NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
474221 | 2jn3 | 15084 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2jn3 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 1371 _Distance_constraint_stats_list.Viol_count 1991 _Distance_constraint_stats_list.Viol_total 7682.508 _Distance_constraint_stats_list.Viol_max 1.569 _Distance_constraint_stats_list.Viol_rms 0.0683 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0140 _Distance_constraint_stats_list.Viol_average_violations_only 0.1929 _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 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 2 PHE 4.020 0.350 19 0 "[ . 1 . 2]" 1 3 SER 3.974 0.474 7 0 "[ . 1 . 2]" 1 4 GLY 6.570 0.474 7 0 "[ . 1 . 2]" 1 5 THR 2.602 0.523 15 2 "[ . 1 + -2]" 1 6 TRP 6.634 0.470 4 0 "[ . 1 . 2]" 1 7 GLN 0.496 0.277 17 0 "[ . 1 . 2]" 1 8 VAL 6.506 0.588 16 3 "[ . 1 -+ *2]" 1 9 TYR 15.635 1.569 17 4 "[ . 1 -*+ *2]" 1 10 ALA 1.546 0.336 17 0 "[ . 1 . 2]" 1 11 GLN 4.843 0.524 16 1 "[ . 1 .+ 2]" 1 12 GLU 5.004 0.438 19 0 "[ . 1 . 2]" 1 13 ASN 0.996 0.294 15 0 "[ . 1 . 2]" 1 14 TYR 4.606 1.031 17 2 "[ - . 1 . + 2]" 1 15 GLU 16.592 0.725 16 7 "[ . * 1 * *+ **-]" 1 16 GLU 8.598 0.471 16 0 "[ . 1 . 2]" 1 17 PHE 12.891 0.610 18 3 "[ .* 1- . + 2]" 1 18 LEU 13.469 0.725 16 6 "[ . * 1 * *+ * -]" 1 19 LYS 8.098 0.471 16 0 "[ . 1 . 2]" 1 20 ALA 8.291 0.610 18 3 "[ .* 1- . + 2]" 1 21 LEU 10.237 0.660 10 1 "[ . + . 2]" 1 22 ALA 7.120 0.317 1 0 "[ . 1 . 2]" 1 23 LEU 8.975 0.660 10 1 "[ . + . 2]" 1 24 PRO 1.769 0.298 10 0 "[ . 1 . 2]" 1 25 GLU 0.937 0.408 15 0 "[ . 1 . 2]" 1 26 ASP 3.809 0.410 9 0 "[ . 1 . 2]" 1 27 LEU 1.282 0.206 3 0 "[ . 1 . 2]" 1 28 ILE 9.083 0.408 15 0 "[ . 1 . 2]" 1 29 LYS 10.783 0.476 10 0 "[ . 1 . 2]" 1 30 MET 4.460 0.327 4 0 "[ . 1 . 2]" 1 31 ALA 0.509 0.155 18 0 "[ . 1 . 2]" 1 32 ARG 17.453 1.031 17 4 "[ * . 1 . +*-2]" 1 33 ASP 5.244 0.367 20 0 "[ . 1 . 2]" 1 34 ILE 1.115 0.317 19 0 "[ . 1 . 2]" 1 35 LYS 8.577 0.367 20 0 "[ . 1 . 2]" 1 36 PRO 18.305 0.432 20 0 "[ . 1 . 2]" 1 37 ILE 2.717 0.334 16 0 "[ . 1 . 2]" 1 38 VAL 12.408 0.618 16 3 "[ *. 1 .+ -]" 1 39 GLU 0.640 0.233 4 0 "[ . 1 . 2]" 1 40 ILE 8.605 0.618 16 3 "[ *. 1 .+ -]" 1 41 GLN 5.443 0.390 3 0 "[ . 1 . 2]" 1 42 GLN 0.776 0.274 8 0 "[ . 1 . 2]" 1 43 LYS 0.000 0.000 . 0 "[ . 1 . 2]" 1 44 GLY 7.011 0.271 1 0 "[ . 1 . 2]" 1 45 ASP 4.051 0.225 6 0 "[ . 1 . 2]" 1 46 ASP 4.348 0.271 1 0 "[ . 1 . 2]" 1 47 PHE 9.384 0.550 1 1 "[+ . 1 . 2]" 1 48 VAL 5.239 0.390 3 0 "[ . 1 . 2]" 1 49 VAL 0.643 0.233 4 0 "[ . 1 . 2]" 1 50 THR 1.314 0.361 1 0 "[ . 1 . 2]" 1 51 SER 0.763 0.387 7 0 "[ . 1 . 2]" 1 52 LYS 4.409 0.387 7 0 "[ . 1 . 2]" 1 53 THR 7.033 0.351 1 0 "[ . 1 . 2]" 1 54 PRO 8.114 0.590 16 4 "[ . 1 **-+ 2]" 1 55 ARG 1.461 0.409 7 0 "[ . 1 . 2]" 1 56 GLN 10.411 0.590 16 4 "[ . 1 **-+ 2]" 1 57 THR 3.140 0.179 7 0 "[ . 1 . 2]" 1 58 VAL 3.899 0.408 3 0 "[ . 1 . 2]" 1 59 THR 4.901 0.288 7 0 "[ . 1 . 2]" 1 60 ASN 6.420 0.331 1 0 "[ . 1 . 2]" 1 61 SER 2.359 0.422 12 0 "[ . 1 . 2]" 1 62 PHE 6.952 0.331 1 0 "[ . 1 . 2]" 1 63 THR 0.000 0.000 . 0 "[ . 1 . 2]" 1 64 LEU 8.367 0.378 4 0 "[ . 1 . 2]" 1 65 GLY 7.108 0.428 11 0 "[ . 1 . 2]" 1 66 LYS 2.280 0.309 14 0 "[ . 1 . 2]" 1 67 GLU 12.070 0.367 3 0 "[ . 1 . 2]" 1 68 ALA 6.338 0.281 10 0 "[ . 1 . 2]" 1 69 ASP 9.942 0.367 3 0 "[ . 1 . 2]" 1 70 ILE 8.547 0.422 12 0 "[ . 1 . 2]" 1 71 THR 0.280 0.280 12 0 "[ . 1 . 2]" 1 72 THR 8.516 0.462 18 0 "[ . 1 . 2]" 1 73 MET 4.314 0.408 3 0 "[ . 1 . 2]" 1 74 ASP 8.193 0.461 14 0 "[ . 1 . 2]" 1 75 GLY 6.415 0.720 14 2 "[ - . 1 +. 2]" 1 76 LYS 12.074 0.720 14 2 "[ - . 1 +. 2]" 1 77 LYS 3.756 0.303 14 0 "[ . 1 . 2]" 1 78 LEU 18.356 0.483 2 0 "[ . 1 . 2]" 1 79 LYS 26.893 0.483 2 0 "[ . 1 . 2]" 1 80 CYS 1.876 0.252 14 0 "[ . 1 . 2]" 1 81 THR 13.610 0.474 6 0 "[ . 1 . 2]" 1 82 VAL 7.127 1.272 11 6 "[ .- 1+* .** *2]" 1 83 HIS 23.623 1.272 11 6 "[ .* 1+* .** *2]" 1 84 LEU 1.169 0.148 10 0 "[ . 1 . 2]" 1 85 ALA 7.847 0.882 6 6 "[ .+ 1** .*- *2]" 1 86 ASN 0.406 0.059 11 0 "[ . 1 . 2]" 1 87 GLY 0.166 0.060 7 0 "[ . 1 . 2]" 1 88 LYS 0.508 0.299 17 0 "[ . 1 . 2]" 1 89 LEU 11.614 0.550 1 1 "[+ . 1 . 2]" 1 90 VAL 9.683 0.675 6 5 "[ .+ 1- .** *2]" 1 91 THR 5.549 0.387 4 0 "[ . 1 . 2]" 1 92 LYS 18.385 0.408 9 0 "[ . 1 . 2]" 1 93 SER 23.799 1.020 18 20 [***********-*****+**] 1 94 GLU 7.149 0.408 9 0 "[ . 1 . 2]" 1 95 LYS 23.194 1.020 18 20 [***********-*****+**] 1 96 PHE 25.130 0.571 8 2 "[ -. + 1 . 2]" 1 97 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 98 HIS 12.840 0.571 8 2 "[ -. + 1 . 2]" 1 99 GLU 0.000 0.000 . 0 "[ . 1 . 2]" 1 100 GLN 0.297 0.250 13 0 "[ . 1 . 2]" 1 101 GLU 3.524 0.348 7 0 "[ . 1 . 2]" 1 102 VAL 2.537 0.285 12 0 "[ . 1 . 2]" 1 103 LYS 0.000 0.000 . 0 "[ . 1 . 2]" 1 104 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 105 ASN 0.634 0.140 4 0 "[ . 1 . 2]" 1 106 GLU 0.058 0.033 14 0 "[ . 1 . 2]" 1 107 MET 6.372 0.371 17 0 "[ . 1 . 2]" 1 108 VAL 0.744 0.348 7 0 "[ . 1 . 2]" 1 109 GLU 4.155 0.250 13 0 "[ . 1 . 2]" 1 110 THR 1.911 0.331 9 0 "[ . 1 . 2]" 1 111 ILE 0.126 0.079 9 0 "[ . 1 . 2]" 1 112 THR 0.000 0.000 . 0 "[ . 1 . 2]" 1 113 PHE 6.301 0.443 1 0 "[ . 1 . 2]" 1 114 GLY 0.915 0.114 5 0 "[ . 1 . 2]" 1 115 GLY 1.172 0.105 9 0 "[ . 1 . 2]" 1 116 VAL 1.892 0.121 5 0 "[ . 1 . 2]" 1 117 THR 3.357 0.268 2 0 "[ . 1 . 2]" 1 118 LEU 1.422 0.294 15 0 "[ . 1 . 2]" 1 119 ILE 1.573 0.362 16 0 "[ . 1 . 2]" 1 120 ARG 0.350 0.191 15 0 "[ . 1 . 2]" 1 121 ARG 14.566 1.569 17 4 "[ . 1 **+ -2]" 1 122 SER 4.721 0.356 13 0 "[ . 1 . 2]" 1 123 LYS 4.654 0.634 17 3 "[ . 1 - + *2]" 1 124 ARG 2.695 0.523 15 2 "[ . 1 + -2]" 1 125 VAL 1.318 0.277 17 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 50 THR MG 1 52 LYS QE 5.500 . 6.000 2.630 1.780 4.830 0.020 1 0 "[ . 1 . 2]" 1 2 1 17 PHE QE 1 113 PHE HB3 5.500 . 6.000 2.792 2.101 3.306 . 0 0 "[ . 1 . 2]" 1 3 1 1 ALA HA 1 2 PHE HA 5.500 . 6.000 4.481 4.408 4.742 . 0 0 "[ . 1 . 2]" 1 4 1 1 ALA HA 1 2 PHE H 5.500 . 6.000 2.559 2.211 3.593 . 0 0 "[ . 1 . 2]" 1 5 1 2 PHE HB2 1 3 SER HA 5.500 . 6.000 4.495 4.326 5.005 . 0 0 "[ . 1 . 2]" 1 6 1 3 SER HB2 1 42 GLN H 5.500 . 6.000 3.719 3.192 4.455 . 0 0 "[ . 1 . 2]" 1 7 1 4 GLY HA2 1 5 THR H 4.000 . 4.500 2.621 2.433 2.821 . 0 0 "[ . 1 . 2]" 1 8 1 4 GLY HA3 1 6 TRP HE1 5.500 . 6.000 3.883 3.428 4.124 . 0 0 "[ . 1 . 2]" 1 9 1 4 GLY HA2 1 6 TRP HE1 5.500 . 6.000 5.180 4.733 5.485 . 0 0 "[ . 1 . 2]" 1 10 1 5 THR MG 1 6 TRP HA 5.500 . 6.000 4.352 3.777 5.576 . 0 0 "[ . 1 . 2]" 1 11 1 5 THR HB 1 125 VAL HB 5.500 . 6.000 4.173 2.700 5.976 . 0 0 "[ . 1 . 2]" 1 12 1 6 TRP HA 1 7 GLN HA 5.500 . 6.000 4.493 4.476 4.505 . 0 0 "[ . 1 . 2]" 1 13 1 6 TRP HA 1 7 GLN HB3 5.500 . 6.000 4.669 4.444 5.659 . 0 0 "[ . 1 . 2]" 1 14 1 6 TRP HA 1 7 GLN HB2 5.500 . 6.000 4.353 4.112 4.458 . 0 0 "[ . 1 . 2]" 1 15 1 6 TRP HA 1 7 GLN H 4.000 . 4.500 2.254 2.215 2.292 . 0 0 "[ . 1 . 2]" 1 16 1 6 TRP HA 1 8 VAL H 5.500 . 6.000 5.992 5.830 6.291 0.291 15 0 "[ . 1 . 2]" 1 17 1 8 VAL MG1 1 9 TYR HA 5.500 . 6.000 3.892 3.664 5.545 . 0 0 "[ . 1 . 2]" 1 18 1 9 TYR QD 1 10 ALA HA 5.500 . 6.000 4.062 3.281 5.642 . 0 0 "[ . 1 . 2]" 1 19 1 9 TYR H 1 10 ALA HA 5.500 . 6.000 4.688 4.479 5.151 . 0 0 "[ . 1 . 2]" 1 20 1 9 TYR QE 1 10 ALA MB 5.500 . 6.000 2.934 1.911 6.031 0.031 17 0 "[ . 1 . 2]" 1 21 1 9 TYR HA 1 10 ALA H 5.500 . 6.000 3.488 3.299 3.592 . 0 0 "[ . 1 . 2]" 1 22 1 10 ALA HA 1 11 GLN HB2 5.500 . 6.000 5.081 4.301 5.705 . 0 0 "[ . 1 . 2]" 1 23 1 10 ALA HA 1 11 GLN H 5.500 . 6.000 2.273 2.211 2.497 . 0 0 "[ . 1 . 2]" 1 24 1 10 ALA MB 1 11 GLN H 5.500 . 6.000 3.058 2.590 3.365 . 0 0 "[ . 1 . 2]" 1 25 1 12 GLU HG2 1 119 ILE QG 5.500 . 6.000 5.837 3.670 6.029 0.029 13 0 "[ . 1 . 2]" 1 26 1 10 ALA MB 1 12 GLU H 5.500 . 6.000 5.015 4.177 5.893 . 0 0 "[ . 1 . 2]" 1 27 1 11 GLN HB2 1 12 GLU H 5.500 . 6.000 3.809 2.622 4.441 . 0 0 "[ . 1 . 2]" 1 28 1 109 GLU HA 1 110 THR HA 5.500 . 6.000 4.493 4.488 4.511 . 0 0 "[ . 1 . 2]" 1 29 1 12 GLU HA 1 13 ASN HA 5.500 . 6.000 4.550 4.514 4.579 . 0 0 "[ . 1 . 2]" 1 30 1 11 GLN HB2 1 14 TYR HB3 5.500 . 6.000 4.215 3.412 5.364 . 0 0 "[ . 1 . 2]" 1 31 1 11 GLN HB2 1 14 TYR HB2 5.500 . 6.000 2.723 1.788 3.943 0.012 19 0 "[ . 1 . 2]" 1 32 1 12 GLU HG2 1 14 TYR H 5.500 . 6.000 5.143 4.772 6.184 0.184 20 0 "[ . 1 . 2]" 1 33 1 15 GLU HB2 1 32 ARG QD 5.500 . 6.000 6.288 6.014 6.570 0.570 18 2 "[ . 1 . +-2]" 1 34 1 14 TYR H 1 15 GLU HA 5.500 . 6.000 5.545 5.387 5.900 . 0 0 "[ . 1 . 2]" 1 35 1 15 GLU HB3 1 19 LYS H 5.500 . 6.000 5.155 4.817 5.924 . 0 0 "[ . 1 . 2]" 1 36 1 14 TYR HB3 1 15 GLU H 5.500 . 6.000 2.244 1.872 2.484 . 0 0 "[ . 1 . 2]" 1 37 1 14 TYR HB2 1 15 GLU H 5.500 . 6.000 3.589 2.983 3.865 . 0 0 "[ . 1 . 2]" 1 38 1 14 TYR HA 1 17 PHE HB3 5.500 . 6.000 3.148 2.880 3.460 . 0 0 "[ . 1 . 2]" 1 39 1 15 GLU HA 1 17 PHE H 5.500 . 6.000 4.857 4.441 5.079 . 0 0 "[ . 1 . 2]" 1 40 1 14 TYR QD 1 18 LEU QD 5.500 . 6.000 3.195 2.595 4.759 . 0 0 "[ . 1 . 2]" 1 41 1 14 TYR QE 1 18 LEU QD . . 4.500 2.774 1.721 4.280 0.079 15 0 "[ . 1 . 2]" 1 42 1 15 GLU HA 1 18 LEU HB3 5.500 . 6.000 4.043 3.635 4.375 . 0 0 "[ . 1 . 2]" 1 43 1 15 GLU HA 1 18 LEU QD 5.500 . 6.000 3.252 2.218 4.457 . 0 0 "[ . 1 . 2]" 1 44 1 15 GLU HA 1 18 LEU HG 5.500 . 6.000 4.601 3.739 5.534 . 0 0 "[ . 1 . 2]" 1 45 1 15 GLU HB3 1 18 LEU HB2 5.500 . 6.000 5.054 4.478 5.521 . 0 0 "[ . 1 . 2]" 1 46 1 19 LYS HA 1 23 LEU H 5.500 . 6.000 4.264 4.046 4.630 . 0 0 "[ . 1 . 2]" 1 47 1 17 PHE H 1 19 LYS HD2 5.500 . 6.000 5.762 5.270 6.261 0.261 11 0 "[ . 1 . 2]" 1 48 1 19 LYS HA 1 28 ILE MD 4.000 . 4.500 2.969 2.605 3.279 . 0 0 "[ . 1 . 2]" 1 49 1 18 LEU HB2 1 19 LYS H 5.500 . 6.000 2.670 2.483 3.038 . 0 0 "[ . 1 . 2]" 1 50 1 18 LEU HB3 1 19 LYS H 5.500 . 6.000 3.147 2.885 3.407 . 0 0 "[ . 1 . 2]" 1 51 1 17 PHE HA 1 20 ALA MB 5.500 . 6.000 3.037 2.783 3.361 . 0 0 "[ . 1 . 2]" 1 52 1 20 ALA MB 1 113 PHE HD1 . . 3.300 2.133 1.949 2.362 . 0 0 "[ . 1 . 2]" 1 53 1 19 LYS HA 1 20 ALA HA 5.500 . 6.000 4.813 4.783 4.831 . 0 0 "[ . 1 . 2]" 1 54 1 19 LYS HB3 1 20 ALA HA 5.500 . 6.000 4.292 4.054 4.460 . 0 0 "[ . 1 . 2]" 1 55 1 19 LYS H 1 20 ALA MB 5.500 . 6.000 4.391 4.236 4.536 . 0 0 "[ . 1 . 2]" 1 56 1 19 LYS HA 1 20 ALA H 5.500 . 6.000 3.563 3.542 3.578 . 0 0 "[ . 1 . 2]" 1 57 1 19 LYS HB2 1 20 ALA H 5.500 . 6.000 3.054 2.535 3.949 . 0 0 "[ . 1 . 2]" 1 58 1 17 PHE QE 1 21 LEU QD 5.500 . 6.000 2.708 2.238 3.312 . 0 0 "[ . 1 . 2]" 1 59 1 17 PHE QD 1 21 LEU QD 5.500 . 6.000 3.507 3.169 3.898 . 0 0 "[ . 1 . 2]" 1 60 1 18 LEU HA 1 21 LEU HB3 5.500 . 6.000 3.608 3.251 4.013 . 0 0 "[ . 1 . 2]" 1 61 1 18 LEU HA 1 21 LEU HB2 5.500 . 6.000 2.415 2.226 2.579 . 0 0 "[ . 1 . 2]" 1 62 1 18 LEU HA 1 21 LEU QD 5.500 . 6.000 2.858 2.517 3.126 . 0 0 "[ . 1 . 2]" 1 63 1 19 LYS HB2 1 21 LEU H 5.500 . 6.000 5.185 4.838 5.910 . 0 0 "[ . 1 . 2]" 1 64 1 20 ALA HA 1 21 LEU H 5.500 . 6.000 3.534 3.505 3.572 . 0 0 "[ . 1 . 2]" 1 65 1 21 LEU HB3 1 22 ALA H 5.500 . 6.000 3.194 3.054 3.370 . 0 0 "[ . 1 . 2]" 1 66 1 21 LEU HB2 1 22 ALA H 5.500 . 6.000 3.545 3.387 3.714 . 0 0 "[ . 1 . 2]" 1 67 1 18 LEU HA 1 23 LEU MD1 5.500 . 6.000 3.411 2.818 4.427 . 0 0 "[ . 1 . 2]" 1 68 1 18 LEU QD 1 23 LEU MD1 5.500 . 6.000 1.869 1.574 2.682 0.226 8 0 "[ . 1 . 2]" 1 69 1 18 LEU H 1 23 LEU MD1 5.500 . 6.000 5.519 5.128 6.468 0.468 7 0 "[ . 1 . 2]" 1 70 1 19 LYS HA 1 23 LEU HB2 5.500 . 6.000 4.708 4.133 5.338 . 0 0 "[ . 1 . 2]" 1 71 1 20 ALA HA 1 113 PHE HD1 5.500 . 6.000 4.399 3.996 4.689 . 0 0 "[ . 1 . 2]" 1 72 1 21 LEU HB3 1 23 LEU MD1 4.000 . 4.500 2.725 2.015 3.705 . 0 0 "[ . 1 . 2]" 1 73 1 21 LEU HB2 1 23 LEU MD1 5.500 . 6.000 3.350 2.582 4.459 . 0 0 "[ . 1 . 2]" 1 74 1 21 LEU QD 1 23 LEU MD2 5.500 . 6.000 2.987 2.507 3.514 . 0 0 "[ . 1 . 2]" 1 75 1 21 LEU HG 1 23 LEU MD2 5.500 . 6.000 4.541 3.996 5.600 . 0 0 "[ . 1 . 2]" 1 76 1 21 LEU HB3 1 23 LEU HG 5.500 . 6.000 2.152 1.895 2.739 . 0 0 "[ . 1 . 2]" 1 77 1 21 LEU HB2 1 23 LEU HG 5.500 . 6.000 3.756 3.396 4.385 . 0 0 "[ . 1 . 2]" 1 78 1 21 LEU QD 1 23 LEU HG 5.500 . 6.000 2.504 2.220 3.083 . 0 0 "[ . 1 . 2]" 1 79 1 21 LEU HB3 1 23 LEU H 5.500 . 6.000 2.822 2.544 3.352 . 0 0 "[ . 1 . 2]" 1 80 1 21 LEU HB2 1 23 LEU H 5.500 . 6.000 3.990 3.710 4.194 . 0 0 "[ . 1 . 2]" 1 81 1 22 ALA MB 1 23 LEU H 5.500 . 6.000 3.568 3.465 3.692 . 0 0 "[ . 1 . 2]" 1 82 1 23 LEU HB3 1 24 PRO QG 5.500 . 6.000 3.630 3.534 3.734 . 0 0 "[ . 1 . 2]" 1 83 1 23 LEU HA 1 24 PRO HD3 2.800 . 3.300 2.288 2.258 2.328 . 0 0 "[ . 1 . 2]" 1 84 1 23 LEU HB3 1 24 PRO HD3 4.000 . 4.500 3.316 3.158 3.484 . 0 0 "[ . 1 . 2]" 1 85 1 23 LEU MD2 1 24 PRO HD3 5.500 . 6.000 2.397 1.772 2.762 0.028 10 0 "[ . 1 . 2]" 1 86 1 24 PRO HD3 1 27 LEU QB 5.500 . 6.000 3.893 3.763 4.083 . 0 0 "[ . 1 . 2]" 1 87 1 23 LEU HA 1 24 PRO HD2 4.000 . 4.500 2.627 2.572 2.695 . 0 0 "[ . 1 . 2]" 1 88 1 23 LEU HB2 1 24 PRO HD2 4.000 . 4.500 3.570 3.421 3.685 . 0 0 "[ . 1 . 2]" 1 89 1 23 LEU MD2 1 24 PRO HD2 5.500 . 6.000 1.874 1.502 2.363 0.298 10 0 "[ . 1 . 2]" 1 90 1 24 PRO HD2 1 27 LEU MD2 5.500 . 6.000 2.206 1.908 2.741 . 0 0 "[ . 1 . 2]" 1 91 1 24 PRO HD3 1 27 LEU MD2 5.500 . 6.000 3.401 3.155 3.766 . 0 0 "[ . 1 . 2]" 1 92 1 24 PRO HD2 1 27 LEU QB 5.500 . 6.000 2.615 2.448 2.858 . 0 0 "[ . 1 . 2]" 1 93 1 24 PRO QG 1 27 LEU MD2 5.500 . 6.000 2.472 2.324 2.738 . 0 0 "[ . 1 . 2]" 1 94 1 24 PRO QG 1 27 LEU HB3 5.500 . 6.000 1.805 1.594 1.956 0.206 3 0 "[ . 1 . 2]" 1 95 1 24 PRO QG 1 27 LEU HB2 5.500 . 6.000 2.084 1.876 2.404 . 0 0 "[ . 1 . 2]" 1 96 1 24 PRO HG2 1 25 GLU H 5.500 . 6.000 4.911 4.856 4.974 . 0 0 "[ . 1 . 2]" 1 97 1 24 PRO HB2 1 26 ASP H 5.500 . 6.000 2.953 2.587 3.183 . 0 0 "[ . 1 . 2]" 1 98 1 25 GLU HA 1 26 ASP HA 5.500 . 6.000 4.905 4.847 4.953 . 0 0 "[ . 1 . 2]" 1 99 1 23 LEU HB3 1 27 LEU HB2 5.500 . 6.000 4.865 4.441 5.162 . 0 0 "[ . 1 . 2]" 1 100 1 23 LEU HB3 1 27 LEU MD2 4.000 . 4.500 2.792 2.091 3.484 . 0 0 "[ . 1 . 2]" 1 101 1 23 LEU MD1 1 27 LEU HG 5.500 . 6.000 3.691 2.727 4.124 . 0 0 "[ . 1 . 2]" 1 102 1 24 PRO HD3 1 27 LEU HB3 5.500 . 6.000 4.116 3.963 4.270 . 0 0 "[ . 1 . 2]" 1 103 1 24 PRO HG2 1 27 LEU MD1 5.500 . 6.000 3.918 3.668 4.125 . 0 0 "[ . 1 . 2]" 1 104 1 24 PRO HB3 1 27 LEU H 5.500 . 6.000 4.449 4.318 4.532 . 0 0 "[ . 1 . 2]" 1 105 1 24 PRO HB2 1 27 LEU H 5.500 . 6.000 2.801 2.711 2.910 . 0 0 "[ . 1 . 2]" 1 106 1 24 PRO HG2 1 27 LEU H 5.500 . 6.000 2.714 2.386 2.849 . 0 0 "[ . 1 . 2]" 1 107 1 26 ASP HB2 1 27 LEU HA 5.500 . 6.000 5.092 4.568 5.710 . 0 0 "[ . 1 . 2]" 1 108 1 15 GLU HB3 1 28 ILE MG 5.500 . 6.000 4.482 3.764 5.673 . 0 0 "[ . 1 . 2]" 1 109 1 18 LEU QD 1 28 ILE HA 5.500 . 6.000 3.354 1.725 4.870 0.075 13 0 "[ . 1 . 2]" 1 110 1 18 LEU HB2 1 28 ILE MD 5.500 . 6.000 4.610 3.750 5.297 . 0 0 "[ . 1 . 2]" 1 111 1 18 LEU HB3 1 28 ILE MG 5.500 . 6.000 3.328 2.162 4.637 . 0 0 "[ . 1 . 2]" 1 112 1 18 LEU QD 1 28 ILE MG 5.500 . 6.000 3.084 1.745 4.705 0.055 15 0 "[ . 1 . 2]" 1 113 1 23 LEU HB3 1 28 ILE MD 5.500 . 6.000 3.374 2.687 4.159 . 0 0 "[ . 1 . 2]" 1 114 1 23 LEU HB2 1 28 ILE MD 5.500 . 6.000 2.715 2.246 3.432 . 0 0 "[ . 1 . 2]" 1 115 1 23 LEU HB3 1 28 ILE H 5.500 . 6.000 4.472 3.458 4.890 . 0 0 "[ . 1 . 2]" 1 116 1 25 GLU HA 1 28 ILE MD 5.500 . 6.000 2.184 1.754 2.583 0.046 8 0 "[ . 1 . 2]" 1 117 1 25 GLU HA 1 28 ILE MG 5.500 . 6.000 3.681 3.421 3.806 . 0 0 "[ . 1 . 2]" 1 118 1 25 GLU HG2 1 28 ILE MG 5.500 . 6.000 5.192 4.563 6.408 0.408 15 0 "[ . 1 . 2]" 1 119 1 27 LEU HA 1 28 ILE H 4.000 . 4.500 3.515 3.467 3.580 . 0 0 "[ . 1 . 2]" 1 120 1 27 LEU HB2 1 28 ILE H 5.500 . 6.000 4.046 3.796 4.156 . 0 0 "[ . 1 . 2]" 1 121 1 28 ILE MD 1 29 LYS H 5.500 . 6.000 4.350 4.041 4.524 . 0 0 "[ . 1 . 2]" 1 122 1 28 ILE MG 1 29 LYS H 5.500 . 6.000 3.222 3.005 3.384 . 0 0 "[ . 1 . 2]" 1 123 1 27 LEU HA 1 30 MET HB3 5.500 . 6.000 3.407 2.548 4.082 . 0 0 "[ . 1 . 2]" 1 124 1 27 LEU MD1 1 30 MET HB3 5.500 . 6.000 3.729 2.743 4.469 . 0 0 "[ . 1 . 2]" 1 125 1 27 LEU HG 1 30 MET HB3 5.500 . 6.000 5.432 4.497 6.011 0.011 6 0 "[ . 1 . 2]" 1 126 1 27 LEU HA 1 30 MET HB2 5.500 . 6.000 3.155 2.390 4.194 . 0 0 "[ . 1 . 2]" 1 127 1 27 LEU HA 1 30 MET ME 5.500 . 6.000 4.390 2.601 5.312 . 0 0 "[ . 1 . 2]" 1 128 1 27 LEU HA 1 30 MET H 5.500 . 6.000 3.550 3.420 3.768 . 0 0 "[ . 1 . 2]" 1 129 1 27 LEU MD1 1 30 MET H 5.500 . 6.000 4.613 4.055 4.989 . 0 0 "[ . 1 . 2]" 1 130 1 29 LYS HB2 1 30 MET HA 5.500 . 6.000 4.472 4.390 4.709 . 0 0 "[ . 1 . 2]" 1 131 1 29 LYS HA 1 30 MET H 5.500 . 6.000 3.510 3.474 3.539 . 0 0 "[ . 1 . 2]" 1 132 1 18 LEU QD 1 31 ALA MB 5.500 . 6.000 3.407 2.294 4.337 . 0 0 "[ . 1 . 2]" 1 133 1 28 ILE HA 1 31 ALA MB 5.500 . 6.000 2.932 2.569 3.304 . 0 0 "[ . 1 . 2]" 1 134 1 30 MET HA 1 31 ALA MB 5.500 . 6.000 4.872 4.800 4.915 . 0 0 "[ . 1 . 2]" 1 135 1 30 MET H 1 31 ALA MB 5.500 . 6.000 3.943 3.746 4.107 . 0 0 "[ . 1 . 2]" 1 136 1 30 MET HA 1 31 ALA H 5.500 . 6.000 3.499 3.404 3.542 . 0 0 "[ . 1 . 2]" 1 137 1 30 MET HB3 1 31 ALA H 5.500 . 6.000 3.311 2.691 4.040 . 0 0 "[ . 1 . 2]" 1 138 1 30 MET HB2 1 31 ALA H 5.500 . 6.000 3.442 2.798 4.087 . 0 0 "[ . 1 . 2]" 1 139 1 29 LYS HA 1 32 ARG HB2 5.500 . 6.000 4.039 3.782 4.395 . 0 0 "[ . 1 . 2]" 1 140 1 29 LYS HA 1 32 ARG HD3 5.500 . 6.000 3.105 1.962 4.682 . 0 0 "[ . 1 . 2]" 1 141 1 30 MET HA 1 32 ARG HG3 5.500 . 6.000 5.316 4.295 6.313 0.313 18 0 "[ . 1 . 2]" 1 142 1 30 MET HA 1 32 ARG H 5.500 . 6.000 3.972 3.804 4.170 . 0 0 "[ . 1 . 2]" 1 143 1 31 ALA HA 1 32 ARG HA 5.500 . 6.000 4.853 4.783 4.889 . 0 0 "[ . 1 . 2]" 1 144 1 31 ALA HA 1 32 ARG H 5.500 . 6.000 3.298 3.215 3.409 . 0 0 "[ . 1 . 2]" 1 145 1 32 ARG HB2 1 33 ASP H 5.500 . 6.000 4.348 4.189 4.487 . 0 0 "[ . 1 . 2]" 1 146 1 32 ARG HG2 1 33 ASP H 5.500 . 6.000 3.446 2.792 4.075 . 0 0 "[ . 1 . 2]" 1 147 1 30 MET HB3 1 34 ILE MD 5.500 . 6.000 3.929 3.126 4.599 . 0 0 "[ . 1 . 2]" 1 148 1 33 ASP HA 1 34 ILE H 5.500 . 6.000 2.790 2.655 2.872 . 0 0 "[ . 1 . 2]" 1 149 1 9 TYR HA 1 35 LYS HB3 5.500 . 6.000 4.798 3.935 6.261 0.261 15 0 "[ . 1 . 2]" 1 150 1 33 ASP HA 1 35 LYS HA 5.500 . 6.000 6.262 6.196 6.367 0.367 20 0 "[ . 1 . 2]" 1 151 1 8 VAL MG2 1 36 PRO HD2 2.800 . 3.300 3.111 2.017 3.732 0.432 20 0 "[ . 1 . 2]" 1 152 1 34 ILE MG 1 36 PRO HD2 4.000 . 4.500 3.549 3.259 3.867 . 0 0 "[ . 1 . 2]" 1 153 1 8 VAL MG2 1 36 PRO QG 4.000 . 4.500 3.022 2.690 3.636 . 0 0 "[ . 1 . 2]" 1 154 1 8 VAL HB 1 36 PRO QG 5.500 . 6.000 4.267 3.645 5.209 . 0 0 "[ . 1 . 2]" 1 155 1 35 LYS HA 1 36 PRO HD3 5.500 . 6.000 2.692 2.619 2.767 . 0 0 "[ . 1 . 2]" 1 156 1 35 LYS HA 1 36 PRO HD2 4.000 . 4.500 2.070 2.038 2.109 . 0 0 "[ . 1 . 2]" 1 157 1 35 LYS HA 1 36 PRO QG 5.500 . 6.000 3.915 3.883 3.951 . 0 0 "[ . 1 . 2]" 1 158 1 7 GLN HA 1 37 ILE HG12 5.500 . 6.000 3.321 3.066 3.756 . 0 0 "[ . 1 . 2]" 1 159 1 7 GLN HB2 1 37 ILE HG12 5.500 . 6.000 3.675 3.120 5.313 . 0 0 "[ . 1 . 2]" 1 160 1 8 VAL H 1 37 ILE HG12 5.500 . 6.000 4.727 4.084 5.365 . 0 0 "[ . 1 . 2]" 1 161 1 27 LEU MD2 1 74 ASP HA 4.000 . 4.500 2.625 2.264 3.074 . 0 0 "[ . 1 . 2]" 1 162 1 36 PRO HA 1 53 THR HA 4.000 . 4.500 2.706 2.371 2.937 . 0 0 "[ . 1 . 2]" 1 163 1 34 ILE MG 1 36 PRO HA 5.500 . 6.000 3.500 3.381 3.744 . 0 0 "[ . 1 . 2]" 1 164 1 36 PRO HA 1 37 ILE HG13 4.000 . 4.500 3.589 3.475 3.667 . 0 0 "[ . 1 . 2]" 1 165 1 36 PRO HD2 1 37 ILE HG13 5.500 . 6.000 6.129 5.860 6.334 0.334 16 0 "[ . 1 . 2]" 1 166 1 36 PRO QG 1 37 ILE HG13 5.500 . 6.000 5.805 5.662 5.892 . 0 0 "[ . 1 . 2]" 1 167 1 36 PRO HA 1 37 ILE H 4.000 . 4.500 2.258 2.226 2.348 . 0 0 "[ . 1 . 2]" 1 168 1 36 PRO HB2 1 37 ILE H 5.500 . 6.000 3.358 3.004 3.545 . 0 0 "[ . 1 . 2]" 1 169 1 6 TRP HB3 1 38 VAL HB 5.500 . 6.000 4.182 3.850 6.054 0.054 4 0 "[ . 1 . 2]" 1 170 1 6 TRP HB2 1 38 VAL HB 5.500 . 6.000 2.840 2.538 4.515 . 0 0 "[ . 1 . 2]" 1 171 1 6 TRP HD1 1 38 VAL MG1 5.500 . 6.000 3.484 2.318 4.237 . 0 0 "[ . 1 . 2]" 1 172 1 7 GLN HA 1 38 VAL H 4.000 . 4.500 3.632 3.223 4.253 . 0 0 "[ . 1 . 2]" 1 173 1 36 PRO QG 1 38 VAL HB 5.500 . 6.000 6.335 5.653 6.426 0.426 8 0 "[ . 1 . 2]" 1 174 1 37 ILE HG13 1 38 VAL H 5.500 . 