 3.062 0.001 2 0 "[ . 1 . 2 . 3 . 4]" 1 513 1 44 THR H 1 45 GLY H 2.900 . 4.000 2.945 2.736 4.079 0.079 24 0 "[ . 1 . 2 . 3 . 4]" 1 514 1 44 THR HA 1 46 ASN H 3.400 . 5.000 4.244 3.748 4.867 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 515 1 44 THR HA 1 44 THR MG 2.900 . 4.000 2.833 2.538 3.208 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 516 1 44 THR HA 1 45 GLY H 2.900 . 4.000 3.097 2.479 3.527 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 517 1 44 THR HB 1 45 GLY H 3.400 . 5.000 4.501 3.447 4.668 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 518 1 44 THR MG 1 45 GLY H 3.400 . 5.000 3.640 1.790 4.161 0.010 16 0 "[ . 1 . 2 . 3 . 4]" 1 519 1 44 THR MG 1 45 GLY H 3.400 . 5.000 3.167 1.783 3.737 0.017 24 0 "[ . 1 . 2 . 3 . 4]" 1 520 1 44 THR MG 1 45 GLY QA 3.400 . 5.000 4.575 3.489 5.024 0.024 39 0 "[ . 1 . 2 . 3 . 4]" 1 521 1 44 THR MG 1 46 ASN H 3.400 . 5.000 3.653 2.107 4.650 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 522 1 44 THR MG 1 46 ASN QB 3.400 . 5.000 3.951 2.300 5.002 0.002 24 0 "[ . 1 . 2 . 3 . 4]" 1 523 1 44 THR MG 1 46 ASN QB 3.900 . 6.000 3.870 2.298 4.820 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 524 1 44 THR MG 1 46 ASN QD 3.900 . 5.000 3.260 2.113 4.945 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 525 1 44 THR MG 1 47 GLY H 3.400 . 5.000 4.804 3.737 5.018 0.018 37 0 "[ . 1 . 2 . 3 . 4]" 1 526 1 44 THR MG 1 47 GLY QA 3.900 . 6.000 5.344 4.014 6.006 0.006 10 0 "[ . 1 . 2 . 3 . 4]" 1 527 1 45 GLY H 1 45 GLY QA 2.300 . 2.800 2.299 2.198 2.489 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 528 1 45 GLY H 1 47 GLY QA 3.400 . 5.000 4.673 3.661 5.103 0.103 24 0 "[ . 1 . 2 . 3 . 4]" 1 529 1 45 GLY H 1 48 LEU H 3.400 . 5.000 4.256 3.112 4.996 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 530 1 45 GLY QA 1 48 LEU QB 3.400 . 5.000 4.378 3.164 5.008 0.008 16 0 "[ . 1 . 2 . 3 . 4]" 1 531 1 45 GLY QA 1 48 LEU HG 2.900 . 4.000 3.033 2.328 4.005 0.005 28 0 "[ . 1 . 2 . 3 . 4]" 1 532 1 45 GLY QA 1 49 VAL H 3.400 . 5.000 4.896 4.364 5.052 0.052 29 0 "[ . 1 . 2 . 3 . 4]" 1 533 1 46 ASN H 1 46 ASN HA 2.900 . 4.000 2.886 2.315 2.962 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 534 1 46 ASN H 1 46 ASN QB 2.900 . 4.000 2.528 2.052 3.358 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 535 1 46 ASN H 1 46 ASN QD 2.900 . 4.000 2.804 1.974 4.003 0.003 14 0 "[ . 1 . 2 . 3 . 4]" 1 536 1 46 ASN H 1 47 GLY H 2.900 . 4.000 2.308 1.790 2.942 0.010 10 0 "[ . 1 . 2 . 3 . 4]" 1 537 1 46 ASN H 1 48 LEU H 3.400 . 5.000 3.975 2.934 4.848 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 538 1 46 ASN HA 1 46 ASN QB 2.300 . 2.800 2.262 2.154 2.462 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 539 1 46 ASN HA 1 46 ASN QD 3.400 . 5.000 3.727 2.189 4.427 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 540 1 46 ASN HA 1 47 GLY H 2.900 . 4.000 3.288 3.022 3.546 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 541 1 46 ASN HA 1 49 VAL HB 3.400 . 5.000 3.174 2.391 4.992 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 542 1 46 ASN HA 1 49 VAL QG 2.900 . 4.000 3.267 2.295 4.079 0.079 29 0 "[ . 1 . 2 . 3 . 4]" 1 543 1 46 ASN HA 1 49 VAL QG 3.400 . 5.000 3.255 2.294 4.031 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 544 1 46 ASN HA 1 50 LEU H 3.400 . 5.000 3.579 2.318 4.803 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 545 1 46 ASN QB 1 46 ASN QD 2.900 . 4.000 2.376 2.196 2.762 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 546 1 46 ASN QB 1 47 GLY H 2.900 . 