data_5huz_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 5huz _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.428 ' HD3' ' H ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.964 0 N-CA-C 109.948 -0.389 . . . . 71.32 109.948 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.468 ' O ' ' HG2' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -72.8 -35.44 67.36 Favored 'General case' 0 C--O 1.209 -1.078 0 CA-C-O 118.464 -0.779 . . . . 75.21 109.825 175.205 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.455 HD22 ' HB2' ' B' ' 106' ' ' TYR . 15.1 tp -50.06 -49.19 52.06 Favored 'General case' 0 N--CA 1.492 1.637 0 C-N-CA 123.464 0.706 . . . . 72.21 110.355 -178.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 27.4 t80 -57.04 -55.7 31.3 Favored 'General case' 0 C--N 1.35 0.615 0 CA-C-N 113.771 -1.559 . . . . 75.05 110.694 174.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.5 mm-40 -63.75 -30.63 71.7 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 113.389 0.885 . . . . 73.24 113.389 -173.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.468 ' HG2' ' O ' ' A' ' 4' ' ' LYS . 7.3 mm-40 -69.02 -59.22 3.19 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 109.74 -0.467 . . . . 74.43 109.74 -176.295 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.491 HD12 ' CD1' ' B' ' 106' ' ' TYR . 9.9 mt -62.58 -41.8 93.48 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.078 0 C-N-CA 120.685 -0.406 . . . . 63.31 111.57 176.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.81 -33.85 76.52 Favored 'General case' 0 N--CA 1.492 1.657 0 C-N-CA 123.576 0.75 . . . . 65.42 111.382 -175.553 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.22 -37.32 80.72 Favored 'General case' 0 N--CA 1.481 1.121 0 N-CA-C 109.915 -0.402 . . . . 72.33 109.915 176.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -70.56 -36.57 73.71 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-N 115.972 -0.558 . . . . 74.13 109.711 175.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -65.2 -36.01 82.85 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 125.625 1.57 . . . . 74.23 109.66 178.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -65.03 -51.49 61.31 Favored 'General case' 0 C--N 1.353 0.722 0 C-N-CA 125.37 1.468 . . . . 71.11 110.243 174.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.7 ttpt -55.85 -47.56 77.06 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 124.141 0.9 . . . . 74.24 109.495 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.403 ' HB3' ' HB3' ' B' ' 116' ' ' LEU . 84.5 mt -61.42 -35.78 78.51 Favored 'General case' 0 C--N 1.352 0.715 0 O-C-N 124.846 1.341 . . . . 73.42 111.804 178.482 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.427 ' HA ' HD21 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -66.0 -39.98 90.76 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 123.11 0.564 . . . . 70.01 110.491 178.192 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.29 -57.98 3.96 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 115.45 -0.795 . . . . 63.45 110.204 -175.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.12 -33.34 73.22 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.772 0.829 . . . . 63.44 112.503 -177.185 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.427 HD21 ' HA ' ' A' ' 17' ' ' LYS . 0.8 OUTLIER -65.85 -44.55 85.13 Favored 'General case' 0 C--N 1.36 1.023 0 N-CA-C 108.958 -0.756 . . . . 75.44 108.958 177.244 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.462 ' O ' ' HG3' ' A' ' 25' ' ' MET . 31.9 t60 -59.25 -43.39 92.44 Favored 'General case' 0 C--N 1.361 1.086 0 O-C-N 124.169 0.918 . . . . 72.34 109.794 -178.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -62.65 -40.92 98.57 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 124.133 0.896 . . . . 73.43 111.264 176.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.544 HG21 ' ND2' ' B' ' 124' ' ' ASN . 30.3 m -70.02 -28.72 65.71 Favored 'General case' 0 C--N 1.356 0.87 0 O-C-N 123.622 0.576 . . . . 65.14 110.904 178.57 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.459 ' ND2' HG21 ' B' ' 123' ' ' THR . 0.9 OUTLIER -70.14 -52.59 22.36 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.277 0.631 . . . . 73.11 109.902 177.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.462 ' HG3' ' O ' ' A' ' 21' ' ' HIS . 37.4 mtp -62.96 -39.52 94.91 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.437 0.695 . . . . 73.44 112.452 179.357 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.506 ' HG2' ' HA ' ' A' ' 23' ' ' THR . 13.5 pt-20 -78.25 -24.32 46.94 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-O 119.424 -0.322 . . . . 74.5 110.37 -179.536 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.433 ' O ' ' HB3' ' A' ' 31' ' ' LYS . 41.8 tp -70.94 -40.85 71.82 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 109.451 -0.574 . . . . 74.21 109.451 171.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 71.2 m -67.31 -33.52 75.46 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 123.436 0.694 . . . . 73.23 110.151 177.268 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -62.57 -60.8 3.01 Favored 'General case' 0 C--N 1.357 0.93 0 N-CA-C 109.03 -0.73 . . . . 75.14 109.03 171.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.497 ' HA ' HE22 ' A' ' 33' ' ' GLN . 2.7 mm? -52.58 -44.0 65.63 Favored 'General case' 0 C--N 1.363 1.165 0 O-C-N 124.984 1.428 . . . . 74.41 111.421 -176.247 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.433 ' HB3' ' O ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -63.49 -51.37 65.88 Favored 'General case' 0 C--O 1.25 1.087 0 C-N-CA 125.185 1.394 . . . . 74.5 110.164 -178.512 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 66.8 tp -56.34 -64.46 0.86 Allowed 'General case' 0 C--N 1.351 0.642 0 O-C-N 124.717 1.26 . . . . 70.4 110.258 -176.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.497 HE22 ' HA ' ' A' ' 30' ' ' LEU . 1.3 pt20 -60.45 -39.35 87.22 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.799 0.84 . . . . 73.2 112.455 -177.774 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.494 HD23 HD23 ' B' ' 134' ' ' LEU . 1.3 tm? . . . . . 0 N--CA 1.485 1.289 0 CA-C-O 118.713 -0.66 . . . . 74.43 110.362 -175.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 102' ' ' PHE . . . . . 0.443 ' O ' ' HG ' ' B' ' 105' ' ' LEU . 91.6 m-85 . . . . . 0 N--CA 1.479 1.008 0 CA-C-O 121.037 0.446 . . . . 74.2 110.344 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 103' ' ' LYS . . . . . 0.487 ' HD3' ' N ' ' B' ' 104' ' ' LYS . 0.0 OUTLIER -57.73 -31.83 66.84 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 123.297 0.639 . . . . 74.32 110.011 178.075 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 104' ' ' LYS . . . . . 0.487 ' N ' ' HD3' ' B' ' 103' ' ' LYS . 0.0 OUTLIER -75.09 -36.88 61.68 Favored 'General case' 0 C--O 1.214 -0.815 0 CA-C-N 114.127 -1.397 . . . . 73.31 110.141 -177.891 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 105' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' B' ' 102' ' ' PHE . 0.7 OUTLIER -61.47 -40.98 96.49 Favored 'General case' 0 C--N 1.375 1.674 0 N-CA-C 108.266 -1.012 . . . . 75.55 108.266 -179.879 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 106' ' ' TYR . . . . . 0.491 ' CD1' HD12 ' A' ' 9' ' ' ILE . 40.6 t80 -56.46 -50.98 70.14 Favored 'General case' 0 C--N 1.37 1.461 0 CA-C-N 114.769 -1.105 . . . . 73.51 109.355 174.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -63.24 -40.06 96.38 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.119 0.968 . . . . 73.03 112.97 -177.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 108' ' ' GLN . . . . . 0.481 ' HG2' ' O ' ' B' ' 104' ' ' LYS . 11.2 mm-40 -68.53 -56.82 7.04 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 122.661 0.384 . . . . 73.11 110.545 -174.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 17.5 mt -67.17 -38.25 80.75 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.848 0 CA-C-N 115.647 -0.706 . . . . 74.33 110.86 -175.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -69.19 -38.09 78.47 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 123.488 0.715 . . . . 73.34 110.513 -179.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -61.42 -43.73 98.37 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 122.664 0.386 . . . . 72.12 110.318 175.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 112' ' ' GLU . . . . . 0.426 ' O ' ' HG ' ' B' ' 116' ' ' LEU . 42.7 tp10 -66.6 -40.09 88.69 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 114.9 -1.046 . . . . 71.51 110.746 175.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -65.55 -41.32 93.15 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 125.096 1.358 . . . . 73.14 110.711 -176.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -59.9 -50.27 74.45 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.456 1.102 . . . . 73.12 109.927 172.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 23.6 ttpt -58.14 -38.74 77.14 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 114.945 -1.025 . . . . 63.02 110.613 178.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 116' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' B' ' 112' ' ' GLU . 89.6 mt -69.05 -31.07 69.58 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.539 0.736 . . . . 73.02 111.241 -178.461 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 117' ' ' LYS . . . . . 0.494 ' HA ' HD23 ' B' ' 120' ' ' LEU . 0.3 OUTLIER -68.28 -39.48 82.1 Favored 'General case' 0 CA--C 1.557 1.248 0 C-N-CA 123.736 0.814 . . . . 74.42 109.123 175.183 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -75.41 -44.12 46.33 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.593 0.757 . . . . 74.43 111.497 -176.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 119' ' ' GLN . . . . . 0.42 ' HG3' ' HA ' ' B' ' 116' ' ' LEU . 5.2 pp0? -70.63 -36.06 73.25 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.353 0.661 . . . . 74.22 110.564 -176.171 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 120' ' ' LEU . . . . . 0.494 HD23 ' HA ' ' B' ' 117' ' ' LYS . 0.7 OUTLIER -63.5 -45.88 88.63 Favored 'General case' 0 C--N 1.36 1.063 0 N-CA-C 108.238 -1.023 . . . . 75.41 108.238 176.289 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 121' ' ' HIS . . . . . 0.493 ' O ' ' HG2' ' B' ' 125' ' ' MET . 23.9 t-80 -59.9 -38.72 83.08 Favored 'General case' 0 C--N 1.362 1.11 0 O-C-N 124.248 0.967 . . . . 73.32 110.447 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 122' ' ' ASP . . . . . 0.433 ' O ' ' HG3' ' B' ' 126' ' ' GLU . 38.6 t70 -64.83 -45.53 85.77 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.043 0.937 . . . . 73.14 110.383 179.624 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 123' ' ' THR . . . . . 0.459 HG21 ' ND2' ' A' ' 24' ' ' ASN . 18.4 m -69.18 -28.36 66.34 Favored 'General case' 0 CA--C 1.557 1.214 0 C-N-CA 124.237 1.015 . . . . 73.11 110.758 177.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 124' ' ' ASN . . . . . 0.544 ' ND2' HG21 ' A' ' 23' ' ' THR . 0.9 OUTLIER -72.04 -39.16 69.29 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.711 0.804 . . . . 75.44 110.506 175.678 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 125' ' ' MET . . . . . 0.493 ' HG2' ' O ' ' B' ' 121' ' ' HIS . 90.1 mmm -63.42 -38.67 92.03 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.104 0.562 . . . . 74.23 111.044 178.127 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 126' ' ' GLU . . . . . 0.433 ' HG3' ' O ' ' B' ' 122' ' ' ASP . 24.2 mt-10 -63.66 -46.95 83.28 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 109.314 -0.625 . . . . 74.41 109.314 173.769 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 127' ' ' LEU . . . . . 0.425 HD21 HG22 ' A' ' 23' ' ' THR . 44.4 tp -61.31 -31.28 71.13 Favored 'General case' 0 CA--C 1.557 1.219 0 C-N-CA 123.96 0.904 . . . . 75.21 111.576 179.122 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 128' ' ' THR . . . . . 0.511 ' HA ' ' HG3' ' B' ' 131' ' ' LYS . 62.5 m -78.85 -33.75 45.62 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 123.728 0.811 . . . . 73.53 110.221 179.111 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 129' ' ' ASP . . . . . 0.434 ' O ' ' HG3' ' B' ' 133' ' ' GLN . 19.3 t70 -63.52 -39.61 94.87 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.335 0.654 . . . . 72.44 109.267 171.27 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -73.54 -34.77 65.37 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.809 0.843 . . . . 75.45 112.648 -176.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 131' ' ' LYS . . . . . 0.511 ' HG3' ' HA ' ' B' ' 128' ' ' THR . 0.1 OUTLIER -74.34 -28.34 61.09 Favored 'General case' 0 N--CA 1.49 1.535 0 CA-C-N 118.432 0.56 . . . . 72.54 110.366 175.951 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 51.3 tp -68.77 -51.4 41.58 Favored 'General case' 0 C--N 1.352 0.691 0 O-C-N 123.837 0.711 . . . . 73.41 110.16 175.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 133' ' ' GLN . . . . . 0.434 ' HG3' ' O ' ' B' ' 129' ' ' ASP . 41.4 mt-30 -58.92 -32.13 69.28 Favored 'General case' 0 C--N 1.354 0.802 0 C-N-CA 122.933 0.493 . . . . 75.01 110.58 175.72 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 134' ' ' LEU . . . . . 0.494 HD23 HD23 ' A' ' 34' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.476 0.844 0 C-N-CA 124.238 1.015 . . . . 62.32 109.873 -178.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.561 ' HD3' ' H ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.545 0.754 0 CA-C-O 121.088 0.47 . . . . 75.24 110.247 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.561 ' H ' ' HD3' ' A' ' 3' ' ' LYS . 1.5 ptmt -81.81 -25.23 35.37 Favored 'General case' 0 C--O 1.213 -0.828 0 CA-C-N 115.31 -0.859 . . . . 70.21 110.802 -179.221 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 14.8 tp -56.33 -47.54 78.56 Favored 'General case' 0 C--O 1.258 1.54 0 CA-C-O 121.882 0.849 . . . . 74.11 109.161 175.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 22.4 t80 -54.24 -57.07 12.57 Favored 'General case' 0 C--N 1.351 0.661 0 CA-C-N 113.023 -1.899 . . . . 75.31 110.148 173.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -65.52 -32.06 73.46 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 113.948 1.092 . . . . 74.43 113.948 -170.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.411 ' HG2' ' O ' ' A' ' 4' ' ' LYS . 4.8 mm-40 -67.11 -52.11 45.91 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 122.668 0.387 . . . . 74.11 111.604 -178.705 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.464 HD11 ' CD1' ' B' ' 106' ' ' TYR . 17.7 mt -65.84 -40.54 87.89 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.925 0 C-N-CA 120.576 -0.45 . . . . 71.43 110.283 173.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.86 -25.68 67.31 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 123.769 0.828 . . . . 74.21 111.077 -177.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.69 -51.14 45.0 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.211 0.604 . . . . 71.01 109.811 175.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.446 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 34.4 tp10 -62.26 -34.4 76.48 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 115.393 -0.821 . . . . 75.31 110.077 174.571 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -66.62 -44.89 80.82 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 124.951 1.3 . . . . 64.35 110.787 -177.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -61.5 -49.08 78.18 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.785 0.834 . . . . 73.43 109.741 175.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 25.2 ttpt -55.85 -45.5 78.45 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 114.825 -1.08 . . . . 75.1 110.519 179.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 12' ' ' GLU . 87.4 mt -70.71 -29.38 65.64 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 115.359 -0.837 . . . . 74.42 111.074 -177.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.32 -37.14 82.83 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 123.713 0.633 . . . . 74.43 110.0 175.616 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.28 -52.99 9.54 Favored 'General case' 0 C--N 1.349 0.558 0 CA-C-N 114.981 -1.009 . . . . 65.43 110.987 -174.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.5 pp0? -67.19 -30.74 70.77 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-O 118.548 -0.739 . . . . 60.53 111.681 -178.15 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.38 -45.92 71.44 Favored 'General case' 0 N--CA 1.485 1.323 0 N-CA-C 109.214 -0.661 . . . . 74.44 109.214 174.792 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 65.1 t60 -56.06 -46.31 78.98 Favored 'General case' 0 N--CA 1.476 0.842 0 O-C-N 124.139 0.9 . . . . 65.51 109.492 178.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -64.48 -47.3 79.47 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 114.055 -1.43 . . . . 72.3 110.841 -179.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.582 HG21 HG21 ' B' ' 123' ' ' THR . 47.1 m -71.05 -26.5 63.11 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 122.713 0.405 . . . . 74.25 111.214 -177.76 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.475 ' ND2' HG22 ' B' ' 123' ' ' THR . 1.3 m-80 -72.69 -41.2 65.58 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 122.641 0.376 . . . . 70.43 110.098 176.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.479 ' HA ' ' HE1' ' A' ' 25' ' ' MET . 12.3 mmt -68.86 -39.45 79.87 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 122.874 0.47 . . . . 75.44 111.364 -179.427 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.54 ' HG2' ' HA ' ' A' ' 23' ' ' THR . 16.5 pt-20 -79.61 -21.41 44.96 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-O 119.449 -0.31 . . . . 65.23 110.656 179.429 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.7 tt -65.51 -54.4 28.74 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.617 0.767 . . . . 64.11 109.023 169.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 18.4 m -58.59 -37.97 76.93 Favored 'General case' 0 C--O 1.248 1.014 0 C-N-CA 123.869 0.868 . . . . 73.34 110.483 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.464 ' O ' ' HG2' ' A' ' 33' ' ' GLN . 15.8 t70 -63.7 -54.1 40.85 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 114.847 -1.069 . . . . 62.34 109.846 175.396 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.518 HD21 HD13 ' B' ' 127' ' ' LEU . 1.6 mp -60.47 -35.91 77.01 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 123.984 0.802 . . . . 64.43 112.081 -172.272 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.42 ' HE2' ' HB2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -78.93 -33.55 45.32 Favored 'General case' 0 N--CA 1.479 1.014 0 O-C-N 123.499 0.5 . . . . 73.32 111.266 -179.682 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 56.6 tp -62.47 -57.13 12.32 Favored 'General case' 0 C--N 1.353 0.728 0 C-N-CA 123.014 0.526 . . . . 72.51 109.609 177.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.464 ' HG2' ' O ' ' A' ' 29' ' ' ASP . 8.1 pt20 -63.84 -34.04 77.04 Favored 'General case' 0 CA--C 1.551 1.005 0 CA-C-N 115.619 -0.718 . . . . 74.21 110.893 179.141 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.492 HD11 HD23 ' B' ' 134' ' ' LEU . 24.3 tp . . . . . 0 C--N 1.365 1.271 0 C-N-CA 124.226 1.011 . . . . 73.43 110.669 177.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 102' ' ' PHE . . . . . 0.528 ' HD2' HD21 ' B' ' 105' ' ' LEU . 94.0 m-85 . . . . . 0 C--O 1.247 0.94 0 N-CA-C 111.817 0.303 . . . . 71.43 111.817 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.13 -38.28 73.23 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-O 121.32 0.581 . . . . 73.43 109.948 175.649 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 104' ' ' LYS . . . . . 0.447 ' O ' ' HG2' ' B' ' 108' ' ' GLN . 0.0 OUTLIER -68.43 -41.44 80.34 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-N 114.831 -1.077 . . . . 75.4 110.463 -179.625 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 105' ' ' LEU . . . . . 0.528 HD21 ' HD2' ' B' ' 102' ' ' PHE . 0.5 OUTLIER -58.69 -44.03 90.14 Favored 'General case' 0 C--N 1.366 1.323 0 N-CA-C 108.991 -0.744 . . . . 75.43 108.991 -176.192 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 106' ' ' TYR . . . . . 0.464 ' CD1' HD11 ' A' ' 9' ' ' ILE . 37.0 t80 -57.62 -51.85 67.82 Favored 'General case' 0 C--N 1.361 1.071 0 O-C-N 124.614 1.196 . . . . 75.43 110.023 178.069 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -65.18 -38.08 89.37 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 113.186 0.81 . . . . 75.14 113.186 -176.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 108' ' ' GLN . . . . . 0.447 ' HG2' ' O ' ' B' ' 104' ' ' LYS . 9.1 mm-40 -66.98 -54.98 16.54 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 122.651 0.38 . . . . 60.34 110.758 -175.608 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 18.0 mt -65.69 -38.34 82.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 CA-C-N 116.446 -0.343 . . . . 72.52 110.443 -179.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.73 -31.46 70.54 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.208 0.603 . . . . 75.25 110.51 179.699 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.88 -46.84 80.09 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 122.678 0.391 . . . . 75.31 110.13 175.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 112' ' ' GLU . . . . . 0.479 ' O ' ' HG ' ' B' ' 116' ' ' LEU . 42.4 tp10 -62.52 -44.9 95.22 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.113 0.565 . . . . 72.52 109.852 174.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -66.0 -37.14 85.16 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 124.74 1.216 . . . . 75.23 110.895 -175.042 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -60.73 -48.9 79.71 Favored 'General case' 0 C--O 1.251 1.155 0 C-N-CA 125.019 1.328 . . . . 72.41 109.547 174.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 30.1 ttpt -58.25 -44.17 88.2 Favored 'General case' 0 C--N 1.347 0.457 0 CA-C-N 114.592 -1.185 . . . . 74.23 109.704 175.153 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 116' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' B' ' 112' ' ' GLU . 92.6 mt -61.97 -32.01 72.41 Favored 'General case' 0 C--N 1.355 0.826 0 O-C-N 124.039 0.837 . . . . 75.32 111.44 -175.158 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 117' ' ' LYS . . . . . 0.575 ' HA ' HD21 ' B' ' 120' ' ' LEU . 54.9 mtmt -75.56 -38.79 58.98 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 116.183 -0.462 . . . . 73.15 110.706 177.676 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -72.25 -40.48 67.66 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 122.907 0.483 . . . . 60.34 111.489 -178.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -75.87 -36.93 59.36 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.486 0.714 . . . . 72.52 110.341 -176.468 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 120' ' ' LEU . . . . . 0.575 HD21 ' HA ' ' B' ' 117' ' ' LYS . 0.4 OUTLIER -65.88 -43.23 88.91 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 109.055 -0.72 . . . . 74.25 109.055 176.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 51.0 t-80 -60.98 -40.19 92.49 Favored 'General case' 0 C--N 1.349 0.584 0 O-C-N 124.161 0.913 . . . . 73.35 109.797 -177.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 122' ' ' ASP . . . . . 0.458 ' O ' ' HG3' ' B' ' 126' ' ' GLU . 11.5 t70 -64.06 -48.56 75.78 Favored 'General case' 0 CA--C 1.551 0.982 0 O-C-N 124.324 1.015 . . . . 72.23 109.901 176.402 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 123' ' ' THR . . . . . 0.582 HG21 HG21 ' A' ' 23' ' ' THR . 55.4 m -63.31 -33.47 75.59 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 124.467 1.107 . . . . 70.31 111.417 -179.324 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 124' ' ' ASN . . . . . 0.562 ' ND2' HG22 ' A' ' 23' ' ' THR . 1.0 OUTLIER -78.4 -32.46 48.77 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.555 0.742 . . . . 75.11 109.748 -177.669 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 125' ' ' MET . . . . . . . . . . . . . 84.0 mmm -65.4 -38.0 88.66 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.22 0.608 . . . . 75.32 111.283 171.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 126' ' ' GLU . . . . . 0.458 ' HG3' ' O ' ' B' ' 122' ' ' ASP . 29.9 mt-10 -63.81 -47.52 80.5 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 109.347 -0.612 . . . . 73.04 109.347 174.8 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 127' ' ' LEU . . . . . 0.518 HD13 HD21 ' A' ' 30' ' ' LEU . 44.4 tp -58.67 -43.78 90.01 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 124.337 1.055 . . . . 74.33 111.659 178.517 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 128' ' ' THR . . . . . . . . . . . . . 89.3 m -64.62 -38.88 92.51 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.698 0.799 . . . . 72.43 110.299 178.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 129' ' ' ASP . . . . . 0.459 ' O ' ' HG3' ' B' ' 133' ' ' GLN . 35.6 t70 -67.85 -36.77 80.91 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 114.828 -1.078 . . . . 71.2 110.375 177.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 130' ' ' LEU . . . . . 0.438 ' HG ' ' O ' ' B' ' 126' ' ' GLU . 80.7 mt -68.66 -47.57 66.2 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.559 0.744 . . . . 73.24 110.942 -177.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 131' ' ' LYS . . . . . 0.549 ' HA ' ' HG ' ' B' ' 134' ' ' LEU . 0.1 OUTLIER -61.28 -40.39 93.97 Favored 'General case' 0 N--CA 1.483 1.189 0 N-CA-C 108.419 -0.956 . . . . 74.4 108.419 178.689 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 1.3 tt -59.84 -38.98 83.59 Favored 'General case' 0 C--O 1.246 0.875 0 C-N-CA 125.291 1.436 . . . . 74.22 111.213 176.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 133' ' ' GLN . . . . . 0.459 ' HG3' ' O ' ' B' ' 129' ' ' ASP . 45.9 mt-30 -72.96 -26.39 61.35 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 115.887 -0.597 . . . . 73.1 111.179 176.722 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 134' ' ' LEU . . . . . 0.549 ' HG ' ' HA ' ' B' ' 131' ' ' LYS . 15.0 mt . . . . . 0 N--CA 1.5 2.058 0 N-CA-C 109.51 -0.552 . . . . 75.54 109.51 175.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.071 0 N-CA-C 109.5 -0.556 . . . . 74.24 109.5 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.44 ' O ' ' HG2' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -82.22 -25.78 33.87 Favored 'General case' 0 C--O 1.212 -0.875 0 CA-C-N 115.599 -0.728 . . . . 72.11 110.369 -179.331 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 16.5 tp -52.21 -46.26 65.57 Favored 'General case' 0 N--CA 1.493 1.697 0 CA-C-O 121.386 0.612 . . . . 71.41 110.573 174.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -56.95 -53.87 53.07 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-N 113.9 -1.5 . . . . 72.41 109.622 173.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -57.24 -31.78 65.88 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 124.703 1.201 . . . . 72.21 113.066 -178.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.44 ' HG2' ' O ' ' A' ' 4' ' ' LYS . 12.0 mm-40 -65.6 -69.99 0.26 Allowed 'General case' 0 N--CA 1.481 1.121 0 O-C-N 123.353 0.408 . . . . 74.32 111.153 -179.166 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.41 HD13 ' CE2' ' B' ' 106' ' ' TYR . 22.6 mt -59.81 -36.62 67.29 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 O-C-N 123.517 0.511 . . . . 75.12 110.863 -178.311 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.5 -31.79 72.17 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.485 0.714 . . . . 75.22 110.8 -179.184 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.99 -47.43 86.47 Favored 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 109.842 -0.429 . . . . 73.12 109.842 176.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.439 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 30.2 tp10 -74.5 -32.05 62.38 Favored 'General case' 0 C--O 1.215 -0.725 0 CA-C-N 115.593 -0.73 . . . . 65.34 110.795 178.803 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -66.49 -49.86 65.18 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.985 0.914 . . . . 75.53 110.357 -177.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -54.01 -48.07 70.84 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.758 1.223 . . . . 63.43 110.449 171.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.8 ttpt -60.84 -42.01 96.94 Favored 'General case' 0 C--N 1.348 0.536 0 O-C-N 124.238 0.961 . . . . 73.21 110.911 -179.005 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 12' ' ' GLU . 79.2 mt -68.11 -29.15 68.0 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.446 0.699 . . . . 65.4 110.893 -178.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.426 ' HE3' ' HB3' ' A' ' 17' ' ' LYS . 0.7 OUTLIER -74.79 -31.65 61.79 Favored 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 123.523 0.729 . . . . 75.24 110.42 173.665 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.63 -44.82 48.65 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.392 0.677 . . . . 72.35 110.701 -178.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -77.05 -28.6 54.84 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.572 0.749 . . . . 71.5 111.755 -178.51 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.61 -40.73 92.97 Favored 'General case' 0 C--N 1.364 1.219 0 N-CA-C 108.291 -1.003 . . . . 75.24 108.291 172.295 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 29.5 t60 -54.21 -49.37 69.57 Favored 'General case' 0 C--N 1.357 0.932 0 O-C-N 124.124 0.89 . . . . 73.31 109.945 176.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -53.3 -56.19 18.57 Favored 'General case' 0 N--CA 1.479 0.976 0 O-C-N 123.849 0.718 . . . . 71.42 111.182 177.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.594 HG23 HG23 ' B' ' 123' ' ' THR . 41.7 m -70.5 -27.61 64.33 Favored 'General case' 0 CA--C 1.548 0.869 0 O-C-N 124.012 0.82 . . . . 75.05 112.3 -173.552 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.509 ' ND2' HG21 ' B' ' 123' ' ' THR . 1.0 OUTLIER -70.3 -46.26 64.64 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 123.057 0.543 . . . . 71.04 109.771 177.834 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 32.8 mmt -66.17 -52.46 48.0 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 115.381 -0.827 . . . . 73.23 110.897 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.514 ' HG2' ' HA ' ' A' ' 23' ' ' THR . 13.3 pt-20 -69.35 -18.72 63.83 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 122.674 0.39 . . . . 73.3 111.443 -177.734 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.435 ' HB2' ' O ' ' A' ' 23' ' ' THR . 7.7 tt -67.13 -48.17 68.9 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 108.893 -0.78 . . . . 55.25 108.893 169.644 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 35.0 m -59.42 -40.76 87.73 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 123.91 0.884 . . . . 71.44 110.013 -179.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -58.04 -58.48 8.22 Favored 'General case' 0 C--N 1.348 0.523 0 CA-C-N 115.064 -0.971 . . . . 75.04 110.522 170.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.557 ' O ' ' HB2' ' A' ' 34' ' ' LEU . 2.2 mm? -61.34 -31.39 71.26 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.866 0.866 . . . . 74.3 112.7 -171.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.0 -34.01 26.42 Favored 'General case' 0 N--CA 1.483 1.175 0 CA-C-N 118.41 0.55 . . . . 72.43 110.181 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.7 tp -64.27 -52.56 58.01 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 123.358 0.663 . . . . 74.22 110.074 178.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -69.63 -32.01 70.46 Favored 'General case' 0 C--O 1.252 1.199 0 CA-C-N 115.421 -0.809 . . . . 75.24 111.107 179.63 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.557 ' HB2' ' O ' ' A' ' 30' ' ' LEU . 2.9 tm? . . . . . 0 C--N 1.359 1.0 0 O-C-N 123.563 0.54 . . . . 73.02 109.707 177.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 102' ' ' PHE . . . . . 0.426 ' HD2' HD22 ' B' ' 105' ' ' LEU . 96.2 m-85 . . . . . 0 N--CA 1.478 0.956 0 CA-C-O 120.864 0.364 . . . . 73.1 110.949 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.4 -31.67 66.07 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-O 121.761 0.791 . . . . 74.12 110.288 176.036 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 104' ' ' LYS . . . . . 0.434 ' O ' ' HG2' ' B' ' 108' ' ' GLN . 0.0 OUTLIER -70.65 -39.2 73.75 Favored 'General case' 0 C--O 1.214 -0.778 0 CA-C-N 114.208 -1.36 . . . . 74.43 110.599 178.303 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 105' ' ' LEU . . . . . 0.426 HD22 ' HD2' ' B' ' 102' ' ' PHE . 0.5 OUTLIER -59.73 -41.4 90.8 Favored 'General case' 0 C--N 1.375 1.715 0 N-CA-C 108.637 -0.875 . . . . 73.13 108.637 -178.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 106' ' ' TYR . . . . . 0.41 ' CE2' HD13 ' A' ' 9' ' ' ILE . 34.3 t80 -55.73 -51.79 66.14 Favored 'General case' 0 C--N 1.357 0.904 0 O-C-N 124.907 1.379 . . . . 75.0 109.297 176.614 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -64.64 -36.37 84.03 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 113.428 0.899 . . . . 73.31 113.428 -178.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 108' ' ' GLN . . . . . 0.434 ' HG2' ' O ' ' B' ' 104' ' ' LYS . 9.1 mm-40 -66.74 -59.14 3.83 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 122.717 0.407 . . . . 74.12 110.698 -175.618 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 18.5 mt -63.7 -36.89 78.14 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.812 0 O-C-N 123.943 0.777 . . . . 74.34 110.259 -177.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -68.79 -36.78 78.69 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 123.597 0.759 . . . . 73.51 110.628 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -61.61 -43.45 98.84 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 122.605 0.362 . . . . 74.34 110.551 177.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 112' ' ' GLU . . . . . 0.447 ' O ' ' HG ' ' B' ' 116' ' ' LEU . 6.3 tp10 -66.45 -45.07 81.03 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 115.381 -0.827 . . . . 72.41 110.371 175.705 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -61.01 -35.8 77.81 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 124.903 1.281 . . . . 74.41 110.822 -177.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 114' ' ' GLU . . . . . 0.67 ' HA ' ' HE2' ' B' ' 117' ' ' LYS . 2.6 tt0 -64.77 -50.71 65.73 Favored 'General case' 0 C--O 1.25 1.087 0 C-N-CA 124.794 1.237 . . . . 60.24 110.043 177.445 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 23.9 ttpt -54.92 -41.58 71.18 Favored 'General case' 0 C--N 1.349 0.576 0 O-C-N 124.237 0.961 . . . . 75.41 110.02 174.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 116' ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' B' ' 112' ' ' GLU . 93.7 mt -66.0 -32.25 73.62 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 115.252 -0.886 . . . . 75.51 112.036 -176.12 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 117' ' ' LYS . . . . . 0.67 ' HE2' ' HA ' ' B' ' 114' ' ' GLU . 46.4 mtmt -66.04 -45.32 81.84 Favored 'General case' 0 N--CA 1.482 1.138 0 CA-C-O 121.277 0.56 . . . . 73.4 110.116 174.61 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -67.99 -48.76 64.89 Favored 'General case' 0 C--O 1.241 0.64 0 CA-C-N 115.299 -0.864 . . . . 61.2 111.102 -175.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -66.96 -37.09 83.63 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 123.457 0.703 . . . . 73.13 111.155 -175.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 1.1 pp -64.89 -42.08 95.08 Favored 'General case' 0 C--N 1.36 1.053 0 N-CA-C 109.351 -0.611 . . . . 75.12 109.351 178.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 121' ' ' HIS . . . . . 0.491 ' O ' ' HG2' ' B' ' 125' ' ' MET . 34.5 t-80 -60.22 -42.51 95.34 Favored 'General case' 0 C--N 1.358 0.965 0 O-C-N 124.008 0.817 . . . . 72.51 109.961 179.106 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -61.47 -48.81 79.41 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 124.03 0.932 . . . . 72.11 111.149 178.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 123' ' ' THR . . . . . 0.594 HG23 HG23 ' A' ' 23' ' ' THR . 17.8 m -63.84 -31.98 73.35 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 123.738 0.815 . . . . 71.51 110.687 179.059 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 124' ' ' ASN . . . . . 0.524 ' ND2' HG21 ' A' ' 23' ' ' THR . 1.0 OUTLIER -72.47 -35.42 68.21 Favored 'General case' 0 C--N 1.351 0.633 0 CA-C-N 115.644 -0.707 . . . . 52.54 110.134 177.855 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 125' ' ' MET . . . . . 0.491 ' HG2' ' O ' ' B' ' 121' ' ' HIS . 87.8 mmm -63.97 -39.24 93.68 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.171 0.588 . . . . 75.34 112.237 177.01 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 126' ' ' GLU . . . . . 0.474 ' O ' ' HG ' ' B' ' 130' ' ' LEU . 19.3 mt-10 -65.95 -46.38 78.34 Favored 'General case' 0 C--N 1.349 0.571 0 O-C-N 123.702 0.626 . . . . 65.44 109.348 176.735 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 127' ' ' LEU . . . . . 0.459 HD21 HG22 ' A' ' 23' ' ' THR . 41.3 tp -60.62 -37.45 81.48 Favored 'General case' 0 CA--C 1.556 1.199 0 C-N-CA 123.914 0.886 . . . . 75.55 111.235 179.044 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 128' ' ' THR . . . . . . . . . . . . . 29.1 m -67.11 -41.29 86.48 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.429 1.092 . . . . 71.22 110.107 176.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -66.78 -32.74 74.23 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-N 115.267 -0.879 . . . . 74.54 110.668 179.045 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 130' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' B' ' 126' ' ' GLU . 95.5 mt -71.85 -46.63 57.35 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.446 0.698 . . . . 73.25 111.866 -177.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.91 -32.43 72.05 Favored 'General case' 0 N--CA 1.486 1.362 0 CA-C-O 120.933 0.397 . . . . 71.42 110.249 179.261 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 35.1 tp -69.6 -41.4 75.79 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 116.085 -0.507 . . . . 74.23 110.561 176.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 133' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -69.51 -20.88 63.71 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 122.686 0.394 . . . . 75.21 110.94 174.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 17.1 tp . . . . . 0 N--CA 1.475 0.79 0 C-N-CA 123.498 0.719 . . . . 74.11 110.449 -178.908 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.475 0.779 0 N-CA-C 109.711 -0.477 . . . . 74.25 109.711 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.411 ' O ' ' HG2' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -78.3 -22.52 48.07 Favored 'General case' 0 C--O 1.215 -0.73 0 N-CA-C 109.386 -0.598 . . . . 74.24 109.386 -178.13 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 24.3 tp -54.32 -41.93 69.57 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.767 0.827 . . . . 73.51 109.957 172.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -55.43 -56.14 23.64 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-N 114.319 -1.31 . . . . 74.14 109.416 171.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.78 -31.65 64.86 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 113.199 0.814 . . . . 73.51 113.199 179.613 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.411 ' HG2' ' O ' ' A' ' 4' ' ' LYS . 10.1 mm-40 -64.11 -69.31 0.29 Allowed 'General case' 0 N--CA 1.48 1.025 0 O-C-N 123.29 0.369 . . . . 71.34 110.959 -178.17 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.521 HD11 ' CD2' ' B' ' 106' ' ' TYR . 15.4 mt -59.33 -40.76 82.24 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 O-C-N 123.006 0.191 . . . . 74.42 111.011 179.546 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.41 -28.19 69.07 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 123.704 0.801 . . . . 74.32 110.983 -177.069 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.57 -50.18 70.5 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 122.748 0.419 . . . . 74.22 110.202 174.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -70.13 -31.31 68.78 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 116.04 -0.527 . . . . 72.01 110.767 177.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -64.92 -41.61 95.41 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 124.094 0.958 . . . . 71.42 109.812 179.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -57.82 -51.0 71.38 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.864 1.266 . . . . 74.24 110.002 173.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.8 ttpt -57.37 -45.59 84.25 Favored 'General case' 0 C--O 1.22 -0.484 0 CA-C-N 114.777 -1.102 . . . . 74.11 110.221 178.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.47 ' HB3' ' HB3' ' B' ' 116' ' ' LEU . 82.1 mt -64.83 -32.83 74.71 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 123.933 0.893 . . . . 65.32 111.251 -174.268 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 50.7 mtmt -68.74 -38.47 80.17 Favored 'General case' 0 N--CA 1.472 0.673 0 O-C-N 123.464 0.478 . . . . 73.12 110.569 174.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.7 -53.54 21.54 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 115.85 -0.614 . . . . 73.44 110.903 -176.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.422 ' OE1' HD21 ' B' ' 120' ' ' LEU . 0.4 OUTLIER -68.72 -32.25 71.9 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.054 0.941 . . . . 74.51 112.797 -177.194 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.36 -42.99 87.23 Favored 'General case' 0 C--N 1.356 0.861 0 N-CA-C 108.617 -0.883 . . . . 75.41 108.617 174.714 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 57.2 t-80 -62.06 -37.82 86.45 Favored 'General case' 0 C--N 1.355 0.843 0 O-C-N 123.969 0.793 . . . . 75.55 110.138 -178.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -59.62 -52.28 66.19 Favored 'General case' 0 C--N 1.353 0.744 0 O-C-N 123.831 0.707 . . . . 73.43 110.429 172.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.547 HG21 HG23 ' B' ' 123' ' ' THR . 21.4 m -66.92 -27.34 67.41 Favored 'General case' 0 CA--C 1.547 0.851 0 O-C-N 123.829 0.706 . . . . 73.51 112.373 -176.445 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.527 ' ND2' HG21 ' B' ' 123' ' ' THR . 0.9 OUTLIER -75.35 -43.1 52.38 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.178 0.591 . . . . 75.5 109.769 177.578 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.28 -38.74 85.56 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.96 -0.563 . . . . 75.23 111.691 179.589 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.531 ' HG2' ' HA ' ' A' ' 23' ' ' THR . 13.3 pt-20 -80.23 -19.55 46.63 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 123.595 0.559 . . . . 74.45 110.376 178.717 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.533 HD21 HG22 ' B' ' 123' ' ' THR . 50.5 tp -69.89 -50.6 40.79 Favored 'General case' 0 C--N 1.353 0.721 0 C-N-CA 123.025 0.53 . . . . 71.51 109.765 171.283 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 88.7 m -63.57 -41.39 98.39 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.053 0.941 . . . . 63.43 110.407 179.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.521 ' HB3' ' HA ' ' A' ' 26' ' ' GLU . 2.6 t70 -58.18 -52.98 63.31 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 114.281 -1.327 . . . . 72.33 109.978 173.52 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.43 ' HB2' ' O ' ' A' ' 26' ' ' GLU . 0.5 OUTLIER -58.19 -48.76 79.32 Favored 'General case' 0 C--N 1.355 0.831 0 O-C-N 124.204 0.94 . . . . 70.23 111.658 -174.794 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.5 -32.87 72.0 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 123.55 0.531 . . . . 74.52 111.609 -176.672 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.2 tt -60.11 -60.44 3.82 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.225 1.01 . . . . 74.51 110.613 178.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.504 ' HG2' ' O ' ' A' ' 29' ' ' ASP . 7.2 pt20 -68.07 -36.6 80.09 Favored 'General case' 0 CA--C 1.552 1.037 0 CA-C-N 115.282 -0.872 . . . . 74.0 110.611 -179.364 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 37.7 tp . . . . . 0 N--CA 1.479 1.0 0 C-N-CA 123.899 0.88 . . . . 74.23 110.449 179.528 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 102' ' ' PHE . . . . . 0.46 ' HD2' HD21 ' B' ' 105' ' ' LEU . 96.5 m-85 . . . . . 0 N--CA 1.473 0.714 0 N-CA-C 111.794 0.294 . . . . 74.31 111.794 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.0 -34.46 71.88 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 108.924 -0.769 . . . . 72.41 108.924 174.633 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 104' ' ' LYS . . . . . 0.486 ' O ' ' HG2' ' B' ' 108' ' ' GLN . 0.0 OUTLIER -62.58 -41.65 99.07 Favored 'General case' 0 C--N 1.362 1.122 0 CA-C-N 115.024 -0.989 . . . . 75.41 110.816 176.253 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 105' ' ' LEU . . . . . 0.46 HD21 ' HD2' ' B' ' 102' ' ' PHE . 0.5 OUTLIER -60.77 -41.85 96.31 Favored 'General case' 0 C--N 1.377 1.782 0 N-CA-C 109.109 -0.701 . . . . 74.14 109.109 -178.095 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 106' ' ' TYR . . . . . 0.521 ' CD2' HD11 ' A' ' 9' ' ' ILE . 39.5 t80 -57.39 -46.62 83.25 Favored 'General case' 0 C--N 1.36 1.053 0 O-C-N 124.366 1.041 . . . . 74.53 109.277 178.203 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -66.88 -39.7 87.57 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.063 0.945 . . . . 73.31 112.376 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 108' ' ' GLN . . . . . 0.486 ' HG2' ' O ' ' B' ' 104' ' ' LYS . 11.9 mm-40 -67.83 -58.49 4.51 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 122.992 0.517 . . . . 75.45 111.169 -175.166 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 18.6 mt -69.14 -37.3 76.35 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.617 0 CA-C-N 115.617 -0.719 . . . . 73.13 110.654 -174.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 110' ' ' LEU . . . . . 0.515 ' HB2' HD12 ' A' ' 9' ' ' ILE . 19.6 tp -74.14 -27.78 61.02 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 122.593 0.357 . . . . 72.54 111.518 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -62.89 -45.64 91.58 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 109.592 -0.521 . . . . 73.44 109.592 171.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 112' ' ' GLU . . . . . 0.425 ' O ' ' HG ' ' B' ' 116' ' ' LEU . 5.8 tp10 -64.68 -45.24 87.51 Favored 'General case' 0 C--O 1.216 -0.702 0 CA-C-N 115.152 -0.931 . . . . 72.32 110.017 176.683 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -59.84 -40.71 89.43 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 125.11 1.364 . . . . 72.31 110.694 -177.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -59.32 -54.17 49.87 Favored 'General case' 0 C--O 1.243 0.758 0 C-N-CA 124.319 1.048 . . . . 74.15 110.008 175.312 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 26.2 ttpt -56.17 -41.57 75.69 Favored 'General case' 0 C--O 1.218 -0.582 0 O-C-N 124.253 0.971 . . . . 74.22 110.298 178.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 116' ' ' LEU . . . . . 0.47 ' HB3' ' HB3' ' A' ' 16' ' ' LEU . 90.9 mt -64.78 -30.86 71.88 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 123.994 0.809 . . . . 71.44 111.463 -176.291 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 117' ' ' LYS . . . . . 0.423 ' HA ' HD23 ' B' ' 120' ' ' LEU . 54.3 mtmt -75.08 -35.69 61.8 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-O 120.787 0.327 . . . . 72.14 111.002 175.032 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -71.5 -42.23 68.29 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.492 0.717 . . . . 74.41 111.223 -179.286 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -76.43 -36.01 58.23 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.511 0.724 . . . . 74.44 110.765 -174.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 120' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' B' ' 117' ' ' LYS . 1.2 pp -64.22 -43.99 93.29 Favored 'General case' 0 C--N 1.363 1.183 0 N-CA-C 108.627 -0.879 . . . . 75.12 108.627 176.328 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 -56.63 -46.57 80.9 Favored 'General case' 0 C--N 1.363 1.153 0 O-C-N 124.08 0.862 . . . . 73.12 110.686 179.059 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -63.48 -45.32 91.28 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 124.038 0.836 . . . . 72.43 111.292 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 123' ' ' THR . . . . . 0.547 HG23 HG21 ' A' ' 23' ' ' THR . 37.5 m -69.97 -25.51 63.65 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 123.25 0.62 . . . . 74.22 111.399 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 124' ' ' ASN . . . . . 0.501 ' ND2' HG22 ' A' ' 23' ' ' THR . 0.9 OUTLIER -71.26 -36.21 71.66 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 109.403 -0.591 . . . . 73.32 109.403 172.807 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 125' ' ' MET . . . . . . . . . . . . . 2.5 mmt -68.65 -38.8 80.73 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.262 0.625 . . . . 74.41 110.948 177.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -61.45 -44.75 96.55 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.356 0.662 . . . . 72.15 109.589 174.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 46.0 tp -62.89 -39.86 95.77 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 124.408 1.083 . . . . 73.34 110.864 178.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 128' ' ' THR . . . . . . . . . . . . . 86.2 m -64.31 -35.96 82.55 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.056 0.942 . . . . 74.24 110.434 177.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -65.34 -46.53 79.87 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 115.255 -0.884 . . . . 74.41 110.274 178.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 130' ' ' LEU . . . . . 0.428 HD13 HD13 ' A' ' 27' ' ' LEU . 68.0 mt -69.75 -34.12 73.37 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.276 0.63 . . . . 73.44 111.624 -178.533 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.27 -33.15 67.25 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 109.023 -0.732 . . . . 75.13 109.023 -179.063 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 56.0 tp -64.96 -47.75 76.52 Favored 'General case' 0 C--N 1.356 0.877 0 C-N-CA 123.611 0.764 . . . . 73.45 109.312 173.07 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 133' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -63.63 -28.8 70.16 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 115.644 -0.707 . . . . 72.13 111.331 178.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 22.4 tp . . . . . 0 C--O 1.25 1.122 0 CA-C-O 121.829 0.823 . . . . 75.1 110.104 -178.279 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.544 0.731 0 N-CA-C 109.307 -0.627 . . . . 64.11 109.307 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.464 ' HE3' ' HG2' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -75.78 -28.86 58.56 Favored 'General case' 0 C--N 1.361 1.097 0 CA-C-O 119.022 -0.513 . . . . 75.5 110.092 179.239 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 24.5 tp -56.77 -48.55 77.61 Favored 'General case' 0 N--CA 1.483 1.208 0 O-C-N 123.419 0.449 . . . . 72.53 109.952 175.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 20.1 t80 -54.57 -52.93 60.57 Favored 'General case' 0 C--N 1.358 0.95 0 O-C-N 124.544 1.153 . . . . 74.33 109.763 175.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -65.28 -34.34 78.11 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 115.022 -0.99 . . . . 74.13 113.436 -173.029 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.464 ' HG2' ' HE3' ' A' ' 4' ' ' LYS . 5.8 mm-40 -69.55 -55.01 11.34 Favored 'General case' 0 N--CA 1.488 1.425 0 CA-C-N 118.068 0.394 . . . . 74.52 111.01 -177.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.42 HD12 ' CD2' ' B' ' 106' ' ' TYR . 3.5 mt -58.93 -47.14 90.61 Favored 'Isoleucine or valine' 0 C--N 1.366 1.307 0 O-C-N 123.452 0.47 . . . . 73.14 110.042 176.762 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -65.27 -30.71 71.6 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 124.584 1.153 . . . . 73.54 111.095 -174.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.84 -39.82 76.19 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 122.513 0.325 . . . . 70.3 110.338 175.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 20.9 tp10 -73.12 -31.8 64.53 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 123.581 0.752 . . . . 73.32 110.497 176.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -74.07 -44.43 54.18 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 124.923 1.289 . . . . 74.44 109.104 -175.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -65.99 -42.9 89.2 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 114.696 -1.138 . . . . 74.35 109.947 174.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.2 ttpt -52.67 -49.42 65.29 Favored 'General case' 0 CA--C 1.544 0.719 0 O-C-N 123.85 0.719 . . . . 75.15 110.555 174.34 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 92.3 mt -66.03 -29.44 69.8 Favored 'General case' 0 N--CA 1.477 0.881 0 O-C-N 124.154 0.909 . . . . 73.23 111.424 179.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.621 ' HA ' HD21 ' A' ' 20' ' ' LEU . 0.3 OUTLIER -72.79 -32.86 65.89 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 123.236 0.614 . . . . 73.31 110.776 174.605 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.88 -50.8 18.54 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.352 0.661 . . . . 74.14 110.247 -177.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -66.86 -34.97 78.96 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.155 0.582 . . . . 73.21 111.478 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.621 HD21 ' HA ' ' A' ' 17' ' ' LYS . 0.4 OUTLIER -63.65 -41.98 98.17 Favored 'General case' 0 C--N 1.364 1.205 0 N-CA-C 109.036 -0.727 . . . . 75.54 109.036 175.9 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.472 ' O ' ' HG2' ' A' ' 25' ' ' MET . 38.9 t-80 -58.94 -50.23 74.85 Favored 'General case' 0 C--N 1.354 0.779 0 O-C-N 123.96 0.788 . . . . 74.24 110.294 -178.289 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.407 ' O ' ' HG2' ' A' ' 26' ' ' GLU . 3.2 m-20 -58.9 -42.59 89.97 Favored 'General case' 0 N--CA 1.48 1.075 0 O-C-N 123.988 0.805 . . . . 72.14 111.369 176.065 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.577 HG21 ' ND2' ' B' ' 124' ' ' ASN . 81.4 m -65.7 -31.57 72.64 Favored 'General case' 0 CA--C 1.552 1.044 0 O-C-N 123.999 0.812 . . . . 74.21 111.412 -179.518 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.456 ' ND2' HG22 ' B' ' 123' ' ' THR . 5.3 m-80 -74.8 -39.12 61.89 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.554 0.742 . . . . 64.34 110.324 177.669 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.472 ' HG2' ' O ' ' A' ' 21' ' ' HIS . 90.6 mmm -65.25 -45.19 85.56 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.191 0.596 . . . . 73.55 111.024 178.036 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.407 ' HG2' ' O ' ' A' ' 22' ' ' ASP . 14.8 pt-20 -76.29 -23.92 54.39 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 116.394 -0.366 . . . . 73.35 110.941 179.459 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.4 tt -63.89 -43.14 96.9 Favored 'General case' 0 C--N 1.357 0.892 0 N-CA-C 107.877 -1.157 . . . . 74.32 107.877 169.274 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 27.9 m -65.43 -39.4 92.05 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.343 0.657 . . . . 74.5 111.23 179.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.421 ' O ' ' HG3' ' A' ' 33' ' ' GLN . 12.6 t70 -62.25 -59.25 5.3 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.241 0.617 . . . . 71.13 109.338 179.775 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.599 HD22 HD23 ' B' ' 127' ' ' LEU . 9.6 mp -53.05 -54.23 38.5 Favored 'General case' 0 C--O 1.207 -1.142 0 O-C-N 124.909 1.381 . . . . 72.41 110.069 -179.479 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 53.5 tptt -46.58 -55.23 7.94 Favored 'General case' 0 C--O 1.248 1.008 0 C-N-CA 125.87 1.668 . . . . 75.21 112.279 177.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 60.6 tp -62.45 -66.19 0.58 Allowed 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 114.988 -1.006 . . . . 71.42 111.372 -172.205 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.435 ' NE2' ' HA ' ' A' ' 30' ' ' LEU . 2.7 pp0? -71.56 -20.64 61.99 Favored 'General case' 0 CA--C 1.546 0.827 0 N-CA-C 112.297 0.48 . . . . 75.04 112.297 -174.528 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 21.1 tp . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 118.884 -0.579 . . . . 74.23 110.289 171.642 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 102' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 . . . . . 0 C--O 1.248 0.993 0 CA-C-O 121.107 0.48 . . . . 72.04 110.465 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 103' ' ' LYS . . . . . 0.413 ' O ' ' HG2' ' B' ' 107' ' ' GLU . 0.0 OUTLIER -59.38 -31.47 69.26 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 109.215 -0.661 . . . . 74.41 109.215 173.268 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 104' ' ' LYS . . . . . 0.481 ' O ' ' HG2' ' B' ' 108' ' ' GLN . 0.0 OUTLIER -73.57 -31.39 63.59 Favored 'General case' 0 C--O 1.213 -0.835 0 CA-C-N 114.45 -1.25 . . . . 75.31 110.812 -179.233 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.04 -41.87 99.6 Favored 'General case' 0 C--N 1.369 1.435 0 N-CA-C 107.557 -1.275 . . . . 74.23 107.557 175.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 106' ' ' TYR . . . . . 0.42 ' CD2' HD12 ' A' ' 9' ' ' ILE . 21.0 t80 -61.47 -40.98 96.48 Favored 'General case' 0 C--N 1.359 0.979 0 CA-C-N 114.802 -1.09 . . . . 73.32 109.595 176.236 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 107' ' ' GLU . . . . . 0.413 ' HG2' ' O ' ' B' ' 103' ' ' LYS . 28.5 mm-40 -64.69 -46.79 80.9 Favored 'General case' 0 C--N 1.352 0.681 0 C-N-CA 122.945 0.498 . . . . 74.32 112.059 178.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 108' ' ' GLN . . . . . 0.481 ' HG2' ' O ' ' B' ' 104' ' ' LYS . 14.5 mm-40 -62.89 -58.01 8.86 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 123.051 0.54 . . . . 75.33 110.965 -172.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 12.9 mt -70.26 -39.57 76.94 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.844 0 CA-C-N 115.242 -0.89 . . . . 70.41 110.794 -172.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -73.18 -32.15 64.66 Favored 'General case' 0 N--CA 1.491 1.581 0 C-N-CA 122.911 0.484 . . . . 74.3 110.699 -178.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -68.26 -39.39 82.23 Favored 'General case' 0 N--CA 1.487 1.42 0 CA-C-N 118.0 0.363 . . . . 72.13 110.17 175.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 112' ' ' GLU . . . . . 0.4 ' O ' ' HG ' ' B' ' 116' ' ' LEU . 4.8 tp10 -66.49 -40.75 89.46 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 115.378 -0.828 . . . . 74.34 109.921 173.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -64.65 -36.27 83.72 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 124.841 1.256 . . . . 74.51 110.601 -178.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -61.27 -51.92 66.91 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.413 1.085 . . . . 75.43 109.71 172.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 16.6 ttpt -59.14 -34.66 72.33 Favored 'General case' 0 C--N 1.349 0.571 0 CA-C-N 115.111 -0.949 . . . . 74.24 110.266 177.353 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 116' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' B' ' 112' ' ' GLU . 74.7 mt -67.24 -33.49 75.44 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.536 0.734 . . . . 72.32 111.491 -178.677 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -70.06 -38.98 75.92 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 110.065 -0.346 . . . . 75.43 110.065 174.142 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -69.78 -43.75 71.5 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 123.734 0.813 . . . . 53.3 111.466 -176.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -74.54 -38.18 62.82 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.505 -0.77 . . . . 74.3 110.28 -176.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.88 -36.58 80.5 Favored 'General case' 0 C--N 1.363 1.177 0 N-CA-C 108.927 -0.768 . . . . 73.43 108.927 -178.782 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 121' ' ' HIS . . . . . 0.561 ' O ' ' HG2' ' B' ' 125' ' ' MET . 41.5 t-80 -56.62 -53.75 53.98 Favored 'General case' 0 C--N 1.359 1.007 0 N-CA-C 108.694 -0.854 . . . . 71.54 108.694 175.349 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 122' ' ' ASP . . . . . 0.4 ' O ' ' HG3' ' B' ' 126' ' ' GLU . 32.7 t70 -54.21 -48.41 71.05 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 124.451 1.095 . . . . 71.43 112.04 178.796 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 123' ' ' THR . . . . . 0.557 HG21 HG23 ' A' ' 23' ' ' THR . 7.0 m -68.13 -33.02 73.71 Favored 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 123.551 0.741 . . . . 73.11 110.688 -176.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 124' ' ' ASN . . . . . 0.577 ' ND2' HG21 ' A' ' 23' ' ' THR . 0.9 OUTLIER -75.51 -30.16 59.73 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.65 0.78 . . . . 74.43 110.707 178.47 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 125' ' ' MET . . . . . 0.561 ' HG2' ' O ' ' B' ' 121' ' ' HIS . 93.7 mmm -68.89 -42.29 77.16 Favored 'General case' 0 C--N 1.353 0.722 0 C-N-CA 122.564 0.346 . . . . 72.02 110.485 175.589 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 126' ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' B' ' 122' ' ' ASP . 14.6 mt-10 -67.45 -37.8 83.51 Favored 'General case' 0 N--CA 1.476 0.864 0 O-C-N 123.42 0.45 . . . . 71.24 109.808 177.316 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 127' ' ' LEU . . . . . 0.599 HD23 HD22 ' A' ' 30' ' ' LEU . 3.0 tm? -60.74 -47.95 84.0 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 123.948 0.899 . . . . 75.53 110.509 177.639 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 128' ' ' THR . . . . . 0.515 ' HA ' ' HG2' ' B' ' 131' ' ' LYS . 87.8 m -68.42 -30.82 69.8 Favored 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 123.666 0.786 . . . . 74.11 110.688 178.769 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -68.89 -49.16 60.57 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.196 0.598 . . . . 73.31 109.558 178.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 130' ' ' LEU . . . . . 0.509 ' HB3' ' HB3' ' A' ' 30' ' ' LEU . 97.4 mt -65.54 -35.92 82.28 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.625 0.77 . . . . 65.51 110.976 -178.201 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 131' ' ' LYS . . . . . 0.515 ' HG2' ' HA ' ' B' ' 128' ' ' THR . 10.3 pttp -71.77 -28.34 63.56 Favored 'General case' 0 C--N 1.365 1.248 0 O-C-N 123.374 0.421 . . . . 72.04 110.188 178.097 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 32.1 tp -64.07 -52.27 60.1 Favored 'General case' 0 C--N 1.351 0.671 0 O-C-N 123.767 0.667 . . . . 71.53 109.797 177.002 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 133' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -70.82 -21.1 62.5 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-N 116.718 -0.219 . . . . 71.42 111.506 176.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 134' ' ' LEU . . . . . 0.42 HD21 HE21 ' A' ' 33' ' ' GLN . 0.2 OUTLIER . . . . . 0 N--CA 1.482 1.165 0 N-CA-C 107.711 -1.218 . . . . 74.0 107.711 172.659 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.443 ' HD3' ' H ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.474 0.737 0 CA-C-O 121.322 0.582 . . . . 74.14 109.914 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.443 ' H ' ' HD3' ' A' ' 3' ' ' LYS . 0.1 OUTLIER -83.83 -26.23 29.7 Favored 'General case' 0 C--O 1.213 -0.862 0 CA-C-N 114.984 -1.007 . . . . 71.12 109.42 179.012 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 20.6 tp -55.87 -45.43 78.54 Favored 'General case' 0 C--N 1.364 1.209 0 N-CA-C 109.628 -0.508 . . . . 74.21 109.628 173.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -54.61 -53.45 54.52 Favored 'General case' 0 C--N 1.358 0.957 0 O-C-N 124.747 1.279 . . . . 73.24 109.512 173.097 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -58.81 -35.58 73.1 Favored 'General case' 0 N--CA 1.472 0.641 0 O-C-N 124.52 1.138 . . . . 74.44 112.924 -177.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.414 ' HG2' ' O ' ' A' ' 4' ' ' LYS . 8.6 mm-40 -64.25 -64.55 0.85 Allowed 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 123.144 0.578 . . . . 72.1 111.057 -176.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.519 HD13 ' CD1' ' B' ' 106' ' ' TYR . 14.1 mt -59.9 -40.64 83.42 Favored 'Isoleucine or valine' 0 C--N 1.358 0.947 0 CA-C-O 119.558 -0.258 . . . . 75.31 111.224 177.