6.000 4.715 4.574 4.811 . 0 0 "[ . 1 . 2]" 1 175 1 5 THR HA 1 39 GLU HA 5.500 . 6.000 2.282 2.164 2.384 . 0 0 "[ . 1 . 2]" 1 176 1 5 THR MG 1 39 GLU HA 5.500 . 6.000 3.261 2.909 3.458 . 0 0 "[ . 1 . 2]" 1 177 1 2 PHE HB3 1 40 ILE MD 5.500 . 6.000 2.995 2.417 4.487 . 0 0 "[ . 1 . 2]" 1 178 1 2 PHE HB2 1 40 ILE MD 5.500 . 6.000 4.391 3.865 5.701 . 0 0 "[ . 1 . 2]" 1 179 1 2 PHE HB3 1 40 ILE MG 5.500 . 6.000 2.281 2.145 2.568 . 0 0 "[ . 1 . 2]" 1 180 1 2 PHE HB2 1 40 ILE MG 5.500 . 6.000 3.281 3.003 4.045 . 0 0 "[ . 1 . 2]" 1 181 1 3 SER HA 1 40 ILE MG 5.500 . 6.000 2.425 2.163 3.022 . 0 0 "[ . 1 . 2]" 1 182 1 4 GLY HA3 1 40 ILE H 5.500 . 6.000 4.847 4.780 4.969 . 0 0 "[ . 1 . 2]" 1 183 1 4 GLY HA2 1 40 ILE H 5.500 . 6.000 4.515 4.298 4.709 . 0 0 "[ . 1 . 2]" 1 184 1 6 TRP HE1 1 40 ILE MD 5.500 . 6.000 2.455 1.855 5.192 . 0 0 "[ . 1 . 2]" 1 185 1 38 VAL HB 1 40 ILE H 5.500 . 6.000 6.241 5.998 6.618 0.618 16 3 "[ *. 1 .+ -]" 1 186 1 39 GLU HA 1 40 ILE HA 4.000 . 4.500 4.498 4.487 4.532 0.032 16 0 "[ . 1 . 2]" 1 187 1 39 GLU HA 1 40 ILE MD 5.500 . 6.000 4.669 4.141 4.894 . 0 0 "[ . 1 . 2]" 1 188 1 40 ILE MG 1 41 GLN HA 5.500 . 6.000 3.743 3.677 3.800 . 0 0 "[ . 1 . 2]" 1 189 1 41 GLN HB3 1 48 VAL MG1 5.500 . 6.000 3.091 2.834 3.853 . 0 0 "[ . 1 . 2]" 1 190 1 40 ILE HA 1 41 GLN HB2 5.500 . 6.000 4.426 4.071 4.537 . 0 0 "[ . 1 . 2]" 1 191 1 41 GLN HB2 1 48 VAL MG1 5.500 . 6.000 3.974 2.944 4.336 . 0 0 "[ . 1 . 2]" 1 192 1 41 GLN QG 1 48 VAL MG2 5.500 . 6.000 3.872 3.533 4.853 . 0 0 "[ . 1 . 2]" 1 193 1 40 ILE MG 1 41 GLN H 5.500 . 6.000 2.709 2.453 2.892 . 0 0 "[ . 1 . 2]" 1 194 1 40 ILE HA 1 42 GLN HA 6.000 . 6.500 6.214 6.129 6.268 . 0 0 "[ . 1 . 2]" 1 195 1 41 GLN H 1 42 GLN HA 5.500 . 6.000 4.422 4.350 4.544 . 0 0 "[ . 1 . 2]" 1 196 1 41 GLN HA 1 42 GLN HB2 5.500 . 6.000 5.324 4.875 5.943 . 0 0 "[ . 1 . 2]" 1 197 1 41 GLN HA 1 42 GLN H 4.000 . 4.500 2.525 2.436 2.617 . 0 0 "[ . 1 . 2]" 1 198 1 41 GLN HB3 1 42 GLN H 5.500 . 6.000 4.433 4.319 4.479 . 0 0 "[ . 1 . 2]" 1 199 1 41 GLN HB2 1 42 GLN H 5.500 . 6.000 4.671 4.551 4.685 . 0 0 "[ . 1 . 2]" 1 200 1 41 GLN HG2 1 42 GLN H 5.500 . 6.000 4.425 4.171 5.612 . 0 0 "[ . 1 . 2]" 1 201 1 3 SER HA 1 41 GLN HA 5.500 . 6.000 3.269 2.717 3.455 . 0 0 "[ . 1 . 2]" 1 202 1 42 GLN HG3 1 44 GLY H 5.500 . 6.000 3.863 3.273 4.606 . 0 0 "[ . 1 . 2]" 1 203 1 43 LYS HA 1 44 GLY HA3 5.500 . 6.000 4.514 4.490 4.548 . 0 0 "[ . 1 . 2]" 1 204 1 43 LYS HA 1 44 GLY HA2 5.500 . 6.000 4.597 4.565 4.625 . 0 0 "[ . 1 . 2]" 1 205 1 43 LYS HA 1 44 GLY H 5.500 . 6.000 2.827 2.756 2.946 . 0 0 "[ . 1 . 2]" 1 206 1 43 LYS HB2 1 45 ASP H 5.500 . 6.000 5.417 5.242 5.873 . 0 0 "[ . 1 . 2]" 1 207 1 43 LYS HA 1 46 ASP H 5.500 . 6.000 5.584 5.472 5.709 . 0 0 "[ . 1 . 2]" 1 208 1 45 ASP HA 1 46 ASP H 5.500 . 6.000 3.349 3.293 3.398 . 0 0 "[ . 1 . 2]" 1 209 1 45 ASP QB 1 46 ASP H 5.500 . 6.000 3.339 3.160 3.860 . 0 0 "[ . 1 . 2]" 1 210 1 40 ILE MG 1 47 PHE QD 5.500 . 6.000 3.081 2.834 3.424 . 0 0 "[ . 1 . 2]" 1 211 1 42 GLN HA 1 47 PHE HA 4.000 . 4.500 2.313 2.072 2.462 . 0 0 "[ . 1 . 2]" 1 212 1 43 LYS H 1 47 PHE HA 5.500 . 6.000 3.996 3.819 4.158 . 0 0 "[ . 1 . 2]" 1 213 1 45 ASP HA 1 64 LEU HG 5.500 . 6.000 4.971 4.569 5.627 . 0 0 "[ . 1 . 2]" 1 214 1 45 ASP QB 1 64 LEU HG 5.500 . 6.000 5.311 4.996 5.607 . 0 0 "[ . 1 . 2]" 1 215 1 45 ASP QB 1 64 LEU HB2 5.500 . 6.000 3.246 2.758 4.302 . 0 0 "[ . 1 . 2]" 1 216 1 45 ASP QB 1 64 LEU HB3 4.000 . 4.500 4.257 2.883 4.725 0.225 6 0 "[ . 1 . 2]" 1 217 1 45 ASP HA 1 47 PHE QD 5.500 . 6.000 4.502 4.199 5.601 . 0 0 "[ . 1 . 2]" 1 218 1 45 ASP HA 1 47 PHE QE 5.500 . 6.000 4.076 2.741 5.625 . 0 0 "[ . 1 . 2]" 1 219 1 46 ASP HA 1 47 PHE HA 4.000 . 4.500 4.516 4.491 4.542 0.042 6 0 "[ . 1 . 2]" 1 220 1 46 ASP HA 1 47 PHE QB 5.500 . 6.000 3.965 3.862 4.273 . 0 0 "[ . 1 . 2]" 1 221 1 46 ASP HA 1 48 VAL MG2 5.500 . 6.000 5.189 5.041 5.466 . 0 0 "[ . 1 . 2]" 1 222 1 47 PHE HA 1 48 VAL HB 5.500 . 6.000 4.517 4.462 4.547 . 0 0 "[ . 1 . 2]" 1 223 1 47 PHE QB 1 48 VAL H . . 3.300 3.252 2.919 3.398 0.098 17 0 "[ . 1 . 2]" 1 224 1 47 PHE QB 1 49 VAL HA 5.500 . 6.000 5.618 5.368 5.923 . 0 0 "[ . 1 . 2]" 1 225 1 47 PHE QB 1 49 VAL QG 5.500 . 6.000 3.106 2.899 4.308 . 0 0 "[ . 1 . 2]" 1 226 1 48 VAL H 1 49 VAL QG 5.500 . 6.000 3.704 3.510 5.076 . 0 0 "[ . 1 . 2]" 1 227 1 39 GLU HB3 1 50 THR HB 5.500 . 6.000 2.432 2.192 2.549 . 0 0 "[ . 1 . 2]" 1 228 1 48 VAL MG1 1 50 THR HA 5.500 . 6.000 4.931 4.750 5.028 . 0 0 "[ . 1 . 2]" 1 229 1 49 VAL HA 1 50 THR HA 4.000 . 4.500 4.497 4.491 4.507 0.007 6 0 "[ . 1 . 2]" 1 230 1 49 VAL HA 1 50 THR HB 5.500 . 6.000 4.507 4.447 4.589 . 0 0 "[ . 1 . 2]" 1 231 1 51 SER HA 1 73 MET ME 5.500 . 6.000 4.908 4.345 5.354 . 0 0 "[ . 1 . 2]" 1 232 1 49 VAL QG 1 51 SER HA 5.500 . 6.000 4.404 4.192 5.508 . 0 0 "[ . 1 . 2]" 1 233 1 51 SER HB2 1 73 MET ME 4.000 . 4.500 3.644 3.117 4.135 . 0 0 "[ . 1 . 2]" 1 234 1 50 THR HA 1 51 SER HB2 5.500 . 6.000 4.527 4.284 4.627 . 0 0 "[ . 1 . 2]" 1 235 1 50 THR MG 1 52 LYS HB3 5.500 . 6.000 4.831 3.378 5.120 . 0 0 "[ . 1 . 2]" 1 236 1 50 THR MG 1 52 LYS HB2 5.500 . 6.000 4.664 4.489 4.906 . 0 0 "[ . 1 . 2]" 1 237 1 50 THR MG 1 52 LYS HE3 5.500 . 6.000 3.287 1.823 6.058 0.058 7 0 "[ . 1 . 2]" 1 238 1 50 THR MG 1 52 LYS HG3 5.500 . 6.000 2.823 2.376 5.680 . 0 0 "[ . 1 . 2]" 1 239 1 50 THR MG 1 52 LYS HG2 4.000 . 4.500 3.286 3.017 4.444 . 0 0 "[ . 1 . 2]" 1 240 1 51 SER HA 1 52 LYS HB3 5.500 . 6.000 5.528 4.441 5.677 . 0 0 "[ . 1 . 2]" 1 241 1 51 SER HB3 1 52 LYS HB2 5.500 . 6.000 5.792 5.647 6.387 0.387 7 0 "[ . 1 . 2]" 1 242 1 51 SER HB2 1 58 VAL HB 5.500 . 6.000 3.244 2.995 4.339 . 0 0 "[ . 1 . 2]" 1 243 1 51 SER HB3 1 52 LYS H 5.500 . 6.000 3.303 3.195 3.461 . 0 0 "[ . 1 . 2]" 1 244 1 51 SER HB2 1 52 LYS H 5.500 . 6.000 4.225 4.147 4.376 . 0 0 "[ . 1 . 2]" 1 245 1 34 ILE MG 1 53 THR MG 2.800 . 3.300 2.065 1.833 2.876 . 0 0 "[ . 1 . 2]" 1 246 1 34 ILE MG 1 53 THR H 5.500 . 6.000 5.696 5.267 6.170 0.170 20 0 "[ . 1 . 2]" 1 247 1 36 PRO HA 1 53 THR MG 5.500 . 6.000 2.834 2.354 3.448 . 0 0 "[ . 1 . 2]" 1 248 1 36 PRO HB3 1 53 THR MG 5.500 . 6.000 1.654 1.505 1.821 0.295 8 0 "[ . 1 . 2]" 1 249 1 36 PRO HB2 1 53 THR MG 4.000 . 4.500 2.918 2.697 3.115 . 0 0 "[ . 1 . 2]" 1 250 1 36 PRO QG 1 53 THR MG 5.500 . 6.000 3.034 2.768 3.251 . 0 0 "[ . 1 . 2]" 1 251 1 53 THR HA 1 54 PRO HD2 4.000 . 4.500 2.663 2.639 2.686 . 0 0 "[ . 1 . 2]" 1 252 1 53 THR HB 1 54 PRO HD3 4.000 . 4.500 3.565 3.027 3.730 . 0 0 "[ . 1 . 2]" 1 253 1 52 LYS HA 1 53 THR HA 5.500 . 6.000 4.495 4.486 4.522 . 0 0 "[ . 1 . 2]" 1 254 1 52 LYS HA 1 53 THR HB 5.500 . 6.000 5.434 5.322 5.684 . 0 0 "[ . 1 . 2]" 1 255 1 34 ILE MD 1 54 PRO HD3 5.500 . 6.000 4.338 3.406 5.369 . 0 0 "[ . 1 . 2]" 1 256 1 34 ILE MG 1 54 PRO HD3 5.500 . 6.000 2.735 1.973 3.539 . 0 0 "[ . 1 . 2]" 1 257 1 52 LYS HA 1 57 THR HB 5.500 . 6.000 3.193 3.024 3.436 . 0 0 "[ . 1 . 2]" 1 258 1 52 LYS HG2 1 57 THR HB 5.500 . 6.000 2.880 2.249 5.855 . 0 0 "[ . 1 . 2]" 1 259 1 52 LYS HA 1 73 MET ME 5.500 . 6.000 5.339 4.506 6.036 0.036 3 0 "[ . 1 . 2]" 1 260 1 53 THR MG 1 54 PRO HD3 5.500 . 6.000 2.662 2.358 3.829 . 0 0 "[ . 1 . 2]" 1 261 1 53 THR HB 1 54 PRO HG3 5.500 . 6.000 4.866 4.420 5.040 . 0 0 "[ . 1 . 2]" 1 262 1 53 THR HB 1 54 PRO HG2 5.500 . 6.000 3.980 3.753 4.127 . 0 0 "[ . 1 . 2]" 1 263 1 53 THR HA 1 54 PRO HG2 5.500 . 6.000 4.704 4.684 4.723 . 0 0 "[ . 1 . 2]" 1 264 1 36 PRO HB3 1 52 LYS HA 5.500 . 6.000 5.929 5.517 6.085 0.085 20 0 "[ . 1 . 2]" 1 265 1 54 PRO HA 1 55 ARG H 5.500 . 6.000 3.472 3.379 3.549 . 0 0 "[ . 1 . 2]" 1 266 1 54 PRO HB3 1 55 ARG H 5.500 . 6.000 4.304 4.128 4.450 . 0 0 "[ . 1 . 2]" 1 267 1 54 PRO HB2 1 55 ARG H 5.500 . 6.000 3.603 3.297 3.856 . 0 0 "[ . 1 . 2]" 1 268 1 53 THR HA 1 54 PRO HG3 5.500 . 6.000 4.538 4.522 4.553 . 0 0 "[ . 1 . 2]" 1 269 1 53 THR HA 1 56 GLN HG2 5.500 . 6.000 5.797 5.103 6.274 0.274 3 0 "[ . 1 . 2]" 1 270 1 54 PRO HA 1 56 GLN HA 5.500 . 6.000 6.406 6.267 6.590 0.590 16 4 "[ . 1 **-+ 2]" 1 271 1 54 PRO QB 1 56 GLN H 5.500 . 6.000 5.043 4.874 5.217 . 0 0 "[ . 1 . 2]" 1 272 1 55 ARG H 1 56 GLN HA 5.500 . 6.000 4.841 4.653 4.996 . 0 0 "[ . 1 . 2]" 1 273 1 55 ARG HA 1 56 GLN H 4.000 . 4.500 3.483 3.465 3.501 . 0 0 "[ . 1 . 2]" 1 274 1 55 ARG HD2 1 56 GLN H 5.500 . 6.000 5.717 4.298 6.409 0.409 7 0 "[ . 1 . 2]" 1 275 1 52 LYS HB2 1 57 THR MG 5.500 . 6.000 3.445 2.129 3.797 . 0 0 "[ . 1 . 2]" 1 276 1 56 GLN HA 1 57 THR HA 5.500 . 6.000 4.524 4.517 4.543 . 0 0 "[ . 1 . 2]" 1 277 1 56 GLN HB2 1 57 THR HA 5.500 . 6.000 4.767 4.582 5.677 . 0 0 "[ . 1 . 2]" 1 278 1 56 GLN HA 1 57 THR HB 5.500 . 6.000 5.604 5.590 5.619 . 0 0 "[ . 1 . 2]" 1 279 1 56 GLN HA 1 57 THR H 2.800 . 3.300 2.412 2.353 2.484 . 0 0 "[ . 1 . 2]" 1 280 1 56 GLN HB3 1 57 THR H 5.500 . 6.000 3.982 3.840 4.190 . 0 0 "[ . 1 . 2]" 1 281 1 50 THR MG 1 58 VAL HA 5.500 . 6.000 4.961 4.698 5.369 . 0 0 "[ . 1 . 2]" 1 282 1 51 SER HB2 1 58 VAL MG2 5.500 . 6.000 4.403 1.885 4.928 . 0 0 "[ . 1 . 2]" 1 283 1 57 THR HA 1 58 VAL HB 5.500 . 6.000 4.594 4.452 5.675 . 0 0 "[ . 1 . 2]" 1 284 1 57 THR H 1 58 VAL MG2 5.500 . 6.000 3.712 3.562 4.962 . 0 0 "[ . 1 . 2]" 1 285 1 50 THR HA 1 59 THR HA 5.500 . 6.000 1.967 1.851 2.030 . 0 0 "[ . 1 . 2]" 1 286 1 57 THR HB 1 59 THR HA 5.500 . 6.000 6.148 6.116 6.179 0.179 7 0 "[ . 1 . 2]" 1 287 1 57 THR HA 1 59 THR H 6.000 . 6.500 6.068 5.982 6.165 . 0 0 "[ . 1 . 2]" 1 288 1 57 THR HB 1 59 THR H 5.500 . 6.000 5.436 5.296 5.562 . 0 0 "[ . 1 . 2]" 1 289 1 58 VAL HA 1 59 THR HB 5.500 . 6.000 4.520 4.339 4.692 . 0 0 "[ . 1 . 2]" 1 290 1 53 THR H 1 57 THR HA 5.500 . 6.000 2.246 1.987 2.400 . 0 0 "[ . 1 . 2]" 1 291 1 59 THR MG 1 60 ASN HA 5.500 . 6.000 3.737 3.614 3.954 . 0 0 "[ . 1 . 2]" 1 292 1 59 THR HB 1 60 ASN H 5.500 . 6.000 4.150 3.942 4.346 . 0 0 "[ . 1 . 2]" 1 293 1 48 VAL MG2 1 61 SER HA 5.500 . 6.000 3.529 3.200 4.054 . 0 0 "[ . 1 . 2]" 1 294 1 48 VAL HA 1 61 SER HB3 5.500 . 6.000 4.278 3.328 4.894 . 0 0 "[ . 1 . 2]" 1 295 1 48 VAL MG2 1 61 SER HB3 5.500 . 6.000 3.812 2.468 4.753 . 0 0 "[ . 1 . 2]" 1 296 1 49 VAL H 1 61 SER HA 4.000 . 4.500 2.844 2.682 3.056 . 0 0 "[ . 1 . 2]" 1 297 1 59 THR MG 1 61 SER HA 5.500 . 6.000 5.530 4.982 6.288 0.288 7 0 "[ . 1 . 2]" 1 298 1 60 ASN HA 1 61 SER HA 5.500 . 6.000 4.537 4.491 4.567 . 0 0 "[ . 1 . 2]" 1 299 1 60 ASN HA 1 61 SER HB2 5.500 . 6.000 4.320 4.110 4.473 . 0 0 "[ . 1 . 2]" 1 300 1 60 ASN H 1 61 SER HB2 5.500 . 6.000 5.253 4.763 5.964 . 0 0 "[ . 1 . 2]" 1 301 1 60 ASN HA 1 61 SER H 2.800 . 3.300 2.313 2.222 2.358 . 0 0 "[ . 1 . 2]" 1 302 1 60 ASN HB3 1 61 SER H 5.500 . 6.000 2.979 2.833 3.388 . 0 0 "[ . 1 . 2]" 1 303 1 60 ASN HB2 1 61 SER H 5.500 . 6.000 3.964 3.740 4.216 . 0 0 "[ . 1 . 2]" 1 304 1 47 PHE QB 1 62 PHE QD . . 4.500 3.227 2.963 3.760 . 0 0 "[ . 1 . 2]" 1 305 1 60 ASN HA 1 62 PHE H 5.500 . 6.000 6.244 6.188 6.331 0.331 1 0 "[ . 1 . 2]" 1 306 1 60 ASN HB3 1 62 PHE H 5.500 . 6.000 5.660 5.504 5.850 . 0 0 "[ . 1 . 2]" 1 307 1 60 ASN HB2 1 62 PHE H 5.500 . 6.000 6.044 5.770 6.268 0.268 1 0 "[ . 1 . 2]" 1 308 1 61 SER HA 1 62 PHE HA 5.500 . 6.000 4.508 4.495 4.530 . 0 0 "[ . 1 . 2]" 1 309 1 61 SER HB2 1 62 PHE H 4.000 . 4.500 4.296 4.158 4.438 . 0 0 "[ . 1 . 2]" 1 310 1 45 ASP QB 1 63 THR HA 5.500 . 6.000 5.110 4.750 5.227 . 0 0 "[ . 1 . 2]" 1 311 1 46 ASP HA 1 63 THR HA 4.000 . 4.500 2.036 1.882 2.121 . 0 0 "[ . 1 . 2]" 1 312 1 62 PHE HA 1 63 THR HA 5.500 . 6.000 4.495 4.478 4.513 . 0 0 "[ . 1 . 2]" 1 313 1 62 PHE HA 1 63 THR HB 5.500 . 6.000 4.641 4.604 4.751 . 0 0 "[ . 1 . 2]" 1 314 1 62 PHE HA 1 63 THR H 4.000 . 4.500 2.490 2.411 2.554 . 0 0 "[ . 1 . 2]" 1 315 1 62 PHE HB3 1 63 THR H 5.500 . 6.000 3.828 3.732 3.945 . 0 0 "[ . 1 . 2]" 1 316 1 62 PHE HB2 1 63 THR H 5.500 . 6.000 2.499 2.362 2.687 . 0 0 "[ . 1 . 2]" 1 317 1 45 ASP HA 1 64 LEU QD . . 4.500 2.764 2.344 3.338 . 0 0 "[ . 1 . 2]" 1 318 1 47 PHE QE 1 64 LEU QD . . 4.500 2.114 1.758 2.371 0.042 7 0 "[ . 1 . 2]" 1 319 1 62 PHE HB3 1 70 ILE MD 5.500 . 6.000 2.821 2.480 3.279 . 0 0 "[ . 1 . 2]" 1 320 1 63 THR MG 1 64 LEU H 5.500 . 6.000 2.279 1.980 2.504 . 0 0 "[ . 1 . 2]" 1 321 1 64 LEU HA 1 65 GLY HA3 5.500 . 6.000 4.479 4.473 4.483 . 0 0 "[ . 1 . 2]" 1 322 1 64 LEU HB3 1 65 GLY HA3 5.500 . 6.000 4.453 4.362 4.547 . 0 0 "[ . 1 . 2]" 1 323 1 63 THR MG 1 66 LYS HB3 5.500 . 6.000 3.851 3.187 4.415 . 0 0 "[ . 1 . 2]" 1 324 1 63 THR MG 1 66 LYS H 5.500 . 6.000 3.950 3.649 4.289 . 0 0 "[ . 1 . 2]" 1 325 1 64 LEU HA 1 66 LYS H 5.500 . 6.000 3.453 3.400 3.544 . 0 0 "[ . 1 . 2]" 1 326 1 15 GLU H 1 32 ARG QB 5.500 . 6.000 5.584 4.588 6.420 0.420 4 0 "[ . 1 . 2]" 1 327 1 66 LYS HA 1 67 GLU HA 5.500 . 6.000 4.437 4.424 4.454 . 0 0 "[ . 1 . 2]" 1 328 1 61 SER H 1 68 ALA MB 5.500 . 6.000 4.949 4.641 5.090 . 0 0 "[ . 1 . 2]" 1 329 1 62 PHE HA 1 68 ALA HA 5.500 . 6.000 4.392 4.265 4.605 . 0 0 "[ . 1 . 2]" 1 330 1 62 PHE HB3 1 68 ALA MB 5.500 . 6.000 2.031 1.863 2.276 . 0 0 "[ . 1 . 2]" 1 331 1 62 PHE HB2 1 68 ALA MB 5.500 . 6.000 1.822 1.705 2.185 0.095 14 0 "[ . 1 . 2]" 1 332 1 62 PHE QD 1 68 ALA MB 5.500 . 6.000 3.432 3.303 3.707 . 0 0 "[ . 1 . 2]" 1 333 1 67 GLU HA 1 68 ALA HA 5.500 . 6.000 4.493 4.490 4.507 . 0 0 "[ . 1 . 2]" 1 334 1 67 GLU HB2 1 68 ALA HA 5.500 . 6.000 5.848 5.806 5.866 . 0 0 "[ . 1 . 2]" 1 335 1 67 GLU HG2 1 68 ALA HA 5.500 . 6.000 4.022 3.834 4.480 . 0 0 "[ . 1 . 2]" 1 336 1 67 GLU HA 1 68 ALA MB 5.500 . 6.000 3.915 3.816 3.961 . 0 0 "[ . 1 . 2]" 1 337 1 67 GLU HB2 1 68 ALA H 5.500 . 6.000 4.389 4.301 4.455 . 0 0 "[ . 1 . 2]" 1 338 1 67 GLU HG2 1 68 ALA H 5.500 . 6.000 3.135 2.580 3.269 . 0 0 "[ . 1 . 2]" 1 339 1 32 ARG HB3 1 33 ASP H 5.500 . 6.000 4.160 3.965 4.290 . 0 0 "[ . 1 . 2]" 1 340 1 68 ALA HA 1 69 ASP HA 5.500 . 6.000 4.437 4.432 4.442 . 0 0 "[ . 1 . 2]" 1 341 1 68 ALA HA 1 69 ASP HB2 5.500 . 6.000 4.980 4.627 5.726 . 0 0 "[ . 1 . 2]" 1 342 1 68 ALA HA 1 69 ASP H 2.800 . 3.300 2.303 2.264 2.323 . 0 0 "[ . 1 . 2]" 1 343 1 68 ALA MB 1 69 ASP H 4.000 . 4.500 2.898 2.830 3.010 . 0 0 "[ . 1 . 2]" 1 344 1 60 ASN HB3 1 70 ILE MD 4.000 . 4.500 2.099 1.850 3.627 . 0 0 "[ . 1 . 2]" 1 345 1 60 ASN HB2 1 70 ILE MD 4.000 . 4.500 3.089 2.798 4.400 . 0 0 "[ . 1 . 2]" 1 346 1 60 ASN HB3 1 70 ILE HG13 5.500 . 6.000 4.741 4.318 5.030 . 0 0 "[ . 1 . 2]" 1 347 1 60 ASN HB2 1 70 ILE HG13 5.500 . 6.000 5.759 5.394 6.021 0.021 4 0 "[ . 1 . 2]" 1 348 1 60 ASN HB2 1 70 ILE MG 5.500 . 6.000 3.966 3.064 4.233 . 0 0 "[ . 1 . 2]" 1 349 1 61 SER H 1 70 ILE MG 5.500 . 6.000 5.662 4.535 5.918 . 0 0 "[ . 1 . 2]" 1 350 1 62 PHE HB2 1 70 ILE MD 5.500 . 6.000 4.099 3.520 4.602 . 0 0 "[ . 1 . 2]" 1 351 1 62 PHE QD 1 70 ILE MD 5.500 . 6.000 2.287 2.098 2.882 . 0 0 "[ . 1 . 2]" 1 352 1 68 ALA MB 1 70 ILE MD 5.500 . 6.000 3.491 3.159 3.853 . 0 0 "[ . 1 . 2]" 1 353 1 68 ALA HA 1 70 ILE H 5.500 . 6.000 6.204 6.146 6.281 0.281 10 0 "[ . 1 . 2]" 1 354 1 68 ALA MB 1 70 ILE H 5.500 . 6.000 5.164 5.049 5.347 . 0 0 "[ . 1 . 2]" 1 355 1 69 ASP HA 1 70 ILE HA 5.500 . 6.000 4.500 4.490 4.516 . 0 0 "[ . 1 . 2]" 1 356 1 69 ASP H 1 70 ILE HA 5.500 . 6.000 5.351 5.267 5.462 . 0 0 "[ . 1 . 2]" 1 357 1 69 ASP HA 1 70 ILE HB 5.500 . 6.000 4.290 4.138 4.399 . 0 0 "[ . 1 . 2]" 1 358 1 58 VAL MG2 1 71 THR MG 5.500 . 6.000 4.162 3.483 5.495 . 0 0 "[ . 1 . 2]" 1 359 1 60 ASN HA 1 71 THR H 5.500 . 6.000 4.602 4.085 4.835 . 0 0 "[ . 1 . 2]" 1 360 1 70 ILE HA 1 71 THR HA 5.500 . 6.000 4.489 4.478 4.497 . 0 0 "[ . 1 . 2]" 1 361 1 70 ILE MD 1 71 THR HA 5.500 . 6.000 5.377 5.153 6.280 0.280 12 0 "[ . 1 . 2]" 1 362 1 70 ILE MG 1 71 THR HA 5.500 . 6.000 3.500 3.381 3.707 . 0 0 "[ . 1 . 2]" 1 363 1 70 ILE H 1 71 THR HA 5.500 . 6.000 4.840 4.735 4.917 . 0 0 "[ . 1 . 2]" 1 364 1 70 ILE HA 1 71 THR HB 5.500 . 6.000 4.832 4.416 5.620 . 0 0 "[ . 1 . 2]" 1 365 1 70 ILE HB 1 71 THR H 5.500 . 6.000 4.184 4.080 4.301 . 0 0 "[ . 1 . 2]" 1 366 1 70 ILE MD 1 71 THR H 5.500 . 6.000 3.127 2.872 4.882 . 0 0 "[ . 1 . 2]" 1 367 1 58 VAL MG1 1 72 THR HA 5.500 . 6.000 4.236 3.686 5.124 . 0 0 "[ . 1 . 2]" 1 368 1 71 THR HA 1 72 THR MG 5.500 . 6.000 4.261 3.408 5.129 . 0 0 "[ . 1 . 2]" 1 369 1 36 PRO HB3 1 73 MET ME 5.500 . 6.000 2.783 2.325 3.479 . 0 0 "[ . 1 . 2]" 1 370 1 53 THR MG 1 73 MET ME 4.000 . 4.500 2.412 1.851 3.104 . 0 0 "[ . 1 . 2]" 1 371 1 53 THR H 1 73 MET ME 5.500 . 6.000 4.818 4.206 5.398 . 0 0 "[ . 1 . 2]" 1 372 1 57 THR HA 1 73 MET ME 5.500 . 6.000 5.538 4.905 5.959 . 0 0 "[ . 1 . 2]" 1 373 1 58 VAL HA 1 73 MET HA 5.500 . 6.000 5.704 5.257 6.055 0.055 20 0 "[ . 1 . 2]" 1 374 1 58 VAL HB 1 73 MET HB2 4.000 . 4.500 4.626 4.433 4.908 0.408 3 0 "[ . 1 . 2]" 1 375 1 58 VAL MG2 1 73 MET HB2 5.500 . 6.000 3.960 2.398 4.212 . 0 0 "[ . 1 . 2]" 1 376 1 58 VAL H 1 73 MET ME 5.500 . 6.000 5.054 4.529 5.576 . 0 0 "[ . 1 . 2]" 1 377 1 58 VAL HB 1 73 MET HG3 5.500 . 6.000 3.186 1.970 4.323 . 0 0 "[ . 1 . 2]" 1 378 1 58 VAL MG2 1 73 MET HG3 5.500 . 6.000 2.444 1.801 3.054 . 0 0 "[ . 1 . 2]" 1 379 1 58 VAL HB 1 73 MET HG2 5.500 . 6.000 4.466 2.147 6.015 0.015 2 0 "[ . 1 . 2]" 1 380 1 58 VAL MG2 1 73 MET HG2 4.000 . 4.500 3.091 1.789 4.003 0.011 1 0 "[ . 1 . 2]" 1 381 1 72 THR HB 1 73 MET HA 5.500 . 6.000 4.931 4.787 5.138 . 0 0 "[ . 1 . 2]" 1 382 1 72 THR HA 1 73 MET HB2 5.500 . 6.000 4.293 4.208 4.598 . 0 0 "[ . 1 . 2]" 1 383 1 72 THR HA 1 73 MET HG3 5.500 . 6.000 5.552 3.834 6.206 0.206 4 0 "[ . 1 . 2]" 1 384 1 23 LEU MD2 1 74 ASP HB2 5.500 . 6.000 2.512 2.072 3.270 . 0 0 "[ . 1 . 2]" 1 385 1 58 VAL MG2 1 74 ASP H 5.500 . 6.000 5.108 4.755 5.456 . 0 0 "[ . 1 . 2]" 1 386 1 73 MET HA 1 74 ASP H 5.500 . 6.000 3.438 3.390 3.480 . 0 0 "[ . 1 . 2]" 1 387 1 71 THR MG 1 75 GLY H 5.500 . 6.000 5.148 3.969 5.958 . 0 0 "[ . 1 . 2]" 1 388 1 73 MET HA 1 75 GLY H 5.500 . 6.000 3.853 3.732 4.008 . 0 0 "[ . 1 . 2]" 1 389 1 74 ASP HA 1 75 GLY H 5.500 . 6.000 3.436 3.403 3.489 . 0 0 "[ . 1 . 2]" 1 390 1 72 THR MG 1 76 LYS HB3 5.500 . 6.000 2.768 1.745 3.659 0.055 2 0 "[ . 1 . 2]" 1 391 1 72 THR MG 1 76 LYS HB2 5.500 . 6.000 2.826 2.334 3.134 . 0 0 "[ . 1 . 2]" 1 392 1 72 THR MG 1 76 LYS HG3 5.500 . 6.000 4.632 4.308 4.917 . 0 0 "[ . 1 . 2]" 1 393 1 72 THR MG 1 76 LYS H 5.500 . 6.000 3.644 3.201 3.983 . 0 0 "[ . 1 . 2]" 1 394 1 35 LYS HA 1 36 PRO HA 5.500 . 6.000 4.599 4.579 4.619 . 0 0 "[ . 1 . 2]" 1 395 1 27 LEU QB 1 74 ASP HB3 5.500 . 6.000 5.560 4.854 6.093 0.093 16 0 "[ . 1 . 2]" 1 396 1 27 LEU QB 1 74 ASP HB2 5.500 . 6.000 4.789 4.402 5.299 . 0 0 "[ . 1 . 2]" 1 397 1 27 LEU HG 1 74 ASP HB3 5.500 . 6.000 5.348 4.493 6.186 0.186 11 0 "[ . 1 . 2]" 1 398 1 27 LEU HG 1 74 ASP HB2 5.500 . 6.000 4.987 4.307 5.665 . 0 0 "[ . 1 . 2]" 1 399 1 74 ASP HB3 1 76 LYS HG3 5.500 . 6.000 5.160 3.827 6.211 0.211 14 0 "[ . 1 . 2]" 1 400 1 75 GLY HA3 1 76 LYS HA 5.500 . 6.000 4.553 4.536 4.579 . 0 0 "[ . 1 . 2]" 1 401 1 76 LYS HA 1 77 LYS HA 5.500 . 6.000 4.483 4.480 4.485 . 0 0 "[ . 1 . 2]" 1 402 1 76 LYS HG2 1 77 LYS HA 5.500 . 6.000 5.810 5.408 5.962 . 0 0 "[ . 1 . 2]" 1 403 1 70 ILE HB 1 78 LEU MD1 5.500 . 6.000 3.315 2.587 3.801 . 0 0 "[ . 1 . 2]" 1 404 1 70 ILE HB 1 78 LEU HG 5.500 . 6.000 2.886 2.630 3.162 . 0 0 "[ . 1 . 2]" 1 405 1 70 ILE MG 1 78 LEU HG 5.500 . 6.000 3.402 3.196 4.047 . 0 0 "[ . 1 . 2]" 1 406 1 72 THR MG 1 78 LEU MD1 5.500 . 6.000 3.888 3.266 4.490 . 0 0 "[ . 1 . 2]" 1 407 1 72 THR MG 1 78 LEU HG 5.500 . 6.000 4.710 3.819 5.653 . 0 0 "[ . 1 . 2]" 1 408 1 72 THR MG 1 78 LEU H 5.500 . 6.000 5.408 4.401 6.462 0.462 18 0 "[ . 1 . 2]" 1 409 1 76 LYS HB3 1 78 LEU HB3 5.500 . 6.000 4.451 4.355 4.629 . 0 0 "[ . 1 . 2]" 1 410 1 76 LYS HB3 1 78 LEU HB2 5.500 . 6.000 6.010 5.924 6.151 0.151 14 0 "[ . 1 . 2]" 1 411 1 77 LYS HB3 1 78 LEU H 5.500 . 6.000 3.630 3.214 4.296 . 0 0 "[ . 1 . 2]" 1 412 1 77 LYS HB2 1 78 LEU H 5.500 . 6.000 4.168 3.295 4.389 . 0 0 "[ . 1 . 2]" 1 413 1 78 LEU HA 1 79 LYS HA 5.500 . 6.000 4.461 4.451 4.470 . 0 0 "[ . 1 . 2]" 1 414 1 78 LEU HB2 1 79 LYS HA 4.000 . 4.500 4.855 4.795 4.950 0.450 4 0 "[ . 1 . 2]" 1 415 1 78 LEU HA 1 79 LYS H 2.800 . 3.300 2.378 2.318 2.419 . 