4.000 3.510 2.683 3.993 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 547 1 46 ASN QB 1 50 LEU QD 3.400 . 5.000 3.533 2.212 5.019 0.019 29 0 "[ . 1 . 2 . 3 . 4]" 1 548 1 47 GLY H 1 48 LEU H 2.900 . 4.000 2.196 1.792 2.497 0.008 5 0 "[ . 1 . 2 . 3 . 4]" 1 549 1 47 GLY H 1 48 LEU HA 3.400 . 5.000 4.884 4.526 5.081 0.081 29 0 "[ . 1 . 2 . 3 . 4]" 1 550 1 47 GLY H 1 48 LEU QB 3.400 . 5.000 4.697 4.230 4.977 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 551 1 47 GLY H 1 49 VAL QG 3.400 . 5.000 4.015 3.239 5.009 0.009 29 0 "[ . 1 . 2 . 3 . 4]" 1 552 1 47 GLY H 1 50 LEU QD 3.900 . 6.000 5.366 4.109 6.004 0.004 36 0 "[ . 1 . 2 . 3 . 4]" 1 553 1 47 GLY QA 1 48 LEU H 2.900 . 4.000 2.825 2.510 2.922 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 554 1 47 GLY QA 1 48 LEU QD 3.400 . 5.000 2.712 2.261 3.767 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 555 1 47 GLY QA 1 51 TRP QB 3.400 . 5.000 2.747 2.153 4.131 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 556 1 47 GLY QA 1 51 TRP HE1 3.900 . 6.000 5.695 4.587 6.032 0.032 29 0 "[ . 1 . 2 . 3 . 4]" 1 557 1 48 LEU H 1 48 LEU HA 2.900 . 4.000 2.932 2.757 2.962 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 558 1 48 LEU H 1 48 LEU QB 2.900 . 4.000 3.013 2.685 3.330 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 559 1 48 LEU H 1 48 LEU QD 3.400 . 4.000 2.427 1.788 2.990 0.012 24 0 "[ . 1 . 2 . 3 . 4]" 1 560 1 48 LEU H 1 48 LEU HG . . 2.800 1.977 1.768 2.338 0.032 24 0 "[ . 1 . 2 . 3 . 4]" 1 561 1 48 LEU H 1 52 THR HA 3.400 . 5.000 3.342 2.890 3.523 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 562 1 48 LEU H 1 49 VAL HB 3.400 . 5.000 4.258 3.698 5.021 0.021 24 0 "[ . 1 . 2 . 3 . 4]" 1 563 1 48 LEU HA 1 48 LEU QB . . 2.800 2.189 2.158 2.246 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 564 1 48 LEU HA 1 48 LEU QD 2.900 . 4.000 2.767 2.186 3.426 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 565 1 48 LEU HA 1 48 LEU HG 2.900 . 4.000 3.540 3.413 3.624 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 566 1 48 LEU HA 1 49 VAL H 2.900 . 4.000 3.049 2.633 3.474 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 567 1 48 LEU HA 1 49 VAL QG 3.400 . 5.000 4.248 3.889 4.643 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 568 1 48 LEU HA 1 50 LEU H 3.400 . 5.000 4.793 3.820 5.017 0.017 14 0 "[ . 1 . 2 . 3 . 4]" 1 569 1 48 LEU HA 1 51 TRP QB 3.400 . 5.000 3.953 2.292 4.955 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 570 1 48 LEU QB 1 48 LEU QD 2.300 . 2.800 1.900 1.852 1.942 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 571 1 48 LEU QB 1 49 VAL HA 3.400 . 5.000 4.305 3.692 4.614 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 572 1 48 LEU QD 1 49 VAL H 3.400 . 5.000 3.884 1.817 4.333 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 573 1 48 LEU QD 1 52 THR H 3.400 . 5.000 4.511 4.239 4.793 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 574 1 48 LEU QD 1 51 TRP HE1 3.900 . 6.000 5.716 3.660 6.007 0.007 39 0 "[ . 1 . 2 . 3 . 4]" 1 575 1 48 LEU HG 1 49 VAL QG 2.900 . 4.000 3.227 2.173 4.011 0.011 37 0 "[ . 1 . 2 . 3 . 4]" 1 576 1 49 VAL H 1 49 VAL HA 2.900 . 4.000 2.894 2.293 2.962 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 577 1 49 VAL H 1 49 VAL HB 2.900 . 4.000 2.770 2.391 3.817 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 578 1 49 VAL H 1 49 VAL QG 2.900 . 4.000 2.679 1.838 3.027 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 579 1 49 VAL H 1 50 LEU H 2.900 . 4.000 2.283 1.795 4.020 0.020 39 0 "[ . 