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.75 -30.68 70.96 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 123.406 0.682 . . . . 74.33 110.959 -176.394 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.4 -44.85 93.49 Favored 'General case' 0 N--CA 1.48 1.073 0 N-CA-C 109.653 -0.499 . . . . 64.0 109.653 175.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.448 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 2.9 tp10 -69.66 -36.6 76.19 Favored 'General case' 0 C--O 1.211 -0.97 0 CA-C-N 115.051 -0.977 . . . . 73.13 110.385 176.738 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -66.34 -46.58 76.32 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 125.001 1.32 . . . . 75.34 110.307 -175.109 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -58.9 -47.92 83.27 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.689 1.196 . . . . 65.02 109.966 173.093 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.9 ttpt -58.83 -40.58 84.6 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 123.949 0.781 . . . . 73.42 110.852 178.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.491 ' HB3' ' HB3' ' B' ' 116' ' ' LEU . 86.6 mt -68.82 -30.16 68.65 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.606 0.762 . . . . 75.01 110.84 -177.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.35 -33.06 67.01 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 123.244 0.617 . . . . 74.54 109.91 174.061 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.82 -58.67 3.85 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 116.059 -0.519 . . . . 75.54 110.343 179.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -64.91 -28.21 69.38 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.642 0.777 . . . . 75.15 112.661 -177.124 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.427 ' HB3' HE21 ' B' ' 119' ' ' GLN . 0.9 OUTLIER -67.01 -44.41 80.37 Favored 'General case' 0 C--N 1.359 1.015 0 N-CA-C 109.401 -0.592 . . . . 75.31 109.401 171.89 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -55.6 -36.41 66.89 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 123.829 0.852 . . . . 73.21 110.419 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -64.11 -56.49 14.51 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.823 0.849 . . . . 72.14 111.284 171.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.512 HG21 HG23 ' B' ' 123' ' ' THR . 6.8 m -67.66 -24.58 65.45 Favored 'General case' 0 N--CA 1.481 1.099 0 N-CA-C 111.892 0.33 . . . . 71.25 111.892 -173.73 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.567 ' ND2' HG21 ' B' ' 123' ' ' THR . 1.1 m-80 -80.17 -41.53 25.14 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.863 0.865 . . . . 73.44 110.292 -178.332 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 23.8 ptp -66.63 -46.05 77.06 Favored 'General case' 0 C--N 1.356 0.856 0 CA-C-O 119.341 -0.361 . . . . 74.5 110.146 178.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.427 ' HG3' HD13 ' B' ' 127' ' ' LEU . 12.7 pt-20 -71.74 -25.61 62.13 Favored 'General case' 0 C--O 1.211 -0.942 0 C-N-CA 122.844 0.458 . . . . 74.12 110.544 -177.444 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.5 tt -60.64 -51.27 70.11 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 109.381 -0.6 . . . . 72.0 109.381 171.105 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.0 m -64.26 -43.72 93.96 Favored 'General case' 0 CA--C 1.544 0.713 0 O-C-N 124.011 0.82 . . . . 73.22 111.101 -176.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -59.66 -57.27 13.66 Favored 'General case' 0 C--N 1.355 0.806 0 O-C-N 124.031 0.832 . . . . 72.13 109.974 176.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -48.62 -47.45 40.17 Favored 'General case' 0 N--CA 1.484 1.261 0 O-C-N 124.955 1.41 . . . . 74.24 111.784 179.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.2 tptt -58.94 -47.01 86.58 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 124.986 1.314 . . . . 72.24 110.584 -179.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 56.0 tp -64.35 -62.06 1.84 Allowed 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 115.134 -0.939 . . . . 74.21 110.046 -173.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.12 -39.46 78.75 Favored 'General case' 0 C--O 1.247 0.928 0 CA-C-N 115.25 -0.886 . . . . 75.53 111.249 179.102 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 29.0 tp . . . . . 0 C--O 1.247 0.965 0 C-N-CA 123.826 0.85 . . . . 73.1 111.089 -178.621 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 102' ' ' PHE . . . . . 0.534 ' HD1' HD21 ' B' ' 105' ' ' LEU . 96.7 m-85 . . . . . 0 C--O 1.246 0.901 0 N-CA-C 113.691 0.997 . . . . 75.04 113.691 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.53 -36.55 74.03 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 109.578 -0.527 . . . . 75.3 109.578 173.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 104' ' ' LYS . . . . . 0.423 ' O ' ' HG2' ' B' ' 108' ' ' GLN . 0.1 OUTLIER -65.48 -37.62 87.38 Favored 'General case' 0 C--N 1.361 1.085 0 CA-C-O 118.48 -0.771 . . . . 72.31 111.24 178.095 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 105' ' ' LEU . . . . . 0.534 HD21 ' HD1' ' B' ' 102' ' ' PHE . 0.4 OUTLIER -60.65 -44.38 96.47 Favored 'General case' 0 C--N 1.378 1.811 0 N-CA-C 108.616 -0.883 . . . . 73.34 108.616 -177.772 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 106' ' ' TYR . . . . . 0.519 ' CD1' HD13 ' A' ' 9' ' ' ILE . 46.0 t80 -57.66 -47.92 80.94 Favored 'General case' 0 C--N 1.364 1.199 0 O-C-N 124.355 1.034 . . . . 65.42 109.653 179.327 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -66.87 -39.77 87.64 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 124.184 0.927 . . . . 72.33 112.881 -176.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 108' ' ' GLN . . . . . 0.423 ' HG2' ' O ' ' B' ' 104' ' ' LYS . 7.5 mm-40 -67.08 -53.43 31.0 Favored 'General case' 0 N--CA 1.486 1.331 0 O-C-N 123.381 0.426 . . . . 73.5 110.753 -176.252 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 13.8 mt -70.27 -38.72 75.35 Favored 'Isoleucine or valine' 0 C--N 1.352 0.714 0 O-C-N 123.73 0.644 . . . . 72.52 110.495 -175.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -70.05 -30.66 67.98 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 123.325 0.65 . . . . 73.43 110.378 179.715 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -65.32 -45.99 82.07 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 122.628 0.371 . . . . 63.24 110.011 173.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 38.4 tp10 -68.93 -33.48 73.8 Favored 'General case' 0 C--O 1.215 -0.757 0 CA-C-N 115.775 -0.648 . . . . 73.4 110.425 177.235 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -69.18 -38.24 78.58 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 124.772 1.229 . . . . 74.4 109.775 -179.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -61.3 -49.94 74.99 Favored 'General case' 0 C--N 1.352 0.715 0 C-N-CA 124.605 1.162 . . . . 73.3 109.391 172.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 14.6 ttpt -56.84 -42.8 80.32 Favored 'General case' 0 C--O 1.216 -0.663 0 O-C-N 124.327 1.017 . . . . 75.1 110.142 178.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 116' ' ' LEU . . . . . 0.491 ' HB3' ' HB3' ' A' ' 16' ' ' LEU . 92.5 mt -68.67 -35.03 76.7 Favored 'General case' 0 C--N 1.349 0.572 0 C-N-CA 124.001 0.92 . . . . 72.44 111.086 -178.505 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 117' ' ' LYS . . . . . 0.468 ' HD3' HD21 ' B' ' 120' ' ' LEU . 0.8 OUTLIER -68.45 -37.27 80.07 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-O 121.492 0.663 . . . . 74.55 110.727 175.942 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -77.73 -40.47 41.05 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 114.904 -1.044 . . . . 71.04 111.182 -175.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 119' ' ' GLN . . . . . 0.427 HE21 ' HB3' ' A' ' 20' ' ' LEU . 5.3 pp0? -71.02 -39.27 72.44 Favored 'General case' 0 C--O 1.219 -0.532 0 N-CA-C 109.941 -0.392 . . . . 73.24 109.941 -178.493 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 120' ' ' LEU . . . . . 0.468 HD21 ' HD3' ' B' ' 117' ' ' LYS . 1.2 pp -65.73 -38.35 88.89 Favored 'General case' 0 C--N 1.361 1.088 0 N-CA-C 109.487 -0.56 . . . . 74.54 109.487 178.796 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 4.9 t-80 -51.81 -56.46 13.8 Favored 'General case' 0 C--N 1.357 0.899 0 C-N-CA 123.506 0.722 . . . . 73.1 110.853 172.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 122' ' ' ASP . . . . . 0.497 ' O ' ' HG2' ' B' ' 126' ' ' GLU . 1.6 m-20 -60.7 -44.12 96.94 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 123.982 0.801 . . . . 74.32 111.22 -179.449 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 123' ' ' THR . . . . . 0.567 HG21 ' ND2' ' A' ' 24' ' ' ASN . 42.1 m -65.29 -29.56 70.34 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 124.005 0.922 . . . . 72.35 111.554 -178.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 124' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -78.51 -34.21 47.5 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.76 0.824 . . . . 64.21 110.85 176.15 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 125' ' ' MET . . . . . . . . . . . . . 88.4 mmm -65.65 -33.82 76.77 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 122.833 0.453 . . . . 74.53 110.383 172.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 126' ' ' GLU . . . . . 0.497 ' HG2' ' O ' ' B' ' 122' ' ' ASP . 14.2 mm-40 -70.98 -47.76 57.07 Favored 'General case' 0 C--O 1.215 -0.731 0 C-N-CA 123.046 0.538 . . . . 75.3 109.931 174.572 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 127' ' ' LEU . . . . . 0.427 HD13 ' HG3' ' A' ' 26' ' ' GLU . 65.1 tp -53.65 -43.95 69.21 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 122.647 0.379 . . . . 70.25 110.757 175.681 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 128' ' ' THR . . . . . . . . . . . . . 33.0 m -62.71 -37.27 85.86 Favored 'General case' 0 C--N 1.355 0.844 0 C-N-CA 123.714 0.806 . . . . 75.41 110.358 175.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -66.44 -47.53 72.87 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 123.908 0.883 . . . . 72.51 111.436 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 130' ' ' LEU . . . . . 0.454 HD21 ' O ' ' B' ' 126' ' ' GLU . 1.2 mm? -64.22 -47.38 79.9 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 122.929 0.492 . . . . 75.11 111.203 -179.148 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.16 -30.47 69.59 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 116.187 -0.46 . . . . 75.31 110.242 -177.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 55.2 tp -65.76 -40.54 92.17 Favored 'General case' 0 C--N 1.359 0.999 0 C-N-CA 123.316 0.646 . . . . 71.52 110.181 177.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 133' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -74.88 -21.27 59.33 Favored 'General case' 0 C--O 1.218 -0.589 0 CA-C-N 116.024 -0.535 . . . . 72.12 110.42 177.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 14.9 tp . . . . . 0 N--CA 1.488 1.467 0 C-N-CA 123.536 0.735 . . . . 74.53 110.597 178.883 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.556 1.211 0 N-CA-C 109.561 -0.533 . . . . 74.33 109.561 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.21 -27.87 60.99 Favored 'General case' 0 C--N 1.36 1.03 0 CA-C-N 115.342 -0.844 . . . . 74.22 110.599 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.428 HD23 ' HB2' ' B' ' 106' ' ' TYR . 25.4 tp -58.36 -42.39 86.81 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-O 121.353 0.597 . . . . 73.43 109.947 178.447 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -55.31 -54.3 45.25 Favored 'General case' 0 C--N 1.349 0.58 0 CA-C-N 113.568 -1.651 . . . . 75.32 109.9 172.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -58.53 -35.95 73.1 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.253 1.021 . . . . 62.35 112.823 -176.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -64.09 -62.68 1.47 Allowed 'General case' 0 N--CA 1.481 1.111 0 O-C-N 123.521 0.513 . . . . 74.24 111.326 -176.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.519 HD13 ' CD1' ' B' ' 106' ' ' TYR . 7.9 mt -62.12 -47.2 94.27 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.84 0 O-C-N 123.532 0.52 . . . . 74.04 111.104 178.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.548 ' HA ' ' HB3' ' A' ' 13' ' ' ASN . 0.7 OUTLIER -64.35 -26.2 68.37 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 124.192 0.997 . . . . 71.32 110.964 -175.901 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.11 -49.0 76.15 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 110.172 -0.307 . . . . 74.31 110.172 173.144 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.492 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 38.1 tt0 -71.35 -33.39 69.55 Favored 'General case' 0 C--O 1.205 -1.253 0 CA-C-N 115.954 -0.567 . . . . 71.4 110.231 177.572 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.548 ' HB3' ' HA ' ' A' ' 10' ' ' LEU . 24.6 t-20 -70.83 -44.29 66.81 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 124.366 1.066 . . . . 75.5 110.724 -173.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -64.37 -43.06 95.68 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.595 0.758 . . . . 72.22 109.384 173.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.0 ttpt -56.65 -43.44 80.32 Favored 'General case' 0 C--O 1.214 -0.799 0 O-C-N 124.019 0.824 . . . . 64.24 110.241 175.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.494 ' HB3' ' HB3' ' B' ' 116' ' ' LEU . 84.4 mt -66.76 -34.06 76.99 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.963 0.905 . . . . 74.35 110.901 -178.09 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.56 -37.22 84.5 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 123.561 0.744 . . . . 72.24 109.426 174.04 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.62 -55.97 6.04 Favored 'General case' 0 C--N 1.346 0.42 0 CA-C-N 115.943 -0.571 . . . . 64.43 110.34 -175.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -67.46 -30.28 69.95 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 124.342 1.057 . . . . 73.41 112.184 -175.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.13 -42.29 80.42 Favored 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 108.368 -0.975 . . . . 65.51 108.368 174.516 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.453 ' O ' ' HG2' ' A' ' 25' ' ' MET . 54.6 t-80 -59.1 -44.26 91.94 Favored 'General case' 0 C--N 1.36 1.035 0 O-C-N 124.225 0.953 . . . . 73.55 109.405 179.626 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -59.8 -51.04 71.43 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 123.941 0.776 . . . . 74.25 110.25 175.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.544 HG22 HG22 ' B' ' 123' ' ' THR . 39.5 m -61.6 -30.45 70.69 Favored 'General case' 0 C--N 1.355 0.847 0 O-C-N 124.098 0.874 . . . . 72.04 111.672 -176.338 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.479 ' ND2' HG23 ' B' ' 123' ' ' THR . 5.9 m-80 -77.45 -42.87 34.37 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.133 0.973 . . . . 74.11 110.675 177.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.453 ' HG2' ' O ' ' A' ' 21' ' ' HIS . 86.2 mmm -63.73 -38.83 92.57 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.116 0.567 . . . . 70.43 111.337 177.614 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.421 ' HA ' ' HB3' ' A' ' 29' ' ' ASP . 10.5 pt-20 -85.88 -20.09 29.59 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 123.853 0.721 . . . . 73.54 110.671 -178.062 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.449 ' HB2' ' O ' ' A' ' 23' ' ' THR . 7.3 tt -66.44 -47.95 71.53 Favored 'General case' 0 C--N 1.354 0.764 0 N-CA-C 108.816 -0.809 . . . . 74.12 108.816 168.472 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 24.6 m -73.97 -29.91 62.23 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 123.56 0.744 . . . . 73.42 110.804 -176.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.421 ' HB3' ' HA ' ' A' ' 26' ' ' GLU . 24.5 t70 -61.8 -59.81 4.59 Favored 'General case' 0 C--O 1.242 0.668 0 C-N-CA 124.06 0.944 . . . . 74.2 109.439 172.312 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.519 ' HB3' ' HB3' ' B' ' 130' ' ' LEU . 8.5 mp -56.84 -41.27 77.58 Favored 'General case' 0 C--O 1.205 -1.287 0 O-C-N 124.45 1.094 . . . . 74.12 111.292 178.456 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 38.8 tptt -53.05 -53.43 50.3 Favored 'General case' 0 C--O 1.26 1.644 0 C-N-CA 125.143 1.377 . . . . 74.43 111.437 177.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 36.2 tp -60.25 -57.99 10.44 Favored 'General case' 0 C--O 1.244 0.796 0 CA-C-N 114.291 -1.322 . . . . 75.4 110.386 -173.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -66.14 -32.8 74.47 Favored 'General case' 0 CA--C 1.55 0.945 0 CA-C-N 115.193 -0.912 . . . . 75.21 111.923 -179.003 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.453 ' HB2' ' O ' ' A' ' 30' ' ' LEU . 1.5 tm? . . . . . 0 N--CA 1.483 1.214 0 N-CA-C 109.081 -0.711 . . . . 70.13 109.081 -175.15 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 102' ' ' PHE . . . . . 0.416 ' HD2' HD22 ' B' ' 105' ' ' LEU . 89.7 m-85 . . . . . 0 N--CA 1.474 0.747 0 N-CA-C 113.312 0.856 . . . . 73.13 113.312 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.41 -34.69 74.31 Favored 'General case' 0 C--N 1.354 0.78 0 N-CA-C 110.131 -0.322 . . . . 74.01 110.131 177.206 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 104' ' ' LYS . . . . . 0.439 ' O ' ' HG2' ' B' ' 108' ' ' GLN . 0.0 OUTLIER -64.19 -39.37 93.86 Favored 'General case' 0 C--N 1.362 1.126 0 CA-C-O 118.261 -0.876 . . . . 74.34 110.922 176.277 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 105' ' ' LEU . . . . . 0.416 HD22 ' HD2' ' B' ' 102' ' ' PHE . 0.3 OUTLIER -59.28 -43.31 92.56 Favored 'General case' 0 C--N 1.374 1.633 0 N-CA-C 108.167 -1.049 . . . . 75.42 108.167 -177.861 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 106' ' ' TYR . . . . . 0.519 ' CD1' HD13 ' A' ' 9' ' ' ILE . 41.7 t80 -56.5 -56.05 26.11 Favored 'General case' 0 C--N 1.363 1.176 0 O-C-N 124.744 1.277 . . . . 74.11 109.428 177.542 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -63.49 -37.65 88.11 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.106 0.962 . . . . 72.11 113.147 -172.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 108' ' ' GLN . . . . . 0.439 ' HG2' ' O ' ' B' ' 104' ' ' LYS . 9.6 mm-40 -70.31 -55.76 8.39 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 122.355 0.262 . . . . 61.45 111.272 -176.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 28.4 mt -61.19 -38.65 80.2 Favored 'Isoleucine or valine' 0 C--N 1.363 1.172 0 O-C-N 123.613 0.571 . . . . 75.31 110.125 178.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 110' ' ' LEU . . . . . 0.469 ' HA ' ' HB3' ' B' ' 113' ' ' ASN . 2.1 tm? -71.82 -31.18 66.28 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 123.985 0.914 . . . . 74.52 110.612 -178.394 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -62.33 -46.37 89.03 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 110.079 -0.341 . . . . 74.53 110.079 174.114 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 112' ' ' GLU . . . . . 0.42 ' O ' ' HG ' ' B' ' 116' ' ' LEU . 3.1 tp10 -66.99 -42.37 85.18 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-N 115.63 -0.714 . . . . 75.45 110.513 176.554 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 113' ' ' ASN . . . . . 0.469 ' HB3' ' HA ' ' B' ' 110' ' ' LEU . 26.0 t-20 -63.09 -45.77 90.52 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 125.328 1.451 . . . . 65.45 111.302 -176.014 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -55.19 -49.39 72.05 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.934 1.293 . . . . 73.43 110.304 171.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 17.4 ttpt -62.17 -36.87 83.2 Favored 'General case' 0 C--N 1.349 0.558 0 CA-C-N 115.16 -0.927 . . . . 74.34 110.454 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 116' ' ' LEU . . . . . 0.494 ' HB3' ' HB3' ' A' ' 16' ' ' LEU . 81.4 mt -71.85 -24.11 61.64 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 123.678 0.611 . . . . 74.14 111.241 -176.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 117' ' ' LYS . . . . . 0.664 ' HA ' HD21 ' B' ' 120' ' ' LEU . 45.6 mtmt -82.06 -29.44 31.87 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 122.612 0.365 . . . . 73.21 111.276 173.23 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -72.53 -45.27 60.1 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.178 0.591 . . . . 62.3 110.504 177.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 119' ' ' GLN . . . . . 0.4 ' HG3' ' HA ' ' B' ' 116' ' ' LEU . 5.1 pp0? -73.56 -37.55 65.49 Favored 'General case' 0 C--N 1.345 0.406 0 CA-C-N 115.471 -0.786 . . . . 72.51 110.915 -177.668 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 120' ' ' LEU . . . . . 0.664 HD21 ' HA ' ' B' ' 117' ' ' LYS . 0.4 OUTLIER -63.1 -40.45 97.68 Favored 'General case' 0 C--N 1.369 1.451 0 N-CA-C 108.883 -0.784 . . . . 75.53 108.883 177.624 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 121' ' ' HIS . . . . . 0.487 ' O ' ' HG2' ' B' ' 125' ' ' MET . 33.4 t-80 -58.09 -45.48 87.12 Favored 'General case' 0 C--N 1.358 0.963 0 O-C-N 124.207 0.942 . . . . 73.0 110.034 178.305 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -60.18 -48.67 80.76 Favored 'General case' 0 CA--C 1.548 0.873 0 O-C-N 124.352 1.033 . . . . 75.41 110.884 177.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 123' ' ' THR . . . . . 0.544 HG22 HG22 ' A' ' 23' ' ' THR . 8.0 m -66.45 -29.56 69.72 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 124.385 1.074 . . . . 60.43 111.089 -178.625 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 124' ' ' ASN . . . . . 0.515 ' ND2' HG23 ' A' ' 23' ' ' THR . 1.0 OUTLIER -74.33 -35.4 63.62 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.303 0.641 . . . . 72.32 110.545 177.42 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 125' ' ' MET . . . . . 0.487 ' HG2' ' O ' ' B' ' 121' ' ' HIS . 93.3 mmm -64.36 -37.74 88.58 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 122.789 0.435 . . . . 64.02 110.704 174.25 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -66.37 -44.5 82.97 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 116.003 -0.544 . . . . 71.14 110.322 175.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 46.3 tp -60.23 -38.99 85.11 Favored 'General case' 0 CA--C 1.555 1.167 0 C-N-CA 123.614 0.765 . . . . 75.12 110.703 177.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 128' ' ' THR . . . . . . . . . . . . . 91.2 m -63.41 -37.81 88.71 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 124.253 1.021 . . . . 74.42 110.519 175.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 129' ' ' ASP . . . . . 0.42 ' O ' ' HG3' ' B' ' 133' ' ' GLN . 9.1 t70 -63.71 -45.06 91.69 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.649 0.78 . . . . 74.31 110.89 177.397 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 130' ' ' LEU . . . . . 0.519 ' HB3' ' HB3' ' A' ' 30' ' ' LEU . 1.5 mm? -63.69 -45.89 87.98 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 111.807 0.299 . . . . 63.23 111.807 -177.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.8 -30.79 70.3 Favored 'General case' 0 N--CA 1.483 1.177 0 O-C-N 123.351 0.407 . . . . 73.01 110.264 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 51.5 tp -72.09 -38.28 69.41 Favored 'General case' 0 C--N 1.357 0.911 0 C-N-CA 123.082 0.553 . . . . 75.45 110.187 178.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 133' ' ' GLN . . . . . 0.42 ' HG3' ' O ' ' B' ' 129' ' ' ASP . 40.0 mt-30 -74.71 -21.55 59.32 Favored 'General case' 0 C--O 1.215 -0.756 0 N-CA-C 110.223 -0.288 . . . . 75.31 110.223 175.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 12.2 tp . . . . . 0 N--CA 1.488 1.451 0 C-N-CA 124.475 1.11 . . . . 73.32 109.056 -178.959 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.527 ' HD3' ' H ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.072 0 N-CA-C 110.309 -0.256 . . . . 72.41 110.309 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.527 ' H ' ' HD3' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -78.97 -24.94 43.5 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-O 118.966 -0.54 . . . . 72.52 110.363 177.155 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.402 HD21 ' HB2' ' B' ' 106' ' ' TYR . 17.7 tp -58.31 -46.89 85.3 Favored 'General case' 0 N--CA 1.485 1.286 0 CA-C-O 121.472 0.653 . . . . 71.15 109.518 174.793 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -55.79 -53.57 55.01 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-N 113.657 -1.61 . . . . 74.33 109.922 172.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -58.8 -36.34 74.32 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 113.231 0.826 . . . . 71.55 113.231 -176.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.443 ' HG2' ' O ' ' A' ' 4' ' ' LYS . 8.4 mm-40 -63.65 -66.35 0.55 Allowed 'General case' 0 N--CA 1.482 1.137 0 O-C-N 123.333 0.395 . . . . 71.45 111.412 -177.801 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.541 HD11 ' HB2' ' B' ' 110' ' ' LEU . 16.2 mt -59.37 -42.1 86.43 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.061 0 O-C-N 123.246 0.341 . . . . 73.35 111.109 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.53 ' HA ' ' HB3' ' A' ' 13' ' ' ASN . 0.9 OUTLIER -67.51 -26.91 66.57 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 124.039 0.936 . . . . 73.42 111.191 -176.044 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.29 -47.43 70.63 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-O 120.61 0.243 . . . . 64.35 110.849 175.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.449 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 34.7 tt0 -69.91 -36.16 75.15 Favored 'General case' 0 C--O 1.21 -0.977 0 CA-C-N 115.748 -0.66 . . . . 72.01 109.972 176.687 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.53 ' HB3' ' HA ' ' A' ' 10' ' ' LEU . 20.3 t-20 -63.33 -41.1 98.86 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 124.979 1.312 . . . . 72.02 110.321 -179.284 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -61.07 -48.78 80.12 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 115.042 -0.981 . . . . 72.55 109.617 173.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.4 ttpt -60.33 -41.66 94.03 Favored 'General case' 0 C--O 1.215 -0.761 0 CA-C-N 114.9 -1.046 . . . . 75.22 110.578 -179.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' A' ' 12' ' ' GLU . 98.3 mt -67.34 -32.92 74.19 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.067 0.947 . . . . 74.44 110.396 -177.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.9 -33.97 74.64 Favored 'General case' 0 CA--C 1.552 1.052 0 C-N-CA 124.301 1.04 . . . . 75.05 109.703 174.562 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.36 -55.91 5.23 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 116.085 -0.507 . . . . 72.52 110.881 -177.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -63.33 -31.28 72.39 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.572 0.749 . . . . 74.44 111.955 -179.279 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.84 -43.58 88.09 Favored 'General case' 0 N--CA 1.483 1.18 0 N-CA-C 109.562 -0.533 . . . . 72.51 109.562 173.213 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 81.3 t60 -55.94 -46.64 78.45 Favored 'General case' 0 C--N 1.363 1.194 0 O-C-N 123.671 0.607 . . . . 71.1 109.476 178.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -59.69 -47.02 87.28 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.448 -0.797 . . . . 74.32 110.992 177.029 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.546 HG21 HG23 ' B' ' 123' ' ' THR . 17.2 m -70.64 -25.75 63.15 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 122.921 0.488 . . . . 74.24 111.619 -176.078 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.535 ' ND2' HG21 ' B' ' 123' ' ' THR . 1.2 m-80 -78.7 -39.24 37.12 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 122.911 0.484 . . . . 73.11 109.944 176.655 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 79.3 mmm -66.48 -44.24 83.23 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.372 0.669 . . . . 74.35 111.4 177.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.487 ' HG2' ' HA ' ' A' ' 23' ' ' THR . 13.2 pt-20 -76.15 -21.61 56.37 Favored 'General case' 0 C--O 1.204 -1.32 0 CA-C-O 118.941 -0.552 . . . . 75.14 110.381 178.69 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.8 tt -68.13 -47.98 66.65 Favored 'General case' 0 N--CA 1.485 1.293 0 N-CA-C 109.075 -0.713 . . . . 74.35 109.075 169.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 86.5 m -59.11 -42.0 89.52 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.125 0.97 . . . . 63.04 109.94 179.016 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -71.11 -42.04 69.78 Favored 'General case' 0 C--O 1.221 -0.439 0 CA-C-N 115.139 -0.937 . . . . 72.33 110.253 178.204 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.559 ' HA ' HE22 ' A' ' 33' ' ' GLN . 0.6 OUTLIER -62.92 -43.08 99.78 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.109 0.564 . . . . 74.44 110.891 -175.361 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.523 ' HZ3' ' HB2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -73.36 -39.75 64.92 Favored 'General case' 0 C--O 1.244 0.771 0 O-C-N 123.581 0.551 . . . . 72.51 110.896 -179.104 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.416 ' N ' ' HD3' ' A' ' 31' ' ' LYS . 52.1 tp -63.48 -54.11 41.59 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.316 0.646 . . . . 73.43 110.101 -178.539 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.559 HE22 ' HA ' ' A' ' 30' ' ' LEU . 26.9 pt20 -61.8 -44.64 96.47 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 115.796 -0.638 . . . . 75.44 110.244 -179.138 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 13.8 tp . . . . . 0 C--O 1.248 1.006 0 C-N-CA 125.288 1.435 . . . . 73.12 110.841 179.794 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 102' ' ' PHE . . . . . 0.42 ' O ' ' HG ' ' B' ' 105' ' ' LEU . 85.8 m-85 . . . . . 0 CA--C 1.541 0.618 0 CA-C-O 120.849 0.356 . . . . 74.14 110.3 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 103' ' ' LYS . . . . . 0.455 ' O ' ' HG2' ' B' ' 107' ' ' GLU . 0.0 OUTLIER -59.78 -33.44 71.71 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 109.331 -0.618 . . . . 65.14 109.331 176.15 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 104' ' ' LYS . . . . . 0.434 ' O ' ' HG2' ' B' ' 108' ' ' GLN . 0.0 OUTLIER -70.02 -35.73 74.56 Favored 'General case' 0 C--O 1.217 -0.637 0 CA-C-N 114.796 -1.093 . . . . 72.41 110.755 179.231 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 105' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' B' ' 102' ' ' PHE . 0.5 OUTLIER -61.07 -41.73 97.19 Favored 'General case' 0 C--N 1.371 1.525 0 N-CA-C 108.403 -0.962 . . . . 74.42 108.403 178.252 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 106' ' ' TYR . . . . . 0.48 ' CD1' HD13 ' A' ' 9' ' ' ILE . 36.0 t80 -57.56 -46.54 83.81 Favored 'General case' 0 C--N 1.355 0.819 0 O-C-N 124.447 1.092 . . . . 75.12 110.37 177.05 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 107' ' ' GLU . . . . . 0.455 ' HG2' ' O ' ' B' ' 103' ' ' LYS . 17.4 mm-40 -65.91 -42.98 89.47 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 115.581 -0.736 . . . . 74.24 112.14 -178.571 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 108' ' ' GLN . . . . . 0.434 ' HG2' ' O ' ' B' ' 104' ' ' LYS . 6.8 mm-40 -65.99 -52.81 46.08 Favored 'General case' 0 N--CA 1.48 1.026 0 O-C-N 123.294 0.371 . . . . 64.41 111.275 -174.768 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 11.5 mt -71.08 -38.18 70.39 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 CA-C-N 116.391 -0.368 . . . . 71.23 111.04 -175.281 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 110' ' ' LEU . . . . . 0.541 ' HB2' HD11 ' A' ' 9' ' ' ILE . 17.5 tp -76.48 -25.23 54.08 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 122.459 0.304 . . . . 75.34 111.424 -178.703 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -63.91 -44.0 94.27 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 109.373 -0.602 . . . . 72.41 109.373 167.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -67.37 -38.95 85.58 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 115.179 -0.919 . . . . 74.22 110.364 177.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -66.86 -37.07 83.75 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 124.824 1.25 . . . . 70.11 110.284 -177.101 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -59.77 -53.81 53.64 Favored 'General case' 0 C--N 1.353 0.743 0 CA-C-N 114.907 -1.042 . . . . 72.45 110.03 171.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 20.8 ttpt -56.31 -42.84 78.25 Favored 'General case' 0 C--N 1.35 0.606 0 CA-C-N 115.605 -0.725 . . . . 74.11 110.13 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 116' ' ' LEU . . . . . 0.418 ' HB3' ' HB3' ' A' ' 16' ' ' LEU . 84.4 mt -65.02 -30.09 71.05 Favored 'General case' 0 C--N 1.349 0.57 0 CA-C-N 115.103 -0.953 . . . . 73.32 111.377 -178.827 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.4 -40.99 73.59 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 123.387 0.675 . . . . 74.4 110.344 178.637 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -76.47 -46.08 28.38 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 115.591 -0.731 . . . . 73.44 111.637 -177.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -65.38 -35.7 81.76 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.116 0.566 . . . . 72.23 110.846 -178.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.75 -46.42 75.45 Favored 'General case' 0 C--N 1.36 1.045 0 N-CA-C 109.255 -0.646 . . . . 73.43 109.255 177.25 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 57.9 t-80 -62.98 -34.47 77.6 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-O 121.21 0.529 . . . . 72.13 110.844 -179.163 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 122' ' ' ASP . . . . . 0.48 ' O ' ' HG2' ' B' ' 126' ' ' GLU . 23.3 t70 -65.85 -50.16 65.58 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 114.565 -1.198 . . . . 73.0 109.907 176.314 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 123' ' ' THR . . . . . 0.546 HG23 HG21 ' A' ' 23' ' ' THR . 24.3 m -69.58 -26.42 64.46 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 123.375 0.67 . . . . 73.52 110.995 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 124' ' ' ASN . . . . . 0.461 ' ND2' HG22 ' A' ' 23' ' ' THR . 0.9 OUTLIER -74.14 -36.17 64.14 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.569 0.748 . . . . 73.52 110.059 178.509 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 125' ' ' MET . . . . . . . . . . . . . 24.7 ptt? -81.06 -24.7 37.64 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 122.079 0.151 . . . . 72.32 110.658 179.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 126' ' ' GLU . . . . . 0.48 ' HG2' ' O ' ' B' ' 122' ' ' ASP . 19.5 mm-40 -69.02 -41.8 77.23 Favored 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 109.22 -0.659 . . . . 62.05 109.22 170.323 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 127' ' ' LEU . . . . . 0.416 HD11 ' HG3' ' A' ' 26' ' ' GLU . 57.9 tp -59.17 -43.45 92.15 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 114.92 -1.036 . . . . 70.13 110.577 173.065 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 128' ' ' THR . . . . . . . . . . . . . 91.4 m -63.9 -37.79 88.7 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.899 0.879 . . . . 75.33 110.694 177.086 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -63.26 -42.87 99.22 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.644 1.178 . . . . 61.24 110.459 177.233 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 130' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' B' ' 126' ' ' GLU . 96.8 mt -75.06 -36.39 61.81 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 115.517 -0.765 . . . . 55.43 111.837 -175.412 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.55 -27.32 55.87 Favored 'General case' 0 N--CA 1.487 1.412 0 CA-C-N 117.857 0.299 . . . . 72.22 111.175 179.538 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 58.1 tp -63.98 -49.26 73.19 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 108.962 -0.755 . . . . 73.53 108.962 170.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 133' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -65.12 -30.6 71.55 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-N 115.314 -0.857 . . . . 74.11 111.003 175.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 19.5 tp . . . . . 0 N--CA 1.485 1.305 0 C-N-CA 124.124 0.969 . . . . 74.23 110.153 -176.452 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.422 ' HD3' ' H ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.884 0 CA-C-O 121.275 0.56 . . . . 74.2 109.719 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.424 ' O ' ' HG2' ' A' ' 8' ' ' GLN . 0.1 OUTLIER -83.95 -27.59 28.4 Favored 'General case' 0 C--O 1.211 -0.95 0 CA-C-N 115.126 -0.943 . . . . 74.43 109.082 -178.121 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 19.4 tp -56.03 -46.14 78.95 Favored 'General case' 0 N--CA 1.488 1.446 0 CA-C-O 121.649 0.738 . . . . 71.12 109.794 176.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 22.4 t80 -56.26 -51.34 68.51 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 113.484 -1.689 . . . . 75.52 110.051 172.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -58.71 -36.44 74.27 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.216 1.007 . . . . 75.41 112.858 -178.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.424 ' HG2' ' O ' ' A' ' 4' ' ' LYS . 11.8 mm-40 -65.75 -63.91 0.98 Allowed 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 122.803 0.441 . . . . 63.41 111.593 -175.38 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.4 HD13 ' CD2' ' B' ' 106' ' ' TYR . 19.8 mt -63.44 -40.5 89.27 Favored 'Isoleucine or valine' 0 C--N 1.362 1.111 0 O-C-N 123.208 0.318 . . . . 72.51 110.95 179.72 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.16 -29.9 69.73 Favored 'General case' 0 N--CA 1.496 1.838 0 C-N-CA 123.078 0.551 . . . . 74.11 110.623 -177.021 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.78 -48.82 80.09 Favored 'General case' 0 N--CA 1.482 1.139 0 N-CA-C 109.194 -0.669 . . . . 75.33 109.194 174.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.52 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 5.0 tp10 -65.52 -39.94 92.39 Favored 'General case' 0 CA--C 1.55 0.972 0 CA-C-N 114.691 -1.14 . . . . 74.2 110.975 175.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -68.9 -41.05 78.76 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 124.487 1.115 . . . . 74.21 110.605 -171.055 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -75.3 -30.34 60.33 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 114.916 -1.038 . . . . 75.11 109.17 178.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.9 ttpt -63.54 -41.71 98.45 Favored 'General case' 0 C--N 1.362 1.113 0 N-CA-C 108.485 -0.931 . . . . 74.52 108.485 174.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.52 ' HG ' ' O ' ' A' ' 12' ' ' GLU . 95.0 mt -67.16 -30.64 70.66 Favored 'General case' 0 C--N 1.362 1.113 0 C-N-CA 124.213 1.005 . . . . 74.13 111.009 179.71 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.406 ' HD3' HD22 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -67.38 -38.54 84.9 Favored 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 123.45 0.7 . . . . 74.01 110.43 173.558 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.41 -46.46 40.06 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 115.351 -0.841 . . . . 72.02 111.551 -175.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -74.28 -28.16 61.07 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.76 0.824 . . . . 74.33 112.1 -179.107 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.406 HD22 ' HD3' ' A' ' 17' ' ' LYS . 1.1 pp -66.22 -44.96 82.31 Favored 'General case' 0 N--CA 1.484 1.263 0 N-CA-C 108.292 -1.003 . . . . 63.43 108.292 173.556 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -60.51 -42.14 95.79 Favored 'General case' 0 C--N 1.352 0.686 0 O-C-N 123.817 0.698 . . . . 71.34 110.45 -179.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -59.16 -53.37 59.05 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.886 0.874 . . . . 73.01 110.502 176.476 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.522 HG22 ' ND2' ' B' ' 124' ' ' ASN . 24.8 m -69.59 -30.39 68.15 Favored 'General case' 0 CA--C 1.55 0.947 0 O-C-N 123.969 0.793 . . . . 74.33 111.403 -175.625 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.442 ' ND2' HG22 ' B' ' 123' ' ' THR . 1.1 m-80 -70.27 -51.51 29.98 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.002 0.521 . . . . 73.42 109.767 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.463 ' HA ' ' HE2' ' A' ' 25' ' ' MET . 25.8 mmt -70.11 -40.97 74.59 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 115.817 -0.629 . . . . 71.51 112.144 -175.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.446 ' HG2' ' HA ' ' A' ' 23' ' ' THR . 1.5 pt-20 -66.6 -35.21 79.66 Favored 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 110.184 -0.302 . . . . 73.55 110.184 178.435 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.746 HD13 ' HB2' ' B' ' 126' ' ' GLU . 8.5 tt -60.8 -47.76 84.88 Favored 'General case' 0 C--N 1.362 1.118 0 O-C-N 123.972 0.795 . . . . 74.01 109.634 172.629 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 81.1 m -55.68 -47.41 76.79 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 123.994 0.918 . . . . 75.32 111.017 -177.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -61.79 -49.18 77.36 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 124.305 1.042 . . . . 74.3 110.833 176.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.692 ' HA ' HE22 ' A' ' 33' ' ' GLN . 16.9 tp -70.13 -36.2 74.63 Favored 'General case' 0 CA--C 1.555 1.149 0 CA-C-N 114.724 -1.125 . . . . 74.45 110.828 -170.217 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.66 ' HZ1' ' HB2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -79.9 -29.89 39.99 Favored 'General case' 0 N--CA 1.494 1.736 0 C-N-CA 123.202 0.601 . . . . 74.4 111.134 -179.05 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.3 tp -56.53 -63.03 1.33 Allowed 'General case' 0 C--N 1.347 0.489 0 O-C-N 124.258 0.973 . . . . 72.33 109.305 175.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.692 HE22 ' HA ' ' A' ' 30' ' ' LEU . 27.5 pt20 -64.36 -32.23 73.76 Favored 'General case' 0 CA--C 1.55 0.974 0 CA-C-N 115.55 -0.75 . . . . 72.21 111.55 -178.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.426 HD13 ' HB2' ' B' ' 133' ' ' GLN . 0.1 OUTLIER . . . . . 0 N--CA 1.494 1.765 0 C-N-CA 124.086 0.954 . . . . 74.32 109.695 178.154 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 102' ' ' PHE . . . . . 0.469 ' HD2' HD21 ' B' ' 105' ' ' LEU . 88.6 m-85 . . . . . 0 N--CA 1.485 1.316 0 N-CA-C 113.489 0.922 . . . . 73.12 113.489 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 103' ' ' LYS . . . . . 0.426 ' HD3' ' N ' ' B' ' 104' ' ' LYS . 0.0 OUTLIER -60.33 -32.12 70.94 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-O 121.379 0.609 . . . . 72.01 109.807 176.551 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 104' ' ' LYS . . . . . 0.432 ' O ' ' HG2' ' B' ' 108' ' ' GLN . 0.0 OUTLIER -71.86 -36.21 70.07 Favored 'General case' 0 C--O 1.214 -0.795 0 CA-C-N 114.583 -1.19 . . . . 63.41 110.611 179.764 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 105' ' ' LEU . . . . . 0.469 HD21 ' HD2' ' B' ' 102' ' ' PHE . 0.4 OUTLIER -60.34 -43.52 96.37 Favored 'General case' 0 C--N 1.375 1.691 0 N-CA-C 107.873 -1.158 . . . . 73.13 107.873 179.87 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 106' ' ' TYR . . . . . 0.4 ' CD2' HD13 ' A' ' 9' ' ' ILE . 29.6 t80 -57.5 -47.58 81.54 Favored 'General case' 0 C--N 1.358 0.943 0 CA-C-N 114.757 -1.11 . . . . 72.02 109.836 176.728 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 107' ' ' GLU . . . . . 0.407 ' HG2' ' O ' ' B' ' 103' ' ' LYS . 52.6 mm-40 -64.28 -42.87 96.21 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.814 0.845 . . . . 71.54 113.039 -178.184 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 108' ' ' GLN . . . . . 0.432 ' HG2' ' O ' ' B' ' 104' ' ' LYS . 11.5 mm-40 -69.15 -52.3 29.51 Favored 'General case' 0 N--CA 1.484 1.227 0 O-C-N 123.209 0.318 . . . . 74.1 110.788 -172.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 23.6 mt -67.55 -35.01 71.79 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.012 0 O-C-N 123.666 0.604 . . . . 75.34 110.501 -177.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -73.26 -32.63 64.81 Favored 'General case' 0 N--CA 1.491 1.623 0 C-N-CA 123.266 0.626 . . . . 75.43 110.384 178.082 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.69 -46.07 83.91 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 122.647 0.379 . . . . 74.35 110.199 174.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 39.8 tp10 -66.38 -36.23 82.34 Favored 'General case' 0 C--O 1.21 -0.999 0 CA-C-N 115.568 -0.742 . . . . 75.45 110.223 175.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -61.48 -42.22 98.46 Favored 'General case' 0 N--CA 1.495 1.782 0 C-N-CA 124.574 1.15 . . . . 73.24 111.002 178.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -68.36 -46.01 71.24 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.791 0.836 . . . . 71.44 110.386 176.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 8.4 ttpt -56.87 -40.72 76.69 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-N 115.628 -0.714 . . . . 72.2 110.369 176.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 83.1 mt -69.05 -34.99 76.08 Favored 'General case' 0 C--N 1.35 0.617 0 CA-C-N 114.906 -1.043 . . . . 71.31 110.63 178.18 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.35 -37.54 87.36 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.333 0.653 . . . . 73.24 110.014 178.685 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -76.08 -44.9 36.71 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.183 0.993 . . . . 75.31 111.199 -176.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -69.28 -39.26 78.45 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.16 0.584 . . . . 74.32 111.199 -177.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 1.6 pp -69.52 -39.54 77.46 Favored 'General case' 0 C--N 1.358 0.973 0 N-CA-C 108.823 -0.806 . . . . 72.34 108.823 179.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 121' ' ' HIS . . . . . 0.529 ' O ' ' HG2' ' B' ' 125' ' ' MET . 15.1 t-80 -55.55 -48.24 75.07 Favored 'General case' 0 C--N 1.357 0.892 0 O-C-N 124.226 0.954 . . . . 74.14 109.731 176.023 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 122' ' ' ASP . . . . . 0.464 ' O ' ' HG3' ' B' ' 126' ' ' GLU . 22.2 t70 -57.16 -49.69 75.17 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 124.238 0.961 . . . . 75.13 110.343 177.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 123' ' ' THR . . . . . 0.456 HG21 HG21 ' A' ' 23' ' ' THR . 13.9 m -60.92 -36.53 79.54 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.52 0.728 . . . . 73.33 111.356 -179.545 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 124' ' ' ASN . . . . . 0.522 ' ND2' HG22 ' A' ' 23' ' ' THR . 0.9 OUTLIER -72.26 -35.07 68.67 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 122.961 0.504 . . . . 70.24 109.994 -179.54 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 125' ' ' MET . . . . . 0.529 ' HG2' ' O ' ' B' ' 121' ' ' HIS . 92.4 mmm -62.92 -45.58 91.85 Favored 'General case' 0 C--N 1.359 0.998 0 C-N-CA 123.048 0.539 . . . . 74.41 110.573 176.131 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 126' ' ' GLU . . . . . 0.746 ' HB2' HD13 ' A' ' 27' ' ' LEU . 9.6 mt-10 -62.67 -43.86 97.72 Favored 'General case' 0 N--CA 1.483 1.191 0 N-CA-C 108.708 -0.849 . . . . 74.33 108.708 178.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 127' ' ' LEU . . . . . 0.479 HD21 HG23 ' A' ' 23' ' ' THR . 37.3 tp -64.88 -27.48 68.89 Favored 'General case' 0 CA--C 1.556 1.187 0 O-C-N 124.321 1.013 . . . . 74.5 111.557 179.195 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 128' ' ' THR . . . . . . . . . . . . . 99.3 m -73.54 -44.76 56.77 Favored 'General case' 0 N--CA 1.495 1.824 0 C-N-CA 123.24 0.616 . . . . 74.54 110.071 176.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 129' ' ' ASP . . . . . 0.416 ' O ' ' HG3' ' B' ' 133' ' ' GLN . 52.9 m-20 -61.14 -45.24 95.46 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.549 0.739 . . . . 71.15 109.699 175.49 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 130' ' ' LEU . . . . . 0.641 HD21 ' HB3' ' A' ' 30' ' ' LEU . 4.8 tp -63.24 -46.05 88.73 Favored 'General case' 0 C--O 1.215 -0.726 0 C-N-CA 125.735 1.614 . . . . 74.52 110.271 -178.092 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 24.0 tptp -51.61 -46.61 63.65 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 125.41 1.484 . . . . 73.45 111.024 174.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 62.9 tp -65.97 -49.68 67.0 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 115.358 -0.837 . . . . 71.34 110.94 178.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 133' ' ' GLN . . . . . 0.426 ' HB2' HD13 ' A' ' 34' ' ' LEU . 44.9 mt-30 -68.53 -27.38 66.05 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.492 0.717 . . . . 73.25 111.269 -175.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 1.5 tm? . . . . . 0 N--CA 1.48 1.068 0 C-N-CA 124.116 0.966 . . . . 71.35 108.432 -176.694 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.559 ' HD3' ' H ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.476 0.855 0 CA-C-O 121.804 0.812 . . . . 73.22 109.025 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.559 ' H ' ' HD3' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -85.41 -22.62 28.27 Favored 'General case' 0 C--O 1.211 -0.957 0 CA-C-N 114.727 -1.124 . . . . 73.52 109.086 -178.597 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.436 HD21 ' HB2' ' B' ' 106' ' ' TYR . 33.3 tp -54.54 -44.25 72.66 Favored 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 109.594 -0.521 . . . . 70.01 109.594 172.197 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -55.89 -53.36 57.77 Favored 'General case' 0 C--N 1.356 0.849 0 CA-C-N 114.466 -1.243 . . . . 73.34 109.886 171.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 -53.78 -38.2 64.23 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.921 0.888 . . . . 75.31 112.443 -179.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.442 ' HG2' ' O ' ' A' ' 4' ' ' LYS . 12.3 mm-40 -64.98 -69.69 0.28 Allowed 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.469 0.708 . . . . 75.1 111.811 -174.429 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.539 HD13 ' CD2' ' B' ' 106' ' ' TYR . 17.5 mt -59.28 -41.07 82.94 Favored 'Isoleucine or valine' 0 C--N 1.359 0.988 0 O-C-N 123.713 0.633 . . . . 63.44 111.161 -179.789 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -67.47 -31.69 72.02 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.314 0.646 . . . . 73.41 111.138 -176.359 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.17 -45.34 88.84 Favored 'General case' 0 N--CA 1.483 1.191 0 CA-C-N 118.087 0.403 . . . . 74.02 110.137 174.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.455 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 4.6 tp10 -66.42 -41.73 88.81 Favored 'General case' 0 C--O 1.213 -0.866 0 CA-C-N 115.969 -0.559 . . . . 75.41 110.386 176.384 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -64.31 -42.16 96.47 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 125.393 1.477 . . . . 61.24 110.432 -176.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.463 ' HA ' ' HE2' ' A' ' 17' ' ' LYS . 2.9 tt0 -61.0 -49.46 77.34 Favored 'General case' 0 C--O 1.24 0.588 0 C-N-CA 124.823 1.249 . . . . 74.03 109.653 175.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.5 ttpt -56.57 -43.36 79.95 Favored 'General case' 0 C--O 1.217 -0.613 0 O-C-N 124.44 1.088 . . . . 72.03 109.959 177.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 12' ' ' GLU . 94.2 mt -65.3 -29.62 70.39 Favored 'General case' 0 C--N 1.357 0.91 0 C-N-CA 124.027 0.931 . . . . 75.11 111.388 -177.289 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.463 ' HE2' ' HA ' ' A' ' 14' ' ' GLU . 49.0 mtmt -73.96 -35.13 64.48 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 122.808 0.443 . . . . 75.13 111.038 174.437 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.99 -49.3 46.77 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.05 0.54 . . . . 73.04 110.617 -177.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -70.29 -32.7 70.6 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.515 0.726 . . . . 72.32 112.153 -179.393 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.433 HD22 ' HA ' ' A' ' 17' ' ' LYS . 0.6 OUTLIER -66.19 -41.17 90.61 Favored 'General case' 0 N--CA 1.483 1.203 0 N-CA-C 108.748 -0.834 . . . . 75.4 108.748 173.727 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 14.0 t-80 -60.06 -36.41 77.27 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.928 0.891 . . . . 72.1 110.307 -178.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.407 ' HA ' ' HG2' ' A' ' 25' ' ' MET . 70.9 m-20 -71.45 -45.41 62.7 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 123.811 0.695 . . . . 75.42 111.518 175.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.506 HG21 ' ND2' ' B' ' 124' ' ' ASN . 12.0 m -67.86 -29.64 68.82 Favored 'General case' 0 CA--C 1.545 0.759 0 O-C-N 123.38 0.425 . . . . 73.35 111.282 -178.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.567 ' ND2' HG21 ' B' ' 123' ' ' THR . 1.0 OUTLIER -75.26 -45.21 41.42 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.794 0.838 . . . . 74.45 109.638 179.37 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.407 ' HG2' ' HA ' ' A' ' 22' ' ' ASP . 22.5 ptp -69.06 -36.99 78.28 Favored 'General case' 0 C--N 1.356 0.865 0 O-C-N 123.429 0.456 . . . . 75.03 110.265 -175.429 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.515 ' O ' ' HB2' ' A' ' 30' ' ' LEU . 18.4 pt-20 -78.51 -31.03 47.46 Favored 'General case' 0 C--O 1.203 -1.382 0 O-C-N 123.756 0.66 . . . . 75.44 110.13 -178.597 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 48.8 tp -60.47 -48.33 82.24 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.708 0.803 . . . . 74.23 111.259 171.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 35.5 m -65.53 -41.29 93.24 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.377 0.671 . . . . 73.11 110.602 179.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -69.63 -33.42 72.61 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.91 0.884 . . . . 75.32 110.748 178.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.545 ' HA ' HE22 ' A' ' 33' ' ' GLN . 11.9 tp -67.39 -43.23 81.85 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.784 0.834 . . . . 75.01 108.771 179.644 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.486 ' HA ' HD11 ' B' ' 130' ' ' LEU . 0.0 OUTLIER -70.4 -31.07 68.14 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.757 1.223 . . . . 74.02 110.084 -179.535 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 46.3 tp -63.85 -59.38 4.6 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 115.266 -0.879 . . . . 75.13 109.856 -179.016 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.545 HE22 ' HA ' ' A' ' 30' ' ' LEU . 3.7 pp0? -75.52 -19.69 59.19 Favored 'General case' 0 CA--C 1.554 1.117 0 CA-C-N 116.201 -0.454 . . . . 74.24 111.879 179.773 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 25.6 tp . . . . . 0 N--CA 1.486 1.351 0 C-N-CA 123.231 0.612 . . . . 65.33 110.199 170.19 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 102' ' ' PHE . . . . . 0.472 ' HD1' HD22 ' B' ' 105' ' ' LEU . 97.8 m-85 . . . . . 0 CA--C 1.545 0.752 0 N-CA-C 111.731 0.271 . . . . 73.13 111.731 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.87 -34.26 75.68 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 108.861 -0.792 . . . . 74.52 108.861 172.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 104' ' ' LYS . . . . . 0.455 ' O ' ' HG2' ' B' ' 108' ' ' GLN . 0.0 OUTLIER -59.32 -42.63 91.87 Favored 'General case' 0 C--N 1.359 0.985 0 CA-C-N 114.808 -1.087 . . . . 73.14 111.209 172.859 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 105' ' ' LEU . . . . . 0.472 HD22 ' HD1' ' B' ' 102' ' ' PHE . 0.4 OUTLIER -61.99 -41.61 98.23 Favored 'General case' 0 C--N 1.381 1.94 0 N-CA-C 108.728 -0.842 . . . . 73.52 108.728 -176.256 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 106' ' ' TYR . . . . . 0.539 ' CD2' HD13 ' A' ' 9' ' ' ILE . 49.6 t80 -55.12 -49.88 70.64 Favored 'General case' 0 C--N 1.366 1.293 0 O-C-N 124.77 1.293 . . . . 74.44 108.986 177.334 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -63.91 -41.02 97.78 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 113.096 0.776 . . . . 75.42 113.096 -178.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 108' ' ' GLN . . . . . 0.455 ' HG2' ' O ' ' B' ' 104' ' ' LYS . 12.9 mm-40 -64.77 -58.23 6.81 Favored 'General case' 0 N--CA 1.483 1.194 0 O-C-N 123.404 0.44 . . . . 75.44 110.607 -174.506 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 15.7 mt -67.63 -38.62 80.75 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.974 0 CA-C-N 115.469 -0.787 . . . . 73.32 110.811 -176.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 110' ' ' LEU . . . . . 0.402 ' HB2' HD11 ' A' ' 9' ' ' ILE . 1.5 tm? -68.87 -33.17 73.35 Favored 'General case' 0 N--CA 1.492 1.633 0 C-N-CA 123.481 0.712 . . . . 74.41 110.747 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.13 -41.75 97.1 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-O 120.973 0.416 . . . . 64.03 109.919 175.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 112' ' ' GLU . . . . . 0.414 ' O ' ' HG ' ' B' ' 116' ' ' LEU . 8.8 tp10 -70.83 -37.91 73.2 Favored 'General case' 0 C--O 1.214 -0.807 0 CA-C-N 115.253 -0.885 . . . . 65.13 110.833 175.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -64.19 -43.58 94.62 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 124.825 1.25 . . . . 74.23 110.177 -177.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -54.28 -54.97 33.01 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.529 1.531 . . . . 73.43 109.955 172.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 20.4 ttpt -57.85 -39.31 77.4 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 114.257 -1.338 . . . . 74.15 110.339 -179.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 116' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' B' ' 112' ' ' GLU . 69.9 mt -68.04 -30.59 69.85 Favored 'General case' 0 C--N 1.355 0.829 0 O-C-N 123.961 0.788 . . . . 73.31 111.636 -177.378 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -72.67 -37.37 67.93 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 120.787 0.327 . . . . 72.3 110.701 175.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -74.3 -39.98 62.55 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 116.033 -0.531 . . . . 74.24 111.314 -177.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -74.38 -35.58 63.52 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.231 0.612 . . . . 64.11 110.928 -177.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 1.4 pp -67.42 -42.22 83.56 Favored 'General case' 0 C--N 1.362 1.135 0 N-CA-C 109.387 -0.597 . . . . 75.55 109.387 178.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -58.92 -47.73 83.98 Favored 'General case' 0 C--N 1.36 1.039 0 O-C-N 123.671 0.607 . . . . 74.1 109.523 175.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 122' ' ' ASP . . . . . 0.437 ' O ' ' HG2' ' B' ' 126' ' ' GLU . 26.1 t70 -58.13 -42.01 84.91 Favored 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 125.115 1.366 . . . . 74.02 111.869 178.762 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 123' ' ' THR . . . . . 0.567 HG21 ' ND2' ' A' ' 24' ' ' ASN . 81.7 m -73.43 -33.75 65.09 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.824 0.85 . . . . 74.22 110.791 -179.576 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 124' ' ' ASN . . . . . 0.506 ' ND2' HG21 ' A' ' 23' ' ' THR . 9.2 m-80 -73.54 -25.43 60.4 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.491 0.716 . . . . 74.34 110.427 175.804 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 125' ' ' MET . . . . . 0.489 ' HA ' ' HE1' ' B' ' 125' ' ' MET . 7.8 mmt -70.7 -43.1 69.7 Favored 'General case' 0 C--N 1.352 0.677 0 C-N-CA 122.962 0.505 . . . . 74.43 109.881 170.565 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 126' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' B' ' 122' ' ' ASP . 50.6 mm-40 -59.43 -39.72 84.42 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.029 0.532 . . . . 72.43 110.288 173.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 127' ' ' LEU . . . . . 0.49 HD23 HG22 ' A' ' 23' ' ' THR . 40.7 tp -68.12 -41.39 81.79 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 124.658 1.183 . . . . 73.51 111.038 -178.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 128' ' ' THR . . . . . . . . . . . . . 90.5 m -66.63 -40.72 88.88 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.735 0.814 . . . . 74.31 110.184 176.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 129' ' ' ASP . . . . . 0.447 ' O ' ' HB3' ' B' ' 132' ' ' LEU . 15.0 t70 -65.98 -38.41 88.45 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 114.421 -1.263 . . . . 74.13 109.71 178.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 130' ' ' LEU . . . . . 0.529 ' HB3' HD23 ' A' ' 30' ' ' LEU . 0.4 OUTLIER -71.63 -47.12 56.6 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.38 0.672 . . . . 73.21 109.754 -176.214 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 131' ' ' LYS . . . . . 0.426 ' HA ' ' HB2' ' B' ' 134' ' ' LEU . 0.2 OUTLIER -67.64 -19.0 65.15 Favored 'General case' 0 C--N 1.357 0.925 0 O-C-N 123.431 0.457 . . . . 73.31 110.187 179.933 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 132' ' ' LEU . . . . . 0.447 ' HB3' ' O ' ' B' ' 129' ' ' ASP . 40.9 tp -68.02 -48.11 66.6 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.226 0.611 . . . . 73.15 110.695 169.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 133' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -64.33 -27.77 69.25 Favored 'General case' 0 N--CA 1.488 1.46 0 CA-C-N 118.308 0.504 . . . . 60.25 110.886 172.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 134' ' ' LEU . . . . . 0.426 ' HB2' ' HA ' ' B' ' 131' ' ' LYS . 7.5 tp . . . . . 0 N--CA 1.479 1.01 0 C-N-CA 123.974 0.91 . . . . 73.04 110.196 -177.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.474 0.752 0 N-CA-C 109.496 -0.557 . . . . 71.52 109.496 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.474 ' O ' ' HG2' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -74.15 -31.3 62.66 Favored 'General case' 0 C--O 1.204 -1.299 0 CA-C-O 119.14 -0.457 . . . . 75.42 109.793 -176.749 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 17.8 tp -52.32 -50.89 61.36 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-O 121.654 0.74 . . . . 72.3 110.392 174.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -59.57 -44.41 93.31 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 113.546 -1.661 . . . . 73.32 110.383 175.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -65.96 -36.2 82.68 Favored 'General case' 0 C--O 1.214 -0.771 0 C-N-CA 123.856 0.862 . . . . 64.42 112.795 -177.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.474 ' HG2' ' O ' ' A' ' 4' ' ' LYS . 8.7 mm-40 -65.62 -62.05 1.74 Allowed 'General case' 0 N--CA 1.487 1.401 0 CA-C-N 118.198 0.454 . . . . 73.42 110.664 -174.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.524 HD11 ' HB2' ' B' ' 110' ' ' LEU . 19.1 mt -65.23 -40.04 87.4 Favored 'Isoleucine or valine' 0 C--N 1.354 0.79 0 O-C-N 123.693 0.62 . . . . 72.33 111.504 -178.368 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 19.0 tp -73.19 -28.35 62.14 Favored 'General case' 0 N--CA 1.484 1.263 0 N-CA-C 112.26 0.467 . . . . 75.32 112.26 -176.495 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.43 -42.38 92.52 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 109.297 -0.631 . . . . 74.33 109.297 172.633 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.466 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 4.6 tp10 -67.69 -39.92 84.39 Favored 'General case' 0 C--O 1.211 -0.963 0 CA-C-N 115.265 -0.879 . . . . 63.23 109.785 176.745 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -62.27 -44.61 96.13 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 125.21 1.404 . . . . 74.14 110.546 -177.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -58.21 -50.23 74.29 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.37 1.068 . . . . 75.51 110.156 174.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.2 ttpt -59.82 -42.57 93.82 Favored 'General case' 0 C--O 1.217 -0.619 0 CA-C-N 114.992 -1.004 . . . . 63.33 110.455 -179.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 12' ' ' GLU . 87.5 mt -65.64 -33.36 75.7 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.837 0.855 . . . . 71.32 110.532 -179.428 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.42 ' HA ' HD21 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -70.32 -33.22 71.26 Favored 'General case' 0 CA--C 1.55 0.942 0 C-N-CA 123.925 0.89 . . . . 74.52 110.141 176.325 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.48 -48.51 16.92 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.403 0.681 . . . . 