0 0 "[ . 1 . 2]" 1 416 1 78 LEU HB3 1 79 LYS H 5.500 . 6.000 4.015 3.945 4.116 . 0 0 "[ . 1 . 2]" 1 417 1 78 LEU HB2 1 79 LYS H 5.500 . 6.000 2.781 2.674 2.958 . 0 0 "[ . 1 . 2]" 1 418 1 67 GLU HG3 1 80 CYS HA 5.500 . 6.000 4.385 4.094 5.411 . 0 0 "[ . 1 . 2]" 1 419 1 68 ALA H 1 80 CYS HA 5.500 . 6.000 4.890 4.746 5.043 . 0 0 "[ . 1 . 2]" 1 420 1 68 ALA HA 1 80 CYS H 5.500 . 6.000 5.007 4.924 5.087 . 0 0 "[ . 1 . 2]" 1 421 1 68 ALA MB 1 80 CYS H 5.500 . 6.000 4.008 3.812 4.205 . 0 0 "[ . 1 . 2]" 1 422 1 70 ILE HG12 1 80 CYS HB3 5.500 . 6.000 5.049 4.270 6.030 0.030 12 0 "[ . 1 . 2]" 1 423 1 70 ILE HG12 1 80 CYS HB2 5.500 . 6.000 4.674 3.095 6.006 0.006 9 0 "[ . 1 . 2]" 1 424 1 79 LYS HB3 1 80 CYS HA 5.500 . 6.000 4.590 4.479 4.665 . 0 0 "[ . 1 . 2]" 1 425 1 79 LYS HG3 1 80 CYS H 5.500 . 6.000 4.991 4.586 5.171 . 0 0 "[ . 1 . 2]" 1 426 1 79 LYS HG2 1 80 CYS H 5.500 . 6.000 4.517 4.369 4.834 . 0 0 "[ . 1 . 2]" 1 427 1 65 GLY HA3 1 81 THR MG 5.500 . 6.000 4.624 4.170 5.714 . 0 0 "[ . 1 . 2]" 1 428 1 66 LYS HA 1 81 THR MG 5.500 . 6.000 3.339 3.081 3.460 . 0 0 "[ . 1 . 2]" 1 429 1 79 LYS HA 1 81 THR H 5.500 . 6.000 6.371 6.245 6.474 0.474 6 0 "[ . 1 . 2]" 1 430 1 79 LYS HB3 1 81 THR H 5.500 . 6.000 5.963 5.868 6.141 0.141 6 0 "[ . 1 . 2]" 1 431 1 79 LYS HB2 1 81 THR H 5.500 . 6.000 6.139 5.911 6.358 0.358 6 0 "[ . 1 . 2]" 1 432 1 80 CYS HA 1 81 THR HA 5.500 . 6.000 4.470 4.463 4.475 . 0 0 "[ . 1 . 2]" 1 433 1 80 CYS H 1 81 THR HA 5.500 . 6.000 4.556 4.482 4.657 . 0 0 "[ . 1 . 2]" 1 434 1 80 CYS HA 1 81 THR HB 5.500 . 6.000 4.934 4.652 5.636 . 0 0 "[ . 1 . 2]" 1 435 1 80 CYS HA 1 81 THR H 2.800 . 3.300 2.245 2.223 2.293 . 0 0 "[ . 1 . 2]" 1 436 1 47 PHE QB 1 82 VAL HB 5.500 . 6.000 4.383 4.056 5.018 . 0 0 "[ . 1 . 2]" 1 437 1 62 PHE QD 1 82 VAL HB . . 4.500 2.556 2.244 2.853 . 0 0 "[ . 1 . 2]" 1 438 1 62 PHE QD 1 82 VAL MG1 5.500 . 6.000 3.590 3.346 3.777 . 0 0 "[ . 1 . 2]" 1 439 1 62 PHE QD 1 82 VAL MG2 5.500 . 6.000 2.624 2.176 3.002 . 0 0 "[ . 1 . 2]" 1 440 1 91 THR H 1 99 GLU HA 5.500 . 6.000 3.533 3.416 3.644 . 0 0 "[ . 1 . 2]" 1 441 1 64 LEU HA 1 83 HIS HA 5.500 . 6.000 3.605 3.278 3.818 . 0 0 "[ . 1 . 2]" 1 442 1 64 LEU HB3 1 83 HIS HA 5.500 . 6.000 3.383 2.977 4.445 . 0 0 "[ . 1 . 2]" 1 443 1 64 LEU HB2 1 83 HIS HA 5.500 . 6.000 4.819 4.460 5.112 . 0 0 "[ . 1 . 2]" 1 444 1 64 LEU QD 1 89 LEU HA 5.500 . 6.000 3.708 3.408 3.906 . 0 0 "[ . 1 . 2]" 1 445 1 64 LEU QD 1 83 HIS HA 5.500 . 6.000 2.003 1.862 2.336 . 0 0 "[ . 1 . 2]" 1 446 1 64 LEU HB3 1 83 HIS HB3 5.500 . 6.000 5.601 5.003 6.329 0.329 1 0 "[ . 1 . 2]" 1 447 1 64 LEU HB3 1 83 HIS HB2 5.500 . 6.000 5.624 4.961 6.378 0.378 4 0 "[ . 1 . 2]" 1 448 1 65 GLY HA2 1 83 HIS HA 5.500 . 6.000 4.976 4.696 5.268 . 0 0 "[ . 1 . 2]" 1 449 1 65 GLY HA2 1 83 HIS HB3 5.500 . 6.000 5.168 4.419 6.428 0.428 11 0 "[ . 1 . 2]" 1 450 1 81 THR HB 1 83 HIS H 5.500 . 6.000 6.034 5.754 6.339 0.339 11 0 "[ . 1 . 2]" 1 451 1 82 VAL MG1 1 83 HIS HA 5.500 . 6.000 3.675 3.558 3.886 . 0 0 "[ . 1 . 2]" 1 452 1 82 VAL HB 1 83 HIS H 5.500 . 6.000 3.987 3.731 4.096 . 0 0 "[ . 1 . 2]" 1 453 1 64 LEU QD 1 84 LEU HA 5.500 . 6.000 3.550 3.158 3.853 . 0 0 "[ . 1 . 2]" 1 454 1 64 LEU QD 1 84 LEU HB3 5.500 . 6.000 3.910 3.338 4.355 . 0 0 "[ . 1 . 2]" 1 455 1 64 LEU QD 1 84 LEU HB2 5.500 . 6.000 2.844 1.983 3.555 . 0 0 "[ . 1 . 2]" 1 456 1 64 LEU QD 1 84 LEU MD2 5.500 . 6.000 3.007 2.571 3.415 . 0 0 "[ . 1 . 2]" 1 457 1 64 LEU QD 1 84 LEU HG 5.500 . 6.000 2.647 1.781 4.552 0.019 15 0 "[ . 1 . 2]" 1 458 1 64 LEU QD 1 84 LEU H 5.500 . 6.000 2.530 1.781 3.028 0.019 4 0 "[ . 1 . 2]" 1 459 1 82 VAL MG1 1 89 LEU HB3 5.500 . 6.000 4.021 3.839 4.197 . 0 0 "[ . 1 . 2]" 1 460 1 83 HIS HB3 1 84 LEU H 5.500 . 6.000 3.806 3.239 4.103 . 0 0 "[ . 1 . 2]" 1 461 1 83 HIS HB2 1 84 LEU H 4.000 . 4.500 3.275 2.698 4.396 . 0 0 "[ . 1 . 2]" 1 462 1 83 HIS HB3 1 85 ALA MB 5.500 . 6.000 5.094 3.444 5.870 . 0 0 "[ . 1 . 2]" 1 463 1 83 HIS HB2 1 85 ALA MB 5.500 . 6.000 4.674 4.311 5.124 . 0 0 "[ . 1 . 2]" 1 464 1 83 HIS HA 1 85 ALA H 5.500 . 6.000 6.016 5.536 6.257 0.257 14 0 "[ . 1 . 2]" 1 465 1 84 LEU HA 1 85 ALA HA 5.500 . 6.000 4.503 4.491 4.514 . 0 0 "[ . 1 . 2]" 1 466 1 84 LEU HB2 1 85 ALA HA 5.500 . 6.000 5.238 4.930 5.659 . 0 0 "[ . 1 . 2]" 1 467 1 84 LEU HA 1 85 ALA MB 5.500 . 6.000 3.944 3.845 4.116 . 0 0 "[ . 1 . 2]" 1 468 1 84 LEU HB3 1 85 ALA H 5.500 . 6.000 3.654 3.368 4.068 . 0 0 "[ . 1 . 2]" 1 469 1 84 LEU HB2 1 85 ALA H 5.500 . 6.000 4.490 4.335 4.672 . 0 0 "[ . 1 . 2]" 1 470 1 85 ALA HA 1 86 ASN HA 4.000 . 4.500 4.520 4.506 4.559 0.059 11 0 "[ . 1 . 2]" 1 471 1 85 ALA HA 1 87 GLY H 5.500 . 6.000 3.620 3.266 3.860 . 0 0 "[ . 1 . 2]" 1 472 1 85 ALA MB 1 87 GLY H 5.500 . 6.000 4.369 4.114 4.560 . 0 0 "[ . 1 . 2]" 1 473 1 86 ASN HA 1 87 GLY H 4.000 . 4.500 3.060 2.898 3.214 . 0 0 "[ . 1 . 2]" 1 474 1 84 LEU HA 1 88 LYS H 5.500 . 6.000 3.584 3.366 3.740 . 0 0 "[ . 1 . 2]" 1 475 1 84 LEU MD2 1 88 LYS H 5.500 . 6.000 3.196 2.315 4.270 . 0 0 "[ . 1 . 2]" 1 476 1 85 ALA MB 1 88 LYS H 5.500 . 6.000 4.041 3.834 4.260 . 0 0 "[ . 1 . 2]" 1 477 1 87 GLY HA2 1 88 LYS HG2 5.500 . 6.000 5.218 4.702 5.776 . 0 0 "[ . 1 . 2]" 1 478 1 47 PHE QE 1 89 LEU MD1 5.500 . 6.000 2.765 2.435 3.249 . 0 0 "[ . 1 . 2]" 1 479 1 47 PHE QB 1 89 LEU MD1 5.500 . 6.000 3.193 2.988 3.348 . 0 0 "[ . 1 . 2]" 1 480 1 64 LEU QD 1 89 LEU MD1 5.500 . 6.000 2.559 2.008 3.263 . 0 0 "[ . 1 . 2]" 1 481 1 82 VAL MG2 1 89 LEU HB3 5.500 . 6.000 5.862 5.640 6.031 0.031 3 0 "[ . 1 . 2]" 1 482 1 82 VAL MG1 1 89 LEU HB2 5.500 . 6.000 4.015 3.773 4.291 . 0 0 "[ . 1 . 2]" 1 483 1 82 VAL MG2 1 89 LEU MD2 5.500 . 6.000 2.763 2.498 2.950 . 0 0 "[ . 1 . 2]" 1 484 1 82 VAL MG2 1 89 LEU MD1 5.500 . 6.000 3.496 3.110 3.918 . 0 0 "[ . 1 . 2]" 1 485 1 84 LEU HA 1 89 LEU HA 4.000 . 4.500 2.544 2.344 2.779 . 0 0 "[ . 1 . 2]" 1 486 1 84 LEU MD2 1 89 LEU HA 5.500 . 6.000 3.108 2.089 4.825 . 0 0 "[ . 1 . 2]" 1 487 1 84 LEU MD2 1 89 LEU MD1 5.500 . 6.000 3.646 2.940 4.634 . 0 0 "[ . 1 . 2]" 1 488 1 84 LEU HA 1 89 LEU MD2 5.500 . 6.000 5.249 5.026 5.436 . 0 0 "[ . 1 . 2]" 1 489 1 84 LEU MD2 1 89 LEU MD2 5.500 . 6.000 5.013 4.155 6.148 0.148 10 0 "[ . 1 . 2]" 1 490 1 84 LEU MD2 1 89 LEU H 5.500 . 6.000 3.606 2.660 5.205 . 0 0 "[ . 1 . 2]" 1 491 1 88 LYS HA 1 89 LEU HA 5.500 . 6.000 4.486 4.455 4.531 . 0 0 "[ . 1 . 2]" 1 492 1 88 LYS HA 1 89 LEU HB2 5.500 . 6.000 4.362 4.325 4.410 . 0 0 "[ . 1 . 2]" 1 493 1 88 LYS HG3 1 89 LEU H 5.500 . 6.000 4.887 4.175 5.245 . 0 0 "[ . 1 . 2]" 1 494 1 83 HIS H 1 90 VAL MG1 5.500 . 6.000 4.901 4.727 5.095 . 0 0 "[ . 1 . 2]" 1 495 1 83 HIS HB3 1 90 VAL H 5.500 . 6.000 5.136 3.963 5.678 . 0 0 "[ . 1 . 2]" 1 496 1 83 HIS HB2 1 90 VAL H 5.500 . 6.000 5.050 4.069 5.572 . 0 0 "[ . 1 . 2]" 1 497 1 85 ALA HA 1 90 VAL MG2 5.500 . 6.000 5.218 4.565 5.710 . 0 0 "[ . 1 . 2]" 1 498 1 85 ALA MB 1 90 VAL MG2 5.500 . 6.000 2.790 2.308 3.282 . 0 0 "[ . 1 . 2]" 1 499 1 89 LEU HB3 1 90 VAL HA 5.500 . 6.000 4.498 4.401 4.593 . 0 0 "[ . 1 . 2]" 1 500 1 89 LEU HA 1 90 VAL MG2 5.500 . 6.000 3.584 3.379 3.735 . 0 0 "[ . 1 . 2]" 1 501 1 89 LEU HB2 1 90 VAL H 5.500 . 6.000 4.338 4.239 4.451 . 0 0 "[ . 1 . 2]" 1 502 1 80 CYS HA 1 91 THR HA 5.500 . 6.000 6.035 5.772 6.252 0.252 14 0 "[ . 1 . 2]" 1 503 1 80 CYS HA 1 91 THR MG 5.500 . 6.000 3.889 3.394 5.934 . 0 0 "[ . 1 . 2]" 1 504 1 80 CYS HB3 1 91 THR MG 5.500 . 6.000 2.621 1.743 4.715 0.057 19 0 "[ . 1 . 2]" 1 505 1 80 CYS HB2 1 91 THR MG 5.500 . 6.000 2.645 1.808 4.684 . 0 0 "[ . 1 . 2]" 1 506 1 81 THR H 1 91 THR MG 5.500 . 6.000 3.817 3.134 6.033 0.033 8 0 "[ . 1 . 2]" 1 507 1 82 VAL HA 1 91 THR HA 5.500 . 6.000 2.766 2.584 2.891 . 0 0 "[ . 1 . 2]" 1 508 1 82 VAL HA 1 91 THR MG 5.500 . 6.000 3.410 3.094 4.346 . 0 0 "[ . 1 . 2]" 1 509 1 82 VAL MG2 1 91 THR MG 5.500 . 6.000 2.634 2.097 3.331 . 0 0 "[ . 1 . 2]" 1 510 1 83 HIS H 1 91 THR HA 5.500 . 6.000 3.793 3.612 4.057 . 0 0 "[ . 1 . 2]" 1 511 1 90 VAL HA 1 91 THR HA 5.500 . 6.000 4.496 4.489 4.509 . 0 0 "[ . 1 . 2]" 1 512 1 90 VAL MG1 1 91 THR HA 5.500 . 6.000 4.083 3.785 5.634 . 0 0 "[ . 1 . 2]" 1 513 1 90 VAL HA 1 92 LYS HA 5.500 . 6.000 6.315 6.269 6.405 0.405 4 0 "[ . 1 . 2]" 1 514 1 101 GLU QB 1 108 VAL HA 5.500 . 6.000 5.717 5.475 6.348 0.348 7 0 "[ . 1 . 2]" 1 515 1 91 THR HA 1 92 LYS HA 5.500 . 6.000 4.555 4.517 4.604 . 0 0 "[ . 1 . 2]" 1 516 1 91 THR MG 1 92 LYS HA 5.500 . 6.000 4.148 3.987 4.255 . 0 0 "[ . 1 . 2]" 1 517 1 91 THR MG 1 92 LYS H 5.500 . 6.000 3.514 3.258 4.080 . 0 0 "[ . 1 . 2]" 1 518 1 92 LYS HA 1 93 SER H 4.000 . 4.500 2.410 2.326 2.505 . 0 0 "[ . 1 . 2]" 1 519 1 92 LYS HB3 1 93 SER H 5.500 . 6.000 3.963 3.810 4.117 . 0 0 "[ . 1 . 2]" 1 520 1 92 LYS HB2 1 94 GLU HA 5.500 . 6.000 6.357 6.280 6.408 0.408 9 0 "[ . 1 . 2]" 1 521 1 12 GLU QG 1 119 ILE HB 5.500 . 6.000 4.708 1.993 5.159 . 0 0 "[ . 1 . 2]" 1 522 1 93 SER HA 1 94 GLU H 5.500 . 6.000 2.784 2.630 2.898 . 0 0 "[ . 1 . 2]" 1 523 1 93 SER HB2 1 95 LYS HG3 5.500 . 6.000 4.633 3.531 6.369 0.369 9 0 "[ . 1 . 2]" 1 524 1 93 SER HB3 1 95 LYS H 5.500 . 6.000 2.901 2.571 3.203 . 0 0 "[ . 1 . 2]" 1 525 1 85 ALA MB 1 86 ASN H 4.000 . 4.500 3.189 2.781 3.454 . 0 0 "[ . 1 . 2]" 1 526 1 94 GLU HB2 1 95 LYS H 5.500 . 6.000 4.403 4.005 4.606 . 0 0 "[ . 1 . 2]" 1 527 1 17 PHE HZ 1 96 PHE HA 5.500 . 6.000 6.085 5.708 6.395 0.395 8 0 "[ . 1 . 2]" 1 528 1 17 PHE HZ 1 96 PHE HB2 5.500 . 6.000 4.735 4.340 5.109 . 0 0 "[ . 1 . 2]" 1 529 1 78 LEU MD1 1 96 PHE HZ 5.500 . 6.000 2.045 1.909 2.401 . 0 0 "[ . 1 . 2]" 1 530 1 80 CYS HB3 1 96 PHE HZ 5.500 . 6.000 3.825 2.627 4.973 . 0 0 "[ . 1 . 2]" 1 531 1 80 CYS HB2 1 96 PHE HZ 5.500 . 6.000 4.075 3.465 4.606 . 0 0 "[ . 1 . 2]" 1 532 1 91 THR MG 1 96 PHE HZ 4.000 . 4.500 3.870 3.378 4.602 0.102 4 0 "[ . 1 . 2]" 1 533 1 92 LYS HA 1 96 PHE HD1 5.500 . 6.000 4.160 3.711 4.712 . 0 0 "[ . 1 . 2]" 1 534 1 93 SER HB2 1 96 PHE HD2 5.500 . 6.000 5.037 4.217 5.798 . 0 0 "[ . 1 . 2]" 1 535 1 92 LYS HB2 1 97 SER HA 5.500 . 6.000 4.100 3.580 4.558 . 0 0 "[ . 1 . 2]" 1 536 1 92 LYS QB 1 97 SER HA 5.500 . 6.000 3.685 3.235 4.127 . 0 0 "[ . 1 . 2]" 1 537 1 96 PHE HB3 1 97 SER H 5.500 . 6.000 4.243 4.182 4.312 . 0 0 "[ . 1 . 2]" 1 538 1 96 PHE HB2 1 97 SER H 5.500 . 6.000 3.117 3.032 3.226 . 0 0 "[ . 1 . 2]" 1 539 1 91 THR HB 1 98 HIS HB3 5.500 . 6.000 2.030 1.646 3.880 0.154 13 0 "[ . 1 . 2]" 1 540 1 91 THR MG 1 98 HIS HB3 5.500 . 6.000 3.145 1.413 3.483 0.387 4 0 "[ . 1 . 2]" 1 541 1 91 THR HB 1 98 HIS HB2 5.500 . 6.000 3.411 2.992 5.451 . 0 0 "[ . 1 . 2]" 1 542 1 91 THR MG 1 98 HIS HB2 5.500 . 6.000 3.773 2.572 4.124 . 0 0 "[ . 1 . 2]" 1 543 1 96 PHE HE1 1 98 HIS HB3 5.500 . 6.000 4.495 4.045 4.845 . 0 0 "[ . 1 . 2]" 1 544 1 96 PHE HD1 1 98 HIS HB2 5.500 . 6.000 3.841 3.633 4.046 . 0 0 "[ . 1 . 2]" 1 545 1 90 VAL MG2 1 99 GLU HA 5.500 . 6.000 2.779 2.211 4.696 . 0 0 "[ . 1 . 2]" 1 546 1 90 VAL MG2 1 99 GLU HG2 5.500 . 6.000 2.813 1.835 5.382 . 0 0 "[ . 1 . 2]" 1 547 1 98 HIS HA 1 99 GLU HB2 5.500 . 6.000 4.388 3.989 5.605 . 0 0 "[ . 1 . 2]" 1 548 1 98 HIS HB2 1 99 GLU H 5.500 . 6.000 4.260 4.199 4.329 . 0 0 "[ . 1 . 2]" 1 549 1 88 LYS HA 1 100 GLN QB 5.500 . 6.000 5.673 5.179 5.982 . 0 0 "[ . 1 . 2]" 1 550 1 89 LEU HB3 1 100 GLN QB 5.500 . 6.000 2.962 2.707 3.255 . 0 0 "[ . 1 . 2]" 1 551 1 89 LEU HB2 1 100 GLN QB 5.500 . 6.000 4.272 4.029 4.560 . 0 0 "[ . 1 . 2]" 1 552 1 89 LEU MD2 1 100 GLN QB 5.500 . 6.000 3.338 3.086 3.636 . 0 0 "[ . 1 . 2]" 1 553 1 99 GLU HA 1 100 GLN H 4.000 . 4.500 2.214 2.210 2.223 . 0 0 "[ . 1 . 2]" 1 554 1 2 PHE HZ 1 101 GLU HA 5.500 . 6.000 2.405 2.066 3.315 . 0 0 "[ . 1 . 2]" 1 555 1 2 PHE HA 1 102 VAL MG1 5.500 . 6.000 3.181 2.845 3.643 . 0 0 "[ . 1 . 2]" 1 556 1 2 PHE QD 1 102 VAL MG1 5.500 . 6.000 3.320 2.708 4.599 . 0 0 "[ . 1 . 2]" 1 557 1 2 PHE HA 1 102 VAL MG2 5.500 . 6.000 3.261 1.944 3.837 . 0 0 "[ . 1 . 2]" 1 558 1 88 LYS HA 1 102 VAL H 5.500 . 6.000 4.869 4.553 5.200 . 0 0 "[ . 1 . 2]" 1 559 1 101 GLU HA 1 102 VAL HA 4.000 . 4.500 4.492 4.477 4.516 0.016 17 0 "[ . 1 . 2]" 1 560 1 101 GLU HB2 1 102 VAL HA 5.500 . 6.000 5.576 4.732 5.883 . 0 0 "[ . 1 . 2]" 1 561 1 101 GLU HA 1 102 VAL HB 5.500 . 6.000 4.274 4.209 4.598 . 0 0 "[ . 1 . 2]" 1 562 1 101 GLU HA 1 102 VAL MG1 5.500 . 6.000 3.833 3.662 5.404 . 0 0 "[ . 1 . 2]" 1 563 1 101 GLU HG2 1 103 LYS HG3 5.500 . 6.000 4.452 2.849 5.978 . 0 0 "[ . 1 . 2]" 1 564 1 102 VAL MG1 1 103 LYS H 5.500 . 6.000 3.714 2.456 3.923 . 0 0 "[ . 1 . 2]" 1 565 1 102 VAL HA 1 104 GLY H 5.500 . 6.000 5.427 5.328 5.555 . 0 0 "[ . 1 . 2]" 1 566 1 102 VAL MG1 1 104 GLY H 5.500 . 6.000 3.806 3.296 4.075 . 0 0 "[ . 1 . 2]" 1 567 1 103 LYS HA 1 104 GLY H 5.500 . 6.000 2.318 2.280 2.355 . 0 0 "[ . 1 . 2]" 1 568 1 6 TRP HH2 1 105 ASN HB3 5.500 . 6.000 5.506 5.146 6.140 0.140 4 0 "[ . 1 . 2]" 1 569 1 6 TRP HH2 1 105 ASN HB2 5.500 . 6.000 5.661 4.870 6.108 0.108 7 0 "[ . 1 . 2]" 1 570 1 103 LYS HB2 1 105 ASN H 5.500 . 6.000 5.497 5.170 5.789 . 0 0 "[ . 1 . 2]" 1 571 1 9 TYR QE 1 106 GLU HB3 5.500 . 6.000 4.204 3.367 4.527 . 0 0 "[ . 1 . 2]" 1 572 1 105 ASN HA 1 106 GLU HA 5.500 . 6.000 4.577 4.548 4.606 . 0 0 "[ . 1 . 2]" 1 573 1 105 ASN H 1 106 GLU HG2 5.500 . 6.000 4.976 4.245 5.228 . 0 0 "[ . 1 . 2]" 1 574 1 105 ASN HA 1 106 GLU H 5.500 . 6.000 3.217 3.141 3.288 . 0 0 "[ . 1 . 2]" 1 575 1 105 ASN HB3 1 106 GLU H 5.500 . 6.000 4.309 4.049 4.463 . 0 0 "[ . 1 . 2]" 1 576 1 105 ASN HB2 1 106 GLU H 5.500 . 6.000 4.027 3.634 4.463 . 0 0 "[ . 1 . 2]" 1 577 1 2 PHE HB3 1 107 MET ME 5.500 . 6.000 3.229 2.715 3.643 . 0 0 "[ . 1 . 2]" 1 578 1 4 GLY HA3 1 107 MET ME 5.500 . 6.000 5.504 5.132 5.793 . 0 0 "[ . 1 . 2]" 1 579 1 6 TRP HB2 1 107 MET ME 5.500 . 6.000 4.350 3.056 4.736 . 0 0 "[ . 1 . 2]" 1 580 1 6 TRP HD1 1 107 MET ME 5.500 . 6.000 3.224 2.406 3.666 . 0 0 "[ . 1 . 2]" 1 581 1 6 TRP HE1 1 107 MET ME 5.500 . 6.000 2.260 1.912 2.771 . 0 0 "[ . 1 . 2]" 1 582 1 40 ILE MD 1 107 MET ME 4.000 . 4.500 2.157 1.718 4.121 0.082 14 0 "[ . 1 . 2]" 1 583 1 40 ILE HG12 1 107 MET ME 5.500 . 6.000 4.357 3.436 5.086 . 0 0 "[ . 1 . 2]" 1 584 1 102 VAL HA 1 107 MET HA 4.000 . 4.500 2.138 1.940 2.380 . 0 0 "[ . 1 . 2]" 1 585 1 102 VAL HB 1 107 MET ME 5.500 . 6.000 2.503 2.013 4.230 . 0 0 "[ . 1 . 2]" 1 586 1 105 ASN HA 1 124 ARG HB3 5.500 . 6.000 3.636 3.271 3.898 . 0 0 "[ . 1 . 2]" 1 587 1 105 ASN HA 1 124 ARG HB2 5.500 . 6.000 3.504 3.250 3.731 . 0 0 "[ . 1 . 2]" 1 588 1 105 ASN HA 1 124 ARG QG 5.500 . 6.000 4.932 4.664 5.146 . 0 0 "[ . 1 . 2]" 1 589 1 105 ASN HB3 1 124 ARG HB3 5.500 . 6.000 3.908 3.098 4.802 . 0 0 "[ . 1 . 2]" 1 590 1 105 ASN HB2 1 124 ARG HB3 5.500 . 6.000 4.178 2.985 5.122 . 0 0 "[ . 1 . 2]" 1 591 1 105 ASN HB3 1 124 ARG HB2 5.500 . 6.000 4.724 4.068 5.391 . 0 0 "[ . 1 . 2]" 1 592 1 105 ASN HB2 1 124 ARG HB2 5.500 . 6.000 4.958 3.842 5.845 . 0 0 "[ . 1 . 2]" 1 593 1 106 GLU HA 1 107 MET HA 5.500 . 6.000 4.517 4.495 4.555 . 0 0 "[ . 1 . 2]" 1 594 1 106 GLU HA 1 107 MET HB3 5.500 . 6.000 4.964 4.357 5.450 . 0 0 "[ . 1 . 2]" 1 595 1 106 GLU HA 1 107 MET H 4.000 . 4.500 2.372 2.302 2.465 . 0 0 "[ . 1 . 2]" 1 596 1 106 GLU HB3 1 107 MET H 5.500 . 6.000 2.789 2.541 3.011 . 0 0 "[ . 1 . 2]" 1 597 1 106 GLU HB2 1 107 MET H 5.500 . 6.000 3.905 3.720 4.033 . 0 0 "[ . 1 . 2]" 1 598 1 101 GLU H 1 108 VAL HB 5.500 . 6.000 3.677 3.498 3.960 . 0 0 "[ . 1 . 2]" 1 599 1 107 MET HA 1 108 VAL HB 4.000 . 4.500 4.476 4.452 4.502 0.002 3 0 "[ . 1 . 2]" 1 600 1 107 MET HA 1 108 VAL H 4.000 . 4.500 2.255 2.241 2.269 . 0 0 "[ . 1 . 2]" 1 601 1 100 GLN QB 1 109 GLU HG2 4.000 . 4.500 1.985 1.550 2.337 0.250 13 0 "[ . 1 . 2]" 1 602 1 11 GLN HA 1 120 ARG QG 5.500 . 6.000 3.764 3.327 4.574 . 0 0 "[ . 1 . 2]" 1 603 1 107 MET HA 1 109 GLU H 5.500 . 6.000 6.076 5.965 6.201 0.201 17 0 "[ . 1 . 2]" 1 604 1 98 HIS HA 1 110 THR HA 5.500 . 6.000 6.067 5.822 6.331 0.331 9 0 "[ . 1 . 2]" 1 605 1 99 GLU H 1 110 THR MG 5.500 . 6.000 4.555 2.602 5.443 . 0 0 "[ . 1 . 2]" 1 606 1 96 PHE HB3 1 111 ILE MG 5.500 . 6.000 5.302 4.998 5.610 . 0 0 "[ . 1 . 2]" 1 607 1 98 HIS HD2 1 111 ILE MD 4.000 . 4.500 2.075 1.981 2.274 . 0 0 "[ . 1 . 2]" 1 608 1 98 HIS HA 1 111 ILE HG13 5.500 . 6.000 3.750 3.481 3.918 . 0 0 "[ . 1 . 2]" 1 609 1 98 HIS HA 1 111 ILE HG12 5.500 . 6.000 2.260 2.000 2.403 . 0 0 "[ . 1 . 2]" 1 610 1 98 HIS HA 1 111 ILE MG 5.500 . 6.000 2.476 1.998 3.007 . 0 0 "[ . 1 . 2]" 1 611 1 109 GLU HB3 1 111 ILE MD 5.500 . 6.000 3.291 3.063 3.571 . 0 0 "[ . 1 . 2]" 1 612 1 109 GLU HG2 1 111 ILE MD 5.500 . 6.000 4.749 4.464 5.025 . 0 0 "[ . 1 . 2]" 1 613 1 110 THR HA 1 111 ILE HA 5.500 . 6.000 4.490 4.488 4.492 . 0 0 "[ . 1 . 2]" 1 614 1 110 THR HA 1 111 ILE MD 5.500 . 6.000 4.923 4.844 5.011 . 0 0 "[ . 1 . 2]" 1 615 1 110 THR HA 1 111 ILE HG12 5.500 . 6.000 4.999 4.854 5.115 . 0 0 "[ . 1 . 2]" 1 616 1 110 THR HA 1 111 ILE H 4.000 . 4.500 2.213 2.210 2.220 . 0 0 "[ . 1 . 2]" 1 617 1 110 THR MG 1 111 ILE H 5.500 . 6.000 3.226 2.759 4.110 . 0 0 "[ . 1 . 2]" 1 618 1 97 SER H 1 112 THR MG 5.500 . 6.000 4.370 2.443 5.084 . 0 0 "[ . 1 . 2]" 1 619 1 97 SER H 1 112 THR HB 5.500 . 6.000 4.087 3.248 5.458 . 0 0 "[ . 1 . 2]" 1 620 1 110 THR HA 1 119 ILE QG 5.500 . 6.000 3.388 3.207 3.520 . 0 0 "[ . 1 . 2]" 1 621 1 110 THR HB 1 119 ILE QG 5.500 . 6.000 4.730 3.468 5.245 . 0 0 "[ . 1 . 2]" 1 622 1 111 ILE HA 1 112 THR HA 5.500 . 6.000 4.484 4.482 4.488 . 0 0 "[ . 1 . 2]" 1 623 1 111 ILE MG 1 112 THR H 5.500 . 6.000 2.679 2.447 2.810 . 0 0 "[ . 1 . 2]" 1 624 1 17 PHE QE 1 113 PHE HB2 5.500 . 6.000 2.665 2.244 3.405 . 0 0 "[ . 1 . 2]" 1 625 1 20 ALA MB 1 21 LEU H 5.500 . 6.000 2.685 2.428 2.879 . 0 0 "[ . 1 . 2]" 1 626 1 21 LEU QD 1 113 PHE HD2 5.500 . 6.000 2.818 2.345 3.553 . 0 0 "[ . 1 . 2]" 1 627 1 96 PHE HA 1 113 PHE HA 4.000 . 4.500 3.014 2.941 3.101 . 0 0 "[ . 1 . 2]" 1 628 1 96 PHE HB3 1 113 PHE HA 5.500 . 6.000 4.495 4.164 4.940 . 0 0 "[ . 1 . 2]" 1 629 1 96 PHE HA 1 113 PHE HB3 5.500 . 6.000 5.173 4.975 5.485 . 0 0 "[ . 1 . 2]" 1 630 1 96 PHE HB3 1 113 PHE HB3 5.500 . 6.000 5.570 5.304 5.889 . 0 0 "[ . 1 . 2]" 1 631 1 96 PHE HB2 1 113 PHE HB3 5.500 . 6.000 4.956 4.873 5.058 . 0 0 "[ . 1 . 2]" 1 632 1 111 ILE HB 1 113 PHE HB2 5.500 . 6.000 5.303 4.984 5.452 . 0 0 "[ . 1 . 2]" 1 633 1 112 THR HB 1 113 PHE H 5.500 . 6.000 3.951 3.281 4.273 . 0 0 "[ . 1 . 2]" 1 634 1 112 THR MG 1 113 PHE H 5.500 . 6.000 3.068 2.422 4.100 . 0 0 "[ . 1 . 2]" 1 635 1 20 ALA HA 1 114 GLY HA3 5.500 . 6.000 4.371 3.668 4.740 . 0 0 "[ . 1 . 2]" 1 636 1 20 ALA MB 1 114 GLY HA3 5.500 . 6.000 2.402 1.851 2.946 . 0 0 "[ . 1 . 2]" 1 637 1 21 LEU HA 1 114 GLY HA3 5.500 . 6.000 6.000 5.805 6.086 0.086 8 0 "[ . 1 . 2]" 1 638 1 113 PHE HE1 1 114 GLY HA3 5.500 . 6.000 4.143 3.966 4.376 . 0 0 "[ . 1 . 2]" 1 639 1 113 PHE HA 1 114 GLY HA2 5.500 . 6.000 4.494 4.491 4.497 . 0 0 "[ . 1 . 2]" 1 640 1 17 PHE HA 1 116 VAL MG2 5.500 . 6.000 3.598 3.216 4.311 . 0 0 "[ . 1 . 2]" 1 641 1 17 PHE QD 1 116 VAL MG2 5.500 . 6.000 4.613 3.903 5.069 . 0 0 "[ . 1 . 2]" 1 642 1 20 ALA MB 1 116 VAL MG1 5.500 . 6.000 3.364 3.127 3.650 . 0 0 "[ . 1 . 2]" 1 643 1 20 ALA HA 1 116 VAL MG2 5.500 . 6.000 4.589 4.220 4.858 . 0 0 "[ . 1 . 2]" 1 644 1 20 ALA MB 1 116 VAL H 5.500 . 6.000 4.044 3.663 4.260 . 0 0 "[ . 1 . 2]" 1 645 1 112 THR MG 1 116 VAL H 5.500 . 6.000 4.086 3.257 5.671 . 0 0 "[ . 1 . 2]" 1 646 1 114 GLY HA3 1 116 VAL MG2 5.500 . 6.000 3.409 3.282 3.622 . 0 0 "[ . 1 . 2]" 1 647 1 114 GLY HA3 1 116 VAL H 5.500 . 6.000 3.588 3.500 3.701 . 0 0 "[ . 1 . 2]" 1 648 1 115 GLY H 1 116 VAL HB 5.500 . 6.000 4.884 4.827 4.929 . 0 0 "[ . 1 . 2]" 1 649 1 110 THR HA 1 117 THR MG 4.000 . 4.500 3.885 3.766 4.095 . 0 0 "[ . 1 . 2]" 1 650 1 112 THR HA 1 117 THR HA 4.000 . 4.500 1.977 1.883 2.078 . 0 0 "[ . 1 . 2]" 1 651 1 112 THR MG 1 117 THR HA 5.500 . 6.000 3.088 2.383 4.429 . 0 0 "[ . 1 . 2]" 1 652 1 11 GLN QB 1 118 LEU QD . . 4.500 2.888 2.498 3.149 . 0 0 "[ . 1 . 2]" 1 653 1 14 TYR HA 1 118 LEU QD 4.000 . 4.500 1.886 1.757 2.161 0.043 1 0 "[ . 1 . 2]" 1 654 1 14 TYR HB3 1 118 LEU QD 5.500 . 