1 . 2 . 3 . 4]" 1 580 1 49 VAL H 1 50 LEU HA 2.900 . 4.000 3.600 2.966 4.068 0.068 36 0 "[ . 1 . 2 . 3 . 4]" 1 581 1 49 VAL H 1 51 TRP H 2.900 . 4.000 3.290 2.492 4.081 0.081 29 0 "[ . 1 . 2 . 3 . 4]" 1 582 1 49 VAL H 1 52 THR HB 3.400 . 5.000 3.702 3.207 4.452 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 583 1 49 VAL H 1 53 VAL HA 2.900 . 4.000 2.853 2.750 2.962 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 584 1 49 VAL HA 1 49 VAL HB 2.900 . 4.000 3.013 2.672 3.031 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 585 1 49 VAL HA 1 49 VAL QG 2.900 . 4.000 2.066 2.025 2.152 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 586 1 49 VAL HA 1 50 LEU H 3.400 . 4.000 3.549 3.222 3.577 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 587 1 49 VAL HA 1 52 THR H 3.400 . 5.000 4.492 3.913 5.001 0.001 32 0 "[ . 1 . 2 . 3 . 4]" 1 588 1 49 VAL HA 1 52 THR MG 2.900 . 4.000 2.976 2.164 4.003 0.003 11 0 "[ . 1 . 2 . 3 . 4]" 1 589 1 49 VAL HB 1 50 LEU H 2.900 . 4.000 2.404 1.787 3.650 0.013 39 0 "[ . 1 . 2 . 3 . 4]" 1 590 1 49 VAL HB 1 50 LEU QB 2.900 . 4.000 3.800 3.464 4.111 0.111 39 0 "[ . 1 . 2 . 3 . 4]" 1 591 1 49 VAL QG 1 50 LEU H 3.400 . 4.000 3.001 1.881 3.663 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 592 1 49 VAL QG 1 50 LEU HA 2.900 . 4.000 3.593 3.048 4.018 0.018 36 0 "[ . 1 . 2 . 3 . 4]" 1 593 1 49 VAL QG 1 50 LEU QB 2.900 . 4.000 3.452 2.694 4.013 0.013 15 0 "[ . 1 . 2 . 3 . 4]" 1 594 1 49 VAL QG 1 52 THR H 3.400 . 5.000 4.778 4.344 5.019 0.019 38 0 "[ . 1 . 2 . 3 . 4]" 1 595 1 49 VAL QG 1 52 THR HB 3.400 . 5.000 4.885 4.572 5.031 0.031 36 0 "[ . 1 . 2 . 3 . 4]" 1 596 1 49 VAL QG 1 52 THR MG 2.900 . 4.000 3.569 3.177 4.011 0.011 14 0 "[ . 1 . 2 . 3 . 4]" 1 597 1 50 LEU H 1 50 LEU QB 3.400 . 4.000 2.540 2.216 2.889 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 598 1 50 LEU H 1 50 LEU QD 3.900 . 4.000 3.166 2.244 3.902 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 599 1 50 LEU H 1 50 LEU HG 3.400 . 5.000 3.141 1.815 4.767 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 600 1 50 LEU H 1 51 TRP H 2.900 . 4.000 2.369 2.014 2.773 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 601 1 50 LEU H 1 51 TRP QB 3.400 . 5.000 4.005 3.765 4.492 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 602 1 50 LEU H 1 52 THR H 3.900 . 6.000 3.618 2.624 4.550 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 603 1 50 LEU H 1 53 VAL HA 3.400 . 5.000 3.954 3.169 4.883 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 604 1 50 LEU H 1 53 VAL HB 3.900 . 6.000 5.431 5.009 6.010 0.010 21 0 "[ . 1 . 2 . 3 . 4]" 1 605 1 50 LEU H 1 53 VAL QG 3.900 . 6.000 4.128 3.567 4.584 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 606 1 50 LEU HA 1 50 LEU QD 2.900 . 4.000 2.993 1.962 3.428 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 607 1 50 LEU HA 1 50 LEU HG 2.900 . 4.000 3.070 2.348 3.617 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 608 1 50 LEU HA 1 51 TRP H 2.900 . 4.000 3.500 3.182 3.577 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 609 1 50 LEU HA 1 53 VAL QG 3.400 . 5.000 2.559 2.172 3.552 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 610 1 50 LEU QB 1 51 TRP H 3.400 . 4.000 2.910 1.800 3.934 0.000 19 0 "[ . 1 . 2 . 3 . 4]" 1 611 1 50 LEU QB 1 52 THR H 3.900 . 6.000 4.313 3.827 4.916 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 612 1 50 LEU QB 1 52 THR MG 3.400 . 5.000 4.678 4.208 5.006 0.006 15 0 "[ . 1 . 2 . 3 . 4]" 1 613 1 50 LEU QB 1 53 VAL HA 3.400 . 