72.01 111.097 -176.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.44 -32.91 72.16 Favored 'General case' 0 C--N 1.346 0.421 0 C-N-CA 123.414 0.685 . . . . 72.24 111.475 -178.612 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.42 HD21 ' HA ' ' A' ' 17' ' ' LYS . 0.7 OUTLIER -66.93 -44.99 79.23 Favored 'General case' 0 C--O 1.21 -0.979 0 N-CA-C 108.416 -0.957 . . . . 74.11 108.416 175.051 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 40.4 t-80 -53.85 -45.15 70.84 Favored 'General case' 0 C--N 1.359 0.996 0 O-C-N 124.246 0.966 . . . . 75.33 109.648 -179.191 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -63.66 -49.11 74.48 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 114.841 -1.072 . . . . 73.42 111.603 178.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.51 HG21 ' ND2' ' B' ' 124' ' ' ASN . 7.8 m -67.21 -30.21 70.08 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 122.883 0.473 . . . . 73.52 111.104 -178.264 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.492 ' ND2' HG22 ' B' ' 123' ' ' THR . 1.0 OUTLIER -75.18 -46.28 35.16 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.921 0.888 . . . . 64.31 109.714 -178.606 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.438 ' HA ' ' HE2' ' A' ' 25' ' ' MET . 10.7 mmt -62.76 -48.55 78.67 Favored 'General case' 0 C--N 1.35 0.601 0 O-C-N 123.965 0.79 . . . . 63.04 110.884 179.456 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.502 ' O ' ' HB2' ' A' ' 30' ' ' LEU . 12.0 pt-20 -65.73 -35.84 81.88 Favored 'General case' 0 C--O 1.205 -1.265 0 CA-C-O 118.888 -0.577 . . . . 74.03 110.6 -179.034 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.643 HD11 ' HB2' ' B' ' 126' ' ' GLU . 7.1 tt -58.47 -42.63 87.94 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.867 0.867 . . . . 70.22 110.444 174.423 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.437 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 68.7 m -69.78 -43.87 71.28 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 123.572 0.749 . . . . 74.44 111.147 -177.679 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.52 -36.56 84.2 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 115.67 -0.695 . . . . 75.11 110.274 175.403 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.502 ' HB2' ' O ' ' A' ' 26' ' ' GLU . 9.4 tp -73.57 -39.85 64.36 Favored 'General case' 0 C--N 1.349 0.559 0 C-N-CA 123.576 0.75 . . . . 74.51 110.029 -175.254 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.437 ' HG3' ' O ' ' A' ' 28' ' ' THR . 0.1 OUTLIER -69.79 -33.38 72.3 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 109.133 -0.692 . . . . 73.02 109.133 -179.882 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 39.5 tp -64.88 -52.73 54.97 Favored 'General case' 0 C--N 1.35 0.593 0 CA-C-N 115.373 -0.83 . . . . 73.45 110.684 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -70.18 -30.79 68.0 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-O 119.846 -0.121 . . . . 61.23 111.313 178.579 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.479 HD13 HD22 ' B' ' 134' ' ' LEU . 17.3 tp . . . . . 0 N--CA 1.481 1.118 0 C-N-CA 123.174 0.59 . . . . 72.24 110.234 176.215 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 102' ' ' PHE . . . . . 0.462 ' O ' ' HG ' ' B' ' 105' ' ' LEU . 98.0 m-85 . . . . . 0 N--CA 1.476 0.827 0 CA-C-O 120.425 0.155 . . . . 74.4 111.398 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.82 -32.76 72.11 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 108.955 -0.757 . . . . 74.12 108.955 174.504 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 104' ' ' LYS . . . . . 0.47 ' O ' ' HG2' ' B' ' 108' ' ' GLN . 0.0 OUTLIER -68.43 -35.87 78.23 Favored 'General case' 0 C--N 1.355 0.831 0 CA-C-N 114.634 -1.166 . . . . 72.11 111.319 177.147 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 105' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' B' ' 102' ' ' PHE . 0.8 OUTLIER -61.2 -43.02 99.54 Favored 'General case' 0 C--N 1.376 1.759 0 N-CA-C 108.298 -1.001 . . . . 74.45 108.298 179.229 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 106' ' ' TYR . . . . . 0.433 ' CD1' HD13 ' A' ' 9' ' ' ILE . 35.6 t80 -56.04 -45.78 79.09 Favored 'General case' 0 C--N 1.362 1.135 0 O-C-N 124.657 1.223 . . . . 72.44 109.552 177.219 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -65.78 -45.89 80.78 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.528 0.731 . . . . 45.3 112.585 -179.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 108' ' ' GLN . . . . . 0.47 ' HG2' ' O ' ' B' ' 104' ' ' LYS . 13.6 mm-40 -65.97 -52.16 52.1 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 122.701 0.4 . . . . 75.4 111.047 -171.813 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 20.6 mt -69.49 -38.9 77.87 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 O-C-N 123.827 0.705 . . . . 73.32 110.319 -177.308 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 110' ' ' LEU . . . . . 0.524 ' HB2' HD11 ' A' ' 9' ' ' ILE . 22.4 tp -70.57 -32.76 70.29 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 122.608 0.363 . . . . 73.02 111.637 -178.447 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.66 -44.2 91.15 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 109.942 -0.392 . . . . 70.14 109.942 175.093 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 112' ' ' GLU . . . . . 0.464 ' O ' ' HG ' ' B' ' 116' ' ' LEU . 9.0 tp10 -65.13 -38.0 89.23 Favored 'General case' 0 C--O 1.211 -0.931 0 CA-C-N 115.224 -0.898 . . . . 65.53 110.17 173.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -65.84 -39.14 90.5 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 124.821 1.249 . . . . 75.53 110.754 -176.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.65 -35.03 67.67 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.854 0.862 . . . . 73.34 109.346 178.466 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 6.0 ttpt -65.77 -41.34 92.18 Favored 'General case' 0 C--N 1.35 0.614 0 CA-C-N 115.291 -0.868 . . . . 72.41 108.932 177.33 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 116' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' B' ' 112' ' ' GLU . 96.7 mt -66.49 -33.63 76.12 Favored 'General case' 0 C--N 1.352 0.698 0 O-C-N 124.374 1.046 . . . . 74.03 110.316 177.184 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.59 -42.62 91.49 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 123.77 0.828 . . . . 70.43 109.656 178.575 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -74.28 -46.13 43.26 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 114.873 -1.058 . . . . 65.22 111.069 -174.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 5.4 pp0? -67.17 -37.03 83.04 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 115.983 -0.553 . . . . 71.31 111.07 -177.269 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 2.9 pp -68.14 -40.07 82.53 Favored 'General case' 0 C--N 1.365 1.27 0 N-CA-C 109.867 -0.42 . . . . 73.32 109.867 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 50.7 t-80 -57.45 -44.8 85.05 Favored 'General case' 0 C--N 1.354 0.769 0 O-C-N 124.113 0.883 . . . . 64.3 109.601 174.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -68.65 -36.0 77.99 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 114.95 -1.023 . . . . 75.22 111.063 -179.269 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 123' ' ' THR . . . . . 0.492 HG22 ' ND2' ' A' ' 24' ' ' ASN . 33.4 m -69.99 -37.47 75.73 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.21 0.604 . . . . 72.13 109.846 179.733 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 124' ' ' ASN . . . . . 0.51 ' ND2' HG21 ' A' ' 23' ' ' THR . 1.2 m-80 -68.82 -31.12 69.87 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 115.633 -0.712 . . . . 65.51 110.078 176.396 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 125' ' ' MET . . . . . 0.402 ' HE3' ' HA ' ' B' ' 125' ' ' MET . 1.7 mmt -66.22 -41.08 90.61 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 122.901 0.481 . . . . 62.2 111.263 175.118 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 126' ' ' GLU . . . . . 0.643 ' HB2' HD11 ' A' ' 27' ' ' LEU . 10.9 mt-10 -71.39 -33.29 69.37 Favored 'General case' 0 N--CA 1.476 0.87 0 O-C-N 123.342 0.401 . . . . 75.11 109.994 177.081 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 127' ' ' LEU . . . . . 0.444 HD22 HG22 ' A' ' 23' ' ' THR . 53.6 tp -69.48 -35.38 75.53 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.832 0.853 . . . . 74.04 110.619 178.844 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 128' ' ' THR . . . . . . . . . . . . . 87.1 m -74.71 -36.23 62.71 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.649 0.78 . . . . 73.43 110.064 176.611 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -66.13 -39.57 89.97 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 114.563 -1.199 . . . . 72.23 110.022 175.269 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 130' ' ' LEU . . . . . 0.419 ' HB2' ' O ' ' B' ' 126' ' ' GLU . 0.2 OUTLIER -68.23 -46.71 69.79 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.932 0.893 . . . . 74.21 108.957 -179.507 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 25.8 tptp -56.53 -36.3 69.06 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.437 1.495 . . . . 75.34 111.014 174.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 35.5 tp -70.08 -43.04 71.96 Favored 'General case' 0 CA--C 1.543 0.705 0 O-C-N 123.532 0.52 . . . . 73.01 109.988 176.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 133' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -64.2 -28.73 69.95 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 115.97 -0.559 . . . . 71.41 110.738 177.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 134' ' ' LEU . . . . . 0.479 HD22 HD13 ' A' ' 34' ' ' LEU . 32.8 mt . . . . . 0 N--CA 1.483 1.194 0 C-N-CA 122.991 0.517 . . . . 73.21 110.83 176.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.476 0.839 0 N-CA-C 110.229 -0.286 . . . . 73.4 110.229 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.461 ' O ' ' HG2' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -73.86 -31.84 63.35 Favored 'General case' 0 C--N 1.361 1.083 0 N-CA-C 108.982 -0.747 . . . . 73.23 108.982 179.568 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 36.8 tp -53.43 -47.08 69.95 Favored 'General case' 0 C--N 1.366 1.291 0 O-C-N 124.031 0.832 . . . . 74.44 110.389 176.382 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.451 ' HA ' HD13 ' B' ' 105' ' ' LEU . 36.1 t80 -53.84 -45.92 71.06 Favored 'General case' 0 C--N 1.356 0.857 0 O-C-N 124.521 1.138 . . . . 73.14 110.6 176.133 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -70.5 -36.56 73.87 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 115.247 -0.888 . . . . 75.52 113.317 -178.385 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.461 ' HG2' ' O ' ' A' ' 4' ' ' LYS . 11.4 mm-40 -67.33 -59.13 3.66 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 122.86 0.464 . . . . 72.4 111.362 -174.545 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.8 mt -55.21 -47.23 77.8 Favored 'Isoleucine or valine' 0 C--N 1.354 0.797 0 O-C-N 123.981 0.8 . . . . 75.33 110.78 177.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 19.1 tp -70.06 -29.05 65.96 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.006 0.922 . . . . 74.31 112.47 -173.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.15 -46.03 78.89 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 109.34 -0.615 . . . . 73.51 109.34 172.232 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.428 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 42.8 mm-40 -67.16 -28.48 68.15 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.351 0.661 . . . . 75.43 111.621 174.485 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.449 HD21 ' HB3' ' B' ' 112' ' ' GLU . 15.4 t-20 -72.29 -48.23 43.94 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.391 0.677 . . . . 64.32 109.542 -177.232 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -65.47 -33.34 75.71 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-N 115.551 -0.75 . . . . 73.3 109.288 177.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.2 ttpt -66.81 -43.94 82.48 Favored 'General case' 0 C--N 1.356 0.872 0 CA-C-N 115.074 -0.966 . . . . 74.54 109.171 -178.449 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 12' ' ' GLU . 91.9 mt -68.53 -26.97 65.69 Favored 'General case' 0 C--N 1.358 0.937 0 C-N-CA 123.662 0.785 . . . . 75.24 111.093 179.353 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.411 ' HA ' HD23 ' A' ' 20' ' ' LEU . 55.0 mtmt -77.58 -27.01 51.25 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 122.726 0.411 . . . . 71.33 111.356 173.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.473 ' O ' ' HB3' ' A' ' 21' ' ' HIS . . . -74.53 -55.03 6.38 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 123.005 0.522 . . . . 74.02 109.679 178.261 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -64.91 -31.42 72.65 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 123.094 0.558 . . . . 74.12 112.384 -179.768 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' A' ' 17' ' ' LYS . 0.7 OUTLIER -65.33 -45.36 84.54 Favored 'General case' 0 C--N 1.367 1.339 0 N-CA-C 109.319 -0.623 . . . . 75.34 109.319 173.13 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.473 ' HB3' ' O ' ' A' ' 18' ' ' ALA . 2.7 t-80 -47.71 -47.07 30.1 Favored 'General case' 0 N--CA 1.491 1.586 0 C-N-CA 124.132 0.973 . . . . 73.33 110.905 177.173 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -66.19 -49.6 66.77 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 115.16 -0.927 . . . . 72.13 111.398 178.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.575 HG23 HG21 ' B' ' 123' ' ' THR . 7.2 m -66.36 -25.82 66.98 Favored 'General case' 0 N--CA 1.481 1.079 0 O-C-N 123.49 0.494 . . . . 73.4 111.493 -177.715 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.537 ' ND2' HG22 ' B' ' 123' ' ' THR . 0.9 OUTLIER -77.71 -48.41 16.76 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.144 0.978 . . . . 71.31 110.557 -179.285 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 27.6 ptm -66.99 -37.12 83.63 Favored 'General case' 0 N--CA 1.476 0.833 0 O-C-N 123.388 0.43 . . . . 75.31 110.514 -178.113 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.419 ' O ' HD21 ' A' ' 30' ' ' LEU . 13.0 pt-20 -79.49 -25.81 41.74 Favored 'General case' 0 C--O 1.212 -0.874 0 CA-C-N 116.179 -0.464 . . . . 61.35 110.396 -179.541 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.2 tt -61.94 -46.62 88.52 Favored 'General case' 0 C--N 1.356 0.876 0 N-CA-C 108.599 -0.889 . . . . 75.13 108.599 170.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 25.3 m -64.99 -33.41 75.99 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 123.912 0.885 . . . . 74.15 110.702 -177.015 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.461 ' O ' ' HG3' ' A' ' 33' ' ' GLN . 1.2 m-20 -70.31 -52.56 21.84 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.988 0.915 . . . . 75.44 111.19 175.754 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.621 ' O ' ' HB2' ' A' ' 34' ' ' LEU . 3.6 mm? -52.0 -49.39 63.41 Favored 'General case' 0 C--O 1.199 -1.557 0 O-C-N 124.588 1.18 . . . . 73.43 110.264 177.291 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 45.7 tptt -53.13 -54.6 33.38 Favored 'General case' 0 C--O 1.255 1.377 0 C-N-CA 125.869 1.668 . . . . 72.03 112.195 175.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.1 tt -56.81 -61.45 2.42 Favored 'General case' 0 C--O 1.246 0.916 0 CA-C-N 114.454 -1.248 . . . . 74.43 111.58 -173.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.461 ' HG3' ' O ' ' A' ' 29' ' ' ASP . 1.0 OUTLIER -72.13 -24.16 61.42 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 116.063 -0.517 . . . . 55.43 111.687 -176.667 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.647 ' HG ' HD22 ' B' ' 134' ' ' LEU . 2.4 tt . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 108.225 -1.028 . . . . 74.43 108.225 177.326 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 102' ' ' PHE . . . . . 0.408 ' O ' ' HG ' ' B' ' 105' ' ' LEU . 96.7 m-85 . . . . . 0 CA--C 1.542 0.67 0 CA-C-O 120.547 0.213 . . . . 74.54 110.882 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 103' ' ' LYS . . . . . 0.475 ' HD3' ' N ' ' B' ' 104' ' ' LYS . 0.0 OUTLIER -60.0 -31.32 69.81 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-O 121.817 0.818 . . . . 73.54 109.557 177.567 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 104' ' ' LYS . . . . . 0.5 ' O ' ' HG2' ' B' ' 108' ' ' GLN . 0.0 OUTLIER -74.93 -33.43 61.97 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-N 114.174 -1.375 . . . . 73.23 110.835 -179.884 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 105' ' ' LEU . . . . . 0.451 HD13 ' HA ' ' A' ' 6' ' ' TYR . 0.5 OUTLIER -60.04 -41.4 92.2 Favored 'General case' 0 C--N 1.375 1.704 0 N-CA-C 108.022 -1.103 . . . . 65.14 108.022 177.674 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 106' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -59.16 -51.74 68.71 Favored 'General case' 0 C--N 1.368 1.392 0 O-C-N 124.572 1.17 . . . . 72.45 109.417 177.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -59.68 -40.99 89.68 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 113.079 0.77 . . . . 73.21 113.079 -177.091 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 108' ' ' GLN . . . . . 0.5 ' HG2' ' O ' ' B' ' 104' ' ' LYS . 13.8 mm-40 -67.68 -58.97 3.74 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 122.885 0.474 . . . . 75.44 111.225 -176.292 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 19.6 mt -69.55 -36.16 69.76 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.917 0 CA-C-N 115.632 -0.713 . . . . 73.02 110.746 -173.247 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -71.2 -34.26 70.7 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 123.659 0.784 . . . . 75.41 110.344 179.145 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -61.1 -44.36 97.48 Favored 'General case' 0 N--CA 1.486 1.355 0 CA-C-O 120.984 0.421 . . . . 64.31 110.258 174.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 112' ' ' GLU . . . . . 0.449 ' HB3' HD21 ' A' ' 13' ' ' ASN . 4.5 tp10 -66.76 -41.48 87.69 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 115.277 -0.874 . . . . 74.4 110.126 176.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -60.56 -40.08 90.31 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 124.766 1.227 . . . . 75.3 110.842 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -59.61 -52.75 64.2 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.535 1.134 . . . . 73.13 110.072 174.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 14.1 ttpt -56.17 -39.13 71.88 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 114.64 -1.163 . . . . 74.41 110.196 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 116' ' ' LEU . . . . . 0.427 ' HB3' ' HB3' ' A' ' 16' ' ' LEU . 90.5 mt -67.16 -34.43 77.54 Favored 'General case' 0 C--N 1.349 0.577 0 C-N-CA 124.214 1.006 . . . . 74.42 111.9 -179.787 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 49.4 mtmt -72.64 -33.93 66.94 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-O 120.748 0.309 . . . . 75.52 110.948 176.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -73.01 -47.89 41.06 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 115.66 -0.7 . . . . 73.44 110.921 -178.13 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -66.71 -38.43 86.69 Favored 'General case' 0 C--N 1.345 0.382 0 CA-C-N 115.809 -0.632 . . . . 73.41 110.966 -179.183 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 1.7 pp -66.43 -40.65 89.63 Favored 'General case' 0 C--N 1.368 1.395 0 N-CA-C 109.287 -0.635 . . . . 73.43 109.287 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 12.2 t-80 -53.29 -47.79 68.89 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.954 0.901 . . . . 72.42 110.588 176.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 122' ' ' ASP . . . . . 0.437 ' O ' ' HG2' ' B' ' 126' ' ' GLU . 1.2 m-20 -63.33 -52.71 60.72 Favored 'General case' 0 C--O 1.217 -0.643 0 CA-C-N 115.191 -0.913 . . . . 64.33 110.984 177.73 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 123' ' ' THR . . . . . 0.575 HG21 HG23 ' A' ' 23' ' ' THR . 20.7 m -61.7 -27.11 68.47 Favored 'General case' 0 CA--C 1.558 1.259 0 C-N-CA 123.472 0.709 . . . . 74.21 111.748 -179.702 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 124' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -73.96 -48.49 30.08 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.117 0.967 . . . . 74.3 110.115 178.188 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 125' ' ' MET . . . . . . . . . . . . . 27.0 ptm -70.47 -27.52 64.28 Favored 'General case' 0 N--CA 1.475 0.808 0 O-C-N 123.166 0.291 . . . . 74.54 111.086 -178.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 126' ' ' GLU . . . . . 0.496 ' O ' ' HG ' ' B' ' 130' ' ' LEU . 6.9 mm-40 -65.68 -50.46 64.82 Favored 'General case' 0 C--N 1.353 0.74 0 N-CA-C 109.114 -0.698 . . . . 75.41 109.114 171.131 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 127' ' ' LEU . . . . . 0.444 HD22 HG22 ' A' ' 23' ' ' THR . 59.1 tp -56.46 -39.0 72.43 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.973 0.909 . . . . 71.15 111.367 178.761 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 128' ' ' THR . . . . . . . . . . . . . 20.6 m -71.22 -36.41 71.85 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.979 0.911 . . . . 74.14 110.339 178.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -73.89 -29.89 62.31 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.988 0.915 . . . . 73.13 110.592 -179.453 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 130' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' B' ' 126' ' ' GLU . 95.3 mt -71.97 -51.07 23.78 Favored 'General case' 0 C--N 1.351 0.661 0 C-N-CA 123.492 0.717 . . . . 74.21 109.693 179.138 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 131' ' ' LYS . . . . . 0.404 ' HA ' HD21 ' B' ' 134' ' ' LEU . 0.2 OUTLIER -64.72 -29.76 70.76 Favored 'General case' 0 C--N 1.358 0.975 0 O-C-N 123.66 0.6 . . . . 75.22 109.867 178.877 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 38.3 tp -65.39 -37.52 87.22 Favored 'General case' 0 C--N 1.359 0.99 0 C-N-CA 123.523 0.729 . . . . 75.43 109.929 173.181 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 133' ' ' GLN . . . . . 0.43 ' HB3' HD23 ' A' ' 34' ' ' LEU . 21.6 mt-30 -79.18 -16.14 57.03 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 123.052 0.541 . . . . 73.22 111.965 177.428 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 134' ' ' LEU . . . . . 0.647 HD22 ' HG ' ' A' ' 34' ' ' LEU . 3.3 mm? . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.703 -0.48 . . . . 73.45 109.703 168.587 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.519 ' HD3' ' N ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.202 0 CA-C-O 120.834 0.349 . . . . 74.3 110.443 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.519 ' N ' ' HD3' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -80.78 -30.59 36.0 Favored 'General case' 0 C--O 1.212 -0.885 0 CA-C-N 115.46 -0.791 . . . . 75.31 110.081 179.298 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 26.5 tp -56.87 -44.69 82.49 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-O 121.481 0.657 . . . . 75.35 110.223 173.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.483 ' HD1' HD13 ' B' ' 105' ' ' LEU . 30.5 t80 -54.31 -49.77 68.89 Favored 'General case' 0 C--N 1.35 0.596 0 CA-C-N 113.983 -1.462 . . . . 75.22 110.42 173.139 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -67.74 -34.72 77.39 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 124.253 1.021 . . . . 71.2 113.202 -176.128 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.445 ' HG2' ' O ' ' A' ' 4' ' ' LYS . 10.9 mm-40 -65.26 -62.45 1.53 Allowed 'General case' 0 N--CA 1.483 1.213 0 CA-C-N 118.079 0.4 . . . . 72.43 111.566 -177.239 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.547 HD13 ' CD1' ' B' ' 106' ' ' TYR . 20.4 mt -58.37 -41.23 80.85 Favored 'Isoleucine or valine' 0 C--N 1.357 0.928 0 O-C-N 123.263 0.352 . . . . 72.14 111.16 178.01 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.505 ' HA ' ' HB3' ' A' ' 13' ' ' ASN . 14.9 tp -70.44 -24.38 62.88 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.1 0.56 . . . . 73.3 112.168 -178.615 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.74 -45.98 76.92 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 122.589 0.355 . . . . 74.05 110.239 173.579 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -76.88 -22.76 52.96 Favored 'General case' 0 C--O 1.216 -0.693 0 CA-C-N 116.102 -0.499 . . . . 72.11 110.62 176.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.505 ' HB3' ' HA ' ' A' ' 10' ' ' LEU . 26.8 t-20 -66.51 -36.91 83.86 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 123.221 0.608 . . . . 62.14 109.438 172.409 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -67.86 -46.15 72.55 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.048 0.939 . . . . 61.15 110.607 171.117 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.4 ttpt -57.75 -44.71 86.3 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.419 0.687 . . . . 73.11 111.0 179.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.454 ' HB3' ' HB3' ' B' ' 116' ' ' LEU . 80.5 mt -70.08 -30.1 67.25 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.141 0.976 . . . . 70.23 110.417 179.351 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.417 ' HA ' HD22 ' A' ' 20' ' ' LEU . 0.3 OUTLIER -69.83 -33.32 72.14 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.508 0.723 . . . . 75.41 109.64 173.676 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.92 -56.97 4.42 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.451 0.701 . . . . 73.32 109.863 -177.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -63.53 -34.64 78.23 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 115.916 -0.583 . . . . 75.12 112.081 -179.198 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.417 HD22 ' HA ' ' A' ' 17' ' ' LYS . 0.6 OUTLIER -65.71 -43.03 90.39 Favored 'General case' 0 N--CA 1.486 1.358 0 N-CA-C 109.262 -0.644 . . . . 74.41 109.262 174.895 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.432 ' O ' ' HG2' ' A' ' 25' ' ' MET . 23.7 t60 -58.08 -45.06 87.77 Favored 'General case' 0 C--N 1.353 0.741 0 O-C-N 124.148 0.905 . . . . 72.54 109.309 -177.708 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -60.84 -46.98 88.44 Favored 'General case' 0 N--CA 1.468 0.465 0 O-C-N 123.926 0.766 . . . . 71.51 110.909 175.467 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.54 HG23 ' ND2' ' B' ' 124' ' ' ASN . 21.5 m -66.15 -29.18 69.42 Favored 'General case' 0 N--CA 1.478 0.945 0 O-C-N 123.606 0.566 . . . . 73.1 111.222 -177.72 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.513 ' ND2' HG22 ' B' ' 123' ' ' THR . 0.9 OUTLIER -75.06 -46.08 37.23 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.706 0.802 . . . . 73.14 109.568 -179.938 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.432 ' HG2' ' O ' ' A' ' 21' ' ' HIS . 32.1 mmt -63.1 -47.91 80.84 Favored 'General case' 0 C--N 1.354 0.77 0 C-N-CA 123.089 0.556 . . . . 65.15 111.073 179.315 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.429 ' O ' ' HB2' ' A' ' 30' ' ' LEU . 12.6 pt-20 -72.3 -24.93 61.4 Favored 'General case' 0 C--O 1.21 -1.024 0 CA-C-O 118.865 -0.588 . . . . 65.31 111.373 -177.359 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.544 HD11 ' HB2' ' B' ' 126' ' ' GLU . 6.7 tt -67.39 -53.5 28.7 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 123.351 0.66 . . . . 74.22 109.484 173.092 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 83.2 m -67.11 -34.79 78.38 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.291 1.036 . . . . 74.3 111.275 -174.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.446 ' O ' ' HG2' ' A' ' 33' ' ' GLN . 6.4 t70 -62.59 -58.38 7.74 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 114.616 -1.175 . . . . 54.31 109.564 172.504 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.806 ' HG ' HD12 ' B' ' 130' ' ' LEU . 21.8 tp -53.4 -38.43 63.4 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.347 1.459 . . . . 72.41 111.028 -178.416 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.524 ' HA ' HD13 ' B' ' 130' ' ' LEU . 40.4 tptt -67.18 -50.18 61.95 Favored 'General case' 0 C--O 1.252 1.229 0 C-N-CA 126.333 1.853 . . . . 74.41 111.808 179.511 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 46.8 tp -59.69 -56.38 22.55 Favored 'General case' 0 C--O 1.246 0.875 0 CA-C-N 115.04 -0.982 . . . . 71.24 110.469 -176.277 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.446 ' HG2' ' O ' ' A' ' 29' ' ' ASP . 4.4 pt20 -65.67 -32.87 74.68 Favored 'General case' 0 CA--C 1.553 1.06 0 CA-C-N 115.336 -0.847 . . . . 55.54 111.562 178.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.563 HD23 HD11 ' B' ' 130' ' ' LEU . 29.0 tp . . . . . 0 N--CA 1.49 1.568 0 C-N-CA 123.628 0.771 . . . . 73.4 109.996 178.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 102' ' ' PHE . . . . . 0.535 ' HB3' HD22 ' B' ' 105' ' ' LEU . 97.4 m-85 . . . . . 0 C--O 1.243 0.739 0 N-CA-C 111.978 0.362 . . . . 73.41 111.978 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.24 -38.96 77.89 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 109.706 -0.479 . . . . 74.11 109.706 173.235 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 104' ' ' LYS . . . . . 0.478 ' O ' ' HG2' ' B' ' 108' ' ' GLN . 0.0 OUTLIER -64.43 -40.04 95.0 Favored 'General case' 0 C--O 1.208 -1.105 0 CA-C-N 115.159 -0.928 . . . . 74.1 109.931 178.61 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 105' ' ' LEU . . . . . 0.535 HD22 ' HB3' ' B' ' 102' ' ' PHE . 0.0 OUTLIER -55.93 -49.83 72.42 Favored 'General case' 0 C--O 1.253 1.283 0 O-C-N 123.778 0.673 . . . . 75.53 109.342 -178.106 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 106' ' ' TYR . . . . . 0.547 ' CD1' HD13 ' A' ' 9' ' ' ILE . 37.1 t80 -54.15 -48.7 70.57 Favored 'General case' 0 C--N 1.354 0.784 0 O-C-N 124.669 1.231 . . . . 75.51 109.512 179.098 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -67.64 -38.7 84.22 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.218 1.007 . . . . 75.42 113.355 -176.444 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 108' ' ' GLN . . . . . 0.478 ' HG2' ' O ' ' B' ' 104' ' ' LYS . 11.5 mm-40 -69.46 -54.66 13.19 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 122.725 0.41 . . . . 71.44 111.392 -173.786 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 23.5 mt -67.01 -34.7 71.59 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.787 0 O-C-N 123.527 0.517 . . . . 74.31 110.106 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -68.0 -34.36 76.37 Favored 'General case' 0 N--CA 1.491 1.591 0 C-N-CA 122.979 0.511 . . . . 72.44 110.839 176.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -67.95 -34.63 76.95 Favored 'General case' 0 N--CA 1.486 1.352 0 CA-C-O 120.943 0.402 . . . . 74.34 110.721 175.284 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 112' ' ' GLU . . . . . 0.453 ' O ' ' HG ' ' B' ' 116' ' ' LEU . 29.3 tp10 -74.18 -38.04 63.77 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 115.758 -0.655 . . . . 75.54 110.04 177.16 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -67.46 -39.11 85.31 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.322 1.449 . . . . 74.13 109.187 178.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 114' ' ' GLU . . . . . 0.45 ' HA ' ' HE3' ' B' ' 117' ' ' LYS . 0.9 OUTLIER -58.5 -50.85 72.27 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 125.283 1.433 . . . . 65.45 109.097 174.875 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 15.1 ttpt -55.31 -37.83 67.9 Favored 'General case' 0 C--N 1.349 0.556 0 CA-C-N 114.263 -1.335 . . . . 75.2 109.963 179.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 116' ' ' LEU . . . . . 0.454 ' HB3' ' HB3' ' A' ' 16' ' ' LEU . 93.9 mt -66.57 -33.62 76.09 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 115.268 -0.878 . . . . 73.14 112.577 179.274 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 117' ' ' LYS . . . . . 0.45 ' HE3' ' HA ' ' B' ' 114' ' ' GLU . 0.0 OUTLIER -67.88 -37.25 81.55 Favored 'General case' 0 N--CA 1.499 1.996 0 CA-C-N 118.442 0.565 . . . . 74.02 111.264 172.511 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -69.94 -49.65 49.83 Favored 'General case' 0 C--O 1.242 0.683 0 CA-C-N 116.121 -0.49 . . . . 72.52 110.601 -177.166 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -67.57 -39.21 84.91 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 115.332 -0.849 . . . . 63.55 110.956 -176.63 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 1.7 pp -65.87 -40.36 91.55 Favored 'General case' 0 C--N 1.37 1.47 0 N-CA-C 109.38 -0.6 . . . . 74.15 109.38 -179.269 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 121' ' ' HIS . . . . . 0.436 ' O ' ' HG2' ' B' ' 125' ' ' MET . 61.3 t60 -57.16 -46.83 82.42 Favored 'General case' 0 C--N 1.356 0.867 0 O-C-N 124.193 0.933 . . . . 64.34 109.752 178.456 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 122' ' ' ASP . . . . . 0.509 ' O ' ' HG3' ' B' ' 126' ' ' GLU . 22.2 t70 -70.08 -39.57 75.52 Favored 'General case' 0 N--CA 1.475 0.777 0 O-C-N 123.777 0.673 . . . . 72.42 111.387 -178.29 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 123' ' ' THR . . . . . 0.513 HG22 ' ND2' ' A' ' 24' ' ' ASN . 26.8 m -65.16 -32.13 73.67 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.398 0.679 . . . . 74.1 110.148 178.463 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 124' ' ' ASN . . . . . 0.54 ' ND2' HG23 ' A' ' 23' ' ' THR . 1.0 OUTLIER -72.76 -35.81 67.55 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 115.694 -0.685 . . . . 73.44 110.408 175.576 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 125' ' ' MET . . . . . 0.436 ' HG2' ' O ' ' B' ' 121' ' ' HIS . 83.0 mmm -64.9 -38.9 92.52 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.119 0.568 . . . . 73.24 111.594 176.804 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 126' ' ' GLU . . . . . 0.544 ' HB2' HD11 ' A' ' 27' ' ' LEU . 23.8 mt-10 -66.34 -44.73 82.46 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 109.203 -0.666 . . . . 74.22 109.203 175.533 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 127' ' ' LEU . . . . . 0.514 HD21 HG21 ' A' ' 23' ' ' THR . 45.9 tp -62.39 -37.16 84.7 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.906 1.283 . . . . 72.45 111.7 179.388 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 128' ' ' THR . . . . . . . . . . . . . 98.8 m -71.44 -43.86 65.91 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.68 0.792 . . . . 71.01 109.841 -179.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -65.16 -34.34 78.15 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 115.602 -0.726 . . . . 75.1 110.139 176.481 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 130' ' ' LEU . . . . . 0.806 HD12 ' HG ' ' A' ' 30' ' ' LEU . 0.2 OUTLIER -72.21 -47.67 48.76 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 115.548 -0.751 . . . . 74.24 109.941 -175.934 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 131' ' ' LYS . . . . . 0.4 ' HA ' ' HB2' ' B' ' 134' ' ' LEU . 0.5 OUTLIER -69.23 -23.62 63.9 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 109.882 -0.414 . . . . 74.24 109.882 -179.857 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 40.4 tp -70.86 -43.74 67.84 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 123.438 0.695 . . . . 73.44 109.69 172.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 133' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -63.73 -30.49 71.59 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.159 0.583 . . . . 74.32 109.98 173.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 134' ' ' LEU . . . . . 0.4 ' HB2' ' HA ' ' B' ' 131' ' ' LYS . 0.2 OUTLIER . . . . . 0 N--CA 1.47 0.568 0 C-N-CA 124.067 0.947 . . . . 70.42 108.635 -177.658 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.897 0 N-CA-C 109.015 -0.735 . . . . 75.23 109.015 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.456 ' O ' ' HG2' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -75.62 -29.55 59.25 Favored 'General case' 0 C--O 1.214 -0.781 0 CA-C-N 114.863 -1.062 . . . . 73.02 109.181 176.677 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 30.7 tp -54.47 -48.75 71.43 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.501 0.721 . . . . 74.32 110.467 174.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -56.5 -43.04 79.32 Favored 'General case' 0 C--N 1.354 0.771 0 O-C-N 124.532 1.145 . . . . 74.12 110.576 176.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -66.37 -39.77 89.31 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 123.976 0.91 . . . . 72.32 112.448 178.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.456 ' HG2' ' O ' ' A' ' 4' ' ' LYS . 13.3 mm-40 -65.07 -59.1 4.5 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 122.919 0.488 . . . . 72.14 111.519 -174.48 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.5 mt -58.96 -49.56 82.76 Favored 'Isoleucine or valine' 0 C--N 1.352 0.71 0 O-C-N 124.12 0.888 . . . . 62.03 110.38 -178.313 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.5 ' HA ' ' HB3' ' A' ' 13' ' ' ASN . 20.1 tp -70.62 -26.0 63.29 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 124.474 1.108 . . . . 73.45 112.623 -173.141 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.95 -51.34 69.69 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 122.582 0.353 . . . . 73.21 110.057 171.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.453 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 4.4 tp10 -65.27 -45.14 85.72 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-N 115.932 -0.576 . . . . 74.0 110.3 177.113 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.5 ' HB3' ' HA ' ' A' ' 10' ' ' LEU . 24.3 t-20 -57.89 -43.67 86.24 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 125.287 1.435 . . . . 73.14 110.692 -175.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.461 ' HA ' ' HE3' ' A' ' 17' ' ' LYS . 2.5 tt0 -61.63 -53.0 62.01 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 123.83 0.852 . . . . 72.3 110.049 176.342 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.7 ttpt -50.04 -41.18 47.06 Favored 'General case' 0 C--N 1.356 0.851 0 O-C-N 124.478 1.111 . . . . 75.11 110.586 176.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.464 ' HB3' ' HB3' ' B' ' 116' ' ' LEU . 96.0 mt -65.15 -34.31 78.08 Favored 'General case' 0 C--N 1.35 0.627 0 O-C-N 124.242 0.964 . . . . 73.43 111.796 -177.808 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.461 ' HE3' ' HA ' ' A' ' 14' ' ' GLU . 0.0 OUTLIER -67.48 -35.45 79.2 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 122.388 0.275 . . . . 74.13 111.343 172.267 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.99 -58.6 3.65 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 116.329 -0.396 . . . . 71.14 110.208 -177.233 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -62.61 -32.56 73.59 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.866 0.867 . . . . 75.1 112.343 -177.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.433 ' HB3' HE21 ' B' ' 119' ' ' GLN . 1.3 pp -66.4 -43.58 85.4 Favored 'General case' 0 C--N 1.361 1.105 0 N-CA-C 108.711 -0.848 . . . . 72.11 108.711 174.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 54.2 t60 -62.75 -34.75 77.86 Favored 'General case' 0 C--N 1.356 0.848 0 O-C-N 123.534 0.521 . . . . 73.1 110.338 -175.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -62.65 -56.65 15.78 Favored 'General case' 0 N--CA 1.476 0.863 0 O-C-N 124.24 0.962 . . . . 74.44 110.256 171.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.509 HG22 HG22 ' B' ' 123' ' ' THR . 16.2 m -67.27 -26.24 66.46 Favored 'General case' 0 CA--C 1.549 0.938 0 O-C-N 123.672 0.607 . . . . 74.35 112.163 -174.281 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.527 ' ND2' HG23 ' B' ' 123' ' ' THR . 1.0 OUTLIER -78.09 -48.27 16.42 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.699 0.8 . . . . 72.1 109.371 -179.124 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 25.4 ptt? -68.22 -39.55 82.33 Favored 'General case' 0 C--N 1.358 0.96 0 O-C-N 123.515 0.509 . . . . 74.41 109.954 -177.025 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.445 ' O ' ' HB2' ' A' ' 30' ' ' LEU . 16.3 pt-20 -75.41 -28.7 59.5 Favored 'General case' 0 C--N 1.357 0.927 0 CA-C-O 119.006 -0.521 . . . . 74.23 110.073 -177.825 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 66.6 tp -64.47 -43.47 94.11 Favored 'General case' 0 C--N 1.355 0.818 0 C-N-CA 122.815 0.446 . . . . 71.45 110.259 169.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 68.7 m -61.16 -48.96 79.18 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.38 0.672 . . . . 74.2 110.336 -179.036 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -58.95 -44.57 91.46 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.542 0.737 . . . . 73.04 110.745 173.07 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.455 HD12 HE22 ' A' ' 33' ' ' GLN . 13.3 tp -69.04 -40.15 78.77 Favored 'General case' 0 C--N 1.357 0.908 0 O-C-N 123.686 0.617 . . . . 75.11 110.828 -169.783 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.3 -34.45 61.29 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 122.516 0.326 . . . . 74.35 110.857 -178.606 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 28.3 tp -58.64 -58.46 8.45 Favored 'General case' 0 C--N 1.355 0.812 0 O-C-N 124.687 1.242 . . . . 74.4 110.058 -179.091 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.501 HE21 HD12 ' B' ' 134' ' ' LEU . 4.7 pp0? -70.45 -33.83 71.75 Favored 'General case' 0 C--O 1.24 0.554 0 CA-C-N 115.032 -0.985 . . . . 74.24 111.358 -177.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.412 HD22 HD21 ' B' ' 134' ' ' LEU . 1.3 tm? . . . . . 0 C--N 1.354 0.773 0 CA-C-O 118.272 -0.87 . . . . 74.35 110.188 -178.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 102' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 . . . . . 0 N--CA 1.474 0.75 0 N-CA-C 111.701 0.26 . . . . 71.52 111.701 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.28 -38.32 73.76 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.386 0.612 . . . . 74.33 109.658 176.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 104' ' ' LYS . . . . . 0.465 ' O ' ' HG2' ' B' ' 108' ' ' GLN . 0.0 OUTLIER -76.15 -31.35 58.53 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-N 114.953 -1.021 . . . . 75.51 110.565 -178.088 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.22 -43.74 92.29 Favored 'General case' 0 C--N 1.372 1.564 0 N-CA-C 108.046 -1.094 . . . . 64.13 108.046 177.585 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 106' ' ' TYR . . . . . . . . . . . . . 30.9 t80 -57.31 -52.9 63.47 Favored 'General case' 0 C--N 1.369 1.442 0 O-C-N 124.562 1.164 . . . . 71.55 109.16 178.078 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 52.3 mm-40 -63.28 -40.52 97.61 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 124.372 1.045 . . . . 75.15 113.322 -174.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 108' ' ' GLN . . . . . 0.465 ' HG2' ' O ' ' B' ' 104' ' ' LYS . 10.1 mm-40 -66.75 -56.63 9.65 Favored 'General case' 0 N--CA 1.485 1.278 0 O-C-N 123.212 0.32 . . . . 74.35 110.54 -175.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 21.4 mt -67.6 -37.51 78.86 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.798 0 O-C-N 123.696 0.623 . . . . 64.45 110.608 -175.273 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -70.99 -34.83 71.77 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 123.536 0.734 . . . . 71.34 110.657 -178.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -66.68 -41.24 88.41 Favored 'General case' 0 N--CA 1.482 1.173 0 CA-C-N 117.797 0.271 . . . . 63.45 110.476 177.356 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 112' ' ' GLU . . . . . 0.458 ' O ' ' HG ' ' B' ' 116' ' ' LEU . 6.3 tp10 -64.65 -45.56 86.23 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 115.816 -0.629 . . . . 74.13 109.41 174.479 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -57.8 -43.18 85.47 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 125.152 1.381 . . . . 72.44 110.587 -178.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 114' ' ' GLU . . . . . 0.432 ' HA ' ' HE3' ' B' ' 117' ' ' LYS . 4.7 tt0 -57.99 -51.83 68.03 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.642 1.177 . . . . 62.12 110.349 176.777 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 19.6 ttpt -55.18 -39.96 70.16 Favored 'General case' 0 C--N 1.351 0.667 0 O-C-N 124.586 1.179 . . . . 75.1 110.299 177.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 116' ' ' LEU . . . . . 0.464 ' HB3' ' HB3' ' A' ' 16' ' ' LEU . 90.6 mt -65.99 -33.56 76.1 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 124.11 0.881 . . . . 70.41 112.009 -176.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 117' ' ' LYS . . . . . 0.432 ' HE3' ' HA ' ' B' ' 114' ' ' GLU . 0.0 OUTLIER -69.73 -39.68 76.65 Favored 'General case' 0 N--CA 1.487 1.423 0 CA-C-N 118.135 0.425 . . . . 74.12 110.656 173.057 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -66.6 -46.08 77.1 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.219 0.608 . . . . 73.42 110.9 -176.328 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 119' ' ' GLN . . . . . 0.433 HE21 ' HB3' ' A' ' 20' ' ' LEU . 5.1 pp0? -71.16 -39.84 71.67 Favored 'General case' 0 C--N 1.345 0.387 0 CA-C-N 115.265 -0.88 . . . . 75.32 111.039 -176.243 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.5 -38.69 81.18 Favored 'General case' 0 C--N 1.36 1.052 0 N-CA-C 108.999 -0.741 . . . . 73.22 108.999 -179.139 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 15.3 t60 -56.58 -48.14 78.03 Favored 'General case' 0 C--N 1.359 1.002 0 O-C-N 124.039 0.837 . . . . 74.5 109.548 178.247 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -58.63 -54.25 49.19 Favored 'General case' 0 C--N 1.349 0.563 0 O-C-N 124.5 1.125 . . . . 73.42 110.505 176.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 123' ' ' THR . . . . . 0.527 HG23 ' ND2' ' A' ' 24' ' ' ASN . 18.6 m -65.45 -26.81 68.12 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 123.5 0.72 . . . . 75.22 111.978 -174.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 124' ' ' ASN . . . . . 0.415 ' ND2' HG23 ' A' ' 23' ' ' THR . 0.9 OUTLIER -73.21 -44.9 58.92 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 109.318 -0.623 . . . . 73.24 109.318 176.365 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 125' ' ' MET . . . . . 0.518 ' HE1' ' HA ' ' B' ' 125' ' ' MET . 11.7 mmt -68.47 -25.27 64.9 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.243 0.617 . . . . 74.31 111.611 176.771 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -66.8 -49.26 66.41 Favored 'General case' 0 C--N 1.352 0.698 0 N-CA-C 108.839 -0.8 . . . . 74.44 108.839 170.078 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 127' ' ' LEU . . . . . 0.47 HD21 HG21 ' A' ' 23' ' ' THR . 32.2 tp -63.87 -31.82 73.12 Favored 'General case' 0 CA--C 1.554 1.132 0 C-N-CA 124.274 1.03 . . . . 73.55 111.011 -179.241 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 128' ' ' THR . . . . . . . . . . . . . 47.0 m -73.65 -45.88 50.03 Favored 'General case' 0 C--N 1.356 0.867 0 C-N-CA 124.118 0.967 . . . . 74.42 109.764 178.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -58.88 -42.74 90.21 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.03 0.932 . . . . 73.52 110.127 175.427 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -67.66 -40.92 84.46 Favored 'General case' 0 C--O 1.226 -0.158 0 CA-C-N 115.42 -0.809 . . . . 75.43 111.399 -177.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.78 -28.86 67.16 Favored 'General case' 0 CA--C 1.556 1.207 0 N-CA-C 109.185 -0.672 . . . . 74.2 109.185 179.667 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 59.0 tp -68.57 -41.53 79.59 Favored 'General case' 0 C--N 1.357 0.934 0 C-N-CA 123.597 0.759 . . . . 74.33 110.259 171.329 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 133' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -66.7 -32.79 74.33 Favored 'General case' 0 N--CA 1.479 0.988 0 O-C-N 122.255 -0.278 . . . . 73.55 110.437 177.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 134' ' ' LEU . . . . . 0.501 HD12 HE21 ' A' ' 33' ' ' GLN . 1.9 mm? . . . . . 0 N--CA 1.473 0.684 0 C-N-CA 123.483 0.713 . . . . 73.41 110.51 178.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.051 0 N-CA-C 109.768 -0.456 . . . . 75.54 109.768 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.435 ' O ' ' HG2' ' A' ' 8' ' ' GLN . 0.1 OUTLIER -74.37 -24.72 59.2 Favored 'General case' 0 C--N 1.358 0.976 0 CA-C-O 118.793 -0.622 . . . . 74.11 110.018 178.776 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 34.8 tp -53.82 -47.85 70.47 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 122.648 0.379 . . . . 73.31 110.464 172.382 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -54.38 -50.96 66.28 Favored 'General case' 0 C--N 1.353 0.732 0 O-C-N 124.425 1.078 . . . . 73.43 109.949 175.043 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -59.32 -35.08 73.16 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.44 1.096 . . . . 65.01 112.772 -179.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.435 ' HG2' ' O ' ' A' ' 4' ' ' LYS . 11.9 mm-40 -66.32 -62.71 1.33 Allowed 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 122.952 0.501 . . . . 75.25 111.714 -177.365 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.423 HD11 ' CD2' ' B' ' 106' ' ' TYR . 3.2 mt -59.28 -43.63 90.35 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.954 0 O-C-N 123.853 0.72 . . . . 70.42 111.076 178.62 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.99 -31.68 72.41 Favored 'General case' 0 N--CA 1.49 1.575 0 C-N-CA 123.826 0.85 . . . . 62.4 110.976 -176.569 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.72 -43.37 98.98 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-O 121.053 0.454 . . . . 71.31 109.862 174.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.444 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 2.3 tp10 -69.66 -37.09 76.58 Favored 'General case' 0 C--O 1.213 -0.817 0 CA-C-N 114.984 -1.007 . . . . 74.43 110.787 175.83 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -66.45 -45.22 80.54 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 124.874 1.27 . . . . 75.53 110.821 -173.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -67.29 -45.22 77.22 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 114.713 -1.131 . . . . 64.35 110.57 176.118 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.7 ttpt -52.58 -43.69 65.43 Favored 'General case' 0 CA--C 1.549 0.907 0 O-C-N 123.707 0.629 . . . . 74.12 110.585 173.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 12' ' ' GLU . 94.6 mt -69.75 -32.05 70.35 Favored 'General case' 0 C--N 1.356 0.864 0 C-N-CA 123.91 0.884 . . . . 73.34 111.161 -179.693 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.411 ' HB3' ' HE3' ' A' ' 17' ' ' LYS . 0.2 OUTLIER -68.48 -33.6 74.45 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 123.447 0.699 . . . . 74.41 110.231 174.302 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.56 -52.03 14.91 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.409 0.683 . . . . 72.35 110.922 -177.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -66.9 -36.61 82.67 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.269 0.628 . . . . 64.2 112.113 -179.21 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.26 -45.41 88.21 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 109.047 -0.723 . . . . 73.54 109.047 176.148 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 45.6 t-80 -60.2 -42.94 96.15 Favored 'General case' 0 C--N 1.35 0.62 0 O-C-N 124.167 0.917 . . . . 72.33 109.987 -175.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -69.87 -37.45 76.1 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 115.708 -0.678 . . . . 74.43 111.296 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.515 ' HA ' ' HG2' ' A' ' 26' ' ' GLU . 16.2 m -72.97 -29.58 63.17 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 122.594 0.358 . . . . 74.12 110.458 178.308 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.505 ' ND2' HG23 ' B' ' 123' ' ' THR . 0.9 OUTLIER -71.08 -43.88 66.85 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 109.202 -0.666 . . . . 72.35 109.202 177.774 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.504 ' HA ' ' HE1' ' A' ' 25' ' ' MET . 15.8 mmt -63.36 -50.07 71.38 Favored 'General case' 0 C--N 1.346 0.456 0 CA-C-N 116.233 -0.44 . . . . 74.34 111.109 178.099 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.515 ' HG2' ' HA ' ' A' ' 23' ' ' THR . 12.8 pt-20 -68.36 -27.03 65.89 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-O 119.31 -0.376 . . . . 71.45 111.157 -177.743 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 63.3 tp -70.52 -40.88 73.24 Favored 'General case' 0 C--N 1.356 0.868 0 C-N-CA 123.361 0.664 . . . . 63.55 110.636 173.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 87.7 m -63.83 -43.99 94.56 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.294 0.638 . . . . 72.54 109.849 177.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.491 ' O ' ' HG3' ' A' ' 33' ' ' GLN . 5.5 m-20 -59.91 -52.18 66.52 Favored 'General case' 0 C--N 1.345 0.407 0 CA-C-N 115.131 -0.941 . . . . 64.54 109.64 173.354 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.482 HD13 ' HB3' ' B' ' 130' ' ' LEU . 0.3 OUTLIER -64.74 -41.6 95.81 Favored 'General case' 0 C--O 1.207 -1.159 0 O-C-N 123.653 0.596 . . . . 71.35 109.449 -170.711 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.405 ' HA ' HD13 ' B' ' 130' ' ' LEU . 0.0 OUTLIER -69.15 -36.77 77.77 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 110.126 -0.324 . . . . 72.41 110.126 -176.151 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 39.7 tp -66.56 -56.52 10.41 Favored 'General case' 0 C--N 1.356 0.879 0 O-C-N 123.83 0.706 . . . . 74.25 110.766 179.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.491 ' HG3' ' O ' ' A' ' 29' ' ' ASP . 0.4 OUTLIER -65.82 -34.23 77.68 Favored 'General case' 0 C--O 1.25 1.08 0 O-C-N 122.242 -0.286 . . . . 73.11 111.532 -179.143 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.5 HD21 ' HA ' ' B' ' 134' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.48 1.061 0 CA-C-O 118.179 -0.915 . . . . 72.54 109.733 178.578 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 102' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 . . . . . 0 N--CA 1.471 0.623 0 N-CA-C 112.731 0.641 . . . . 75.4 112.731 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 103' ' ' LYS . . . . . 0.528 ' HZ3' ' HB3' ' B' ' 103' ' ' LYS . 0.0 OUTLIER -58.62 -36.79 74.62 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 109.793 -0.447 . . . . 73.12 109.793 176.184 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 104' ' ' LYS . . . . . 0.43 ' O ' ' HG2' ' B' ' 108' ' ' GLN . 0.0 OUTLIER -68.47 -35.04 76.99 Favored 'General case' 0 C--N 1.361 1.068 0 CA-C-O 118.559 -0.734 . . . . 75.43 110.835 179.11 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.3 -39.66 95.2 Favored 'General case' 0 C--N 1.369 1.455 0 N-CA-C 108.399 -0.963 . . . . 75.05 108.399 -179.118 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 106' ' ' TYR . . . . . 0.423 ' CD2' HD11 ' A' ' 9' ' ' ILE . 34.1 t80 -61.79 -42.62 99.23 Favored 'General case' 0 C--N 1.359 0.979 0 O-C-N 124.102 0.876 . . . . 74.44 109.161 176.12 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -63.2 -45.3 92.37 Favored 'General case' 0 C--O 1.213 -0.823 0 C-N-CA 123.088 0.555 . . . . 74.12 111.386 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 108' ' ' GLN . . . . . 0.43 ' HG2' ' O ' ' B' ' 104' ' ' LYS . 14.3 mm-40 -67.3 -57.5 6.54 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 122.484 0.313 . . . . 62.04 111.169 -172.485 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 13.9 mt -71.53 -38.18 66.84 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.831 0 CA-C-N 115.513 -0.767 . . . . 73.34 111.011 -172.291 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 110' ' ' LEU . . . . . 0.425 ' HA ' ' HB3' ' B' ' 113' ' ' ASN . 1.5 tm? -74.61 -31.9 62.16 Favored 'General case' 0 N--CA 1.493 1.682 0 C-N-CA 123.005 0.522 . . . . 75.33 110.282 -178.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.89 -44.99 87.83 Favored 'General case' 0 N--CA 1.483 1.211 0 CA-C-O 120.961 0.41 . . . . 71.31 109.901 173.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 112' ' ' GLU . . . . . 0.482 ' O ' ' HG ' ' B' ' 116' ' ' LEU . 38.4 tp10 -63.32 -39.82 95.63 Favored 'General case' 0 C--O 1.209 -1.076 0 CA-C-N 115.005 -0.998 . . . . 74.43 110.538 173.548 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 113' ' ' ASN . . . . . 0.425 ' HB3' ' HA ' ' B' ' 110' ' ' LEU . 24.0 t-20 -63.48 -38.24 90.36 Favored 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 124.709 1.204 . . . . 74.23 110.954 -178.476 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -67.24 -44.97 78.11 Favored 'General case' 0 C--O 1.243 0.743 0 C-N-CA 124.153 0.981 . . . . 62.43 110.11 175.023 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 20.7 ttpt -56.97 -43.01 81.19 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 115.664 -0.698 . . . . 74.13 109.908 174.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 116' ' ' LEU . . . . . 0.482 ' HG ' ' O ' ' B' ' 112' ' ' GLU . 97.8 mt -65.26 -36.92 85.59 Favored 'General case' 0 C--N 1.353 0.76 0 O-C-N 124.276 0.985 . . . . 64.35 110.82 -179.09 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.96 -42.09 97.39 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 123.673 0.789 . . . . 73.34 109.895 177.026 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -75.18 -38.89 60.66 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 115.9 -0.591 . . . . 73.22 111.683 -175.002 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -74.89 -38.53 61.85 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 122.984 0.514 . . . . 72.52 111.059 -177.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 2.9 pp -64.79 -39.04 92.94 Favored 'General case' 0 C--N 1.367 1.343 0 N-CA-C 108.659 -0.867 . . . . 75.14 108.659 177.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 12.2 t60 -57.27 -49.68 75.3 Favored 'General case' 0 C--N 1.355 0.805 0 O-C-N 124.522 1.139 . . . . 72.41 109.224 178.116 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 122' ' ' ASP . . . . . 0.488 ' O ' ' HG2' ' B' ' 126' ' ' GLU . 26.6 t70 -59.66 -48.12 82.93 Favored 'General case' 0 C--N 1.351 0.647 0 O-C-N 124.505 1.128 . . . . 73.35 110.761 179.038 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 123' ' ' THR . . . . . 0.505 HG23 ' ND2' ' A' ' 24' ' ' ASN . 27.0 m -67.09 -33.41 75.43 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.676 0.79 . . . . 72.35 111.416 -175.613 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 124' ' ' ASN . . . . . 0.458 ' ND2' HG22 ' A' ' 23' ' ' THR . 0.9 OUTLIER -71.23 -38.18 72.0 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.344 0.658 . . . . 73.43 109.454 176.179 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 125' ' ' MET . . . . . . . . . . . . . 1.5 mmt -69.46 -32.19 70.95 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.546 0.739 . . . . 74.53 111.656 176.556 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 126' ' ' GLU . . . . . 0.488 ' HG2' ' O ' ' B' ' 122' ' ' ASP . 11.7 mm-40 -64.66 -45.38 86.99 Favored 'General case' 0 C--O 1.215 -0.738 0 N-CA-C 108.651 -0.87 . . . . 74.12 108.651 173.366 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 37.0 tp -66.13 -33.69 76.35 Favored 'General case' 0 CA--C 1.553 1.08 0 C-N-CA 123.677 0.791 . . . . 73.31 111.49 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 128' ' ' THR . . . . . 0.482 ' O ' ' HG3' ' B' ' 131' ' ' LYS . 55.4 m -73.18 -36.37 66.57 Favored 'General case' 0 N--CA 1.484 1.232 0 CA-C-O 121.502 0.667 . . . . 74.4 110.058 177.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 129' ' ' ASP . . . . . 0.438 ' O ' ' HG3' ' B' ' 133' ' ' GLN . 20.5 t70 -69.32 -35.64 76.15 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 115.737 -0.665 . . . . 72.42 109.505 173.708 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 130' ' ' LEU . . . . . 0.482 ' HB3' HD13 ' A' ' 30' ' ' LEU . 1.1 mm? -71.96 -35.68 69.64 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 123.995 0.918 . . . . 73.21 111.513 -177.639 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 131' ' ' LYS . . . . . 0.482 ' HG3' ' O ' ' B' ' 128' ' ' THR . 0.1 OUTLIER -73.39 -30.6 63.37 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 108.967 -0.753 . . . . 65.42 108.967 177.13 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 51.0 tp -65.53 -46.08 80.98 Favored 'General case' 0 C--N 1.356 0.876 0 CA-C-N 116.121 -0.49 . . . . 74.55 109.886 174.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 133' ' ' GLN . . . . . 0.438 ' HG3' ' O ' ' B' ' 129' ' ' ASP . 40.5 mt-30 -63.05 -35.38 80.05 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 116.164 -0.471 . . . . 73.31 109.817 174.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 134' ' ' LEU . . . . . 0.5 ' HA ' HD21 ' A' ' 34' ' ' LEU . 1.4 tm? . . . . . 0 C--N 1.355 0.819 0 C-N-CA 124.199 0.999 . . . . 75.31 109.472 -176.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.474 0.762 0 N-CA-C 109.587 -0.523 . . . . 72.13 109.587 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.8 -26.28 34.53 Favored 'General case' 0 C--O 1.211 -0.965 0 CA-C-O 118.725 -0.655 . . . . 72.35 109.649 -178.162 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 19.5 tp -54.69 -48.76 72.03 Favored 'General case' 0 N--CA 1.491 1.604 0 CA-C-O 121.304 0.573 . . . . 75.01 109.604 176.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -54.54 -51.86 63.85 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-N 113.743 -1.571 . . . . 73.21 109.927 173.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -60.1 -36.26 77.03 Favored 'General case' 0 C--O 1.216 -0.675 0 O-C-N 124.127 0.892 . . . . 74.55 112.793 -176.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 -63.84 -63.96 1.02 Allowed 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 122.657 0.383 . . . . 74.55 110.719 -175.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.545 HD13 ' HB2' ' B' ' 110' ' ' LEU . 18.5 mt -60.91 -41.03 87.32 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.033 0 CA-C-O 119.321 -0.371 . . . . 72.31 111.396 178.514 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.16 -30.23 70.67 Favored 'General case' 0 N--CA 1.491 1.576 0 C-N-CA 123.324 0.65 . . . . 72.12 110.757 -177.233 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.48 -50.74 68.49 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 122.601 0.36 . . . . 74.5 110.48 179.052 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.453 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 36.6 tt0 -67.67 -38.16 83.35 Favored 'General case' 0 C--O 1.213 -0.84 0 CA-C-N 116.196 -0.456 . . . . 70.33 109.961 176.564 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -60.09 -37.88 81.25 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 124.543 1.137 . . . . 74.13 110.854 -179.626 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -65.39 -49.91 67.51 Favored 'General case' 0 C--O 1.242 0.683 0 C-N-CA 124.449 1.1 . . . . 75.4 109.902 175.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.6 ttpt -55.31 -42.0 73.14 Favored 'General case' 0 C--O 1.211 -0.944 0 O-C-N 124.3 1.0 . . . . 75.44 109.778 176.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.471 ' HB3' ' HB3' ' B' ' 116' ' ' LEU . 95.3 mt -65.91 -37.2 85.47 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.616 1.166 . . . . 64.23 111.317 -176.678 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.446 ' HA ' HD21 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -66.46 -36.71 83.44 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 115.857 -0.611 . . . . 74.4 109.665 176.174 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.25 -51.09 16.37 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 115.459 -0.791 . . . . 54.33 111.055 -175.072 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -66.71 -34.25 77.43 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.738 0.815 . . . . 75.51 112.053 -178.732 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.446 HD21 ' HA ' ' A' ' 17' ' ' LYS . 0.5 OUTLIER -67.46 -41.84 84.0 Favored 'General case' 0 C--N 1.351 0.673 0 N-CA-C 108.409 -0.96 . . . . 73.23 108.409 176.275 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -58.41 -41.58 85.28 Favored 'General case' 0 C--N 1.357 0.911 0 O-C-N 123.813 0.695 . . . . 73.01 109.998 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -62.17 -57.28 12.1 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 123.417 0.448 . . . . 63.3 110.546 175.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.525 HG22 HG23 ' B' ' 123' ' ' THR . 22.4 m -60.9 -30.72 70.35 Favored 'General case' 0 CA--C 1.548 0.892 0 O-C-N 124.31 1.006 . . . . 73.25 111.847 -174.358 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.595 ' ND2' HG21 ' B' ' 123' ' ' THR . 0.9 OUTLIER -74.36 -48.67 26.64 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.554 0.742 . . . . 72.44 109.512 177.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.415 ' HE3' ' HA ' ' A' ' 25' ' ' MET . 