6.000 3.959 3.700 4.276 . 0 0 "[ . 1 . 2]" 1 655 1 14 TYR HB2 1 118 LEU QD . . 4.500 3.033 2.626 3.452 . 0 0 "[ . 1 . 2]" 1 656 1 17 PHE HB2 1 118 LEU HB3 5.500 . 6.000 3.902 3.606 4.517 . 0 0 "[ . 1 . 2]" 1 657 1 17 PHE HB2 1 118 LEU HB2 5.500 . 6.000 2.226 1.865 2.807 . 0 0 "[ . 1 . 2]" 1 658 1 17 PHE HB3 1 118 LEU QD 5.500 . 6.000 2.405 1.925 2.986 . 0 0 "[ . 1 . 2]" 1 659 1 17 PHE HB2 1 118 LEU QD 5.500 . 6.000 2.606 2.259 3.245 . 0 0 "[ . 1 . 2]" 1 660 1 17 PHE QD 1 118 LEU QD 5.500 . 6.000 2.353 1.860 3.059 . 0 0 "[ . 1 . 2]" 1 661 1 111 ILE HB 1 118 LEU HB3 5.500 . 6.000 2.627 2.386 2.774 . 0 0 "[ . 1 . 2]" 1 662 1 111 ILE HB 1 118 LEU HB2 5.500 . 6.000 4.173 3.983 4.304 . 0 0 "[ . 1 . 2]" 1 663 1 111 ILE MD 1 118 LEU QD 5.500 . 6.000 3.020 2.654 3.175 . 0 0 "[ . 1 . 2]" 1 664 1 12 GLU HB3 1 119 ILE MG 5.500 . 6.000 4.533 4.191 5.762 . 0 0 "[ . 1 . 2]" 1 665 1 109 GLU H 1 119 ILE MG 5.500 . 6.000 3.955 3.720 4.191 . 0 0 "[ . 1 . 2]" 1 666 1 110 THR HA 1 119 ILE MD 5.500 . 6.000 5.043 4.873 5.152 . 0 0 "[ . 1 . 2]" 1 667 1 111 ILE H 1 119 ILE HG13 5.500 . 6.000 4.889 4.632 5.105 . 0 0 "[ . 1 . 2]" 1 668 1 111 ILE H 1 119 ILE HG12 5.500 . 6.000 4.965 4.762 5.202 . 0 0 "[ . 1 . 2]" 1 669 1 111 ILE H 1 119 ILE MG 5.500 . 6.000 5.547 5.454 5.657 . 0 0 "[ . 1 . 2]" 1 670 1 117 THR MG 1 119 ILE MD 5.500 . 6.000 3.508 3.320 3.681 . 0 0 "[ . 1 . 2]" 1 671 1 117 THR HA 1 119 ILE HG13 5.500 . 6.000 5.572 5.432 5.732 . 0 0 "[ . 1 . 2]" 1 672 1 118 LEU HA 1 119 ILE HB 5.500 . 6.000 4.461 4.415 4.523 . 0 0 "[ . 1 . 2]" 1 673 1 118 LEU QD 1 119 ILE HB 4.000 . 4.500 4.042 3.825 4.343 . 0 0 "[ . 1 . 2]" 1 674 1 118 LEU HA 1 119 ILE H 4.000 . 4.500 2.291 2.249 2.339 . 0 0 "[ . 1 . 2]" 1 675 1 118 LEU HB3 1 119 ILE H 4.000 . 4.500 4.066 3.901 4.257 . 0 0 "[ . 1 . 2]" 1 676 1 118 LEU QD 1 120 ARG HA 4.000 . 4.500 4.014 3.630 4.203 . 0 0 "[ . 1 . 2]" 1 677 1 9 TYR QE 1 121 ARG QB . . 3.300 2.999 2.261 4.869 1.569 17 4 "[ . 1 *-+ *2]" 1 678 1 10 ALA H 1 121 ARG QB . . 3.300 3.252 3.022 3.636 0.336 17 0 "[ . 1 . 2]" 1 679 1 10 ALA MB 1 121 ARG HD2 5.500 . 6.000 2.828 1.622 3.679 0.178 19 0 "[ . 1 . 2]" 1 680 1 108 VAL MG1 1 121 ARG HG2 5.500 . 6.000 3.368 2.789 4.773 . 0 0 "[ . 1 . 2]" 1 681 1 119 ILE MG 1 121 ARG HG3 5.500 . 6.000 3.176 2.467 5.295 . 0 0 "[ . 1 . 2]" 1 682 1 120 ARG HA 1 121 ARG QB 5.500 . 6.000 4.242 4.078 4.745 . 0 0 "[ . 1 . 2]" 1 683 1 6 TRP HB3 1 122 SER HB3 5.500 . 6.000 2.105 1.907 3.419 . 0 0 "[ . 1 . 2]" 1 684 1 6 TRP HE3 1 122 SER HB3 5.500 . 6.000 3.599 2.905 4.988 . 0 0 "[ . 1 . 2]" 1 685 1 6 TRP HB3 1 122 SER HB2 5.500 . 6.000 2.512 2.096 3.381 . 0 0 "[ . 1 . 2]" 1 686 1 8 VAL HA 1 122 SER HB3 5.500 . 6.000 3.531 2.435 4.362 . 0 0 "[ . 1 . 2]" 1 687 1 9 TYR HB2 1 122 SER HA 5.500 . 6.000 5.169 2.742 5.797 . 0 0 "[ . 1 . 2]" 1 688 1 9 TYR QD 1 122 SER HA . . 3.300 2.521 2.026 2.895 . 0 0 "[ . 1 . 2]" 1 689 1 10 ALA H 1 122 SER HA 5.500 . 6.000 4.433 4.201 4.954 . 0 0 "[ . 1 . 2]" 1 690 1 106 GLU HA 1 122 SER H 5.500 . 6.000 5.125 4.981 5.267 . 0 0 "[ . 1 . 2]" 1 691 1 107 MET HB3 1 122 SER HB3 5.500 . 6.000 3.615 1.935 4.264 . 0 0 "[ . 1 . 2]" 1 692 1 107 MET HB3 1 122 SER HB2 5.500 . 6.000 2.269 1.786 3.914 0.014 19 0 "[ . 1 . 2]" 1 693 1 107 MET HB2 1 122 SER HB2 5.500 . 6.000 3.060 2.161 4.686 . 0 0 "[ . 1 . 2]" 1 694 1 99 GLU HB2 1 110 THR HB 5.500 . 6.000 3.595 2.228 5.228 . 0 0 "[ . 1 . 2]" 1 695 1 121 ARG HG2 1 122 SER HA 5.500 . 6.000 6.182 6.007 6.356 0.356 13 0 "[ . 1 . 2]" 1 696 1 121 ARG HA 1 122 SER HB3 5.500 . 6.000 5.589 4.724 5.700 . 0 0 "[ . 1 . 2]" 1 697 1 121 ARG QB 1 122 SER H 5.500 . 6.000 3.365 3.063 3.464 . 0 0 "[ . 1 . 2]" 1 698 1 6 TRP HE3 1 123 LYS HA 5.500 . 6.000 2.957 2.718 3.199 . 0 0 "[ . 1 . 2]" 1 699 1 6 TRP HA 1 123 LYS H 5.500 . 6.000 4.006 3.571 4.538 . 0 0 "[ . 1 . 2]" 1 700 1 9 TYR QE 1 123 LYS HA 5.500 . 6.000 3.164 1.166 4.226 0.634 17 3 "[ . 1 - + *2]" 1 701 1 9 TYR QD 1 123 LYS HB2 . . 4.500 2.929 2.335 4.222 . 0 0 "[ . 1 . 2]" 1 702 1 9 TYR QE 1 123 LYS HB2 . . 3.300 2.636 1.845 3.454 0.154 14 0 "[ . 1 . 2]" 1 703 1 9 TYR QD 1 123 LYS HD2 . . 4.500 4.247 3.562 4.593 0.093 2 0 "[ . 1 . 2]" 1 704 1 9 TYR QD 1 123 LYS HG3 5.500 . 6.000 4.904 3.401 5.360 . 0 0 "[ . 1 . 2]" 1 705 1 106 GLU HA 1 123 LYS HA 4.000 . 4.500 2.312 2.044 2.549 . 0 0 "[ . 1 . 2]" 1 706 1 106 GLU HB3 1 123 LYS HA 5.500 . 6.000 4.273 3.952 4.569 . 0 0 "[ . 1 . 2]" 1 707 1 106 GLU HA 1 123 LYS HB2 5.500 . 6.000 4.445 4.060 4.933 . 0 0 "[ . 1 . 2]" 1 708 1 107 MET H 1 123 LYS HA 5.500 . 6.000 3.160 3.058 3.304 . 0 0 "[ . 1 . 2]" 1 709 1 122 SER HA 1 123 LYS HB2 5.500 . 6.000 4.229 3.993 5.651 . 0 0 "[ . 1 . 2]" 1 710 1 122 SER HB3 1 123 LYS H 5.500 . 6.000 2.985 2.688 3.736 . 0 0 "[ . 1 . 2]" 1 711 1 122 SER HB2 1 123 LYS H 5.500 . 6.000 3.863 2.580 4.318 . 0 0 "[ . 1 . 2]" 1 712 1 6 TRP HA 1 124 ARG HA 4.000 . 4.500 2.630 1.971 2.915 . 0 0 "[ . 1 . 2]" 1 713 1 6 TRP HA 1 124 ARG HB3 5.500 . 6.000 5.523 4.969 5.744 . 0 0 "[ . 1 . 2]" 1 714 1 6 TRP HE3 1 124 ARG HB3 5.500 . 6.000 4.872 4.664 5.350 . 0 0 "[ . 1 . 2]" 1 715 1 6 TRP HE3 1 124 ARG HB2 5.500 . 6.000 3.600 3.314 4.000 . 0 0 "[ . 1 . 2]" 1 716 1 6 TRP HZ3 1 124 ARG HD3 5.500 . 6.000 5.189 4.180 5.919 . 0 0 "[ . 1 . 2]" 1 717 1 6 TRP HZ3 1 124 ARG HD2 5.500 . 6.000 4.883 4.099 6.020 0.020 3 0 "[ . 1 . 2]" 1 718 1 6 TRP HE3 1 124 ARG HG2 5.500 . 6.000 5.929 5.766 6.002 0.002 5 0 "[ . 1 . 2]" 1 719 1 123 LYS HA 1 124 ARG HB3 5.500 . 6.000 4.768 4.682 5.026 . 0 0 "[ . 1 . 2]" 1 720 1 5 THR MG 1 125 VAL HB 5.500 . 6.000 4.091 2.643 6.022 0.022 5 0 "[ . 1 . 2]" 1 721 1 5 THR MG 1 125 VAL MG2 4.000 . 4.500 3.461 2.060 4.607 0.107 7 0 "[ . 1 . 2]" 1 722 1 6 TRP HA 1 125 VAL MG1 5.500 . 6.000 4.943 3.370 6.109 0.109 2 0 "[ . 1 . 2]" 1 723 1 6 TRP HA 1 125 VAL MG2 5.500 . 6.000 4.202 3.291 6.113 0.113 14 0 "[ . 1 . 2]" 1 724 1 37 ILE HG12 1 125 VAL MG1 5.500 . 6.000 5.294 3.841 5.932 . 0 0 "[ . 1 . 2]" 1 725 1 123 LYS HB2 1 124 ARG H 5.500 . 6.000 4.084 3.059 4.297 . 0 0 "[ . 1 . 2]" 1 726 1 124 ARG HA 1 125 VAL MG1 5.500 . 6.000 4.451 3.410 5.464 . 0 0 "[ . 1 . 2]" 1 727 1 124 ARG HD3 1 125 VAL H 5.500 . 6.000 5.315 5.137 5.446 . 0 0 "[ . 1 . 2]" 1 728 1 124 ARG HD2 1 125 VAL H 5.500 . 6.000 5.363 5.080 5.542 . 0 0 "[ . 1 . 2]" 1 729 1 124 ARG HG3 1 125 VAL H 5.500 . 6.000 3.122 3.013 3.403 . 0 0 "[ . 1 . 2]" 1 730 1 124 ARG HG2 1 125 VAL H 5.500 . 6.000 2.920 2.726 3.068 . 0 0 "[ . 1 . 2]" 1 731 1 20 ALA HA 1 22 ALA H 4.000 . 4.500 3.725 3.577 3.881 . 0 0 "[ . 1 . 2]" 1 732 1 21 LEU H 1 22 ALA HA 5.500 . 6.000 5.075 5.015 5.128 . 0 0 "[ . 1 . 2]" 1 733 1 21 LEU H 1 22 ALA MB 5.500 . 6.000 4.698 4.660 4.736 . 0 0 "[ . 1 . 2]" 1 734 1 22 ALA MB 1 23 LEU HA 5.500 . 6.000 4.119 4.073 4.191 . 0 0 "[ . 1 . 2]" 1 735 1 21 LEU HA 1 22 ALA MB 5.500 . 6.000 3.660 3.574 3.737 . 0 0 "[ . 1 . 2]" 1 736 1 31 ALA HA 1 34 ILE MD 4.000 . 4.500 1.982 1.903 2.101 . 0 0 "[ . 1 . 2]" 1 737 1 31 ALA HA 1 34 ILE QG 4.000 . 4.500 2.729 2.496 2.961 . 0 0 "[ . 1 . 2]" 1 738 1 31 ALA HA 1 34 ILE HB 4.000 . 4.500 2.577 2.375 2.878 . 0 0 "[ . 1 . 2]" 1 739 1 31 ALA HA 1 34 ILE H 5.500 . 6.000 3.829 3.620 4.131 . 0 0 "[ . 1 . 2]" 1 740 1 4 GLY HA3 1 6 TRP HZ2 5.500 . 6.000 4.466 4.029 4.849 . 0 0 "[ . 1 . 2]" 1 741 1 44 GLY HA3 1 46 ASP H 4.000 . 4.500 3.694 3.638 3.743 . 0 0 "[ . 1 . 2]" 1 742 1 44 GLY HA2 1 46 ASP H 4.000 . 4.500 4.701 4.633 4.771 0.271 1 0 "[ . 1 . 2]" 1 743 1 43 LYS HB2 1 44 GLY HA3 5.500 . 6.000 5.073 4.749 5.197 . 0 0 "[ . 1 . 2]" 1 744 1 65 GLY HA2 1 81 THR MG 4.000 . 4.500 3.487 2.943 4.777 0.277 19 0 "[ . 1 . 2]" 1 745 1 64 LEU QB 1 65 GLY HA3 5.500 . 6.000 4.160 4.109 4.311 . 0 0 "[ . 1 . 2]" 1 746 1 64 LEU QB 1 65 GLY HA2 5.500 . 6.000 4.671 4.572 5.019 . 0 0 "[ . 1 . 2]" 1 747 1 84 LEU QB 1 87 GLY HA3 5.500 . 6.000 5.758 5.498 6.060 0.060 7 0 "[ . 1 . 2]" 1 748 1 84 LEU QB 1 87 GLY HA2 5.500 . 6.000 4.192 3.932 4.563 . 0 0 "[ . 1 . 2]" 1 749 1 84 LEU MD2 1 87 GLY HA3 5.500 . 6.000 4.755 3.788 5.164 . 0 0 "[ . 1 . 2]" 1 750 1 84 LEU MD2 1 87 GLY HA2 5.500 . 6.000 3.339 2.376 3.928 . 0 0 "[ . 1 . 2]" 1 751 1 75 GLY HA3 1 76 LYS QG 5.500 . 6.000 4.888 4.732 5.191 . 0 0 "[ . 1 . 2]" 1 752 1 75 GLY HA2 1 76 LYS QG 5.500 . 6.000 5.379 5.260 5.522 . 0 0 "[ . 1 . 2]" 1 753 1 75 GLY HA3 1 76 LYS H 4.000 . 4.500 3.512 3.449 3.581 . 0 0 "[ . 1 . 2]" 1 754 1 74 ASP H 1 75 GLY HA3 5.500 . 6.000 5.109 5.039 5.180 . 0 0 "[ . 1 . 2]" 1 755 1 74 ASP H 1 75 GLY HA2 5.500 . 6.000 4.820 4.739 4.899 . 0 0 "[ . 1 . 2]" 1 756 1 104 GLY HA3 1 105 ASN H 4.000 . 4.500 2.214 2.188 2.266 . 0 0 "[ . 1 . 2]" 1 757 1 104 GLY HA2 1 105 ASN H 4.000 . 4.500 3.405 3.315 3.482 . 0 0 "[ . 1 . 2]" 1 758 1 104 GLY HA3 1 106 GLU H 5.500 . 6.000 3.659 3.506 3.830 . 0 0 "[ . 1 . 2]" 1 759 1 104 GLY HA2 1 106 GLU H 5.500 . 6.000 4.659 4.515 4.766 . 0 0 "[ . 1 . 2]" 1 760 1 104 GLY HA3 1 105 ASN HA 5.500 . 6.000 4.468 4.462 4.481 . 0 0 "[ . 1 . 2]" 1 761 1 104 GLY HA2 1 105 ASN HA 5.500 . 6.000 4.549 4.512 4.580 . 0 0 "[ . 1 . 2]" 1 762 1 103 LYS HA 1 104 GLY HA3 5.500 . 6.000 4.420 4.415 4.424 . 0 0 "[ . 1 . 2]" 1 763 1 103 LYS HA 1 104 GLY HA2 5.500 . 6.000 4.512 4.502 4.520 . 0 0 "[ . 1 . 2]" 1 764 1 114 GLY HA2 1 115 GLY HA2 5.500 . 6.000 4.867 4.849 4.883 . 0 0 "[ . 1 . 2]" 1 765 1 113 PHE HD1 1 114 GLY HA3 4.000 . 4.500 2.864 2.772 3.328 . 0 0 "[ . 1 . 2]" 1 766 1 13 ASN HB2 1 14 TYR H 4.000 . 4.500 3.996 3.410 4.418 . 0 0 "[ . 1 . 2]" 1 767 1 13 ASN HB3 1 14 TYR H 4.000 . 4.500 4.289 3.368 4.528 0.028 20 0 "[ . 1 . 2]" 1 768 1 13 ASN HB2 1 118 LEU HA 4.000 . 4.500 3.513 2.947 4.741 0.241 17 0 "[ . 1 . 2]" 1 769 1 13 ASN HB3 1 118 LEU HA 4.000 . 4.500 4.006 2.855 4.794 0.294 15 0 "[ . 1 . 2]" 1 770 1 13 ASN HB2 1 16 GLU HB2 4.000 . 4.500 4.127 3.618 4.419 . 0 0 "[ . 1 . 2]" 1 771 1 13 ASN HB3 1 16 GLU HB2 4.000 . 4.500 2.890 2.300 3.992 . 0 0 "[ . 1 . 2]" 1 772 1 13 ASN HB2 1 118 LEU QB 5.500 . 6.000 4.756 4.123 6.022 0.022 17 0 "[ . 1 . 2]" 1 773 1 13 ASN HB3 1 118 LEU QB 5.500 . 6.000 4.750 3.906 5.280 . 0 0 "[ . 1 . 2]" 1 774 1 13 ASN HB2 1 116 VAL MG1 5.500 . 6.000 4.489 3.782 5.092 . 0 0 "[ . 1 . 2]" 1 775 1 13 ASN HB3 1 116 VAL MG1 5.500 . 6.000 3.664 2.946 4.556 . 0 0 "[ . 1 . 2]" 1 776 1 27 LEU HA 1 31 ALA H 5.500 . 6.000 4.038 3.800 4.513 . 0 0 "[ . 1 . 2]" 1 777 1 26 ASP HB3 1 27 LEU H 4.000 . 4.500 3.270 2.479 3.927 . 0 0 "[ . 1 . 2]" 1 778 1 26 ASP HB2 1 27 LEU H 4.000 . 4.500 3.323 2.659 3.938 . 0 0 "[ . 1 . 2]" 1 779 1 26 ASP HB3 1 28 ILE H 5.500 . 6.000 5.284 4.910 5.794 . 0 0 "[ . 1 . 2]" 1 780 1 26 ASP HB2 1 28 ILE H 5.500 . 6.000 5.329 4.804 5.937 . 0 0 "[ . 1 . 2]" 1 781 1 24 PRO QB 1 26 ASP HB3 5.500 . 6.000 3.744 2.700 4.478 . 0 0 "[ . 1 . 2]" 1 782 1 24 PRO QB 1 26 ASP HB2 5.500 . 6.000 3.365 2.756 4.595 . 0 0 "[ . 1 . 2]" 1 783 1 25 GLU QB 1 26 ASP HB3 5.500 . 6.000 5.192 4.743 6.062 0.062 12 0 "[ . 1 . 2]" 1 784 1 25 GLU QB 1 26 ASP HB2 5.500 . 6.000 4.456 3.935 6.028 0.028 15 0 "[ . 1 . 2]" 1 785 1 43 LYS H 1 46 ASP HB3 5.500 . 6.000 4.182 3.645 5.418 . 0 0 "[ . 1 . 2]" 1 786 1 43 LYS H 1 46 ASP HB2 5.500 . 6.000 4.969 3.699 5.678 . 0 0 "[ . 1 . 2]" 1 787 1 46 ASP HB3 1 47 PHE H 5.500 . 6.000 3.662 2.784 4.098 . 0 0 "[ . 1 . 2]" 1 788 1 46 ASP HB2 1 47 PHE H 5.500 . 6.000 4.112 3.853 4.249 . 0 0 "[ . 1 . 2]" 1 789 1 45 ASP QB 1 63 THR MG 4.000 . 4.500 3.146 2.988 3.270 . 0 0 "[ . 1 . 2]" 1 790 1 45 ASP QB 1 64 LEU H 4.000 . 4.500 3.700 3.194 3.863 . 0 0 "[ . 1 . 2]" 1 791 1 32 ARG QG 1 33 ASP HB3 4.000 . 4.500 3.584 2.354 4.190 . 0 0 "[ . 1 . 2]" 1 792 1 32 ARG QG 1 33 ASP HB2 4.000 . 4.500 2.960 2.245 4.287 . 0 0 "[ . 1 . 2]" 1 793 1 69 ASP HA 1 70 ILE QG 4.000 . 4.500 3.838 3.519 4.083 . 0 0 "[ . 1 . 2]" 1 794 1 69 ASP HA 1 70 ILE MD 5.500 . 6.000 4.817 4.627 5.038 . 0 0 "[ . 1 . 2]" 1 795 1 69 ASP HA 1 79 LYS HA 2.800 . 3.300 2.407 2.275 2.561 . 0 0 "[ . 1 . 2]" 1 796 1 69 ASP HA 1 80 CYS H 5.500 . 6.000 3.982 3.754 4.204 . 0 0 "[ . 1 . 2]" 1 797 1 8 VAL MG1 1 35 LYS HA 4.000 . 4.500 3.462 2.386 4.239 . 0 0 "[ . 1 . 2]" 1 798 1 23 LEU QB 1 74 ASP HB3 5.500 . 6.000 5.303 4.359 6.297 0.297 7 0 "[ . 1 . 2]" 1 799 1 23 LEU QB 1 74 ASP HB2 5.500 . 6.000 4.848 4.118 5.801 . 0 0 "[ . 1 . 2]" 1 800 1 74 ASP HB3 1 76 LYS QG 5.500 . 6.000 5.001 3.753 5.958 . 0 0 "[ . 1 . 2]" 1 801 1 74 ASP HB2 1 76 LYS QG 5.500 . 6.000 4.828 4.233 6.117 0.117 2 0 "[ . 1 . 2]" 1 802 1 27 LEU MD2 1 74 ASP HB3 4.000 . 4.500 2.798 2.075 3.404 . 0 0 "[ . 1 . 2]" 1 803 1 27 LEU MD2 1 74 ASP HB2 4.000 . 4.500 2.345 1.958 2.907 . 0 0 "[ . 1 . 2]" 1 804 1 23 LEU MD2 1 74 ASP HB3 5.500 . 6.000 2.846 2.085 3.593 . 0 0 "[ . 1 . 2]" 1 805 1 86 ASN HB3 1 88 LYS H 5.500 . 6.000 4.670 4.027 5.560 . 0 0 "[ . 1 . 2]" 1 806 1 86 ASN HB2 1 88 LYS H 5.500 . 6.000 4.922 4.014 5.615 . 0 0 "[ . 1 . 2]" 1 807 1 86 ASN HB3 1 87 GLY H 5.500 . 6.000 4.126 3.748 4.517 . 0 0 "[ . 1 . 2]" 1 808 1 86 ASN HB2 1 87 GLY H 5.500 . 6.000 4.221 3.775 4.532 . 0 0 "[ . 1 . 2]" 1 809 1 99 GLU H 1 111 ILE HA 4.000 . 4.500 3.173 2.802 3.516 . 0 0 "[ . 1 . 2]" 1 810 1 12 GLU HA 1 13 ASN H 2.800 . 3.300 2.297 2.213 2.382 . 0 0 "[ . 1 . 2]" 1 811 1 12 GLU HA 1 14 TYR H 4.000 . 4.500 3.407 3.299 3.637 . 0 0 "[ . 1 . 2]" 1 812 1 16 GLU HA 1 17 PHE H 5.500 . 6.000 3.589 3.574 3.592 . 0 0 "[ . 1 . 2]" 1 813 1 16 GLU HA 1 19 LYS HD2 4.000 . 4.500 2.587 2.052 3.963 . 0 0 "[ . 1 . 2]" 1 814 1 25 GLU HA 1 28 ILE QG 5.500 . 6.000 3.194 2.768 3.486 . 0 0 "[ . 1 . 2]" 1 815 1 25 GLU HA 1 28 ILE HB 2.800 . 3.300 2.300 2.006 2.435 . 0 0 "[ . 1 . 2]" 1 816 1 24 PRO HA 1 25 GLU HA 5.500 . 6.000 4.454 4.443 4.471 . 0 0 "[ . 1 . 2]" 1 817 1 7 GLN HB2 1 37 ILE HA 5.500 . 6.000 4.670 4.107 5.998 . 0 0 "[ . 1 . 2]" 1 818 1 37 ILE HA 1 38 VAL H 2.800 . 3.300 2.415 2.338 2.545 . 0 0 "[ . 1 . 2]" 1 819 1 48 VAL HA 1 61 SER QB 5.500 . 6.000 3.487 3.257 3.684 . 0 0 "[ . 1 . 2]" 1 820 1 48 VAL HA 1 61 SER HA 2.800 . 3.300 2.346 2.150 2.720 . 0 0 "[ . 1 . 2]" 1 821 1 48 VAL HA 1 62 PHE H 5.500 . 6.000 3.302 3.084 3.774 . 0 0 "[ . 1 . 2]" 1 822 1 67 GLU HA 1 80 CYS H 4.000 . 4.500 4.167 3.880 4.499 . 0 0 "[ . 1 . 2]" 1 823 1 67 GLU HA 1 79 LYS QB 4.000 . 4.500 4.567 4.471 4.739 0.239 3 0 "[ . 1 . 2]" 1 824 1 67 GLU HA 1 81 THR MG 5.500 . 6.000 2.790 1.721 3.298 0.079 19 0 "[ . 1 . 2]" 1 825 1 108 VAL HA 1 121 ARG HA 4.000 . 4.500 2.267 1.840 2.412 . 0 0 "[ . 1 . 2]" 1 826 1 111 ILE H 1 119 ILE HA 4.000 . 4.500 3.913 3.818 4.076 . 0 0 "[ . 1 . 2]" 1 827 1 118 LEU HG 1 119 ILE HA 5.500 . 6.000 3.736 3.627 3.855 . 0 0 "[ . 1 . 2]" 1 828 1 108 VAL MG1 1 119 ILE HA 4.000 . 4.500 3.943 3.724 4.242 . 0 0 "[ . 1 . 2]" 1 829 1 109 GLU H 1 119 ILE HA 4.000 . 4.500 4.424 4.286 4.595 0.095 20 0 "[ . 1 . 2]" 1 830 1 7 GLN HB2 1 125 VAL MG1 4.000 . 4.500 3.583 2.111 4.593 0.093 18 0 "[ . 1 . 2]" 1 831 1 7 GLN HB2 1 125 VAL MG2 4.000 . 4.500 3.095 1.923 4.777 0.277 17 0 "[ . 1 . 2]" 1 832 1 39 GLU HB2 1 50 THR HB 5.500 3.300 6.000 3.454 3.226 3.681 0.074 19 0 "[ . 1 . 2]" 1 833 1 39 GLU HB3 1 49 VAL HA 5.500 . 6.000 4.602 4.071 4.932 . 0 0 "[ . 1 . 2]" 1 834 1 39 GLU HB2 1 49 VAL HA 5.500 . 6.000 5.970 5.642 6.233 0.233 4 0 "[ . 1 . 2]" 1 835 1 7 GLN QG 1 37 ILE QG 5.500 . 6.000 2.471 1.931 2.981 . 0 0 "[ . 1 . 2]" 1 836 1 7 GLN QG 1 35 LYS QB 5.500 . 6.000 3.654 2.975 5.690 . 0 0 "[ . 1 . 2]" 1 837 1 50 THR MG 1 52 LYS QB 5.500 . 6.000 4.175 3.320 4.392 . 0 0 "[ . 1 . 2]" 1 838 1 12 GLU HA 1 118 LEU QD 5.500 . 6.000 4.426 4.195 4.725 . 0 0 "[ . 1 . 2]" 1 839 1 3 SER QB 1 41 GLN HA 4.000 . 4.500 3.233 2.950 3.919 . 0 0 "[ . 1 . 2]" 1 840 1 4 GLY H 1 41 GLN HA 4.000 . 4.500 3.624 3.494 3.810 . 0 0 "[ . 1 . 2]" 1 841 1 41 GLN HB3 1 48 VAL H 4.000 . 4.500 3.906 3.636 4.576 0.076 14 0 "[ . 1 . 2]" 1 842 1 41 GLN HB2 1 48 VAL H 5.500 . 6.000 5.178 3.998 5.413 . 0 0 "[ . 1 . 2]" 1 843 1 12 GLU HB3 1 119 ILE H 4.000 . 4.500 3.907 3.409 4.862 0.362 16 0 "[ . 1 . 2]" 1 844 1 12 GLU HB2 1 119 ILE H 5.500 . 6.000 5.012 3.387 5.490 . 0 0 "[ . 1 . 2]" 1 845 1 12 GLU HB3 1 119 ILE HB 4.000 . 4.500 3.322 2.971 4.672 0.172 16 0 "[ . 1 . 2]" 1 846 1 12 GLU HB2 1 119 ILE HB 4.000 . 4.500 4.120 2.680 4.621 0.121 5 0 "[ . 1 . 2]" 1 847 1 20 ALA MB 1 116 VAL HB 4.000 . 4.500 2.999 2.688 3.184 . 0 0 "[ . 1 . 2]" 1 848 1 17 PHE HA 1 116 VAL HB 4.000 . 4.500 3.021 2.471 3.879 . 0 0 "[ . 1 . 2]" 1 849 1 17 PHE QD 1 116 VAL HB 4.000 . 4.500 3.310 2.583 4.038 . 0 0 "[ . 1 . 2]" 1 850 1 113 PHE H 1 116 VAL HB 4.000 . 4.500 3.272 3.200 3.363 . 0 0 "[ . 1 . 2]" 1 851 1 116 VAL HB 1 117 THR H 4.000 . 4.500 4.107 3.991 4.181 . 0 0 "[ . 1 . 2]" 1 852 1 34 ILE MG 1 54 PRO HG2 5.500 . 6.000 3.120 2.797 3.561 . 0 0 "[ . 1 . 2]" 1 853 1 13 ASN HA 1 16 GLU QB 4.000 . 4.500 2.773 2.544 3.081 . 0 0 "[ . 1 . 2]" 1 854 1 25 GLU QB 1 27 LEU H 5.500 . 6.000 4.581 4.381 4.928 . 0 0 "[ . 1 . 2]" 1 855 1 39 GLU HB3 1 50 THR H 4.000 . 4.500 3.174 2.478 3.591 . 0 0 "[ . 1 . 2]" 1 856 1 39 GLU HB2 1 50 THR H 5.500 . 6.000 4.335 4.031 4.661 . 0 0 "[ . 1 . 2]" 1 857 1 39 GLU HB3 1 50 THR MG 5.500 . 6.000 3.877 3.670 4.031 . 0 0 "[ . 1 . 2]" 1 858 1 39 GLU HB2 1 50 THR MG 5.500 . 6.000 4.227 3.963 4.494 . 0 0 "[ . 1 . 2]" 1 859 1 7 GLN QB 1 37 ILE QG 5.500 . 6.000 3.419 3.028 4.276 . 0 0 "[ . 1 . 2]" 1 860 1 39 GLU QG 1 40 ILE HA 4.000 . 4.500 4.303 4.057 4.473 . 0 0 "[ . 1 . 2]" 1 861 1 5 THR MG 1 39 GLU QG 5.500 . 6.000 2.796 1.814 3.501 . 0 0 "[ . 1 . 2]" 1 862 1 90 VAL HA 1 99 GLU HA 2.800 . 3.300 2.181 2.048 2.353 . 0 0 "[ . 1 . 2]" 1 863 1 89 LEU HA 1 90 VAL HA 5.500 . 6.000 4.523 4.494 4.557 . 0 0 "[ . 1 . 2]" 1 864 1 70 ILE MG 1 72 THR HA 5.500 . 6.000 4.007 3.904 4.117 . 0 0 "[ . 1 . 2]" 1 865 1 27 LEU MD1 1 31 ALA MB 5.500 . 6.000 2.680 2.474 2.943 . 0 0 "[ . 1 . 2]" 1 866 1 31 ALA MB 1 34 ILE MD 5.500 . 6.000 2.666 2.450 2.903 . 0 0 "[ . 1 . 2]" 1 867 1 34 ILE HB 1 36 PRO HD3 4.000 . 4.500 3.624 3.505 3.776 . 0 0 "[ . 1 . 2]" 1 868 1 35 LYS HG3 1 36 PRO HD3 4.000 . 4.500 4.631 4.562 4.727 0.227 14 0 "[ . 1 . 2]" 1 869 1 8 VAL MG2 1 36 PRO HB2 4.000 . 4.500 4.399 3.981 4.833 0.333 20 0 "[ . 1 . 2]" 1 870 1 34 ILE MG 1 36 PRO HB3 5.500 . 6.000 2.953 2.800 3.232 . 0 0 "[ . 1 . 2]" 1 871 1 53 THR HB 1 73 MET ME 5.500 . 6.000 4.719 4.091 5.460 . 0 0 "[ . 1 . 2]" 1 872 1 58 VAL HB 1 73 MET ME 5.500 . 6.000 4.533 3.889 5.761 . 0 0 "[ . 1 . 2]" 1 873 1 58 VAL MG2 1 73 MET ME 4.000 . 4.500 4.241 3.274 4.620 0.120 11 0 "[ . 1 . 2]" 1 874 1 10 ALA MB 1 11 GLN HA 5.500 . 6.000 4.016 3.887 4.088 . 0 0 "[ . 1 . 2]" 1 875 1 14 TYR QE 1 118 LEU QD 4.000 . 4.500 3.080 1.597 4.025 0.203 17 0 "[ . 1 . 2]" 1 876 1 9 TYR QE 1 121 ARG QD 4.000 . 4.500 3.690 2.968 5.277 0.777 15 4 "[ . 1 +** -2]" 1 877 1 17 PHE QE 1 111 ILE MG 4.000 . 4.500 2.476 2.118 2.777 . 0 0 "[ . 1 . 2]" 1 878 1 17 PHE QE 1 112 THR HA 5.500 . 6.000 2.949 2.418 3.533 . 0 0 "[ . 1 . 2]" 1 879 1 47 PHE QD 1 49 VAL QG 4.000 . 4.500 3.531 3.106 4.586 0.086 6 0 "[ . 1 . 2]" 1 880 1 47 PHE HZ 1 89 LEU MD2 5.500 . 6.000 6.358 6.188 6.550 0.550 1 1 "[+ . 1 . 2]" 1 881 1 47 PHE HZ 1 89 LEU MD1 5.500 . 6.000 3.819 3.599 4.334 . 0 0 "[ . 1 . 2]" 1 882 1 62 PHE QD 1 64 LEU HA 5.500 . 6.000 3.889 3.746 4.100 . 0 0 "[ . 1 . 2]" 1 883 1 62 PHE QE 1 64 LEU QD 5.500 . 6.000 2.973 2.608 3.485 . 0 0 "[ . 1 . 2]" 1 884 1 70 ILE HB 1 78 LEU MD2 4.000 . 4.500 3.934 3.686 4.212 . 0 0 "[ . 1 . 2]" 1 885 1 78 LEU MD2 1 79 LYS H 4.000 . 4.500 4.889 4.819 4.983 0.483 2 0 "[ . 1 . 2]" 1 886 1 12 GLU H 1 118 LEU QD 5.500 . 6.000 3.174 2.391 3.624 . 0 0 "[ . 1 . 2]" 1 887 1 6 TRP HA 1 122 SER QB 5.500 . 6.000 3.505 3.263 4.060 . 0 0 "[ . 1 . 2]" 1 888 1 8 VAL HA 1 122 SER HA 5.500 . 6.000 2.325 2.063 2.557 . 0 0 "[ . 1 . 2]" 1 889 1 8 VAL HA 1 9 TYR H 5.500 . 6.000 2.222 2.210 2.279 . 0 0 "[ . 1 . 2]" 1 890 1 111 ILE HB 1 118 LEU QD 5.500 . 6.000 3.309 3.001 3.584 . 0 0 "[ . 1 . 2]" 1 891 1 47 PHE QE 1 84 LEU MD1 5.500 . 6.000 2.547 1.818 3.147 . 0 0 "[ . 1 . 2]" 1 892 1 2 PHE QD 1 40 ILE MD 5.500 . 