5.000 3.933 2.330 5.027 0.027 36 0 "[ . 1 . 2 . 3 . 4]" 1 614 1 50 LEU QB 1 53 VAL QG 2.900 . 4.000 3.864 2.830 4.010 0.010 4 0 "[ . 1 . 2 . 3 . 4]" 1 615 1 50 LEU QB 1 53 VAL QG 2.900 . 4.000 3.435 2.803 3.758 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 616 1 50 LEU QD 1 51 TRP QB 3.900 . 6.000 3.475 2.476 5.267 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 617 1 50 LEU QD 1 54 PHE QB 3.400 . 5.000 4.435 1.997 5.009 0.009 3 0 "[ . 1 . 2 . 3 . 4]" 1 618 1 50 LEU QD 1 54 PHE QD 3.900 . 6.000 4.487 2.539 5.843 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 619 1 50 LEU HG 1 51 TRP H 2.900 . 4.000 2.959 1.804 4.160 0.160 39 0 "[ . 1 . 2 . 3 . 4]" 1 620 1 51 TRP H 1 51 TRP HA 2.900 . 4.000 2.817 2.712 2.923 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 621 1 51 TRP H 1 51 TRP QB 3.400 . 4.000 2.146 2.045 2.276 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 622 1 51 TRP H 1 51 TRP HD1 3.900 . 6.000 4.200 2.918 5.404 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 623 1 51 TRP H 1 51 TRP HD1 3.900 . 6.000 3.470 2.041 4.985 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 624 1 51 TRP H 1 51 TRP HE3 3.900 . 6.000 5.134 3.031 5.704 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 625 1 51 TRP HA 1 52 THR H 2.900 . 4.000 3.411 3.105 3.554 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 626 1 51 TRP HA 1 53 VAL QG 3.900 . 6.000 4.691 4.127 5.640 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 627 1 51 TRP HA 1 54 PHE H 2.900 . 4.000 3.672 3.018 4.013 0.013 11 0 "[ . 1 . 2 . 3 . 4]" 1 628 1 51 TRP QB 1 51 TRP HD1 3.400 . 5.000 2.606 2.457 2.930 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 629 1 51 TRP QB 1 52 THR H 2.900 . 4.000 3.194 2.587 3.628 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 630 1 51 TRP HD1 1 52 THR H 3.900 . 6.000 3.971 2.064 5.935 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 631 1 51 TRP HE1 1 55 ARG QB 3.900 . 6.000 3.930 2.504 5.702 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 632 1 51 TRP HE1 1 55 ARG QD 3.400 . 4.000 3.085 1.799 4.058 0.058 22 0 "[ . 1 . 2 . 3 . 4]" 1 633 1 51 TRP HE1 1 55 ARG HE 3.900 . 6.000 5.079 2.950 6.006 0.006 11 0 "[ . 1 . 2 . 3 . 4]" 1 634 1 51 TRP HE1 1 55 ARG QH 3.400 . 5.000 3.920 2.168 5.019 0.019 15 0 "[ . 1 . 2 . 3 . 4]" 1 635 1 51 TRP HE3 1 52 THR H 3.900 . 6.000 5.636 2.397 6.015 0.015 17 0 "[ . 1 . 2 . 3 . 4]" 1 636 1 51 TRP HH2 1 53 VAL H 3.400 . 5.000 4.710 3.565 5.033 0.033 20 0 "[ . 1 . 2 . 3 . 4]" 1 637 1 51 TRP HH2 1 53 VAL QG 3.400 . 5.000 3.498 2.327 5.007 0.007 5 0 "[ . 1 . 2 . 3 . 4]" 1 638 1 51 TRP HZ2 1 55 ARG QD 3.400 . 5.000 3.143 2.213 5.001 0.001 32 0 "[ . 1 . 2 . 3 . 4]" 1 639 1 51 TRP HZ2 1 55 ARG HE 3.400 . 5.000 4.350 2.331 5.035 0.035 36 0 "[ . 1 . 2 . 3 . 4]" 1 640 1 52 THR H 1 52 THR HA 2.900 . 4.000 2.867 2.733 2.962 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 641 1 52 THR H 1 52 THR HB 2.900 . 4.000 2.534 2.307 3.055 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 642 1 52 THR H 1 52 THR MG 2.900 . 4.000 2.174 1.797 2.447 0.003 14 0 "[ . 1 . 2 . 3 . 4]" 1 643 1 52 THR H 1 53 VAL H 2.900 . 4.000 2.549 1.980 3.047 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 644 1 52 THR HA 1 52 THR HB 2.900 . 4.000 2.534 2.387 2.621 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 645 1 52 THR HA 1 52 THR MG 2.900 . 4.000 3.178 3.155 3.195 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 646 1 52 THR HA 1 55 ARG QB 2.900 . 4.000 2.669 2.158 4.012 0.012 36 0 "[ . 1 . 2 . 3 . 