9.3 mmt -63.11 -43.82 97.39 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.354 0.662 . . . . 75.23 111.956 -179.12 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -78.7 -22.03 47.25 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 122.773 0.429 . . . . 70.0 110.614 -177.153 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.8 tt -65.2 -40.86 94.75 Favored 'General case' 0 C--N 1.354 0.803 0 N-CA-C 108.904 -0.776 . . . . 75.31 108.904 166.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 20.3 m -63.46 -42.87 98.63 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 123.243 0.617 . . . . 74.12 110.188 179.169 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -59.45 -47.81 84.05 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-N 115.807 -0.633 . . . . 75.24 110.097 170.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.1 mp -62.65 -39.87 95.23 Favored 'General case' 0 C--O 1.214 -0.81 0 O-C-N 124.454 1.097 . . . . 72.21 111.866 -173.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.13 -34.67 59.43 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 122.685 0.394 . . . . 72.11 111.158 -177.634 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 63.3 tp -68.16 -49.38 61.33 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 124.156 0.91 . . . . 73.23 110.057 -177.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -69.37 -40.6 77.34 Favored 'General case' 0 CA--C 1.55 0.974 0 CA-C-N 115.517 -0.765 . . . . 73.22 109.86 179.284 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.1 tm? . . . . . 0 N--CA 1.476 0.844 0 CA-C-O 118.073 -0.965 . . . . 74.14 109.794 -177.05 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 102' ' ' PHE . . . . . 0.42 ' O ' ' HG ' ' B' ' 105' ' ' LEU . 98.5 m-85 . . . . . 0 N--CA 1.478 0.958 0 N-CA-C 111.913 0.338 . . . . 64.15 111.913 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.56 -37.15 70.15 Favored 'General case' 0 N--CA 1.481 1.122 0 CA-C-O 121.28 0.562 . . . . 75.13 109.728 174.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 104' ' ' LYS . . . . . 0.491 ' O ' ' HG2' ' B' ' 108' ' ' GLN . 0.0 OUTLIER -68.43 -35.45 77.64 Favored 'General case' 0 C--O 1.211 -0.955 0 CA-C-N 114.718 -1.128 . . . . 75.24 110.857 179.36 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 105' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' B' ' 102' ' ' PHE . 0.5 OUTLIER -60.94 -42.92 99.13 Favored 'General case' 0 C--N 1.376 1.721 0 N-CA-C 108.754 -0.832 . . . . 73.43 108.754 179.166 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 106' ' ' TYR . . . . . 0.469 ' CD2' HD12 ' A' ' 9' ' ' ILE . 44.4 t80 -57.01 -47.46 80.82 Favored 'General case' 0 C--N 1.356 0.877 0 CA-C-N 114.906 -1.043 . . . . 75.23 109.906 177.459 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -68.48 -42.57 78.5 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 123.83 0.852 . . . . 63.42 113.114 -177.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 108' ' ' GLN . . . . . 0.491 ' HG2' ' O ' ' B' ' 104' ' ' LYS . 11.5 mm-40 -66.09 -51.51 57.4 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 122.665 0.386 . . . . 72.54 110.859 -174.203 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 18.0 mt -69.0 -38.1 78.04 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.731 0 CA-C-N 115.993 -0.549 . . . . 74.32 110.702 -178.172 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 110' ' ' LEU . . . . . 0.545 ' HB2' HD13 ' A' ' 9' ' ' ILE . 20.8 tp -74.17 -27.19 60.71 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 122.504 0.322 . . . . 71.4 111.614 -178.822 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -67.0 -41.49 86.62 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-O 120.828 0.347 . . . . 75.41 110.067 172.017 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 112' ' ' GLU . . . . . 0.466 ' O ' ' HG ' ' B' ' 116' ' ' LEU . 24.9 tp10 -67.82 -41.75 82.58 Favored 'General case' 0 C--O 1.211 -0.945 0 CA-C-N 115.284 -0.871 . . . . 75.41 110.357 175.563 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 34.5 t-20 -65.38 -42.2 92.96 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 124.686 1.194 . . . . 60.44 110.332 -177.68 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -59.01 -47.63 84.51 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.372 1.069 . . . . 74.32 110.432 173.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 29.9 ttpt -58.16 -47.12 84.37 Favored 'General case' 0 C--N 1.347 0.479 0 CA-C-N 115.343 -0.844 . . . . 74.24 109.976 177.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 116' ' ' LEU . . . . . 0.471 ' HB3' ' HB3' ' A' ' 16' ' ' LEU . 95.4 mt -64.03 -29.39 70.54 Favored 'General case' 0 C--N 1.351 0.667 0 O-C-N 124.049 0.843 . . . . 70.24 110.901 -176.759 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 117' ' ' LYS . . . . . 0.437 ' HA ' HD23 ' B' ' 120' ' ' LEU . 0.2 OUTLIER -68.87 -44.39 73.4 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 123.758 0.823 . . . . 74.11 110.29 176.514 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -70.26 -45.74 65.81 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 115.175 -0.921 . . . . 64.02 111.3 -176.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -72.91 -31.77 64.89 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.753 0.821 . . . . 63.43 111.494 -175.265 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 120' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' B' ' 117' ' ' LYS . 0.9 OUTLIER -67.36 -43.79 80.57 Favored 'General case' 0 C--N 1.359 0.979 0 N-CA-C 109.105 -0.702 . . . . 72.34 109.105 175.709 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 44.3 t-80 -60.23 -37.63 80.92 Favored 'General case' 0 C--N 1.357 0.898 0 O-C-N 123.984 0.803 . . . . 75.33 110.221 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 122' ' ' ASP . . . . . 0.518 ' O ' ' HG2' ' B' ' 126' ' ' GLU . 20.3 t70 -59.14 -60.91 3.1 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 114.502 -1.227 . . . . 75.53 110.385 171.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 123' ' ' THR . . . . . 0.595 HG21 ' ND2' ' A' ' 24' ' ' ASN . 16.8 m -61.47 -26.02 67.63 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 122.966 0.507 . . . . 75.31 112.108 -176.387 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 124' ' ' ASN . . . . . 0.433 ' ND2' HG23 ' A' ' 23' ' ' THR . 1.0 OUTLIER -71.45 -42.21 68.47 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.375 0.67 . . . . 73.33 110.535 177.582 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 125' ' ' MET . . . . . 0.472 ' HG2' ' O ' ' B' ' 122' ' ' ASP . 22.5 ptp -74.2 -27.19 60.69 Favored 'General case' 0 C--N 1.358 0.949 0 N-CA-C 110.3 -0.259 . . . . 73.04 110.3 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 126' ' ' GLU . . . . . 0.518 ' HG2' ' O ' ' B' ' 122' ' ' ASP . 8.8 mm-40 -68.67 -42.88 77.25 Favored 'General case' 0 C--N 1.354 0.769 0 N-CA-C 109.199 -0.667 . . . . 75.2 109.199 173.734 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 9.3 tt -62.5 -38.74 91.08 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.479 0.712 . . . . 75.53 109.975 176.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 128' ' ' THR . . . . . . . . . . . . . 84.2 m -64.48 -36.55 84.56 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.681 0.792 . . . . 71.33 110.964 176.375 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 129' ' ' ASP . . . . . 0.412 ' O ' ' HG3' ' B' ' 133' ' ' GLN . 13.3 t70 -62.76 -47.72 82.3 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.055 0.542 . . . . 74.2 109.894 174.057 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 130' ' ' LEU . . . . . 0.472 HD11 ' NE2' ' B' ' 133' ' ' GLN . 3.2 mm? -60.09 -37.92 81.38 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 123.904 0.753 . . . . 75.41 111.823 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 9.7 mtmp? -60.92 -55.16 36.23 Favored 'General case' 0 C--N 1.354 0.769 0 N-CA-C 109.476 -0.564 . . . . 75.14 109.476 173.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 42.2 tp -52.29 -39.11 60.07 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 124.971 1.42 . . . . 72.11 111.487 -176.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 133' ' ' GLN . . . . . 0.472 ' NE2' HD11 ' B' ' 130' ' ' LEU . 40.9 mt-30 -69.24 -36.92 77.67 Favored 'General case' 0 C--O 1.215 -0.727 0 C-N-CA 122.672 0.389 . . . . 71.35 111.005 178.283 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 54.8 mt . . . . . 0 N--CA 1.488 1.462 0 C-N-CA 123.091 0.556 . . . . 75.05 110.473 173.81 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.155 0 CA-C-O 121.391 0.615 . . . . 72.31 109.484 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.455 ' O ' ' HG2' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -78.72 -30.59 45.97 Favored 'General case' 0 C--O 1.211 -0.948 0 CA-C-N 115.087 -0.96 . . . . 75.42 109.833 177.205 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.426 ' O ' HG13 ' A' ' 9' ' ' ILE . 36.0 tp -53.52 -46.26 70.04 Favored 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 122.771 0.428 . . . . 73.24 110.193 174.24 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -55.47 -49.42 72.55 Favored 'General case' 0 C--N 1.355 0.833 0 O-C-N 124.824 1.327 . . . . 72.51 109.712 176.124 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 46.8 mm-40 -59.59 -38.27 80.76 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.344 1.058 . . . . 72.25 112.496 179.006 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.455 ' HG2' ' O ' ' A' ' 4' ' ' LYS . 10.9 mm-40 -68.69 -51.91 36.63 Favored 'General case' 0 N--CA 1.483 1.201 0 O-C-N 123.545 0.528 . . . . 75.34 111.141 -175.291 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.426 HG13 ' O ' ' A' ' 5' ' ' LEU . 3.8 mt -62.85 -49.42 83.74 Favored 'Isoleucine or valine' 0 C--N 1.359 1.02 0 O-C-N 123.521 0.513 . . . . 71.02 109.892 178.519 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.18 -27.29 69.26 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 124.683 1.193 . . . . 72.54 110.603 -177.299 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.75 -56.82 17.03 Favored 'General case' 0 N--CA 1.482 1.128 0 CA-C-O 121.35 0.595 . . . . 73.22 110.22 173.317 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.487 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 27.5 tp10 -66.26 -34.29 77.66 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 115.214 -0.903 . . . . 75.33 110.592 178.494 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -67.51 -46.25 73.41 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.342 1.057 . . . . 75.45 109.991 -175.214 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.407 ' HA ' ' HE3' ' A' ' 17' ' ' LYS . 4.2 pt-20 -63.42 -37.17 86.24 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.756 0.823 . . . . 73.52 108.782 178.831 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.4 ttpt -62.01 -42.87 99.62 Favored 'General case' 0 C--N 1.362 1.149 0 CA-C-N 114.726 -1.125 . . . . 74.35 109.192 178.404 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' A' ' 12' ' ' GLU . 95.3 mt -66.45 -30.75 71.17 Favored 'General case' 0 C--N 1.358 0.953 0 O-C-N 124.138 0.899 . . . . 72.21 112.024 -177.497 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.416 ' HA ' HD21 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -73.59 -32.83 64.32 Favored 'General case' 0 N--CA 1.49 1.569 0 CA-C-N 117.869 0.304 . . . . 72.13 111.347 172.832 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.5 -52.43 21.99 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 110.07 -0.344 . . . . 73.31 110.07 -177.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -68.01 -32.69 73.25 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.839 0.856 . . . . 74.31 112.05 -178.237 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.416 HD21 ' HA ' ' A' ' 17' ' ' LYS . 0.8 OUTLIER -65.39 -42.1 93.0 Favored 'General case' 0 C--N 1.367 1.351 0 N-CA-C 108.718 -0.845 . . . . 74.12 108.718 176.389 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.541 ' O ' ' HG3' ' A' ' 25' ' ' MET . 61.8 t60 -58.26 -47.83 82.35 Favored 'General case' 0 C--N 1.359 0.991 0 O-C-N 124.489 1.118 . . . . 74.4 109.475 -179.816 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.406 ' HA ' ' HE1' ' A' ' 25' ' ' MET . 10.3 m-20 -56.4 -51.26 68.99 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 124.317 1.011 . . . . 73.54 111.384 176.663 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.519 HG21 HD21 ' B' ' 127' ' ' LEU . 18.5 m -64.03 -29.83 70.94 Favored 'General case' 0 CA--C 1.549 0.939 0 O-C-N 124.272 0.983 . . . . 71.22 111.045 -177.561 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.482 ' ND2' HG23 ' B' ' 123' ' ' THR . 1.0 OUTLIER -70.96 -50.55 33.25 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.24 0.616 . . . . 74.22 110.252 176.686 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.541 ' HG3' ' O ' ' A' ' 21' ' ' HIS . 48.6 mtm -53.04 -58.26 7.59 Favored 'General case' 0 C--N 1.36 1.031 0 C-N-CA 123.902 0.881 . . . . 75.31 111.527 177.539 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.405 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 13.4 pt-20 -64.27 -36.18 83.27 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 124.129 0.893 . . . . 73.43 111.433 -173.68 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.717 HD11 ' HB2' ' B' ' 126' ' ' GLU . 6.3 tt -60.33 -40.78 91.86 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.779 0.832 . . . . 75.32 110.762 172.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.442 HG21 ' HE2' ' A' ' 31' ' ' LYS . 81.6 m -67.11 -39.51 86.69 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.451 0.701 . . . . 74.54 110.765 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -61.21 -44.49 97.19 Favored 'General case' 0 C--O 1.25 1.095 0 O-C-N 123.695 0.622 . . . . 54.31 109.943 173.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 26' ' ' GLU . 7.1 mt -58.55 -60.94 3.02 Favored 'General case' 0 C--N 1.366 1.287 0 O-C-N 124.735 1.272 . . . . 73.3 110.071 -178.552 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.442 ' HE2' HG21 ' A' ' 28' ' ' THR . 0.0 OUTLIER -62.71 -29.36 70.61 Favored 'General case' 0 N--CA 1.481 1.121 0 O-C-N 123.937 0.773 . . . . 70.13 112.753 -174.873 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 42.7 tp -62.71 -69.08 0.28 Allowed 'General case' 0 C--N 1.353 0.723 0 O-C-N 123.693 0.62 . . . . 70.4 109.78 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.6 pp0? -69.97 -21.85 63.21 Favored 'General case' 0 CA--C 1.554 1.099 0 N-CA-C 111.731 0.271 . . . . 75.12 111.731 -177.367 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.351 0 C-N-CA 123.895 0.878 . . . . 75.13 110.222 175.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 102' ' ' PHE . . . . . 0.574 ' HA ' HD21 ' B' ' 105' ' ' LEU . 47.0 m-85 . . . . . 0 C--O 1.246 0.918 0 CA-C-O 120.915 0.388 . . . . 74.44 111.289 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.54 -42.04 87.79 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 108.791 -0.818 . . . . 74.43 108.791 174.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 104' ' ' LYS . . . . . 0.479 ' O ' ' HG2' ' B' ' 108' ' ' GLN . 0.0 OUTLIER -77.3 -25.89 51.75 Favored 'General case' 0 C--N 1.356 0.869 0 CA-C-O 118.132 -0.937 . . . . 73.34 110.578 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 105' ' ' LEU . . . . . 0.574 HD21 ' HA ' ' B' ' 102' ' ' PHE . 0.3 OUTLIER -59.33 -46.07 89.61 Favored 'General case' 0 C--N 1.372 1.562 0 N-CA-C 107.807 -1.182 . . . . 73.11 107.807 176.286 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 106' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -61.86 -44.91 95.86 Favored 'General case' 0 C--N 1.363 1.184 0 CA-C-N 115.171 -0.922 . . . . 73.25 109.715 177.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 81.8 mm-40 -59.89 -44.72 94.05 Favored 'General case' 0 C--N 1.351 0.636 0 O-C-N 123.65 0.594 . . . . 74.42 112.12 -178.163 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 108' ' ' GLN . . . . . 0.479 ' HG2' ' O ' ' B' ' 104' ' ' LYS . 11.6 mm-40 -70.06 -52.65 22.2 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 123.108 0.255 . . . . 73.11 111.37 -172.569 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 10.4 mt -71.84 -36.17 57.38 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.857 0 O-C-N 123.628 0.58 . . . . 72.15 110.543 -173.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.63 -34.64 69.98 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 122.894 0.478 . . . . 74.2 109.957 178.115 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -62.37 -43.05 99.73 Favored 'General case' 0 N--CA 1.486 1.325 0 CA-C-O 120.902 0.382 . . . . 63.43 110.157 173.298 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -64.35 -42.4 96.25 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 115.083 -0.962 . . . . 71.5 109.515 177.018 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -59.92 -38.97 83.88 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 125.374 1.47 . . . . 64.43 111.206 178.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -62.96 -48.89 76.91 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.771 1.228 . . . . 75.24 110.415 175.144 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 11.6 ttpt -62.26 -39.83 94.2 Favored 'General case' 0 C--N 1.349 0.544 0 CA-C-N 115.186 -0.915 . . . . 74.31 110.289 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 116' ' ' LEU . . . . . 0.425 HD12 ' HB2' ' A' ' 16' ' ' LEU . 81.8 mt -66.01 -33.85 76.76 Favored 'General case' 0 C--N 1.349 0.556 0 CA-C-N 114.83 -1.077 . . . . 74.32 110.57 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 16.8 ttpt -69.88 -40.64 75.55 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.411 0.685 . . . . 73.31 110.534 177.491 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -70.77 -44.23 67.12 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.133 0.573 . . . . 75.13 110.888 -176.66 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -69.93 -40.96 75.2 Favored 'General case' 0 C--N 1.348 0.538 0 CA-C-N 115.565 -0.743 . . . . 74.33 110.804 -178.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 1.4 pp -67.25 -39.43 86.15 Favored 'General case' 0 C--N 1.362 1.133 0 N-CA-C 109.405 -0.591 . . . . 74.32 109.405 -178.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 121' ' ' HIS . . . . . 0.473 ' O ' ' HG2' ' B' ' 125' ' ' MET . 65.4 t60 -58.49 -43.44 89.0 Favored 'General case' 0 C--N 1.356 0.885 0 O-C-N 123.863 0.727 . . . . 72.41 109.615 178.733 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 122' ' ' ASP . . . . . 0.508 ' O ' ' HG3' ' B' ' 126' ' ' GLU . 26.6 t70 -59.9 -51.1 71.14 Favored 'General case' 0 C--N 1.355 0.826 0 O-C-N 124.371 1.045 . . . . 74.41 110.459 176.382 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 123' ' ' THR . . . . . 0.482 HG23 ' ND2' ' A' ' 24' ' ' ASN . 5.0 m -63.43 -28.87 70.27 Favored 'General case' 0 CA--C 1.557 1.227 0 C-N-CA 123.72 0.808 . . . . 72.32 111.054 -177.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 124' ' ' ASN . . . . . 0.498 ' ND2' HG23 ' A' ' 23' ' ' THR . 0.9 OUTLIER -76.98 -35.47 57.17 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.724 0.81 . . . . 70.33 110.458 177.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 125' ' ' MET . . . . . 0.473 ' HG2' ' O ' ' B' ' 121' ' ' HIS . 85.1 mmm -61.94 -40.87 97.01 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.234 0.614 . . . . 75.44 110.947 174.044 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 126' ' ' GLU . . . . . 0.717 ' HB2' HD11 ' A' ' 27' ' ' LEU . 15.9 mt-10 -72.74 -33.38 66.34 Favored 'General case' 0 C--O 1.213 -0.839 0 O-C-N 123.822 0.701 . . . . 71.43 110.077 178.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 127' ' ' LEU . . . . . 0.519 HD21 HG21 ' A' ' 23' ' ' THR . 38.6 tp -64.83 -37.06 86.35 Favored 'General case' 0 CA--C 1.555 1.151 0 C-N-CA 122.977 0.511 . . . . 74.03 110.039 177.828 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 128' ' ' THR . . . . . . . . . . . . . 28.3 m -71.91 -39.48 69.5 Favored 'General case' 0 CA--C 1.561 1.379 0 C-N-CA 124.214 1.006 . . . . 73.4 110.529 175.091 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -62.93 -45.85 90.54 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.595 1.158 . . . . 54.41 110.649 178.091 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 130' ' ' LEU . . . . . 0.48 HD13 ' NE2' ' B' ' 133' ' ' GLN . 1.7 mm? -68.24 -44.52 75.5 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.063 -0.972 . . . . 70.3 110.751 -175.695 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 131' ' ' LYS . . . . . 0.47 ' HA ' HD13 ' B' ' 134' ' ' LEU . 0.0 OUTLIER -65.46 -29.86 70.58 Favored 'General case' 0 C--N 1.357 0.933 0 O-C-N 123.784 0.677 . . . . 74.21 110.628 -179.6 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 5.4 tt -64.3 -53.63 45.85 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.795 0.838 . . . . 73.45 110.715 174.177 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 133' ' ' GLN . . . . . 0.48 ' NE2' HD13 ' B' ' 130' ' ' LEU . 43.2 mt-30 -57.91 -37.24 73.67 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 115.579 -0.737 . . . . 71.55 109.827 177.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 134' ' ' LEU . . . . . 0.47 HD13 ' HA ' ' B' ' 131' ' ' LYS . 19.6 mt . . . . . 0 C--O 1.217 -0.624 0 CA-C-N 114.509 -1.223 . . . . 75.31 111.951 -178.088 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.134 0 N-CA-C 109.998 -0.371 . . . . 75.3 109.998 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.22 -27.8 60.96 Favored 'General case' 0 C--N 1.358 0.977 0 CA-C-O 119.103 -0.475 . . . . 74.32 110.09 177.83 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 25.3 tp -53.87 -46.2 71.24 Favored 'General case' 0 N--CA 1.487 1.382 0 CA-C-O 121.227 0.537 . . . . 72.22 110.093 177.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 21.9 t80 -54.63 -55.06 33.54 Favored 'General case' 0 C--N 1.35 0.592 0 CA-C-N 113.845 -1.525 . . . . 73.42 109.475 173.419 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -57.5 -31.32 65.9 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.754 1.222 . . . . 45.42 113.335 -177.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -66.49 -64.9 0.76 Allowed 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 122.963 0.505 . . . . 74.53 111.579 -178.472 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.449 HD13 ' CD2' ' B' ' 106' ' ' TYR . 17.8 mt -62.47 -40.17 87.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 CA-C-O 119.598 -0.239 . . . . 73.5 110.667 178.746 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.04 -28.32 68.77 Favored 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 123.728 0.811 . . . . 74.51 110.698 -177.247 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.47 -49.35 77.16 Favored 'General case' 0 N--CA 1.482 1.136 0 N-CA-C 109.584 -0.524 . . . . 75.3 109.584 173.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.458 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 3.1 tp10 -68.48 -37.65 80.33 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 114.932 -1.031 . . . . 74.52 111.015 177.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -71.73 -37.16 70.63 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 124.559 1.144 . . . . 70.3 110.333 -173.062 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.458 ' HA ' ' HE2' ' A' ' 17' ' ' LYS . 2.6 tt0 -64.87 -47.18 78.82 Favored 'General case' 0 C--O 1.243 0.718 0 C-N-CA 124.482 1.113 . . . . 74.01 109.982 174.28 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.7 ttpt -54.07 -42.52 69.38 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 124.185 0.928 . . . . 71.53 110.043 172.395 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 12' ' ' GLU . 89.4 mt -65.37 -33.2 75.4 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.731 0.812 . . . . 74.21 111.333 -177.531 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.458 ' HE2' ' HA ' ' A' ' 14' ' ' GLU . 56.8 mtmt -69.54 -34.94 74.94 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 122.804 0.442 . . . . 71.15 110.693 174.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.62 -55.0 8.58 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 115.896 -0.593 . . . . 62.14 110.417 -178.096 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -66.27 -32.78 74.39 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.608 0.763 . . . . 75.02 112.626 -176.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.59 -43.53 80.3 Favored 'General case' 0 C--N 1.357 0.919 0 N-CA-C 108.535 -0.913 . . . . 73.51 108.535 175.332 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.544 ' O ' ' HG3' ' A' ' 25' ' ' MET . 63.5 t60 -51.92 -55.91 17.39 Favored 'General case' 0 C--N 1.359 1.02 0 O-C-N 124.179 0.924 . . . . 72.31 109.627 178.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.566 ' HA ' ' HE1' ' A' ' 25' ' ' MET . 6.8 m-20 -60.28 -47.02 87.77 Favored 'General case' 0 N--CA 1.478 0.937 0 O-C-N 124.092 0.87 . . . . 75.35 112.241 -179.605 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.532 HG23 HG21 ' B' ' 123' ' ' THR . 20.4 m -67.45 -27.73 67.28 Favored 'General case' 0 N--CA 1.479 0.979 0 O-C-N 123.511 0.507 . . . . 62.23 111.231 -177.725 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.46 ' ND2' HG22 ' B' ' 123' ' ' THR . 1.0 OUTLIER -74.14 -45.7 47.14 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.459 0.703 . . . . 64.02 109.967 177.729 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.566 ' HE1' ' HA ' ' A' ' 22' ' ' ASP . 46.0 mtm -54.89 -58.62 6.86 Favored 'General case' 0 C--N 1.363 1.168 0 C-N-CA 123.293 0.637 . . . . 75.32 110.683 173.825 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.452 ' HG2' ' HA ' ' A' ' 23' ' ' THR . 11.3 pt-20 -70.86 -18.64 62.69 Favored 'General case' 0 C--O 1.202 -1.443 0 CA-C-N 115.402 -0.817 . . . . 74.33 111.568 -173.112 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.498 HD11 ' HB2' ' B' ' 126' ' ' GLU . 7.1 tt -67.43 -52.34 40.73 Favored 'General case' 0 C--N 1.356 0.877 0 CA-C-N 118.773 0.715 . . . . 75.14 109.117 168.646 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 29.0 m -62.0 -41.16 97.76 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 123.3 0.64 . . . . 71.55 110.514 -177.149 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.485 ' O ' ' HG2' ' A' ' 33' ' ' GLN . 3.4 m-20 -61.64 -52.88 62.54 Favored 'General case' 0 C--N 1.349 0.547 0 C-N-CA 124.049 0.94 . . . . 72.34 110.511 172.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.428 ' HB2' ' O ' ' A' ' 26' ' ' GLU . 0.9 OUTLIER -56.29 -45.04 80.36 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 124.075 0.95 . . . . 73.32 111.862 -175.37 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.412 ' HE2' ' HB2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -70.97 -37.46 72.76 Favored 'General case' 0 C--O 1.242 0.667 0 O-C-N 123.874 0.734 . . . . 73.4 110.383 -177.932 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.7 tp -61.74 -58.69 7.04 Favored 'General case' 0 C--N 1.352 0.679 0 CA-C-N 115.387 -0.824 . . . . 74.25 109.738 -178.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.485 ' HG2' ' O ' ' A' ' 29' ' ' ASP . 6.2 pt20 -65.66 -33.54 76.14 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 123.464 0.706 . . . . 72.25 111.044 -178.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.455 HD21 HD21 ' B' ' 134' ' ' LEU . 1.6 tm? . . . . . 0 N--CA 1.481 1.083 0 C-N-CA 123.494 0.717 . . . . 70.14 109.416 -179.053 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 102' ' ' PHE . . . . . 0.451 ' O ' ' HG ' ' B' ' 105' ' ' LEU . 95.0 m-85 . . . . . 0 CA--C 1.552 1.027 0 CA-C-O 120.912 0.387 . . . . 75.13 111.045 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.38 -34.71 69.14 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-O 121.859 0.838 . . . . 75.32 110.219 177.182 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.84 -31.64 63.3 Favored 'General case' 0 C--O 1.214 -0.792 0 CA-C-N 114.389 -1.278 . . . . 74.14 109.874 -178.061 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 105' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' B' ' 102' ' ' PHE . 0.5 OUTLIER -61.78 -41.04 97.21 Favored 'General case' 0 C--N 1.384 2.076 0 N-CA-C 108.287 -1.005 . . . . 73.55 108.287 176.748 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 106' ' ' TYR . . . . . 0.449 ' CD2' HD13 ' A' ' 9' ' ' ILE . 37.9 t80 -54.98 -49.36 71.64 Favored 'General case' 0 C--N 1.369 1.426 0 O-C-N 124.309 1.006 . . . . 73.43 109.651 176.017 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -64.52 -35.07 79.77 Favored 'General case' 0 CA--C 1.552 1.031 0 N-CA-C 113.157 0.799 . . . . 71.42 113.157 177.119 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -65.42 -57.67 7.75 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-N 118.691 0.678 . . . . 75.41 110.86 -178.246 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 15.2 mt -70.44 -37.27 69.86 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.703 0 CA-C-N 115.586 -0.733 . . . . 73.24 111.076 -174.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 110' ' ' LEU . . . . . 0.435 ' HA ' ' HB3' ' B' ' 113' ' ' ASN . 1.0 OUTLIER -71.25 -32.3 68.57 Favored 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 122.914 0.485 . . . . 74.24 110.707 179.568 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -65.04 -43.43 92.35 Favored 'General case' 0 N--CA 1.486 1.332 0 N-CA-C 109.805 -0.442 . . . . 72.21 109.805 174.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 112' ' ' GLU . . . . . 0.453 ' O ' ' HG ' ' B' ' 116' ' ' LEU . 52.9 tp10 -64.78 -40.4 95.2 Favored 'General case' 0 C--O 1.204 -1.324 0 CA-C-N 114.939 -1.028 . . . . 73.33 110.239 174.177 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 113' ' ' ASN . . . . . 0.435 ' HB3' ' HA ' ' B' ' 110' ' ' LEU . 23.5 t-20 -65.05 -39.84 93.87 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 125.012 1.325 . . . . 75.53 111.003 -177.525 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -67.89 -45.98 72.95 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.258 1.023 . . . . 70.22 110.013 176.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 28.7 ttpt -57.85 -44.86 86.83 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.638 -0.71 . . . . 75.1 110.025 175.372 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 116' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' B' ' 112' ' ' GLU . 76.1 mt -67.04 -29.0 68.68 Favored 'General case' 0 C--N 1.352 0.705 0 O-C-N 123.976 0.797 . . . . 75.35 110.127 -177.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.33 -44.17 79.76 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.931 0.892 . . . . 73.51 109.843 175.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -70.96 -45.93 63.25 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 115.097 -0.956 . . . . 72.23 111.288 -175.389 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? -69.03 -41.05 78.22 Favored 'General case' 0 C--N 1.351 0.644 0 C-N-CA 123.456 0.702 . . . . 74.33 111.278 -176.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.83 -41.14 92.16 Favored 'General case' 0 C--N 1.362 1.122 0 N-CA-C 109.674 -0.491 . . . . 64.22 109.674 179.466 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 22.7 t-160 -59.71 -45.93 90.63 Favored 'General case' 0 C--N 1.357 0.907 0 O-C-N 124.011 0.82 . . . . 71.52 108.911 179.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 122' ' ' ASP . . . . . 0.525 ' O ' ' HG3' ' B' ' 126' ' ' GLU . 16.0 t70 -59.23 -47.64 84.58 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 124.407 1.067 . . . . 65.14 110.077 176.459 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 123' ' ' THR . . . . . 0.532 HG21 HG23 ' A' ' 23' ' ' THR . 26.8 m -61.58 -35.84 78.97 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 124.381 1.072 . . . . 75.53 111.329 -177.777 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 124' ' ' ASN . . . . . 0.493 ' ND2' HG21 ' A' ' 23' ' ' THR . 1.6 m-80 -72.92 -34.2 66.44 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.266 0.626 . . . . 71.21 110.521 177.877 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 125' ' ' MET . . . . . 0.498 ' HE2' ' HA ' ' B' ' 125' ' ' MET . 14.5 mmt -66.91 -41.72 86.61 Favored 'General case' 0 C--N 1.351 0.647 0 O-C-N 123.463 0.477 . . . . 74.14 110.639 176.533 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 126' ' ' GLU . . . . . 0.525 ' HG3' ' O ' ' B' ' 122' ' ' ASP . 19.6 mt-10 -62.72 -41.32 99.1 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 109.088 -0.708 . . . . 62.55 109.088 176.441 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 29.3 tp -67.69 -27.25 66.67 Favored 'General case' 0 CA--C 1.561 1.389 0 CA-C-N 114.965 -1.016 . . . . 71.44 111.078 176.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 128' ' ' THR . . . . . . . . . . . . . 91.7 m -68.43 -39.38 81.58 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 123.612 0.765 . . . . 65.21 109.992 174.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -57.65 -50.71 72.28 Favored 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 109.435 -0.58 . . . . 61.13 109.435 170.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 130' ' ' LEU . . . . . 0.489 ' HG ' ' O ' ' B' ' 126' ' ' GLU . 80.4 mt -62.28 -37.51 85.77 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.365 0.666 . . . . 74.45 112.47 -173.186 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 131' ' ' LYS . . . . . 0.476 ' HA ' ' HB2' ' B' ' 134' ' ' LEU . 0.0 OUTLIER -80.46 -25.0 39.14 Favored 'General case' 0 C--N 1.355 0.832 0 O-C-N 123.717 0.636 . . . . 74.34 111.401 -179.773 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 57.1 tp -68.62 -54.05 18.84 Favored 'General case' 0 N--CA 1.481 1.08 0 N-CA-C 109.085 -0.709 . . . . 72.45 109.085 173.165 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.84 -29.39 70.14 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.835 0.854 . . . . 74.23 111.24 175.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 134' ' ' LEU . . . . . 0.476 ' HB2' ' HA ' ' B' ' 131' ' ' LYS . 0.2 OUTLIER . . . . . 0 N--CA 1.479 0.996 0 C-N-CA 123.757 0.823 . . . . 74.01 109.268 178.466 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.294 0 CA-C-O 121.426 0.632 . . . . 74.1 110.886 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.8 -33.05 25.03 Favored 'General case' 0 C--O 1.21 -1.022 0 CA-C-N 115.256 -0.884 . . . . 74.54 110.478 -173.611 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.408 HD22 ' HD1' ' B' ' 106' ' ' TYR . 22.9 tp -66.54 -35.48 80.34 Favored 'General case' 0 N--CA 1.49 1.575 0 N-CA-C 109.091 -0.707 . . . . 73.12 109.091 179.411 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.53 ' HA ' HD12 ' B' ' 105' ' ' LEU . 25.8 t80 -55.88 -43.46 77.21 Favored 'General case' 0 C--O 1.215 -0.745 0 CA-C-N 114.248 -1.342 . . . . 74.33 109.301 172.692 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -69.85 -39.73 76.22 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 124.143 0.902 . . . . 72.33 112.863 175.224 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.9 mm-40 -62.93 -61.5 2.35 Favored 'General case' 0 N--CA 1.491 1.614 0 CA-C-N 118.306 0.503 . . . . 74.24 111.262 -173.208 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.0 mt -58.36 -49.6 81.45 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.998 0 O-C-N 123.752 0.657 . . . . 74.34 111.235 177.588 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.556 ' HA ' ' HB3' ' A' ' 13' ' ' ASN . 14.4 tp -68.21 -23.41 64.82 Favored 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 113.062 0.764 . . . . 73.43 113.062 -175.285 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.18 -46.43 80.82 Favored 'General case' 0 N--CA 1.483 1.204 0 CA-C-O 121.252 0.549 . . . . 74.14 109.684 174.502 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.482 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 50.7 tp10 -66.43 -43.58 85.26 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 114.83 -1.077 . . . . 73.22 109.973 174.307 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.556 ' HB3' ' HA ' ' A' ' 10' ' ' LEU . 23.5 t-20 -61.31 -41.39 96.93 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 124.849 1.26 . . . . 75.0 111.859 -176.538 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -66.34 -48.14 71.2 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.208 1.003 . . . . 72.45 109.589 177.47 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 25.9 ttpt -55.37 -43.8 75.43 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 115.15 -0.932 . . . . 74.54 110.274 176.486 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.482 ' HG ' ' O ' ' A' ' 12' ' ' GLU . 82.7 mt -66.85 -32.24 73.38 Favored 'General case' 0 C--N 1.354 0.801 0 CA-C-N 115.111 -0.95 . . . . 73.52 110.821 -178.715 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.93 -37.71 86.74 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.57 0.748 . . . . 74.34 110.145 176.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.56 -55.11 7.42 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 115.001 -1.0 . . . . 65.35 110.819 -176.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -66.18 -33.96 76.94 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 115.525 -0.762 . . . . 73.53 112.215 -177.834 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.3 pp -66.31 -46.47 76.8 Favored 'General case' 0 N--CA 1.483 1.175 0 N-CA-C 109.482 -0.562 . . . . 75.03 109.482 176.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 27.5 t-80 -58.98 -41.48 87.67 Favored 'General case' 0 C--N 1.355 0.825 0 O-C-N 124.333 1.021 . . . . 72.15 108.994 -177.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -66.6 -42.12 87.4 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 114.671 -1.149 . . . . 75.1 111.544 -179.38 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.463 HG22 ' ND2' ' B' ' 124' ' ' ASN . 6.9 m -71.28 -31.96 68.11 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 122.824 0.45 . . . . 73.44 110.567 179.777 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.5 ' ND2' HG21 ' B' ' 123' ' ' THR . 1.1 m-80 -73.94 -39.49 63.73 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.153 0.581 . . . . 75.13 110.089 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.451 ' HA ' ' HE2' ' A' ' 25' ' ' MET . 26.5 mmt -62.23 -52.59 63.15 Favored 'General case' 0 C--N 1.35 0.607 0 C-N-CA 122.688 0.395 . . . . 73.24 110.779 177.386 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -70.46 -21.19 62.82 Favored 'General case' 0 C--O 1.214 -0.781 0 CA-C-O 119.256 -0.402 . . . . 73.24 111.658 -179.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.1 tt -64.23 -44.03 93.14 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 109.255 -0.646 . . . . 73.23 109.255 169.075 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 25.6 m -62.13 -47.02 86.42 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.259 0.624 . . . . 74.45 110.526 178.548 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.527 ' O ' ' HG2' ' A' ' 33' ' ' GLN . 16.6 m-20 -59.1 -52.85 63.97 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 115.4 -0.818 . . . . 75.31 110.106 176.558 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.451 HD11 HE22 ' A' ' 33' ' ' GLN . 1.7 mm? -58.62 -50.38 74.06 Favored 'General case' 0 C--N 1.355 0.823 0 O-C-N 124.096 0.873 . . . . 74.42 111.392 -175.035 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.401 ' HE2' ' HB2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -66.82 -33.93 76.69 Favored 'General case' 0 N--CA 1.48 1.067 0 O-C-N 123.585 0.553 . . . . 75.33 111.335 -175.456 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.4 tt -63.86 -58.47 6.71 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.743 0.817 . . . . 61.44 110.184 -179.538 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.527 ' HG2' ' O ' ' A' ' 29' ' ' ASP . 12.1 pt20 -66.21 -37.6 85.96 Favored 'General case' 0 C--O 1.251 1.169 0 CA-C-N 115.94 -0.573 . . . . 75.5 110.799 -178.238 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.5 tm? . . . . . 0 C--N 1.351 0.648 0 C-N-CA 124.462 1.105 . . . . 75.53 109.689 -177.979 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 102' ' ' PHE . . . . . . . . . . . . . 62.9 t80 . . . . . 0 C--O 1.243 0.757 0 N-CA-C 111.695 0.258 . . . . 70.01 111.695 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.49 -45.29 80.12 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-O 120.988 0.423 . . . . 73.43 109.95 179.327 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 104' ' ' LYS . . . . . 0.473 ' O ' ' HG2' ' B' ' 108' ' ' GLN . 0.0 OUTLIER -72.34 -33.99 67.71 Favored 'General case' 0 C--O 1.215 -0.724 0 CA-C-N 115.375 -0.83 . . . . 73.42 109.869 -176.587 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 105' ' ' LEU . . . . . 0.53 HD12 ' HA ' ' A' ' 6' ' ' TYR . 2.3 tp -53.54 -54.03 43.14 Favored 'General case' 0 C--O 1.252 1.231 0 C-N-CA 123.603 0.761 . . . . 72.41 109.653 175.761 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 106' ' ' TYR . . . . . 0.408 ' HD1' HD22 ' A' ' 5' ' ' LEU . 17.1 t80 -60.23 -40.21 89.37 Favored 'General case' 0 C--O 1.212 -0.871 0 O-C-N 124.335 1.022 . . . . 74.21 109.25 -177.843 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -63.76 -44.42 93.5 Favored 'General case' 0 C--O 1.219 -0.523 0 N-CA-C 112.321 0.489 . . . . 73.11 112.321 178.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 108' ' ' GLN . . . . . 0.473 ' HG2' ' O ' ' B' ' 104' ' ' LYS . 10.2 mm-40 -68.36 -66.2 0.6 Allowed 'General case' 0 N--CA 1.483 1.204 0 CA-C-N 117.957 0.344 . . . . 74.24 110.852 -173.63 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 16.8 mt -68.66 -37.79 78.07 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.157 0 CA-C-O 119.069 -0.491 . . . . 74.35 111.391 -172.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -71.48 -36.49 71.16 Favored 'General case' 0 N--CA 1.5 2.031 0 CA-C-N 118.481 0.582 . . . . 74.41 111.014 -178.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -61.62 -42.12 98.45 Favored 'General case' 0 N--CA 1.485 1.324 0 CA-C-N 118.241 0.473 . . . . 64.54 110.028 175.515 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 112' ' ' GLU . . . . . 0.508 ' O ' ' HG ' ' B' ' 116' ' ' LEU . 25.0 tp10 -67.47 -40.01 85.3 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 115.112 -0.949 . . . . 75.45 110.629 177.196 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -66.08 -36.53 83.44 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 124.691 1.196 . . . . 71.33 110.579 -176.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -65.41 -47.15 77.26 Favored 'General case' 0 C--O 1.24 0.578 0 CA-C-N 114.258 -1.337 . . . . 70.5 109.912 174.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 9.7 ttpt -57.78 -38.87 76.21 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 115.612 -0.722 . . . . 74.2 110.113 175.356 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 116' ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' B' ' 112' ' ' GLU . 98.3 mt -67.87 -33.46 74.79 Favored 'General case' 0 C--N 1.359 1.001 0 C-N-CA 123.582 0.753 . . . . 74.33 111.326 179.655 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -64.45 -43.61 93.72 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 123.461 0.704 . . . . 74.11 110.669 176.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -75.57 -41.32 55.02 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 114.816 -1.084 . . . . 72.2 111.166 -174.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 119' ' ' GLN . . . . . 0.4 ' HG3' ' HA ' ' B' ' 116' ' ' LEU . 5.4 pp0? -69.98 -37.94 75.88 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 116.535 -0.302 . . . . 75.04 110.784 -178.683 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.13 -44.34 80.09 Favored 'General case' 0 C--N 1.363 1.175 0 N-CA-C 109.406 -0.59 . . . . 72.23 109.406 -178.64 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 121' ' ' HIS . . . . . 0.461 ' O ' ' HG3' ' B' ' 125' ' ' MET . 55.8 t60 -61.26 -44.24 97.56 Favored 'General case' 0 C--N 1.356 0.874 0 O-C-N 124.17 0.919 . . . . 73.23 109.256 -179.758 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 122' ' ' ASP . . . . . 0.435 ' O ' ' HG3' ' B' ' 126' ' ' GLU . 19.9 t70 -61.66 -44.35 97.14 Favored 'General case' 0 N--CA 1.477 0.921 0 O-C-N 124.466 1.104 . . . . 70.14 111.161 178.054 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 123' ' ' THR . . . . . 0.5 HG21 ' ND2' ' A' ' 24' ' ' ASN . 70.4 m -64.3 -35.35 80.56 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.758 0.823 . . . . 60.21 110.528 179.313 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 124' ' ' ASN . . . . . 0.463 ' ND2' HG22 ' A' ' 23' ' ' THR . 0.9 OUTLIER -67.09 -38.75 86.23 Favored 'General case' 0 C--O 1.22 -0.462 0 CA-C-N 115.428 -0.805 . . . . 65.43 109.7 176.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 125' ' ' MET . . . . . 0.461 ' HG3' ' O ' ' B' ' 121' ' ' HIS . 32.5 mtm -62.37 -37.78 87.05 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.04 0.536 . . . . 74.55 111.771 174.123 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 126' ' ' GLU . . . . . 0.435 ' HG3' ' O ' ' B' ' 122' ' ' ASP . 22.8 mt-10 -68.56 -40.59 80.53 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-O 121.143 0.497 . . . . 72.14 109.937 177.385 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 127' ' ' LEU . . . . . 0.401 HD21 HG23 ' A' ' 23' ' ' THR . 42.4 tp -65.79 -35.94 82.12 Favored 'General case' 0 CA--C 1.551 0.982 0 CA-C-N 115.52 -0.763 . . . . 72.13 110.65 177.083 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 128' ' ' THR . . . . . 0.406 ' HA ' ' HB3' ' B' ' 131' ' ' LYS . 15.0 m -76.4 -24.36 54.07 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.562 0.745 . . . . 52.32 110.225 177.614 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 129' ' ' ASP . . . . . 0.437 ' O ' ' HG3' ' B' ' 133' ' ' GLN . 16.0 t70 -68.25 -48.55 64.77 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.648 0.779 . . . . 74.14 109.995 174.057 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 130' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' B' ' 126' ' ' GLU . 63.4 mt -64.54 -36.67 84.97 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.833 0.853 . . . . 74.15 110.761 178.29 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 131' ' ' LYS . . . . . 0.406 ' HB3' ' HA ' ' B' ' 128' ' ' THR . 24.0 tptp -58.47 -47.66 83.32 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.311 1.444 . . . . 75.11 110.582 172.203 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 50.1 tp -68.25 -38.71 82.08 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.313 0.645 . . . . 75.33 110.915 -179.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 133' ' ' GLN . . . . . 0.437 ' HG3' ' O ' ' B' ' 129' ' ' ASP . 42.7 mt-30 -71.05 -27.79 63.9 Favored 'General case' 0 C--O 1.218 -0.577 0 CA-C-N 116.312 -0.404 . . . . 74.21 110.807 179.532 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 11.5 tp . . . . . 0 N--CA 1.478 0.972 0 C-N-CA 123.151 0.58 . . . . 74.11 111.209 -175.433 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.149 0 CA-C-O 120.905 0.383 . . . . 73.25 110.022 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.439 ' O ' ' HG2' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -78.37 -30.56 48.02 Favored 'General case' 0 C--O 1.21 -1.008 0 N-CA-C 109.073 -0.714 . . . . 72.42 109.073 179.391 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 43.3 tp -53.22 -45.27 68.61 Favored 'General case' 0 N--CA 1.493 1.721 0 C-N-CA 123.139 0.576 . . . . 75.53 110.208 175.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.419 ' HA ' HD13 ' B' ' 105' ' ' LEU . 20.0 t80 -54.53 -52.13 63.0 Favored 'General case' 0 C--N 1.349 0.574 0 O-C-N 124.835 1.334 . . . . 74.4 109.797 175.016 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -62.49 -34.19 76.36 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 124.567 1.167 . . . . 73.25 113.393 -177.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.439 ' HG2' ' O ' ' A' ' 4' ' ' LYS . 12.9 mm-40 -67.24 -56.9 7.91 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 122.804 0.442 . . . . 70.41 110.657 -176.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.3 mt -60.41 -46.16 95.59 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.905 0 O-C-N 123.85 0.719 . . . . 74.05 110.769 177.198 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.04 -31.78 72.53 Favored 'General case' 0 N--CA 1.493 1.69 0 C-N-CA 124.497 1.119 . . . . 64.32 111.495 -173.801 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.11 -39.19 72.23 Favored 'General case' 0 N--CA 1.483 1.19 0 N-CA-C 109.756 -0.461 . . . . 71.25 109.756 176.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.431 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 30.6 tp10 -72.52 -29.63 63.77 Favored 'General case' 0 CA--C 1.547 0.865 0 CA-C-N 115.697 -0.683 . . . . 62.02 110.573 175.016 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -74.49 -40.56 61.74 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 124.475 1.11 . . . . 73.13 109.622 -178.08 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -62.23 -46.44 88.86 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.818 1.247 . . . . 65.25 109.458 171.642 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.3 ttpt -56.51 -46.03 80.75 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 124.284 0.99 . . . . 72.53 110.205 178.585 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.47 ' HB3' ' HB3' ' B' ' 116' ' ' LEU . 89.2 mt -66.96 -30.88 71.13 Favored 'General case' 0 N--CA 1.48 1.056 0 O-C-N 124.127 0.892 . . . . 74.32 111.596 -179.08 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.558 ' HA ' HD22 ' A' ' 20' ' ' LEU . 0.3 OUTLIER -69.96 -35.09 74.2 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 123.428 0.691 . . . . 74.41 109.618 174.398 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.64 -53.95 9.27 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.39 0.676 . . . . 73.5 110.313 -175.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -67.32 -27.84 67.49 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 123.701 0.801 . . . . 75.32 112.15 -178.43 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.558 HD22 ' HA ' ' A' ' 17' ' ' LYS . 0.4 OUTLIER -65.58 -44.71 85.82 Favored 'General case' 0 N--CA 1.481 1.107 0 N-CA-C 108.754 -0.832 . . . . 73.12 108.754 171.615 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -59.07 -38.41 79.37 Favored 'General case' 0 C--N 1.358 0.959 0 O-C-N 123.638 0.586 . . . . 71.52 110.446 -179.122 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -62.71 -54.82 33.52 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 123.764 0.665 . . . . 71.32 110.54 174.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.485 HG23 ' ND2' ' B' ' 124' ' ' ASN . 7.2 m -67.05 -28.52 68.28 Favored 'General case' 0 N--CA 1.482 1.131 0 O-C-N 123.643 0.59 . . . . 75.32 112.064 -175.096 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.492 ' ND2' HG21 ' B' ' 123' ' ' THR . 0.9 OUTLIER -75.18 -48.9 21.33 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.566 0.746 . . . . 54.22 110.212 -178.411 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.458 ' HE3' ' HA ' ' A' ' 25' ' ' MET . 9.8 mmt -62.9 -44.56 95.76 Favored 'General case' 0 C--N 1.351 0.648 0 CA-C-N 115.757 -0.656 . . . . 74.21 111.123 178.308 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.418 ' HG2' ' HA ' ' A' ' 23' ' ' THR . 11.8 pt-20 -75.8 -28.03 58.19 Favored 'General case' 0 C--O 1.205 -1.242 0 CA-C-O 118.605 -0.712 . . . . 74.14 110.814 -176.727 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 63.4 tp -61.06 -48.65 80.77 Favored 'General case' 0 C--N 1.359 1.0 0 CA-C-N 118.461 0.573 . . . . 74.41 110.181 170.371 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 24.1 m -64.17 -38.9 92.7 Favored 'General case' 0 CA--C 1.546 0.819 0 O-C-N 123.818 0.699 . . . . 75.11 110.499 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.409 ' O ' ' HG2' ' A' ' 33' ' ' GLN . 16.7 t70 -65.65 -45.74 81.86 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.581 1.152 . . . . 65.31 110.498 177.236 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.5 HD13 ' NE2' ' A' ' 33' ' ' GLN . 15.0 tp -71.21 -36.01 71.74 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.35 1.06 . . . . 73.22 109.984 -173.283 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.49 -28.94 37.39 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.599 0.76 . . . . 72.4 109.965 -177.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.2 tt -65.97 -52.71 47.2 Favored 'General case' 0 C--N 1.345 0.386 0 C-N-CA 123.622 0.769 . . . . 62.11 109.017 178.121 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.5 ' NE2' HD13 ' A' ' 30' ' ' LEU . 6.3 pt20 -69.34 -32.62 71.83 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-N 115.969 -0.559 . . . . 73.13 110.683 178.42 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 19.7 tp . . . . . 0 N--CA 1.49 1.561 0 O-C-N 123.981 0.801 . . . . 72.41 110.356 176.076 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 102' ' ' PHE . . . . . 0.476 ' O ' ' HG ' ' B' ' 105' ' ' LEU . 94.8 m-85 . . . . . 0 N--CA 1.476 0.827 0 CA-C-O 121.09 0.472 . . . . 72.52 112.239 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.84 -32.28 70.53 Favored 'General case' 0 N--CA 1.479 1.025 0 CA-C-O 121.45 0.643 . . . . 74.11 109.939 178.284 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 104' ' ' LYS . . . . . 0.446 ' O ' ' HG2' ' B' ' 108' ' ' GLN . 0.0 OUTLIER -76.98 -27.73 54.85 Favored 'General case' 0 C--O 1.209 -1.029 0 CA-C-N 114.949 -1.023 . . . . 74.42 109.652 -179.462 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 105' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' B' ' 102' ' ' PHE . 0.6 OUTLIER -61.29 -39.55 90.85 Favored 'General case' 0 C--N 1.378 1.838 0 N-CA-C 107.77 -1.196 . . . . 74.45 107.77 175.036 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 106' ' ' TYR . . . . . 0.427 ' O ' ' HB2' ' B' ' 110' ' ' LEU . 32.9 t80 -55.93 -52.6 63.57 Favored 'General case' 0 C--N 1.368 1.41 0 O-C-N 124.662 1.226 . . . . 74.34 108.887 174.208 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -59.53 -39.11 82.87 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.011 0.924 . . . . 75.54 113.038 -178.374 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 108' ' ' GLN . . . . . 0.446 ' HG2' ' O ' ' B' ' 104' ' ' LYS . 8.7 mm-40 -66.84 -61.59 1.88 Allowed 'General case' 0 N--CA 1.483 1.215 0 CA-C-O 120.815 0.341 . . . . 75.03 110.566 -176.025 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 11.7 mt -68.77 -34.49 65.0 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.901 0 CA-C-N 115.293 -0.867 . . . . 75.23 110.903 -173.532 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 110' ' ' LEU . . . . . 0.427 ' HB2' ' O ' ' B' ' 106' ' ' TYR . 0.6 OUTLIER -69.4 -36.57 76.87 Favored 'General case' 0 N--CA 1.492 1.638 0 C-N-CA 123.849 0.86 . . . . 75.4 110.377 179.443 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.72 -41.81 95.69 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 122.736 0.414 . . . . 71.22 110.429 174.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -67.9 -36.51 80.34 Favored 'General case' 0 CA--C 1.559 1.292 0 CA-C-N 115.559 -0.746 . . . . 75.33 110.274 175.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -70.94 -35.9 72.4 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 125.045 1.338 . . . . 74.41 109.892 -177.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -61.66 -50.57 71.98 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.623 1.169 . . . . 74.52 109.271 173.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 15.7 ttpt -57.43 -46.08 83.95 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 124.597 1.186 . . . . 75.13 110.143 179.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 116' ' ' LEU . . . . . 0.47 ' HB3' ' HB3' ' A' ' 16' ' ' LEU . 93.5 mt -67.85 -29.11 68.16 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 115.594 -0.73 . . . . 65.15 111.694 -178.807 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 117' ' ' LYS . . . . . 0.519 ' HA ' HD21 ' B' ' 120' ' ' LEU . 0.2 OUTLIER -71.51 -38.81 71.08 Favored 'General case' 0 CA--C 1.555 1.136 0 N-CA-C 108.716 -0.846 . . . . 74.44 108.716 176.106 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -73.04 -44.59 60.56 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.256 1.022 . . . . 71.03 111.575 -175.055 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -72.06 -36.09 69.48 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 115.664 -0.698 . . . . 73.15 111.029 -177.261 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 120' ' ' LEU . . . . . 0.519 HD21 ' HA ' ' B' ' 117' ' ' LYS . 0.5 OUTLIER -64.27 -41.96 96.67 Favored 'General case' 0 C--N 1.362 1.15 0 N-CA-C 109.483 -0.562 . . . . 65.22 109.483 175.705 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 9.8 t-80 -52.73 -48.38 66.74 Favored 'General case' 0 C--N 1.36 1.024 0 O-C-N 124.178 0.924 . . . . 73.55 109.991 176.116 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 122' ' ' ASP . . . . . 0.468 ' O ' ' HG2' ' B' ' 126' ' ' GLU . 76.4 m-20 -63.41 -48.78 76.38 Favored 'General case' 0 CA--C 1.537 0.447 0 O-C-N 124.309 1.006 . . . . 75.13 111.42 -179.631 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 123' ' ' THR . . . . . 0.492 HG21 ' ND2' ' A' ' 24' ' ' ASN . 10.2 m -67.54 -28.5 67.86 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.375 0.67 . . . . 74.21 111.528 -176.665 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 124' ' ' ASN . . . . . 0.485 ' ND2' HG23 ' A' ' 23' ' ' THR . 1.2 m-80 -74.78 -36.02 62.54 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.089 0.556 . . . . 73.14 109.773 176.061 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 125' ' ' MET . . . . . . . . . . . . . 92.4 mmm -68.22 -32.88 73.39 Favored 'General case' 0 C--N 1.358 0.96 0 C-N-CA 123.131 0.573 . . . . 74.44 111.325 172.167 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 126' ' ' GLU . . . . . 0.468 ' HG2' ' O ' ' B' ' 122' ' ' ASP . 23.3 mm-40 -64.06 -40.91 97.3 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 109.568 -0.53 . . . . 74.01 109.568 173.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 9.2 tt -73.3 -30.87 63.69 Favored 'General case' 0 CA--C 1.553 1.061 0 O-C-N 124.247 0.967 . . . . 71.32 110.625 179.275 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 128' ' ' THR . . . . . . . . . . . . . 87.0 m -67.23 -48.28 68.26 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-O 121.635 0.731 . . . . 72.15 109.822 175.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 129' ' ' ASP . . . . . 0.432 ' O ' ' HG3' ' B' ' 133' ' ' GLN . 25.1 t70 -61.74 -36.13 80.11 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 114.532 -1.213 . . . . 75.14 109.94 175.296 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 130' ' ' LEU . . . . . 0.459 HD12 ' HG ' ' A' ' 30' ' ' LEU . 0.3 OUTLIER -65.95 -51.94 54.14 Favored 'General case' 0 C--N 1.342 0.272 0 CA-C-N 115.509 -0.769 . . . . 74.14 110.517 -176.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.61 -25.47 65.77 Favored 'General case' 0 CA--C 1.551 0.99 0 O-C-N 123.485 0.491 . . . . 75.35 110.689 -176.468 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 57.1 tp -66.09 -52.74 45.98 Favored 'General case' 0 CA--C 1.559 1.31 0 CA-C-N 115.878 -0.601 . . . . 73.4 109.937 170.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 133' ' ' GLN . . . . . 0.432 ' HG3' ' O ' ' B' ' 129' ' ' ASP . 47.5 mt-30 -58.27 -32.83 68.76 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 123.304 0.642 . . . . 75.43 110.982 174.399 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 10.9 tp . . . . . 0 N--CA 1.47 0.535 0 C-N-CA 124.798 1.239 . . . . 65.44 109.812 -171.6 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 . . . . . 0 N--CA 1.479 0.992 0 CA-C-O 119.512 -0.28 . . . . 71.44 111.565 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.453 ' HD1' HD21 ' A' ' 5' ' ' LEU . 49.8 m-85 -55.33 -12.82 1.14 Allowed 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 115.983 1.846 . . . . 74.23 115.983 -172.561 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.428 ' HD3' ' H ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -67.28 -35.23 79.06 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 118.617 0.644 . . . . 71.32 109.948 178.724 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.468 ' O ' ' HG2' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -72.8 -35.44 67.36 Favored 'General case' 0 C--O 1.209 -1.078 0 CA-C-O 118.464 -0.779 . . . . 75.21 109.825 175.205 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.455 HD22 ' HB2' ' B' ' 106' ' ' TYR . 15.1 tp -50.06 -49.19 52.06 Favored 'General case' 0 N--CA 1.492 1.637 0 C-N-CA 123.464 0.706 . . . . 72.21 110.355 -178.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 27.4 t80 -57.04 -55.7 31.3 Favored 'General case' 0 C--N 1.35 0.615 0 CA-C-N 113.771 -1.559 . . . . 75.05 110.694 174.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.5 mm-40 -63.75 -30.63 71.7 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 113.389 0.885 . . . . 73.24 113.389 -173.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.468 ' HG2' ' O ' ' A' ' 4' ' ' LYS . 7.3 mm-40 -69.02 -59.22 3.19 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 109.74 -0.467 . . . . 74.43 109.74 -176.295 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.491 HD12 ' CD1' ' B' ' 106' ' ' TYR . 9.9 mt -62.58 -41.8 93.48 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.078 0 C-N-CA 120.685 -0.406 . . . . 63.31 111.57 176.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.81 -33.85 76.52 Favored 'General case' 0 N--CA 1.492 1.657 0 C-N-CA 123.576 0.75 . . . . 65.42 111.382 -175.553 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.22 -37.32 80.72 Favored 'General case' 0 N--CA 1.481 1.121 0 N-CA-C 109.915 -0.402 . . . . 72.33 109.915 176.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -70.56 -36.57 73.71 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-N 115.972 -0.558 . . . . 74.13 109.711 175.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -65.2 -36.01 82.85 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 125.625 1.57 . . . . 74.23 109.66 178.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -65.03 -51.49 61.31 Favored 'General case' 0 C--N 1.353 0.722 0 C-N-CA 125.37 1.468 . . . . 71.11 110.243 174.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.7 ttpt -55.85 -47.56 77.06 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 124.141 0.9 . . . . 74.24 109.495 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.403 ' HB3' ' HB3' ' B' ' 116' ' ' LEU . 84.5 mt -61.42 -35.78 78.51 Favored 'General case' 0 C--N 1.352 0.715 0 O-C-N 124.846 1.341 . . . . 73.42 111.804 178.482 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.427 ' HA ' HD21 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -66.0 -39.98 90.76 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 123.11 0.564 . . . . 70.01 110.491 178.192 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.29 -57.98 3.96 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 115.45 -0.795 . . . . 63.45 110.204 -175.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.12 -33.34 73.22 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.772 0.829 . . . . 63.44 112.503 -177.185 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.427 HD21 ' HA ' ' A' ' 17' ' ' LYS . 0.8 OUTLIER -65.85 -44.55 85.13 Favored 'General case' 0 C--N 1.36 1.023 0 N-CA-C 108.958 -0.756 . . . . 75.44 108.958 177.244 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.462 ' O ' ' HG3' ' A' ' 25' ' ' MET . 31.9 t60 -59.25 -43.39 92.44 Favored 'General case' 0 C--N 1.361 1.086 0 O-C-N 124.169 0.918 . . . . 72.34 109.794 -178.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -62.65 -40.92 98.57 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 124.133 0.896 . . . . 73.43 111.264 176.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.544 HG21 ' ND2' ' B' ' 124' ' ' ASN . 30.3 m -70.02 -28.72 65.71 Favored 'General case' 0 C--N 1.356 0.87 0 O-C-N 123.622 0.576 . . . . 65.14 110.904 178.57 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.459 ' ND2' HG21 ' B' ' 123' ' ' THR . 0.9 OUTLIER -70.14 -52.59 22.36 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.277 0.631 . . . . 73.11 109.902 177.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.462 ' HG3' ' O ' ' A' ' 21' ' ' HIS . 37.4 mtp -62.96 -39.52 94.91 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.437 0.695 . . . . 73.44 112.452 179.357 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.506 ' HG2' ' HA ' ' A' ' 23' ' ' THR . 13.5 pt-20 -78.25 -24.32 46.94 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-O 119.424 -0.322 . . . . 74.5 110.37 -179.536 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.433 ' O ' ' HB3' ' A' ' 31' ' ' LYS . 41.8 tp -70.94 -40.85 71.82 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 109.451 -0.574 . . . . 74.21 109.451 171.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 71.2 m -67.31 -33.52 75.46 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 123.436 0.694 . . . . 73.23 110.151 177.268 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -62.57 -60.8 3.01 Favored 'General case' 0 C--N 1.357 0.93 0 N-CA-C 109.03 -0.73 . . . . 75.14 109.03 171.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.497 ' HA ' HE22 ' A' ' 33' ' ' GLN . 2.7 mm? -52.58 -44.0 65.63 Favored 'General case' 0 C--N 1.363 1.165 0 O-C-N 124.984 1.428 . . . . 