6.000 3.293 2.494 5.037 . 0 0 "[ . 1 . 2]" 1 893 1 8 VAL MG1 1 120 ARG HG3 5.500 . 6.000 3.262 1.861 4.716 . 0 0 "[ . 1 . 2]" 1 894 1 8 VAL MG2 1 120 ARG HG2 5.500 . 6.000 3.561 1.954 5.080 . 0 0 "[ . 1 . 2]" 1 895 1 8 VAL MG1 1 11 GLN HB3 4.000 . 4.500 3.796 2.830 5.024 0.524 16 1 "[ . 1 .+ 2]" 1 896 1 8 VAL MG2 1 36 PRO QB 5.500 . 6.000 4.187 3.746 4.605 . 0 0 "[ . 1 . 2]" 1 897 1 8 VAL MG1 1 36 PRO HD3 5.500 . 6.000 4.764 4.373 5.237 . 0 0 "[ . 1 . 2]" 1 898 1 8 VAL MG1 1 36 PRO HD2 5.500 . 6.000 3.368 3.030 3.812 . 0 0 "[ . 1 . 2]" 1 899 1 8 VAL MG2 1 36 PRO HD3 5.500 . 6.000 4.552 3.506 5.176 . 0 0 "[ . 1 . 2]" 1 900 1 11 GLN HA 1 120 ARG HA 4.000 . 4.500 2.721 2.515 3.056 . 0 0 "[ . 1 . 2]" 1 901 1 108 VAL HA 1 109 GLU QG 4.000 . 4.500 4.006 3.749 4.292 . 0 0 "[ . 1 . 2]" 1 902 1 107 MET QB 1 109 GLU QG 4.000 . 4.500 4.058 3.565 4.629 0.129 13 0 "[ . 1 . 2]" 1 903 1 62 PHE HZ 1 89 LEU MD2 5.500 . 6.000 3.390 2.514 3.951 . 0 0 "[ . 1 . 2]" 1 904 1 83 HIS H 1 89 LEU MD1 5.500 . 6.000 4.581 3.935 5.147 . 0 0 "[ . 1 . 2]" 1 905 1 84 LEU HA 1 89 LEU MD1 5.500 . 6.000 4.806 4.382 5.070 . 0 0 "[ . 1 . 2]" 1 906 1 21 LEU QD 1 23 LEU MD1 5.500 . 6.000 2.079 1.840 2.932 . 0 0 "[ . 1 . 2]" 1 907 1 21 LEU HG 1 23 LEU MD1 5.500 . 6.000 4.027 2.239 5.138 . 0 0 "[ . 1 . 2]" 1 908 1 23 LEU MD1 1 24 PRO HD2 5.500 . 6.000 3.487 2.691 3.929 . 0 0 "[ . 1 . 2]" 1 909 1 23 LEU MD2 1 74 ASP QB 5.500 . 6.000 2.334 1.907 2.954 . 0 0 "[ . 1 . 2]" 1 910 1 47 PHE HZ 1 84 LEU MD2 4.000 . 4.500 3.128 2.508 3.666 . 0 0 "[ . 1 . 2]" 1 911 1 45 ASP QB 1 64 LEU QD 5.500 . 6.000 3.846 3.470 4.052 . 0 0 "[ . 1 . 2]" 1 912 1 58 VAL MG2 1 73 MET HA 2.800 . 3.300 2.159 1.844 2.590 . 0 0 "[ . 1 . 2]" 1 913 1 45 ASP HA 1 64 LEU H 5.500 . 6.000 4.316 4.020 4.446 . 0 0 "[ . 1 . 2]" 1 914 1 2 PHE HA 1 6 TRP HZ2 4.000 . 4.500 3.311 2.851 3.679 . 0 0 "[ . 1 . 2]" 1 915 1 2 PHE HB3 1 6 TRP HZ2 5.500 . 6.000 5.657 5.328 6.072 0.072 12 0 "[ . 1 . 2]" 1 916 1 5 THR HA 1 6 TRP HD1 4.000 . 4.500 3.739 3.161 4.039 . 0 0 "[ . 1 . 2]" 1 917 1 6 TRP HA 1 6 TRP HE3 4.000 . 4.500 2.756 2.497 3.222 . 0 0 "[ . 1 . 2]" 1 918 1 6 TRP HB3 1 6 TRP HE3 4.000 . 4.500 2.773 2.621 2.878 . 0 0 "[ . 1 . 2]" 1 919 1 6 TRP H 1 6 TRP HD1 2.800 . 3.300 3.077 2.810 3.375 0.075 15 0 "[ . 1 . 2]" 1 920 1 6 TRP HE3 1 7 GLN H 5.500 . 6.000 3.671 3.432 3.968 . 0 0 "[ . 1 . 2]" 1 921 1 8 VAL HA 1 9 TYR QE 5.500 . 6.000 5.111 4.637 6.588 0.588 16 3 "[ . 1 -+ *2]" 1 922 1 9 TYR H 1 9 TYR QE 5.500 . 6.000 4.230 3.731 5.542 . 0 0 "[ . 1 . 2]" 1 923 1 9 TYR QD 1 10 ALA MB 4.000 . 4.500 2.532 1.820 4.197 . 0 0 "[ . 1 . 2]" 1 924 1 11 GLN HB2 1 14 TYR QD 4.000 . 4.500 3.110 2.336 4.019 . 0 0 "[ . 1 . 2]" 1 925 1 14 TYR H 1 14 TYR QD 4.000 . 4.500 4.022 3.419 4.139 . 0 0 "[ . 1 . 2]" 1 926 1 17 PHE QD 1 18 LEU QD 5.500 . 6.000 2.822 1.652 3.889 0.148 9 0 "[ . 1 . 2]" 1 927 1 17 PHE QD 1 18 LEU HG 4.000 . 4.500 3.044 2.056 4.677 0.177 5 0 "[ . 1 . 2]" 1 928 1 17 PHE HZ 1 21 LEU QD 5.500 . 6.000 3.132 2.925 3.502 . 0 0 "[ . 1 . 2]" 1 929 1 14 TYR QE 1 31 ALA MB 4.000 . 4.500 3.753 2.996 4.606 0.106 3 0 "[ . 1 . 2]" 1 930 1 14 TYR QD 1 32 ARG HA 4.000 . 4.500 3.213 2.291 3.810 . 0 0 "[ . 1 . 2]" 1 931 1 14 TYR QE 1 32 ARG HA 2.800 . 3.300 2.816 2.059 4.331 1.031 17 2 "[ - . 1 . + 2]" 1 932 1 14 TYR QD 1 32 ARG HB2 5.500 . 6.000 4.517 4.011 4.999 . 0 0 "[ . 1 . 2]" 1 933 1 14 TYR QE 1 34 ILE HB 5.500 . 6.000 5.003 4.432 5.458 . 0 0 "[ . 1 . 2]" 1 934 1 6 TRP HD1 1 39 GLU HA 4.000 . 4.500 3.983 3.423 4.428 . 0 0 "[ . 1 . 2]" 1 935 1 6 TRP HD1 1 40 ILE HB 4.000 . 4.500 3.462 3.076 3.670 . 0 0 "[ . 1 . 2]" 1 936 1 6 TRP HD1 1 40 ILE MD 4.000 . 4.500 2.344 1.975 4.045 . 0 0 "[ . 1 . 2]" 1 937 1 6 TRP HD1 1 40 ILE HG13 4.000 . 4.500 2.563 2.321 2.995 . 0 0 "[ . 1 . 2]" 1 938 1 2 PHE HB3 1 47 PHE QE 5.500 . 6.000 3.228 2.368 4.711 . 0 0 "[ . 1 . 2]" 1 939 1 2 PHE HB2 1 47 PHE QE 5.500 . 6.000 3.199 2.825 4.006 . 0 0 "[ . 1 . 2]" 1 940 1 40 ILE MG 1 47 PHE QE 5.500 . 6.000 3.410 2.811 4.806 . 0 0 "[ . 1 . 2]" 1 941 1 42 GLN HA 1 47 PHE QD 5.500 . 6.000 3.727 2.786 4.053 . 0 0 "[ . 1 . 2]" 1 942 1 42 GLN HB2 1 47 PHE QE 5.500 . 6.000 2.939 1.526 3.538 0.274 8 0 "[ . 1 . 2]" 1 943 1 46 ASP HA 1 47 PHE QD 5.500 . 6.000 3.582 2.518 4.918 . 0 0 "[ . 1 . 2]" 1 944 1 47 PHE H 1 47 PHE QD 4.000 . 4.500 3.275 2.351 4.051 . 0 0 "[ . 1 . 2]" 1 945 1 47 PHE QD 1 48 VAL H 5.500 . 6.000 3.882 2.647 4.332 . 0 0 "[ . 1 . 2]" 1 946 1 47 PHE QB 1 62 PHE QE 4.000 . 4.500 2.322 2.063 2.859 . 0 0 "[ . 1 . 2]" 1 947 1 47 PHE QE 1 62 PHE QE 5.500 . 6.000 4.972 4.258 5.321 . 0 0 "[ . 1 . 2]" 1 948 1 47 PHE QB 1 62 PHE HZ 5.500 . 6.000 2.531 2.370 2.700 . 0 0 "[ . 1 . 2]" 1 949 1 49 VAL QG 1 62 PHE QE 4.000 . 4.500 2.022 1.934 2.140 . 0 0 "[ . 1 . 2]" 1 950 1 49 VAL QG 1 62 PHE HZ 5.500 . 6.000 2.630 2.065 3.940 . 0 0 "[ . 1 . 2]" 1 951 1 61 SER HA 1 62 PHE QD 4.000 . 4.500 3.352 3.163 3.598 . 0 0 "[ . 1 . 2]" 1 952 1 47 PHE QD 1 63 THR HA 5.500 . 6.000 4.475 3.241 5.193 . 0 0 "[ . 1 . 2]" 1 953 1 47 PHE QE 1 64 LEU HG 4.000 . 4.500 4.353 3.787 4.626 0.126 4 0 "[ . 1 . 2]" 1 954 1 47 PHE QE 1 64 LEU H 5.500 . 6.000 5.383 3.394 6.057 0.057 8 0 "[ . 1 . 2]" 1 955 1 62 PHE QE 1 70 ILE MD 5.500 . 6.000 3.481 3.059 4.004 . 0 0 "[ . 1 . 2]" 1 956 1 62 PHE QE 1 82 VAL HB 4.000 . 4.500 2.513 2.151 2.909 . 0 0 "[ . 1 . 2]" 1 957 1 62 PHE QE 1 82 VAL MG1 5.500 . 6.000 2.031 1.810 2.355 . 0 0 "[ . 1 . 2]" 1 958 1 62 PHE HZ 1 82 VAL MG1 5.500 . 6.000 2.805 2.201 3.436 . 0 0 "[ . 1 . 2]" 1 959 1 81 THR HB 1 83 HIS HE1 5.500 . 6.000 5.468 3.764 6.204 0.204 14 0 "[ . 1 . 2]" 1 960 1 82 VAL HA 1 83 HIS HE1 5.500 . 6.000 5.663 4.750 7.272 1.272 11 6 "[ .- 1+* .** *2]" 1 961 1 83 HIS HB3 1 83 HIS HD2 4.000 . 4.500 3.631 2.795 4.000 . 0 0 "[ . 1 . 2]" 1 962 1 83 HIS HB2 1 83 HIS HD2 4.000 . 4.500 3.258 2.863 3.910 . 0 0 "[ . 1 . 2]" 1 963 1 83 HIS H 1 83 HIS HD2 5.500 . 6.000 4.440 3.512 5.780 . 0 0 "[ . 1 . 2]" 1 964 1 2 PHE QE 1 84 LEU MD1 5.500 . 6.000 4.972 4.212 5.747 . 0 0 "[ . 1 . 2]" 1 965 1 2 PHE QE 1 84 LEU MD2 5.500 . 6.000 3.808 3.282 4.550 . 0 0 "[ . 1 . 2]" 1 966 1 83 HIS HD2 1 85 ALA HA 4.000 . 4.500 4.685 4.342 5.382 0.882 6 6 "[ .+ 1** .*- *2]" 1 967 1 83 HIS HD2 1 85 ALA MB 5.500 . 6.000 2.994 2.166 4.436 . 0 0 "[ . 1 . 2]" 1 968 1 2 PHE QE 1 88 LYS HA 4.000 . 4.500 3.347 2.747 3.872 . 0 0 "[ . 1 . 2]" 1 969 1 2 PHE HZ 1 88 LYS HA 2.800 . 3.300 2.312 2.021 3.509 0.209 12 0 "[ . 1 . 2]" 1 970 1 2 PHE HZ 1 89 LEU HB2 4.000 . 4.500 4.598 3.031 4.850 0.350 19 0 "[ . 1 . 2]" 1 971 1 2 PHE HZ 1 89 LEU HB3 5.500 . 6.000 5.107 2.630 5.563 . 0 0 "[ . 1 . 2]" 1 972 1 2 PHE QD 1 89 LEU MD2 5.500 . 6.000 5.584 4.370 5.998 . 0 0 "[ . 1 . 2]" 1 973 1 2 PHE HZ 1 89 LEU H 5.500 . 6.000 3.086 2.249 3.391 . 0 0 "[ . 1 . 2]" 1 974 1 62 PHE QE 1 89 LEU MD1 4.000 . 4.500 2.611 2.117 2.856 . 0 0 "[ . 1 . 2]" 1 975 1 62 PHE QD 1 89 LEU MD2 5.500 . 6.000 5.185 4.698 5.475 . 0 0 "[ . 1 . 2]" 1 976 1 62 PHE QE 1 89 LEU MD2 5.500 . 6.000 3.683 3.275 3.985 . 0 0 "[ . 1 . 2]" 1 977 1 83 HIS HD2 1 90 VAL MG2 5.500 . 6.000 4.552 3.700 6.558 0.558 17 3 "[ . 1- .*+ 2]" 1 978 1 95 LYS HB2 1 96 PHE HD2 4.000 . 4.500 3.904 3.596 4.419 . 0 0 "[ . 1 . 2]" 1 979 1 96 PHE HA 1 96 PHE QD 4.000 . 4.500 3.500 3.462 3.527 . 0 0 "[ . 1 . 2]" 1 980 1 96 PHE HB2 1 96 PHE QD 2.800 . 3.300 2.681 2.654 2.725 . 0 0 "[ . 1 . 2]" 1 981 1 96 PHE HB3 1 96 PHE QD 2.800 . 3.300 2.304 2.301 2.316 . 0 0 "[ . 1 . 2]" 1 982 1 96 PHE HD1 1 97 SER HA 4.000 . 4.500 2.729 2.665 2.850 . 0 0 "[ . 1 . 2]" 1 983 1 96 PHE HD1 1 97 SER H 4.000 . 4.500 3.119 2.954 3.363 . 0 0 "[ . 1 . 2]" 1 984 1 96 PHE HD1 1 98 HIS H 5.500 . 6.000 4.209 4.009 4.570 . 0 0 "[ . 1 . 2]" 1 985 1 98 HIS HA 1 98 HIS HD2 4.000 . 4.500 3.617 3.497 3.787 . 0 0 "[ . 1 . 2]" 1 986 1 98 HIS HB3 1 98 HIS HD2 4.000 . 4.500 3.851 3.792 3.888 . 0 0 "[ . 1 . 2]" 1 987 1 98 HIS HB2 1 98 HIS HD2 4.000 . 4.500 2.792 2.771 2.811 . 0 0 "[ . 1 . 2]" 1 988 1 2 PHE QD 1 100 GLN QB 5.500 . 6.000 4.403 4.083 5.205 . 0 0 "[ . 1 . 2]" 1 989 1 2 PHE QE 1 100 GLN QB 5.500 . 6.000 3.615 2.983 3.984 . 0 0 "[ . 1 . 2]" 1 990 1 98 HIS HD2 1 100 GLN QB 5.500 . 6.000 5.839 5.787 5.915 . 0 0 "[ . 1 . 2]" 1 991 1 98 HIS HE1 1 100 GLN H 5.500 . 6.000 4.137 3.895 4.300 . 0 0 "[ . 1 . 2]" 1 992 1 2 PHE QD 1 102 VAL HB 4.000 . 4.500 3.595 2.789 4.407 . 0 0 "[ . 1 . 2]" 1 993 1 2 PHE QE 1 102 VAL HB 4.000 . 4.500 3.806 3.079 4.342 . 0 0 "[ . 1 . 2]" 1 994 1 6 TRP HZ2 1 102 VAL HB 5.500 . 6.000 3.953 3.613 4.774 . 0 0 "[ . 1 . 2]" 1 995 1 6 TRP HH2 1 102 VAL MG2 4.000 . 4.500 2.200 1.896 3.672 . 0 0 "[ . 1 . 2]" 1 996 1 6 TRP HZ2 1 102 VAL MG2 4.000 . 4.500 2.272 1.929 2.914 . 0 0 "[ . 1 . 2]" 1 997 1 6 TRP HH2 1 103 LYS H 5.500 . 6.000 4.675 4.284 5.041 . 0 0 "[ . 1 . 2]" 1 998 1 6 TRP HH2 1 105 ASN HA 5.500 . 6.000 3.194 2.933 3.643 . 0 0 "[ . 1 . 2]" 1 999 1 6 TRP HZ3 1 105 ASN HA 5.500 . 6.000 3.670 3.227 4.132 . 0 0 "[ . 1 . 2]" 1 1000 1 6 TRP HE3 1 106 GLU HA 5.500 . 6.000 3.893 3.715 4.030 . 0 0 "[ . 1 . 2]" 1 1001 1 6 TRP HZ3 1 106 GLU HA 4.000 . 4.500 2.580 2.095 2.973 . 0 0 "[ . 1 . 2]" 1 1002 1 6 TRP HZ3 1 106 GLU HB3 5.500 . 6.000 4.871 4.478 5.210 . 0 0 "[ . 1 . 2]" 1 1003 1 6 TRP HH2 1 106 GLU H 5.500 . 6.000 4.078 3.557 4.697 . 0 0 "[ . 1 . 2]" 1 1004 1 9 TYR QE 1 106 GLU HG2 4.000 . 4.500 4.001 2.800 4.533 0.033 14 0 "[ . 1 . 2]" 1 1005 1 2 PHE QD 1 107 MET ME 5.500 . 6.000 2.244 1.859 3.091 . 0 0 "[ . 1 . 2]" 1 1006 1 6 TRP HE3 1 107 MET HB3 4.000 . 4.500 3.421 2.573 4.145 . 0 0 "[ . 1 . 2]" 1 1007 1 6 TRP HZ3 1 107 MET HB2 4.000 . 4.500 3.264 2.877 3.670 . 0 0 "[ . 1 . 2]" 1 1008 1 6 TRP HE3 1 107 MET HG2 4.000 . 4.500 4.646 4.386 4.871 0.371 17 0 "[ . 1 . 2]" 1 1009 1 98 HIS HE1 1 109 GLU HA 5.500 . 6.000 4.681 4.442 4.878 . 0 0 "[ . 1 . 2]" 1 1010 1 98 HIS HE1 1 109 GLU HB2 5.500 . 6.000 5.669 5.278 5.847 . 0 0 "[ . 1 . 2]" 1 1011 1 98 HIS HE1 1 109 GLU HG2 2.800 . 3.300 3.287 2.919 3.522 0.222 12 0 "[ . 1 . 2]" 1 1012 1 98 HIS HE1 1 100 GLN QB 2.800 . 3.300 2.271 2.060 2.464 . 0 0 "[ . 1 . 2]" 1 1013 1 17 PHE HZ 1 111 ILE HB 4.000 . 4.500 3.054 2.796 3.450 . 0 0 "[ . 1 . 2]" 1 1014 1 17 PHE HZ 1 111 ILE MG 4.000 . 4.500 1.828 1.721 1.945 0.079 9 0 "[ . 1 . 2]" 1 1015 1 98 HIS HE1 1 111 ILE HG12 5.500 . 6.000 4.616 4.210 4.929 . 0 0 "[ . 1 . 2]" 1 1016 1 17 PHE HZ 1 112 THR HA 5.500 . 6.000 5.099 4.516 5.405 . 0 0 "[ . 1 . 2]" 1 1017 1 17 PHE HZ 1 113 PHE HB3 4.000 . 4.500 3.663 3.385 3.915 . 0 0 "[ . 1 . 2]" 1 1018 1 17 PHE HZ 1 113 PHE HB2 4.000 . 4.500 3.009 2.600 3.297 . 0 0 "[ . 1 . 2]" 1 1019 1 17 PHE QD 1 113 PHE H 5.500 . 6.000 3.528 2.894 4.450 . 0 0 "[ . 1 . 2]" 1 1020 1 17 PHE HZ 1 113 PHE H 5.500 . 6.000 5.012 4.446 5.321 . 0 0 "[ . 1 . 2]" 1 1021 1 20 ALA MB 1 113 PHE HE1 5.500 . 6.000 3.475 3.288 3.748 . 0 0 "[ . 1 . 2]" 1 1022 1 21 LEU HA 1 113 PHE QD 4.000 . 4.500 3.457 3.235 3.649 . 0 0 "[ . 1 . 2]" 1 1023 1 21 LEU QD 1 113 PHE QD 5.500 . 6.000 2.618 2.287 2.776 . 0 0 "[ . 1 . 2]" 1 1024 1 21 LEU QD 1 113 PHE QE 5.500 . 6.000 2.934 2.260 3.243 . 0 0 "[ . 1 . 2]" 1 1025 1 95 LYS HB2 1 113 PHE HD2 5.500 . 6.000 5.771 5.387 6.443 0.443 1 0 "[ . 1 . 2]" 1 1026 1 95 LYS HB2 1 113 PHE HE2 4.000 . 4.500 4.026 3.648 4.798 0.298 1 0 "[ . 1 . 2]" 1 1027 1 96 PHE HA 1 113 PHE HD2 5.500 . 6.000 2.906 2.421 3.698 . 0 0 "[ . 1 . 2]" 1 1028 1 96 PHE HB3 1 113 PHE HD2 4.000 . 4.500 2.205 2.040 2.823 . 0 0 "[ . 1 . 2]" 1 1029 1 96 PHE HB3 1 113 PHE HE2 5.500 . 6.000 1.979 1.739 2.514 0.061 9 0 "[ . 1 . 2]" 1 1030 1 113 PHE HA 1 113 PHE QD 4.000 . 4.500 3.076 2.899 3.114 . 0 0 "[ . 1 . 2]" 1 1031 1 113 PHE HB2 1 113 PHE QE 4.000 . 4.500 4.423 4.418 4.446 . 0 0 "[ . 1 . 2]" 1 1032 1 113 PHE HA 1 113 PHE QE 4.000 . 4.500 4.593 4.519 4.634 0.134 6 0 "[ . 1 . 2]" 1 1033 1 14 TYR QD 1 118 LEU QD 4.000 . 4.500 2.228 1.657 3.222 0.143 17 0 "[ . 1 . 2]" 1 1034 1 17 PHE QD 1 118 LEU HB3 4.000 . 4.500 3.360 3.002 3.797 . 0 0 "[ . 1 . 2]" 1 1035 1 17 PHE QD 1 118 LEU HB2 4.000 . 4.500 2.584 1.996 3.122 . 0 0 "[ . 1 . 2]" 1 1036 1 6 TRP HE3 1 122 SER HB2 4.000 . 4.500 3.557 2.929 4.635 0.135 17 0 "[ . 1 . 2]" 1 1037 1 9 TYR QE 1 122 SER HA 4.000 . 4.500 3.261 2.877 4.648 0.148 19 0 "[ . 1 . 2]" 1 1038 1 6 TRP HZ3 1 123 LYS HA 4.000 . 4.500 3.100 2.614 3.597 . 0 0 "[ . 1 . 2]" 1 1039 1 6 TRP HZ3 1 123 LYS HB2 6.000 . 6.500 5.675 5.104 6.199 . 0 0 "[ . 1 . 2]" 1 1040 1 9 TYR QE 1 123 LYS HD2 4.000 . 4.500 3.835 2.118 4.592 0.092 14 0 "[ . 1 . 2]" 1 1041 1 9 TYR QD 1 123 LYS H 4.000 . 4.500 2.747 2.485 3.403 . 0 0 "[ . 1 . 2]" 1 1042 1 9 TYR QE 1 123 LYS H 5.500 . 6.000 3.362 2.957 3.810 . 0 0 "[ . 1 . 2]" 1 1043 1 6 TRP HE3 1 124 ARG HA 4.000 . 4.500 3.260 3.148 3.495 . 0 0 "[ . 1 . 2]" 1 1044 1 6 TRP HH2 1 124 ARG HB3 5.500 . 6.000 4.562 4.260 4.896 . 0 0 "[ . 1 . 2]" 1 1045 1 6 TRP HZ3 1 124 ARG HB3 5.500 . 6.000 3.882 3.644 4.426 . 0 0 "[ . 1 . 2]" 1 1046 1 6 TRP HH2 1 124 ARG HB2 4.000 . 4.500 3.118 2.809 3.474 . 0 0 "[ . 1 . 2]" 1 1047 1 6 TRP HZ3 1 124 ARG HB2 5.500 . 6.000 2.635 2.344 2.874 . 0 0 "[ . 1 . 2]" 1 1048 1 6 TRP HZ3 1 124 ARG HG2 5.500 . 6.000 5.623 5.368 5.810 . 0 0 "[ . 1 . 2]" 1 1049 1 6 TRP HE3 1 124 ARG H 4.000 . 4.500 3.320 3.166 3.536 . 0 0 "[ . 1 . 2]" 1 1050 1 96 PHE QB 1 98 HIS HD2 5.500 . 6.000 6.442 6.369 6.571 0.571 8 2 "[ -. + 1 . 2]" 1 1051 1 98 HIS HD2 1 111 ILE HG13 5.500 . 6.000 4.023 3.695 4.571 . 0 0 "[ . 1 . 2]" 1 1052 1 98 HIS HD2 1 111 ILE HG12 4.000 . 4.500 2.713 2.382 3.288 . 0 0 "[ . 1 . 2]" 1 1053 1 98 HIS HD2 1 111 ILE MG 4.000 . 4.500 3.007 2.804 3.170 . 0 0 "[ . 1 . 2]" 1 1054 1 2 PHE QB 1 3 SER H 4.000 . 4.500 2.671 2.246 2.764 . 0 0 "[ . 1 . 2]" 1 1055 1 3 SER HA 1 4 GLY H 2.800 . 3.300 2.285 2.270 2.303 . 0 0 "[ . 1 . 2]" 1 1056 1 3 SER QB 1 4 GLY H 2.800 . 3.300 3.084 2.925 3.774 0.474 7 0 "[ . 1 . 2]" 1 1057 1 3 SER H 1 4 GLY H 4.000 . 4.500 4.661 4.278 4.688 0.188 17 0 "[ . 1 . 2]" 1 1058 1 4 GLY HA3 1 5 THR H 2.800 . 3.300 2.605 2.419 2.805 . 0 0 "[ . 1 . 2]" 1 1059 1 4 GLY H 1 5 THR H 4.000 . 4.500 4.438 4.345 4.483 . 0 0 "[ . 1 . 2]" 1 1060 1 5 THR HA 1 6 TRP H 2.800 . 3.300 2.243 2.215 2.354 . 0 0 "[ . 1 . 2]" 1 1061 1 5 THR MG 1 6 TRP H 4.000 . 4.500 2.976 2.016 4.028 . 0 0 "[ . 1 . 2]" 1 1062 1 5 THR H 1 6 TRP H 4.000 . 4.500 4.519 4.425 4.663 0.163 15 0 "[ . 1 . 2]" 1 1063 1 7 GLN HA 1 8 VAL H 2.800 . 3.300 2.220 2.210 2.289 . 0 0 "[ . 1 . 2]" 1 1064 1 8 VAL MG1 1 9 TYR H 4.000 . 4.500 2.796 2.431 4.081 . 0 0 "[ . 1 . 2]" 1 1065 1 9 TYR H 1 9 TYR QD 2.800 . 3.300 2.762 2.004 3.565 0.265 17 0 "[ . 1 . 2]" 1 1066 1 8 VAL MG1 1 10 ALA H 4.000 . 4.500 3.174 2.392 4.676 0.176 13 0 "[ . 1 . 2]" 1 1067 1 9 TYR H 1 10 ALA H 2.800 . 3.300 1.990 1.634 2.940 0.166 20 0 "[ . 1 . 2]" 1 1068 1 11 GLN H 1 12 GLU QB 5.500 . 6.000 4.939 4.723 5.515 . 0 0 "[ . 1 . 2]" 1 1069 1 11 GLN HA 1 12 GLU H 2.800 . 3.300 2.276 2.211 2.453 . 0 0 "[ . 1 . 2]" 1 1070 1 11 GLN QB 1 12 GLU H 2.800 . 3.300 3.287 2.542 3.738 0.438 19 0 "[ . 1 . 2]" 1 1071 1 11 GLN QB 1 14 TYR H 4.000 . 4.500 4.012 3.477 4.763 0.263 20 0 "[ . 1 . 2]" 1 1072 1 13 ASN HA 1 14 TYR H 4.000 . 4.500 3.102 2.915 3.358 . 0 0 "[ . 1 . 2]" 1 1073 1 13 ASN H 1 14 TYR H 2.800 . 3.300 2.770 2.648 2.907 . 0 0 "[ . 1 . 2]" 1 1074 1 14 TYR QB 1 15 GLU H 2.800 . 3.300 2.222 1.854 2.456 . 0 0 "[ . 1 . 2]" 1 1075 1 14 TYR QD 1 15 GLU H 4.000 . 4.500 3.424 2.530 4.215 . 0 0 "[ . 1 . 2]" 1 1076 1 14 TYR H 1 15 GLU H 2.800 . 3.300 2.950 2.738 3.477 0.177 17 0 "[ . 1 . 2]" 1 1077 1 16 GLU H 1 17 PHE QB 4.000 . 4.500 4.538 4.447 4.657 0.157 17 0 "[ . 1 . 2]" 1 1078 1 16 GLU QB 1 17 PHE H 2.800 . 3.300 2.267 2.153 2.486 . 0 0 "[ . 1 . 2]" 1 1079 1 16 GLU H 1 17 PHE H 2.800 . 3.300 3.018 2.834 3.166 . 0 0 "[ . 1 . 2]" 1 1080 1 15 GLU HA 1 18 LEU H 4.000 . 4.500 3.801 3.540 4.059 . 0 0 "[ . 1 . 2]" 1 1081 1 15 GLU H 1 18 LEU H 4.000 . 4.500 4.964 4.767 5.225 0.725 16 6 "[ . * 1 * *+ * -]" 1 1082 1 16 GLU H 1 18 LEU H 4.000 . 4.500 4.528 4.261 4.888 0.388 15 0 "[ . 1 . 2]" 1 1083 1 17 PHE QB 1 18 LEU H 2.800 . 3.300 2.225 1.974 2.449 . 0 0 "[ . 1 . 2]" 1 1084 1 17 PHE QD 1 18 LEU H 4.000 . 4.500 2.904 2.285 3.715 . 0 0 "[ . 1 . 2]" 1 1085 1 16 GLU H 1 19 LYS QG 5.500 . 6.000 5.209 4.486 6.440 0.440 8 0 "[ . 1 . 2]" 1 1086 1 16 GLU H 1 19 LYS H 4.000 . 4.500 4.724 4.560 4.971 0.471 16 0 "[ . 1 . 2]" 1 1087 1 18 LEU H 1 19 LYS H 2.800 . 3.300 2.845 2.754 2.996 . 0 0 "[ . 1 . 2]" 1 1088 1 17 PHE HA 1 20 ALA H 2.800 . 3.300 3.679 3.477 3.910 0.610 18 3 "[ .* 1- . + 2]" 1 1089 1 18 LEU H 1 20 ALA H 4.000 . 4.500 4.318 4.150 4.409 . 0 0 "[ . 1 . 2]" 1 1090 1 19 LYS HA 1 21 LEU H 4.000 . 4.500 4.309 4.073 4.639 0.139 20 0 "[ . 1 . 2]" 1 1091 1 19 LYS H 1 21 LEU H 4.000 . 4.500 4.188 4.118 4.344 . 0 0 "[ . 1 . 2]" 1 1092 1 20 ALA H 1 21 LEU H 2.800 . 3.300 2.585 2.538 2.630 . 0 0 "[ . 1 . 2]" 1 1093 1 21 LEU HA 1 22 ALA H 2.800 . 3.300 3.482 3.457 3.509 0.209 13 0 "[ . 1 . 2]" 1 1094 1 21 LEU QB 1 22 ALA H 2.800 . 3.300 2.971 2.874 3.032 . 0 0 "[ . 1 . 2]" 1 1095 1 21 LEU H 1 22 ALA H 2.800 . 3.300 2.699 2.637 2.759 . 0 0 "[ . 1 . 2]" 1 1096 1 21 LEU HA 1 23 LEU H 4.000 . 4.500 4.781 4.605 5.160 0.660 10 1 "[ . + . 2]" 1 1097 1 22 ALA HA 1 23 LEU H 2.800 . 3.300 3.030 2.825 3.144 . 0 0 "[ . 1 . 2]" 1 1098 1 22 ALA H 1 23 LEU H 2.800 . 3.300 2.451 2.350 2.625 . 0 0 "[ . 1 . 2]" 1 1099 1 24 PRO HA 1 25 GLU H 2.800 . 3.300 2.250 2.229 2.272 . 0 0 "[ . 1 . 2]" 1 1100 1 24 PRO QB 1 25 GLU H 2.800 . 3.300 3.200 3.112 3.311 0.011 20 0 "[ . 1 . 2]" 1 1101 1 24 PRO QB 1 26 ASP H 2.800 . 3.300 2.913 2.562 3.132 . 0 0 "[ . 1 . 2]" 1 1102 1 25 GLU HA 1 26 ASP H 4.000 . 4.500 3.565 3.511 3.583 . 0 0 "[ . 1 . 2]" 1 1103 1 24 PRO QB 1 27 LEU H 4.000 . 4.500 2.773 2.685 2.878 . 0 0 "[ . 1 . 2]" 1 1104 1 25 GLU H 1 27 LEU QB 5.500 . 6.000 5.108 4.973 5.391 . 0 0 "[ . 1 . 2]" 1 1105 1 25 GLU H 1 27 LEU H 4.000 . 4.500 4.212 4.104 4.469 . 0 0 "[ . 1 . 2]" 1 1106 1 26 ASP H 1 27 LEU H 2.800 . 3.300 2.760 2.633 2.877 . 0 0 "[ . 1 . 2]" 1 1107 1 19 LYS H 1 28 ILE MD 4.000 . 4.500 4.364 3.877 4.608 0.108 11 0 "[ . 1 . 2]" 1 1108 1 22 ALA H 1 28 ILE MD 4.000 . 4.500 4.647 4.195 4.817 0.317 1 0 "[ . 1 . 2]" 1 1109 1 23 LEU H 1 28 ILE MD 4.000 . 4.500 3.402 2.762 4.022 . 0 0 "[ . 1 . 2]" 1 1110 1 25 GLU HA 1 28 ILE H 4.000 . 4.500 3.131 3.021 3.568 . 0 0 "[ . 1 . 2]" 1 1111 1 26 ASP H 1 28 ILE H 4.000 . 4.500 4.109 4.001 4.249 . 0 0 "[ . 1 . 2]" 1 1112 1 27 LEU QB 1 28 ILE H 2.800 . 3.300 2.770 2.378 2.964 . 0 0 "[ . 1 . 2]" 1 1113 1 27 LEU H 1 28 ILE H 2.800 . 3.300 2.342 2.257 2.533 . 0 0 "[ . 1 . 2]" 1 1114 1 26 ASP H 1 29 LYS QG 4.000 . 4.500 4.679 4.408 4.910 0.410 9 0 "[ . 1 . 2]" 1 1115 1 28 ILE HA 1 29 LYS H 4.000 . 4.500 3.578 3.566 3.592 . 0 0 "[ . 1 . 2]" 1 1116 1 28 ILE HB 1 29 LYS H 2.800 . 3.300 2.426 2.214 2.604 . 0 0 "[ . 1 . 2]" 1 1117 1 30 MET H 1 30 MET QG 4.000 . 4.500 3.298 2.463 4.009 . 0 0 "[ . 1 . 2]" 1 1118 1 28 ILE HB 1 30 MET H 4.000 . 4.500 4.699 4.526 4.827 0.327 4 0 "[ . 1 . 2]" 1 1119 1 29 LYS QG 1 30 MET H 4.000 . 4.500 3.625 2.038 4.063 . 0 0 "[ . 1 . 2]" 1 1120 1 29 LYS H 1 30 MET H 2.800 . 3.300 2.588 2.480 2.740 . 0 0 "[ . 1 . 2]" 1 1121 1 27 LEU MD1 1 31 ALA H 4.000 . 4.500 4.031 3.665 4.504 0.004 15 0 "[ . 1 . 2]" 1 1122 1 28 ILE HA 1 31 ALA H 4.000 . 4.500 3.441 3.196 3.594 . 0 0 "[ . 1 . 2]" 1 1123 1 30 MET QB 1 31 ALA H 2.800 . 3.300 2.832 2.639 3.130 . 0 0 "[ . 1 . 2]" 1 1124 1 30 MET H 1 31 ALA H 2.800 . 3.300 2.331 2.252 2.437 . 0 0 "[ . 1 . 2]" 1 1125 1 28 ILE HA 1 32 ARG H 4.000 . 4.500 4.263 3.844 4.638 0.138 10 0 "[ . 1 . 2]" 1 1126 1 29 LYS HA 1 32 ARG H 2.800 . 3.300 3.653 3.529 3.776 0.476 10 0 "[ . 1 . 2]" 1 1127 1 31 ALA H 1 32 ARG QG 4.000 . 4.500 4.118 3.578 4.655 0.155 18 0 "[ . 1 . 2]" 1 1128 1 31 ALA MB 1 32 ARG H 4.000 . 4.500 3.273 3.083 3.406 . 0 0 "[ . 1 . 2]" 1 1129 1 31 ALA H 1 32 ARG H 4.000 . 4.500 2.299 2.058 2.455 . 0 0 "[ . 1 . 2]" 1 1130 1 32 ARG HA 1 33 ASP H 4.000 . 4.500 3.348 3.286 3.418 . 