4]" 1 647 1 52 THR HB 1 53 VAL H 3.400 . 5.000 4.081 3.754 4.607 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 648 1 52 THR HB 1 56 LYS H 3.900 . 6.000 5.811 4.939 6.063 0.063 29 0 "[ . 1 . 2 . 3 . 4]" 1 649 1 52 THR MG 1 53 VAL H 2.900 . 4.000 2.387 1.782 3.594 0.018 20 0 "[ . 1 . 2 . 3 . 4]" 1 650 1 52 THR MG 1 53 VAL HA 3.400 . 5.000 3.305 2.920 4.084 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 651 1 52 THR MG 1 53 VAL HB 3.900 . 6.000 4.073 3.450 4.768 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 652 1 52 THR MG 1 53 VAL QG 2.900 . 4.000 2.247 1.959 2.591 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 653 1 52 THR MG 1 56 LYS H 2.900 . 4.000 3.463 2.180 3.803 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 654 1 52 THR MG 1 56 LYS QE 3.400 . 5.000 3.690 2.242 5.005 0.005 28 0 "[ . 1 . 2 . 3 . 4]" 1 655 1 53 VAL H 1 53 VAL HA 2.900 . 4.000 2.854 2.750 2.962 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 656 1 53 VAL H 1 53 VAL HB 2.900 . 4.000 2.608 2.332 2.889 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 657 1 53 VAL H 1 53 VAL QG 2.900 . 4.000 2.247 1.799 3.047 0.001 4 0 "[ . 1 . 2 . 3 . 4]" 1 658 1 53 VAL H 1 54 PHE QB 3.400 . 5.000 4.370 3.633 4.950 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 659 1 53 VAL H 1 56 LYS QE 3.400 . 5.000 4.925 3.946 5.045 0.045 22 0 "[ . 1 . 2 . 3 . 4]" 1 660 1 53 VAL HA 1 53 VAL HB 2.900 . 4.000 3.023 2.998 3.029 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 661 1 53 VAL HA 1 53 VAL QG 2.900 . 4.000 2.068 2.026 2.102 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 662 1 53 VAL HA 1 54 PHE H 3.400 . 4.000 3.520 3.219 3.575 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 663 1 53 VAL HA 1 57 LYS H 3.400 . 5.000 4.704 3.576 5.015 0.015 17 0 "[ . 1 . 2 . 3 . 4]" 1 664 1 53 VAL HB 1 54 PHE H 2.900 . 4.000 2.596 1.876 3.689 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 665 1 53 VAL HB 1 54 PHE QB 2.900 . 4.000 3.918 3.626 4.010 0.010 25 0 "[ . 1 . 2 . 3 . 4]" 1 666 1 53 VAL QG 1 54 PHE H 2.900 . 4.000 3.183 2.692 3.615 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 667 1 53 VAL QG 1 54 PHE HA 3.400 . 5.000 3.610 3.090 4.259 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 668 1 53 VAL QG 1 54 PHE QB 3.400 . 5.000 4.014 3.366 4.299 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 669 1 53 VAL QG 1 54 PHE QD 3.900 . 6.000 3.506 2.327 5.063 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 670 1 53 VAL QG 1 56 LYS QB 3.400 . 5.000 4.010 3.038 4.858 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 671 1 53 VAL QG 1 56 LYS QE 3.900 . 6.000 3.543 2.211 5.515 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 672 1 53 VAL QG 1 57 LYS QE 3.400 . 5.000 3.368 2.022 5.000 0.000 11 0 "[ . 1 . 2 . 3 . 4]" 1 673 1 53 VAL QG 1 57 LYS QG 2.900 . 4.000 3.565 2.094 4.003 0.003 11 0 "[ . 1 . 2 . 3 . 4]" 1 674 1 54 PHE H 1 54 PHE HA 2.900 . 4.000 2.900 2.721 2.962 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 675 1 54 PHE H 1 54 PHE QB 2.900 . 4.000 2.231 2.047 2.583 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 676 1 54 PHE H 1 54 PHE QD 3.400 . 5.000 3.023 2.081 4.150 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 677 1 54 PHE HA 1 54 PHE QD 3.900 . 5.000 2.926 2.444 3.653 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 678 1 54 PHE HA 1 55 ARG H 2.900 . 4.000 3.140 2.549 3.478 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 679 1 54 PHE HA 1 57 LYS H 3.400 . 5.000 4.143 3.700 4.808 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 680 1 54 PHE QB 1 55 ARG H 2.900 . 