74.41 111.421 -176.247 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.433 ' HB3' ' O ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -63.49 -51.37 65.88 Favored 'General case' 0 C--O 1.25 1.087 0 C-N-CA 125.185 1.394 . . . . 74.5 110.164 -178.512 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 66.8 tp -56.34 -64.46 0.86 Allowed 'General case' 0 C--N 1.351 0.642 0 O-C-N 124.717 1.26 . . . . 70.4 110.258 -176.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.497 HE22 ' HA ' ' A' ' 30' ' ' LEU . 1.3 pt20 -60.45 -39.35 87.22 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.799 0.84 . . . . 73.2 112.455 -177.774 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.494 HD23 HD23 ' B' ' 134' ' ' LEU . 1.3 tm? -52.69 -61.1 2.5 Favored 'General case' 0 N--CA 1.485 1.289 0 CA-C-O 118.713 -0.66 . . . . 74.43 110.362 -175.322 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -69.3 -26.06 64.55 Favored 'General case' 0 C--N 1.354 0.773 0 O-C-N 126.367 2.292 . . . . 74.11 111.767 -176.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.513 ' HB3' ' HZ1' ' A' ' 36' ' ' LYS . 9.8 mtpm? -65.17 -13.74 58.9 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 123.199 0.599 . . . . 75.23 110.773 168.34 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 82.39 61.1 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 126.117 1.767 . . . . 74.52 108.175 174.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.435 HG21 ' HA ' ' A' ' 34' ' ' LEU . 9.6 t -70.81 174.67 5.76 Favored 'General case' 0 N--CA 1.495 1.809 0 CA-C-N 113.049 -1.887 . . . . 75.13 113.24 -174.48 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -118.18 -50.26 2.47 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 124.153 0.981 . . . . 64.04 110.14 171.241 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -143.3 154.06 43.4 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.965 0.906 . . . . 70.02 110.408 -172.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.483 HE21 HD12 ' B' ' 134' ' ' LEU . 0.0 OUTLIER -136.92 166.77 22.85 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 124.211 1.005 . . . . 61.21 109.892 173.924 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -106.87 -32.63 7.84 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.632 0.773 . . . . 75.54 110.447 178.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 72.1 mtp180 59.4 -79.6 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 125.314 1.446 . . . . 73.34 112.026 -178.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 89.8 t80 . . . . . 0 N--CA 1.473 0.676 0 C-N-CA 124.807 1.243 . . . . 74.32 109.089 176.761 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 . . . . . 0 CA--C 1.539 0.543 0 CA-C-O 121.059 0.457 . . . . 71.33 110.578 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 102' ' ' PHE . . . . . 0.443 ' O ' ' HG ' ' B' ' 105' ' ' LEU . 91.6 m-85 -106.02 -17.85 14.21 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 124.233 1.013 . . . . 74.2 110.344 177.237 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 103' ' ' LYS . . . . . 0.487 ' HD3' ' N ' ' B' ' 104' ' ' LYS . 0.0 OUTLIER -57.73 -31.83 66.84 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 123.297 0.639 . . . . 74.32 110.011 178.075 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 104' ' ' LYS . . . . . 0.487 ' N ' ' HD3' ' B' ' 103' ' ' LYS . 0.0 OUTLIER -75.09 -36.88 61.68 Favored 'General case' 0 C--O 1.214 -0.815 0 CA-C-N 114.127 -1.397 . . . . 73.31 110.141 -177.891 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' B' ' 102' ' ' PHE . 0.7 OUTLIER -61.47 -40.98 96.49 Favored 'General case' 0 C--N 1.375 1.674 0 N-CA-C 108.266 -1.012 . . . . 75.55 108.266 -179.879 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 106' ' ' TYR . . . . . 0.491 ' CD1' HD12 ' A' ' 9' ' ' ILE . 40.6 t80 -56.46 -50.98 70.14 Favored 'General case' 0 C--N 1.37 1.461 0 CA-C-N 114.769 -1.105 . . . . 73.51 109.355 174.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -63.24 -40.06 96.38 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.119 0.968 . . . . 73.03 112.97 -177.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 108' ' ' GLN . . . . . 0.481 ' HG2' ' O ' ' B' ' 104' ' ' LYS . 11.2 mm-40 -68.53 -56.82 7.04 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 122.661 0.384 . . . . 73.11 110.545 -174.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 17.5 mt -67.17 -38.25 80.75 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.848 0 CA-C-N 115.647 -0.706 . . . . 74.33 110.86 -175.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -69.19 -38.09 78.47 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 123.488 0.715 . . . . 73.34 110.513 -179.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -61.42 -43.73 98.37 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 122.664 0.386 . . . . 72.12 110.318 175.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 112' ' ' GLU . . . . . 0.426 ' O ' ' HG ' ' B' ' 116' ' ' LEU . 42.7 tp10 -66.6 -40.09 88.69 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 114.9 -1.046 . . . . 71.51 110.746 175.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -65.55 -41.32 93.15 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 125.096 1.358 . . . . 73.14 110.711 -176.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -59.9 -50.27 74.45 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.456 1.102 . . . . 73.12 109.927 172.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 23.6 ttpt -58.14 -38.74 77.14 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 114.945 -1.025 . . . . 63.02 110.613 178.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 116' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' B' ' 112' ' ' GLU . 89.6 mt -69.05 -31.07 69.58 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.539 0.736 . . . . 73.02 111.241 -178.461 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . 0.494 ' HA ' HD23 ' B' ' 120' ' ' LEU . 0.3 OUTLIER -68.28 -39.48 82.1 Favored 'General case' 0 CA--C 1.557 1.248 0 C-N-CA 123.736 0.814 . . . . 74.42 109.123 175.183 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -75.41 -44.12 46.33 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.593 0.757 . . . . 74.43 111.497 -176.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 119' ' ' GLN . . . . . 0.42 ' HG3' ' HA ' ' B' ' 116' ' ' LEU . 5.2 pp0? -70.63 -36.06 73.25 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.353 0.661 . . . . 74.22 110.564 -176.171 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 120' ' ' LEU . . . . . 0.494 HD23 ' HA ' ' B' ' 117' ' ' LYS . 0.7 OUTLIER -63.5 -45.88 88.63 Favored 'General case' 0 C--N 1.36 1.063 0 N-CA-C 108.238 -1.023 . . . . 75.41 108.238 176.289 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 121' ' ' HIS . . . . . 0.493 ' O ' ' HG2' ' B' ' 125' ' ' MET . 23.9 t-80 -59.9 -38.72 83.08 Favored 'General case' 0 C--N 1.362 1.11 0 O-C-N 124.248 0.967 . . . . 73.32 110.447 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 122' ' ' ASP . . . . . 0.433 ' O ' ' HG3' ' B' ' 126' ' ' GLU . 38.6 t70 -64.83 -45.53 85.77 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.043 0.937 . . . . 73.14 110.383 179.624 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 123' ' ' THR . . . . . 0.459 HG21 ' ND2' ' A' ' 24' ' ' ASN . 18.4 m -69.18 -28.36 66.34 Favored 'General case' 0 CA--C 1.557 1.214 0 C-N-CA 124.237 1.015 . . . . 73.11 110.758 177.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 124' ' ' ASN . . . . . 0.544 ' ND2' HG21 ' A' ' 23' ' ' THR . 0.9 OUTLIER -72.04 -39.16 69.29 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.711 0.804 . . . . 75.44 110.506 175.678 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 125' ' ' MET . . . . . 0.493 ' HG2' ' O ' ' B' ' 121' ' ' HIS . 90.1 mmm -63.42 -38.67 92.03 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.104 0.562 . . . . 74.23 111.044 178.127 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 126' ' ' GLU . . . . . 0.433 ' HG3' ' O ' ' B' ' 122' ' ' ASP . 24.2 mt-10 -63.66 -46.95 83.28 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 109.314 -0.625 . . . . 74.41 109.314 173.769 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 127' ' ' LEU . . . . . 0.425 HD21 HG22 ' A' ' 23' ' ' THR . 44.4 tp -61.31 -31.28 71.13 Favored 'General case' 0 CA--C 1.557 1.219 0 C-N-CA 123.96 0.904 . . . . 75.21 111.576 179.122 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 128' ' ' THR . . . . . 0.511 ' HA ' ' HG3' ' B' ' 131' ' ' LYS . 62.5 m -78.85 -33.75 45.62 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 123.728 0.811 . . . . 73.53 110.221 179.111 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 129' ' ' ASP . . . . . 0.434 ' O ' ' HG3' ' B' ' 133' ' ' GLN . 19.3 t70 -63.52 -39.61 94.87 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.335 0.654 . . . . 72.44 109.267 171.27 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -73.54 -34.77 65.37 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.809 0.843 . . . . 75.45 112.648 -176.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 131' ' ' LYS . . . . . 0.511 ' HG3' ' HA ' ' B' ' 128' ' ' THR . 0.1 OUTLIER -74.34 -28.34 61.09 Favored 'General case' 0 N--CA 1.49 1.535 0 CA-C-N 118.432 0.56 . . . . 72.54 110.366 175.951 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 51.3 tp -68.77 -51.4 41.58 Favored 'General case' 0 C--N 1.352 0.691 0 O-C-N 123.837 0.711 . . . . 73.41 110.16 175.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 133' ' ' GLN . . . . . 0.434 ' HG3' ' O ' ' B' ' 129' ' ' ASP . 41.4 mt-30 -58.92 -32.13 69.28 Favored 'General case' 0 C--N 1.354 0.802 0 C-N-CA 122.933 0.493 . . . . 75.01 110.58 175.72 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 134' ' ' LEU . . . . . 0.494 HD23 HD23 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -59.51 -60.35 3.98 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.238 1.015 . . . . 62.32 109.873 -178.926 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 135' ' ' GLU . . . . . 0.443 ' HB3' ' HD3' ' B' ' 140' ' ' ARG . 10.9 pt-20 -67.45 -14.24 62.75 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-N 115.057 -0.974 . . . . 64.52 111.989 -178.166 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 60.9 mtpt -86.47 -36.62 18.94 Favored 'General case' 0 CA--C 1.555 1.151 0 N-CA-C 112.068 0.395 . . . . 73.33 112.068 170.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -72.52 -29.72 63.85 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 123.8 0.84 . . . . 74.43 110.636 -178.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 138' ' ' THR . . . . . 0.417 HG22 ' H ' ' B' ' 140' ' ' ARG . 15.4 t -152.33 -171.56 3.97 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 115.006 -0.997 . . . . 74.55 109.178 -172.78 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -74.45 -30.74 61.99 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.435 0.694 . . . . 74.33 110.433 176.489 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 140' ' ' ARG . . . . . 0.443 ' HD3' ' HB3' ' B' ' 135' ' ' GLU . 37.0 ttp180 68.97 162.83 0.22 Allowed 'General case' 0 N--CA 1.492 1.639 0 C-N-CA 125.161 1.385 . . . . 73.22 110.665 -176.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -70.96 136.18 48.31 Favored 'General case' 0 CA--C 1.554 1.113 0 N-CA-C 108.509 -0.923 . . . . 64.41 108.509 170.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -108.06 62.78 0.61 Allowed 'General case' 0 N--CA 1.483 1.216 0 CA-C-O 122.01 0.91 . . . . 71.33 110.406 -173.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 70.0 mtm180 -74.57 -35.42 63.04 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 114.842 -1.072 . . . . 75.15 110.19 174.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 144' ' ' PHE . . . . . . . . . . . . . 75.9 t80 . . . . . 0 C--O 1.25 1.085 0 C-N-CA 124.459 1.103 . . . . 74.53 108.364 170.808 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 . . . . . 0 N--CA 1.473 0.695 0 CA-C-O 120.406 0.146 . . . . 63.33 110.799 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.416 ' HD1' HD22 ' A' ' 5' ' ' LEU . 40.4 m-85 -72.77 -1.39 16.36 Favored 'General case' 0 N--CA 1.483 1.194 0 N-CA-C 113.703 1.001 . . . . 74.13 113.703 -175.29 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.561 ' HD3' ' H ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -65.02 -35.38 81.01 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.045 0.538 . . . . 75.24 110.247 176.846 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.561 ' H ' ' HD3' ' A' ' 3' ' ' LYS . 1.5 ptmt -81.81 -25.23 35.37 Favored 'General case' 0 C--O 1.213 -0.828 0 CA-C-N 115.31 -0.859 . . . . 70.21 110.802 -179.221 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.416 HD22 ' HD1' ' A' ' 2' ' ' PHE . 14.8 tp -56.33 -47.54 78.56 Favored 'General case' 0 C--O 1.258 1.54 0 CA-C-O 121.882 0.849 . . . . 74.11 109.161 175.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 22.4 t80 -54.24 -57.07 12.57 Favored 'General case' 0 C--N 1.351 0.661 0 CA-C-N 113.023 -1.899 . . . . 75.31 110.148 173.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -65.52 -32.06 73.46 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 113.948 1.092 . . . . 74.43 113.948 -170.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.411 ' HG2' ' O ' ' A' ' 4' ' ' LYS . 4.8 mm-40 -67.11 -52.11 45.91 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 122.668 0.387 . . . . 74.11 111.604 -178.705 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.464 HD11 ' CD1' ' B' ' 106' ' ' TYR . 17.7 mt -65.84 -40.54 87.89 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.925 0 C-N-CA 120.576 -0.45 . . . . 71.43 110.283 173.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.86 -25.68 67.31 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 123.769 0.828 . . . . 74.21 111.077 -177.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.69 -51.14 45.0 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.211 0.604 . . . . 71.01 109.811 175.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.446 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 34.4 tp10 -62.26 -34.4 76.48 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 115.393 -0.821 . . . . 75.31 110.077 174.571 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -66.62 -44.89 80.82 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 124.951 1.3 . . . . 64.35 110.787 -177.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -61.5 -49.08 78.18 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.785 0.834 . . . . 73.43 109.741 175.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 25.2 ttpt -55.85 -45.5 78.45 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 114.825 -1.08 . . . . 75.1 110.519 179.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 12' ' ' GLU . 87.4 mt -70.71 -29.38 65.64 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 115.359 -0.837 . . . . 74.42 111.074 -177.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.32 -37.14 82.83 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 123.713 0.633 . . . . 74.43 110.0 175.616 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.28 -52.99 9.54 Favored 'General case' 0 C--N 1.349 0.558 0 CA-C-N 114.981 -1.009 . . . . 65.43 110.987 -174.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.5 pp0? -67.19 -30.74 70.77 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-O 118.548 -0.739 . . . . 60.53 111.681 -178.15 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.38 -45.92 71.44 Favored 'General case' 0 N--CA 1.485 1.323 0 N-CA-C 109.214 -0.661 . . . . 74.44 109.214 174.792 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 65.1 t60 -56.06 -46.31 78.98 Favored 'General case' 0 N--CA 1.476 0.842 0 O-C-N 124.139 0.9 . . . . 65.51 109.492 178.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -64.48 -47.3 79.47 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 114.055 -1.43 . . . . 72.3 110.841 -179.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.582 HG21 HG21 ' B' ' 123' ' ' THR . 47.1 m -71.05 -26.5 63.11 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 122.713 0.405 . . . . 74.25 111.214 -177.76 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.475 ' ND2' HG22 ' B' ' 123' ' ' THR . 1.3 m-80 -72.69 -41.2 65.58 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 122.641 0.376 . . . . 70.43 110.098 176.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.479 ' HA ' ' HE1' ' A' ' 25' ' ' MET . 12.3 mmt -68.86 -39.45 79.87 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 122.874 0.47 . . . . 75.44 111.364 -179.427 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.54 ' HG2' ' HA ' ' A' ' 23' ' ' THR . 16.5 pt-20 -79.61 -21.41 44.96 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-O 119.449 -0.31 . . . . 65.23 110.656 179.429 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.7 tt -65.51 -54.4 28.74 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.617 0.767 . . . . 64.11 109.023 169.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 18.4 m -58.59 -37.97 76.93 Favored 'General case' 0 C--O 1.248 1.014 0 C-N-CA 123.869 0.868 . . . . 73.34 110.483 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.464 ' O ' ' HG2' ' A' ' 33' ' ' GLN . 15.8 t70 -63.7 -54.1 40.85 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 114.847 -1.069 . . . . 62.34 109.846 175.396 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.518 HD21 HD13 ' B' ' 127' ' ' LEU . 1.6 mp -60.47 -35.91 77.01 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 123.984 0.802 . . . . 64.43 112.081 -172.272 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.42 ' HE2' ' HB2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -78.93 -33.55 45.32 Favored 'General case' 0 N--CA 1.479 1.014 0 O-C-N 123.499 0.5 . . . . 73.32 111.266 -179.682 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 56.6 tp -62.47 -57.13 12.32 Favored 'General case' 0 C--N 1.353 0.728 0 C-N-CA 123.014 0.526 . . . . 72.51 109.609 177.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.464 ' HG2' ' O ' ' A' ' 29' ' ' ASP . 8.1 pt20 -63.84 -34.04 77.04 Favored 'General case' 0 CA--C 1.551 1.005 0 CA-C-N 115.619 -0.718 . . . . 74.21 110.893 179.141 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.492 HD11 HD23 ' B' ' 134' ' ' LEU . 24.3 tp -47.31 -60.57 2.41 Favored 'General case' 0 C--N 1.365 1.271 0 C-N-CA 124.226 1.011 . . . . 73.43 110.669 177.631 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -70.87 -24.79 62.57 Favored 'General case' 0 C--N 1.359 1.011 0 O-C-N 126.125 2.141 . . . . 74.53 111.943 -177.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.414 ' HD3' ' HA ' ' A' ' 33' ' ' GLN . 29.3 mtpp -68.56 -9.27 48.38 Favored 'General case' 0 N--CA 1.497 1.917 0 C-N-CA 122.696 0.398 . . . . 73.24 110.733 167.635 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 81.97 57.58 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 126.416 1.886 . . . . 75.14 108.595 171.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 5.5 t -84.8 173.7 10.45 Favored 'General case' 0 N--CA 1.484 1.251 0 CA-C-N 113.981 -1.463 . . . . 71.13 112.914 -170.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.426 ' HG3' ' H ' ' A' ' 40' ' ' ARG . 0.7 OUTLIER -121.52 -62.2 1.44 Allowed 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 113.383 -1.735 . . . . 74.25 108.68 174.037 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.426 ' H ' ' HG3' ' A' ' 39' ' ' GLN . 24.5 ttp180 -101.86 158.59 16.02 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.818 0.847 . . . . 73.51 110.308 -173.638 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.401 ' HB3' HE21 ' A' ' 33' ' ' GLN . 5.0 pm0 -103.42 -99.29 0.3 Allowed 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 123.284 0.634 . . . . 75.33 109.887 169.509 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -174.47 -47.36 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 123.206 0.602 . . . . 75.21 110.206 -172.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.6 -39.53 73.72 Favored 'General case' 0 N--CA 1.491 1.62 0 C-N-CA 124.015 0.926 . . . . 75.54 112.091 -171.684 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 50.3 t80 . . . . . 0 N--CA 1.474 0.739 0 CA-C-N 115.002 -0.999 . . . . 72.43 109.138 170.752 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 . . . . . 0 N--CA 1.471 0.583 0 CA-C-O 121.138 0.494 . . . . 61.32 111.559 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 102' ' ' PHE . . . . . 0.528 ' HD2' HD21 ' B' ' 105' ' ' LEU . 94.0 m-85 -95.16 -10.53 30.27 Favored 'General case' 0 C--O 1.247 0.94 0 C-N-CA 123.792 0.837 . . . . 71.43 111.817 177.459 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.13 -38.28 73.23 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-O 121.32 0.581 . . . . 73.43 109.948 175.649 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 104' ' ' LYS . . . . . 0.447 ' O ' ' HG2' ' B' ' 108' ' ' GLN . 0.0 OUTLIER -68.43 -41.44 80.34 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-N 114.831 -1.077 . . . . 75.4 110.463 -179.625 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . 0.528 HD21 ' HD2' ' B' ' 102' ' ' PHE . 0.5 OUTLIER -58.69 -44.03 90.14 Favored 'General case' 0 C--N 1.366 1.323 0 N-CA-C 108.991 -0.744 . . . . 75.43 108.991 -176.192 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 106' ' ' TYR . . . . . 0.464 ' CD1' HD11 ' A' ' 9' ' ' ILE . 37.0 t80 -57.62 -51.85 67.82 Favored 'General case' 0 C--N 1.361 1.071 0 O-C-N 124.614 1.196 . . . . 75.43 110.023 178.069 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -65.18 -38.08 89.37 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 113.186 0.81 . . . . 75.14 113.186 -176.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 108' ' ' GLN . . . . . 0.447 ' HG2' ' O ' ' B' ' 104' ' ' LYS . 9.1 mm-40 -66.98 -54.98 16.54 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 122.651 0.38 . . . . 60.34 110.758 -175.608 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 18.0 mt -65.69 -38.34 82.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 CA-C-N 116.446 -0.343 . . . . 72.52 110.443 -179.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.73 -31.46 70.54 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.208 0.603 . . . . 75.25 110.51 179.699 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.88 -46.84 80.09 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 122.678 0.391 . . . . 75.31 110.13 175.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 112' ' ' GLU . . . . . 0.479 ' O ' ' HG ' ' B' ' 116' ' ' LEU . 42.4 tp10 -62.52 -44.9 95.22 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.113 0.565 . . . . 72.52 109.852 174.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -66.0 -37.14 85.16 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 124.74 1.216 . . . . 75.23 110.895 -175.042 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -60.73 -48.9 79.71 Favored 'General case' 0 C--O 1.251 1.155 0 C-N-CA 125.019 1.328 . . . . 72.41 109.547 174.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 30.1 ttpt -58.25 -44.17 88.2 Favored 'General case' 0 C--N 1.347 0.457 0 CA-C-N 114.592 -1.185 . . . . 74.23 109.704 175.153 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 116' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' B' ' 112' ' ' GLU . 92.6 mt -61.97 -32.01 72.41 Favored 'General case' 0 C--N 1.355 0.826 0 O-C-N 124.039 0.837 . . . . 75.32 111.44 -175.158 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . 0.575 ' HA ' HD21 ' B' ' 120' ' ' LEU . 54.9 mtmt -75.56 -38.79 58.98 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 116.183 -0.462 . . . . 73.15 110.706 177.676 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -72.25 -40.48 67.66 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 122.907 0.483 . . . . 60.34 111.489 -178.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -75.87 -36.93 59.36 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.486 0.714 . . . . 72.52 110.341 -176.468 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 120' ' ' LEU . . . . . 0.575 HD21 ' HA ' ' B' ' 117' ' ' LYS . 0.4 OUTLIER -65.88 -43.23 88.91 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 109.055 -0.72 . . . . 74.25 109.055 176.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 51.0 t-80 -60.98 -40.19 92.49 Favored 'General case' 0 C--N 1.349 0.584 0 O-C-N 124.161 0.913 . . . . 73.35 109.797 -177.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 122' ' ' ASP . . . . . 0.458 ' O ' ' HG3' ' B' ' 126' ' ' GLU . 11.5 t70 -64.06 -48.56 75.78 Favored 'General case' 0 CA--C 1.551 0.982 0 O-C-N 124.324 1.015 . . . . 72.23 109.901 176.402 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 123' ' ' THR . . . . . 0.582 HG21 HG21 ' A' ' 23' ' ' THR . 55.4 m -63.31 -33.47 75.59 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 124.467 1.107 . . . . 70.31 111.417 -179.324 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 124' ' ' ASN . . . . . 0.562 ' ND2' HG22 ' A' ' 23' ' ' THR . 1.0 OUTLIER -78.4 -32.46 48.77 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.555 0.742 . . . . 75.11 109.748 -177.669 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 125' ' ' MET . . . . . . . . . . . . . 84.0 mmm -65.4 -38.0 88.66 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.22 0.608 . . . . 75.32 111.283 171.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 126' ' ' GLU . . . . . 0.458 ' HG3' ' O ' ' B' ' 122' ' ' ASP . 29.9 mt-10 -63.81 -47.52 80.5 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 109.347 -0.612 . . . . 73.04 109.347 174.8 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 127' ' ' LEU . . . . . 0.518 HD13 HD21 ' A' ' 30' ' ' LEU . 44.4 tp -58.67 -43.78 90.01 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 124.337 1.055 . . . . 74.33 111.659 178.517 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 128' ' ' THR . . . . . . . . . . . . . 89.3 m -64.62 -38.88 92.51 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.698 0.799 . . . . 72.43 110.299 178.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 129' ' ' ASP . . . . . 0.459 ' O ' ' HG3' ' B' ' 133' ' ' GLN . 35.6 t70 -67.85 -36.77 80.91 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 114.828 -1.078 . . . . 71.2 110.375 177.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 130' ' ' LEU . . . . . 0.438 ' HG ' ' O ' ' B' ' 126' ' ' GLU . 80.7 mt -68.66 -47.57 66.2 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.559 0.744 . . . . 73.24 110.942 -177.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 131' ' ' LYS . . . . . 0.549 ' HA ' ' HG ' ' B' ' 134' ' ' LEU . 0.1 OUTLIER -61.28 -40.39 93.97 Favored 'General case' 0 N--CA 1.483 1.189 0 N-CA-C 108.419 -0.956 . . . . 74.4 108.419 178.689 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 1.3 tt -59.84 -38.98 83.59 Favored 'General case' 0 C--O 1.246 0.875 0 C-N-CA 125.291 1.436 . . . . 74.22 111.213 176.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 133' ' ' GLN . . . . . 0.459 ' HG3' ' O ' ' B' ' 129' ' ' ASP . 45.9 mt-30 -72.96 -26.39 61.35 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 115.887 -0.597 . . . . 73.1 111.179 176.722 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 134' ' ' LEU . . . . . 0.549 ' HG ' ' HA ' ' B' ' 131' ' ' LYS . 15.0 mt -67.86 -35.12 77.99 Favored 'General case' 0 N--CA 1.5 2.058 0 N-CA-C 109.51 -0.552 . . . . 75.54 109.51 175.64 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 135' ' ' GLU . . . . . 0.506 ' HG3' ' O ' ' B' ' 131' ' ' LYS . 14.8 mt-10 -66.98 -38.27 85.75 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-N 114.444 -1.253 . . . . 62.44 109.566 177.614 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 59.1 mttm -70.03 -36.67 75.23 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 114.516 -1.22 . . . . 71.54 112.069 173.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -65.2 -52.41 54.98 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 123.739 0.816 . . . . 71.42 110.95 -172.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 138' ' ' THR . . . . . . . . . . . . . 70.5 p -124.91 -69.09 0.81 Allowed 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 115.613 -0.721 . . . . 72.14 109.092 176.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -178.85 -27.28 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 125.665 1.586 . . . . 71.35 109.798 -177.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 140' ' ' ARG . . . . . 0.542 ' HG2' ' H ' ' B' ' 142' ' ' GLU . 41.2 ttt-85 66.44 159.48 0.13 Allowed 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 125.07 1.348 . . . . 75.32 111.814 -178.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 27.1 pt20 -55.18 -34.53 63.93 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.907 0.883 . . . . 74.35 111.738 171.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 142' ' ' GLU . . . . . 0.542 ' H ' ' HG2' ' B' ' 140' ' ' ARG . 12.3 pt-20 46.68 27.23 0.63 Allowed 'General case' 0 N--CA 1.495 1.802 0 C-N-CA 126.252 1.821 . . . . 74.45 113.885 176.33 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 55.3 mtp180 -73.04 -61.51 1.79 Allowed 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 108.429 -0.952 . . . . 74.55 108.429 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 144' ' ' PHE . . . . . . . . . . . . . 65.7 t80 . . . . . 0 C--O 1.246 0.876 0 N-CA-C 106.384 -1.71 . . . . 75.21 106.384 165.311 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.446 ' O ' ' HG3' ' A' ' 4' ' ' LYS . 2.9 m-20 . . . . . 0 N--CA 1.484 1.244 0 N-CA-C 112.016 0.376 . . . . 62.43 112.016 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.422 ' HD1' HD22 ' A' ' 5' ' ' LEU . 54.4 m-85 -80.45 -18.89 47.41 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 113.601 0.963 . . . . 72.24 113.601 -172.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.56 -42.37 87.18 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 109.5 -0.556 . . . . 74.24 109.5 174.508 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.446 ' HG3' ' O ' ' A' ' 1' ' ' ASP . 0.0 OUTLIER -82.22 -25.78 33.87 Favored 'General case' 0 C--O 1.212 -0.875 0 CA-C-N 115.599 -0.728 . . . . 72.11 110.369 -179.331 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.422 HD22 ' HD1' ' A' ' 2' ' ' PHE . 16.5 tp -52.21 -46.26 65.57 Favored 'General case' 0 N--CA 1.493 1.697 0 CA-C-O 121.386 0.612 . . . . 71.41 110.573 174.026 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -56.95 -53.87 53.07 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-N 113.9 -1.5 . . . . 72.41 109.622 173.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -57.24 -31.78 65.88 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 124.703 1.201 . . . . 72.21 113.066 -178.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.44 ' HG2' ' O ' ' A' ' 4' ' ' LYS . 12.0 mm-40 -65.6 -69.99 0.26 Allowed 'General case' 0 N--CA 1.481 1.121 0 O-C-N 123.353 0.408 . . . . 74.32 111.153 -179.166 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.41 HD13 ' CE2' ' B' ' 106' ' ' TYR . 22.6 mt -59.81 -36.62 67.29 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 O-C-N 123.517 0.511 . . . . 75.12 110.863 -178.311 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.5 -31.79 72.17 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.485 0.714 . . . . 75.22 110.8 -179.184 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.99 -47.43 86.47 Favored 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 109.842 -0.429 . . . . 73.12 109.842 176.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.439 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 30.2 tp10 -74.5 -32.05 62.38 Favored 'General case' 0 C--O 1.215 -0.725 0 CA-C-N 115.593 -0.73 . . . . 65.34 110.795 178.803 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -66.49 -49.86 65.18 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.985 0.914 . . . . 75.53 110.357 -177.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -54.01 -48.07 70.84 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.758 1.223 . . . . 63.43 110.449 171.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.8 ttpt -60.84 -42.01 96.94 Favored 'General case' 0 C--N 1.348 0.536 0 O-C-N 124.238 0.961 . . . . 73.21 110.911 -179.005 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 12' ' ' GLU . 79.2 mt -68.11 -29.15 68.0 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.446 0.699 . . . . 65.4 110.893 -178.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.426 ' HE3' ' HB3' ' A' ' 17' ' ' LYS . 0.7 OUTLIER -74.79 -31.65 61.79 Favored 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 123.523 0.729 . . . . 75.24 110.42 173.665 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.63 -44.82 48.65 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.392 0.677 . . . . 72.35 110.701 -178.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -77.05 -28.6 54.84 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.572 0.749 . . . . 71.5 111.755 -178.51 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.61 -40.73 92.97 Favored 'General case' 0 C--N 1.364 1.219 0 N-CA-C 108.291 -1.003 . . . . 75.24 108.291 172.295 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 29.5 t60 -54.21 -49.37 69.57 Favored 'General case' 0 C--N 1.357 0.932 0 O-C-N 124.124 0.89 . . . . 73.31 109.945 176.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -53.3 -56.19 18.57 Favored 'General case' 0 N--CA 1.479 0.976 0 O-C-N 123.849 0.718 . . . . 71.42 111.182 177.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.594 HG23 HG23 ' B' ' 123' ' ' THR . 41.7 m -70.5 -27.61 64.33 Favored 'General case' 0 CA--C 1.548 0.869 0 O-C-N 124.012 0.82 . . . . 75.05 112.3 -173.552 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.509 ' ND2' HG21 ' B' ' 123' ' ' THR . 1.0 OUTLIER -70.3 -46.26 64.64 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 123.057 0.543 . . . . 71.04 109.771 177.834 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 32.8 mmt -66.17 -52.46 48.0 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 115.381 -0.827 . . . . 73.23 110.897 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.514 ' HG2' ' HA ' ' A' ' 23' ' ' THR . 13.3 pt-20 -69.35 -18.72 63.83 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 122.674 0.39 . . . . 73.3 111.443 -177.734 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.435 ' HB2' ' O ' ' A' ' 23' ' ' THR . 7.7 tt -67.13 -48.17 68.9 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 108.893 -0.78 . . . . 55.25 108.893 169.644 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 35.0 m -59.42 -40.76 87.73 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 123.91 0.884 . . . . 71.44 110.013 -179.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -58.04 -58.48 8.22 Favored 'General case' 0 C--N 1.348 0.523 0 CA-C-N 115.064 -0.971 . . . . 75.04 110.522 170.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.557 ' O ' ' HB2' ' A' ' 34' ' ' LEU . 2.2 mm? -61.34 -31.39 71.26 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.866 0.866 . . . . 74.3 112.7 -171.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.0 -34.01 26.42 Favored 'General case' 0 N--CA 1.483 1.175 0 CA-C-N 118.41 0.55 . . . . 72.43 110.181 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.497 ' HG ' ' HE2' ' A' ' 36' ' ' LYS . 55.7 tp -64.27 -52.56 58.01 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 123.358 0.663 . . . . 74.22 110.074 178.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.61 ' HB2' HG22 ' A' ' 38' ' ' THR . 1.0 OUTLIER -69.63 -32.01 70.46 Favored 'General case' 0 C--O 1.252 1.199 0 CA-C-N 115.421 -0.809 . . . . 75.24 111.107 179.63 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.557 ' HB2' ' O ' ' A' ' 30' ' ' LEU . 2.9 tm? -50.78 -61.69 2.06 Favored 'General case' 0 C--N 1.359 1.0 0 O-C-N 123.563 0.54 . . . . 73.02 109.707 177.273 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -73.27 -18.37 61.22 Favored 'General case' 0 C--N 1.363 1.171 0 O-C-N 126.989 2.681 . . . . 75.44 112.283 -173.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.504 ' HD2' ' HA ' ' A' ' 33' ' ' GLN . 66.9 mttm -63.62 -18.52 64.01 Favored 'General case' 0 N--CA 1.492 1.657 0 CA-C-O 121.04 0.448 . . . . 75.21 110.159 163.329 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 82.7 44.13 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 125.97 1.708 . . . . 74.34 107.427 171.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.61 HG22 ' HB2' ' A' ' 33' ' ' GLN . 1.4 t -94.46 178.66 5.54 Favored 'General case' 0 N--CA 1.497 1.914 0 CA-C-N 114.546 -1.206 . . . . 71.12 113.435 -164.666 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -102.5 -44.73 5.27 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.898 1.279 . . . . 73.34 111.483 174.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.5 ' HA ' HE22 ' B' ' 141' ' ' GLN . 32.9 ttm180 -137.15 151.39 48.76 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.118 0.567 . . . . 74.43 111.608 -169.587 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.446 ' N ' HE22 ' A' ' 41' ' ' GLN . 0.0 OUTLIER -110.42 168.75 9.22 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.812 1.245 . . . . 74.22 109.393 173.174 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -77.8 -11.05 59.85 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.703 0.801 . . . . 71.42 111.592 176.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 44.1 mtm-85 69.26 -71.46 0.12 Allowed 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 125.879 1.671 . . . . 72.41 111.766 172.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 74.2 t80 . . . . . 0 N--CA 1.471 0.623 0 C-N-CA 123.354 0.662 . . . . 71.43 109.879 177.991 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 . . . . . 0 CA--C 1.536 0.44 0 CA-C-O 120.68 0.276 . . . . 65.42 110.973 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 102' ' ' PHE . . . . . 0.426 ' HD2' HD22 ' B' ' 105' ' ' LEU . 96.2 m-85 -105.7 -13.34 15.59 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.738 0.815 . . . . 73.1 110.949 175.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.4 -31.67 66.07 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-O 121.761 0.791 . . . . 74.12 110.288 176.036 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 104' ' ' LYS . . . . . 0.434 ' O ' ' HG2' ' B' ' 108' ' ' GLN . 0.0 OUTLIER -70.65 -39.2 73.75 Favored 'General case' 0 C--O 1.214 -0.778 0 CA-C-N 114.208 -1.36 . . . . 74.43 110.599 178.303 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . 0.426 HD22 ' HD2' ' B' ' 102' ' ' PHE . 0.5 OUTLIER -59.73 -41.4 90.8 Favored 'General case' 0 C--N 1.375 1.715 0 N-CA-C 108.637 -0.875 . . . . 73.13 108.637 -178.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 106' ' ' TYR . . . . . 0.41 ' CE2' HD13 ' A' ' 9' ' ' ILE . 34.3 t80 -55.73 -51.79 66.14 Favored 'General case' 0 C--N 1.357 0.904 0 O-C-N 124.907 1.379 . . . . 75.0 109.297 176.614 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -64.64 -36.37 84.03 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 113.428 0.899 . . . . 73.31 113.428 -178.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 108' ' ' GLN . . . . . 0.434 ' HG2' ' O ' ' B' ' 104' ' ' LYS . 9.1 mm-40 -66.74 -59.14 3.83 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 122.717 0.407 . . . . 74.12 110.698 -175.618 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 18.5 mt -63.7 -36.89 78.14 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.812 0 O-C-N 123.943 0.777 . . . . 74.34 110.259 -177.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -68.79 -36.78 78.69 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 123.597 0.759 . . . . 73.51 110.628 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -61.61 -43.45 98.84 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 122.605 0.362 . . . . 74.34 110.551 177.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 112' ' ' GLU . . . . . 0.447 ' O ' ' HG ' ' B' ' 116' ' ' LEU . 6.3 tp10 -66.45 -45.07 81.03 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 115.381 -0.827 . . . . 72.41 110.371 175.705 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -61.01 -35.8 77.81 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 124.903 1.281 . . . . 74.41 110.822 -177.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 114' ' ' GLU . . . . . 0.67 ' HA ' ' HE2' ' B' ' 117' ' ' LYS . 2.6 tt0 -64.77 -50.71 65.73 Favored 'General case' 0 C--O 1.25 1.087 0 C-N-CA 124.794 1.237 . . . . 60.24 110.043 177.445 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 23.9 ttpt -54.92 -41.58 71.18 Favored 'General case' 0 C--N 1.349 0.576 0 O-C-N 124.237 0.961 . . . . 75.41 110.02 174.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 116' ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' B' ' 112' ' ' GLU . 93.7 mt -66.0 -32.25 73.62 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 115.252 -0.886 . . . . 75.51 112.036 -176.12 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . 0.67 ' HE2' ' HA ' ' B' ' 114' ' ' GLU . 46.4 mtmt -66.04 -45.32 81.84 Favored 'General case' 0 N--CA 1.482 1.138 0 CA-C-O 121.277 0.56 . . . . 73.4 110.116 174.61 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -67.99 -48.76 64.89 Favored 'General case' 0 C--O 1.241 0.64 0 CA-C-N 115.299 -0.864 . . . . 61.2 111.102 -175.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -66.96 -37.09 83.63 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 123.457 0.703 . . . . 73.13 111.155 -175.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 1.1 pp -64.89 -42.08 95.08 Favored 'General case' 0 C--N 1.36 1.053 0 N-CA-C 109.351 -0.611 . . . . 75.12 109.351 178.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 121' ' ' HIS . . . . . 0.491 ' O ' ' HG2' ' B' ' 125' ' ' MET . 34.5 t-80 -60.22 -42.51 95.34 Favored 'General case' 0 C--N 1.358 0.965 0 O-C-N 124.008 0.817 . . . . 72.51 109.961 179.106 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -61.47 -48.81 79.41 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 124.03 0.932 . . . . 72.11 111.149 178.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 123' ' ' THR . . . . . 0.594 HG23 HG23 ' A' ' 23' ' ' THR . 17.8 m -63.84 -31.98 73.35 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 123.738 0.815 . . . . 71.51 110.687 179.059 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 124' ' ' ASN . . . . . 0.524 ' ND2' HG21 ' A' ' 23' ' ' THR . 1.0 OUTLIER -72.47 -35.42 68.21 Favored 'General case' 0 C--N 1.351 0.633 0 CA-C-N 115.644 -0.707 . . . . 52.54 110.134 177.855 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 125' ' ' MET . . . . . 0.491 ' HG2' ' O ' ' B' ' 121' ' ' HIS . 87.8 mmm -63.97 -39.24 93.68 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.171 0.588 . . . . 75.34 112.237 177.01 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 126' ' ' GLU . . . . . 0.474 ' O ' ' HG ' ' B' ' 130' ' ' LEU . 19.3 mt-10 -65.95 -46.38 78.34 Favored 'General case' 0 C--N 1.349 0.571 0 O-C-N 123.702 0.626 . . . . 65.44 109.348 176.735 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 127' ' ' LEU . . . . . 0.459 HD21 HG22 ' A' ' 23' ' ' THR . 41.3 tp -60.62 -37.45 81.48 Favored 'General case' 0 CA--C 1.556 1.199 0 C-N-CA 123.914 0.886 . . . . 75.55 111.235 179.044 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 128' ' ' THR . . . . . . . . . . . . . 29.1 m -67.11 -41.29 86.48 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.429 1.092 . . . . 71.22 110.107 176.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -66.78 -32.74 74.23 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-N 115.267 -0.879 . . . . 74.54 110.668 179.045 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 130' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' B' ' 126' ' ' GLU . 95.5 mt -71.85 -46.63 57.35 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.446 0.698 . . . . 73.25 111.866 -177.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.91 -32.43 72.05 Favored 'General case' 0 N--CA 1.486 1.362 0 CA-C-O 120.933 0.397 . . . . 71.42 110.249 179.261 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 35.1 tp -69.6 -41.4 75.79 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 116.085 -0.507 . . . . 74.23 110.561 176.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 133' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -69.51 -20.88 63.71 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 122.686 0.394 . . . . 75.21 110.94 174.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 17.1 tp -75.05 -38.05 61.5 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.498 0.719 . . . . 74.11 110.449 -178.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 135' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -79.78 -18.88 49.92 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 115.982 -0.554 . . . . 73.22 111.49 172.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -77.39 -30.5 53.67 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 122.59 0.356 . . . . 74.24 110.586 168.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -71.65 -40.34 69.73 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.11 0.564 . . . . 62.52 110.651 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 138' ' ' THR . . . . . . . . . . . . . 2.1 t -147.88 -69.18 0.23 Allowed 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 116.152 -0.476 . . . . 74.45 110.527 177.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -178.57 -22.91 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.926 0.89 . . . . 70.15 111.156 -172.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 140' ' ' ARG . . . . . 0.424 HH11 ' HD3' ' B' ' 140' ' ' ARG . 22.2 ttt180 68.8 153.87 0.11 Allowed 'General case' 0 N--CA 1.491 1.607 0 C-N-CA 124.382 1.073 . . . . 73.52 112.829 174.833 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 141' ' ' GLN . . . . . 0.5 HE22 ' HA ' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -66.84 148.4 51.99 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.401 0.681 . . . . 74.33 111.085 173.707 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -85.49 79.72 9.33 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-O 122.086 0.946 . . . . 72.43 111.708 -177.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 143' ' ' ARG . . . . . 0.417 ' HG3' ' HG2' ' B' ' 141' ' ' GLN . 56.6 mtm180 -90.4 -65.51 1.01 Allowed 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 107.597 -1.26 . . . . 75.12 107.597 165.781 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 144' ' ' PHE . . . . . . . . . . . . . 46.8 t80 . . . . . 0 CA--C 1.546 0.796 0 N-CA-C 107.562 -1.273 . . . . 75.31 107.562 173.677 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 . . . . . 0 N--CA 1.485 1.283 0 CA-C-O 120.765 0.317 . . . . 74.54 110.732 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -67.17 -24.47 65.88 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 113.244 0.831 . . . . 72.33 113.244 -178.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.63 -44.95 76.77 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 109.711 -0.477 . . . . 74.25 109.711 177.784 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.411 ' O ' ' HG2' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -78.3 -22.52 48.07 Favored 'General case' 0 C--O 1.215 -0.73 0 N-CA-C 109.386 -0.598 . . . . 74.24 109.386 -178.13 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 24.3 tp -54.32 -41.93 69.57 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.767 0.827 . . . . 73.51 109.957 172.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -55.43 -56.14 23.64 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-N 114.319 -1.31 . . . . 74.14 109.416 171.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.78 -31.65 64.86 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 113.199 0.814 . . . . 73.51 113.199 179.613 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.411 ' HG2' ' O ' ' A' ' 4' ' ' LYS . 10.1 mm-40 -64.11 -69.31 0.29 Allowed 'General case' 0 N--CA 1.48 1.025 0 O-C-N 123.29 0.369 . . . . 71.34 110.959 -178.17 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.521 HD11 ' CD2' ' B' ' 106' ' ' TYR . 15.4 mt -59.33 -40.76 82.24 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 O-C-N 123.006 0.191 . . . . 74.42 111.011 179.546 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.41 -28.19 69.07 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 123.704 0.801 . . . . 74.32 110.983 -177.069 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.57 -50.18 70.5 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 122.748 0.419 . . . . 74.22 110.202 174.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -70.13 -31.31 68.78 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 116.04 -0.527 . . . . 72.01 110.767 177.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -64.92 -41.61 95.41 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 124.094 0.958 . . . . 71.42 109.812 179.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -57.82 -51.0 71.38 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.864 1.266 . . . . 74.24 110.002 173.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.8 ttpt -57.37 -45.59 84.25 Favored 'General case' 0 C--O 1.22 -0.484 0 CA-C-N 114.777 -1.102 . . . . 74.11 110.221 178.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.47 ' HB3' ' HB3' ' B' ' 116' ' ' LEU . 82.1 mt -64.83 -32.83 74.71 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 123.933 0.893 . . . . 65.32 111.251 -174.268 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 50.7 mtmt -68.74 -38.47 80.17 Favored 'General case' 0 N--CA 1.472 0.673 0 O-C-N 123.464 0.478 . . . . 73.12 110.569 174.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.7 -53.54 21.54 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 115.85 -0.614 . . . . 73.44 110.903 -176.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.422 ' OE1' HD21 ' B' ' 120' ' ' LEU . 0.4 OUTLIER -68.72 -32.25 71.9 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.054 0.941 . . . . 74.51 112.797 -177.194 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.36 -42.99 87.23 Favored 'General case' 0 C--N 1.356 0.861 0 N-CA-C 108.617 -0.883 . . . . 75.41 108.617 174.714 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 57.2 t-80 -62.06 -37.82 86.45 Favored 'General case' 0 C--N 1.355 0.843 0 O-C-N 123.969 0.793 . . . . 75.55 110.138 -178.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -59.62 -52.28 66.19 Favored 'General case' 0 C--N 1.353 0.744 0 O-C-N 123.831 0.707 . . . . 73.43 110.429 172.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.547 HG21 HG23 ' B' ' 123' ' ' THR . 21.4 m -66.92 -27.34 67.41 Favored 'General case' 0 CA--C 1.547 0.851 0 O-C-N 123.829 0.706 . . . . 73.51 112.373 -176.445 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.527 ' ND2' HG21 ' B' ' 123' ' ' THR . 0.9 OUTLIER -75.35 -43.1 52.38 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.178 0.591 . . . . 75.5 109.769 177.578 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.28 -38.74 85.56 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.96 -0.563 . . . . 75.23 111.691 179.589 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.531 ' HG2' ' HA ' ' A' ' 23' ' ' THR . 13.3 pt-20 -80.23 -19.55 46.63 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 123.595 0.559 . . . . 74.45 110.376 178.717 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.533 HD21 HG22 ' B' ' 123' ' ' THR . 50.5 tp -69.89 -50.6 40.79 Favored 'General case' 0 C--N 1.353 0.721 0 C-N-CA 123.025 0.53 . . . . 71.51 109.765 171.283 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 88.7 m -63.57 -41.39 98.39 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.053 0.941 . . . . 63.43 110.407 179.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.521 ' HB3' ' HA ' ' A' ' 26' ' ' GLU . 2.6 t70 -58.18 -52.98 63.31 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 114.281 -1.327 . . . . 72.33 109.978 173.52 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.43 ' HB2' ' O ' ' A' ' 26' ' ' GLU . 0.5 OUTLIER -58.19 -48.76 79.32 Favored 'General case' 0 C--N 1.355 0.831 0 O-C-N 124.204 0.94 . . . . 70.23 111.658 -174.794 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.5 -32.87 72.0 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 123.55 0.531 . . . . 74.52 111.609 -176.672 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.2 tt -60.11 -60.44 3.82 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.225 1.01 . . . . 74.51 110.613 178.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.504 ' HG2' ' O ' ' A' ' 29' ' ' ASP . 7.2 pt20 -68.07 -36.6 80.09 Favored 'General case' 0 CA--C 1.552 1.037 0 CA-C-N 115.282 -0.872 . . . . 74.0 110.611 -179.364 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 37.7 tp -49.7 -58.8 4.61 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.899 0.88 . . . . 74.23 110.449 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -67.13 -30.52 70.54 Favored 'General case' 0 C--N 1.362 1.151 0 O-C-N 126.275 2.235 . . . . 75.11 111.595 -175.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -61.8 -15.31 40.59 Favored 'General case' 0 N--CA 1.493 1.686 0 CA-C-O 120.584 0.23 . . . . 75.04 111.111 168.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 84.78 55.79 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 126.392 1.877 . . . . 63.53 109.071 172.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.441 HG22 ' HB2' ' A' ' 33' ' ' GLN . 1.8 t -96.2 169.79 9.7 Favored 'General case' 0 N--CA 1.491 1.623 0 CA-C-N 114.554 -1.203 . . . . 71.52 111.214 -175.656 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -116.85 -54.29 2.44 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.728 0.811 . . . . 73.25 111.123 178.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.52 ' HA ' ' OE1' ' B' ' 141' ' ' GLN . 6.7 tmm_? -82.02 140.14 34.1 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.034 0.534 . . . . 71.32 111.195 -175.323 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -124.7 147.86 48.36 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 114.933 -1.03 . . . . 74.22 108.615 175.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -116.56 -21.29 9.24 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.785 1.234 . . . . 73.34 109.724 174.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 55.5 mtp180 70.25 -72.93 0.1 Allowed 'General case' 0 C--N 1.364 1.205 0 C-N-CA 125.736 1.615 . . . . 72.3 111.53 175.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 75.1 t80 . . . . . 0 N--CA 1.476 0.873 0 C-N-CA 123.754 0.822 . . . . 75.14 111.375 179.985 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 . . . . . 0 N--CA 1.471 0.587 0 CA-C-O 120.659 0.266 . . . . 70.24 111.344 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 102' ' ' PHE . . . . . 0.46 ' HD2' HD21 ' B' ' 105' ' ' LEU . 96.5 m-85 -108.33 -4.61 17.3 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.689 0.796 . . . . 74.31 111.794 -178.676 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.0 -34.46 71.88 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 108.924 -0.769 . . . . 72.41 108.924 174.633 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 104' ' ' LYS . . . . . 0.486 ' O ' ' HG2' ' B' ' 108' ' ' GLN . 0.0 OUTLIER -62.58 -41.65 99.07 Favored 'General case' 0 C--N 1.362 1.122 0 CA-C-N 115.024 -0.989 . . . . 75.41 110.816 176.253 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . 0.46 HD21 ' HD2' ' B' ' 102' ' ' PHE . 0.5 OUTLIER -60.77 -41.85 96.31 Favored 'General case' 0 C--N 1.377 1.782 0 N-CA-C 109.109 -0.701 . . . . 74.14 109.109 -178.095 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 106' ' ' TYR . . . . . 0.521 ' CD2' HD11 ' A' ' 9' ' ' ILE . 39.5 t80 -57.39 -46.62 83.25 Favored 'General case' 0 C--N 1.36 1.053 0 O-C-N 124.366 1.041 . . . . 74.53 109.277 178.203 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -66.88 -39.7 87.57 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.063 0.945 . . . . 73.31 112.376 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 108' ' ' GLN . . . . . 0.486 ' HG2' ' O ' ' B' ' 104' ' ' LYS . 11.9 mm-40 -67.83 -58.49 4.51 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 122.992 0.517 . . . . 75.45 111.169 -175.166 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 18.6 mt -69.14 -37.3 76.35 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.617 0 CA-C-N 115.617 -0.719 . . . . 73.13 110.654 -174.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 110' ' ' LEU . . . . . 0.515 ' HB2' HD12 ' A' ' 9' ' ' ILE . 19.6 tp -74.14 -27.78 61.02 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 122.593 0.357 . . . . 72.54 111.518 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -62.89 -45.64 91.58 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 109.592 -0.521 . . . . 73.44 109.592 171.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 112' ' ' GLU . . . . . 0.425 ' O ' ' HG ' ' B' ' 116' ' ' LEU . 5.8 tp10 -64.68 -45.24 87.51 Favored 'General case' 0 C--O 1.216 -0.702 0 CA-C-N 115.152 -0.931 . . . . 72.32 110.017 176.683 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -59.84 -40.71 89.43 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 125.11 1.364 . . . . 72.31 110.694 -177.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -59.32 -54.17 49.87 Favored 'General case' 0 C--O 1.243 0.758 0 C-N-CA 124.319 1.048 . . . . 74.15 110.008 175.312 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 26.2 ttpt -56.17 -41.57 75.69 Favored 'General case' 0 C--O 1.218 -0.582 0 O-C-N 124.253 0.971 . . . . 74.22 110.298 178.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 116' ' ' LEU . . . . . 0.47 ' HB3' ' HB3' ' A' ' 16' ' ' LEU . 90.9 mt -64.78 -30.86 71.88 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 123.994 0.809 . . . . 71.44 111.463 -176.291 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . 0.423 ' HA ' HD23 ' B' ' 120' ' ' LEU . 54.3 mtmt -75.08 -35.69 61.8 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-O 120.787 0.327 . . . . 72.14 111.002 175.032 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -71.5 -42.23 68.29 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.492 0.717 . . . . 74.41 111.223 -179.286 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -76.43 -36.01 58.23 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.511 0.724 . . . . 74.44 110.765 -174.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 120' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' B' ' 117' ' ' LYS . 1.2 pp -64.22 -43.99 93.29 Favored 'General case' 0 C--N 1.363 1.183 0 N-CA-C 108.627 -0.879 . . . . 75.12 108.627 176.328 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 -56.63 -46.57 80.9 Favored 'General case' 0 C--N 1.363 1.153 0 O-C-N 124.08 0.862 . . . . 73.12 110.686 179.059 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -63.48 -45.32 91.28 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 124.038 0.836 . . . . 72.43 111.292 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 123' ' ' THR . . . . . 0.547 HG23 HG21 ' A' ' 23' ' ' THR . 37.5 m -69.97 -25.51 63.65 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 123.25 0.62 . . . . 74.22 111.399 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 124' ' ' ASN . . . . . 0.501 ' ND2' HG22 ' A' ' 23' ' ' THR . 0.9 OUTLIER -71.26 -36.21 71.66 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 109.403 -0.591 . . . . 73.32 109.403 172.807 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 125' ' ' MET . . . . . . . . . . . . . 2.5 mmt -68.65 -38.8 80.73 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.262 0.625 . . . . 74.41 110.948 177.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -61.45 -44.75 96.55 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.356 0.662 . . . . 72.15 109.589 174.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 46.0 tp -62.89 -39.86 95.77 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 124.408 1.083 . . . . 73.34 110.864 178.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 128' ' ' THR . . . . . . . . . . . . . 86.2 m -64.31 -35.96 82.55 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.056 0.942 . . . . 74.24 110.434 177.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -65.34 -46.53 79.87 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 115.255 -0.884 . . . . 74.41 110.274 178.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 130' ' ' LEU . . . . . 0.428 HD13 HD13 ' A' ' 27' ' ' LEU . 68.0 mt -69.75 -34.12 73.37 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.276 0.63 . . . . 73.44 111.624 -178.533 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.27 -33.15 67.25 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 109.023 -0.732 . . . . 75.13 109.023 -179.063 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 56.0 tp -64.96 -47.75 76.52 Favored 'General case' 0 C--N 1.356 0.877 0 C-N-CA 123.611 0.764 . . . . 73.45 109.312 173.07 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 133' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -63.63 -28.8 70.16 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 115.644 -0.707 . . . . 72.13 111.331 178.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 22.4 tp -66.98 -50.85 60.97 Favored 'General case' 0 C--O 1.25 1.122 0 CA-C-O 121.829 0.823 . . . . 75.1 110.104 -178.279 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 135' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -73.87 -15.12 61.16 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 114.737 -1.12 . . . . 63.05 111.948 177.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -93.6 -17.03 23.75 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.373 0.669 . . . . 74.35 111.761 171.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -75.12 -38.82 60.95 Favored 'General case' 0 N--CA 1.484 1.254 0 CA-C-O 121.471 0.653 . . . . 70.25 109.444 177.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 138' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -142.99 -77.69 0.24 Allowed 'General case' 0 C--O 1.241 0.627 0 CA-C-N 114.463 -1.244 . . . . 71.02 109.436 -179.063 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -172.17 -28.22 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.071 0.948 . . . . 74.34 110.793 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 140' ' ' ARG . . . . . . . . . . . . . 31.2 ttt180 68.35 161.0 0.18 Allowed 'General case' 0 N--CA 1.498 1.967 0 C-N-CA 124.086 0.954 . . . . 74.31 110.615 179.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 141' ' ' GLN . . . . . 0.52 ' OE1' ' HA ' ' A' ' 40' ' ' ARG . 5.5 pm0 -62.73 152.48 35.53 Favored 'General case' 0 N--CA 1.486 1.357 0 O-C-N 121.606 -0.684 . . . . 74.21 110.393 173.409 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -73.04 -19.13 61.25 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.334 0.654 . . . . 73.33 112.317 -172.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 21.2 mmm180 64.76 -80.5 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 124.493 1.117 . . . . 73.54 111.788 176.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 144' ' ' PHE . . . . . . . . . . . . . 80.8 t80 . . . . . 0 C--O 1.251 1.179 0 N-CA-C 108.876 -0.786 . . . . 73.24 108.876 177.467 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.512 ' O ' ' HG3' ' A' ' 4' ' ' LYS . 7.9 m-20 . . . . . 0 N--CA 1.481 1.081 0 CA-C-O 121.116 0.484 . . . . 74.32 110.261 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -68.62 -14.06 62.77 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 114.493 1.294 . . . . 75.42 114.493 -165.211 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.0 -45.97 72.6 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 109.307 -0.627 . . . . 64.11 109.307 174.516 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.512 ' HG3' ' O ' ' A' ' 1' ' ' ASP . 0.0 OUTLIER -75.78 -28.86 58.56 Favored 'General case' 0 C--N 1.361 1.097 0 CA-C-O 119.022 -0.513 . . . . 75.5 110.092 179.239 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 24.5 tp -56.77 -48.55 77.61 Favored 'General case' 0 N--CA 1.483 1.208 0 O-C-N 123.419 0.449 . . . . 72.53 109.952 175.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 20.1 t80 -54.57 -52.93 60.57 Favored 'General case' 0 C--N 1.358 0.95 0 O-C-N 124.544 1.153 . . . . 74.33 109.763 175.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -65.28 -34.34 78.11 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 115.022 -0.99 . . . . 74.13 113.436 -173.029 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.464 ' HG2' ' HE3' ' A' ' 4' ' ' LYS . 5.8 mm-40 -69.55 -55.01 11.34 Favored 'General case' 0 N--CA 1.488 1.425 0 CA-C-N 118.068 0.394 . . . . 74.52 111.01 -177.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.42 HD12 ' CD2' ' B' ' 106' ' ' TYR . 3.5 mt -58.93 -47.14 90.61 Favored 'Isoleucine or valine' 0 C--N 1.366 1.307 0 O-C-N 123.452 0.47 . . . . 73.14 110.042 176.762 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -65.27 -30.71 71.6 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 124.584 1.153 . . . . 73.54 111.095 -174.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.84 -39.82 76.19 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 122.513 0.325 . . . . 70.3 110.338 175.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 20.9 tp10 -73.12 -31.8 64.53 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 123.581 0.752 . . . . 73.32 110.497 176.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -74.07 -44.43 54.18 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 124.923 1.289 . . . . 74.44 109.104 -175.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -65.99 -42.9 89.2 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 114.696 -1.138 . . . . 74.35 109.947 174.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.2 ttpt -52.67 -49.42 65.29 Favored 'General case' 0 CA--C 1.544 0.719 0 O-C-N 123.85 0.719 . . . . 