0 0 "[ . 1 . 2]" 1 1131 1 32 ARG QG 1 33 ASP H 4.000 . 4.500 2.644 2.244 2.977 . 0 0 "[ . 1 . 2]" 1 1132 1 32 ARG H 1 33 ASP H 4.000 . 4.500 2.683 2.560 2.760 . 0 0 "[ . 1 . 2]" 1 1133 1 14 TYR QE 1 34 ILE H 4.000 . 4.500 4.225 3.344 4.817 0.317 19 0 "[ . 1 . 2]" 1 1134 1 31 ALA MB 1 34 ILE H 4.000 . 4.500 4.424 4.224 4.564 0.064 19 0 "[ . 1 . 2]" 1 1135 1 33 ASP H 1 34 ILE MD 5.500 . 6.000 4.153 3.988 4.371 . 0 0 "[ . 1 . 2]" 1 1136 1 33 ASP H 1 34 ILE H 2.800 . 3.300 2.636 2.408 2.938 . 0 0 "[ . 1 . 2]" 1 1137 1 34 ILE HA 1 35 LYS H 4.000 . 4.500 2.219 2.211 2.236 . 0 0 "[ . 1 . 2]" 1 1138 1 34 ILE MG 1 35 LYS H 5.500 . 6.000 3.001 2.835 3.201 . 0 0 "[ . 1 . 2]" 1 1139 1 6 TRP H 1 37 ILE MG 5.500 . 6.000 3.299 2.742 3.646 . 0 0 "[ . 1 . 2]" 1 1140 1 6 TRP H 1 38 VAL HB 4.000 . 4.500 3.953 3.651 4.970 0.470 4 0 "[ . 1 . 2]" 1 1141 1 38 VAL HA 1 39 GLU H 2.800 . 3.300 2.216 2.211 2.232 . 0 0 "[ . 1 . 2]" 1 1142 1 38 VAL MG1 1 39 GLU H 4.000 . 4.500 3.049 2.846 3.878 . 0 0 "[ . 1 . 2]" 1 1143 1 3 SER H 1 40 ILE MG 4.000 . 4.500 3.638 3.348 4.038 . 0 0 "[ . 1 . 2]" 1 1144 1 4 GLY H 1 40 ILE HB 2.800 . 3.300 2.925 2.680 3.131 . 0 0 "[ . 1 . 2]" 1 1145 1 4 GLY H 1 40 ILE QG 4.000 . 4.500 4.630 4.513 4.776 0.276 20 0 "[ . 1 . 2]" 1 1146 1 4 GLY H 1 40 ILE MG 4.000 . 4.500 3.847 3.649 4.017 . 0 0 "[ . 1 . 2]" 1 1147 1 4 GLY H 1 40 ILE H 2.800 . 3.300 3.065 2.927 3.226 . 0 0 "[ . 1 . 2]" 1 1148 1 5 THR HA 1 40 ILE H 2.800 . 3.300 3.295 3.154 3.414 0.114 19 0 "[ . 1 . 2]" 1 1149 1 39 GLU HA 1 40 ILE H 2.800 . 3.300 2.247 2.223 2.327 . 0 0 "[ . 1 . 2]" 1 1150 1 40 ILE HA 1 41 GLN H 2.800 . 3.300 2.222 2.211 2.246 . 0 0 "[ . 1 . 2]" 1 1151 1 40 ILE QG 1 41 GLN H 4.000 . 4.500 4.305 4.220 4.757 0.257 11 0 "[ . 1 . 2]" 1 1152 1 40 ILE H 1 41 GLN H 4.000 . 4.500 4.390 4.277 4.561 0.061 4 0 "[ . 1 . 2]" 1 1153 1 3 SER HA 1 42 GLN H 2.800 . 3.300 2.950 2.662 3.154 . 0 0 "[ . 1 . 2]" 1 1154 1 3 SER QB 1 42 GLN H 4.000 . 4.500 3.019 2.483 3.835 . 0 0 "[ . 1 . 2]" 1 1155 1 40 ILE MG 1 42 GLN H 4.000 . 4.500 2.707 2.512 2.901 . 0 0 "[ . 1 . 2]" 1 1156 1 41 GLN H 1 42 GLN H 4.000 . 4.500 3.368 3.187 3.614 . 0 0 "[ . 1 . 2]" 1 1157 1 42 GLN HA 1 43 LYS H 2.800 . 3.300 2.450 2.390 2.528 . 0 0 "[ . 1 . 2]" 1 1158 1 42 GLN QB 1 43 LYS H 4.000 . 4.500 3.024 2.374 3.425 . 0 0 "[ . 1 . 2]" 1 1159 1 44 GLY H 1 45 ASP HA 5.500 . 6.000 4.951 4.883 5.024 . 0 0 "[ . 1 . 2]" 1 1160 1 44 GLY HA3 1 45 ASP H 2.800 . 3.300 2.238 2.216 2.260 . 0 0 "[ . 1 . 2]" 1 1161 1 44 GLY HA2 1 45 ASP H 2.800 . 3.300 3.449 3.419 3.476 0.176 15 0 "[ . 1 . 2]" 1 1162 1 45 ASP H 1 46 ASP H 2.800 . 3.300 2.125 2.057 2.199 . 0 0 "[ . 1 . 2]" 1 1163 1 46 ASP H 1 46 ASP QB 2.800 . 3.300 2.298 2.217 2.388 . 0 0 "[ . 1 . 2]" 1 1164 1 46 ASP HA 1 47 PHE H 2.800 . 3.300 2.313 2.249 2.373 . 0 0 "[ . 1 . 2]" 1 1165 1 46 ASP QB 1 47 PHE H 4.000 . 4.500 3.396 2.723 3.714 . 0 0 "[ . 1 . 2]" 1 1166 1 41 GLN H 1 48 VAL HA 4.000 . 4.500 4.741 4.599 4.890 0.390 3 0 "[ . 1 . 2]" 1 1167 1 41 GLN H 1 48 VAL H 2.800 . 3.300 2.842 2.570 2.961 . 0 0 "[ . 1 . 2]" 1 1168 1 42 GLN HA 1 48 VAL H 2.800 . 3.300 3.189 3.005 3.305 0.005 4 0 "[ . 1 . 2]" 1 1169 1 47 PHE HA 1 48 VAL H 2.800 . 3.300 2.244 2.222 2.303 . 0 0 "[ . 1 . 2]" 1 1170 1 48 VAL HA 1 49 VAL H 2.800 . 3.300 2.246 2.229 2.279 . 0 0 "[ . 1 . 2]" 1 1171 1 48 VAL HB 1 49 VAL H 4.000 . 4.500 4.434 4.400 4.477 . 0 0 "[ . 1 . 2]" 1 1172 1 48 VAL MG1 1 49 VAL H 4.000 . 4.500 3.229 3.094 3.407 . 0 0 "[ . 1 . 2]" 1 1173 1 39 GLU QB 1 50 THR H 4.000 . 4.500 3.095 2.456 3.467 . 0 0 "[ . 1 . 2]" 1 1174 1 39 GLU H 1 50 THR H 2.800 . 3.300 2.877 2.657 3.094 . 0 0 "[ . 1 . 2]" 1 1175 1 49 VAL HA 1 50 THR H 2.800 . 3.300 2.225 2.211 2.235 . 0 0 "[ . 1 . 2]" 1 1176 1 49 VAL QG 1 50 THR H 4.000 . 4.500 2.554 2.394 3.530 . 0 0 "[ . 1 . 2]" 1 1177 1 49 VAL H 1 50 THR H 4.000 . 4.500 4.482 4.418 4.540 0.040 6 0 "[ . 1 . 2]" 1 1178 1 50 THR HA 1 51 SER H 2.800 . 3.300 2.247 2.230 2.288 . 0 0 "[ . 1 . 2]" 1 1179 1 50 THR MG 1 51 SER H 4.000 . 4.500 3.224 3.107 3.323 . 0 0 "[ . 1 . 2]" 1 1180 1 51 SER H 1 51 SER QB 2.800 . 3.300 2.274 2.071 2.369 . 0 0 "[ . 1 . 2]" 1 1181 1 51 SER HA 1 52 LYS H 2.800 . 3.300 2.236 2.216 2.254 . 0 0 "[ . 1 . 2]" 1 1182 1 51 SER QB 1 52 LYS H 4.000 . 4.500 3.192 3.095 3.323 . 0 0 "[ . 1 . 2]" 1 1183 1 52 LYS HA 1 53 THR H 2.800 . 3.300 2.215 2.210 2.243 . 0 0 "[ . 1 . 2]" 1 1184 1 52 LYS QB 1 53 THR H 2.800 . 3.300 3.455 3.324 3.651 0.351 1 0 "[ . 1 . 2]" 1 1185 1 53 THR HB 1 55 ARG H 2.800 . 3.300 2.257 2.051 2.746 . 0 0 "[ . 1 . 2]" 1 1186 1 53 THR MG 1 55 ARG H 5.500 . 6.000 3.574 3.317 4.104 . 0 0 "[ . 1 . 2]" 1 1187 1 55 ARG H 1 56 GLN H 2.800 . 3.300 2.084 1.870 2.252 . 0 0 "[ . 1 . 2]" 1 1188 1 56 GLN QB 1 57 THR H 2.800 . 3.300 2.720 2.477 3.414 0.114 15 0 "[ . 1 . 2]" 1 1189 1 50 THR MG 1 58 VAL H 4.000 . 4.500 4.389 3.975 4.861 0.361 1 0 "[ . 1 . 2]" 1 1190 1 57 THR HA 1 58 VAL H 2.800 . 3.300 2.222 2.213 2.243 . 0 0 "[ . 1 . 2]" 1 1191 1 58 VAL MG1 1 59 THR H 4.000 . 4.500 2.833 2.466 4.055 . 0 0 "[ . 1 . 2]" 1 1192 1 59 THR HA 1 60 ASN H 2.800 . 3.300 2.256 2.232 2.300 . 0 0 "[ . 1 . 2]" 1 1193 1 59 THR MG 1 60 ASN H 4.000 . 4.500 2.892 2.194 3.795 . 0 0 "[ . 1 . 2]" 1 1194 1 60 ASN QB 1 61 SER H 2.800 . 3.300 2.897 2.765 3.256 . 0 0 "[ . 1 . 2]" 1 1195 1 47 PHE H 1 62 PHE H 4.000 . 4.500 3.713 3.446 3.872 . 0 0 "[ . 1 . 2]" 1 1196 1 61 SER HA 1 62 PHE H 2.800 . 3.300 2.226 2.213 2.254 . 0 0 "[ . 1 . 2]" 1 1197 1 62 PHE QB 1 63 THR H 4.000 . 4.500 2.468 2.339 2.645 . 0 0 "[ . 1 . 2]" 1 1198 1 62 PHE QD 1 63 THR H 4.000 . 4.500 3.217 2.984 3.420 . 0 0 "[ . 1 . 2]" 1 1199 1 47 PHE H 1 64 LEU H 4.000 . 4.500 3.938 3.674 4.454 . 0 0 "[ . 1 . 2]" 1 1200 1 63 THR HA 1 64 LEU H 2.800 . 3.300 2.296 2.257 2.340 . 0 0 "[ . 1 . 2]" 1 1201 1 64 LEU QB 1 65 GLY H 4.000 . 4.500 3.456 3.343 3.819 . 0 0 "[ . 1 . 2]" 1 1202 1 64 LEU HG 1 65 GLY H 4.000 . 4.500 4.490 2.885 4.846 0.346 19 0 "[ . 1 . 2]" 1 1203 1 65 GLY HA3 1 66 LYS H 4.000 . 4.500 3.341 3.258 3.446 . 0 0 "[ . 1 . 2]" 1 1204 1 65 GLY HA2 1 66 LYS H 2.800 . 3.300 3.239 3.101 3.330 0.030 19 0 "[ . 1 . 2]" 1 1205 1 65 GLY H 1 66 LYS H 2.800 . 3.300 2.249 2.119 2.322 . 0 0 "[ . 1 . 2]" 1 1206 1 66 LYS HA 1 67 GLU H 2.800 . 3.300 2.276 2.237 2.326 . 0 0 "[ . 1 . 2]" 1 1207 1 66 LYS QB 1 67 GLU H 2.800 . 3.300 3.270 2.902 3.609 0.309 14 0 "[ . 1 . 2]" 1 1208 1 66 LYS QG 1 67 GLU H 4.000 . 4.500 3.356 2.187 4.482 . 0 0 "[ . 1 . 2]" 1 1209 1 67 GLU HA 1 68 ALA H 2.800 . 3.300 2.215 2.210 2.236 . 0 0 "[ . 1 . 2]" 1 1210 1 67 GLU QG 1 68 ALA H 2.800 . 3.300 2.877 2.560 2.986 . 0 0 "[ . 1 . 2]" 1 1211 1 67 GLU H 1 68 ALA H 4.000 . 4.500 4.577 4.549 4.627 0.127 12 0 "[ . 1 . 2]" 1 1212 1 67 GLU HA 1 69 ASP H 5.500 3.300 6.000 6.320 6.228 6.367 0.367 3 0 "[ . 1 . 2]" 1 1213 1 61 SER H 1 70 ILE MD 4.000 . 4.500 3.513 3.183 4.922 0.422 12 0 "[ . 1 . 2]" 1 1214 1 68 ALA H 1 70 ILE MD 5.500 . 6.000 5.663 4.413 6.071 0.071 9 0 "[ . 1 . 2]" 1 1215 1 69 ASP H 1 70 ILE MD 5.500 . 6.000 4.877 4.559 5.493 . 0 0 "[ . 1 . 2]" 1 1216 1 69 ASP H 1 70 ILE QG 4.000 . 4.500 4.546 4.195 4.677 0.177 9 0 "[ . 1 . 2]" 1 1217 1 69 ASP HA 1 70 ILE H 2.800 . 3.300 2.242 2.225 2.278 . 0 0 "[ . 1 . 2]" 1 1218 1 69 ASP QB 1 70 ILE H 2.800 . 3.300 3.156 3.008 3.242 . 0 0 "[ . 1 . 2]" 1 1219 1 69 ASP H 1 70 ILE H 4.000 . 4.500 4.613 4.584 4.664 0.164 10 0 "[ . 1 . 2]" 1 1220 1 70 ILE HA 1 71 THR H 2.800 . 3.300 2.278 2.261 2.289 . 0 0 "[ . 1 . 2]" 1 1221 1 70 ILE MG 1 71 THR H 2.800 . 3.300 2.380 2.102 2.562 . 0 0 "[ . 1 . 2]" 1 1222 1 70 ILE H 1 71 THR H 4.000 . 4.500 4.459 4.404 4.500 0.000 1 0 "[ . 1 . 2]" 1 1223 1 71 THR HA 1 72 THR H 2.800 . 3.300 2.236 2.221 2.294 . 0 0 "[ . 1 . 2]" 1 1224 1 71 THR MG 1 72 THR H 5.500 . 6.000 3.370 2.431 4.011 . 0 0 "[ . 1 . 2]" 1 1225 1 72 THR HA 1 73 MET H 2.800 . 3.300 2.377 2.347 2.418 . 0 0 "[ . 1 . 2]" 1 1226 1 72 THR MG 1 73 MET H 5.500 . 6.000 3.348 2.599 4.033 . 0 0 "[ . 1 . 2]" 1 1227 1 72 THR HB 1 74 ASP H 2.800 . 3.300 2.499 2.270 2.783 . 0 0 "[ . 1 . 2]" 1 1228 1 72 THR MG 1 74 ASP H 4.000 . 4.500 3.637 2.832 4.233 . 0 0 "[ . 1 . 2]" 1 1229 1 72 THR H 1 74 ASP H 4.000 . 4.500 4.758 4.609 4.894 0.394 10 0 "[ . 1 . 2]" 1 1230 1 73 MET H 1 74 ASP QB 4.000 . 4.500 4.437 4.152 4.619 0.119 18 0 "[ . 1 . 2]" 1 1231 1 73 MET QB 1 74 ASP H 2.800 . 3.300 3.064 2.949 3.161 . 0 0 "[ . 1 . 2]" 1 1232 1 73 MET H 1 74 ASP H 4.000 . 4.500 2.590 2.534 2.630 . 0 0 "[ . 1 . 2]" 1 1233 1 72 THR HB 1 75 GLY H 4.000 . 4.500 3.354 2.760 4.011 . 0 0 "[ . 1 . 2]" 1 1234 1 74 ASP H 1 75 GLY H 2.800 . 3.300 2.377 2.287 2.459 . 0 0 "[ . 1 . 2]" 1 1235 1 72 THR H 1 76 LYS H 4.000 . 4.500 2.878 2.568 3.133 . 0 0 "[ . 1 . 2]" 1 1236 1 74 ASP H 1 76 LYS QB 4.000 . 4.500 4.069 3.982 4.173 . 0 0 "[ . 1 . 2]" 1 1237 1 74 ASP QB 1 76 LYS H 4.000 . 4.500 4.207 3.210 4.961 0.461 14 0 "[ . 1 . 2]" 1 1238 1 74 ASP H 1 76 LYS H 4.000 . 4.500 3.605 3.461 3.929 . 0 0 "[ . 1 . 2]" 1 1239 1 75 GLY H 1 76 LYS QB 4.000 . 4.500 3.659 3.576 3.726 . 0 0 "[ . 1 . 2]" 1 1240 1 75 GLY H 1 76 LYS QG 4.000 . 4.500 4.821 4.616 5.220 0.720 14 2 "[ - . 1 +. 2]" 1 1241 1 75 GLY HA2 1 76 LYS H 4.000 . 4.500 2.955 2.716 3.095 . 0 0 "[ . 1 . 2]" 1 1242 1 75 GLY H 1 76 LYS H 2.800 . 3.300 2.086 1.910 2.341 . 0 0 "[ . 1 . 2]" 1 1243 1 76 LYS H 1 77 LYS HA 5.500 . 6.000 5.028 4.779 5.162 . 0 0 "[ . 1 . 2]" 1 1244 1 76 LYS HA 1 77 LYS H 2.800 . 3.300 2.228 2.216 2.246 . 0 0 "[ . 1 . 2]" 1 1245 1 76 LYS QB 1 77 LYS H 2.800 . 3.300 3.407 3.262 3.603 0.303 14 0 "[ . 1 . 2]" 1 1246 1 76 LYS QG 1 77 LYS H 2.800 . 3.300 3.352 3.067 3.457 0.157 16 0 "[ . 1 . 2]" 1 1247 1 77 LYS HA 1 78 LEU H 2.800 . 3.300 2.236 2.223 2.258 . 0 0 "[ . 1 . 2]" 1 1248 1 78 LEU H 1 79 LYS QG 4.000 . 4.500 4.426 4.299 4.502 0.002 17 0 "[ . 1 . 2]" 1 1249 1 78 LEU MD1 1 79 LYS H 4.000 . 4.500 3.765 3.474 3.966 . 0 0 "[ . 1 . 2]" 1 1250 1 79 LYS H 1 79 LYS QG 2.800 . 3.300 2.180 2.004 2.740 . 0 0 "[ . 1 . 2]" 1 1251 1 68 ALA H 1 80 CYS H 2.800 . 3.300 2.931 2.714 3.107 . 0 0 "[ . 1 . 2]" 1 1252 1 79 LYS HA 1 80 CYS H 2.800 . 3.300 2.373 2.272 2.510 . 0 0 "[ . 1 . 2]" 1 1253 1 79 LYS QB 1 80 CYS H 2.800 . 3.300 2.763 2.471 3.019 . 0 0 "[ . 1 . 2]" 1 1254 1 65 GLY H 1 81 THR MG 4.000 . 4.500 3.165 2.680 4.419 . 0 0 "[ . 1 . 2]" 1 1255 1 66 LYS H 1 81 THR MG 4.000 . 4.500 2.910 2.232 3.746 . 0 0 "[ . 1 . 2]" 1 1256 1 67 GLU QG 1 81 THR H 4.000 . 4.500 4.444 4.240 4.625 0.125 19 0 "[ . 1 . 2]" 1 1257 1 66 LYS H 1 82 VAL MG2 5.500 . 6.000 5.842 5.449 6.072 0.072 20 0 "[ . 1 . 2]" 1 1258 1 81 THR HA 1 82 VAL H 2.800 . 3.300 2.297 2.239 2.376 . 0 0 "[ . 1 . 2]" 1 1259 1 65 GLY H 1 83 HIS HA 4.000 . 4.500 3.752 3.362 4.061 . 0 0 "[ . 1 . 2]" 1 1260 1 82 VAL HA 1 83 HIS H 2.800 . 3.300 2.283 2.249 2.367 . 0 0 "[ . 1 . 2]" 1 1261 1 82 VAL MG1 1 83 HIS H 4.000 . 4.500 2.420 2.194 2.555 . 0 0 "[ . 1 . 2]" 1 1262 1 83 HIS HA 1 84 LEU H 2.800 . 3.300 2.345 2.277 2.407 . 0 0 "[ . 1 . 2]" 1 1263 1 83 HIS QB 1 84 LEU H 2.800 . 3.300 2.900 2.655 3.307 0.007 11 0 "[ . 1 . 2]" 1 1264 1 84 LEU HA 1 85 ALA H 2.800 . 3.300 2.237 2.214 2.285 . 0 0 "[ . 1 . 2]" 1 1265 1 84 LEU QB 1 85 ALA H 4.000 . 4.500 3.497 3.264 3.830 . 0 0 "[ . 1 . 2]" 1 1266 1 84 LEU H 1 85 ALA H 4.000 . 4.500 4.422 4.148 4.541 0.041 2 0 "[ . 1 . 2]" 1 1267 1 84 LEU QB 1 87 GLY H 4.000 . 4.500 4.075 3.746 4.496 . 0 0 "[ . 1 . 2]" 1 1268 1 84 LEU MD2 1 87 GLY H 4.000 . 4.500 4.176 3.146 4.553 0.053 8 0 "[ . 1 . 2]" 1 1269 1 86 ASN QB 1 87 GLY H 4.000 . 4.500 3.683 3.499 3.838 . 0 0 "[ . 1 . 2]" 1 1270 1 86 ASN H 1 87 GLY H 2.800 . 3.300 2.766 2.640 2.953 . 0 0 "[ . 1 . 2]" 1 1271 1 85 ALA HA 1 88 LYS H 4.000 . 4.500 4.353 4.202 4.493 . 0 0 "[ . 1 . 2]" 1 1272 1 85 ALA H 1 88 LYS H 2.800 . 3.300 2.529 2.313 2.903 . 0 0 "[ . 1 . 2]" 1 1273 1 87 GLY HA3 1 88 LYS H 4.000 . 4.500 3.565 3.543 3.583 . 0 0 "[ . 1 . 2]" 1 1274 1 87 GLY HA2 1 88 LYS H 4.000 . 4.500 2.795 2.690 2.882 . 0 0 "[ . 1 . 2]" 1 1275 1 87 GLY H 1 88 LYS H 2.800 . 3.300 2.558 2.422 2.822 . 0 0 "[ . 1 . 2]" 1 1276 1 83 HIS H 1 89 LEU HG 4.000 . 4.500 3.422 2.745 3.982 . 0 0 "[ . 1 . 2]" 1 1277 1 88 LYS HA 1 89 LEU H 2.800 . 3.300 2.218 2.210 2.236 . 0 0 "[ . 1 . 2]" 1 1278 1 88 LYS QB 1 89 LEU H 4.000 . 4.500 3.397 3.201 3.722 . 0 0 "[ . 1 . 2]" 1 1279 1 83 HIS H 1 90 VAL HB 4.000 . 4.500 4.322 4.070 5.175 0.675 6 2 "[ .+ 1 . -2]" 1 1280 1 83 HIS H 1 90 VAL H 2.800 . 3.300 2.712 2.343 3.027 . 0 0 "[ . 1 . 2]" 1 1281 1 85 ALA H 1 90 VAL MG2 4.000 . 4.500 3.329 2.658 3.940 . 0 0 "[ . 1 . 2]" 1 1282 1 89 LEU HA 1 90 VAL H 2.800 . 3.300 2.253 2.212 2.306 . 0 0 "[ . 1 . 2]" 1 1283 1 89 LEU MD2 1 90 VAL H 4.000 . 4.500 2.691 2.379 3.186 . 0 0 "[ . 1 . 2]" 1 1284 1 89 LEU HG 1 90 VAL H 2.800 . 3.300 2.665 2.373 3.046 . 0 0 "[ . 1 . 2]" 1 1285 1 90 VAL HA 1 91 THR H 2.800 . 3.300 2.218 2.210 2.234 . 0 0 "[ . 1 . 2]" 1 1286 1 91 THR HB 1 92 LYS H 4.000 . 4.500 4.500 4.464 4.563 0.063 4 0 "[ . 1 . 2]" 1 1287 1 91 THR HG1 1 92 LYS H 4.000 . 4.500 4.550 3.425 4.716 0.216 16 0 "[ . 1 . 2]" 1 1288 1 91 THR HA 1 92 LYS H 2.800 . 3.300 2.308 2.240 2.381 . 0 0 "[ . 1 . 2]" 1 1289 1 92 LYS H 1 93 SER HA 5.500 . 6.000 5.293 5.196 5.416 . 0 0 "[ . 1 . 2]" 1 1290 1 92 LYS QB 1 93 SER H 2.800 . 3.300 2.656 2.432 2.878 . 0 0 "[ . 1 . 2]" 1 1291 1 92 LYS H 1 93 SER H 4.000 . 4.500 4.622 4.603 4.644 0.144 18 0 "[ . 1 . 2]" 1 1292 1 93 SER H 1 95 LYS QG 4.000 . 4.500 5.247 5.124 5.520 1.020 18 20 [***********-*****+**] 1 1293 1 93 SER QB 1 96 PHE H 2.800 . 3.300 2.725 2.393 2.974 . 0 0 "[ . 1 . 2]" 1 1294 1 93 SER H 1 96 PHE H 2.800 . 3.300 3.603 3.472 3.733 0.433 2 0 "[ . 1 . 2]" 1 1295 1 95 LYS HD2 1 96 PHE HD2 2.800 . 3.300 2.159 1.653 3.721 0.421 9 0 "[ . 1 . 2]" 1 1296 1 95 LYS H 1 96 PHE H 2.800 . 3.300 1.523 1.506 1.596 0.294 7 0 "[ . 1 . 2]" 1 1297 1 93 SER H 1 97 SER HA 4.000 . 4.500 3.136 2.969 3.254 . 0 0 "[ . 1 . 2]" 1 1298 1 96 PHE HA 1 97 SER H 2.800 . 3.300 2.282 2.251 2.302 . 0 0 "[ . 1 . 2]" 1 1299 1 96 PHE QB 1 97 SER H 2.800 . 3.300 3.042 2.964 3.136 . 0 0 "[ . 1 . 2]" 1 1300 1 96 PHE H 1 97 SER H 4.000 . 4.500 4.225 4.150 4.272 . 0 0 "[ . 1 . 2]" 1 1301 1 91 THR H 1 98 HIS H 4.000 . 4.500 3.204 3.025 3.423 . 0 0 "[ . 1 . 2]" 1 1302 1 97 SER HA 1 98 HIS H 2.800 . 3.300 2.389 2.330 2.539 . 0 0 "[ . 1 . 2]" 1 1303 1 97 SER QB 1 98 HIS H 4.000 . 4.500 2.920 2.571 3.487 . 0 0 "[ . 1 . 2]" 1 1304 1 98 HIS HA 1 99 GLU H 2.800 . 3.300 2.256 2.231 2.286 . 0 0 "[ . 1 . 2]" 1 1305 1 98 HIS H 1 99 GLU H 4.000 . 4.500 4.356 4.265 4.419 . 0 0 "[ . 1 . 2]" 1 1306 1 89 LEU H 1 100 GLN H 4.000 . 4.500 4.005 3.780 4.257 . 0 0 "[ . 1 . 2]" 1 1307 1 88 LYS QB 1 101 GLU H 5.500 . 6.000 5.486 4.886 6.299 0.299 17 0 "[ . 1 . 2]" 1 1308 1 100 GLN HA 1 101 GLU H 2.800 . 3.300 2.367 2.315 2.416 . 0 0 "[ . 1 . 2]" 1 1309 1 3 SER H 1 102 VAL MG2 5.500 . 6.000 5.522 4.764 5.910 . 0 0 "[ . 1 . 2]" 1 1310 1 101 GLU HA 1 102 VAL H 2.800 . 3.300 2.346 2.278 2.425 . 0 0 "[ . 1 . 2]" 1 1311 1 101 GLU QB 1 102 VAL H 2.800 . 3.300 3.303 2.790 3.585 0.285 12 0 "[ . 1 . 2]" 1 1312 1 102 VAL HA 1 103 LYS H 2.800 . 3.300 2.248 2.218 2.268 . 0 0 "[ . 1 . 2]" 1 1313 1 102 VAL MG2 1 103 LYS H 4.000 . 4.500 2.638 2.266 4.113 . 0 0 "[ . 1 . 2]" 1 1314 1 6 TRP HZ3 1 107 MET H 4.000 . 4.500 3.468 2.922 3.882 . 0 0 "[ . 1 . 2]" 1 1315 1 103 LYS H 1 107 MET H 5.500 . 6.000 4.887 4.711 5.096 . 0 0 "[ . 1 . 2]" 1 1316 1 106 GLU QB 1 107 MET H 4.000 . 4.500 2.731 2.501 2.925 . 0 0 "[ . 1 . 2]" 1 1317 1 107 MET QG 1 108 VAL H 2.800 . 3.300 2.886 2.270 3.330 0.030 16 0 "[ . 1 . 2]" 1 1318 1 108 VAL HA 1 109 GLU H 2.800 . 3.300 2.214 2.211 2.229 . 0 0 "[ . 1 . 2]" 1 1319 1 108 VAL MG1 1 109 GLU H 4.000 . 4.500 2.833 2.654 2.973 . 0 0 "[ . 1 . 2]" 1 1320 1 109 GLU HA 1 110 THR H 2.800 . 3.300 2.220 2.210 2.237 . 0 0 "[ . 1 . 2]" 1 1321 1 97 SER H 1 111 ILE MG 4.000 . 4.500 3.573 3.374 3.785 . 0 0 "[ . 1 . 2]" 1 1322 1 99 GLU H 1 111 ILE QG 4.000 . 4.500 2.630 2.208 3.037 . 0 0 "[ . 1 . 2]" 1 1323 1 110 THR H 1 111 ILE QG 4.000 . 4.500 3.636 3.481 3.785 . 0 0 "[ . 1 . 2]" 1 1324 1 97 SER H 1 112 THR H 4.000 . 4.500 3.327 2.942 3.655 . 0 0 "[ . 1 . 2]" 1 1325 1 111 ILE HA 1 112 THR H 2.800 . 3.300 2.225 2.214 2.251 . 0 0 "[ . 1 . 2]" 1 1326 1 112 THR HA 1 113 PHE H 2.800 . 3.300 2.235 2.212 2.267 . 0 0 "[ . 1 . 2]" 1 1327 1 96 PHE HA 1 114 GLY H 4.000 . 4.500 4.489 4.308 4.614 0.114 5 0 "[ . 1 . 2]" 1 1328 1 113 PHE HA 1 114 GLY H 2.800 . 3.300 2.213 2.210 2.217 . 0 0 "[ . 1 . 2]" 1 1329 1 113 PHE QB 1 114 GLY H 4.000 . 4.500 3.832 3.797 3.873 . 0 0 "[ . 1 . 2]" 1 1330 1 113 PHE HD1 1 114 GLY H 4.000 . 4.500 3.244 2.846 3.890 . 0 0 "[ . 1 . 2]" 1 1331 1 112 THR MG 1 115 GLY H 5.500 . 6.000 4.189 3.247 5.940 . 0 0 "[ . 1 . 2]" 1 1332 1 17 PHE H 1 116 VAL MG1 4.000 . 4.500 3.111 2.695 3.836 . 0 0 "[ . 1 . 2]" 1 1333 1 20 ALA H 1 116 VAL MG1 4.000 . 4.500 4.474 4.229 4.621 0.121 5 0 "[ . 1 . 2]" 1 1334 1 113 PHE H 1 116 VAL H 2.800 . 3.300 2.833 2.708 2.959 . 0 0 "[ . 1 . 2]" 1 1335 1 115 GLY HA3 1 116 VAL H 2.800 . 3.300 3.359 3.306 3.405 0.105 9 0 "[ . 1 . 2]" 1 1336 1 115 GLY HA2 1 116 VAL H 2.800 . 3.300 3.223 3.161 3.283 . 0 0 "[ . 1 . 2]" 1 1337 1 115 GLY H 1 116 VAL H 4.000 . 4.500 2.594 2.547 2.640 . 0 0 "[ . 1 . 2]" 1 1338 1 113 PHE H 1 117 THR HA 2.800 . 3.300 3.468 3.357 3.568 0.268 2 0 "[ . 1 . 2]" 1 1339 1 116 VAL HA 1 117 THR H 2.800 . 3.300 2.255 2.235 2.292 . 0 0 "[ . 1 . 2]" 1 1340 1 116 VAL MG1 1 117 THR H 4.000 . 4.500 2.504 2.330 2.608 . 0 0 "[ . 1 . 2]" 1 1341 1 111 ILE HB 1 118 LEU H 4.000 . 4.500 3.567 3.331 3.855 . 0 0 "[ . 1 . 2]" 1 1342 1 112 THR HA 1 118 LEU H 4.000 . 4.500 3.311 3.138 3.468 . 0 0 "[ . 1 . 2]" 1 1343 1 117 THR HA 1 118 LEU H 2.800 . 3.300 2.224 2.215 2.236 . 0 0 "[ . 1 . 2]" 1 1344 1 12 GLU H 1 119 ILE MG 4.000 . 4.500 4.387 4.146 4.626 0.126 5 0 "[ . 1 . 2]" 1 1345 1 12 GLU H 1 119 ILE H 4.000 . 4.500 3.499 3.003 3.863 . 0 0 "[ . 1 . 2]" 1 1346 1 13 ASN QB 1 119 ILE H 4.000 . 4.500 3.967 3.650 4.423 . 0 0 "[ . 1 . 2]" 1 1347 1 118 LEU QD 1 119 ILE H 4.000 . 4.500 2.060 1.830 2.467 . 0 0 "[ . 1 . 2]" 1 1348 1 109 GLU H 1 120 ARG QB 2.800 . 3.300 3.176 2.904 3.491 0.191 15 0 "[ . 1 . 2]" 1 1349 1 9 TYR H 1 121 ARG QB 4.000 . 4.500 3.953 3.653 4.073 . 0 0 "[ . 1 . 2]" 1 1350 1 107 MET H 1 121 ARG HA 4.000 . 4.500 4.556 4.452 4.667 0.167 5 0 "[ . 1 . 2]" 1 1351 1 120 ARG HA 1 121 ARG H 2.800 . 3.300 2.215 2.211 2.223 . 0 0 "[ . 1 . 2]" 1 1352 1 9 TYR H 1 122 SER HA 4.000 . 4.500 2.806 2.018 3.209 . 0 0 "[ . 1 . 2]" 1 1353 1 108 VAL HA 1 122 SER H 4.000 . 4.500 3.342 3.224 3.548 . 0 0 "[ . 1 . 2]" 1 1354 1 109 GLU QB 1 122 SER H 5.500 . 6.000 5.371 5.045 5.584 . 0 0 "[ . 1 . 2]" 1 1355 1 109 GLU H 1 122 SER H 4.000 . 4.500 4.503 4.359 4.662 0.162 17 0 "[ . 1 . 2]" 1 1356 1 121 ARG HA 1 122 SER H 2.800 . 3.300 2.220 2.211 2.264 . 0 0 "[ . 1 . 2]" 1 1357 1 121 ARG QG 1 122 SER H 4.000 . 4.500 3.964 3.683 4.486 . 0 0 "[ . 1 . 2]" 1 1358 1 121 ARG H 1 122 SER H 4.000 . 4.500 4.475 4.400 4.561 0.061 17 0 "[ . 1 . 2]" 1 1359 1 6 TRP HE3 1 123 LYS H 4.000 . 4.500 3.739 3.480 4.066 . 0 0 "[ . 1 . 2]" 1 1360 1 7 GLN H 1 123 LYS H 4.000 . 4.500 2.354 1.994 2.957 . 0 0 "[ . 1 . 2]" 1 1361 1 9 TYR H 1 123 LYS QB 5.500 . 6.000 5.074 4.629 5.658 . 0 0 "[ . 1 . 2]" 1 1362 1 122 SER HA 1 123 LYS H 4.000 . 4.500 2.342 2.235 2.451 . 0 0 "[ . 1 . 2]" 1 1363 1 122 SER QB 1 123 LYS H 2.800 . 3.300 2.846 2.536 3.462 0.162 17 0 "[ . 1 . 2]" 1 1364 1 5 THR H 1 124 ARG QG 2.800 . 3.300 3.154 2.929 3.823 0.523 15 2 "[ . 1 + -2]" 1 1365 1 6 TRP HZ3 1 124 ARG H 4.000 . 4.500 2.782 2.500 3.152 . 0 0 "[ . 1 . 2]" 1 1366 1 123 LYS HA 1 124 ARG H 2.800 . 3.300 2.351 2.288 2.398 . 0 0 "[ . 1 . 2]" 1 1367 1 123 LYS QB 1 124 ARG H 2.800 . 3.300 3.322 2.992 3.509 0.209 19 0 "[ . 1 . 2]" 1 1368 1 6 TRP HA 1 125 VAL H 4.000 . 4.500 3.741 2.892 4.171 . 0 0 "[ . 1 . 2]" 1 1369 1 124 ARG HA 1 125 VAL H 2.800 . 3.300 2.235 2.227 2.253 . 