4.000 3.566 3.041 3.984 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 681 1 54 PHE QB 1 55 ARG HA 3.400 . 5.000 4.330 3.950 4.901 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 682 1 54 PHE QD 1 55 ARG H 3.400 . 5.000 4.508 2.467 4.954 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 683 1 55 ARG H 1 55 ARG QB 2.900 . 4.000 2.504 2.283 2.886 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 684 1 55 ARG H 1 55 ARG QD 3.400 . 5.000 4.584 3.959 5.014 0.014 15 0 "[ . 1 . 2 . 3 . 4]" 1 685 1 55 ARG H 1 55 ARG QG 3.400 . 5.000 4.033 2.219 4.313 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 686 1 55 ARG H 1 56 LYS H 2.900 . 4.000 2.203 1.797 2.655 0.003 36 0 "[ . 1 . 2 . 3 . 4]" 1 687 1 55 ARG HA 1 55 ARG QD 3.400 . 4.000 3.236 2.313 4.157 0.157 36 0 "[ . 1 . 2 . 3 . 4]" 1 688 1 55 ARG HA 1 55 ARG HE 3.400 . 5.000 3.670 1.814 5.065 0.065 38 0 "[ . 1 . 2 . 3 . 4]" 1 689 1 55 ARG HA 1 55 ARG QG 2.900 . 4.000 2.421 2.265 3.364 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 690 1 55 ARG HA 1 56 LYS H 3.400 . 4.000 3.551 3.434 3.575 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 691 1 55 ARG QB 1 55 ARG QD 2.900 . 4.000 2.171 2.095 2.268 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 692 1 55 ARG QB 1 55 ARG HE 3.400 . 4.000 3.483 2.302 4.099 0.099 22 0 "[ . 1 . 2 . 3 . 4]" 1 693 1 55 ARG QB 1 55 ARG QH 3.400 . 5.000 3.606 1.780 3.975 0.020 17 0 "[ . 1 . 2 . 3 . 4]" 1 694 1 55 ARG QB 1 56 LYS H 3.400 . 5.000 2.412 1.872 3.654 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 695 1 55 ARG QB 1 56 LYS HA 3.400 . 5.000 4.036 3.833 4.614 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 696 1 55 ARG QD 1 55 ARG QH 2.900 . 4.000 1.824 1.747 1.929 0.053 29 0 "[ . 1 . 2 . 3 . 4]" 1 697 1 55 ARG HE 1 55 ARG QG 2.900 . 4.000 2.508 2.119 3.198 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 698 1 55 ARG HE 1 55 ARG QH 2.900 . 4.000 2.206 2.194 2.208 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 699 1 55 ARG HE 1 59 HIS HA 2.900 . 4.000 3.322 1.885 4.007 0.007 15 0 "[ . 1 . 2 . 3 . 4]" 1 700 1 55 ARG QG 1 55 ARG QH 3.400 . 5.000 3.017 2.031 3.530 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 701 1 55 ARG QG 1 56 LYS HA 2.900 . 4.000 3.832 3.332 4.050 0.050 22 0 "[ . 1 . 2 . 3 . 4]" 1 702 1 55 ARG QH 1 59 HIS HA 2.900 . 4.000 3.532 1.904 4.005 0.005 17 0 "[ . 1 . 2 . 3 . 4]" 1 703 1 56 LYS H 1 56 LYS HA 2.900 . 4.000 2.806 2.739 2.948 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 704 1 56 LYS H 1 56 LYS QB . . 2.800 2.488 2.157 2.747 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 705 1 56 LYS H 1 56 LYS QD 2.900 . 4.000 3.668 2.005 4.038 0.038 20 0 "[ . 1 . 2 . 3 . 4]" 1 706 1 56 LYS H 1 56 LYS QE 3.400 . 5.000 4.095 2.950 4.782 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 707 1 56 LYS H 1 56 LYS QG . . 2.800 2.191 1.787 2.801 0.013 22 0 "[ . 1 . 2 . 3 . 4]" 1 708 1 56 LYS H 1 57 LYS H 2.900 . 4.000 2.672 2.081 2.842 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 709 1 56 LYS H 1 57 LYS QG 2.900 . 4.000 3.863 3.273 4.015 0.015 15 0 "[ . 1 . 2 . 3 . 4]" 1 710 1 56 LYS H 1 58 GLY H 3.400 . 5.000 4.197 3.405 4.665 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 711 1 56 LYS HA 1 56 LYS QD 2.900 . 4.000 3.671 2.172 4.045 0.045 6 0 "[ . 1 . 2 . 3 . 4]" 1 712 1 56 LYS HA 1 56 LYS QE 3.900 . 6.000 4.777 3.900 5.700 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 713 1 56 LYS HA 1 56 LYS QG 2.900 . 