75.15 110.555 174.34 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 92.3 mt -66.03 -29.44 69.8 Favored 'General case' 0 N--CA 1.477 0.881 0 O-C-N 124.154 0.909 . . . . 73.23 111.424 179.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.621 ' HA ' HD21 ' A' ' 20' ' ' LEU . 0.3 OUTLIER -72.79 -32.86 65.89 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 123.236 0.614 . . . . 73.31 110.776 174.605 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.88 -50.8 18.54 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.352 0.661 . . . . 74.14 110.247 -177.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -66.86 -34.97 78.96 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.155 0.582 . . . . 73.21 111.478 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.621 HD21 ' HA ' ' A' ' 17' ' ' LYS . 0.4 OUTLIER -63.65 -41.98 98.17 Favored 'General case' 0 C--N 1.364 1.205 0 N-CA-C 109.036 -0.727 . . . . 75.54 109.036 175.9 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.472 ' O ' ' HG2' ' A' ' 25' ' ' MET . 38.9 t-80 -58.94 -50.23 74.85 Favored 'General case' 0 C--N 1.354 0.779 0 O-C-N 123.96 0.788 . . . . 74.24 110.294 -178.289 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.407 ' O ' ' HG2' ' A' ' 26' ' ' GLU . 3.2 m-20 -58.9 -42.59 89.97 Favored 'General case' 0 N--CA 1.48 1.075 0 O-C-N 123.988 0.805 . . . . 72.14 111.369 176.065 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.577 HG21 ' ND2' ' B' ' 124' ' ' ASN . 81.4 m -65.7 -31.57 72.64 Favored 'General case' 0 CA--C 1.552 1.044 0 O-C-N 123.999 0.812 . . . . 74.21 111.412 -179.518 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.456 ' ND2' HG22 ' B' ' 123' ' ' THR . 5.3 m-80 -74.8 -39.12 61.89 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.554 0.742 . . . . 64.34 110.324 177.669 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.472 ' HG2' ' O ' ' A' ' 21' ' ' HIS . 90.6 mmm -65.25 -45.19 85.56 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.191 0.596 . . . . 73.55 111.024 178.036 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.407 ' HG2' ' O ' ' A' ' 22' ' ' ASP . 14.8 pt-20 -76.29 -23.92 54.39 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 116.394 -0.366 . . . . 73.35 110.941 179.459 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.4 tt -63.89 -43.14 96.9 Favored 'General case' 0 C--N 1.357 0.892 0 N-CA-C 107.877 -1.157 . . . . 74.32 107.877 169.274 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 27.9 m -65.43 -39.4 92.05 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.343 0.657 . . . . 74.5 111.23 179.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.421 ' O ' ' HG3' ' A' ' 33' ' ' GLN . 12.6 t70 -62.25 -59.25 5.3 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.241 0.617 . . . . 71.13 109.338 179.775 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.599 HD22 HD23 ' B' ' 127' ' ' LEU . 9.6 mp -53.05 -54.23 38.5 Favored 'General case' 0 C--O 1.207 -1.142 0 O-C-N 124.909 1.381 . . . . 72.41 110.069 -179.479 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 53.5 tptt -46.58 -55.23 7.94 Favored 'General case' 0 C--O 1.248 1.008 0 C-N-CA 125.87 1.668 . . . . 75.21 112.279 177.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 60.6 tp -62.45 -66.19 0.58 Allowed 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 114.988 -1.006 . . . . 71.42 111.372 -172.205 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.435 ' NE2' ' HA ' ' A' ' 30' ' ' LEU . 2.7 pp0? -71.56 -20.64 61.99 Favored 'General case' 0 CA--C 1.546 0.827 0 N-CA-C 112.297 0.48 . . . . 75.04 112.297 -174.528 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 21.1 tp -56.05 -59.14 5.34 Favored 'General case' 0 N--CA 1.487 1.389 0 CA-C-O 118.884 -0.579 . . . . 74.23 110.289 171.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -73.69 -18.13 61.05 Favored 'General case' 0 N--CA 1.48 1.026 0 O-C-N 125.075 1.485 . . . . 62.14 112.128 -176.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -77.28 -5.81 50.8 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 123.12 0.568 . . . . 74.44 110.45 166.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 83.38 65.6 0.02 OUTLIER 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 126.118 1.767 . . . . 70.42 109.297 169.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 9.7 t -39.4 163.0 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.063 0 CA-C-N 111.678 -2.51 . . . . 74.42 117.371 -174.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.02 -14.05 1.59 Allowed 'General case' 0 CA--C 1.559 1.301 0 CA-C-N 112.285 -2.234 . . . . 73.33 110.267 172.694 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 19.3 ttt180 -174.59 161.35 3.22 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 125.219 1.408 . . . . 74.51 109.066 -170.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.408 ' HG2' HE21 ' B' ' 141' ' ' GLN . 2.2 pt20 -125.73 155.5 40.87 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 108.906 -0.776 . . . . 74.25 108.906 174.153 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -114.49 -27.96 7.36 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 122.972 0.509 . . . . 65.11 110.461 176.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 79.3 mtp180 69.08 -69.91 0.15 Allowed 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 126.023 1.729 . . . . 72.52 112.417 177.5 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 87.6 t80 . . . . . 0 N--CA 1.484 1.255 0 C-N-CA 123.568 0.747 . . . . 64.32 111.467 178.54 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 . . . . . 0 N--CA 1.468 0.466 0 CA-C-O 121.43 0.633 . . . . 72.43 110.557 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 102' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -107.1 -3.12 20.29 Favored 'General case' 0 C--O 1.248 0.993 0 C-N-CA 124.472 1.109 . . . . 72.04 110.465 177.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 103' ' ' LYS . . . . . 0.413 ' O ' ' HG2' ' B' ' 107' ' ' GLU . 0.0 OUTLIER -59.38 -31.47 69.26 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 109.215 -0.661 . . . . 74.41 109.215 173.268 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 104' ' ' LYS . . . . . 0.481 ' O ' ' HG2' ' B' ' 108' ' ' GLN . 0.0 OUTLIER -73.57 -31.39 63.59 Favored 'General case' 0 C--O 1.213 -0.835 0 CA-C-N 114.45 -1.25 . . . . 75.31 110.812 -179.233 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.04 -41.87 99.6 Favored 'General case' 0 C--N 1.369 1.435 0 N-CA-C 107.557 -1.275 . . . . 74.23 107.557 175.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 106' ' ' TYR . . . . . 0.42 ' CD2' HD12 ' A' ' 9' ' ' ILE . 21.0 t80 -61.47 -40.98 96.48 Favored 'General case' 0 C--N 1.359 0.979 0 CA-C-N 114.802 -1.09 . . . . 73.32 109.595 176.236 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 107' ' ' GLU . . . . . 0.413 ' HG2' ' O ' ' B' ' 103' ' ' LYS . 28.5 mm-40 -64.69 -46.79 80.9 Favored 'General case' 0 C--N 1.352 0.681 0 C-N-CA 122.945 0.498 . . . . 74.32 112.059 178.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 108' ' ' GLN . . . . . 0.481 ' HG2' ' O ' ' B' ' 104' ' ' LYS . 14.5 mm-40 -62.89 -58.01 8.86 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 123.051 0.54 . . . . 75.33 110.965 -172.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 12.9 mt -70.26 -39.57 76.94 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.844 0 CA-C-N 115.242 -0.89 . . . . 70.41 110.794 -172.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -73.18 -32.15 64.66 Favored 'General case' 0 N--CA 1.491 1.581 0 C-N-CA 122.911 0.484 . . . . 74.3 110.699 -178.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -68.26 -39.39 82.23 Favored 'General case' 0 N--CA 1.487 1.42 0 CA-C-N 118.0 0.363 . . . . 72.13 110.17 175.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 112' ' ' GLU . . . . . 0.4 ' O ' ' HG ' ' B' ' 116' ' ' LEU . 4.8 tp10 -66.49 -40.75 89.46 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 115.378 -0.828 . . . . 74.34 109.921 173.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -64.65 -36.27 83.72 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 124.841 1.256 . . . . 74.51 110.601 -178.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -61.27 -51.92 66.91 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.413 1.085 . . . . 75.43 109.71 172.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 16.6 ttpt -59.14 -34.66 72.33 Favored 'General case' 0 C--N 1.349 0.571 0 CA-C-N 115.111 -0.949 . . . . 74.24 110.266 177.353 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 116' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' B' ' 112' ' ' GLU . 74.7 mt -67.24 -33.49 75.44 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.536 0.734 . . . . 72.32 111.491 -178.677 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -70.06 -38.98 75.92 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 110.065 -0.346 . . . . 75.43 110.065 174.142 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -69.78 -43.75 71.5 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 123.734 0.813 . . . . 53.3 111.466 -176.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -74.54 -38.18 62.82 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.505 -0.77 . . . . 74.3 110.28 -176.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.88 -36.58 80.5 Favored 'General case' 0 C--N 1.363 1.177 0 N-CA-C 108.927 -0.768 . . . . 73.43 108.927 -178.782 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 121' ' ' HIS . . . . . 0.561 ' O ' ' HG2' ' B' ' 125' ' ' MET . 41.5 t-80 -56.62 -53.75 53.98 Favored 'General case' 0 C--N 1.359 1.007 0 N-CA-C 108.694 -0.854 . . . . 71.54 108.694 175.349 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 122' ' ' ASP . . . . . 0.4 ' O ' ' HG3' ' B' ' 126' ' ' GLU . 32.7 t70 -54.21 -48.41 71.05 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 124.451 1.095 . . . . 71.43 112.04 178.796 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 123' ' ' THR . . . . . 0.557 HG21 HG23 ' A' ' 23' ' ' THR . 7.0 m -68.13 -33.02 73.71 Favored 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 123.551 0.741 . . . . 73.11 110.688 -176.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 124' ' ' ASN . . . . . 0.577 ' ND2' HG21 ' A' ' 23' ' ' THR . 0.9 OUTLIER -75.51 -30.16 59.73 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.65 0.78 . . . . 74.43 110.707 178.47 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 125' ' ' MET . . . . . 0.561 ' HG2' ' O ' ' B' ' 121' ' ' HIS . 93.7 mmm -68.89 -42.29 77.16 Favored 'General case' 0 C--N 1.353 0.722 0 C-N-CA 122.564 0.346 . . . . 72.02 110.485 175.589 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 126' ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' B' ' 122' ' ' ASP . 14.6 mt-10 -67.45 -37.8 83.51 Favored 'General case' 0 N--CA 1.476 0.864 0 O-C-N 123.42 0.45 . . . . 71.24 109.808 177.316 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 127' ' ' LEU . . . . . 0.599 HD23 HD22 ' A' ' 30' ' ' LEU . 3.0 tm? -60.74 -47.95 84.0 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 123.948 0.899 . . . . 75.53 110.509 177.639 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 128' ' ' THR . . . . . 0.515 ' HA ' ' HG2' ' B' ' 131' ' ' LYS . 87.8 m -68.42 -30.82 69.8 Favored 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 123.666 0.786 . . . . 74.11 110.688 178.769 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -68.89 -49.16 60.57 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.196 0.598 . . . . 73.31 109.558 178.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 130' ' ' LEU . . . . . 0.509 ' HB3' ' HB3' ' A' ' 30' ' ' LEU . 97.4 mt -65.54 -35.92 82.28 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.625 0.77 . . . . 65.51 110.976 -178.201 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 131' ' ' LYS . . . . . 0.515 ' HG2' ' HA ' ' B' ' 128' ' ' THR . 10.3 pttp -71.77 -28.34 63.56 Favored 'General case' 0 C--N 1.365 1.248 0 O-C-N 123.374 0.421 . . . . 72.04 110.188 178.097 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 132' ' ' LEU . . . . . 0.692 ' HG ' ' HE3' ' B' ' 136' ' ' LYS . 32.1 tp -64.07 -52.27 60.1 Favored 'General case' 0 C--N 1.351 0.671 0 O-C-N 123.767 0.667 . . . . 71.53 109.797 177.002 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 133' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -70.82 -21.1 62.5 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-N 116.718 -0.219 . . . . 71.42 111.506 176.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 134' ' ' LEU . . . . . 0.42 HD21 HE21 ' A' ' 33' ' ' GLN . 0.2 OUTLIER -64.0 -48.89 74.61 Favored 'General case' 0 N--CA 1.482 1.165 0 N-CA-C 107.711 -1.218 . . . . 74.0 107.711 172.659 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 135' ' ' GLU . . . . . 0.407 ' HG2' ' O ' ' B' ' 131' ' ' LYS . 9.9 pt-20 -83.79 -0.47 51.16 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.27 0.628 . . . . 75.41 112.094 -177.741 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 136' ' ' LYS . . . . . 0.692 ' HE3' ' HG ' ' B' ' 132' ' ' LEU . 97.1 mttt -90.17 -52.54 4.89 Favored 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 123.196 0.598 . . . . 75.3 110.983 165.596 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -63.01 -37.25 86.43 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 124.251 1.02 . . . . 72.23 111.456 -175.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 138' ' ' THR . . . . . 0.41 HG21 ' O ' ' B' ' 134' ' ' LEU . 14.0 t -125.49 -179.15 4.49 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.625 0.77 . . . . 72.43 109.306 171.586 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -74.44 -32.12 62.52 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 122.97 0.508 . . . . 74.13 109.887 174.626 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 140' ' ' ARG . . . . . . . . . . . . . 54.0 ttt180 64.16 131.55 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 125.046 1.338 . . . . 73.4 110.894 -173.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 141' ' ' GLN . . . . . 0.408 HE21 ' HG2' ' A' ' 41' ' ' GLN . 4.9 pm0 -52.61 144.44 13.82 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 123.941 0.896 . . . . 72.14 111.04 175.128 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -106.37 40.33 1.63 Allowed 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 123.401 0.68 . . . . 74.44 110.826 -167.775 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 65.4 mtp180 -65.37 -55.0 20.64 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 115.117 -0.947 . . . . 74.32 110.431 179.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 144' ' ' PHE . . . . . . . . . . . . . 84.1 t80 . . . . . 0 C--O 1.251 1.18 0 N-CA-C 108.741 -0.837 . . . . 74.52 108.741 175.698 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.455 ' O ' ' HG3' ' A' ' 4' ' ' LYS . 4.1 m-20 . . . . . 0 N--CA 1.483 1.179 0 CA-C-O 120.605 0.24 . . . . 53.34 110.651 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.438 ' HD1' HD22 ' A' ' 5' ' ' LEU . 58.2 m-85 -66.84 -14.54 62.82 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 113.985 1.106 . . . . 72.22 113.985 -176.274 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.443 ' HD3' ' H ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -68.68 -35.56 77.36 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 121.322 0.582 . . . . 74.14 109.914 179.09 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.455 ' HG3' ' O ' ' A' ' 1' ' ' ASP . 0.1 OUTLIER -83.83 -26.23 29.7 Favored 'General case' 0 C--O 1.213 -0.862 0 CA-C-N 114.984 -1.007 . . . . 71.12 109.42 179.012 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.438 HD22 ' HD1' ' A' ' 2' ' ' PHE . 20.6 tp -55.87 -45.43 78.54 Favored 'General case' 0 C--N 1.364 1.209 0 N-CA-C 109.628 -0.508 . . . . 74.21 109.628 173.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -54.61 -53.45 54.52 Favored 'General case' 0 C--N 1.358 0.957 0 O-C-N 124.747 1.279 . . . . 73.24 109.512 173.097 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -58.81 -35.58 73.1 Favored 'General case' 0 N--CA 1.472 0.641 0 O-C-N 124.52 1.138 . . . . 74.44 112.924 -177.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.414 ' HG2' ' O ' ' A' ' 4' ' ' LYS . 8.6 mm-40 -64.25 -64.55 0.85 Allowed 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 123.144 0.578 . . . . 72.1 111.057 -176.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.519 HD13 ' CD1' ' B' ' 106' ' ' TYR . 14.1 mt -59.9 -40.64 83.42 Favored 'Isoleucine or valine' 0 C--N 1.358 0.947 0 CA-C-O 119.558 -0.258 . . . . 75.31 111.224 177.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.75 -30.68 70.96 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 123.406 0.682 . . . . 74.33 110.959 -176.394 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.4 -44.85 93.49 Favored 'General case' 0 N--CA 1.48 1.073 0 N-CA-C 109.653 -0.499 . . . . 64.0 109.653 175.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.448 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 2.9 tp10 -69.66 -36.6 76.19 Favored 'General case' 0 C--O 1.211 -0.97 0 CA-C-N 115.051 -0.977 . . . . 73.13 110.385 176.738 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -66.34 -46.58 76.32 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 125.001 1.32 . . . . 75.34 110.307 -175.109 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -58.9 -47.92 83.27 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.689 1.196 . . . . 65.02 109.966 173.093 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.9 ttpt -58.83 -40.58 84.6 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 123.949 0.781 . . . . 73.42 110.852 178.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.491 ' HB3' ' HB3' ' B' ' 116' ' ' LEU . 86.6 mt -68.82 -30.16 68.65 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.606 0.762 . . . . 75.01 110.84 -177.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.35 -33.06 67.01 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 123.244 0.617 . . . . 74.54 109.91 174.061 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.82 -58.67 3.85 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 116.059 -0.519 . . . . 75.54 110.343 179.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -64.91 -28.21 69.38 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.642 0.777 . . . . 75.15 112.661 -177.124 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.427 ' HB3' HE21 ' B' ' 119' ' ' GLN . 0.9 OUTLIER -67.01 -44.41 80.37 Favored 'General case' 0 C--N 1.359 1.015 0 N-CA-C 109.401 -0.592 . . . . 75.31 109.401 171.89 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -55.6 -36.41 66.89 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 123.829 0.852 . . . . 73.21 110.419 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -64.11 -56.49 14.51 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.823 0.849 . . . . 72.14 111.284 171.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.512 HG21 HG23 ' B' ' 123' ' ' THR . 6.8 m -67.66 -24.58 65.45 Favored 'General case' 0 N--CA 1.481 1.099 0 N-CA-C 111.892 0.33 . . . . 71.25 111.892 -173.73 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.567 ' ND2' HG21 ' B' ' 123' ' ' THR . 1.1 m-80 -80.17 -41.53 25.14 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.863 0.865 . . . . 73.44 110.292 -178.332 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 23.8 ptp -66.63 -46.05 77.06 Favored 'General case' 0 C--N 1.356 0.856 0 CA-C-O 119.341 -0.361 . . . . 74.5 110.146 178.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.427 ' HG3' HD13 ' B' ' 127' ' ' LEU . 12.7 pt-20 -71.74 -25.61 62.13 Favored 'General case' 0 C--O 1.211 -0.942 0 C-N-CA 122.844 0.458 . . . . 74.12 110.544 -177.444 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.5 tt -60.64 -51.27 70.11 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 109.381 -0.6 . . . . 72.0 109.381 171.105 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.0 m -64.26 -43.72 93.96 Favored 'General case' 0 CA--C 1.544 0.713 0 O-C-N 124.011 0.82 . . . . 73.22 111.101 -176.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -59.66 -57.27 13.66 Favored 'General case' 0 C--N 1.355 0.806 0 O-C-N 124.031 0.832 . . . . 72.13 109.974 176.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.497 HD22 ' HB2' ' A' ' 41' ' ' GLN . 2.1 mm? -48.62 -47.45 40.17 Favored 'General case' 0 N--CA 1.484 1.261 0 O-C-N 124.955 1.41 . . . . 74.24 111.784 179.115 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.2 tptt -58.94 -47.01 86.58 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 124.986 1.314 . . . . 72.24 110.584 -179.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 56.0 tp -64.35 -62.06 1.84 Allowed 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 115.134 -0.939 . . . . 74.21 110.046 -173.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.12 -39.46 78.75 Favored 'General case' 0 C--O 1.247 0.928 0 CA-C-N 115.25 -0.886 . . . . 75.53 111.249 179.102 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 29.0 tp -46.5 -63.07 1.1 Allowed 'General case' 0 C--O 1.247 0.965 0 C-N-CA 123.826 0.85 . . . . 73.1 111.089 -178.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -78.09 -13.33 59.91 Favored 'General case' 0 C--N 1.353 0.747 0 O-C-N 126.322 2.264 . . . . 70.31 112.397 -174.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 60.0 mtpt -76.09 -5.3 45.94 Favored 'General case' 0 N--CA 1.484 1.24 0 N-CA-C 110.034 -0.358 . . . . 71.41 110.034 163.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 81.6 62.94 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 125.607 1.563 . . . . 75.33 110.334 168.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 43.1 p -103.96 179.65 4.21 Favored 'General case' 0 N--CA 1.5 2.044 0 CA-C-N 115.158 -0.928 . . . . 74.0 113.031 -177.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.525 ' HB3' HG21 ' B' ' 138' ' ' THR . 1.1 pp0? -139.41 1.68 1.99 Allowed 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.381 1.072 . . . . 75.25 112.542 -174.297 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.47 ' HB2' ' NE2' ' A' ' 39' ' ' GLN . 77.2 ttt180 -133.71 151.2 51.57 Favored 'General case' 0 N--CA 1.481 1.08 0 O-C-N 122.115 -0.365 . . . . 75.01 110.178 178.579 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.504 HE21 ' HB2' ' B' ' 131' ' ' LYS . 10.2 pt20 -134.62 162.93 30.93 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 124.229 0.956 . . . . 74.31 109.674 177.729 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -132.62 83.03 2.04 Favored 'General case' 0 C--O 1.24 0.596 0 N-CA-C 108.133 -1.062 . . . . 75.34 108.133 177.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 17.3 mtp180 -58.94 -54.15 50.4 Favored 'General case' 0 CA--C 1.551 0.981 0 CA-C-N 114.377 -1.283 . . . . 73.23 111.429 177.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 72.0 t80 . . . . . 0 N--CA 1.486 1.357 0 C-N-CA 123.436 0.695 . . . . 73.42 109.652 174.789 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 . . . . . 0 N--CA 1.466 0.341 0 CA-C-O 121.359 0.599 . . . . 74.55 110.109 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 102' ' ' PHE . . . . . 0.534 ' HD1' HD21 ' B' ' 105' ' ' LEU . 96.7 m-85 -77.53 -2.42 35.48 Favored 'General case' 0 C--O 1.246 0.901 0 CA-C-N 114.809 -1.087 . . . . 75.04 113.691 -167.565 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.53 -36.55 74.03 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 109.578 -0.527 . . . . 75.3 109.578 173.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 104' ' ' LYS . . . . . 0.423 ' O ' ' HG2' ' B' ' 108' ' ' GLN . 0.1 OUTLIER -65.48 -37.62 87.38 Favored 'General case' 0 C--N 1.361 1.085 0 CA-C-O 118.48 -0.771 . . . . 72.31 111.24 178.095 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . 0.534 HD21 ' HD1' ' B' ' 102' ' ' PHE . 0.4 OUTLIER -60.65 -44.38 96.47 Favored 'General case' 0 C--N 1.378 1.811 0 N-CA-C 108.616 -0.883 . . . . 73.34 108.616 -177.772 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 106' ' ' TYR . . . . . 0.519 ' CD1' HD13 ' A' ' 9' ' ' ILE . 46.0 t80 -57.66 -47.92 80.94 Favored 'General case' 0 C--N 1.364 1.199 0 O-C-N 124.355 1.034 . . . . 65.42 109.653 179.327 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -66.87 -39.77 87.64 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 124.184 0.927 . . . . 72.33 112.881 -176.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 108' ' ' GLN . . . . . 0.423 ' HG2' ' O ' ' B' ' 104' ' ' LYS . 7.5 mm-40 -67.08 -53.43 31.0 Favored 'General case' 0 N--CA 1.486 1.331 0 O-C-N 123.381 0.426 . . . . 73.5 110.753 -176.252 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 13.8 mt -70.27 -38.72 75.35 Favored 'Isoleucine or valine' 0 C--N 1.352 0.714 0 O-C-N 123.73 0.644 . . . . 72.52 110.495 -175.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -70.05 -30.66 67.98 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 123.325 0.65 . . . . 73.43 110.378 179.715 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -65.32 -45.99 82.07 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 122.628 0.371 . . . . 63.24 110.011 173.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 38.4 tp10 -68.93 -33.48 73.8 Favored 'General case' 0 C--O 1.215 -0.757 0 CA-C-N 115.775 -0.648 . . . . 73.4 110.425 177.235 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -69.18 -38.24 78.58 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 124.772 1.229 . . . . 74.4 109.775 -179.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -61.3 -49.94 74.99 Favored 'General case' 0 C--N 1.352 0.715 0 C-N-CA 124.605 1.162 . . . . 73.3 109.391 172.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 14.6 ttpt -56.84 -42.8 80.32 Favored 'General case' 0 C--O 1.216 -0.663 0 O-C-N 124.327 1.017 . . . . 75.1 110.142 178.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 116' ' ' LEU . . . . . 0.491 ' HB3' ' HB3' ' A' ' 16' ' ' LEU . 92.5 mt -68.67 -35.03 76.7 Favored 'General case' 0 C--N 1.349 0.572 0 C-N-CA 124.001 0.92 . . . . 72.44 111.086 -178.505 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . 0.468 ' HD3' HD21 ' B' ' 120' ' ' LEU . 0.8 OUTLIER -68.45 -37.27 80.07 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-O 121.492 0.663 . . . . 74.55 110.727 175.942 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -77.73 -40.47 41.05 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 114.904 -1.044 . . . . 71.04 111.182 -175.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 119' ' ' GLN . . . . . 0.427 HE21 ' HB3' ' A' ' 20' ' ' LEU . 5.3 pp0? -71.02 -39.27 72.44 Favored 'General case' 0 C--O 1.219 -0.532 0 N-CA-C 109.941 -0.392 . . . . 73.24 109.941 -178.493 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 120' ' ' LEU . . . . . 0.468 HD21 ' HD3' ' B' ' 117' ' ' LYS . 1.2 pp -65.73 -38.35 88.89 Favored 'General case' 0 C--N 1.361 1.088 0 N-CA-C 109.487 -0.56 . . . . 74.54 109.487 178.796 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 4.9 t-80 -51.81 -56.46 13.8 Favored 'General case' 0 C--N 1.357 0.899 0 C-N-CA 123.506 0.722 . . . . 73.1 110.853 172.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 122' ' ' ASP . . . . . 0.497 ' O ' ' HG2' ' B' ' 126' ' ' GLU . 1.6 m-20 -60.7 -44.12 96.94 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 123.982 0.801 . . . . 74.32 111.22 -179.449 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 123' ' ' THR . . . . . 0.567 HG21 ' ND2' ' A' ' 24' ' ' ASN . 42.1 m -65.29 -29.56 70.34 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 124.005 0.922 . . . . 72.35 111.554 -178.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 124' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -78.51 -34.21 47.5 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.76 0.824 . . . . 64.21 110.85 176.15 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 125' ' ' MET . . . . . . . . . . . . . 88.4 mmm -65.65 -33.82 76.77 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 122.833 0.453 . . . . 74.53 110.383 172.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 126' ' ' GLU . . . . . 0.497 ' HG2' ' O ' ' B' ' 122' ' ' ASP . 14.2 mm-40 -70.98 -47.76 57.07 Favored 'General case' 0 C--O 1.215 -0.731 0 C-N-CA 123.046 0.538 . . . . 75.3 109.931 174.572 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 127' ' ' LEU . . . . . 0.427 HD13 ' HG3' ' A' ' 26' ' ' GLU . 65.1 tp -53.65 -43.95 69.21 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 122.647 0.379 . . . . 70.25 110.757 175.681 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 128' ' ' THR . . . . . . . . . . . . . 33.0 m -62.71 -37.27 85.86 Favored 'General case' 0 C--N 1.355 0.844 0 C-N-CA 123.714 0.806 . . . . 75.41 110.358 175.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -66.44 -47.53 72.87 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 123.908 0.883 . . . . 72.51 111.436 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 130' ' ' LEU . . . . . 0.454 HD21 ' O ' ' B' ' 126' ' ' GLU . 1.2 mm? -64.22 -47.38 79.9 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 122.929 0.492 . . . . 75.11 111.203 -179.148 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 131' ' ' LYS . . . . . 0.504 ' HB2' HE21 ' A' ' 41' ' ' GLN . 0.3 OUTLIER -68.16 -30.47 69.59 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 116.187 -0.46 . . . . 75.31 110.242 -177.923 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 55.2 tp -65.76 -40.54 92.17 Favored 'General case' 0 C--N 1.359 0.999 0 C-N-CA 123.316 0.646 . . . . 71.52 110.181 177.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 133' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -74.88 -21.27 59.33 Favored 'General case' 0 C--O 1.218 -0.589 0 CA-C-N 116.024 -0.535 . . . . 72.12 110.42 177.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 14.9 tp -69.5 -47.74 62.88 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 123.536 0.735 . . . . 74.53 110.597 178.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 135' ' ' GLU . . . . . 0.529 ' HB3' ' HD2' ' B' ' 140' ' ' ARG . 3.8 pt-20 -68.47 -28.75 67.31 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 115.088 -0.96 . . . . 75.41 110.734 175.192 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -77.41 -24.22 50.49 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.147 0.579 . . . . 75.42 112.443 170.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -68.0 -43.18 79.48 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 123.359 0.664 . . . . 73.1 110.291 -178.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 138' ' ' THR . . . . . 0.525 HG21 ' HB3' ' A' ' 39' ' ' GLN . 3.2 t -148.59 -60.73 0.24 Allowed 'General case' 0 CA--C 1.548 0.869 0 CA-C-N 115.492 -0.776 . . . . 72.34 111.531 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 139' ' ' GLN . . . . . 0.417 HE22 ' N ' ' B' ' 140' ' ' ARG . 0.6 OUTLIER -178.27 -28.9 0.01 OUTLIER 'General case' 0 C--N 1.354 0.79 0 C-N-CA 124.055 0.942 . . . . 73.44 110.066 178.623 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 140' ' ' ARG . . . . . 0.529 ' HD2' ' HB3' ' B' ' 135' ' ' GLU 0.261 0.0 OUTLIER 63.43 170.21 0.16 Allowed 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 125.111 1.364 . . . . 72.25 112.704 -177.534 . . . . . . . . 4 4 . 1 . 006 nuclear orig full ' B' B ' 141' ' ' GLN . . . . . 0.452 ' OE1' ' HA ' ' A' ' 40' ' ' ARG . 5.7 pm0 -59.33 161.44 5.59 Favored 'General case' 0 N--CA 1.487 1.375 0 C-N-CA 123.456 0.702 . . . . 71.21 112.668 -175.343 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -111.3 4.32 19.01 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.974 0.91 . . . . 73.22 110.687 -176.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 69.2 ttt180 -65.55 -60.32 3.05 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.99 0.916 . . . . 73.33 110.035 176.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 144' ' ' PHE . . . . . . . . . . . . . 58.4 t80 . . . . . 0 C--O 1.251 1.15 0 C-N-CA 124.32 1.048 . . . . 75.41 108.51 173.729 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.498 ' HA ' ' HZ2' ' A' ' 3' ' ' LYS . 13.5 m-20 . . . . . 0 N--CA 1.481 1.102 0 CA-C-O 119.139 -0.458 . . . . 74.32 111.643 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -60.02 -7.81 1.99 Allowed 'General case' 0 N--CA 1.491 1.604 0 N-CA-C 114.836 1.421 . . . . 74.24 114.836 -175.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.498 ' HZ2' ' HA ' ' A' ' 1' ' ' ASP . 0.0 OUTLIER -61.53 -35.53 78.01 Favored 'General case' 0 CA--C 1.556 1.211 0 N-CA-C 109.561 -0.533 . . . . 74.33 109.561 173.286 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.21 -27.87 60.99 Favored 'General case' 0 C--N 1.36 1.03 0 CA-C-N 115.342 -0.844 . . . . 74.22 110.599 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.428 HD23 ' HB2' ' B' ' 106' ' ' TYR . 25.4 tp -58.36 -42.39 86.81 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-O 121.353 0.597 . . . . 73.43 109.947 178.447 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -55.31 -54.3 45.25 Favored 'General case' 0 C--N 1.349 0.58 0 CA-C-N 113.568 -1.651 . . . . 75.32 109.9 172.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -58.53 -35.95 73.1 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.253 1.021 . . . . 62.35 112.823 -176.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -64.09 -62.68 1.47 Allowed 'General case' 0 N--CA 1.481 1.111 0 O-C-N 123.521 0.513 . . . . 74.24 111.326 -176.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.519 HD13 ' CD1' ' B' ' 106' ' ' TYR . 7.9 mt -62.12 -47.2 94.27 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.84 0 O-C-N 123.532 0.52 . . . . 74.04 111.104 178.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.548 ' HA ' ' HB3' ' A' ' 13' ' ' ASN . 0.7 OUTLIER -64.35 -26.2 68.37 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 124.192 0.997 . . . . 71.32 110.964 -175.901 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.11 -49.0 76.15 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 110.172 -0.307 . . . . 74.31 110.172 173.144 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.492 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 38.1 tt0 -71.35 -33.39 69.55 Favored 'General case' 0 C--O 1.205 -1.253 0 CA-C-N 115.954 -0.567 . . . . 71.4 110.231 177.572 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.548 ' HB3' ' HA ' ' A' ' 10' ' ' LEU . 24.6 t-20 -70.83 -44.29 66.81 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 124.366 1.066 . . . . 75.5 110.724 -173.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -64.37 -43.06 95.68 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.595 0.758 . . . . 72.22 109.384 173.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.0 ttpt -56.65 -43.44 80.32 Favored 'General case' 0 C--O 1.214 -0.799 0 O-C-N 124.019 0.824 . . . . 64.24 110.241 175.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.494 ' HB3' ' HB3' ' B' ' 116' ' ' LEU . 84.4 mt -66.76 -34.06 76.99 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.963 0.905 . . . . 74.35 110.901 -178.09 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.56 -37.22 84.5 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 123.561 0.744 . . . . 72.24 109.426 174.04 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.62 -55.97 6.04 Favored 'General case' 0 C--N 1.346 0.42 0 CA-C-N 115.943 -0.571 . . . . 64.43 110.34 -175.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -67.46 -30.28 69.95 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 124.342 1.057 . . . . 73.41 112.184 -175.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.13 -42.29 80.42 Favored 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 108.368 -0.975 . . . . 65.51 108.368 174.516 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.453 ' O ' ' HG2' ' A' ' 25' ' ' MET . 54.6 t-80 -59.1 -44.26 91.94 Favored 'General case' 0 C--N 1.36 1.035 0 O-C-N 124.225 0.953 . . . . 73.55 109.405 179.626 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -59.8 -51.04 71.43 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 123.941 0.776 . . . . 74.25 110.25 175.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.544 HG22 HG22 ' B' ' 123' ' ' THR . 39.5 m -61.6 -30.45 70.69 Favored 'General case' 0 C--N 1.355 0.847 0 O-C-N 124.098 0.874 . . . . 72.04 111.672 -176.338 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.479 ' ND2' HG23 ' B' ' 123' ' ' THR . 5.9 m-80 -77.45 -42.87 34.37 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.133 0.973 . . . . 74.11 110.675 177.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.453 ' HG2' ' O ' ' A' ' 21' ' ' HIS . 86.2 mmm -63.73 -38.83 92.57 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.116 0.567 . . . . 70.43 111.337 177.614 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.421 ' HA ' ' HB3' ' A' ' 29' ' ' ASP . 10.5 pt-20 -85.88 -20.09 29.59 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 123.853 0.721 . . . . 73.54 110.671 -178.062 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.449 ' HB2' ' O ' ' A' ' 23' ' ' THR . 7.3 tt -66.44 -47.95 71.53 Favored 'General case' 0 C--N 1.354 0.764 0 N-CA-C 108.816 -0.809 . . . . 74.12 108.816 168.472 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 24.6 m -73.97 -29.91 62.23 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 123.56 0.744 . . . . 73.42 110.804 -176.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.421 ' HB3' ' HA ' ' A' ' 26' ' ' GLU . 24.5 t70 -61.8 -59.81 4.59 Favored 'General case' 0 C--O 1.242 0.668 0 C-N-CA 124.06 0.944 . . . . 74.2 109.439 172.312 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.519 ' HB3' ' HB3' ' B' ' 130' ' ' LEU . 8.5 mp -56.84 -41.27 77.58 Favored 'General case' 0 C--O 1.205 -1.287 0 O-C-N 124.45 1.094 . . . . 74.12 111.292 178.456 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 38.8 tptt -53.05 -53.43 50.3 Favored 'General case' 0 C--O 1.26 1.644 0 C-N-CA 125.143 1.377 . . . . 74.43 111.437 177.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 36.2 tp -60.25 -57.99 10.44 Favored 'General case' 0 C--O 1.244 0.796 0 CA-C-N 114.291 -1.322 . . . . 75.4 110.386 -173.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -66.14 -32.8 74.47 Favored 'General case' 0 CA--C 1.55 0.945 0 CA-C-N 115.193 -0.912 . . . . 75.21 111.923 -179.003 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.453 ' HB2' ' O ' ' A' ' 30' ' ' LEU . 1.5 tm? -53.19 -61.4 2.32 Favored 'General case' 0 N--CA 1.483 1.214 0 N-CA-C 109.081 -0.711 . . . . 70.13 109.081 -175.15 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -71.04 -21.57 62.24 Favored 'General case' 0 CA--C 1.546 0.826 0 O-C-N 126.527 2.392 . . . . 73.31 112.906 -178.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 57.4 mtpt -66.0 -12.54 55.85 Favored 'General case' 0 N--CA 1.496 1.855 0 CA-C-N 118.172 0.442 . . . . 75.44 111.854 165.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 83.15 58.51 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 126.253 1.821 . . . . 71.13 109.99 174.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 89.9 m -103.59 165.3 11.12 Favored 'General case' 0 CA--C 1.552 1.045 0 CA-C-N 114.163 -1.381 . . . . 72.52 111.31 -175.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -120.87 -39.82 2.69 Favored 'General case' 0 C--N 1.359 0.987 0 C-N-CA 123.461 0.704 . . . . 64.54 112.271 -179.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 58.4 ttp180 -106.09 142.26 36.09 Favored 'General case' 0 N--CA 1.481 1.099 0 O-C-N 121.613 -0.68 . . . . 73.51 110.029 -179.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -109.89 159.76 16.96 Favored 'General case' 0 C--O 1.24 0.594 0 CA-C-N 115.27 -0.877 . . . . 73.54 109.84 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -137.7 77.59 1.64 Allowed 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 107.771 -1.196 . . . . 74.5 107.771 178.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 13.7 mtm-85 -82.03 -54.32 5.4 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 114.592 -1.185 . . . . 75.3 109.095 174.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 80.4 t80 . . . . . 0 N--CA 1.477 0.902 0 CA-C-N 115.181 -0.918 . . . . 73.22 110.052 177.746 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 29.3 t70 . . . . . 0 C--O 1.236 0.387 0 CA-C-O 121.605 0.717 . . . . 65.45 109.732 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 102' ' ' PHE . . . . . 0.416 ' HD2' HD22 ' B' ' 105' ' ' LEU . 89.7 m-85 -72.38 -6.6 44.6 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 114.23 -1.35 . . . . 73.13 113.312 -174.698 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.41 -34.69 74.31 Favored 'General case' 0 C--N 1.354 0.78 0 N-CA-C 110.131 -0.322 . . . . 74.01 110.131 177.206 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 104' ' ' LYS . . . . . 0.439 ' O ' ' HG2' ' B' ' 108' ' ' GLN . 0.0 OUTLIER -64.19 -39.37 93.86 Favored 'General case' 0 C--N 1.362 1.126 0 CA-C-O 118.261 -0.876 . . . . 74.34 110.922 176.277 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . 0.416 HD22 ' HD2' ' B' ' 102' ' ' PHE . 0.3 OUTLIER -59.28 -43.31 92.56 Favored 'General case' 0 C--N 1.374 1.633 0 N-CA-C 108.167 -1.049 . . . . 75.42 108.167 -177.861 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 106' ' ' TYR . . . . . 0.519 ' CD1' HD13 ' A' ' 9' ' ' ILE . 41.7 t80 -56.5 -56.05 26.11 Favored 'General case' 0 C--N 1.363 1.176 0 O-C-N 124.744 1.277 . . . . 74.11 109.428 177.542 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -63.49 -37.65 88.11 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.106 0.962 . . . . 72.11 113.147 -172.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 108' ' ' GLN . . . . . 0.439 ' HG2' ' O ' ' B' ' 104' ' ' LYS . 9.6 mm-40 -70.31 -55.76 8.39 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 122.355 0.262 . . . . 61.45 111.272 -176.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 28.4 mt -61.19 -38.65 80.2 Favored 'Isoleucine or valine' 0 C--N 1.363 1.172 0 O-C-N 123.613 0.571 . . . . 75.31 110.125 178.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 110' ' ' LEU . . . . . 0.469 ' HA ' ' HB3' ' B' ' 113' ' ' ASN . 2.1 tm? -71.82 -31.18 66.28 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 123.985 0.914 . . . . 74.52 110.612 -178.394 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -62.33 -46.37 89.03 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 110.079 -0.341 . . . . 74.53 110.079 174.114 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 112' ' ' GLU . . . . . 0.42 ' O ' ' HG ' ' B' ' 116' ' ' LEU . 3.1 tp10 -66.99 -42.37 85.18 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-N 115.63 -0.714 . . . . 75.45 110.513 176.554 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 113' ' ' ASN . . . . . 0.469 ' HB3' ' HA ' ' B' ' 110' ' ' LEU . 26.0 t-20 -63.09 -45.77 90.52 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 125.328 1.451 . . . . 65.45 111.302 -176.014 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -55.19 -49.39 72.05 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.934 1.293 . . . . 73.43 110.304 171.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 17.4 ttpt -62.17 -36.87 83.2 Favored 'General case' 0 C--N 1.349 0.558 0 CA-C-N 115.16 -0.927 . . . . 74.34 110.454 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 116' ' ' LEU . . . . . 0.494 ' HB3' ' HB3' ' A' ' 16' ' ' LEU . 81.4 mt -71.85 -24.11 61.64 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 123.678 0.611 . . . . 74.14 111.241 -176.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . 0.664 ' HA ' HD21 ' B' ' 120' ' ' LEU . 45.6 mtmt -82.06 -29.44 31.87 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 122.612 0.365 . . . . 73.21 111.276 173.23 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -72.53 -45.27 60.1 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.178 0.591 . . . . 62.3 110.504 177.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 119' ' ' GLN . . . . . 0.4 ' HG3' ' HA ' ' B' ' 116' ' ' LEU . 5.1 pp0? -73.56 -37.55 65.49 Favored 'General case' 0 C--N 1.345 0.406 0 CA-C-N 115.471 -0.786 . . . . 72.51 110.915 -177.668 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 120' ' ' LEU . . . . . 0.664 HD21 ' HA ' ' B' ' 117' ' ' LYS . 0.4 OUTLIER -63.1 -40.45 97.68 Favored 'General case' 0 C--N 1.369 1.451 0 N-CA-C 108.883 -0.784 . . . . 75.53 108.883 177.624 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 121' ' ' HIS . . . . . 0.487 ' O ' ' HG2' ' B' ' 125' ' ' MET . 33.4 t-80 -58.09 -45.48 87.12 Favored 'General case' 0 C--N 1.358 0.963 0 O-C-N 124.207 0.942 . . . . 73.0 110.034 178.305 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -60.18 -48.67 80.76 Favored 'General case' 0 CA--C 1.548 0.873 0 O-C-N 124.352 1.033 . . . . 75.41 110.884 177.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 123' ' ' THR . . . . . 0.544 HG22 HG22 ' A' ' 23' ' ' THR . 8.0 m -66.45 -29.56 69.72 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 124.385 1.074 . . . . 60.43 111.089 -178.625 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 124' ' ' ASN . . . . . 0.515 ' ND2' HG23 ' A' ' 23' ' ' THR . 1.0 OUTLIER -74.33 -35.4 63.62 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.303 0.641 . . . . 72.32 110.545 177.42 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 125' ' ' MET . . . . . 0.487 ' HG2' ' O ' ' B' ' 121' ' ' HIS . 93.3 mmm -64.36 -37.74 88.58 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 122.789 0.435 . . . . 64.02 110.704 174.25 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -66.37 -44.5 82.97 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 116.003 -0.544 . . . . 71.14 110.322 175.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 46.3 tp -60.23 -38.99 85.11 Favored 'General case' 0 CA--C 1.555 1.167 0 C-N-CA 123.614 0.765 . . . . 75.12 110.703 177.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 128' ' ' THR . . . . . . . . . . . . . 91.2 m -63.41 -37.81 88.71 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 124.253 1.021 . . . . 74.42 110.519 175.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 129' ' ' ASP . . . . . 0.42 ' O ' ' HG3' ' B' ' 133' ' ' GLN . 9.1 t70 -63.71 -45.06 91.69 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.649 0.78 . . . . 74.31 110.89 177.397 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 130' ' ' LEU . . . . . 0.519 ' HB3' ' HB3' ' A' ' 30' ' ' LEU . 1.5 mm? -63.69 -45.89 87.98 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 111.807 0.299 . . . . 63.23 111.807 -177.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.8 -30.79 70.3 Favored 'General case' 0 N--CA 1.483 1.177 0 O-C-N 123.351 0.407 . . . . 73.01 110.264 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 51.5 tp -72.09 -38.28 69.41 Favored 'General case' 0 C--N 1.357 0.911 0 C-N-CA 123.082 0.553 . . . . 75.45 110.187 178.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 133' ' ' GLN . . . . . 0.42 ' HG3' ' O ' ' B' ' 129' ' ' ASP . 40.0 mt-30 -74.71 -21.55 59.32 Favored 'General case' 0 C--O 1.215 -0.756 0 N-CA-C 110.223 -0.288 . . . . 75.31 110.223 175.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 12.2 tp -68.36 -45.12 73.65 Favored 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 124.475 1.11 . . . . 73.32 109.056 -178.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 135' ' ' GLU . . . . . 0.63 ' HB3' ' HD2' ' B' ' 140' ' ' ARG . 6.4 pt-20 -74.79 -30.28 61.38 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 114.3 -1.318 . . . . 71.22 111.762 175.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 136' ' ' LYS . . . . . 0.549 ' HZ2' ' HB3' ' B' ' 136' ' ' LYS . 8.8 mtpm? -80.57 -16.06 55.12 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 122.473 0.309 . . . . 74.55 111.581 174.217 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -74.65 -45.65 43.26 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 109.61 -0.515 . . . . 74.54 109.61 174.08 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 138' ' ' THR . . . . . 0.416 HG21 ' H ' ' B' ' 139' ' ' GLN . 1.4 t -143.86 -69.18 0.32 Allowed 'General case' 0 CA--C 1.556 1.21 0 CA-C-N 115.546 -0.752 . . . . 75.14 111.191 179.652 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 139' ' ' GLN . . . . . 0.416 ' H ' HG21 ' B' ' 138' ' ' THR . 0.4 OUTLIER -173.77 -22.26 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.787 0.835 . . . . 75.44 110.927 -178.53 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 140' ' ' ARG . . . . . 0.63 ' HD2' ' HB3' ' B' ' 135' ' ' GLU 0.256 0.0 OUTLIER 69.04 165.89 0.26 Allowed 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 125.704 1.601 . . . . 75.54 112.238 177.36 . . . . . . . . 4 4 . 1 . 007 nuclear orig full ' B' B ' 141' ' ' GLN . . . . . 0.476 ' NE2' ' HG2' ' B' ' 140' ' ' ARG . 0.6 OUTLIER -66.55 147.47 53.23 Favored 'General case' 0 C--N 1.36 1.032 0 CA-C-O 121.219 0.533 . . . . 73.43 111.247 -175.467 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -102.35 18.59 20.65 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.332 1.053 . . . . 61.41 109.907 -171.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 7.0 ttp180 -51.81 -55.76 17.99 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.043 1.337 . . . . 64.51 110.883 172.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 144' ' ' PHE . . . . . . . . . . . . . 74.5 t80 . . . . . 0 CA--C 1.546 0.798 0 N-CA-C 107.234 -1.395 . . . . 74.02 107.234 171.338 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 . . . . . 0 N--CA 1.474 0.772 0 N-CA-C 110.614 -0.143 . . . . 74.51 110.614 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.459 ' HD2' HD23 ' A' ' 5' ' ' LEU . 51.4 m-85 -64.71 -6.72 8.5 Favored 'General case' 0 N--CA 1.485 1.318 0 N-CA-C 113.91 1.078 . . . . 74.43 113.91 177.317 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.527 ' HD3' ' H ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -67.39 -35.22 78.88 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 122.391 0.276 . . . . 72.41 110.309 176.363 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.527 ' H ' ' HD3' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -78.97 -24.94 43.5 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-O 118.966 -0.54 . . . . 72.52 110.363 177.155 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.459 HD23 ' HD2' ' A' ' 2' ' ' PHE . 17.7 tp -58.31 -46.89 85.3 Favored 'General case' 0 N--CA 1.485 1.286 0 CA-C-O 121.472 0.653 . . . . 71.15 109.518 174.793 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -55.79 -53.57 55.01 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-N 113.657 -1.61 . . . . 74.33 109.922 172.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -58.8 -36.34 74.32 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 113.231 0.826 . . . . 71.55 113.231 -176.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.443 ' HG2' ' O ' ' A' ' 4' ' ' LYS . 8.4 mm-40 -63.65 -66.35 0.55 Allowed 'General case' 0 N--CA 1.482 1.137 0 O-C-N 123.333 0.395 . . . . 71.45 111.412 -177.801 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.541 HD11 ' HB2' ' B' ' 110' ' ' LEU . 16.2 mt -59.37 -42.1 86.43 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.061 0 O-C-N 123.246 0.341 . . . . 73.35 111.109 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.53 ' HA ' ' HB3' ' A' ' 13' ' ' ASN . 0.9 OUTLIER -67.51 -26.91 66.57 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 124.039 0.936 . . . . 73.42 111.191 -176.044 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.29 -47.43 70.63 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-O 120.61 0.243 . . . . 64.35 110.849 175.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.449 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 34.7 tt0 -69.91 -36.16 75.15 Favored 'General case' 0 C--O 1.21 -0.977 0 CA-C-N 115.748 -0.66 . . . . 72.01 109.972 176.687 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.53 ' HB3' ' HA ' ' A' ' 10' ' ' LEU . 20.3 t-20 -63.33 -41.1 98.86 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 124.979 1.312 . . . . 72.02 110.321 -179.284 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -61.07 -48.78 80.12 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 115.042 -0.981 . . . . 72.55 109.617 173.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.4 ttpt -60.33 -41.66 94.03 Favored 'General case' 0 C--O 1.215 -0.761 0 CA-C-N 114.9 -1.046 . . . . 75.22 110.578 -179.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' A' ' 12' ' ' GLU . 98.3 mt -67.34 -32.92 74.19 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.067 0.947 . . . . 74.44 110.396 -177.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.9 -33.97 74.64 Favored 'General case' 0 CA--C 1.552 1.052 0 C-N-CA 124.301 1.04 . . . . 75.05 109.703 174.562 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.36 -55.91 5.23 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 116.085 -0.507 . . . . 72.52 110.881 -177.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -63.33 -31.28 72.39 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.572 0.749 . . . . 74.44 111.955 -179.279 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.84 -43.58 88.09 Favored 'General case' 0 N--CA 1.483 1.18 0 N-CA-C 109.562 -0.533 . . . . 72.51 109.562 173.213 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 81.3 t60 -55.94 -46.64 78.45 Favored 'General case' 0 C--N 1.363 1.194 0 O-C-N 123.671 0.607 . . . . 71.1 109.476 178.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -59.69 -47.02 87.28 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.448 -0.797 . . . . 74.32 110.992 177.029 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.546 HG21 HG23 ' B' ' 123' ' ' THR . 17.2 m -70.64 -25.75 63.15 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 122.921 0.488 . . . . 74.24 111.619 -176.078 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.535 ' ND2' HG21 ' B' ' 123' ' ' THR . 1.2 m-80 -78.7 -39.24 37.12 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 122.911 0.484 . . . . 73.11 109.944 176.655 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 79.3 mmm -66.48 -44.24 83.23 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.372 0.669 . . . . 74.35 111.4 177.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.487 ' HG2' ' HA ' ' A' ' 23' ' ' THR . 13.2 pt-20 -76.15 -21.61 56.37 Favored 'General case' 0 C--O 1.204 -1.32 0 CA-C-O 118.941 -0.552 . . . . 75.14 110.381 178.69 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.8 tt -68.13 -47.98 66.65 Favored 'General case' 0 N--CA 1.485 1.293 0 N-CA-C 109.075 -0.713 . . . . 74.35 109.075 169.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 86.5 m -59.11 -42.0 89.52 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.125 0.97 . . . . 63.04 109.94 179.016 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -71.11 -42.04 69.78 Favored 'General case' 0 C--O 1.221 -0.439 0 CA-C-N 115.139 -0.937 . . . . 72.33 110.253 178.204 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.559 ' HA ' HE22 ' A' ' 33' ' ' GLN . 0.6 OUTLIER -62.92 -43.08 99.78 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.109 0.564 . . . . 74.44 110.891 -175.361 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.523 ' HZ3' ' HB2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -73.36 -39.75 64.92 Favored 'General case' 0 C--O 1.244 0.771 0 O-C-N 123.581 0.551 . . . . 72.51 110.896 -179.104 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.416 ' N ' ' HD3' ' A' ' 31' ' ' LYS . 52.1 tp -63.48 -54.11 41.59 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.316 0.646 . . . . 73.43 110.101 -178.539 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.559 HE22 ' HA ' ' A' ' 30' ' ' LEU . 26.9 pt20 -61.8 -44.64 96.47 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 115.796 -0.638 . . . . 75.44 110.244 -179.138 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 13.8 tp -42.0 -67.74 0.24 Allowed 'General case' 0 C--O 1.248 1.006 0 C-N-CA 125.288 1.435 . . . . 73.12 110.841 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -68.37 -26.52 65.62 Favored 'General case' 0 C--N 1.355 0.821 0 O-C-N 126.12 2.137 . . . . 71.34 112.565 -173.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.467 ' HZ2' ' HB3' ' A' ' 36' ' ' LYS . 9.8 mtpm? -70.09 -11.43 60.88 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 123.043 0.537 . . . . 73.02 111.176 170.75 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 81.54 41.68 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 126.562 1.945 . . . . 74.33 108.452 176.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 97.7 m -117.16 146.82 42.96 Favored 'General case' 0 N--CA 1.486 1.329 0 CA-C-N 113.498 -1.683 . . . . 73.31 110.545 -167.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.44 ' HG3' ' N ' ' A' ' 40' ' ' ARG . 8.3 pt20 -108.25 -49.93 3.12 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.834 0.853 . . . . 64.21 112.427 -172.8 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.44 ' N ' ' HG3' ' A' ' 39' ' ' GLN . 41.7 ttm180 -83.42 141.86 31.4 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.058 0.543 . . . . 65.1 110.439 -172.364 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.519 ' HB3' HE21 ' A' ' 33' ' ' GLN . 6.0 pt20 -135.19 162.29 32.96 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 124.554 1.142 . . . . 75.21 111.497 -161.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.31 -11.46 49.43 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-N 115.643 -0.708 . . . . 74.34 110.852 -177.33 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.565 ' HE ' ' HB2' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -38.16 -51.25 1.44 Allowed 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 126.981 2.112 . . . . 75.53 111.164 172.292 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.565 ' HB2' ' HE ' ' A' ' 43' ' ' ARG . 13.2 t80 . . . . . 0 N--CA 1.472 0.625 0 CA-C-N 115.113 -0.949 . . . . 74.13 109.196 174.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 . . . . . 0 CA--C 1.531 0.221 0 CA-C-O 121.683 0.754 . . . . 70.21 109.849 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 102' ' ' PHE . . . . . 0.42 ' O ' ' HG ' ' B' ' 105' ' ' LEU . 85.8 m-85 -98.89 -4.35 33.15 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 114.436 -1.256 . . . . 74.14 110.3 177.119 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 103' ' ' LYS . . . . . 0.455 ' O ' ' HG2' ' B' ' 107' ' ' GLU . 0.0 OUTLIER -59.78 -33.44 71.71 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 109.331 -0.618 . . . . 65.14 109.331 176.15 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 104' ' ' LYS . . . . . 0.434 ' O ' ' HG2' ' B' ' 108' ' ' GLN . 0.0 OUTLIER -70.02 -35.73 74.56 Favored 'General case' 0 C--O 1.217 -0.637 0 CA-C-N 114.796 -1.093 . . . . 72.41 110.755 179.231 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' B' ' 102' ' ' PHE . 0.5 OUTLIER -61.07 -41.73 97.19 Favored 'General case' 0 C--N 1.371 1.525 0 N-CA-C 108.403 -0.962 . . . . 74.42 108.403 178.252 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 106' ' ' TYR . . . . . 0.48 ' CD1' HD13 ' A' ' 9' ' ' ILE . 36.0 t80 -57.56 -46.54 83.81 Favored 'General case' 0 C--N 1.355 0.819 0 O-C-N 124.447 1.092 . . . . 75.12 110.37 177.05 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 107' ' ' GLU . . . . . 0.455 ' HG2' ' O ' ' B' ' 103' ' ' LYS . 17.4 mm-40 -65.91 -42.98 89.47 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 115.581 -0.736 . . . . 74.24 112.14 -178.571 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 108' ' ' GLN . . . . . 0.434 ' HG2' ' O ' ' B' ' 104' ' ' LYS . 6.8 mm-40 -65.99 -52.81 46.08 Favored 'General case' 0 N--CA 1.48 1.026 0 O-C-N 123.294 0.371 . . . . 64.41 111.275 -174.768 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 11.5 mt -71.08 -38.18 70.39 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 CA-C-N 116.391 -0.368 . . . . 71.23 111.04 -175.281 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 110' ' ' LEU . . . . . 0.541 ' HB2' HD11 ' A' ' 9' ' ' ILE . 17.5 tp -76.48 -25.23 54.08 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 122.459 0.304 . . . . 75.34 111.424 -178.703 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -63.91 -44.0 94.27 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 109.373 -0.602 . . . . 72.41 109.373 167.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -67.37 -38.95 85.58 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 115.179 -0.919 . . . . 74.22 110.364 177.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -66.86 -37.07 83.75 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 124.824 1.25 . . . . 70.11 110.284 -177.101 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -59.77 -53.81 53.64 Favored 'General case' 0 C--N 1.353 0.743 0 CA-C-N 114.907 -1.042 . . . . 72.45 110.03 171.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 20.8 ttpt -56.31 -42.84 78.25 Favored 'General case' 0 C--N 1.35 0.606 0 CA-C-N 115.605 -0.725 . . . . 74.11 110.13 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 116' ' ' LEU . . . . . 0.418 ' HB3' ' HB3' ' A' ' 16' ' ' LEU . 84.4 mt -65.02 -30.09 71.05 Favored 'General case' 0 C--N 1.349 0.57 0 CA-C-N 115.103 -0.953 . . . . 73.32 111.377 -178.827 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.4 -40.99 73.59 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 123.387 0.675 . . . . 74.4 110.344 178.637 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -76.47 -46.08 28.38 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 115.591 -0.731 . . . . 73.44 111.637 -177.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -65.38 -35.7 81.76 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.116 0.566 . . . . 72.23 110.846 -178.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.75 -46.42 75.45 Favored 'General case' 0 C--N 1.36 1.045 0 N-CA-C 109.255 -0.646 . . . . 73.43 109.255 177.25 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 57.9 t-80 -62.98 -34.47 77.6 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-O 121.21 0.529 . . . . 72.13 110.844 -179.163 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 122' ' ' ASP . . . . . 0.48 ' O ' ' HG2' ' B' ' 126' ' ' GLU . 23.3 t70 -65.85 -50.16 65.58 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 114.565 -1.198 . . . . 73.0 109.907 176.314 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 123' ' ' THR . . . . . 0.546 HG23 HG21 ' A' ' 23' ' ' THR . 24.3 m -69.58 -26.42 64.46 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 123.375 0.67 . . . . 73.52 110.995 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 124' ' ' ASN . . . . . 0.461 ' ND2' HG22 ' A' ' 23' ' ' THR . 0.9 OUTLIER -74.14 -36.17 64.14 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.569 0.748 . . . . 73.52 110.059 178.509 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 125' ' ' MET . . . . . . . . . . . . . 24.7 ptt? -81.06 -24.7 37.64 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 122.079 0.151 . . . . 72.32 110.658 179.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 126' ' ' GLU . . . . . 0.48 ' HG2' ' O ' ' B' ' 122' ' ' ASP . 19.5 mm-40 -69.02 -41.8 77.23 Favored 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 109.22 -0.659 . . . . 62.05 109.22 170.323 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 127' ' ' LEU . . . . . 0.416 HD11 ' HG3' ' A' ' 26' ' ' GLU . 57.9 tp -59.17 -43.45 92.15 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 114.92 -1.036 . . . . 70.13 110.577 173.065 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 128' ' ' THR . . . . . . . . . . . . . 91.4 m -63.9 -37.79 88.7 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.899 0.879 . . . . 75.33 110.694 177.086 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -63.26 -42.87 99.22 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.644 1.178 . . . . 61.24 110.459 177.233 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 130' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' B' ' 126' ' ' GLU . 96.8 mt -75.06 -36.39 61.81 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 115.517 -0.765 . . . . 55.43 111.837 -175.412 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.55 -27.32 55.87 Favored 'General case' 0 N--CA 1.487 1.412 0 CA-C-N 117.857 0.299 . . . . 72.22 111.175 179.538 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 58.1 tp -63.98 -49.26 73.19 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 108.962 -0.755 . . . . 73.53 108.962 170.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 133' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -65.12 -30.6 71.55 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-N 115.314 -0.857 . . . . 74.11 111.003 175.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 19.5 tp -60.59 -49.96 75.45 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 124.124 0.969 . . . . 74.23 110.153 -176.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 135' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -70.14 -29.54 66.49 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 114.345 -1.298 . . . . 73.13 111.389 177.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 58.9 mtpt -72.27 -30.74 65.13 Favored 'General case' 0 N--CA 1.484 1.226 0 N-CA-C 112.602 0.593 . . . . 72.03 112.602 174.224 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -79.44 -65.96 0.93 Allowed 'General case' 0 N--CA 1.481 1.099 0 CA-C-O 121.143 0.497 . . . . 63.44 110.034 -176.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 138' ' ' THR . . . . . 0.427 HG23 ' H ' ' B' ' 139' ' ' GLN . 0.0 OUTLIER -95.1 -80.56 0.41 Allowed 'General case' 0 CA--C 1.551 1.003 0 CA-C-N 115.296 -0.866 . . . . 73.32 109.214 176.898 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 139' ' ' GLN . . . . . 0.427 ' H ' HG23 ' B' ' 138' ' ' THR . 0.7 OUTLIER 179.59 -26.41 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 125.134 1.374 . . . . 74.33 110.179 179.473 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 140' ' ' ARG . . . . . . . . . . . . . 23.2 ttt180 70.31 135.42 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.76 0 C-N-CA 125.114 1.366 . . . . 