0 0 "[ . 1 . 2]" 1 1370 1 124 ARG QB 1 125 VAL H 4.000 . 4.500 3.747 3.665 3.786 . 0 0 "[ . 1 . 2]" 1 1371 1 124 ARG QG 1 125 VAL H 2.800 . 3.300 2.675 2.558 2.731 . 0 0 "[ . 1 . 2]" 1 stop_ save_ save_distance_constraint_statistics_2 _Distance_constraint_stats_list.Sf_category distance_constraint_statistics _Distance_constraint_stats_list.Constraint_list_ID 2 _Distance_constraint_stats_list.Constraint_count 219 _Distance_constraint_stats_list.Viol_count 1048 _Distance_constraint_stats_list.Viol_total 6090.366 _Distance_constraint_stats_list.Viol_max 2.343 _Distance_constraint_stats_list.Viol_rms 0.2008 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0695 _Distance_constraint_stats_list.Viol_average_violations_only 0.2906 _Distance_constraint_stats_list.Cutoff_violation_report 0.500 _Distance_constraint_stats_list.Details . loop_ _Distance_constraint_stats_per_res.Atom_entity_assembly_ID _Distance_constraint_stats_per_res.Atom_comp_index_ID _Distance_constraint_stats_per_res.Atom_comp_ID _Distance_constraint_stats_per_res.Total_violation _Distance_constraint_stats_per_res.Max_violation _Distance_constraint_stats_per_res.Max_violation_model_number _Distance_constraint_stats_per_res.Over_cutoff_viol_count _Distance_constraint_stats_per_res.Over_cutoff_viol_per_model 1 14 TYR 9.575 0.852 20 8 "[ * * -**1 * . * +]" 1 17 PHE 21.845 2.343 10 4 "[* * *+ . 2]" 1 18 LEU 17.187 0.918 7 12 "[ ***+*** * ** * -]" 1 21 LEU 18.696 0.709 1 1 "[+ . 1 . 2]" 1 23 LEU 2.150 0.284 8 0 "[ . 1 . 2]" 1 27 LEU 8.401 0.378 7 0 "[ . 1 . 2]" 1 31 ALA 9.224 0.772 7 3 "[ *. + - . 2]" 1 34 ILE 31.506 1.249 9 19 [-*******+**********2] 1 36 PRO 3.339 0.447 19 0 "[ . 1 . 2]" 1 39 GLU 37.614 2.340 4 19 [***+***********-***2] 1 49 VAL 1.160 0.487 6 0 "[ . 1 . 2]" 1 52 LYS 37.614 2.340 4 19 [***+***********-***2] 1 53 THR 0.000 0.000 . 0 "[ . 1 . 2]" 1 55 ARG 7.961 0.400 17 0 "[ . 1 . 2]" 1 60 ASN 0.000 0.000 . 0 "[ . 1 . 2]" 1 62 PHE 0.148 0.148 3 0 "[ . 1 . 2]" 1 68 ALA 6.086 0.618 12 2 "[ . - + . 2]" 1 70 ILE 9.667 0.446 10 0 "[ . 1 . 2]" 1 72 THR 12.022 0.531 4 1 "[ +. 1 . 2]" 1 73 MET 8.077 0.368 1 0 "[ . 1 . 2]" 1 74 ASP 10.787 0.710 13 12 "[ ***** * +**- * *]" 1 76 LYS 12.950 0.738 4 7 "[***+. 1 *-. *]" 1 78 LEU 12.642 0.493 2 0 "[ . 1 . 2]" 1 80 CYS 0.000 0.000 . 0 "[ . 1 . 2]" 1 82 VAL 7.830 0.480 8 0 "[ . 1 . 2]" 1 89 LEU 9.147 0.552 20 3 "[- . 1 . * +]" 1 91 THR 11.368 0.495 8 0 "[ . 1 . 2]" 1 96 PHE 9.675 0.446 16 0 "[ . 1 . 2]" 1 98 HIS 1.882 0.191 12 0 "[ . 1 . 2]" 1 111 ILE 22.298 0.466 4 0 "[ . 1 . 2]" 1 118 LEU 0.584 0.094 6 0 "[ . 1 . 2]" 2 1 JN3 155.829 2.343 10 20 [-********+**********] 3 1 JN3 111.771 0.738 4 10 "[-**+. * ***. * *]" 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 14 TYR CD1 2 1 JN3 C18 6.000 3.000 6.500 6.568 5.857 7.093 0.593 13 6 "[ * * -* 1 + . * 2]" 2 2 1 14 TYR CE2 2 1 JN3 C18 5.000 . 5.500 5.175 4.781 5.624 0.124 17 0 "[ . 1 . 2]" 2 3 1 18 LEU CD1 2 1 JN3 C18 4.000 . 4.500 4.789 4.004 5.418 0.918 7 5 "[ *.*+ * . - 2]" 2 4 1 18 LEU CD2 2 1 JN3 C18 4.000 . 4.500 4.555 3.948 5.226 0.726 5 3 "[ + - *1 . 2]" 2 5 1 23 LEU CD1 2 1 JN3 C18 5.000 . 5.500 5.325 4.948 5.583 0.083 16 0 "[ . 1 . 2]" 2 6 1 27 LEU CG 2 1 JN3 C18 5.000 . 5.500 5.429 5.247 5.714 0.214 8 0 "[ . 1 . 2]" 2 7 1 27 LEU CD1 2 1 JN3 C18 5.000 . 5.500 5.614 5.487 5.726 0.226 8 0 "[ . 1 . 2]" 2 8 1 27 LEU CD2 2 1 JN3 C18 5.000 . 5.500 5.516 5.246 5.741 0.241 8 0 "[ . 1 . 2]" 2 9 1 31 ALA CA 2 1 JN3 C18 5.000 . 5.500 4.855 4.321 5.502 0.002 4 0 "[ . 1 . 2]" 2 10 1 31 ALA CB 2 1 JN3 C18 4.000 . 4.500 3.585 3.107 4.174 . 0 0 "[ . 1 . 2]" 2 11 1 34 ILE CD1 2 1 JN3 C18 6.000 3.000 6.500 6.578 6.029 7.082 0.582 9 1 "[ . +1 . 2]" 2 12 1 34 ILE CG2 2 1 JN3 C18 6.000 3.000 6.500 6.318 5.875 6.548 0.048 3 0 "[ . 1 . 2]" 2 13 1 36 PRO CG 2 1 JN3 C18 6.000 3.000 6.500 6.354 5.836 6.718 0.218 17 0 "[ . 1 . 2]" 2 14 1 73 MET CE 2 1 JN3 C18 6.000 3.000 6.500 5.544 5.379 5.727 . 0 0 "[ . 1 . 2]" 2 15 1 74 ASP CB 2 1 JN3 C18 7.000 4.000 7.500 6.478 6.203 6.662 . 0 0 "[ . 1 . 2]" 2 16 1 14 TYR CD1 2 1 JN3 C19 5.000 3.000 5.500 4.976 4.078 6.352 0.852 20 2 "[ . -1 . +]" 2 17 1 14 TYR CE1 2 1 JN3 C19 5.000 3.000 5.500 4.189 3.223 5.670 0.170 20 0 "[ . 1 . 2]" 2 18 1 14 TYR CE2 2 1 JN3 C19 5.000 3.000 5.500 5.314 4.142 5.658 0.158 8 0 "[ . 1 . 2]" 2 19 1 17 PHE CD2 2 1 JN3 C19 6.000 3.000 6.500 4.781 3.725 7.061 0.561 10 1 "[ . + . 2]" 2 20 1 17 PHE CE2 2 1 JN3 C19 4.000 . 4.500 4.621 3.662 6.843 2.343 10 4 "[* - *+ . 2]" 2 21 1 17 PHE CZ 2 1 JN3 C19 5.000 . 5.500 5.367 4.725 5.691 0.191 10 0 "[ . 1 . 2]" 2 22 1 18 LEU CD2 2 1 JN3 C19 4.000 . 4.500 3.975 3.080 5.189 0.689 15 3 "[ . 1 +* -]" 2 23 1 21 LEU CD1 2 1 JN3 C19 6.000 3.000 6.500 6.620 6.091 7.209 0.709 1 1 "[+ . 1 . 2]" 2 24 1 21 LEU CD2 2 1 JN3 C19 5.000 . 5.500 5.764 5.579 5.932 0.432 14 0 "[ . 1 . 2]" 2 25 1 23 LEU CD1 2 1 JN3 C19 6.000 3.000 6.500 6.441 6.164 6.784 0.284 8 0 "[ . 1 . 2]" 2 26 1 111 ILE CD1 2 1 JN3 C19 5.000 . 5.500 5.626 5.179 5.842 0.342 2 0 "[ . 1 . 2]" 2 27 1 118 LEU CD2 2 1 JN3 C19 4.000 . 4.500 4.224 3.875 4.584 0.084 7 0 "[ . 1 . 2]" 2 28 1 27 LEU CG 2 1 JN3 C21 6.000 3.000 6.500 6.514 6.265 6.878 0.378 7 0 "[ . 1 . 2]" 2 29 1 31 ALA CA 2 1 JN3 C21 4.000 . 4.500 4.801 4.466 5.272 0.772 7 2 "[ . + - . 2]" 2 30 1 34 ILE CA 2 1 JN3 C21 5.000 3.000 5.500 5.537 5.276 5.696 0.196 1 0 "[ . 1 . 2]" 2 31 1 34 ILE CB 2 1 JN3 C21 4.000 . 4.500 4.196 3.898 4.345 . 0 0 "[ . 1 . 2]" 2 32 1 34 ILE CG1 2 1 JN3 C21 5.000 3.000 5.500 4.793 4.444 5.015 . 0 0 "[ . 1 . 2]" 2 33 1 34 ILE CG2 2 1 JN3 C21 4.000 . 4.500 3.543 3.322 3.716 . 0 0 "[ . 1 . 2]" 2 34 1 34 ILE CD1 2 1 JN3 C21 5.000 . 5.500 4.022 3.659 4.292 . 0 0 "[ . 1 . 2]" 2 35 1 36 PRO CG 2 1 JN3 C21 5.000 . 5.500 4.833 4.602 5.094 . 0 0 "[ . 1 . 2]" 2 36 1 53 THR CG2 2 1 JN3 C21 4.000 . 4.500 3.472 2.839 4.123 . 0 0 "[ . 1 . 2]" 2 37 1 55 ARG CB 2 1 JN3 C21 6.000 3.000 6.500 6.699 6.469 6.900 0.400 17 0 "[ . 1 . 2]" 2 38 1 73 MET CB 2 1 JN3 C21 5.000 . 5.500 5.052 4.583 5.285 . 0 0 "[ . 1 . 2]" 2 39 1 73 MET CE 2 1 JN3 C21 4.000 . 4.500 4.084 3.626 4.360 . 0 0 "[ . 1 . 2]" 2 40 1 36 PRO CG 2 1 JN3 C1 6.000 3.000 6.500 6.568 5.985 6.947 0.447 19 0 "[ . 1 . 2]" 2 41 1 111 ILE CD1 2 1 JN3 C1 4.000 . 4.500 4.390 4.046 4.605 0.105 14 0 "[ . 1 . 2]" 2 42 1 118 LEU CD2 2 1 JN3 C1 5.000 . 5.500 5.018 4.609 5.331 . 0 0 "[ . 1 . 2]" 2 43 1 118 LEU CD2 2 1 JN3 C2 6.000 3.000 6.500 6.313 5.888 6.594 0.094 6 0 "[ . 1 . 2]" 2 44 1 111 ILE CD1 2 1 JN3 C3 4.000 . 4.500 3.757 3.381 3.933 . 0 0 "[ . 1 . 2]" 2 45 1 111 ILE CG2 2 1 JN3 C3 5.000 . 5.500 5.778 5.488 5.966 0.466 4 0 "[ . 1 . 2]" 2 46 1 111 ILE CG2 2 1 JN3 C4 6.000 3.000 6.500 6.005 5.741 6.217 . 0 0 "[ . 1 . 2]" 2 47 1 111 ILE CD1 2 1 JN3 C4 4.000 . 4.500 4.638 4.198 4.850 0.350 7 0 "[ . 1 . 2]" 2 48 1 17 PHE CE2 2 1 JN3 C5 5.000 3.000 5.500 4.772 3.760 6.930 1.430 10 4 "[* - *+ . 2]" 2 49 1 21 LEU CD2 2 1 JN3 C5 5.000 3.000 5.500 4.950 4.696 5.192 . 0 0 "[ . 1 . 2]" 2 50 1 111 ILE CG2 2 1 JN3 C5 6.000 3.000 6.500 5.759 5.387 6.018 . 0 0 "[ . 1 . 2]" 2 51 1 111 ILE CD1 2 1 JN3 C5 5.000 . 5.500 4.660 4.191 4.889 . 0 0 "[ . 1 . 2]" 2 52 1 17 PHE CE2 2 1 JN3 C6 5.000 . 5.500 4.842 3.833 7.190 1.690 10 4 "[* - *+ . 2]" 2 53 1 17 PHE CZ 2 1 JN3 C6 6.000 3.000 6.500 5.238 4.719 5.809 . 0 0 "[ . 1 . 2]" 2 54 1 18 LEU CD2 2 1 JN3 C6 5.000 . 5.500 4.486 3.471 5.308 . 0 0 "[ . 1 . 2]" 2 55 1 21 LEU CD1 2 1 JN3 C6 4.000 . 4.500 4.781 4.587 4.949 0.449 19 0 "[ . 1 . 2]" 2 56 1 21 LEU CD2 2 1 JN3 C6 4.000 . 4.500 3.540 3.271 4.021 . 0 0 "[ . 1 . 2]" 2 57 1 23 LEU CD1 2 1 JN3 C6 5.000 . 5.500 5.161 4.789 5.747 0.247 8 0 "[ . 1 . 2]" 2 58 1 18 LEU CD2 2 1 JN3 C7 6.000 3.000 6.500 4.687 3.779 5.624 . 0 0 "[ . 1 . 2]" 2 59 1 21 LEU CD1 2 1 JN3 C7 6.000 4.000 6.500 5.777 5.062 6.021 . 0 0 "[ . 1 . 2]" 2 60 1 21 LEU CD2 2 1 JN3 C7 4.000 . 4.500 4.009 3.655 5.125 0.625 1 1 "[+ . 1 . 2]" 2 61 1 23 LEU CD1 2 1 JN3 C7 5.000 . 5.500 4.619 4.323 5.087 . 0 0 "[ . 1 . 2]" 2 62 1 23 LEU CD2 2 1 JN3 C7 6.000 3.000 6.500 5.992 5.291 6.552 0.052 8 0 "[ . 1 . 2]" 2 63 1 18 LEU CD2 2 1 JN3 C8 5.000 3.000 5.500 4.301 3.466 5.119 . 0 0 "[ . 1 . 2]" 2 64 1 23 LEU CD1 2 1 JN3 C8 5.000 . 5.500 4.801 4.605 5.067 . 0 0 "[ . 1 . 2]" 2 65 1 14 TYR CE1 2 1 JN3 C11 5.000 . 5.500 4.922 4.169 6.170 0.670 20 1 "[ . 1 . +]" 2 66 1 18 LEU CD2 2 1 JN3 C11 5.000 . 5.500 5.520 4.765 6.373 0.873 20 5 "[ . * 1 - ** +]" 2 67 1 14 TYR CE1 2 1 JN3 C12 6.000 3.000 6.500 5.938 5.275 6.766 0.266 20 0 "[ . 1 . 2]" 2 68 1 31 ALA CB 2 1 JN3 C12 5.000 . 5.500 5.646 5.281 6.052 0.552 4 1 "[ +. 1 . 2]" 2 69 1 34 ILE CG2 2 1 JN3 C12 5.000 . 5.500 5.903 5.623 6.040 0.540 9 4 "[- *. +1 * . 2]" 2 70 1 36 PRO CB 2 1 JN3 C12 5.000 . 5.500 5.132 4.604 5.545 0.045 17 0 "[ . 1 . 2]" 2 71 1 36 PRO CG 2 1 JN3 C12 5.000 . 5.500 4.380 3.965 4.665 . 0 0 "[ . 1 . 2]" 2 72 1 73 MET CB 2 1 JN3 C12 5.000 . 5.500 4.624 4.262 5.101 . 0 0 "[ . 1 . 2]" 2 73 1 73 MET CE 2 1 JN3 C12 5.000 . 5.500 3.236 3.148 3.431 . 0 0 "[ . 1 . 2]" 2 74 1 23 LEU CD1 2 1 JN3 C14 5.000 . 5.500 4.994 4.746 5.209 . 0 0 "[ . 1 . 2]" 2 75 1 73 MET CB 2 1 JN3 C14 5.000 . 5.500 4.198 3.823 4.648 . 0 0 "[ . 1 . 2]" 2 76 1 23 LEU CD1 2 1 JN3 C15 6.000 3.000 6.500 4.014 3.661 4.276 . 0 0 "[ . 1 . 2]" 2 77 1 23 LEU CD2 2 1 JN3 C15 5.000 . 5.500 4.949 4.234 5.559 0.059 10 0 "[ . 1 . 2]" 2 78 1 27 LEU CD1 2 1 JN3 C15 5.000 3.000 5.500 5.095 4.854 5.560 0.060 8 0 "[ . 1 . 2]" 2 79 1 27 LEU CD2 2 1 JN3 C15 5.000 3.000 5.500 4.045 3.734 4.581 . 0 0 "[ . 1 . 2]" 2 80 1 72 THR CB 2 1 JN3 C15 6.000 3.000 6.500 5.940 5.366 6.251 . 0 0 "[ . 1 . 2]" 2 81 1 73 MET CB 2 1 JN3 C15 4.000 . 4.500 4.533 4.223 4.748 0.248 12 0 "[ . 1 . 2]" 2 82 1 73 MET CG 2 1 JN3 C15 5.000 . 5.500 5.671 5.132 5.868 0.368 1 0 "[ . 1 . 2]" 2 83 1 73 MET CE 2 1 JN3 C15 5.000 . 5.500 5.585 5.236 5.753 0.253 20 0 "[ . 1 . 2]" 2 84 1 74 ASP CA 2 1 JN3 C15 4.000 . 4.500 4.218 3.787 4.568 0.068 12 0 "[ . 1 . 2]" 2 85 1 74 ASP CB 2 1 JN3 C15 4.000 . 4.500 3.610 3.225 3.841 . 0 0 "[ . 1 . 2]" 2 86 1 23 LEU CD2 2 1 JN3 C16 6.000 3.000 6.500 5.760 5.108 6.456 . 0 0 "[ . 1 . 2]" 2 87 1 27 LEU CD2 2 1 JN3 C16 5.000 . 5.500 3.691 3.466 4.093 . 0 0 "[ . 1 . 2]" 2 88 1 73 MET CA 2 1 JN3 C16 6.000 3.000 6.500 4.582 4.246 4.772 . 0 0 "[ . 1 . 2]" 2 89 1 73 MET CB 2 1 JN3 C16 5.000 . 5.500 4.000 3.680 4.189 . 0 0 "[ . 1 . 2]" 2 90 1 73 MET CG 2 1 JN3 C16 5.000 . 5.500 4.905 4.359 5.166 . 0 0 "[ . 1 . 2]" 2 91 1 73 MET CE 2 1 JN3 C16 5.000 . 5.500 5.157 4.823 5.421 . 0 0 "[ . 1 . 2]" 2 92 1 74 ASP CA 2 1 JN3 C16 5.000 . 5.500 3.943 3.777 4.103 . 0 0 "[ . 1 . 2]" 2 93 1 74 ASP CB 2 1 JN3 C16 5.000 . 5.500 3.837 3.621 3.957 . 0 0 "[ . 1 . 2]" 2 94 1 27 LEU CD1 2 1 JN3 C17 5.000 . 5.500 4.917 4.731 5.250 . 0 0 "[ . 1 . 2]" 2 95 1 34 ILE CD1 2 1 JN3 C17 5.000 . 5.500 6.365 5.953 6.749 1.249 9 19 [********+******-***2] 2 96 1 53 THR CG2 2 1 JN3 C17 6.000 3.000 6.500 5.411 4.851 6.043 . 0 0 "[ . 1 . 2]" 2 97 1 73 MET CA 2 1 JN3 C17 5.000 3.000 5.500 4.595 4.349 4.709 . 0 0 "[ . 1 . 2]" 2 98 1 73 MET CB 2 1 JN3 C17 4.000 . 4.500 3.537 3.263 3.663 . 0 0 "[ . 1 . 2]" 2 99 1 73 MET CG 2 1 JN3 C17 5.000 . 5.500 4.149 3.651 4.472 . 0 0 "[ . 1 . 2]" 2 100 1 73 MET CE 2 1 JN3 C17 5.000 3.000 5.500 3.850 3.545 4.096 . 0 0 "[ . 1 . 2]" 2 101 1 74 ASP CB 2 1 JN3 C17 5.000 . 5.500 5.236 5.111 5.367 . 0 0 "[ . 1 . 2]" 2 102 1 27 LEU CD1 2 1 JN3 C20 5.000 . 5.500 4.526 4.317 4.747 . 0 0 "[ . 1 . 2]" 2 103 1 31 ALA CB 2 1 JN3 C20 5.000 . 5.500 3.889 3.545 4.318 . 0 0 "[ . 1 . 2]" 2 104 1 34 ILE CD1 2 1 JN3 C20 6.000 3.000 6.500 4.783 4.399 5.148 . 0 0 "[ . 1 . 2]" 2 105 1 73 MET CB 2 1 JN3 C20 4.000 . 4.500 4.401 3.977 4.614 0.114 16 0 "[ . 1 . 2]" 2 106 1 73 MET CE 2 1 JN3 C20 5.000 . 5.500 4.339 3.932 4.627 . 0 0 "[ . 1 . 2]" 2 107 1 74 ASP CA 2 1 JN3 C20 5.000 . 5.500 6.035 5.876 6.210 0.710 13 12 "[ ***** * +**- * *]" 2 108 1 27 LEU CD1 2 1 JN3 C22 4.000 . 4.500 4.319 4.084 4.603 0.103 13 0 "[ . 1 . 2]" 2 109 1 27 LEU CD2 2 1 JN3 C22 5.000 . 5.500 5.632 5.493 5.781 0.281 10 0 "[ . 1 . 2]" 2 110 1 55 ARG CD 2 1 JN3 C22 5.000 . 5.500 5.698 5.558 5.833 0.333 6 0 "[ . 1 . 2]" 2 111 1 73 MET CB 2 1 JN3 C22 5.000 . 5.500 4.113 3.449 4.520 . 0 0 "[ . 1 . 2]" 2 112 1 73 MET CE 2 1 JN3 C22 5.000 . 5.500 4.681 4.217 5.071 . 0 0 "[ . 1 . 2]" 2 113 1 31 ALA CB 2 1 JN3 C23 5.000 . 5.500 4.876 4.262 5.498 . 0 0 "[ . 1 . 2]" 2 114 1 34 ILE CD1 2 1 JN3 C23 5.000 . 5.500 4.805 4.078 5.790 0.290 18 0 "[ . 1 . 2]" 2 115 1 53 THR CG2 2 1 JN3 C23 6.000 3.000 6.500 5.274 4.441 6.225 . 0 0 "[ . 1 . 2]" 2 116 1 55 ARG CD 2 1 JN3 C23 7.000 4.000 7.500 4.673 4.210 5.761 . 0 0 "[ . 1 . 2]" 2 117 1 27 LEU CD1 2 1 JN3 C23 5.000 . 5.500 3.606 3.139 4.383 . 0 0 "[ . 1 . 2]" 2 118 1 70 ILE CA 3 1 JN3 C18 6.000 3.000 6.500 6.061 5.756 6.697 0.197 12 0 "[ . 1 . 2]" 2 119 1 70 ILE CB 3 1 JN3 C18 6.000 3.000 6.500 4.667 4.333 5.362 . 0 0 "[ . 1 . 2]" 2 120 1 72 THR CG2 3 1 JN3 C18 6.000 3.000 6.500 5.922 5.499 6.381 . 0 0 "[ . 1 . 2]" 2 121 1 78 LEU CB 3 1 JN3 C18 6.000 3.000 6.500 5.803 5.729 5.880 . 0 0 "[ . 1 . 2]" 2 122 1 78 LEU CD1 3 1 JN3 C18 4.000 . 4.500 3.422 3.292 3.550 . 0 0 "[ . 1 . 2]" 2 123 1 80 CYS CB 3 1 JN3 C18 5.000 . 5.500 4.554 4.162 4.974 . 0 0 "[ . 1 . 2]" 2 124 1 91 THR CB 3 1 JN3 C18 5.000 . 5.500 5.498 5.220 5.775 0.275 4 0 "[ . 1 . 2]" 2 125 1 91 THR CG2 3 1 JN3 C18 4.000 . 4.500 4.621 4.379 4.995 0.495 8 0 "[ . 1 . 2]" 2 126 1 96 PHE CE2 3 1 JN3 C18 4.000 . 4.500 4.566 4.280 4.812 0.312 19 0 "[ . 1 . 2]" 2 127 1 96 PHE CZ 3 1 JN3 C18 6.000 3.000 6.500 3.724 3.395 4.010 . 0 0 "[ . 1 . 2]" 2 128 1 98 HIS CB 3 1 JN3 C18 6.000 3.000 6.500 5.718 5.536 5.832 . 0 0 "[ . 1 . 2]" 2 129 1 68 ALA CB 3 1 JN3 C19 6.000 3.000 6.500 6.804 6.609 7.118 0.618 12 2 "[ . - + . 2]" 2 130 1 62 PHE CE1 3 1 JN3 C19 6.000 3.000 6.500 4.654 3.879 5.018 . 0 0 "[ . 1 . 2]" 2 131 1 62 PHE CZ 3 1 JN3 C19 6.000 3.000 6.500 4.277 4.041 4.499 . 0 0 "[ . 1 . 2]" 2 132 1 70 ILE CB 3 1 JN3 C19 5.000 . 5.500 4.840 4.723 5.099 . 0 0 "[ . 1 . 2]" 2 133 1 70 ILE CG1 3 1 JN3 C19 5.000 . 5.500 3.822 3.665 4.372 . 0 0 "[ . 1 . 2]" 2 134 1 70 ILE CG2 3 1 JN3 C19 4.000 . 4.500 4.737 4.632 4.917 0.417 8 0 "[ . 1 . 2]" 2 135 1 70 ILE CD1 3 1 JN3 C19 4.000 . 4.500 3.945 2.941 4.338 . 0 0 "[ . 1 . 2]" 2 136 1 80 CYS CB 3 1 JN3 C19 5.000 . 5.500 4.816 4.434 5.401 . 0 0 "[ . 1 . 2]" 2 137 1 82 VAL CG1 3 1 JN3 C19 5.000 . 5.500 5.002 4.845 5.167 . 0 0 "[ . 1 . 2]" 2 138 1 82 VAL CG2 3 1 JN3 C19 4.000 . 4.500 3.203 2.999 3.438 . 0 0 "[ . 1 . 2]" 2 139 1 91 THR CG2 3 1 JN3 C19 4.000 . 4.500 4.122 3.855 4.586 0.086 8 0 "[ . 1 . 2]" 2 140 1 17 PHE CZ 3 1 JN3 C21 5.000 . 5.500 5.651 5.503 5.903 0.403 20 0 "[ . 1 . 2]" 2 141 1 21 LEU CD1 3 1 JN3 C21 5.000 3.000 5.500 5.677 5.544 5.908 0.408 20 0 "[ . 1 . 2]" 2 142 1 72 THR CG2 3 1 JN3 C21 6.000 3.000 6.500 6.556 6.313 6.785 0.285 12 0 "[ . 1 . 2]" 2 143 1 78 LEU CD1 3 1 JN3 C21 5.000 . 5.500 5.842 5.530 5.993 0.493 2 0 "[ . 1 . 2]" 2 144 1 78 LEU CD2 3 1 JN3 C21 6.000 3.000 6.500 6.790 6.622 6.970 0.470 20 0 "[ . 1 . 2]" 2 145 1 91 THR CG2 3 1 JN3 C21 6.000 3.000 6.500 6.657 6.122 6.834 0.334 18 0 "[ . 1 . 2]" 2 146 1 96 PHE CB 3 1 JN3 C21 5.000 . 5.500 3.892 3.743 4.053 . 0 0 "[ . 1 . 2]" 2 147 1 96 PHE CE2 3 1 JN3 C21 4.000 . 4.500 4.456 4.211 4.687 0.187 8 0 "[ . 1 . 2]" 2 148 1 98 HIS CA 3 1 JN3 C21 5.000 . 5.500 5.557 5.401 5.667 0.167 17 0 "[ . 1 . 2]" 2 149 1 98 HIS CB 3 1 JN3 C21 5.000 . 5.500 4.820 4.657 4.944 . 0 0 "[ . 1 . 2]" 2 150 1 98 HIS CD2 3 1 JN3 C21 5.000 . 5.500 4.987 4.794 5.085 . 0 0 "[ . 1 . 2]" 2 151 1 111 ILE CG2 3 1 JN3 C21 4.000 . 4.500 4.245 3.976 4.506 0.006 9 0 "[ . 1 . 2]" 2 152 1 111 ILE CD1 3 1 JN3 C21 5.000 3.000 5.500 5.467 5.199 5.718 0.218 1 0 "[ . 1 . 2]" 2 153 1 49 VAL CG2 3 1 JN3 C1 5.000 3.000 5.500 5.456 5.322 5.987 0.487 6 0 "[ . 1 . 2]" 2 154 1 62 PHE CZ 3 1 JN3 C1 5.000 3.000 5.500 4.003 3.804 4.288 . 0 0 "[ . 1 . 2]" 2 155 1 62 PHE CE1 3 1 JN3 C1 5.000 3.000 5.500 4.697 4.098 5.014 . 0 0 "[ . 1 . 2]" 2 156 1 82 VAL CG1 3 1 JN3 C1 5.000 3.000 5.500 4.275 4.185 4.422 . 0 0 "[ . 1 . 2]" 2 157 1 82 VAL CG2 3 1 JN3 C1 4.000 . 4.500 3.813 3.625 4.058 . 0 0 "[ . 1 . 2]" 2 158 1 91 THR CB 3 1 JN3 C1 4.000 . 4.500 4.182 3.953 4.590 0.090 4 0 "[ . 1 . 2]" 2 159 1 91 THR CG2 3 1 JN3 C1 4.000 . 4.500 4.662 4.258 4.782 0.282 5 0 "[ . 1 . 2]" 2 160 1 98 HIS CB 3 1 JN3 C1 5.000 3.000 5.500 5.492 5.384 5.691 0.191 12 0 "[ . 1 . 2]" 2 161 1 98 HIS CD2 3 1 JN3 C1 5.000 3.000 5.500 5.277 5.013 5.435 . 0 0 "[ . 1 . 2]" 2 162 1 49 VAL CG2 3 1 JN3 C2 5.000 3.000 5.500 5.112 4.927 5.743 0.243 3 0 "[ . 1 . 2]" 2 163 1 82 VAL CG2 3 1 JN3 C2 5.000 3.000 5.500 5.175 4.984 5.434 . 0 0 "[ . 1 . 2]" 2 164 1 89 LEU CG 3 1 JN3 C2 5.000 3.000 5.500 4.631 4.463 4.824 . 0 0 "[ . 1 . 2]" 2 165 1 89 LEU CD1 3 1 JN3 C2 6.000 3.000 6.500 4.683 4.345 5.123 . 0 0 "[ . 1 . 2]" 2 166 1 89 LEU CD2 3 1 JN3 C2 5.000 3.000 5.500 3.376 3.299 3.543 . 0 0 "[ . 1 . 2]" 2 167 1 98 HIS CE1 3 1 JN3 C2 4.000 . 4.500 3.479 3.201 3.750 . 0 0 "[ . 1 . 2]" 2 168 1 49 VAL CB 3 1 JN3 C3 6.000 3.000 6.500 4.260 4.024 4.646 . 0 0 "[ . 1 . 2]" 2 169 1 49 VAL CG1 3 1 JN3 C3 4.000 . 4.500 4.135 3.855 4.722 0.222 6 0 "[ . 1 . 2]" 2 170 1 49 VAL CG2 3 1 JN3 C3 4.000 . 4.500 3.616 3.394 4.380 . 0 0 "[ . 1 . 2]" 2 171 1 62 PHE CE1 3 1 JN3 C3 6.000 3.000 6.500 5.325 4.215 5.971 . 0 0 "[ . 1 . 2]" 2 172 1 62 PHE CZ 3 1 JN3 C3 4.000 . 4.500 4.268 4.066 4.648 0.148 3 0 "[ . 1 . 2]" 2 173 1 82 VAL CG1 3 1 JN3 C3 5.000 . 5.500 5.847 5.745 5.980 0.480 8 0 "[ . 1 . 2]" 2 174 1 82 VAL CG2 3 1 JN3 C3 7.000 4.000 7.500 5.876 5.688 6.061 . 0 0 "[ . 1 . 2]" 2 175 1 89 LEU CD1 3 1 JN3 C3 6.000 3.000 6.500 4.952 4.558 5.437 . 0 0 "[ . 1 . 2]" 2 176 1 89 LEU CD2 3 1 JN3 C3 5.000 . 5.500 4.419 4.266 4.648 . 0 0 "[ . 1 . 2]" 2 177 1 70 ILE CG2 3 1 JN3 C7 4.000 . 4.500 3.343 3.233 3.532 . 0 0 "[ . 1 . 2]" 2 178 1 70 ILE CD1 3 1 JN3 C7 4.000 . 4.500 3.998 3.781 4.235 . 0 0 "[ . 1 . 2]" 2 179 1 72 THR CA 3 1 JN3 C7 6.000 3.000 6.500 6.665 6.295 6.879 0.379 3 0 "[ . 1 . 2]" 2 180 1 72 THR CG2 3 1 JN3 C7 6.000 3.000 6.500 6.827 6.269 7.031 0.531 4 1 "[ +. 1 . 2]" 2 181 1 49 VAL CG1 3 1 JN3 C4 5.000 3.000 5.500 3.553 3.372 4.257 . 0 0 "[ . 1 . 2]" 2 182 1 49 VAL CG2 3 1 JN3 C4 5.000 3.000 5.500 3.600 3.344 3.922 . 0 0 "[ . 1 . 2]" 2 183 1 49 VAL CB 3 1 JN3 C5 5.000 3.000 5.500 4.298 4.156 4.719 . 0 0 "[ . 1 . 2]" 2 184 1 49 VAL CG1 3 1 JN3 C5 5.000 3.000 5.500 4.477 3.757 4.878 . 0 0 "[ . 1 . 2]" 2 185 1 49 VAL CG2 3 1 JN3 C5 5.000 3.000 5.500 4.166 3.685 4.499 . 0 0 "[ . 1 . 2]" 2 186 1 49 VAL CB 3 1 JN3 C6 5.000 3.000 5.500 4.555 4.304 4.999 . 0 0 "[ . 1 . 2]" 2 187 1 60 ASN CB 3 1 JN3 C6 5.000 3.000 5.500 4.273 3.799 4.590 . 0 0 "[ . 1 . 2]" 2 188 1 70 ILE CG2 3 1 JN3 C6 5.000 3.000 5.500 3.821 3.400 4.039 . 0 0 "[ . 1 . 2]" 2 189 1 70 ILE CD1 3 1 JN3 C6 4.000 . 4.500 3.237 2.995 3.640 . 0 0 "[ . 1 . 2]" 2 190 1 70 ILE CG2 3 1 JN3 C8 5.000 3.000 5.500 3.274 3.158 3.635 . 0 0 "[ . 1 . 2]" 2 191 1 70 ILE CD1 3 1 JN3 C8 5.000 3.000 5.500 4.402 4.009 4.562 . 0 0 "[ . 1 . 2]" 2 192 1 82 VAL CG2 3 1 JN3 C11 5.000 3.000 5.500 5.482 5.337 5.721 0.221 6 0 "[ . 1 . 2]" 2 193 1 89 LEU CD2 3 1 JN3 C11 5.000 3.000 5.500 5.957 5.869 6.052 0.552 20 3 "[- . 1 . * +]" 2 194 1 91 THR CB 3 1 JN3 C11 4.000 . 4.500 3.568 3.378 4.117 . 0 0 "[ . 1 . 2]" 2 195 1 91 THR CG2 3 1 JN3 C11 4.000 . 4.500 3.437 3.049 3.580 . 0 0 "[ . 1 . 2]" 2 196 1 98 HIS CB 3 1 JN3 C11 4.000 . 4.500 3.788 3.651 3.987 . 0 0 "[ . 1 . 2]" 2 197 1 98 HIS CD2 3 1 JN3 C11 5.000 3.000 5.500 3.859 3.608 4.062 . 0 0 "[ . 1 . 2]" 2 198 1 111 ILE CD1 3 1 JN3 C11 6.000 3.000 6.500 6.733 6.517 6.917 0.417 13 0 "[ . 1 . 2]" 2 199 1 96 PHE CE1 3 1 JN3 C12 5.000 3.000 5.500 4.628 4.358 4.944 . 0 0 "[ . 1 . 2]" 2 200 1 111 ILE CD1 3 1 JN3 C12 5.000 3.000 5.500 5.687 5.560 5.789 0.289 13 0 "[ . 1 . 2]" 2 201 1 70 ILE CG2 3 1 JN3 C15 4.000 . 