4.000 2.858 2.184 3.344 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 714 1 56 LYS HA 1 57 LYS H 2.900 . 4.000 3.467 3.327 3.571 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 715 1 56 LYS HA 1 58 GLY H 2.900 . 4.000 3.742 3.243 4.013 0.013 15 0 "[ . 1 . 2 . 3 . 4]" 1 716 1 56 LYS QB 1 56 LYS QD 2.900 . 4.000 2.167 2.089 2.361 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 717 1 56 LYS QD 1 56 LYS QG 2.300 . 2.800 2.085 2.008 2.110 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 718 1 56 LYS QD 1 58 GLY H 3.400 . 5.000 4.558 3.543 5.008 0.008 18 0 "[ . 1 . 2 . 3 . 4]" 1 719 1 57 LYS H 1 57 LYS HA 2.900 . 4.000 2.833 2.754 2.946 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 720 1 57 LYS H 1 57 LYS QB . . 2.800 2.594 2.469 2.809 0.009 11 0 "[ . 1 . 2 . 3 . 4]" 1 721 1 57 LYS H 1 57 LYS QD 3.400 . 4.000 3.702 2.522 4.013 0.013 6 0 "[ . 1 . 2 . 3 . 4]" 1 722 1 57 LYS H 1 57 LYS QE 3.400 . 5.000 4.253 2.551 4.839 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 723 1 57 LYS H 1 57 LYS QG 3.400 . 4.000 1.992 1.799 2.188 0.001 25 0 "[ . 1 . 2 . 3 . 4]" 1 724 1 57 LYS H 1 58 GLY H . . 2.800 2.604 2.143 2.803 0.003 14 0 "[ . 1 . 2 . 3 . 4]" 1 725 1 57 LYS H 1 58 GLY QA 3.400 . 5.000 4.547 4.126 4.743 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 726 1 57 LYS HA 1 57 LYS QB 2.300 . 2.800 2.303 2.191 2.369 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 727 1 57 LYS HA 1 57 LYS QD 2.900 . 4.000 3.151 2.127 4.021 0.021 6 0 "[ . 1 . 2 . 3 . 4]" 1 728 1 57 LYS HA 1 57 LYS QE 3.400 . 5.000 4.099 2.324 4.977 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 729 1 57 LYS HA 1 57 LYS QG 2.900 . 4.000 2.706 2.302 3.325 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 730 1 57 LYS HA 1 58 GLY H 2.900 . 4.000 3.424 3.140 3.535 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 731 1 57 LYS QB 1 57 LYS QD 2.900 . 4.000 2.214 2.097 2.846 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 732 1 57 LYS QB 1 57 LYS QE 3.400 . 5.000 3.070 2.084 3.739 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 733 1 57 LYS QB 1 58 GLY H 2.900 . 4.000 3.049 2.598 3.961 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 734 1 57 LYS QD 1 57 LYS QG 2.300 . 2.800 2.078 2.018 2.109 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 735 1 57 LYS QE 1 57 LYS QG 2.900 . 4.000 2.196 2.101 2.528 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 736 1 57 LYS QG 1 58 GLY H 3.400 . 4.000 3.810 2.416 4.036 0.036 15 0 "[ . 1 . 2 . 3 . 4]" 1 737 1 58 GLY H 1 58 GLY QA . . 2.800 2.457 2.294 2.506 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 738 1 58 GLY H 1 59 HIS HA 3.400 . 5.000 4.298 3.906 5.016 0.016 18 0 "[ . 1 . 2 . 3 . 4]" 1 739 1 58 GLY H 1 59 HIS QB 3.400 . 5.000 4.558 3.444 5.026 0.026 17 0 "[ . 1 . 2 . 3 . 4]" 1 740 1 58 GLY H 1 60 HIS H 3.400 . 5.000 4.709 2.788 5.011 0.011 36 0 "[ . 1 . 2 . 3 . 4]" 1 741 1 58 GLY QA 1 59 HIS H 2.300 . 2.800 2.357 2.131 2.866 0.066 36 0 "[ . 1 . 2 . 3 . 4]" 1 742 1 58 GLY QA 1 59 HIS QB 3.400 . 4.000 3.902 3.535 4.067 0.067 36 0 "[ . 1 . 2 . 3 . 4]" 1 743 1 58 GLY QA 1 60 HIS H 3.400 . 5.000 3.390 2.811 4.686 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 744 1 58 GLY QA 1 61 HIS H 3.400 . 5.000 3.645 2.339 4.860 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 745 1 58 GLY QA 1 62 HIS H 3.400 . 5.000 4.248 3.133 5.001 0.001 29 0 "[ . 1 . 2 . 3 . 4]" 1 746 1 59 HIS H 1 59 HIS HA 2.300 . 2.800 2.574 2.295 2.840 0.040 18 0 "[ . 1 . 2 . 3 . 4]" 1 747 1 59 HIS H 1 59 HIS QB 2.900 . 