73.31 110.923 179.208 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 5.7 pm0 -72.87 153.06 41.2 Favored 'General case' 0 N--CA 1.486 1.354 0 N-CA-C 109.762 -0.458 . . . . 72.43 109.762 175.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.66 80.65 1.34 Allowed 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.202 1.001 . . . . 74.22 110.191 -174.559 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 67.1 mtp180 -59.68 -47.45 85.57 Favored 'General case' 0 CA--C 1.549 0.924 0 CA-C-N 114.37 -1.286 . . . . 74.53 110.591 177.073 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 144' ' ' PHE . . . . . . . . . . . . . 64.5 t80 . . . . . 0 CA--C 1.552 1.051 0 C-N-CA 124.481 1.112 . . . . 73.41 108.219 172.842 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 20.9 p-10 . . . . . 0 N--CA 1.48 1.048 0 CA-C-O 120.783 0.325 . . . . 75.22 111.342 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -66.81 -13.35 61.41 Favored 'General case' 0 N--CA 1.484 1.226 0 N-CA-C 114.356 1.243 . . . . 65.4 114.356 -174.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.422 ' HD3' ' H ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -65.99 -36.97 84.74 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-O 121.275 0.56 . . . . 74.2 109.719 177.069 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.424 ' O ' ' HG2' ' A' ' 8' ' ' GLN . 0.1 OUTLIER -83.95 -27.59 28.4 Favored 'General case' 0 C--O 1.211 -0.95 0 CA-C-N 115.126 -0.943 . . . . 74.43 109.082 -178.121 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 19.4 tp -56.03 -46.14 78.95 Favored 'General case' 0 N--CA 1.488 1.446 0 CA-C-O 121.649 0.738 . . . . 71.12 109.794 176.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 22.4 t80 -56.26 -51.34 68.51 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 113.484 -1.689 . . . . 75.52 110.051 172.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -58.71 -36.44 74.27 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.216 1.007 . . . . 75.41 112.858 -178.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.424 ' HG2' ' O ' ' A' ' 4' ' ' LYS . 11.8 mm-40 -65.75 -63.91 0.98 Allowed 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 122.803 0.441 . . . . 63.41 111.593 -175.38 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.4 HD13 ' CD2' ' B' ' 106' ' ' TYR . 19.8 mt -63.44 -40.5 89.27 Favored 'Isoleucine or valine' 0 C--N 1.362 1.111 0 O-C-N 123.208 0.318 . . . . 72.51 110.95 179.72 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.16 -29.9 69.73 Favored 'General case' 0 N--CA 1.496 1.838 0 C-N-CA 123.078 0.551 . . . . 74.11 110.623 -177.021 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.78 -48.82 80.09 Favored 'General case' 0 N--CA 1.482 1.139 0 N-CA-C 109.194 -0.669 . . . . 75.33 109.194 174.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.52 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 5.0 tp10 -65.52 -39.94 92.39 Favored 'General case' 0 CA--C 1.55 0.972 0 CA-C-N 114.691 -1.14 . . . . 74.2 110.975 175.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -68.9 -41.05 78.76 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 124.487 1.115 . . . . 74.21 110.605 -171.055 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -75.3 -30.34 60.33 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 114.916 -1.038 . . . . 75.11 109.17 178.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.9 ttpt -63.54 -41.71 98.45 Favored 'General case' 0 C--N 1.362 1.113 0 N-CA-C 108.485 -0.931 . . . . 74.52 108.485 174.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.52 ' HG ' ' O ' ' A' ' 12' ' ' GLU . 95.0 mt -67.16 -30.64 70.66 Favored 'General case' 0 C--N 1.362 1.113 0 C-N-CA 124.213 1.005 . . . . 74.13 111.009 179.71 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.406 ' HD3' HD22 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -67.38 -38.54 84.9 Favored 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 123.45 0.7 . . . . 74.01 110.43 173.558 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.41 -46.46 40.06 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 115.351 -0.841 . . . . 72.02 111.551 -175.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -74.28 -28.16 61.07 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.76 0.824 . . . . 74.33 112.1 -179.107 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.406 HD22 ' HD3' ' A' ' 17' ' ' LYS . 1.1 pp -66.22 -44.96 82.31 Favored 'General case' 0 N--CA 1.484 1.263 0 N-CA-C 108.292 -1.003 . . . . 63.43 108.292 173.556 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -60.51 -42.14 95.79 Favored 'General case' 0 C--N 1.352 0.686 0 O-C-N 123.817 0.698 . . . . 71.34 110.45 -179.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -59.16 -53.37 59.05 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.886 0.874 . . . . 73.01 110.502 176.476 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.522 HG22 ' ND2' ' B' ' 124' ' ' ASN . 24.8 m -69.59 -30.39 68.15 Favored 'General case' 0 CA--C 1.55 0.947 0 O-C-N 123.969 0.793 . . . . 74.33 111.403 -175.625 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.442 ' ND2' HG22 ' B' ' 123' ' ' THR . 1.1 m-80 -70.27 -51.51 29.98 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.002 0.521 . . . . 73.42 109.767 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.463 ' HA ' ' HE2' ' A' ' 25' ' ' MET . 25.8 mmt -70.11 -40.97 74.59 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 115.817 -0.629 . . . . 71.51 112.144 -175.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.446 ' HG2' ' HA ' ' A' ' 23' ' ' THR . 1.5 pt-20 -66.6 -35.21 79.66 Favored 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 110.184 -0.302 . . . . 73.55 110.184 178.435 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.746 HD13 ' HB2' ' B' ' 126' ' ' GLU . 8.5 tt -60.8 -47.76 84.88 Favored 'General case' 0 C--N 1.362 1.118 0 O-C-N 123.972 0.795 . . . . 74.01 109.634 172.629 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 81.1 m -55.68 -47.41 76.79 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 123.994 0.918 . . . . 75.32 111.017 -177.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -61.79 -49.18 77.36 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 124.305 1.042 . . . . 74.3 110.833 176.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.692 ' HA ' HE22 ' A' ' 33' ' ' GLN . 16.9 tp -70.13 -36.2 74.63 Favored 'General case' 0 CA--C 1.555 1.149 0 CA-C-N 114.724 -1.125 . . . . 74.45 110.828 -170.217 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.66 ' HZ1' ' HB2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -79.9 -29.89 39.99 Favored 'General case' 0 N--CA 1.494 1.736 0 C-N-CA 123.202 0.601 . . . . 74.4 111.134 -179.05 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.3 tp -56.53 -63.03 1.33 Allowed 'General case' 0 C--N 1.347 0.489 0 O-C-N 124.258 0.973 . . . . 72.33 109.305 175.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.692 HE22 ' HA ' ' A' ' 30' ' ' LEU . 27.5 pt20 -64.36 -32.23 73.76 Favored 'General case' 0 CA--C 1.55 0.974 0 CA-C-N 115.55 -0.75 . . . . 72.21 111.55 -178.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.426 HD13 ' HB2' ' B' ' 133' ' ' GLN . 0.1 OUTLIER -47.52 -69.66 0.12 Allowed 'General case' 0 N--CA 1.494 1.765 0 C-N-CA 124.086 0.954 . . . . 74.32 109.695 178.154 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.65 -17.38 59.19 Favored 'General case' 0 C--N 1.356 0.862 0 O-C-N 125.953 2.033 . . . . 75.35 112.716 -171.378 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.508 ' HB3' ' HZ1' ' A' ' 36' ' ' LYS . 8.8 mtpm? -68.88 -13.51 62.47 Favored 'General case' 0 N--CA 1.491 1.619 0 C-N-CA 122.579 0.352 . . . . 63.53 110.383 163.027 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 82.01 63.74 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 126.228 1.811 . . . . 72.33 108.511 171.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.645 HG21 ' HB ' ' B' ' 138' ' ' THR . 13.1 t -55.67 150.36 12.64 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-N 112.623 -2.08 . . . . 74.31 113.632 -171.541 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.53 -12.46 12.9 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 114.148 -1.387 . . . . 73.33 110.589 178.376 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.467 ' HG3' ' HG2' ' B' ' 140' ' ' ARG . 55.8 ttt-85 -175.92 139.02 0.37 Allowed 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.787 1.235 . . . . 75.3 108.694 -177.513 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.408 ' HG2' ' N ' ' A' ' 42' ' ' GLU . 16.3 pm0 -116.19 -53.22 2.56 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 108.236 -1.024 . . . . 70.24 108.236 169.772 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.408 ' N ' ' HG2' ' A' ' 41' ' ' GLN . 20.0 tt0 42.46 44.17 3.39 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 126.241 1.816 . . . . 74.25 112.301 177.677 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 76.7 mtm180 -63.84 -43.58 95.75 Favored 'General case' 0 N--CA 1.481 1.12 0 CA-C-N 115.519 -0.764 . . . . 75.05 110.239 -175.038 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 70.2 t80 . . . . . 0 N--CA 1.482 1.134 0 CA-C-N 115.447 -0.797 . . . . 73.21 109.305 169.294 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 . . . . . 0 N--CA 1.472 0.662 0 N-CA-C 111.662 0.245 . . . . 73.22 111.662 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 102' ' ' PHE . . . . . 0.469 ' HD2' HD21 ' B' ' 105' ' ' LEU . 88.6 m-85 -72.94 -2.92 22.82 Favored 'General case' 0 N--CA 1.485 1.316 0 N-CA-C 113.489 0.922 . . . . 73.12 113.489 -176.523 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 103' ' ' LYS . . . . . 0.426 ' HD3' ' N ' ' B' ' 104' ' ' LYS . 0.0 OUTLIER -60.33 -32.12 70.94 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-O 121.379 0.609 . . . . 72.01 109.807 176.551 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 104' ' ' LYS . . . . . 0.432 ' O ' ' HG2' ' B' ' 108' ' ' GLN . 0.0 OUTLIER -71.86 -36.21 70.07 Favored 'General case' 0 C--O 1.214 -0.795 0 CA-C-N 114.583 -1.19 . . . . 63.41 110.611 179.764 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . 0.469 HD21 ' HD2' ' B' ' 102' ' ' PHE . 0.4 OUTLIER -60.34 -43.52 96.37 Favored 'General case' 0 C--N 1.375 1.691 0 N-CA-C 107.873 -1.158 . . . . 73.13 107.873 179.87 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 106' ' ' TYR . . . . . 0.4 ' CD2' HD13 ' A' ' 9' ' ' ILE . 29.6 t80 -57.5 -47.58 81.54 Favored 'General case' 0 C--N 1.358 0.943 0 CA-C-N 114.757 -1.11 . . . . 72.02 109.836 176.728 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 107' ' ' GLU . . . . . 0.407 ' HG2' ' O ' ' B' ' 103' ' ' LYS . 52.6 mm-40 -64.28 -42.87 96.21 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.814 0.845 . . . . 71.54 113.039 -178.184 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 108' ' ' GLN . . . . . 0.432 ' HG2' ' O ' ' B' ' 104' ' ' LYS . 11.5 mm-40 -69.15 -52.3 29.51 Favored 'General case' 0 N--CA 1.484 1.227 0 O-C-N 123.209 0.318 . . . . 74.1 110.788 -172.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 23.6 mt -67.55 -35.01 71.79 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.012 0 O-C-N 123.666 0.604 . . . . 75.34 110.501 -177.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -73.26 -32.63 64.81 Favored 'General case' 0 N--CA 1.491 1.623 0 C-N-CA 123.266 0.626 . . . . 75.43 110.384 178.082 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.69 -46.07 83.91 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 122.647 0.379 . . . . 74.35 110.199 174.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 39.8 tp10 -66.38 -36.23 82.34 Favored 'General case' 0 C--O 1.21 -0.999 0 CA-C-N 115.568 -0.742 . . . . 75.45 110.223 175.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -61.48 -42.22 98.46 Favored 'General case' 0 N--CA 1.495 1.782 0 C-N-CA 124.574 1.15 . . . . 73.24 111.002 178.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -68.36 -46.01 71.24 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.791 0.836 . . . . 71.44 110.386 176.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 8.4 ttpt -56.87 -40.72 76.69 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-N 115.628 -0.714 . . . . 72.2 110.369 176.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 83.1 mt -69.05 -34.99 76.08 Favored 'General case' 0 C--N 1.35 0.617 0 CA-C-N 114.906 -1.043 . . . . 71.31 110.63 178.18 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.35 -37.54 87.36 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.333 0.653 . . . . 73.24 110.014 178.685 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -76.08 -44.9 36.71 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.183 0.993 . . . . 75.31 111.199 -176.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -69.28 -39.26 78.45 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.16 0.584 . . . . 74.32 111.199 -177.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 1.6 pp -69.52 -39.54 77.46 Favored 'General case' 0 C--N 1.358 0.973 0 N-CA-C 108.823 -0.806 . . . . 72.34 108.823 179.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 121' ' ' HIS . . . . . 0.529 ' O ' ' HG2' ' B' ' 125' ' ' MET . 15.1 t-80 -55.55 -48.24 75.07 Favored 'General case' 0 C--N 1.357 0.892 0 O-C-N 124.226 0.954 . . . . 74.14 109.731 176.023 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 122' ' ' ASP . . . . . 0.464 ' O ' ' HG3' ' B' ' 126' ' ' GLU . 22.2 t70 -57.16 -49.69 75.17 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 124.238 0.961 . . . . 75.13 110.343 177.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 123' ' ' THR . . . . . 0.456 HG21 HG21 ' A' ' 23' ' ' THR . 13.9 m -60.92 -36.53 79.54 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.52 0.728 . . . . 73.33 111.356 -179.545 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 124' ' ' ASN . . . . . 0.522 ' ND2' HG22 ' A' ' 23' ' ' THR . 0.9 OUTLIER -72.26 -35.07 68.67 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 122.961 0.504 . . . . 70.24 109.994 -179.54 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 125' ' ' MET . . . . . 0.529 ' HG2' ' O ' ' B' ' 121' ' ' HIS . 92.4 mmm -62.92 -45.58 91.85 Favored 'General case' 0 C--N 1.359 0.998 0 C-N-CA 123.048 0.539 . . . . 74.41 110.573 176.131 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 126' ' ' GLU . . . . . 0.746 ' HB2' HD13 ' A' ' 27' ' ' LEU . 9.6 mt-10 -62.67 -43.86 97.72 Favored 'General case' 0 N--CA 1.483 1.191 0 N-CA-C 108.708 -0.849 . . . . 74.33 108.708 178.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 127' ' ' LEU . . . . . 0.479 HD21 HG23 ' A' ' 23' ' ' THR . 37.3 tp -64.88 -27.48 68.89 Favored 'General case' 0 CA--C 1.556 1.187 0 O-C-N 124.321 1.013 . . . . 74.5 111.557 179.195 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 128' ' ' THR . . . . . . . . . . . . . 99.3 m -73.54 -44.76 56.77 Favored 'General case' 0 N--CA 1.495 1.824 0 C-N-CA 123.24 0.616 . . . . 74.54 110.071 176.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 129' ' ' ASP . . . . . 0.416 ' O ' ' HG3' ' B' ' 133' ' ' GLN . 52.9 m-20 -61.14 -45.24 95.46 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.549 0.739 . . . . 71.15 109.699 175.49 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 130' ' ' LEU . . . . . 0.641 HD21 ' HB3' ' A' ' 30' ' ' LEU . 4.8 tp -63.24 -46.05 88.73 Favored 'General case' 0 C--O 1.215 -0.726 0 C-N-CA 125.735 1.614 . . . . 74.52 110.271 -178.092 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 131' ' ' LYS . . . . . 0.405 ' HE2' ' O ' ' B' ' 143' ' ' ARG . 24.0 tptp -51.61 -46.61 63.65 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 125.41 1.484 . . . . 73.45 111.024 174.654 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 62.9 tp -65.97 -49.68 67.0 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 115.358 -0.837 . . . . 71.34 110.94 178.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 133' ' ' GLN . . . . . 0.426 ' HB2' HD13 ' A' ' 34' ' ' LEU . 44.9 mt-30 -68.53 -27.38 66.05 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.492 0.717 . . . . 73.25 111.269 -175.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -72.4 -48.24 42.97 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.116 0.966 . . . . 71.35 108.432 -176.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 135' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -69.48 -22.63 63.61 Favored 'General case' 0 CA--C 1.551 0.993 0 O-C-N 123.4 0.438 . . . . 73.03 111.138 177.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -75.15 -32.92 61.44 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 122.793 0.437 . . . . 72.13 110.523 170.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -72.28 -48.56 41.47 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.18 0.592 . . . . 62.52 110.937 179.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 138' ' ' THR . . . . . 0.645 ' HB ' HG21 ' A' ' 38' ' ' THR . 12.4 t -103.48 160.32 14.82 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.396 0.678 . . . . 73.23 111.872 -174.31 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 2.3 pp0? -94.44 -17.24 22.67 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.764 1.226 . . . . 72.51 110.068 169.338 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 140' ' ' ARG . . . . . 0.467 ' HG2' ' HG3' ' A' ' 40' ' ' ARG . 12.6 tpt180 -67.01 165.96 14.64 Favored 'General case' 0 CA--C 1.555 1.152 0 C-N-CA 124.177 0.991 . . . . 72.2 110.106 179.134 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 3.9 pm0 -45.86 134.62 7.68 Favored 'General case' 0 C--N 1.372 1.574 0 CA-C-O 122.062 0.934 . . . . 71.42 112.697 -165.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.27 0.51 56.73 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 114.056 -1.429 . . . . 55.31 110.466 -174.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 143' ' ' ARG . . . . . 0.405 ' O ' ' HE2' ' B' ' 131' ' ' LYS . 99.6 mtt180 -63.07 -69.76 0.25 Allowed 'General case' 0 C--N 1.353 0.746 0 C-N-CA 124.746 1.218 . . . . 74.42 111.791 -178.317 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 144' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.562 1.409 0 C-N-CA 123.236 0.615 . . . . 74.45 109.872 -172.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.461 ' O ' ' HG3' ' A' ' 4' ' ' LYS . 10.2 m-20 . . . . . 0 N--CA 1.491 1.592 0 CA-C-O 121.378 0.608 . . . . 73.44 110.858 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -73.5 -13.51 61.06 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 113.803 1.038 . . . . 74.5 113.803 -169.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.559 ' HD3' ' H ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -71.6 -37.24 70.99 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-O 121.804 0.812 . . . . 73.22 109.025 179.226 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.559 ' H ' ' HD3' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -85.41 -22.62 28.27 Favored 'General case' 0 C--O 1.211 -0.957 0 CA-C-N 114.727 -1.124 . . . . 73.52 109.086 -178.597 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.436 HD21 ' HB2' ' B' ' 106' ' ' TYR . 33.3 tp -54.54 -44.25 72.66 Favored 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 109.594 -0.521 . . . . 70.01 109.594 172.197 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -55.89 -53.36 57.77 Favored 'General case' 0 C--N 1.356 0.849 0 CA-C-N 114.466 -1.243 . . . . 73.34 109.886 171.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 -53.78 -38.2 64.23 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.921 0.888 . . . . 75.31 112.443 -179.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.442 ' HG2' ' O ' ' A' ' 4' ' ' LYS . 12.3 mm-40 -64.98 -69.69 0.28 Allowed 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.469 0.708 . . . . 75.1 111.811 -174.429 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.539 HD13 ' CD2' ' B' ' 106' ' ' TYR . 17.5 mt -59.28 -41.07 82.94 Favored 'Isoleucine or valine' 0 C--N 1.359 0.988 0 O-C-N 123.713 0.633 . . . . 63.44 111.161 -179.789 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -67.47 -31.69 72.02 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.314 0.646 . . . . 73.41 111.138 -176.359 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.17 -45.34 88.84 Favored 'General case' 0 N--CA 1.483 1.191 0 CA-C-N 118.087 0.403 . . . . 74.02 110.137 174.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.455 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 4.6 tp10 -66.42 -41.73 88.81 Favored 'General case' 0 C--O 1.213 -0.866 0 CA-C-N 115.969 -0.559 . . . . 75.41 110.386 176.384 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -64.31 -42.16 96.47 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 125.393 1.477 . . . . 61.24 110.432 -176.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.463 ' HA ' ' HE2' ' A' ' 17' ' ' LYS . 2.9 tt0 -61.0 -49.46 77.34 Favored 'General case' 0 C--O 1.24 0.588 0 C-N-CA 124.823 1.249 . . . . 74.03 109.653 175.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.5 ttpt -56.57 -43.36 79.95 Favored 'General case' 0 C--O 1.217 -0.613 0 O-C-N 124.44 1.088 . . . . 72.03 109.959 177.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 12' ' ' GLU . 94.2 mt -65.3 -29.62 70.39 Favored 'General case' 0 C--N 1.357 0.91 0 C-N-CA 124.027 0.931 . . . . 75.11 111.388 -177.289 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.463 ' HE2' ' HA ' ' A' ' 14' ' ' GLU . 49.0 mtmt -73.96 -35.13 64.48 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 122.808 0.443 . . . . 75.13 111.038 174.437 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.99 -49.3 46.77 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.05 0.54 . . . . 73.04 110.617 -177.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -70.29 -32.7 70.6 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.515 0.726 . . . . 72.32 112.153 -179.393 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.433 HD22 ' HA ' ' A' ' 17' ' ' LYS . 0.6 OUTLIER -66.19 -41.17 90.61 Favored 'General case' 0 N--CA 1.483 1.203 0 N-CA-C 108.748 -0.834 . . . . 75.4 108.748 173.727 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 14.0 t-80 -60.06 -36.41 77.27 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.928 0.891 . . . . 72.1 110.307 -178.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.407 ' HA ' ' HG2' ' A' ' 25' ' ' MET . 70.9 m-20 -71.45 -45.41 62.7 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 123.811 0.695 . . . . 75.42 111.518 175.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.506 HG21 ' ND2' ' B' ' 124' ' ' ASN . 12.0 m -67.86 -29.64 68.82 Favored 'General case' 0 CA--C 1.545 0.759 0 O-C-N 123.38 0.425 . . . . 73.35 111.282 -178.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.567 ' ND2' HG21 ' B' ' 123' ' ' THR . 1.0 OUTLIER -75.26 -45.21 41.42 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.794 0.838 . . . . 74.45 109.638 179.37 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.407 ' HG2' ' HA ' ' A' ' 22' ' ' ASP . 22.5 ptp -69.06 -36.99 78.28 Favored 'General case' 0 C--N 1.356 0.865 0 O-C-N 123.429 0.456 . . . . 75.03 110.265 -175.429 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.515 ' O ' ' HB2' ' A' ' 30' ' ' LEU . 18.4 pt-20 -78.51 -31.03 47.46 Favored 'General case' 0 C--O 1.203 -1.382 0 O-C-N 123.756 0.66 . . . . 75.44 110.13 -178.597 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 48.8 tp -60.47 -48.33 82.24 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.708 0.803 . . . . 74.23 111.259 171.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 35.5 m -65.53 -41.29 93.24 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.377 0.671 . . . . 73.11 110.602 179.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -69.63 -33.42 72.61 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.91 0.884 . . . . 75.32 110.748 178.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.545 ' HA ' HE22 ' A' ' 33' ' ' GLN . 11.9 tp -67.39 -43.23 81.85 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.784 0.834 . . . . 75.01 108.771 179.644 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.486 ' HA ' HD11 ' B' ' 130' ' ' LEU . 0.0 OUTLIER -70.4 -31.07 68.14 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.757 1.223 . . . . 74.02 110.084 -179.535 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 46.3 tp -63.85 -59.38 4.6 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 115.266 -0.879 . . . . 75.13 109.856 -179.016 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.545 HE22 ' HA ' ' A' ' 30' ' ' LEU . 3.7 pp0? -75.52 -19.69 59.19 Favored 'General case' 0 CA--C 1.554 1.117 0 CA-C-N 116.201 -0.454 . . . . 74.24 111.879 179.773 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 25.6 tp -51.77 -62.29 1.72 Allowed 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 123.231 0.612 . . . . 65.33 110.199 170.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -71.21 -24.52 62.23 Favored 'General case' 0 C--N 1.359 0.996 0 O-C-N 125.466 1.729 . . . . 74.24 111.271 -176.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.437 ' HB2' ' HA ' ' A' ' 33' ' ' GLN . 99.3 mttt -71.06 -7.07 43.87 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 122.177 0.191 . . . . 75.13 111.094 168.503 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 82.48 68.12 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.2 1.4 . . . . 64.22 108.038 171.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.579 HG23 HG23 ' B' ' 138' ' ' THR . 9.5 t -36.88 171.19 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.839 0 CA-C-N 112.681 -2.054 . . . . 44.35 116.343 179.414 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.624 ' HA ' HG21 ' B' ' 138' ' ' THR . 0.0 OUTLIER -143.37 -34.75 0.41 Allowed 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 114.422 -1.263 . . . . 72.52 109.164 169.143 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.514 ' HG3' ' HB3' ' B' ' 141' ' ' GLN . 30.9 ttt-85 -159.45 151.07 20.25 Favored 'General case' 0 C--N 1.35 0.601 0 C-N-CA 125.208 1.403 . . . . 71.12 108.51 -178.324 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.415 ' HB3' HD21 ' B' ' 134' ' ' LEU . 17.1 pm0 -119.83 150.91 39.67 Favored 'General case' 0 C--O 1.238 0.466 0 C-N-CA 123.535 0.734 . . . . 73.32 109.098 175.257 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -127.91 90.29 3.07 Favored 'General case' 0 C--O 1.238 0.455 0 N-CA-C 108.077 -1.082 . . . . 74.31 108.077 176.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 50.9 mtp180 -78.7 -51.92 9.13 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 115.267 -0.879 . . . . 74.51 109.467 176.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 68.4 t80 . . . . . 0 C--O 1.239 0.513 0 C-N-CA 124.405 1.082 . . . . 75.11 109.578 176.643 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 101' ' ' ASP . . . . . 0.63 ' N ' ' HZ2' ' B' ' 103' ' ' LYS . 24.0 m-20 . . . . . 0 N--CA 1.468 0.473 0 CA-C-O 120.759 0.314 . . . . 72.03 110.796 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 102' ' ' PHE . . . . . 0.472 ' HD1' HD22 ' B' ' 105' ' ' LEU . 97.8 m-85 -118.54 -1.6 11.16 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.177 0.991 . . . . 73.13 111.731 -177.556 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 103' ' ' LYS . . . . . 0.63 ' HZ2' ' N ' ' B' ' 101' ' ' ASP . 0.0 OUTLIER -61.87 -34.26 75.68 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 108.861 -0.792 . . . . 74.52 108.861 172.884 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 104' ' ' LYS . . . . . 0.455 ' O ' ' HG2' ' B' ' 108' ' ' GLN . 0.0 OUTLIER -59.32 -42.63 91.87 Favored 'General case' 0 C--N 1.359 0.985 0 CA-C-N 114.808 -1.087 . . . . 73.14 111.209 172.859 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . 0.472 HD22 ' HD1' ' B' ' 102' ' ' PHE . 0.4 OUTLIER -61.99 -41.61 98.23 Favored 'General case' 0 C--N 1.381 1.94 0 N-CA-C 108.728 -0.842 . . . . 73.52 108.728 -176.256 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 106' ' ' TYR . . . . . 0.539 ' CD2' HD13 ' A' ' 9' ' ' ILE . 49.6 t80 -55.12 -49.88 70.64 Favored 'General case' 0 C--N 1.366 1.293 0 O-C-N 124.77 1.293 . . . . 74.44 108.986 177.334 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -63.91 -41.02 97.78 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 113.096 0.776 . . . . 75.42 113.096 -178.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 108' ' ' GLN . . . . . 0.455 ' HG2' ' O ' ' B' ' 104' ' ' LYS . 12.9 mm-40 -64.77 -58.23 6.81 Favored 'General case' 0 N--CA 1.483 1.194 0 O-C-N 123.404 0.44 . . . . 75.44 110.607 -174.506 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 15.7 mt -67.63 -38.62 80.75 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.974 0 CA-C-N 115.469 -0.787 . . . . 73.32 110.811 -176.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 110' ' ' LEU . . . . . 0.402 ' HB2' HD11 ' A' ' 9' ' ' ILE . 1.5 tm? -68.87 -33.17 73.35 Favored 'General case' 0 N--CA 1.492 1.633 0 C-N-CA 123.481 0.712 . . . . 74.41 110.747 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.13 -41.75 97.1 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-O 120.973 0.416 . . . . 64.03 109.919 175.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 112' ' ' GLU . . . . . 0.414 ' O ' ' HG ' ' B' ' 116' ' ' LEU . 8.8 tp10 -70.83 -37.91 73.2 Favored 'General case' 0 C--O 1.214 -0.807 0 CA-C-N 115.253 -0.885 . . . . 65.13 110.833 175.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -64.19 -43.58 94.62 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 124.825 1.25 . . . . 74.23 110.177 -177.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -54.28 -54.97 33.01 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.529 1.531 . . . . 73.43 109.955 172.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 20.4 ttpt -57.85 -39.31 77.4 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 114.257 -1.338 . . . . 74.15 110.339 -179.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 116' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' B' ' 112' ' ' GLU . 69.9 mt -68.04 -30.59 69.85 Favored 'General case' 0 C--N 1.355 0.829 0 O-C-N 123.961 0.788 . . . . 73.31 111.636 -177.378 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -72.67 -37.37 67.93 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 120.787 0.327 . . . . 72.3 110.701 175.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -74.3 -39.98 62.55 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 116.033 -0.531 . . . . 74.24 111.314 -177.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -74.38 -35.58 63.52 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.231 0.612 . . . . 64.11 110.928 -177.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 1.4 pp -67.42 -42.22 83.56 Favored 'General case' 0 C--N 1.362 1.135 0 N-CA-C 109.387 -0.597 . . . . 75.55 109.387 178.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -58.92 -47.73 83.98 Favored 'General case' 0 C--N 1.36 1.039 0 O-C-N 123.671 0.607 . . . . 74.1 109.523 175.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 122' ' ' ASP . . . . . 0.437 ' O ' ' HG2' ' B' ' 126' ' ' GLU . 26.1 t70 -58.13 -42.01 84.91 Favored 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 125.115 1.366 . . . . 74.02 111.869 178.762 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 123' ' ' THR . . . . . 0.567 HG21 ' ND2' ' A' ' 24' ' ' ASN . 81.7 m -73.43 -33.75 65.09 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.824 0.85 . . . . 74.22 110.791 -179.576 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 124' ' ' ASN . . . . . 0.506 ' ND2' HG21 ' A' ' 23' ' ' THR . 9.2 m-80 -73.54 -25.43 60.4 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.491 0.716 . . . . 74.34 110.427 175.804 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 125' ' ' MET . . . . . 0.489 ' HA ' ' HE1' ' B' ' 125' ' ' MET . 7.8 mmt -70.7 -43.1 69.7 Favored 'General case' 0 C--N 1.352 0.677 0 C-N-CA 122.962 0.505 . . . . 74.43 109.881 170.565 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 126' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' B' ' 122' ' ' ASP . 50.6 mm-40 -59.43 -39.72 84.42 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.029 0.532 . . . . 72.43 110.288 173.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 127' ' ' LEU . . . . . 0.49 HD23 HG22 ' A' ' 23' ' ' THR . 40.7 tp -68.12 -41.39 81.79 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 124.658 1.183 . . . . 73.51 111.038 -178.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 128' ' ' THR . . . . . . . . . . . . . 90.5 m -66.63 -40.72 88.88 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.735 0.814 . . . . 74.31 110.184 176.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 129' ' ' ASP . . . . . 0.447 ' O ' ' HB3' ' B' ' 132' ' ' LEU . 15.0 t70 -65.98 -38.41 88.45 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 114.421 -1.263 . . . . 74.13 109.71 178.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 130' ' ' LEU . . . . . 0.529 ' HB3' HD23 ' A' ' 30' ' ' LEU . 0.4 OUTLIER -71.63 -47.12 56.6 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.38 0.672 . . . . 73.21 109.754 -176.214 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 131' ' ' LYS . . . . . 0.426 ' HA ' ' HB2' ' B' ' 134' ' ' LEU . 0.2 OUTLIER -67.64 -19.0 65.15 Favored 'General case' 0 C--N 1.357 0.925 0 O-C-N 123.431 0.457 . . . . 73.31 110.187 179.933 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 132' ' ' LEU . . . . . 0.447 ' HB3' ' O ' ' B' ' 129' ' ' ASP . 40.9 tp -68.02 -48.11 66.6 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.226 0.611 . . . . 73.15 110.695 169.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 133' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -64.33 -27.77 69.25 Favored 'General case' 0 N--CA 1.488 1.46 0 CA-C-N 118.308 0.504 . . . . 60.25 110.886 172.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 134' ' ' LEU . . . . . 0.489 ' HG ' HG22 ' A' ' 38' ' ' THR . 7.5 tp -66.86 -47.96 70.3 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.974 0.91 . . . . 73.04 110.196 -177.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 135' ' ' GLU . . . . . 0.536 ' HB3' ' HD3' ' B' ' 140' ' ' ARG . 10.7 pt-20 -72.03 -23.83 61.45 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 115.261 -0.881 . . . . 70.15 110.793 178.561 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -75.71 -33.94 60.36 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 122.751 0.42 . . . . 74.14 111.264 171.27 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -65.46 -34.58 78.61 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.184 0.594 . . . . 64.01 111.012 -178.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 138' ' ' THR . . . . . 0.624 HG21 ' HA ' ' A' ' 39' ' ' GLN . 8.8 t -145.48 -65.65 0.32 Allowed 'General case' 0 CA--C 1.559 1.296 0 O-C-N 123.571 0.544 . . . . 75.43 110.936 171.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 139' ' ' GLN . . . . . 0.483 ' O ' ' HG2' ' B' ' 140' ' ' ARG . 0.7 OUTLIER 170.94 -18.64 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 125.508 1.523 . . . . 74.41 110.324 -174.484 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 140' ' ' ARG . . . . . 0.536 ' HD3' ' HB3' ' B' ' 135' ' ' GLU . 12.3 ptt-85 66.63 -176.88 0.19 Allowed 'General case' 0 N--CA 1.493 1.695 0 C-N-CA 126.226 1.81 . . . . 75.31 109.741 -175.043 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 141' ' ' GLN . . . . . 0.514 ' HB3' ' HG3' ' A' ' 40' ' ' ARG . 21.2 pt20 -58.09 -16.57 13.54 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 114.16 1.17 . . . . 73.52 114.16 178.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 57.7 16.42 3.47 Favored 'General case' 0 N--CA 1.5 2.067 0 C-N-CA 126.677 1.991 . . . . 72.13 113.378 170.314 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 80.7 mtp180 -69.4 -41.16 76.8 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.012 0.925 . . . . 74.51 110.134 177.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 144' ' ' PHE . . . . . . . . . . . . . 73.5 t80 . . . . . 0 C--O 1.251 1.18 0 C-N-CA 124.12 0.968 . . . . 72.44 108.449 176.641 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.568 ' O ' ' HG3' ' A' ' 4' ' ' LYS . 6.8 m-20 . . . . . 0 N--CA 1.492 1.67 0 N-CA-C 112.025 0.38 . . . . 73.15 112.025 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 40.8 m-85 -69.17 -11.55 60.9 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 113.054 0.761 . . . . 74.33 113.054 179.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.08 -45.86 72.64 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 109.496 -0.557 . . . . 71.52 109.496 174.279 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.568 ' HG3' ' O ' ' A' ' 1' ' ' ASP . 0.0 OUTLIER -74.15 -31.3 62.66 Favored 'General case' 0 C--O 1.204 -1.299 0 CA-C-O 119.14 -0.457 . . . . 75.42 109.793 -176.749 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 17.8 tp -52.32 -50.89 61.36 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-O 121.654 0.74 . . . . 72.3 110.392 174.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -59.57 -44.41 93.31 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 113.546 -1.661 . . . . 73.32 110.383 175.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -65.96 -36.2 82.68 Favored 'General case' 0 C--O 1.214 -0.771 0 C-N-CA 123.856 0.862 . . . . 64.42 112.795 -177.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.474 ' HG2' ' O ' ' A' ' 4' ' ' LYS . 8.7 mm-40 -65.62 -62.05 1.74 Allowed 'General case' 0 N--CA 1.487 1.401 0 CA-C-N 118.198 0.454 . . . . 73.42 110.664 -174.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.524 HD11 ' HB2' ' B' ' 110' ' ' LEU . 19.1 mt -65.23 -40.04 87.4 Favored 'Isoleucine or valine' 0 C--N 1.354 0.79 0 O-C-N 123.693 0.62 . . . . 72.33 111.504 -178.368 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 19.0 tp -73.19 -28.35 62.14 Favored 'General case' 0 N--CA 1.484 1.263 0 N-CA-C 112.26 0.467 . . . . 75.32 112.26 -176.495 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.43 -42.38 92.52 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 109.297 -0.631 . . . . 74.33 109.297 172.633 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.466 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 4.6 tp10 -67.69 -39.92 84.39 Favored 'General case' 0 C--O 1.211 -0.963 0 CA-C-N 115.265 -0.879 . . . . 63.23 109.785 176.745 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -62.27 -44.61 96.13 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 125.21 1.404 . . . . 74.14 110.546 -177.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -58.21 -50.23 74.29 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.37 1.068 . . . . 75.51 110.156 174.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.2 ttpt -59.82 -42.57 93.82 Favored 'General case' 0 C--O 1.217 -0.619 0 CA-C-N 114.992 -1.004 . . . . 63.33 110.455 -179.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 12' ' ' GLU . 87.5 mt -65.64 -33.36 75.7 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.837 0.855 . . . . 71.32 110.532 -179.428 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.42 ' HA ' HD21 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -70.32 -33.22 71.26 Favored 'General case' 0 CA--C 1.55 0.942 0 C-N-CA 123.925 0.89 . . . . 74.52 110.141 176.325 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.48 -48.51 16.92 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.403 0.681 . . . . 72.01 111.097 -176.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.44 -32.91 72.16 Favored 'General case' 0 C--N 1.346 0.421 0 C-N-CA 123.414 0.685 . . . . 72.24 111.475 -178.612 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.42 HD21 ' HA ' ' A' ' 17' ' ' LYS . 0.7 OUTLIER -66.93 -44.99 79.23 Favored 'General case' 0 C--O 1.21 -0.979 0 N-CA-C 108.416 -0.957 . . . . 74.11 108.416 175.051 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 40.4 t-80 -53.85 -45.15 70.84 Favored 'General case' 0 C--N 1.359 0.996 0 O-C-N 124.246 0.966 . . . . 75.33 109.648 -179.191 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -63.66 -49.11 74.48 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 114.841 -1.072 . . . . 73.42 111.603 178.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.51 HG21 ' ND2' ' B' ' 124' ' ' ASN . 7.8 m -67.21 -30.21 70.08 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 122.883 0.473 . . . . 73.52 111.104 -178.264 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.492 ' ND2' HG22 ' B' ' 123' ' ' THR . 1.0 OUTLIER -75.18 -46.28 35.16 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.921 0.888 . . . . 64.31 109.714 -178.606 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.438 ' HA ' ' HE2' ' A' ' 25' ' ' MET . 10.7 mmt -62.76 -48.55 78.67 Favored 'General case' 0 C--N 1.35 0.601 0 O-C-N 123.965 0.79 . . . . 63.04 110.884 179.456 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.502 ' O ' ' HB2' ' A' ' 30' ' ' LEU . 12.0 pt-20 -65.73 -35.84 81.88 Favored 'General case' 0 C--O 1.205 -1.265 0 CA-C-O 118.888 -0.577 . . . . 74.03 110.6 -179.034 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.643 HD11 ' HB2' ' B' ' 126' ' ' GLU . 7.1 tt -58.47 -42.63 87.94 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.867 0.867 . . . . 70.22 110.444 174.423 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.437 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 68.7 m -69.78 -43.87 71.28 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 123.572 0.749 . . . . 74.44 111.147 -177.679 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.52 -36.56 84.2 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 115.67 -0.695 . . . . 75.11 110.274 175.403 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.502 ' HB2' ' O ' ' A' ' 26' ' ' GLU . 9.4 tp -73.57 -39.85 64.36 Favored 'General case' 0 C--N 1.349 0.559 0 C-N-CA 123.576 0.75 . . . . 74.51 110.029 -175.254 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.437 ' HG3' ' O ' ' A' ' 28' ' ' THR . 0.1 OUTLIER -69.79 -33.38 72.3 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 109.133 -0.692 . . . . 73.02 109.133 -179.882 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 39.5 tp -64.88 -52.73 54.97 Favored 'General case' 0 C--N 1.35 0.593 0 CA-C-N 115.373 -0.83 . . . . 73.45 110.684 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.463 ' OE1' ' HB3' ' A' ' 41' ' ' GLN . 0.7 OUTLIER -70.18 -30.79 68.0 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-O 119.846 -0.121 . . . . 61.23 111.313 178.579 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.479 HD13 HD22 ' B' ' 134' ' ' LEU . 17.3 tp -50.25 -62.04 1.81 Allowed 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.174 0.59 . . . . 72.24 110.234 176.215 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -68.53 -29.69 68.33 Favored 'General case' 0 C--N 1.358 0.939 0 O-C-N 126.631 2.457 . . . . 63.31 111.334 -174.352 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -61.25 -18.75 59.93 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.132 0.573 . . . . 75.15 110.728 168.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 82.03 63.28 0.02 OUTLIER 'General case' 0 CA--C 1.505 -0.752 0 N-CA-C 106.716 -1.587 . . . . 73.03 106.716 177.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.457 HG22 HD23 ' B' ' 134' ' ' LEU . 15.1 t -57.07 168.4 0.69 Allowed 'General case' 0 N--CA 1.481 1.092 0 CA-C-N 112.356 -2.202 . . . . 61.44 113.877 -172.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -122.27 -46.32 2.18 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 114.4 -1.273 . . . . 70.35 108.745 167.54 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.534 ' HG3' ' NE2' ' B' ' 141' ' ' GLN . 46.0 ttt-85 -166.28 132.31 2.44 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.624 0.77 . . . . 74.32 110.426 -177.434 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.463 ' HB3' ' OE1' ' A' ' 33' ' ' GLN . 0.0 OUTLIER -104.91 -38.93 6.45 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 123.727 0.811 . . . . 74.25 109.372 175.197 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.402 ' H ' ' NE2' ' B' ' 141' ' ' GLN . 8.0 tp10 67.48 117.11 0.03 OUTLIER 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 126.678 1.991 . . . . 65.22 112.351 -175.535 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 69.1 mtm180 -112.25 -37.01 5.14 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.174 0.99 . . . . 72.15 110.153 -176.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 65.5 t80 . . . . . 0 N--CA 1.48 1.05 0 C-N-CA 123.707 0.803 . . . . 75.21 109.902 177.224 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 101' ' ' ASP . . . . . 0.683 ' N ' ' HZ2' ' B' ' 103' ' ' LYS . 11.1 m-20 . . . . . 0 CA--C 1.537 0.471 0 CA-C-O 120.953 0.406 . . . . 64.43 110.419 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 102' ' ' PHE . . . . . 0.462 ' O ' ' HG ' ' B' ' 105' ' ' LEU . 98.0 m-85 -115.83 -21.51 9.55 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.078 0.951 . . . . 74.4 111.398 -179.073 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 103' ' ' LYS . . . . . 0.683 ' HZ2' ' N ' ' B' ' 101' ' ' ASP . 0.0 OUTLIER -60.82 -32.76 72.11 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 108.955 -0.757 . . . . 74.12 108.955 174.504 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 104' ' ' LYS . . . . . 0.47 ' O ' ' HG2' ' B' ' 108' ' ' GLN . 0.0 OUTLIER -68.43 -35.87 78.23 Favored 'General case' 0 C--N 1.355 0.831 0 CA-C-N 114.634 -1.166 . . . . 72.11 111.319 177.147 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' B' ' 102' ' ' PHE . 0.8 OUTLIER -61.2 -43.02 99.54 Favored 'General case' 0 C--N 1.376 1.759 0 N-CA-C 108.298 -1.001 . . . . 74.45 108.298 179.229 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 106' ' ' TYR . . . . . 0.433 ' CD1' HD13 ' A' ' 9' ' ' ILE . 35.6 t80 -56.04 -45.78 79.09 Favored 'General case' 0 C--N 1.362 1.135 0 O-C-N 124.657 1.223 . . . . 72.44 109.552 177.219 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -65.78 -45.89 80.78 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.528 0.731 . . . . 45.3 112.585 -179.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 108' ' ' GLN . . . . . 0.47 ' HG2' ' O ' ' B' ' 104' ' ' LYS . 13.6 mm-40 -65.97 -52.16 52.1 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 122.701 0.4 . . . . 75.4 111.047 -171.813 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 20.6 mt -69.49 -38.9 77.87 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 O-C-N 123.827 0.705 . . . . 73.32 110.319 -177.308 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 110' ' ' LEU . . . . . 0.524 ' HB2' HD11 ' A' ' 9' ' ' ILE . 22.4 tp -70.57 -32.76 70.29 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 122.608 0.363 . . . . 73.02 111.637 -178.447 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.66 -44.2 91.15 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 109.942 -0.392 . . . . 70.14 109.942 175.093 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 112' ' ' GLU . . . . . 0.464 ' O ' ' HG ' ' B' ' 116' ' ' LEU . 9.0 tp10 -65.13 -38.0 89.23 Favored 'General case' 0 C--O 1.211 -0.931 0 CA-C-N 115.224 -0.898 . . . . 65.53 110.17 173.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -65.84 -39.14 90.5 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 124.821 1.249 . . . . 75.53 110.754 -176.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.65 -35.03 67.67 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.854 0.862 . . . . 73.34 109.346 178.466 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 6.0 ttpt -65.77 -41.34 92.18 Favored 'General case' 0 C--N 1.35 0.614 0 CA-C-N 115.291 -0.868 . . . . 72.41 108.932 177.33 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 116' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' B' ' 112' ' ' GLU . 96.7 mt -66.49 -33.63 76.12 Favored 'General case' 0 C--N 1.352 0.698 0 O-C-N 124.374 1.046 . . . . 74.03 110.316 177.184 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.59 -42.62 91.49 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 123.77 0.828 . . . . 70.43 109.656 178.575 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -74.28 -46.13 43.26 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 114.873 -1.058 . . . . 65.22 111.069 -174.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 5.4 pp0? -67.17 -37.03 83.04 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 115.983 -0.553 . . . . 71.31 111.07 -177.269 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 2.9 pp -68.14 -40.07 82.53 Favored 'General case' 0 C--N 1.365 1.27 0 N-CA-C 109.867 -0.42 . . . . 73.32 109.867 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 50.7 t-80 -57.45 -44.8 85.05 Favored 'General case' 0 C--N 1.354 0.769 0 O-C-N 124.113 0.883 . . . . 64.3 109.601 174.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -68.65 -36.0 77.99 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 114.95 -1.023 . . . . 75.22 111.063 -179.269 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 123' ' ' THR . . . . . 0.492 HG22 ' ND2' ' A' ' 24' ' ' ASN . 33.4 m -69.99 -37.47 75.73 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.21 0.604 . . . . 72.13 109.846 179.733 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 124' ' ' ASN . . . . . 0.51 ' ND2' HG21 ' A' ' 23' ' ' THR . 1.2 m-80 -68.82 -31.12 69.87 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 115.633 -0.712 . . . . 65.51 110.078 176.396 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 125' ' ' MET . . . . . 0.402 ' HE3' ' HA ' ' B' ' 125' ' ' MET . 1.7 mmt -66.22 -41.08 90.61 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 122.901 0.481 . . . . 62.2 111.263 175.118 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 126' ' ' GLU . . . . . 0.643 ' HB2' HD11 ' A' ' 27' ' ' LEU . 10.9 mt-10 -71.39 -33.29 69.37 Favored 'General case' 0 N--CA 1.476 0.87 0 O-C-N 123.342 0.401 . . . . 75.11 109.994 177.081 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 127' ' ' LEU . . . . . 0.444 HD22 HG22 ' A' ' 23' ' ' THR . 53.6 tp -69.48 -35.38 75.53 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.832 0.853 . . . . 74.04 110.619 178.844 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 128' ' ' THR . . . . . . . . . . . . . 87.1 m -74.71 -36.23 62.71 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.649 0.78 . . . . 73.43 110.064 176.611 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -66.13 -39.57 89.97 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 114.563 -1.199 . . . . 72.23 110.022 175.269 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 130' ' ' LEU . . . . . 0.419 ' HB2' ' O ' ' B' ' 126' ' ' GLU . 0.2 OUTLIER -68.23 -46.71 69.79 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.932 0.893 . . . . 74.21 108.957 -179.507 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 25.8 tptp -56.53 -36.3 69.06 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.437 1.495 . . . . 75.34 111.014 174.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 35.5 tp -70.08 -43.04 71.96 Favored 'General case' 0 CA--C 1.543 0.705 0 O-C-N 123.532 0.52 . . . . 73.01 109.988 176.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 133' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -64.2 -28.73 69.95 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 115.97 -0.559 . . . . 71.41 110.738 177.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 134' ' ' LEU . . . . . 0.479 HD22 HD13 ' A' ' 34' ' ' LEU . 32.8 mt -70.19 -51.54 30.24 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 122.991 0.517 . . . . 73.21 110.83 176.778 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 135' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -69.51 -7.49 38.64 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 122.607 0.363 . . . . 71.41 111.526 -178.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -88.45 -49.74 6.74 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 123.37 0.668 . . . . 74.44 110.74 163.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -72.41 -20.41 61.43 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 123.948 0.899 . . . . 65.45 113.115 -171.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 138' ' ' THR . . . . . 0.453 HG23 HG23 ' A' ' 38' ' ' THR . 12.8 t -160.88 173.28 15.55 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.134 0.574 . . . . 63.55 111.182 -172.816 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -79.83 -21.11 44.59 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 114.944 -1.026 . . . . 75.0 111.097 177.009 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 140' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 46.01 -176.33 0.01 OUTLIER 'General case' 0 N--CA 1.504 2.238 0 C-N-CA 126.866 2.066 . . . . 74.21 113.882 -176.651 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 141' ' ' GLN . . . . . 0.534 ' NE2' ' HG3' ' A' ' 40' ' ' ARG . 0.2 OUTLIER -96.37 -43.75 7.52 Favored 'General case' 0 N--CA 1.484 1.252 0 N-CA-C 109.627 -0.508 . . . . 74.43 109.627 175.187 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 42.36 79.03 0.04 OUTLIER 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.824 1.649 . . . . 63.3 112.615 -171.286 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 21.8 mmt180 -79.27 -57.37 3.75 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 108.29 -1.004 . . . . 74.13 108.29 171.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 144' ' ' PHE . . . . . . . . . . . . . 41.8 t80 . . . . . 0 C--O 1.249 1.03 0 N-CA-C 107.911 -1.144 . . . . 72.5 107.911 175.64 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.536 ' O ' ' HG3' ' A' ' 4' ' ' LYS . 3.1 p30 . . . . . 0 N--CA 1.483 1.179 0 CA-C-O 119.142 -0.456 . . . . 74.32 110.857 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -55.06 -19.57 7.52 Favored 'General case' 0 CA--C 1.548 0.901 0 N-CA-C 114.591 1.33 . . . . 74.25 114.591 -172.098 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.24 -42.41 79.74 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 118.11 0.414 . . . . 73.4 110.229 177.049 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.536 ' HG3' ' O ' ' A' ' 1' ' ' ASP . 0.0 OUTLIER -73.86 -31.84 63.35 Favored 'General case' 0 C--N 1.361 1.083 0 N-CA-C 108.982 -0.747 . . . . 73.23 108.982 179.568 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 36.8 tp -53.43 -47.08 69.95 Favored 'General case' 0 C--N 1.366 1.291 0 O-C-N 124.031 0.832 . . . . 74.44 110.389 176.382 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.451 ' HA ' HD13 ' B' ' 105' ' ' LEU . 36.1 t80 -53.84 -45.92 71.06 Favored 'General case' 0 C--N 1.356 0.857 0 O-C-N 124.521 1.138 . . . . 73.14 110.6 176.133 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -70.5 -36.56 73.87 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 115.247 -0.888 . . . . 75.52 113.317 -178.385 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.461 ' HG2' ' O ' ' A' ' 4' ' ' LYS . 11.4 mm-40 -67.33 -59.13 3.66 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 122.86 0.464 . . . . 72.4 111.362 -174.545 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.8 mt -55.21 -47.23 77.8 Favored 'Isoleucine or valine' 0 C--N 1.354 0.797 0 O-C-N 123.981 0.8 . . . . 75.33 110.78 177.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 19.1 tp -70.06 -29.05 65.96 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.006 0.922 . . . . 74.31 112.47 -173.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.15 -46.03 78.89 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 109.34 -0.615 . . . . 73.51 109.34 172.232 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.428 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 42.8 mm-40 -67.16 -28.48 68.15 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.351 0.661 . . . . 75.43 111.621 174.485 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.449 HD21 ' HB3' ' B' ' 112' ' ' GLU . 15.4 t-20 -72.29 -48.23 43.94 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.391 0.677 . . . . 64.32 109.542 -177.232 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -65.47 -33.34 75.71 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-N 115.551 -0.75 . . . . 73.3 109.288 177.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.2 ttpt -66.81 -43.94 82.48 Favored 'General case' 0 C--N 1.356 0.872 0 CA-C-N 115.074 -0.966 . . . . 74.54 109.171 -178.449 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 12' ' ' GLU . 91.9 mt -68.53 -26.97 65.69 Favored 'General case' 0 C--N 1.358 0.937 0 C-N-CA 123.662 0.785 . . . . 75.24 111.093 179.353 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.411 ' HA ' HD23 ' A' ' 20' ' ' LEU . 55.0 mtmt -77.58 -27.01 51.25 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 122.726 0.411 . . . . 71.33 111.356 173.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.473 ' O ' ' HB3' ' A' ' 21' ' ' HIS . . . -74.53 -55.03 6.38 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 123.005 0.522 . . . . 74.02 109.679 178.261 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -64.91 -31.42 72.65 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 123.094 0.558 . . . . 74.12 112.384 -179.768 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' A' ' 17' ' ' LYS . 0.7 OUTLIER -65.33 -45.36 84.54 Favored 'General case' 0 C--N 1.367 1.339 0 N-CA-C 109.319 -0.623 . . . . 75.34 109.319 173.13 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.473 ' HB3' ' O ' ' A' ' 18' ' ' ALA . 2.7 t-80 -47.71 -47.07 30.1 Favored 'General case' 0 N--CA 1.491 1.586 0 C-N-CA 124.132 0.973 . . . . 73.33 110.905 177.173 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -66.19 -49.6 66.77 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 115.16 -0.927 . . . . 72.13 111.398 178.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.575 HG23 HG21 ' B' ' 123' ' ' THR . 7.2 m -66.36 -25.82 66.98 Favored 'General case' 0 N--CA 1.481 1.079 0 O-C-N 123.49 0.494 . . . . 73.4 111.493 -177.715 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.537 ' ND2' HG22 ' B' ' 123' ' ' THR . 0.9 OUTLIER -77.71 -48.41 16.76 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.144 0.978 . . . . 71.31 110.557 -179.285 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 27.6 ptm -66.99 -37.12 83.63 Favored 'General case' 0 N--CA 1.476 0.833 0 O-C-N 123.388 0.43 . . . . 75.31 110.514 -178.113 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.506 ' HB2' ' HB3' ' A' ' 43' ' ' ARG . 13.0 pt-20 -79.49 -25.81 41.74 Favored 'General case' 0 C--O 1.212 -0.874 0 CA-C-N 116.179 -0.464 . . . . 61.35 110.396 -179.541 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.2 tt -61.94 -46.62 88.52 Favored 'General case' 0 C--N 1.356 0.876 0 N-CA-C 108.599 -0.889 . . . . 75.13 108.599 170.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 25.3 m -64.99 -33.41 75.99 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 123.912 0.885 . . . . 74.15 110.702 -177.015 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.461 ' O ' ' HG3' ' A' ' 33' ' ' GLN . 1.2 m-20 -70.31 -52.56 21.84 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.988 0.915 . . . . 75.44 111.19 175.754 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.621 ' O ' ' HB2' ' A' ' 34' ' ' LEU . 3.6 mm? -52.0 -49.39 63.41 Favored 'General case' 0 C--O 1.199 -1.557 0 O-C-N 124.588 1.18 . . . . 73.43 110.264 177.291 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 45.7 tptt -53.13 -54.6 33.38 Favored 'General case' 0 C--O 1.255 1.377 0 C-N-CA 125.869 1.668 . . . . 72.03 112.195 175.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.1 tt -56.81 -61.45 2.42 Favored 'General case' 0 C--O 1.246 0.916 0 CA-C-N 114.454 -1.248 . . . . 74.43 111.58 -173.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.461 ' HG3' ' O ' ' A' ' 29' ' ' ASP . 1.0 OUTLIER -72.13 -24.16 61.42 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 116.063 -0.517 . . . . 55.43 111.687 -176.667 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.647 ' HG ' HD22 ' B' ' 134' ' ' LEU . 2.4 tt -49.3 -65.43 0.57 Allowed 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 108.225 -1.028 . . . . 74.43 108.225 177.326 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -72.43 -21.64 61.22 Favored 'General case' 0 C--N 1.359 1.01 0 O-C-N 126.59 2.431 . . . . 73.52 112.608 -174.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -63.79 -13.41 43.99 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-O 120.833 0.349 . . . . 73.43 110.858 164.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 81.35 59.78 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 126.065 1.746 . . . . 73.44 108.697 169.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 73.0 p -111.0 -165.21 0.97 Allowed 'General case' 0 N--CA 1.491 1.589 0 CA-C-N 113.91 -1.495 . . . . 61.1 110.879 -175.597 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -142.74 -52.57 0.39 Allowed 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.218 1.007 . . . . 74.22 110.893 176.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.603 ' HA ' HE22 ' B' ' 141' ' ' GLN . 17.2 ttp180 -88.02 142.69 27.58 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.481 0.712 . . . . 72.11 111.081 -178.24 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.39 163.76 31.93 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-O 121.535 0.683 . . . . 75.21 110.618 174.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -96.23 -17.92 20.42 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.765 1.226 . . . . 54.43 110.058 175.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.506 ' HB3' ' HB2' ' A' ' 26' ' ' GLU . 0.0 OUTLIER 60.17 -81.12 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.107 0 C-N-CA 125.356 1.463 . . . . 74.11 110.778 -172.442 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 45.0 t80 . . . . . 0 N--CA 1.468 0.448 0 C-N-CA 123.342 0.657 . . . . 73.42 109.737 177.447 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 . . . . . 0 N--CA 1.466 0.329 0 CA-C-O 121.58 0.705 . . . . 74.04 109.554 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 102' ' ' PHE . . . . . 0.408 ' O ' ' HG ' ' B' ' 105' ' ' LEU . 96.7 m-85 -103.19 -10.15 19.03 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 114.447 -1.251 . . . . 74.54 110.882 178.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 103' ' ' LYS . . . . . 0.475 ' HD3' ' N ' ' B' ' 104' ' ' LYS . 0.0 OUTLIER -60.0 -31.32 69.81 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-O 121.817 0.818 . . . . 73.54 109.557 177.567 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 104' ' ' LYS . . . . . 0.5 ' O ' ' HG2' ' B' ' 108' ' ' GLN . 0.0 OUTLIER -74.93 -33.43 61.97 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-N 114.174 -1.375 . . . . 73.23 110.835 -179.884 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . 0.451 HD13 ' HA ' ' A' ' 6' ' ' TYR . 0.5 OUTLIER -60.04 -41.4 92.2 Favored 'General case' 0 C--N 1.375 1.704 0 N-CA-C 108.022 -1.103 . . . . 65.14 108.022 177.674 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 106' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -59.16 -51.74 68.71 Favored 'General case' 0 C--N 1.368 1.392 0 O-C-N 124.572 1.17 . . . . 72.45 109.417 177.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -59.68 -40.99 89.68 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 113.079 0.77 . . . . 73.21 113.079 -177.091 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 108' ' ' GLN . . . . . 0.5 ' HG2' ' O ' ' B' ' 104' ' ' LYS . 13.8 mm-40 -67.68 -58.97 3.74 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 122.885 0.474 . . . . 75.44 111.225 -176.292 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 19.6 mt -69.55 -36.16 69.76 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.917 0 CA-C-N 115.632 -0.713 . . . . 73.02 110.746 -173.247 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -71.2 -34.26 70.7 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 123.659 0.784 . . . . 75.41 110.344 179.145 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -61.1 -44.36 97.48 Favored 'General case' 0 N--CA 1.486 1.355 0 CA-C-O 120.984 0.421 . . . . 64.31 110.258 174.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 112' ' ' GLU . . . . . 0.449 ' HB3' HD21 ' A' ' 13' ' ' ASN . 4.5 tp10 -66.76 -41.48 87.69 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 115.277 -0.874 . . . . 74.4 110.126 176.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -60.56 -40.08 90.31 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 124.766 1.227 . . . . 75.3 110.842 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -59.61 -52.75 64.2 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.535 1.134 . . . . 73.13 110.072 174.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 14.1 ttpt -56.17 -39.13 71.88 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 114.64 -1.163 . . . . 74.41 110.196 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 116' ' ' LEU . . . . . 0.427 ' HB3' ' HB3' ' A' ' 16' ' ' LEU . 90.5 mt -67.16 -34.43 77.54 Favored 'General case' 0 C--N 1.349 0.577 0 C-N-CA 124.214 1.006 . . . . 74.42 111.9 -179.787 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 49.4 mtmt -72.64 -33.93 66.94 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-O 120.748 0.309 . . . . 75.52 110.948 176.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -73.01 -47.89 41.06 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 115.66 -0.7 . . . . 73.44 110.921 -178.13 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -66.71 -38.43 86.69 Favored 'General case' 0 C--N 1.345 0.382 0 CA-C-N 115.809 -0.632 . . . . 73.41 110.966 -179.183 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 1.7 pp -66.43 -40.65 89.63 Favored 'General case' 0 C--N 1.368 1.395 0 N-CA-C 109.287 -0.635 . . . . 73.43 109.287 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 12.2 t-80 -53.29 -47.79 68.89 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.954 0.901 . . . . 72.42 110.588 176.