4.500 3.270 3.143 3.986 . 0 0 "[ . 1 . 2]" 2 202 1 70 ILE CD1 3 1 JN3 C15 5.000 3.000 5.500 5.737 5.551 5.946 0.446 10 0 "[ . 1 . 2]" 2 203 1 72 THR CA 3 1 JN3 C15 5.000 3.000 5.500 4.615 4.462 4.931 . 0 0 "[ . 1 . 2]" 2 204 1 72 THR CB 3 1 JN3 C15 5.000 3.000 5.500 4.754 4.518 5.013 . 0 0 "[ . 1 . 2]" 2 205 1 72 THR CG2 3 1 JN3 C15 5.000 3.000 5.500 3.926 3.490 4.124 . 0 0 "[ . 1 . 2]" 2 206 1 78 LEU CD1 3 1 JN3 C15 5.000 3.000 5.500 5.069 4.752 5.300 . 0 0 "[ . 1 . 2]" 2 207 1 78 LEU CD2 3 1 JN3 C15 5.000 . 5.500 4.886 4.612 5.157 . 0 0 "[ . 1 . 2]" 2 208 1 72 THR CB 3 1 JN3 C16 5.000 3.000 5.500 4.398 4.264 4.762 . 0 0 "[ . 1 . 2]" 2 209 1 72 THR CG2 3 1 JN3 C16 4.000 . 4.500 3.327 3.145 3.429 . 0 0 "[ . 1 . 2]" 2 210 1 78 LEU CD1 3 1 JN3 C16 5.000 3.000 5.500 4.751 4.484 5.012 . 0 0 "[ . 1 . 2]" 2 211 1 78 LEU CD2 3 1 JN3 C16 5.000 3.000 5.500 4.525 4.274 4.772 . 0 0 "[ . 1 . 2]" 2 212 1 96 PHE CE2 3 1 JN3 C16 5.000 3.000 5.500 5.846 5.739 5.946 0.446 16 0 "[ . 1 . 2]" 2 213 1 76 LYS CD 3 1 JN3 C22 5.000 3.000 5.500 5.987 5.868 6.238 0.738 4 7 "[***+. 1 *-. *]" 2 214 1 21 LEU CD1 3 1 JN3 C23 5.000 3.000 5.500 5.049 4.108 5.590 0.090 10 0 "[ . 1 . 2]" 2 215 1 21 LEU CD2 3 1 JN3 C23 5.000 3.000 5.500 4.996 4.424 5.694 0.194 1 0 "[ . 1 . 2]" 2 216 1 96 PHE CD2 3 1 JN3 C23 5.000 3.000 5.500 3.765 3.191 4.226 . 0 0 "[ . 1 . 2]" 2 217 2 1 JN3 O3 3 1 JN3 O7 3.900 3.700 4.000 3.924 3.708 4.188 0.188 15 0 "[ . 1 . 2]" 2 218 1 76 LYS NZ 3 1 JN3 O26 3.000 2.800 3.100 3.254 3.057 3.418 0.318 1 0 "[ . 1 . 2]" 2 219 1 39 GLU OE2 1 52 LYS NZ 3.000 2.800 3.100 4.981 3.301 5.440 2.340 4 19 [***+***********-***2] 2 stop_ save_ save_distance_constraint_statistics_3 _Distance_constraint_stats_list.Sf_category distance_constraint_statistics _Distance_constraint_stats_list.Constraint_list_ID 3 _Distance_constraint_stats_list.Constraint_count 152 _Distance_constraint_stats_list.Viol_count 1799 _Distance_constraint_stats_list.Viol_total 8972.732 _Distance_constraint_stats_list.Viol_max 2.967 _Distance_constraint_stats_list.Viol_rms 0.2726 _Distance_constraint_stats_list.Viol_average_all_restraints 0.1476 _Distance_constraint_stats_list.Viol_average_violations_only 0.2494 _Distance_constraint_stats_list.Cutoff_violation_report 0.500 _Distance_constraint_stats_list.Details . loop_ _Distance_constraint_stats_per_res.Atom_entity_assembly_ID _Distance_constraint_stats_per_res.Atom_comp_index_ID _Distance_constraint_stats_per_res.Atom_comp_ID _Distance_constraint_stats_per_res.Total_violation _Distance_constraint_stats_per_res.Max_violation _Distance_constraint_stats_per_res.Max_violation_model_number _Distance_constraint_stats_per_res.Over_cutoff_viol_count _Distance_constraint_stats_per_res.Over_cutoff_viol_per_model 1 4 GLY 1.742 0.393 16 0 "[ . 1 . 2]" 1 6 TRP 16.773 0.718 19 4 "[ -. 1 .** +2]" 1 7 GLN 5.991 0.560 19 1 "[ . 1 . +2]" 1 8 VAL 28.002 1.226 16 20 [***************+*-**] 1 9 TYR 8.931 0.584 16 1 "[ . 1 .+ 2]" 1 10 ALA 5.568 0.549 16 2 "[ . 1 .+- 2]" 1 12 GLU 2.071 0.177 3 0 "[ . 1 . 2]" 1 13 ASN 6.257 0.461 14 0 "[ . 1 . 2]" 1 14 TYR 3.484 0.331 16 0 "[ . 1 . 2]" 1 15 GLU 1.906 0.256 13 0 "[ . 1 . 2]" 1 16 GLU 8.818 0.444 1 0 "[ . 1 . 2]" 1 17 PHE 15.152 0.506 18 2 "[- . 1 . + 2]" 1 18 LEU 5.867 0.331 16 0 "[ . 1 . 2]" 1 19 LYS 1.906 0.256 13 0 "[ . 1 . 2]" 1 20 ALA 8.818 0.444 1 0 "[ . 1 . 2]" 1 21 LEU 8.896 0.506 18 2 "[- . 1 . + 2]" 1 22 ALA 2.384 0.289 12 0 "[ . 1 . 2]" 1 24 PRO 2.944 0.316 4 0 "[ . 1 . 2]" 1 25 GLU 0.505 0.100 10 0 "[ . 1 . 2]" 1 26 ASP 3.027 0.270 20 0 "[ . 1 . 2]" 1 27 LEU 1.809 0.279 4 0 "[ . 1 . 2]" 1 28 ILE 7.915 0.445 4 0 "[ . 1 . 2]" 1 29 LYS 0.505 0.100 10 0 "[ . 1 . 2]" 1 30 MET 3.027 0.270 20 0 "[ . 1 . 2]" 1 31 ALA 19.860 0.857 10 12 "[** *. * *+* *** -*2]" 1 32 ARG 4.971 0.445 4 0 "[ . 1 . 2]" 1 34 ILE 18.051 0.857 10 12 "[** *. * *+* *** -*2]" 1 36 PRO 28.002 1.226 16 20 [***************+*-**] 1 37 ILE 7.535 0.554 20 1 "[ . 1 . +]" 1 38 VAL 16.773 0.718 19 4 "[ -. 1 .** +2]" 1 39 GLU 1.535 0.335 4 0 "[ . 1 . 2]" 1 40 ILE 1.742 0.393 16 0 "[ . 1 . 2]" 1 41 GLN 21.298 0.837 8 17 "[** ** *+******.**-**]" 1 43 LYS 70.464 1.626 16 20 [***************+-***] 1 46 ASP 70.464 1.626 16 20 [***************+-***] 1 47 PHE 2.454 0.211 14 0 "[ . 1 . 2]" 1 48 VAL 21.298 0.837 8 17 "[** ** *+******.**-**]" 1 49 VAL 1.915 0.127 19 0 "[ . 1 . 2]" 1 50 THR 1.535 0.335 4 0 "[ . 1 . 2]" 1 51 SER 4.255 0.442 1 0 "[ . 1 . 2]" 1 52 LYS 7.535 0.554 20 1 "[ . 1 . +]" 1 53 THR 1.244 0.142 1 0 "[ . 1 . 2]" 1 55 ARG 12.816 2.510 20 3 "[ * . 1 -. +]" 1 56 GLN 1.244 0.142 1 0 "[ . 1 . 2]" 1 58 VAL 4.255 0.442 1 0 "[ . 1 . 2]" 1 60 ASN 1.915 0.127 19 0 "[ . 1 . 2]" 1 62 PHE 2.454 0.211 14 0 "[ . 1 . 2]" 1 63 THR 10.292 0.493 14 0 "[ . 1 . 2]" 1 65 GLY 9.606 0.462 14 0 "[ . 1 . 2]" 1 66 LYS 10.292 0.493 14 0 "[ . 1 . 2]" 1 68 ALA 12.474 0.493 4 0 "[ . 1 . 2]" 1 70 ILE 11.599 0.520 12 1 "[ . 1 + . 2]" 1 72 THR 7.060 0.410 8 0 "[ . 1 . 2]" 1 76 LYS 7.060 0.410 8 0 "[ . 1 . 2]" 1 78 LEU 11.599 0.520 12 1 "[ . 1 + . 2]" 1 80 CYS 12.474 0.493 4 0 "[ . 1 . 2]" 1 82 VAL 9.606 0.462 14 0 "[ . 1 . 2]" 1 83 HIS 14.183 0.618 11 5 "[ ** *1+ . - 2]" 1 85 ALA 15.729 0.562 4 3 "[ +. - . *]" 1 88 LYS 15.729 0.562 4 3 "[ +. - . *]" 1 89 LEU 27.801 1.169 9 20 [********+***-*******] 1 90 VAL 14.183 0.618 11 5 "[ ** *1+ . - 2]" 1 91 THR 3.061 0.335 2 0 "[ . 1 . 2]" 1 93 SER 27.697 1.173 2 20 [*+******-***********] 1 96 PHE 27.697 1.173 2 20 [*+******-***********] 1 97 SER 14.879 0.984 2 7 "[ + -* **** . 2]" 1 98 HIS 3.061 0.335 2 0 "[ . 1 . 2]" 1 99 GLU 3.760 0.247 10 0 "[ . 1 . 2]" 1 100 GLN 27.801 1.169 9 20 [********+***-*******] 1 101 GLU 0.935 0.159 9 0 "[ . 1 . 2]" 1 103 LYS 10.324 0.353 8 0 "[ . 1 . 2]" 1 105 ASN 2.018 0.224 19 0 "[ . 1 . 2]" 1 106 GLU 10.324 0.353 8 0 "[ . 1 . 2]" 1 107 MET 1.348 0.159 19 0 "[ . 1 . 2]" 1 108 VAL 0.935 0.159 9 0 "[ . 1 . 2]" 1 109 GLU 17.059 2.967 18 3 "[ . 1 - . +*2]" 1 110 THR 3.760 0.247 10 0 "[ . 1 . 2]" 1 111 ILE 2.683 0.144 14 0 "[ . 1 . 2]" 1 112 THR 14.879 0.984 2 7 "[ + -* **** . 2]" 1 113 PHE 0.486 0.088 15 0 "[ . 1 . 2]" 1 116 VAL 0.486 0.088 15 0 "[ . 1 . 2]" 1 118 LEU 2.683 0.144 14 0 "[ . 1 . 2]" 1 119 ILE 2.071 0.177 3 0 "[ . 1 . 2]" 1 120 ARG 17.059 2.967 18 3 "[ . 1 - . +*2]" 1 121 ARG 14.499 0.584 16 2 "[ . 1 .+- 2]" 1 122 SER 1.348 0.159 19 0 "[ . 1 . 2]" 1 123 LYS 5.991 0.560 19 1 "[ . 1 . +2]" 1 124 ARG 2.018 0.224 19 0 "[ . 1 . 2]" 2 1 JN3 12.816 2.510 20 3 "[ * . 1 -. +]" 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 4 GLY H 1 40 ILE O 2.020 . 2.020 1.899 1.835 2.015 . 0 0 "[ . 1 . 2]" 3 2 1 4 GLY N 1 40 ILE O 3.020 2.520 3.020 2.837 2.755 2.938 . 0 0 "[ . 1 . 2]" 3 3 1 4 GLY O 1 40 ILE H 2.100 . 2.100 2.041 1.904 2.493 0.393 16 0 "[ . 1 . 2]" 3 4 1 4 GLY O 1 40 ILE N 3.100 2.600 3.100 2.981 2.875 3.300 0.200 16 0 "[ . 1 . 2]" 3 5 1 6 TRP H 1 38 VAL O 1.900 . 1.900 2.119 1.917 2.618 0.718 19 2 "[ . 1 . - +2]" 3 6 1 6 TRP N 1 38 VAL O 2.900 2.400 2.900 3.032 2.885 3.348 0.448 19 0 "[ . 1 . 2]" 3 7 1 6 TRP O 1 38 VAL H 1.840 . 1.840 2.112 1.974 2.470 0.630 19 3 "[ -. 1 .* +2]" 3 8 1 6 TRP O 1 38 VAL N 2.840 2.340 2.840 3.056 2.923 3.410 0.570 19 1 "[ . 1 . +2]" 3 9 1 8 VAL H 1 36 PRO O 2.400 2.200 2.400 3.145 2.990 3.626 1.226 16 20 [***************+*-**] 3 10 1 8 VAL N 1 36 PRO O 3.400 2.900 3.400 4.055 3.934 4.241 0.841 19 20 [*****************-+*] 3 11 1 7 GLN H 1 123 LYS O 1.980 . 1.980 1.929 1.336 2.150 0.444 19 0 "[ . 1 . 2]" 3 12 1 7 GLN N 1 123 LYS O 2.980 2.480 2.980 2.818 2.200 3.044 0.280 19 0 "[ . 1 . 2]" 3 13 1 7 GLN O 1 123 LYS H 2.250 2.050 2.250 2.107 1.490 2.399 0.560 19 1 "[ . 1 . +2]" 3 14 1 7 GLN O 1 123 LYS N 3.250 2.750 3.250 3.008 2.452 3.270 0.298 19 0 "[ . 1 . 2]" 3 15 1 9 TYR H 1 121 ARG O 1.950 . 1.950 1.993 1.166 2.238 0.584 16 1 "[ . 1 .+ 2]" 3 16 1 9 TYR N 1 121 ARG O 2.950 2.450 2.950 2.943 2.110 3.197 0.340 16 0 "[ . 1 . 2]" 3 17 1 10 ALA O 1 121 ARG H 1.900 . 1.900 2.043 1.840 2.449 0.549 16 2 "[ . 1 .+- 2]" 3 18 1 10 ALA O 1 121 ARG N 2.900 2.400 2.900 3.006 2.789 3.398 0.498 16 0 "[ . 1 . 2]" 3 19 1 10 ALA H 1 121 ARG O 2.800 2.600 2.800 2.660 2.540 2.902 0.102 16 0 "[ . 1 . 2]" 3 20 1 10 ALA N 1 121 ARG O 3.800 3.300 3.800 3.567 3.340 3.648 . 0 0 "[ . 1 . 2]" 3 21 1 12 GLU H 1 119 ILE O 3.040 2.840 3.040 2.840 2.663 3.048 0.177 3 0 "[ . 1 . 2]" 3 22 1 12 GLU N 1 119 ILE O 4.040 3.540 4.040 3.737 3.468 3.964 0.072 3 0 "[ . 1 . 2]" 3 23 1 12 GLU O 1 119 ILE H 3.400 3.200 3.400 3.217 3.043 3.486 0.157 12 0 "[ . 1 . 2]" 3 24 1 12 GLU O 1 119 ILE N 4.400 3.900 4.400 4.181 4.021 4.425 0.025 15 0 "[ . 1 . 2]" 3 25 1 13 ASN O 1 17 PHE H 2.450 2.250 2.450 1.992 1.789 2.272 0.461 14 0 "[ . 1 . 2]" 3 26 1 13 ASN O 1 17 PHE N 3.450 2.950 3.450 2.930 2.732 3.180 0.218 14 0 "[ . 1 . 2]" 3 27 1 14 TYR O 1 18 LEU H 2.080 . 2.080 2.170 1.879 2.411 0.331 16 0 "[ . 1 . 2]" 3 28 1 14 TYR O 1 18 LEU N 3.080 2.580 3.080 3.117 2.837 3.363 0.283 13 0 "[ . 1 . 2]" 3 29 1 15 GLU O 1 19 LYS H 1.960 . 1.960 1.863 1.640 2.216 0.256 13 0 "[ . 1 . 2]" 3 30 1 15 GLU O 1 19 LYS N 2.960 2.460 2.960 2.811 2.584 3.153 0.193 13 0 "[ . 1 . 2]" 3 31 1 16 GLU O 1 20 ALA H 2.040 . 2.040 2.317 2.205 2.484 0.444 1 0 "[ . 1 . 2]" 3 32 1 16 GLU O 1 20 ALA N 3.040 2.540 3.040 3.204 3.075 3.364 0.324 1 0 "[ . 1 . 2]" 3 33 1 17 PHE O 1 21 LEU H 2.180 . 2.180 2.459 2.085 2.686 0.506 18 2 "[- . 1 . + 2]" 3 34 1 17 PHE O 1 21 LEU N 3.180 2.680 3.180 3.309 3.027 3.474 0.294 18 0 "[ . 1 . 2]" 3 35 1 18 LEU O 1 22 ALA H 2.780 2.580 2.780 2.753 2.318 3.069 0.289 12 0 "[ . 1 . 2]" 3 36 1 18 LEU O 1 22 ALA N 3.780 3.280 3.780 3.484 3.130 3.746 0.150 16 0 "[ . 1 . 2]" 3 37 1 24 PRO O 1 28 ILE H 2.070 . 2.070 2.172 1.892 2.386 0.316 4 0 "[ . 1 . 2]" 3 38 1 24 PRO O 1 28 ILE N 3.070 2.570 3.070 3.017 2.866 3.166 0.096 5 0 "[ . 1 . 2]" 3 39 1 25 GLU O 1 29 LYS H 2.070 . 2.070 1.981 1.773 2.170 0.100 10 0 "[ . 1 . 2]" 3 40 1 25 GLU O 1 29 LYS N 3.070 2.570 3.070 2.947 2.732 3.118 0.048 10 0 "[ . 1 . 2]" 3 41 1 26 ASP O 1 30 MET H 3.040 2.840 3.040 2.819 2.633 3.027 0.207 12 0 "[ . 1 . 2]" 3 42 1 26 ASP O 1 30 MET N 3.490 2.990 3.490 3.587 3.398 3.760 0.270 20 0 "[ . 1 . 2]" 3 43 1 27 LEU O 1 31 ALA H 2.190 . 2.190 2.164 1.848 2.469 0.279 4 0 "[ . 1 . 2]" 3 44 1 27 LEU O 1 31 ALA N 3.190 2.690 3.190 2.907 2.588 3.180 0.102 7 0 "[ . 1 . 2]" 3 45 1 28 ILE O 1 32 ARG H 2.080 . 2.080 2.294 1.790 2.525 0.445 4 0 "[ . 1 . 2]" 3 46 1 28 ILE O 1 32 ARG N 3.080 2.580 3.080 2.786 2.569 2.909 0.011 8 0 "[ . 1 . 2]" 3 47 1 31 ALA O 1 34 ILE H 2.200 . 2.200 2.753 2.580 3.057 0.857 10 12 "[** *. * *+* *** -*2]" 3 48 1 31 ALA O 1 34 ILE N 3.200 2.700 3.200 3.549 3.407 3.923 0.723 10 2 "[ . - + . 2]" 3 49 1 37 ILE H 1 52 LYS O 2.320 2.120 2.320 2.387 2.180 2.553 0.233 19 0 "[ . 1 . 2]" 3 50 1 37 ILE N 1 52 LYS O 3.320 2.820 3.320 3.283 3.120 3.409 0.089 7 0 "[ . 1 . 2]" 3 51 1 37 ILE O 1 52 LYS H 2.100 . 2.100 2.272 2.072 2.654 0.554 20 1 "[ . 1 . +]" 3 52 1 37 ILE O 1 52 LYS N 3.100 2.600 3.100 3.203 3.011 3.527 0.427 20 0 "[ . 1 . 2]" 3 53 1 39 GLU H 1 50 THR O 2.440 2.240 2.440 2.232 2.163 2.483 0.077 18 0 "[ . 1 . 2]" 3 54 1 39 GLU N 1 50 THR O 3.440 2.940 3.440 3.200 3.133 3.441 0.001 3 0 "[ . 1 . 2]" 3 55 1 39 GLU O 1 50 THR H 2.170 . 2.170 2.199 2.055 2.505 0.335 4 0 "[ . 1 . 2]" 3 56 1 39 GLU O 1 50 THR N 3.170 2.670 3.170 3.111 2.987 3.285 0.115 4 0 "[ . 1 . 2]" 3 57 1 41 GLN H 1 48 VAL O 2.560 2.360 2.560 2.241 2.096 2.423 0.264 17 0 "[ . 1 . 2]" 3 58 1 41 GLN N 1 48 VAL O 3.560 3.060 3.560 3.118 3.004 3.232 0.056 3 0 "[ . 1 . 2]" 3 59 1 41 GLN O 1 48 VAL H 2.600 2.400 2.600 3.214 2.843 3.437 0.837 8 17 "[** ** *+******.**-**]" 3 60 1 41 GLN O 1 48 VAL N 3.600 3.100 3.600 3.921 3.624 4.145 0.545 19 2 "[ . - 1 . +2]" 3 61 1 43 LYS H 1 46 ASP O 2.100 . 2.100 2.531 2.345 2.731 0.631 16 7 "[** . 1* .+- **]" 3 62 1 43 LYS N 1 46 ASP O 3.100 2.600 3.100 3.386 3.220 3.491 0.391 8 0 "[ . 1 . 2]" 3 63 1 43 LYS O 1 46 ASP H 2.480 2.280 2.480 3.895 3.723 4.106 1.626 16 20 [****-**********+****] 3 64 1 43 LYS O 1 46 ASP N 3.480 2.980 3.480 4.871 4.699 5.085 1.605 16 20 [****-**********+****] 3 65 1 47 PHE H 1 62 PHE O 1.970 . 1.970 2.028 1.910 2.181 0.211 14 0 "[ . 1 . 2]" 3 66 1 47 PHE N 1 62 PHE O 2.970 2.470 2.970 2.968 2.845 3.160 0.190 14 0 "[ . 1 . 2]" 3 67 1 47 PHE O 1 62 PHE H 2.330 2.130 2.330 2.187 2.046 2.479 0.149 14 0 "[ . 1 . 2]" 3 68 1 47 PHE O 1 62 PHE N 3.330 2.830 3.330 3.124 2.986 3.414 0.084 14 0 "[ . 1 . 2]" 3 69 1 49 VAL H 1 60 ASN O 2.450 2.250 2.450 2.407 2.261 2.547 0.097 6 0 "[ . 1 . 2]" 3 70 1 49 VAL N 1 60 ASN O 3.450 2.950 3.450 3.064 2.983 3.121 . 0 0 "[ . 1 . 2]" 3 71 1 49 VAL O 1 60 ASN H 1.860 . 1.860 1.925 1.779 1.987 0.127 19 0 "[ . 1 . 2]" 3 72 1 49 VAL O 1 60 ASN N 2.860 2.360 2.860 2.830 2.735 2.913 0.053 19 0 "[ . 1 . 2]" 3 73 1 51 SER H 1 58 VAL O 2.420 2.220 2.420 2.296 2.126 2.398 0.094 14 0 "[ . 1 . 2]" 3 74 1 51 SER N 1 58 VAL O 3.420 2.920 3.420 2.908 2.860 2.971 0.060 2 0 "[ . 1 . 2]" 3 75 1 51 SER O 1 58 VAL H 1.830 . 1.830 1.985 1.802 2.272 0.442 1 0 "[ . 1 . 2]" 3 76 1 51 SER O 1 58 VAL N 2.830 2.330 2.830 2.845 2.763 2.948 0.118 1 0 "[ . 1 . 2]" 3 77 1 53 THR H 1 56 GLN O 1.770 . 1.770 1.792 1.690 1.912 0.142 1 0 "[ . 1 . 2]" 3 78 1 53 THR N 1 56 GLN O 2.770 2.270 2.770 2.608 2.570 2.672 . 0 0 "[ . 1 . 2]" 3 79 1 53 THR O 1 56 GLN H 3.030 2.830 3.030 2.875 2.759 3.022 0.071 11 0 "[ . 1 . 2]" 3 80 1 53 THR O 1 56 GLN N 4.030 3.530 4.030 3.542 3.476 3.639 0.054 7 0 "[ . 1 . 2]" 3 81 1 63 THR O 1 66 LYS H 2.260 2.060 2.260 2.580 2.416 2.753 0.493 14 0 "[ . 1 . 2]" 3 82 1 63 THR O 1 66 LYS N 3.260 2.760 3.260 3.452 3.211 3.618 0.358 14 0 "[ . 1 . 2]" 3 83 1 65 GLY H 1 82 VAL O 2.260 2.060 2.260 2.566 2.348 2.722 0.462 14 0 "[ . 1 . 2]" 3 84 1 65 GLY N 1 82 VAL O 3.260 2.760 3.260 3.434 3.284 3.542 0.282 2 0 "[ . 1 . 2]" 3 85 1 68 ALA H 1 80 CYS O 2.220 2.020 2.220 2.508 2.202 2.713 0.493 4 0 "[ . 1 . 2]" 3 86 1 68 ALA N 1 80 CYS O 3.220 2.720 3.220 3.467 3.180 3.665 0.445 4 0 "[ . 1 . 2]" 3 87 1 68 ALA O 1 80 CYS H 2.490 2.290 2.490 2.280 2.028 2.552 0.262 11 0 "[ . 1 . 2]" 3 88 1 68 ALA O 1 80 CYS N 3.490 2.990 3.490 3.190 2.986 3.401 0.004 11 0 "[ . 1 . 2]" 3 89 1 70 ILE H 1 78 LEU O 1.670 . 1.670 1.947 1.779 2.190 0.520 12 1 "[ . 1 + . 2]" 3 90 1 70 ILE N 1 78 LEU O 2.670 2.170 2.670 2.879 2.728 3.081 0.411 12 0 "[ . 1 . 2]" 3 91 1 70 ILE O 1 78 LEU H 2.200 . 2.200 2.244 2.023 2.377 0.177 12 0 "[ . 1 . 2]" 3 92 1 70 ILE O 1 78 LEU N 3.200 2.700 3.200 3.188 2.962 3.339 0.139 12 0 "[ . 1 . 2]" 3 93 1 72 THR H 1 76 LYS O 2.020 . 2.020 1.886 1.664 2.026 0.156 4 0 "[ . 1 . 2]" 3 94 1 72 THR N 1 76 LYS O 3.020 2.520 3.020 2.842 2.639 2.954 . 0 0 "[ . 1 . 2]" 3 95 1 72 THR O 1 76 LYS H 3.560 3.360 3.560 3.129 2.950 3.296 0.410 8 0 "[ . 1 . 2]" 3 96 1 72 THR O 1 76 LYS N 4.560 4.060 4.560 3.964 3.795 4.114 0.265 4 0 "[ . 1 . 2]" 3 97 1 83 HIS H 1 90 VAL O 2.290 2.090 2.290 2.666 2.494 2.908 0.618 11 5 "[ ** *1+ . - 2]" 3 98 1 83 HIS N 1 90 VAL O 3.290 2.790 3.290 3.507 3.243 3.786 0.496 5 0 "[ . 1 . 2]" 3 99 1 83 HIS O 1 90 VAL H 2.070 . 2.070 2.133 1.925 2.350 0.280 20 0 "[ . 1 . 2]" 3 100 1 83 HIS O 1 90 VAL N 3.070 2.570 3.070 3.002 2.746 3.225 0.155 18 0 "[ . 1 . 2]" 3 101 1 85 ALA H 1 88 LYS O 1.820 . 1.820 2.106 1.909 2.312 0.492 6 0 "[ . 1 . 2]" 3 102 1 85 ALA N 1 88 LYS O 2.820 2.320 2.820 3.052 2.868 3.201 0.381 6 0 "[ . 1 . 2]" 3 103 1 85 ALA O 1 88 LYS H 2.280 2.080 2.280 2.462 1.890 2.842 0.562 4 3 "[ +. - . *]" 3 104 1 85 ALA O 1 88 LYS N 3.280 2.780 3.280 2.984 2.578 3.281 0.202 19 0 "[ . 1 . 2]" 3 105 1 89 LEU H 1 100 GLN O 2.080 . 2.080 3.013 2.695 3.249 1.169 9 20 [********+*****-*****] 3 106 1 89 LEU N 1 100 GLN O 3.080 2.580 3.080 3.537 3.294 3.682 0.602 2 8 "[ +**.* **1* - . 2]" 3 107 1 91 THR H 1 98 HIS O 2.160 . 2.160 1.978 1.760 2.281 0.200 13 0 "[ . 1 . 2]" 3 108 1 91 THR N 1 98 HIS O 3.160 2.660 3.160 2.781 2.646 3.010 0.014 13 0 "[ . 1 . 2]" 3 109 1 91 THR O 1 98 HIS H 2.450 2.250 2.450 2.359 2.017 2.785 0.335 2 0 "[ . 1 . 2]" 3 110 1 91 THR O 1 98 HIS N 3.450 2.950 3.450 2.973 2.711 3.176 0.239 5 0 "[ . 1 . 2]" 3 111 1 93 SER H 1 96 PHE O 1.800 . 1.800 2.629 2.417 2.973 1.173 2 20 [*+******-***********] 3 112 1 93 SER N 1 96 PHE O 2.800 2.300 2.800 3.095 2.999 3.283 0.483 2 0 "[ . 1 . 2]" 3 113 1 93 SER O 1 96 PHE H 3.390 3.190 3.390 3.523 3.240 3.754 0.364 4 0 "[ . 1 . 2]" 3 114 1 93 SER O 1 96 PHE N 4.390 3.890 4.390 4.480 4.173 4.725 0.335 4 0 "[ . 1 . 2]" 3 115 1 97 SER H 1 112 THR O 2.310 2.110 2.310 2.169 2.081 2.311 0.029 10 0 "[ . 1 . 2]" 3 116 1 97 SER N 1 112 THR O 3.310 2.810 3.310 3.136 3.048 3.282 . 0 0 "[ . 1 . 2]" 3 117 1 97 SER O 1 112 THR H 2.120 . 2.120 2.602 2.404 3.104 0.984 2 7 "[ + -* **** . 2]" 3 118 1 97 SER O 1 112 THR N 3.120 2.620 3.120 3.379 3.235 3.825 0.705 2 1 "[ + . 1 . 2]" 3 119 1 99 GLU H 1 110 THR O 2.230 2.030 2.230 2.054 1.874 2.218 0.156 12 0 "[ . 1 . 2]" 3 120 1 99 GLU N 1 110 THR O 3.230 2.730 3.230 2.734 2.575 2.848 0.155 12 0 "[ . 1 . 2]" 3 121 1 99 GLU O 1 110 THR H 1.830 . 1.830 1.506 1.383 1.664 0.247 10 0 "[ . 1 . 2]" 3 122 1 99 GLU O 1 110 THR N 2.830 2.330 2.830 2.426 2.269 2.613 0.061 12 0 "[ . 1 . 2]" 3 123 1 101 GLU H 1 108 VAL O 2.050 . 2.050 1.963 1.823 2.107 0.057 16 0 "[ . 1 . 2]" 3 124 1 101 GLU N 1 108 VAL O 3.050 2.550 3.050 2.834 2.733 2.923 . 0 0 "[ . 1 . 2]" 3 125 1 101 GLU O 1 108 VAL H 2.060 . 2.060 1.854 1.701 2.003 0.159 9 0 "[ . 1 . 2]" 3 126 1 101 GLU O 1 108 VAL N 3.060 2.560 3.060 2.825 2.672 2.981 . 0 0 "[ . 1 . 2]" 3 127 1 103 LYS H 1 106 GLU O 1.910 . 1.910 1.983 1.823 2.112 0.202 17 0 "[ . 1 . 2]" 3 128 1 103 LYS N 1 106 GLU O 2.910 2.410 2.910 2.937 2.788 3.049 0.139 14 0 "[ . 1 . 2]" 3 129 1 103 LYS O 1 106 GLU H 2.300 2.100 2.300 2.514 2.329 2.653 0.353 8 0 "[ . 1 . 2]" 3 130 1 103 LYS O 1 106 GLU N 3.300 2.800 3.300 3.470 3.277 3.618 0.318 8 0 "[ . 1 . 2]" 3 131 1 105 ASN O 1 124 ARG H 2.160 . 2.160 2.227 1.999 2.384 0.224 19 0 "[ . 1 . 2]" 3 132 1 105 ASN O 1 124 ARG N 3.160 2.660 3.160 3.151 2.918 3.305 0.145 19 0 "[ . 1 . 2]" 3 133 1 107 MET H 1 122 SER O 1.860 . 1.860 1.659 1.565 1.851 0.095 10 0 "[ . 1 . 2]" 3 134 1 107 MET N 1 122 SER O 2.860 2.360 2.860 2.543 2.468 2.702 . 0 0 "[ . 1 . 2]" 3 135 1 107 MET O 1 122 SER H 1.870 . 1.870 1.660 1.511 1.826 0.159 19 0 "[ . 1 . 2]" 3 136 1 107 MET O 1 122 SER N 2.870 2.370 2.870 2.612 2.435 2.759 . 0 0 "[ . 1 . 2]" 3 137 1 109 GLU H 1 120 ARG O 1.820 . 1.820 1.705 1.441 1.817 0.179 19 0 "[ . 1 . 2]" 3 138 1 109 GLU N 1 120 ARG O 2.820 2.320 2.820 2.654 2.408 2.765 . 0 0 "[ . 1 . 2]" 3 139 1 109 GLU O 1 120 ARG H 1.950 . 1.950 1.899 1.733 2.091 0.141 9 0 "[ . 1 . 2]" 3 140 1 109 GLU O 1 120 ARG N 2.950 2.450 2.950 2.814 2.654 2.936 . 0 0 "[ . 1 . 2]" 3 141 1 111 ILE H 1 118 LEU O 2.100 . 2.100 2.136 1.965 2.244 0.144 14 0 "[ . 1 . 2]" 3 142 1 111 ILE N 1 118 LEU O 3.100 2.600 3.100 3.060 2.915 3.152 0.052 9 0 "[ . 1 . 2]" 3 143 1 111 ILE O 1 118 LEU H 1.730 . 1.730 1.761 1.631 1.839 0.109 14 0 "[ . 1 . 2]" 3 144 1 111 ILE O 1 118 LEU N 2.730 2.230 2.730 2.718 2.581 2.796 0.066 14 0 "[ . 1 . 2]" 3 145 1 113 PHE H 1 116 VAL O 1.910 . 1.910 1.707 1.628 1.755 0.082 3 0 "[ . 1 . 2]" 3 146 1 113 PHE N 1 116 VAL O 2.910 2.410 2.910 2.648 2.572 2.698 . 0 0 "[ . 1 . 2]" 3 147 1 113 PHE O 1 116 VAL H 2.280 2.080 2.280 2.214 2.012 2.368 0.088 15 0 "[ . 1 . 2]" 3 148 1 113 PHE O 1 116 VAL N 3.280 2.780 3.280 3.086 2.887 3.263 . 0 0 "[ . 1 . 2]" 3 149 1 109 GLU OE1 1 120 ARG QH2 2.300 . 2.300 2.668 2.059 5.034 2.734 18 3 "[ . 1 - . +*2]" 3 150 1 109 GLU OE2 1 120 ARG QH2 2.300 . 2.300 2.662 2.067 5.267 2.967 18 3 "[ . 1 - . +*2]" 3 151 1 55 ARG QH1 2 1 JN3 O25 2.300 . 2.300 2.698 2.220 4.810 2.510 20 3 "[ * . 1 -. +]" 3 152 1 55 ARG QH1 2 1 JN3 O26 2.300 . 2.300 2.515 2.094 3.692 1.392 20 3 "[ * . 1 -. +]" 3 stop_ save_
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