4.000 2.587 2.042 3.444 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 748 1 59 HIS H 1 59 HIS HD2 2.900 . 4.000 3.501 2.033 4.013 0.013 34 0 "[ . 1 . 2 . 3 . 4]" 1 749 1 59 HIS H 1 60 HIS H 2.900 . 4.000 3.022 1.989 4.014 0.014 10 0 "[ . 1 . 2 . 3 . 4]" 1 750 1 59 HIS HA 1 59 HIS QB . . 2.800 2.376 2.157 2.540 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 751 1 59 HIS QB 1 59 HIS HD2 2.900 . 4.000 2.931 2.698 3.158 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 752 1 60 HIS H 1 60 HIS HA 2.900 . 4.000 2.819 2.310 2.951 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 753 1 60 HIS H 1 60 HIS QB . . 2.800 2.579 2.113 2.845 0.045 11 0 "[ . 1 . 2 . 3 . 4]" 1 754 1 60 HIS H 1 60 HIS HD2 2.900 . 4.000 3.525 2.099 4.022 0.022 33 0 "[ . 1 . 2 . 3 . 4]" 1 755 1 60 HIS H 1 61 HIS H 2.900 . 4.000 2.566 1.790 3.797 0.010 29 0 "[ . 1 . 2 . 3 . 4]" 1 756 1 60 HIS HA 1 60 HIS QB 2.300 . 2.800 2.311 2.159 2.535 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 757 1 60 HIS HA 1 60 HIS HD2 3.400 . 5.000 3.977 2.347 4.837 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 758 1 60 HIS QB 1 60 HIS HD2 2.900 . 4.000 2.885 2.683 3.310 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 759 1 61 HIS H 1 61 HIS HA 2.900 . 4.000 2.615 2.296 2.952 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 760 1 61 HIS H 1 61 HIS QB 2.900 . 4.000 2.998 2.287 3.444 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 761 1 61 HIS H 1 61 HIS HD2 3.400 . 5.000 4.397 2.033 5.057 0.057 33 0 "[ . 1 . 2 . 3 . 4]" 1 762 1 61 HIS H 1 62 HIS H 2.900 . 4.000 3.514 2.426 4.115 0.115 20 0 "[ . 1 . 2 . 3 . 4]" 1 763 1 61 HIS HA 1 61 HIS QB 2.300 . 2.800 2.379 2.158 2.540 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 764 1 61 HIS HA 1 62 HIS H 2.300 . 2.800 2.354 2.147 2.929 0.129 18 0 "[ . 1 . 2 . 3 . 4]" 1 765 1 61 HIS QB 1 61 HIS HD2 2.900 . 4.000 2.943 2.685 3.321 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 766 1 62 HIS H 1 62 HIS QB 2.300 . 2.800 2.502 2.113 2.867 0.067 34 0 "[ . 1 . 2 . 3 . 4]" 1 767 1 62 HIS H 1 62 HIS HD2 3.400 . 5.000 4.470 2.009 5.009 0.009 6 0 "[ . 1 . 2 . 3 . 4]" 1 768 1 62 HIS H 1 63 HIS H 2.900 . 4.000 3.343 2.198 4.043 0.043 34 0 "[ . 1 . 2 . 3 . 4]" 1 769 1 62 HIS QB 1 63 HIS H 2.900 . 4.000 3.173 1.801 4.024 0.024 5 0 "[ . 1 . 2 . 3 . 4]" 1 770 1 63 HIS H 1 63 HIS HA 2.900 . 4.000 2.789 2.307 2.957 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 771 1 63 HIS H 1 63 HIS QB . . 2.800 2.637 2.164 2.838 0.038 35 0 "[ . 1 . 2 . 3 . 4]" 1 772 1 63 HIS H 1 63 HIS HD2 3.400 . 5.000 4.464 2.058 5.000 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 773 1 63 HIS H 1 64 HIS H 2.900 . 4.000 3.678 2.909 4.066 0.066 40 0 "[ . 1 . 2 . 3 . 4]" 1 774 1 63 HIS HA 1 63 HIS HD2 3.400 . 5.000 3.187 2.349 4.870 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 775 1 63 HIS HA 1 64 HIS H 2.300 . 2.800 2.565 2.147 2.952 0.152 18 0 "[ . 1 . 2 . 3 . 4]" 1 776 1 63 HIS QB 1 63 HIS HD2 3.400 . 5.000 3.005 2.682 3.305 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 777 1 64 HIS H 1 64 HIS HA 2.900 . 4.000 2.809 2.310 2.946 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 778 1 64 HIS H 1 64 HIS QB . . 2.800 2.406 2.054 2.803 0.003 6 0 "[ . 1 . 2 . 3 . 4]" 1 779 1 64 HIS H 1 64 HIS HD2 3.400 . 5.000 4.193 1.963 5.000 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 780 1 64 HIS QB 1 64 HIS HD2 2.900 . 4.000 2.925 2.681 3.319 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 stop_ save_
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