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 122' ' ' ASP . . . . . 0.437 ' O ' ' HG2' ' B' ' 126' ' ' GLU . 1.2 m-20 -63.33 -52.71 60.72 Favored 'General case' 0 C--O 1.217 -0.643 0 CA-C-N 115.191 -0.913 . . . . 64.33 110.984 177.73 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 123' ' ' THR . . . . . 0.575 HG21 HG23 ' A' ' 23' ' ' THR . 20.7 m -61.7 -27.11 68.47 Favored 'General case' 0 CA--C 1.558 1.259 0 C-N-CA 123.472 0.709 . . . . 74.21 111.748 -179.702 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 124' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -73.96 -48.49 30.08 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.117 0.967 . . . . 74.3 110.115 178.188 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 125' ' ' MET . . . . . . . . . . . . . 27.0 ptm -70.47 -27.52 64.28 Favored 'General case' 0 N--CA 1.475 0.808 0 O-C-N 123.166 0.291 . . . . 74.54 111.086 -178.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 126' ' ' GLU . . . . . 0.496 ' O ' ' HG ' ' B' ' 130' ' ' LEU . 6.9 mm-40 -65.68 -50.46 64.82 Favored 'General case' 0 C--N 1.353 0.74 0 N-CA-C 109.114 -0.698 . . . . 75.41 109.114 171.131 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 127' ' ' LEU . . . . . 0.444 HD22 HG22 ' A' ' 23' ' ' THR . 59.1 tp -56.46 -39.0 72.43 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.973 0.909 . . . . 71.15 111.367 178.761 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 128' ' ' THR . . . . . . . . . . . . . 20.6 m -71.22 -36.41 71.85 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.979 0.911 . . . . 74.14 110.339 178.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -73.89 -29.89 62.31 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.988 0.915 . . . . 73.13 110.592 -179.453 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 130' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' B' ' 126' ' ' GLU . 95.3 mt -71.97 -51.07 23.78 Favored 'General case' 0 C--N 1.351 0.661 0 C-N-CA 123.492 0.717 . . . . 74.21 109.693 179.138 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 131' ' ' LYS . . . . . 0.404 ' HA ' HD21 ' B' ' 134' ' ' LEU . 0.2 OUTLIER -64.72 -29.76 70.76 Favored 'General case' 0 C--N 1.358 0.975 0 O-C-N 123.66 0.6 . . . . 75.22 109.867 178.877 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 38.3 tp -65.39 -37.52 87.22 Favored 'General case' 0 C--N 1.359 0.99 0 C-N-CA 123.523 0.729 . . . . 75.43 109.929 173.181 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 133' ' ' GLN . . . . . 0.539 ' HA ' ' HB2' ' B' ' 136' ' ' LYS . 21.6 mt-30 -79.18 -16.14 57.03 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 123.052 0.541 . . . . 73.22 111.965 177.428 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 134' ' ' LEU . . . . . 0.647 HD22 ' HG ' ' A' ' 34' ' ' LEU . 3.3 mm? -70.16 -44.19 69.33 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 109.703 -0.48 . . . . 73.45 109.703 168.587 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 135' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -76.36 -20.15 57.48 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 115.627 -0.715 . . . . 60.42 111.641 177.589 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 136' ' ' LYS . . . . . 0.539 ' HB2' ' HA ' ' B' ' 133' ' ' GLN . 65.2 mttm -76.72 -36.29 57.26 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 122.963 0.505 . . . . 75.41 110.464 168.801 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -62.85 -46.95 85.52 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.592 0.757 . . . . 62.33 110.859 -179.454 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 138' ' ' THR . . . . . . . . . . . . . 1.8 t -147.79 -63.97 0.26 Allowed 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 123.283 0.633 . . . . 65.21 110.648 -177.161 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -177.91 -20.13 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.81 0 C-N-CA 123.706 0.802 . . . . 62.23 111.362 177.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 140' ' ' ARG . . . . . . . . . . . . . 34.3 ttt180 69.26 160.84 0.2 Allowed 'General case' 0 N--CA 1.492 1.665 0 C-N-CA 124.657 1.183 . . . . 74.45 111.128 -177.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 141' ' ' GLN . . . . . 0.603 HE22 ' HA ' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -68.84 140.76 55.23 Favored 'General case' 0 C--N 1.356 0.873 0 N-CA-C 108.929 -0.767 . . . . 72.33 108.929 174.489 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -95.13 84.25 4.06 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-O 121.418 0.628 . . . . 71.33 110.412 -174.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 143' ' ' ARG . . . . . 0.532 ' HG3' ' HG2' ' B' ' 141' ' ' GLN . 92.8 mtt180 -95.56 -57.18 2.46 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 115.422 -0.808 . . . . 74.43 109.29 173.019 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 144' ' ' PHE . . . . . . . . . . . . . 70.0 t80 . . . . . 0 CA--C 1.553 1.075 0 C-N-CA 123.68 0.792 . . . . 74.23 108.914 -174.2 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.577 ' O ' ' HG3' ' A' ' 4' ' ' LYS . 5.4 m-20 . . . . . 0 C--O 1.212 -0.902 0 CA-C-O 120.454 0.169 . . . . 73.41 111.079 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -60.98 -8.82 3.48 Favored 'General case' 0 N--CA 1.484 1.267 0 N-CA-C 116.235 1.939 . . . . 71.53 116.235 -162.109 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.519 ' HD3' ' N ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -70.2 -33.27 71.5 Favored 'General case' 0 N--CA 1.483 1.202 0 CA-C-N 118.314 0.506 . . . . 74.3 110.443 177.49 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.577 ' HG3' ' O ' ' A' ' 1' ' ' ASP . 0.0 OUTLIER -80.78 -30.59 36.0 Favored 'General case' 0 C--O 1.212 -0.885 0 CA-C-N 115.46 -0.791 . . . . 75.31 110.081 179.298 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 26.5 tp -56.87 -44.69 82.49 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-O 121.481 0.657 . . . . 75.35 110.223 173.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.483 ' HD1' HD13 ' B' ' 105' ' ' LEU . 30.5 t80 -54.31 -49.77 68.89 Favored 'General case' 0 C--N 1.35 0.596 0 CA-C-N 113.983 -1.462 . . . . 75.22 110.42 173.139 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -67.74 -34.72 77.39 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 124.253 1.021 . . . . 71.2 113.202 -176.128 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.445 ' HG2' ' O ' ' A' ' 4' ' ' LYS . 10.9 mm-40 -65.26 -62.45 1.53 Allowed 'General case' 0 N--CA 1.483 1.213 0 CA-C-N 118.079 0.4 . . . . 72.43 111.566 -177.239 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.547 HD13 ' CD1' ' B' ' 106' ' ' TYR . 20.4 mt -58.37 -41.23 80.85 Favored 'Isoleucine or valine' 0 C--N 1.357 0.928 0 O-C-N 123.263 0.352 . . . . 72.14 111.16 178.01 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.505 ' HA ' ' HB3' ' A' ' 13' ' ' ASN . 14.9 tp -70.44 -24.38 62.88 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.1 0.56 . . . . 73.3 112.168 -178.615 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.74 -45.98 76.92 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 122.589 0.355 . . . . 74.05 110.239 173.579 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -76.88 -22.76 52.96 Favored 'General case' 0 C--O 1.216 -0.693 0 CA-C-N 116.102 -0.499 . . . . 72.11 110.62 176.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.505 ' HB3' ' HA ' ' A' ' 10' ' ' LEU . 26.8 t-20 -66.51 -36.91 83.86 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 123.221 0.608 . . . . 62.14 109.438 172.409 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -67.86 -46.15 72.55 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.048 0.939 . . . . 61.15 110.607 171.117 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.4 ttpt -57.75 -44.71 86.3 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.419 0.687 . . . . 73.11 111.0 179.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.454 ' HB3' ' HB3' ' B' ' 116' ' ' LEU . 80.5 mt -70.08 -30.1 67.25 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.141 0.976 . . . . 70.23 110.417 179.351 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.417 ' HA ' HD22 ' A' ' 20' ' ' LEU . 0.3 OUTLIER -69.83 -33.32 72.14 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.508 0.723 . . . . 75.41 109.64 173.676 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.92 -56.97 4.42 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.451 0.701 . . . . 73.32 109.863 -177.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -63.53 -34.64 78.23 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 115.916 -0.583 . . . . 75.12 112.081 -179.198 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.417 HD22 ' HA ' ' A' ' 17' ' ' LYS . 0.6 OUTLIER -65.71 -43.03 90.39 Favored 'General case' 0 N--CA 1.486 1.358 0 N-CA-C 109.262 -0.644 . . . . 74.41 109.262 174.895 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.432 ' O ' ' HG2' ' A' ' 25' ' ' MET . 23.7 t60 -58.08 -45.06 87.77 Favored 'General case' 0 C--N 1.353 0.741 0 O-C-N 124.148 0.905 . . . . 72.54 109.309 -177.708 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -60.84 -46.98 88.44 Favored 'General case' 0 N--CA 1.468 0.465 0 O-C-N 123.926 0.766 . . . . 71.51 110.909 175.467 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.54 HG23 ' ND2' ' B' ' 124' ' ' ASN . 21.5 m -66.15 -29.18 69.42 Favored 'General case' 0 N--CA 1.478 0.945 0 O-C-N 123.606 0.566 . . . . 73.1 111.222 -177.72 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.513 ' ND2' HG22 ' B' ' 123' ' ' THR . 0.9 OUTLIER -75.06 -46.08 37.23 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.706 0.802 . . . . 73.14 109.568 -179.938 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.432 ' HG2' ' O ' ' A' ' 21' ' ' HIS . 32.1 mmt -63.1 -47.91 80.84 Favored 'General case' 0 C--N 1.354 0.77 0 C-N-CA 123.089 0.556 . . . . 65.15 111.073 179.315 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.429 ' O ' ' HB2' ' A' ' 30' ' ' LEU . 12.6 pt-20 -72.3 -24.93 61.4 Favored 'General case' 0 C--O 1.21 -1.024 0 CA-C-O 118.865 -0.588 . . . . 65.31 111.373 -177.359 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.544 HD11 ' HB2' ' B' ' 126' ' ' GLU . 6.7 tt -67.39 -53.5 28.7 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 123.351 0.66 . . . . 74.22 109.484 173.092 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 83.2 m -67.11 -34.79 78.38 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.291 1.036 . . . . 74.3 111.275 -174.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.446 ' O ' ' HG2' ' A' ' 33' ' ' GLN . 6.4 t70 -62.59 -58.38 7.74 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 114.616 -1.175 . . . . 54.31 109.564 172.504 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.806 ' HG ' HD12 ' B' ' 130' ' ' LEU . 21.8 tp -53.4 -38.43 63.4 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.347 1.459 . . . . 72.41 111.028 -178.416 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.524 ' HA ' HD13 ' B' ' 130' ' ' LEU . 40.4 tptt -67.18 -50.18 61.95 Favored 'General case' 0 C--O 1.252 1.229 0 C-N-CA 126.333 1.853 . . . . 74.41 111.808 179.511 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 46.8 tp -59.69 -56.38 22.55 Favored 'General case' 0 C--O 1.246 0.875 0 CA-C-N 115.04 -0.982 . . . . 71.24 110.469 -176.277 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.446 ' HG2' ' O ' ' A' ' 29' ' ' ASP . 4.4 pt20 -65.67 -32.87 74.68 Favored 'General case' 0 CA--C 1.553 1.06 0 CA-C-N 115.336 -0.847 . . . . 55.54 111.562 178.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.563 HD23 HD11 ' B' ' 130' ' ' LEU . 29.0 tp -46.66 -62.89 1.18 Allowed 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 123.628 0.771 . . . . 73.4 109.996 178.562 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -77.86 -14.75 59.46 Favored 'General case' 0 C--N 1.358 0.953 0 O-C-N 125.927 2.017 . . . . 73.33 112.516 -174.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -68.82 -14.21 62.89 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 122.275 -0.266 . . . . 71.35 110.443 162.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 81.37 59.29 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 126.307 1.843 . . . . 65.32 108.32 174.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 13.1 t -78.26 165.38 23.95 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-N 113.648 -1.615 . . . . 74.33 110.608 -177.208 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.486 ' HA ' ' HB ' ' B' ' 138' ' ' THR . 0.0 OUTLIER -107.91 -12.44 15.17 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-O 119.066 -0.492 . . . . 74.04 111.12 178.673 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.88 177.71 4.29 Favored 'General case' 0 N--CA 1.493 1.675 0 CA-C-N 118.482 0.583 . . . . 73.35 110.686 167.352 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.482 ' NE2' ' H ' ' A' ' 41' ' ' GLN . 0.5 OUTLIER -107.52 162.63 13.77 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.335 1.054 . . . . 73.34 111.082 172.919 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -109.01 81.77 1.49 Allowed 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.068 0.947 . . . . 74.01 109.53 178.306 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 91.6 mtt-85 -87.21 -40.96 14.09 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 114.751 -1.113 . . . . 72.43 108.883 171.2 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 88.4 t80 . . . . . 0 N--CA 1.472 0.653 0 C-N-CA 124.673 1.189 . . . . 74.3 109.039 171.947 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 . . . . . 0 N--CA 1.464 0.259 0 CA-C-O 121.224 0.535 . . . . 75.03 109.588 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 102' ' ' PHE . . . . . 0.535 ' HB3' HD22 ' B' ' 105' ' ' LEU . 97.4 m-85 -89.43 1.06 56.37 Favored 'General case' 0 C--O 1.243 0.739 0 CA-C-N 114.887 -1.052 . . . . 73.41 111.978 -174.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.24 -38.96 77.89 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 109.706 -0.479 . . . . 74.11 109.706 173.235 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 104' ' ' LYS . . . . . 0.478 ' O ' ' HG2' ' B' ' 108' ' ' GLN . 0.0 OUTLIER -64.43 -40.04 95.0 Favored 'General case' 0 C--O 1.208 -1.105 0 CA-C-N 115.159 -0.928 . . . . 74.1 109.931 178.61 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . 0.535 HD22 ' HB3' ' B' ' 102' ' ' PHE . 0.0 OUTLIER -55.93 -49.83 72.42 Favored 'General case' 0 C--O 1.253 1.283 0 O-C-N 123.778 0.673 . . . . 75.53 109.342 -178.106 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 106' ' ' TYR . . . . . 0.547 ' CD1' HD13 ' A' ' 9' ' ' ILE . 37.1 t80 -54.15 -48.7 70.57 Favored 'General case' 0 C--N 1.354 0.784 0 O-C-N 124.669 1.231 . . . . 75.51 109.512 179.098 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -67.64 -38.7 84.22 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.218 1.007 . . . . 75.42 113.355 -176.444 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 108' ' ' GLN . . . . . 0.478 ' HG2' ' O ' ' B' ' 104' ' ' LYS . 11.5 mm-40 -69.46 -54.66 13.19 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 122.725 0.41 . . . . 71.44 111.392 -173.786 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 23.5 mt -67.01 -34.7 71.59 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.787 0 O-C-N 123.527 0.517 . . . . 74.31 110.106 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -68.0 -34.36 76.37 Favored 'General case' 0 N--CA 1.491 1.591 0 C-N-CA 122.979 0.511 . . . . 72.44 110.839 176.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -67.95 -34.63 76.95 Favored 'General case' 0 N--CA 1.486 1.352 0 CA-C-O 120.943 0.402 . . . . 74.34 110.721 175.284 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 112' ' ' GLU . . . . . 0.453 ' O ' ' HG ' ' B' ' 116' ' ' LEU . 29.3 tp10 -74.18 -38.04 63.77 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 115.758 -0.655 . . . . 75.54 110.04 177.16 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -67.46 -39.11 85.31 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.322 1.449 . . . . 74.13 109.187 178.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 114' ' ' GLU . . . . . 0.45 ' HA ' ' HE3' ' B' ' 117' ' ' LYS . 0.9 OUTLIER -58.5 -50.85 72.27 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 125.283 1.433 . . . . 65.45 109.097 174.875 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 15.1 ttpt -55.31 -37.83 67.9 Favored 'General case' 0 C--N 1.349 0.556 0 CA-C-N 114.263 -1.335 . . . . 75.2 109.963 179.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 116' ' ' LEU . . . . . 0.454 ' HB3' ' HB3' ' A' ' 16' ' ' LEU . 93.9 mt -66.57 -33.62 76.09 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 115.268 -0.878 . . . . 73.14 112.577 179.274 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . 0.45 ' HE3' ' HA ' ' B' ' 114' ' ' GLU . 0.0 OUTLIER -67.88 -37.25 81.55 Favored 'General case' 0 N--CA 1.499 1.996 0 CA-C-N 118.442 0.565 . . . . 74.02 111.264 172.511 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -69.94 -49.65 49.83 Favored 'General case' 0 C--O 1.242 0.683 0 CA-C-N 116.121 -0.49 . . . . 72.52 110.601 -177.166 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -67.57 -39.21 84.91 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 115.332 -0.849 . . . . 63.55 110.956 -176.63 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 1.7 pp -65.87 -40.36 91.55 Favored 'General case' 0 C--N 1.37 1.47 0 N-CA-C 109.38 -0.6 . . . . 74.15 109.38 -179.269 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 121' ' ' HIS . . . . . 0.436 ' O ' ' HG2' ' B' ' 125' ' ' MET . 61.3 t60 -57.16 -46.83 82.42 Favored 'General case' 0 C--N 1.356 0.867 0 O-C-N 124.193 0.933 . . . . 64.34 109.752 178.456 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 122' ' ' ASP . . . . . 0.509 ' O ' ' HG3' ' B' ' 126' ' ' GLU . 22.2 t70 -70.08 -39.57 75.52 Favored 'General case' 0 N--CA 1.475 0.777 0 O-C-N 123.777 0.673 . . . . 72.42 111.387 -178.29 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 123' ' ' THR . . . . . 0.513 HG22 ' ND2' ' A' ' 24' ' ' ASN . 26.8 m -65.16 -32.13 73.67 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.398 0.679 . . . . 74.1 110.148 178.463 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 124' ' ' ASN . . . . . 0.54 ' ND2' HG23 ' A' ' 23' ' ' THR . 1.0 OUTLIER -72.76 -35.81 67.55 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 115.694 -0.685 . . . . 73.44 110.408 175.576 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 125' ' ' MET . . . . . 0.436 ' HG2' ' O ' ' B' ' 121' ' ' HIS . 83.0 mmm -64.9 -38.9 92.52 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.119 0.568 . . . . 73.24 111.594 176.804 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 126' ' ' GLU . . . . . 0.544 ' HB2' HD11 ' A' ' 27' ' ' LEU . 23.8 mt-10 -66.34 -44.73 82.46 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 109.203 -0.666 . . . . 74.22 109.203 175.533 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 127' ' ' LEU . . . . . 0.514 HD21 HG21 ' A' ' 23' ' ' THR . 45.9 tp -62.39 -37.16 84.7 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.906 1.283 . . . . 72.45 111.7 179.388 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 128' ' ' THR . . . . . . . . . . . . . 98.8 m -71.44 -43.86 65.91 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.68 0.792 . . . . 71.01 109.841 -179.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -65.16 -34.34 78.15 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 115.602 -0.726 . . . . 75.1 110.139 176.481 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 130' ' ' LEU . . . . . 0.806 HD12 ' HG ' ' A' ' 30' ' ' LEU . 0.2 OUTLIER -72.21 -47.67 48.76 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 115.548 -0.751 . . . . 74.24 109.941 -175.934 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 131' ' ' LYS . . . . . 0.4 ' HA ' ' HB2' ' B' ' 134' ' ' LEU . 0.5 OUTLIER -69.23 -23.62 63.9 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 109.882 -0.414 . . . . 74.24 109.882 -179.857 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 40.4 tp -70.86 -43.74 67.84 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 123.438 0.695 . . . . 73.44 109.69 172.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 133' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -63.73 -30.49 71.59 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.159 0.583 . . . . 74.32 109.98 173.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 134' ' ' LEU . . . . . 0.54 ' O ' HG21 ' B' ' 138' ' ' THR . 0.2 OUTLIER -66.38 -52.93 41.8 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.067 0.947 . . . . 70.42 108.635 -177.658 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 135' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -73.44 -7.08 50.24 Favored 'General case' 0 CA--C 1.552 1.045 0 CA-C-N 115.659 -0.7 . . . . 71.4 111.237 177.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -89.41 -27.18 20.59 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 122.961 0.504 . . . . 71.13 111.086 165.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -83.68 -15.48 48.62 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 123.482 0.713 . . . . 75.24 111.1 179.256 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 138' ' ' THR . . . . . 0.54 HG21 ' O ' ' B' ' 134' ' ' LEU . 14.0 t -136.92 163.98 29.4 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.773 0.829 . . . . 72.41 111.341 179.594 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 3.8 pp0? -81.9 -22.16 36.98 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.539 0.736 . . . . 71.5 109.816 171.274 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 140' ' ' ARG . . . . . . . . . . . . . 21.5 tpp180 -69.74 169.48 12.85 Favored 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 125.144 1.378 . . . . 75.44 110.729 -178.163 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 75.44 -77.93 0.05 OUTLIER 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.175 1.39 . . . . 74.43 110.805 175.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 33.13 76.42 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.783 0 C-N-CA 126.17 1.788 . . . . 74.32 114.059 -179.328 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -101.86 -72.58 0.68 Allowed 'General case' 0 C--O 1.241 0.635 0 C-N-CA 123.039 0.536 . . . . 74.44 110.56 -177.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 144' ' ' PHE . . . . . . . . . . . . . 44.6 t80 . . . . . 0 CA--C 1.551 1.017 0 N-CA-C 108.704 -0.85 . . . . 74.1 108.704 -173.436 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.481 1.102 0 CA-C-O 120.515 0.198 . . . . 64.13 111.369 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -86.62 -18.8 30.47 Favored 'General case' 0 C--O 1.239 0.52 0 N-CA-C 113.243 0.831 . . . . 65.14 113.243 -174.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.45 -38.25 55.71 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 109.015 -0.735 . . . . 75.23 109.015 179.664 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.456 ' O ' ' HG2' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -75.62 -29.55 59.25 Favored 'General case' 0 C--O 1.214 -0.781 0 CA-C-N 114.863 -1.062 . . . . 73.02 109.181 176.677 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 30.7 tp -54.47 -48.75 71.43 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.501 0.721 . . . . 74.32 110.467 174.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -56.5 -43.04 79.32 Favored 'General case' 0 C--N 1.354 0.771 0 O-C-N 124.532 1.145 . . . . 74.12 110.576 176.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -66.37 -39.77 89.31 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 123.976 0.91 . . . . 72.32 112.448 178.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.456 ' HG2' ' O ' ' A' ' 4' ' ' LYS . 13.3 mm-40 -65.07 -59.1 4.5 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 122.919 0.488 . . . . 72.14 111.519 -174.48 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.5 mt -58.96 -49.56 82.76 Favored 'Isoleucine or valine' 0 C--N 1.352 0.71 0 O-C-N 124.12 0.888 . . . . 62.03 110.38 -178.313 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.5 ' HA ' ' HB3' ' A' ' 13' ' ' ASN . 20.1 tp -70.62 -26.0 63.29 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 124.474 1.108 . . . . 73.45 112.623 -173.141 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.95 -51.34 69.69 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 122.582 0.353 . . . . 73.21 110.057 171.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.453 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 4.4 tp10 -65.27 -45.14 85.72 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-N 115.932 -0.576 . . . . 74.0 110.3 177.113 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.5 ' HB3' ' HA ' ' A' ' 10' ' ' LEU . 24.3 t-20 -57.89 -43.67 86.24 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 125.287 1.435 . . . . 73.14 110.692 -175.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.461 ' HA ' ' HE3' ' A' ' 17' ' ' LYS . 2.5 tt0 -61.63 -53.0 62.01 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 123.83 0.852 . . . . 72.3 110.049 176.342 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.7 ttpt -50.04 -41.18 47.06 Favored 'General case' 0 C--N 1.356 0.851 0 O-C-N 124.478 1.111 . . . . 75.11 110.586 176.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.464 ' HB3' ' HB3' ' B' ' 116' ' ' LEU . 96.0 mt -65.15 -34.31 78.08 Favored 'General case' 0 C--N 1.35 0.627 0 O-C-N 124.242 0.964 . . . . 73.43 111.796 -177.808 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.461 ' HE3' ' HA ' ' A' ' 14' ' ' GLU . 0.0 OUTLIER -67.48 -35.45 79.2 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 122.388 0.275 . . . . 74.13 111.343 172.267 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.99 -58.6 3.65 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 116.329 -0.396 . . . . 71.14 110.208 -177.233 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -62.61 -32.56 73.59 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.866 0.867 . . . . 75.1 112.343 -177.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.433 ' HB3' HE21 ' B' ' 119' ' ' GLN . 1.3 pp -66.4 -43.58 85.4 Favored 'General case' 0 C--N 1.361 1.105 0 N-CA-C 108.711 -0.848 . . . . 72.11 108.711 174.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 54.2 t60 -62.75 -34.75 77.86 Favored 'General case' 0 C--N 1.356 0.848 0 O-C-N 123.534 0.521 . . . . 73.1 110.338 -175.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -62.65 -56.65 15.78 Favored 'General case' 0 N--CA 1.476 0.863 0 O-C-N 124.24 0.962 . . . . 74.44 110.256 171.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.509 HG22 HG22 ' B' ' 123' ' ' THR . 16.2 m -67.27 -26.24 66.46 Favored 'General case' 0 CA--C 1.549 0.938 0 O-C-N 123.672 0.607 . . . . 74.35 112.163 -174.281 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.527 ' ND2' HG23 ' B' ' 123' ' ' THR . 1.0 OUTLIER -78.09 -48.27 16.42 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.699 0.8 . . . . 72.1 109.371 -179.124 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 25.4 ptt? -68.22 -39.55 82.33 Favored 'General case' 0 C--N 1.358 0.96 0 O-C-N 123.515 0.509 . . . . 74.41 109.954 -177.025 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.445 ' O ' ' HB2' ' A' ' 30' ' ' LEU . 16.3 pt-20 -75.41 -28.7 59.5 Favored 'General case' 0 C--N 1.357 0.927 0 CA-C-O 119.006 -0.521 . . . . 74.23 110.073 -177.825 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 66.6 tp -64.47 -43.47 94.11 Favored 'General case' 0 C--N 1.355 0.818 0 C-N-CA 122.815 0.446 . . . . 71.45 110.259 169.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 68.7 m -61.16 -48.96 79.18 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.38 0.672 . . . . 74.2 110.336 -179.036 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -58.95 -44.57 91.46 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.542 0.737 . . . . 73.04 110.745 173.07 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.455 HD12 HE22 ' A' ' 33' ' ' GLN . 13.3 tp -69.04 -40.15 78.77 Favored 'General case' 0 C--N 1.357 0.908 0 O-C-N 123.686 0.617 . . . . 75.11 110.828 -169.783 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.3 -34.45 61.29 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 122.516 0.326 . . . . 74.35 110.857 -178.606 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 28.3 tp -58.64 -58.46 8.45 Favored 'General case' 0 C--N 1.355 0.812 0 O-C-N 124.687 1.242 . . . . 74.4 110.058 -179.091 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.501 HE21 HD12 ' B' ' 134' ' ' LEU . 4.7 pp0? -70.45 -33.83 71.75 Favored 'General case' 0 C--O 1.24 0.554 0 CA-C-N 115.032 -0.985 . . . . 74.24 111.358 -177.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.412 HD22 HD21 ' B' ' 134' ' ' LEU . 1.3 tm? -52.31 -58.07 7.8 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-O 118.272 -0.87 . . . . 74.35 110.188 -178.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.0 -19.88 61.12 Favored 'General case' 0 C--N 1.361 1.102 0 O-C-N 126.293 2.246 . . . . 75.04 112.78 -177.746 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 52.7 mtpt -62.75 -17.81 61.57 Favored 'General case' 0 N--CA 1.496 1.842 0 CA-C-N 118.08 0.4 . . . . 74.42 110.456 161.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 82.75 60.86 0.01 OUTLIER 'General case' 0 CA--C 1.506 -0.74 0 C-N-CA 126.198 1.799 . . . . 74.22 109.157 169.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.428 HG22 ' O ' ' A' ' 33' ' ' GLN . 14.8 t -153.59 177.93 10.39 Favored 'General case' 0 N--CA 1.495 1.805 0 CA-C-N 113.966 -1.47 . . . . 74.34 111.837 -174.424 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.46 ' HG3' ' N ' ' A' ' 40' ' ' ARG . 3.1 pt20 -90.08 -48.54 7.12 Favored 'General case' 0 C--N 1.358 0.945 0 C-N-CA 123.642 0.777 . . . . 74.55 111.148 178.005 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.51 ' HG3' ' N ' ' A' ' 41' ' ' GLN . 9.4 tpt180 59.51 174.23 0.08 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 124.584 1.178 . . . . 72.23 110.626 -166.496 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.51 ' N ' ' HG3' ' A' ' 40' ' ' ARG . 0.0 OUTLIER 58.65 166.51 0.05 OUTLIER 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 126.151 1.78 . . . . 71.21 114.76 165.776 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -166.96 70.06 0.1 Allowed 'General case' 0 C--O 1.241 0.613 0 CA-C-N 113.839 -1.528 . . . . 72.31 107.446 177.093 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 63.4 mtt180 -60.56 -43.75 96.93 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 114.561 -1.199 . . . . 74.42 110.385 178.155 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 83.3 t80 . . . . . 0 N--CA 1.479 0.977 0 CA-C-N 115.394 -0.821 . . . . 75.13 109.037 171.169 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 . . . . . 0 N--CA 1.47 0.545 0 CA-C-O 120.847 0.356 . . . . 75.31 111.113 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 102' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -95.65 -20.11 19.2 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.549 0.74 . . . . 71.52 111.701 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.28 -38.32 73.76 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.386 0.612 . . . . 74.33 109.658 176.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 104' ' ' LYS . . . . . 0.465 ' O ' ' HG2' ' B' ' 108' ' ' GLN . 0.0 OUTLIER -76.15 -31.35 58.53 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-N 114.953 -1.021 . . . . 75.51 110.565 -178.088 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.22 -43.74 92.29 Favored 'General case' 0 C--N 1.372 1.564 0 N-CA-C 108.046 -1.094 . . . . 64.13 108.046 177.585 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 106' ' ' TYR . . . . . . . . . . . . . 30.9 t80 -57.31 -52.9 63.47 Favored 'General case' 0 C--N 1.369 1.442 0 O-C-N 124.562 1.164 . . . . 71.55 109.16 178.078 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 52.3 mm-40 -63.28 -40.52 97.61 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 124.372 1.045 . . . . 75.15 113.322 -174.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 108' ' ' GLN . . . . . 0.465 ' HG2' ' O ' ' B' ' 104' ' ' LYS . 10.1 mm-40 -66.75 -56.63 9.65 Favored 'General case' 0 N--CA 1.485 1.278 0 O-C-N 123.212 0.32 . . . . 74.35 110.54 -175.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 21.4 mt -67.6 -37.51 78.86 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.798 0 O-C-N 123.696 0.623 . . . . 64.45 110.608 -175.273 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -70.99 -34.83 71.77 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 123.536 0.734 . . . . 71.34 110.657 -178.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -66.68 -41.24 88.41 Favored 'General case' 0 N--CA 1.482 1.173 0 CA-C-N 117.797 0.271 . . . . 63.45 110.476 177.356 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 112' ' ' GLU . . . . . 0.458 ' O ' ' HG ' ' B' ' 116' ' ' LEU . 6.3 tp10 -64.65 -45.56 86.23 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 115.816 -0.629 . . . . 74.13 109.41 174.479 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -57.8 -43.18 85.47 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 125.152 1.381 . . . . 72.44 110.587 -178.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 114' ' ' GLU . . . . . 0.432 ' HA ' ' HE3' ' B' ' 117' ' ' LYS . 4.7 tt0 -57.99 -51.83 68.03 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.642 1.177 . . . . 62.12 110.349 176.777 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 19.6 ttpt -55.18 -39.96 70.16 Favored 'General case' 0 C--N 1.351 0.667 0 O-C-N 124.586 1.179 . . . . 75.1 110.299 177.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 116' ' ' LEU . . . . . 0.464 ' HB3' ' HB3' ' A' ' 16' ' ' LEU . 90.6 mt -65.99 -33.56 76.1 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 124.11 0.881 . . . . 70.41 112.009 -176.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . 0.432 ' HE3' ' HA ' ' B' ' 114' ' ' GLU . 0.0 OUTLIER -69.73 -39.68 76.65 Favored 'General case' 0 N--CA 1.487 1.423 0 CA-C-N 118.135 0.425 . . . . 74.12 110.656 173.057 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -66.6 -46.08 77.1 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.219 0.608 . . . . 73.42 110.9 -176.328 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 119' ' ' GLN . . . . . 0.433 HE21 ' HB3' ' A' ' 20' ' ' LEU . 5.1 pp0? -71.16 -39.84 71.67 Favored 'General case' 0 C--N 1.345 0.387 0 CA-C-N 115.265 -0.88 . . . . 75.32 111.039 -176.243 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.5 -38.69 81.18 Favored 'General case' 0 C--N 1.36 1.052 0 N-CA-C 108.999 -0.741 . . . . 73.22 108.999 -179.139 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 15.3 t60 -56.58 -48.14 78.03 Favored 'General case' 0 C--N 1.359 1.002 0 O-C-N 124.039 0.837 . . . . 74.5 109.548 178.247 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -58.63 -54.25 49.19 Favored 'General case' 0 C--N 1.349 0.563 0 O-C-N 124.5 1.125 . . . . 73.42 110.505 176.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 123' ' ' THR . . . . . 0.527 HG23 ' ND2' ' A' ' 24' ' ' ASN . 18.6 m -65.45 -26.81 68.12 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 123.5 0.72 . . . . 75.22 111.978 -174.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 124' ' ' ASN . . . . . 0.415 ' ND2' HG23 ' A' ' 23' ' ' THR . 0.9 OUTLIER -73.21 -44.9 58.92 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 109.318 -0.623 . . . . 73.24 109.318 176.365 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 125' ' ' MET . . . . . 0.518 ' HA ' ' HE1' ' B' ' 125' ' ' MET . 11.7 mmt -68.47 -25.27 64.9 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.243 0.617 . . . . 74.31 111.611 176.771 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -66.8 -49.26 66.41 Favored 'General case' 0 C--N 1.352 0.698 0 N-CA-C 108.839 -0.8 . . . . 74.44 108.839 170.078 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 127' ' ' LEU . . . . . 0.47 HD21 HG21 ' A' ' 23' ' ' THR . 32.2 tp -63.87 -31.82 73.12 Favored 'General case' 0 CA--C 1.554 1.132 0 C-N-CA 124.274 1.03 . . . . 73.55 111.011 -179.241 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 128' ' ' THR . . . . . . . . . . . . . 47.0 m -73.65 -45.88 50.03 Favored 'General case' 0 C--N 1.356 0.867 0 C-N-CA 124.118 0.967 . . . . 74.42 109.764 178.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -58.88 -42.74 90.21 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.03 0.932 . . . . 73.52 110.127 175.427 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -67.66 -40.92 84.46 Favored 'General case' 0 C--O 1.226 -0.158 0 CA-C-N 115.42 -0.809 . . . . 75.43 111.399 -177.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.78 -28.86 67.16 Favored 'General case' 0 CA--C 1.556 1.207 0 N-CA-C 109.185 -0.672 . . . . 74.2 109.185 179.667 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 132' ' ' LEU . . . . . 0.412 ' O ' ' HG3' ' B' ' 136' ' ' LYS . 59.0 tp -68.57 -41.53 79.59 Favored 'General case' 0 C--N 1.357 0.934 0 C-N-CA 123.597 0.759 . . . . 74.33 110.259 171.329 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 133' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -66.7 -32.79 74.33 Favored 'General case' 0 N--CA 1.479 0.988 0 O-C-N 122.255 -0.278 . . . . 73.55 110.437 177.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 134' ' ' LEU . . . . . 0.501 HD12 HE21 ' A' ' 33' ' ' GLN . 1.9 mm? -62.27 -52.86 62.01 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.483 0.713 . . . . 73.41 110.51 178.715 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 135' ' ' GLU . . . . . 0.559 ' HB3' ' HD3' ' B' ' 140' ' ' ARG . 12.1 pt-20 -66.01 -22.77 66.47 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 111.903 0.335 . . . . 74.44 111.903 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 136' ' ' LYS . . . . . 0.571 ' HB3' ' HZ3' ' B' ' 136' ' ' LYS . 9.2 mtpm? -70.74 -38.79 73.56 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 122.924 0.49 . . . . 74.42 111.515 170.759 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -84.92 -26.02 27.52 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 123.447 0.699 . . . . 73.22 112.451 -176.315 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 138' ' ' THR . . . . . . . . . . . . . 9.9 t -167.68 -158.51 0.27 Allowed 'General case' 0 CA--C 1.559 1.313 0 C-N-CA 123.889 0.876 . . . . 73.32 109.181 -166.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -91.45 -10.68 40.04 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.641 0.776 . . . . 64.42 112.62 -177.419 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 140' ' ' ARG . . . . . 0.559 ' HD3' ' HB3' ' B' ' 135' ' ' GLU . 21.8 ptt-85 61.72 -179.17 0.12 Allowed 'General case' 0 N--CA 1.507 2.391 0 C-N-CA 126.353 1.861 . . . . 71.04 114.047 177.194 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 141' ' ' GLN . . . . . 0.473 ' HG3' ' HG3' ' B' ' 143' ' ' ARG . 10.6 pt20 -88.55 159.86 17.72 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 114.841 -1.072 . . . . 74.33 110.718 173.017 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -104.4 46.93 0.89 Allowed 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 115.338 -0.846 . . . . 71.24 111.051 -167.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 143' ' ' ARG . . . . . 0.473 ' HG3' ' HG3' ' B' ' 141' ' ' GLN . 14.4 mtp180 -64.74 -55.42 19.94 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 108.242 -1.022 . . . . 75.15 108.242 169.109 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 144' ' ' PHE . . . . . . . . . . . . . 57.6 t80 . . . . . 0 C--O 1.248 1.003 0 CA-C-N 113.517 -1.674 . . . . 75.45 106.537 175.255 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 . . . . . 0 N--CA 1.482 1.138 0 N-CA-C 111.876 0.325 . . . . 74.43 111.876 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -56.22 -15.37 3.74 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 114.901 1.445 . . . . 74.31 114.901 -176.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.35 -41.33 80.87 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-N 119.028 0.831 . . . . 75.54 109.768 173.415 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.435 ' O ' ' HG2' ' A' ' 8' ' ' GLN . 0.1 OUTLIER -74.37 -24.72 59.2 Favored 'General case' 0 C--N 1.358 0.976 0 CA-C-O 118.793 -0.622 . . . . 74.11 110.018 178.776 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 34.8 tp -53.82 -47.85 70.47 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 122.648 0.379 . . . . 73.31 110.464 172.382 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -54.38 -50.96 66.28 Favored 'General case' 0 C--N 1.353 0.732 0 O-C-N 124.425 1.078 . . . . 73.43 109.949 175.043 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -59.32 -35.08 73.16 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.44 1.096 . . . . 65.01 112.772 -179.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.435 ' HG2' ' O ' ' A' ' 4' ' ' LYS . 11.9 mm-40 -66.32 -62.71 1.33 Allowed 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 122.952 0.501 . . . . 75.25 111.714 -177.365 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.423 HD11 ' CD2' ' B' ' 106' ' ' TYR . 3.2 mt -59.28 -43.63 90.35 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.954 0 O-C-N 123.853 0.72 . . . . 70.42 111.076 178.62 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.99 -31.68 72.41 Favored 'General case' 0 N--CA 1.49 1.575 0 C-N-CA 123.826 0.85 . . . . 62.4 110.976 -176.569 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.72 -43.37 98.98 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-O 121.053 0.454 . . . . 71.31 109.862 174.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.444 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 2.3 tp10 -69.66 -37.09 76.58 Favored 'General case' 0 C--O 1.213 -0.817 0 CA-C-N 114.984 -1.007 . . . . 74.43 110.787 175.83 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -66.45 -45.22 80.54 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 124.874 1.27 . . . . 75.53 110.821 -173.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -67.29 -45.22 77.22 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 114.713 -1.131 . . . . 64.35 110.57 176.118 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.7 ttpt -52.58 -43.69 65.43 Favored 'General case' 0 CA--C 1.549 0.907 0 O-C-N 123.707 0.629 . . . . 74.12 110.585 173.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 12' ' ' GLU . 94.6 mt -69.75 -32.05 70.35 Favored 'General case' 0 C--N 1.356 0.864 0 C-N-CA 123.91 0.884 . . . . 73.34 111.161 -179.693 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.411 ' HB3' ' HE3' ' A' ' 17' ' ' LYS . 0.2 OUTLIER -68.48 -33.6 74.45 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 123.447 0.699 . . . . 74.41 110.231 174.302 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.56 -52.03 14.91 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.409 0.683 . . . . 72.35 110.922 -177.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -66.9 -36.61 82.67 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.269 0.628 . . . . 64.2 112.113 -179.21 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.26 -45.41 88.21 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 109.047 -0.723 . . . . 73.54 109.047 176.148 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 45.6 t-80 -60.2 -42.94 96.15 Favored 'General case' 0 C--N 1.35 0.62 0 O-C-N 124.167 0.917 . . . . 72.33 109.987 -175.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -69.87 -37.45 76.1 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 115.708 -0.678 . . . . 74.43 111.296 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.515 ' HA ' ' HG2' ' A' ' 26' ' ' GLU . 16.2 m -72.97 -29.58 63.17 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 122.594 0.358 . . . . 74.12 110.458 178.308 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.505 ' ND2' HG23 ' B' ' 123' ' ' THR . 0.9 OUTLIER -71.08 -43.88 66.85 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 109.202 -0.666 . . . . 72.35 109.202 177.774 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.504 ' HA ' ' HE1' ' A' ' 25' ' ' MET . 15.8 mmt -63.36 -50.07 71.38 Favored 'General case' 0 C--N 1.346 0.456 0 CA-C-N 116.233 -0.44 . . . . 74.34 111.109 178.099 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.515 ' HG2' ' HA ' ' A' ' 23' ' ' THR . 12.8 pt-20 -68.36 -27.03 65.89 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-O 119.31 -0.376 . . . . 71.45 111.157 -177.743 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 63.3 tp -70.52 -40.88 73.24 Favored 'General case' 0 C--N 1.356 0.868 0 C-N-CA 123.361 0.664 . . . . 63.55 110.636 173.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 87.7 m -63.83 -43.99 94.56 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.294 0.638 . . . . 72.54 109.849 177.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.491 ' O ' ' HG3' ' A' ' 33' ' ' GLN . 5.5 m-20 -59.91 -52.18 66.52 Favored 'General case' 0 C--N 1.345 0.407 0 CA-C-N 115.131 -0.941 . . . . 64.54 109.64 173.354 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.482 HD13 ' HB3' ' B' ' 130' ' ' LEU . 0.3 OUTLIER -64.74 -41.6 95.81 Favored 'General case' 0 C--O 1.207 -1.159 0 O-C-N 123.653 0.596 . . . . 71.35 109.449 -170.711 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.405 ' HA ' HD13 ' B' ' 130' ' ' LEU . 0.0 OUTLIER -69.15 -36.77 77.77 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 110.126 -0.324 . . . . 72.41 110.126 -176.151 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.4 ' O ' ' HG2' ' A' ' 35' ' ' GLU . 39.7 tp -66.56 -56.52 10.41 Favored 'General case' 0 C--N 1.356 0.879 0 O-C-N 123.83 0.706 . . . . 74.25 110.766 179.584 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.491 ' HG3' ' O ' ' A' ' 29' ' ' ASP . 0.4 OUTLIER -65.82 -34.23 77.68 Favored 'General case' 0 C--O 1.25 1.08 0 O-C-N 122.242 -0.286 . . . . 73.11 111.532 -179.143 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.5 HD21 ' HA ' ' B' ' 134' ' ' LEU . 0.6 OUTLIER -53.56 -60.93 2.68 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-O 118.179 -0.915 . . . . 72.54 109.733 178.578 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 12.7 pt-20 -63.74 -28.04 69.61 Favored 'General case' 0 N--CA 1.481 1.124 0 O-C-N 126.413 2.32 . . . . 75.23 112.039 -176.562 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.422 ' HD3' ' HA ' ' A' ' 33' ' ' GLN . 59.5 mtpt -68.02 -12.38 60.69 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 123.273 0.629 . . . . 71.23 110.993 170.343 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 81.9 52.8 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 126.185 1.794 . . . . 74.23 108.314 170.507 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 6.1 t -79.17 -174.62 4.21 Favored 'General case' 0 N--CA 1.487 1.401 0 CA-C-N 113.568 -1.651 . . . . 75.23 112.77 -168.196 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.0 pm0 -126.83 -41.68 1.81 Allowed 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.624 1.17 . . . . 60.4 109.681 170.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 24.5 ptt180 -127.69 -176.58 3.81 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-O 121.511 0.672 . . . . 74.23 110.409 -174.261 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.426 ' HB3' ' OE1' ' A' ' 33' ' ' GLN . 0.0 OUTLIER -146.3 -179.05 6.47 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.015 1.326 . . . . 74.2 108.266 175.09 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -112.5 74.93 0.89 Allowed 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 108.291 -1.003 . . . . 75.3 108.291 173.004 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.443 ' HE ' ' HA ' ' A' ' 43' ' ' ARG . 0.1 OUTLIER -133.51 -51.68 0.87 Allowed 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 114.506 -1.225 . . . . 70.43 109.66 -174.725 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 48.4 t80 . . . . . 0 N--CA 1.476 0.847 0 C-N-CA 123.323 0.649 . . . . 75.13 109.867 176.459 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 101' ' ' ASP . . . . . 0.404 ' O ' ' HG3' ' B' ' 104' ' ' LYS . 8.5 m-20 . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 121.632 0.73 . . . . 75.53 109.656 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 102' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -81.52 -8.77 59.77 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.486 1.114 . . . . 75.4 112.731 -168.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 103' ' ' LYS . . . . . 0.528 ' HZ3' ' HB3' ' B' ' 103' ' ' LYS . 0.0 OUTLIER -58.62 -36.79 74.62 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 109.793 -0.447 . . . . 73.12 109.793 176.184 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 104' ' ' LYS . . . . . 0.43 ' O ' ' HG2' ' B' ' 108' ' ' GLN . 0.0 OUTLIER -68.47 -35.04 76.99 Favored 'General case' 0 C--N 1.361 1.068 0 CA-C-O 118.559 -0.734 . . . . 75.43 110.835 179.11 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.3 -39.66 95.2 Favored 'General case' 0 C--N 1.369 1.455 0 N-CA-C 108.399 -0.963 . . . . 75.05 108.399 -179.118 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 106' ' ' TYR . . . . . 0.423 ' CD2' HD11 ' A' ' 9' ' ' ILE . 34.1 t80 -61.79 -42.62 99.23 Favored 'General case' 0 C--N 1.359 0.979 0 O-C-N 124.102 0.876 . . . . 74.44 109.161 176.12 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -63.2 -45.3 92.37 Favored 'General case' 0 C--O 1.213 -0.823 0 C-N-CA 123.088 0.555 . . . . 74.12 111.386 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 108' ' ' GLN . . . . . 0.43 ' HG2' ' O ' ' B' ' 104' ' ' LYS . 14.3 mm-40 -67.3 -57.5 6.54 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 122.484 0.313 . . . . 62.04 111.169 -172.485 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 13.9 mt -71.53 -38.18 66.84 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.831 0 CA-C-N 115.513 -0.767 . . . . 73.34 111.011 -172.291 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 110' ' ' LEU . . . . . 0.425 ' HA ' ' HB3' ' B' ' 113' ' ' ASN . 1.5 tm? -74.61 -31.9 62.16 Favored 'General case' 0 N--CA 1.493 1.682 0 C-N-CA 123.005 0.522 . . . . 75.33 110.282 -178.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.89 -44.99 87.83 Favored 'General case' 0 N--CA 1.483 1.211 0 CA-C-O 120.961 0.41 . . . . 71.31 109.901 173.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 112' ' ' GLU . . . . . 0.482 ' O ' ' HG ' ' B' ' 116' ' ' LEU . 38.4 tp10 -63.32 -39.82 95.63 Favored 'General case' 0 C--O 1.209 -1.076 0 CA-C-N 115.005 -0.998 . . . . 74.43 110.538 173.548 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 113' ' ' ASN . . . . . 0.425 ' HB3' ' HA ' ' B' ' 110' ' ' LEU . 24.0 t-20 -63.48 -38.24 90.36 Favored 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 124.709 1.204 . . . . 74.23 110.954 -178.476 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -67.24 -44.97 78.11 Favored 'General case' 0 C--O 1.243 0.743 0 C-N-CA 124.153 0.981 . . . . 62.43 110.11 175.023 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 20.7 ttpt -56.97 -43.01 81.19 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 115.664 -0.698 . . . . 74.13 109.908 174.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 116' ' ' LEU . . . . . 0.482 ' HG ' ' O ' ' B' ' 112' ' ' GLU . 97.8 mt -65.26 -36.92 85.59 Favored 'General case' 0 C--N 1.353 0.76 0 O-C-N 124.276 0.985 . . . . 64.35 110.82 -179.09 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.96 -42.09 97.39 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 123.673 0.789 . . . . 73.34 109.895 177.026 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -75.18 -38.89 60.66 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 115.9 -0.591 . . . . 73.22 111.683 -175.002 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -74.89 -38.53 61.85 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 122.984 0.514 . . . . 72.52 111.059 -177.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 2.9 pp -64.79 -39.04 92.94 Favored 'General case' 0 C--N 1.367 1.343 0 N-CA-C 108.659 -0.867 . . . . 75.14 108.659 177.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 12.2 t60 -57.27 -49.68 75.3 Favored 'General case' 0 C--N 1.355 0.805 0 O-C-N 124.522 1.139 . . . . 72.41 109.224 178.116 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 122' ' ' ASP . . . . . 0.488 ' O ' ' HG2' ' B' ' 126' ' ' GLU . 26.6 t70 -59.66 -48.12 82.93 Favored 'General case' 0 C--N 1.351 0.647 0 O-C-N 124.505 1.128 . . . . 73.35 110.761 179.038 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 123' ' ' THR . . . . . 0.505 HG23 ' ND2' ' A' ' 24' ' ' ASN . 27.0 m -67.09 -33.41 75.43 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.676 0.79 . . . . 72.35 111.416 -175.613 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 124' ' ' ASN . . . . . 0.458 ' ND2' HG22 ' A' ' 23' ' ' THR . 0.9 OUTLIER -71.23 -38.18 72.0 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.344 0.658 . . . . 73.43 109.454 176.179 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 125' ' ' MET . . . . . . . . . . . . . 1.5 mmt -69.46 -32.19 70.95 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.546 0.739 . . . . 74.53 111.656 176.556 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 126' ' ' GLU . . . . . 0.488 ' HG2' ' O ' ' B' ' 122' ' ' ASP . 11.7 mm-40 -64.66 -45.38 86.99 Favored 'General case' 0 C--O 1.215 -0.738 0 N-CA-C 108.651 -0.87 . . . . 74.12 108.651 173.366 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 37.0 tp -66.13 -33.69 76.35 Favored 'General case' 0 CA--C 1.553 1.08 0 C-N-CA 123.677 0.791 . . . . 73.31 111.49 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 128' ' ' THR . . . . . 0.482 ' O ' ' HG3' ' B' ' 131' ' ' LYS . 55.4 m -73.18 -36.37 66.57 Favored 'General case' 0 N--CA 1.484 1.232 0 CA-C-O 121.502 0.667 . . . . 74.4 110.058 177.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 129' ' ' ASP . . . . . 0.438 ' O ' ' HG3' ' B' ' 133' ' ' GLN . 20.5 t70 -69.32 -35.64 76.15 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 115.737 -0.665 . . . . 72.42 109.505 173.708 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 130' ' ' LEU . . . . . 0.482 ' HB3' HD13 ' A' ' 30' ' ' LEU . 1.1 mm? -71.96 -35.68 69.64 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 123.995 0.918 . . . . 73.21 111.513 -177.639 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 131' ' ' LYS . . . . . 0.482 ' HG3' ' O ' ' B' ' 128' ' ' THR . 0.1 OUTLIER -73.39 -30.6 63.37 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 108.967 -0.753 . . . . 65.42 108.967 177.13 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 51.0 tp -65.53 -46.08 80.98 Favored 'General case' 0 C--N 1.356 0.876 0 CA-C-N 116.121 -0.49 . . . . 74.55 109.886 174.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 133' ' ' GLN . . . . . 0.438 ' HG3' ' O ' ' B' ' 129' ' ' ASP . 40.5 mt-30 -63.05 -35.38 80.05 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 116.164 -0.471 . . . . 73.31 109.817 174.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 134' ' ' LEU . . . . . 0.5 ' HA ' HD21 ' A' ' 34' ' ' LEU . 1.4 tm? -59.47 -61.19 2.81 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 124.199 0.999 . . . . 75.31 109.472 -176.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 135' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -59.01 -37.5 77.04 Favored 'General case' 0 CA--C 1.55 0.951 0 O-C-N 124.327 1.017 . . . . 73.01 111.093 -178.14 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 136' ' ' LYS . . . . . 0.53 ' HZ2' ' HB3' ' B' ' 136' ' ' LYS . 9.0 mtpm? -70.39 -32.7 70.47 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.261 0.624 . . . . 65.31 111.887 178.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -92.16 -8.36 45.8 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 122.93 0.492 . . . . 74.23 111.665 -177.174 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 138' ' ' THR . . . . . 0.405 HG21 ' O ' ' B' ' 134' ' ' LEU . 6.0 t -126.08 172.37 10.05 Favored 'General case' 0 C--N 1.354 0.78 0 CA-C-O 122.074 0.94 . . . . 75.44 112.68 -178.574 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 4.5 pm0 -102.64 -10.01 19.61 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 125.909 1.684 . . . . 74.01 109.836 174.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 140' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -78.09 -162.22 0.32 Allowed 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.853 1.261 . . . . 74.31 110.989 -176.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 5.3 pm0 -56.01 163.22 1.59 Allowed 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 113.658 0.984 . . . . 72.31 113.658 -177.439 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -79.4 -23.05 43.51 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 113.746 -1.57 . . . . 74.54 109.193 175.022 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 82.06 -73.07 0.04 OUTLIER 'General case' 0 C--N 1.355 0.834 0 C-N-CA 126.177 1.791 . . . . 73.05 109.825 175.289 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 144' ' ' PHE . . . . . . . . . . . . . 67.9 t80 . . . . . 0 CA--C 1.552 1.023 0 C-N-CA 123.755 0.822 . . . . 73.13 109.453 -174.787 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.434 ' O ' ' HG3' ' A' ' 4' ' ' LYS . 1.1 m-20 . . . . . 0 N--CA 1.485 1.29 0 N-CA-C 111.281 0.104 . . . . 71.25 111.281 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -62.89 -14.45 46.56 Favored 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 114.475 1.287 . . . . 70.34 114.475 -170.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.63 -43.62 98.36 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 109.587 -0.523 . . . . 72.13 109.587 173.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.434 ' HG3' ' O ' ' A' ' 1' ' ' ASP . 0.1 OUTLIER -81.8 -26.28 34.53 Favored 'General case' 0 C--O 1.211 -0.965 0 CA-C-O 118.725 -0.655 . . . . 72.35 109.649 -178.162 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 19.5 tp -54.69 -48.76 72.03 Favored 'General case' 0 N--CA 1.491 1.604 0 CA-C-O 121.304 0.573 . . . . 75.01 109.604 176.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -54.54 -51.86 63.85 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-N 113.743 -1.571 . . . . 73.21 109.927 173.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -60.1 -36.26 77.03 Favored 'General case' 0 C--O 1.216 -0.675 0 O-C-N 124.127 0.892 . . . . 74.55 112.793 -176.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 -63.84 -63.96 1.02 Allowed 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 122.657 0.383 . . . . 74.55 110.719 -175.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.545 HD13 ' HB2' ' B' ' 110' ' ' LEU . 18.5 mt -60.91 -41.03 87.32 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.033 0 CA-C-O 119.321 -0.371 . . . . 72.31 111.396 178.514 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.16 -30.23 70.67 Favored 'General case' 0 N--CA 1.491 1.576 0 C-N-CA 123.324 0.65 . . . . 72.12 110.757 -177.233 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.48 -50.74 68.49 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 122.601 0.36 . . . . 74.5 110.48 179.052 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.453 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 36.6 tt0 -67.67 -38.16 83.35 Favored 'General case' 0 C--O 1.213 -0.84 0 CA-C-N 116.196 -0.456 . . . . 70.33 109.961 176.564 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -60.09 -37.88 81.25 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 124.543 1.137 . . . . 74.13 110.854 -179.626 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -65.39 -49.91 67.51 Favored 'General case' 0 C--O 1.242 0.683 0 C-N-CA 124.449 1.1 . . . . 75.4 109.902 175.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.6 ttpt -55.31 -42.0 73.14 Favored 'General case' 0 C--O 1.211 -0.944 0 O-C-N 124.3 1.0 . . . . 75.44 109.778 176.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.471 ' HB3' ' HB3' ' B' ' 116' ' ' LEU . 95.3 mt -65.91 -37.2 85.47 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.616 1.166 . . . . 64.23 111.317 -176.678 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.446 ' HA ' HD21 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -66.46 -36.71 83.44 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 115.857 -0.611 . . . . 74.4 109.665 176.174 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.25 -51.09 16.37 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 115.459 -0.791 . . . . 54.33 111.055 -175.072 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -66.71 -34.25 77.43 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.738 0.815 . . . . 75.51 112.053 -178.732 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.446 HD21 ' HA ' ' A' ' 17' ' ' LYS . 0.5 OUTLIER -67.46 -41.84 84.0 Favored 'General case' 0 C--N 1.351 0.673 0 N-CA-C 108.409 -0.96 . . . . 73.23 108.409 176.275 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -58.41 -41.58 85.28 Favored 'General case' 0 C--N 1.357 0.911 0 O-C-N 123.813 0.695 . . . . 73.01 109.998 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -62.17 -57.28 12.1 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 123.417 0.448 . . . . 63.3 110.546 175.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.525 HG22 HG23 ' B' ' 123' ' ' THR . 22.4 m -60.9 -30.72 70.35 Favored 'General case' 0 CA--C 1.548 0.892 0 O-C-N 124.31 1.006 . . . . 73.25 111.847 -174.358 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.595 ' ND2' HG21 ' B' ' 123' ' ' THR . 0.9 OUTLIER -74.36 -48.67 26.64 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.554 0.742 . . . . 72.44 109.512 177.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.415 ' HE3' ' HA ' ' A' ' 25' ' ' MET . 9.3 mmt -63.11 -43.82 97.39 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.354 0.662 . . . . 75.23 111.956 -179.12 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -78.7 -22.03 47.25 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 122.773 0.429 . . . . 70.0 110.614 -177.153 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.8 tt -65.2 -40.86 94.75 Favored 'General case' 0 C--N 1.354 0.803 0 N-CA-C 108.904 -0.776 . . . . 75.31 108.904 166.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 20.3 m -63.46 -42.87 98.63 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 123.243 0.617 . . . . 74.12 110.188 179.169 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -59.45 -47.81 84.05 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-N 115.807 -0.633 . . . . 75.24 110.097 170.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.1 mp -62.65 -39.87 95.23 Favored 'General case' 0 C--O 1.214 -0.81 0 O-C-N 124.454 1.097 . . . . 72.21 111.866 -173.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.13 -34.67 59.43 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 122.685 0.394 . . . . 72.11 111.158 -177.634 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 63.3 tp -68.16 -49.38 61.33 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 124.156 0.91 . . . . 73.23 110.057 -177.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -69.37 -40.6 77.34 Favored 'General case' 0 CA--C 1.55 0.974 0 CA-C-N 115.517 -0.765 . . . . 73.22 109.86 179.284 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -52.65 -56.29 16.46 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-O 118.073 -0.965 . . . . 74.14 109.794 -177.05 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -63.68 -28.63 70.03 Favored 'General case' 0 CA--C 1.555 1.14 0 O-C-N 126.385 2.303 . . . . 73.5 112.777 -179.408 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -66.29 -15.18 63.01 Favored 'General case' 0 N--CA 1.498 1.941 0 C-N-CA 122.357 0.263 . . . . 74.34 111.413 167.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 81.7 56.74 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 126.566 1.946 . . . . 70.03 108.164 178.009 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 9.2 m -86.09 136.36 33.25 Favored 'General case' 0 N--CA 1.486 1.339 0 CA-C-N 114.204 -1.362 . . . . 65.51 113.107 -171.007 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -98.33 -51.85 3.85 Favored 'General case' 0 C--N 1.351 0.665 0 C-N-CA 124.44 1.096 . . . . 75.45 110.574 177.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.498 ' HD2' ' HB3' ' B' ' 141' ' ' GLN . 9.8 tpt180 -117.5 138.28 51.98 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.163 0.585 . . . . 73.34 110.476 -179.779 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 20.1 pm0 -136.4 -163.73 1.45 Allowed 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.213 1.005 . . . . 75.11 108.685 175.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -143.18 -40.04 0.32 Allowed 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.301 0.64 . . . . 72.2 110.365 175.019 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 72.3 mtm180 73.65 -56.0 0.66 Allowed 'General case' 0 N--CA 1.493 1.722 0 C-N-CA 125.773 1.629 . . . . 75.41 111.449 -175.045 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 65.7 t80 . . . . . 0 N--CA 1.476 0.839 0 C-N-CA 123.996 0.918 . . . . 72.45 110.988 178.369 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 . . . . . 0 N--CA 1.47 0.552 0 CA-C-O 120.831 0.348 . . . . 63.43 110.79 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 102' ' ' PHE . . . . . 0.42 ' O ' ' HG ' ' B' ' 105' ' ' LEU . 98.5 m-85 -110.28 -20.84 12.5 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.7 0.8 . . . . 64.15 111.913 -175.736 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.56 -37.15 70.15 Favored 'General case' 0 N--CA 1.481 1.122 0 CA-C-O 121.28 0.562 . . . . 75.13 109.728 174.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 104' ' ' LYS . . . . . 0.491 ' O ' ' HG2' ' B' ' 108' ' ' GLN . 0.0 OUTLIER -68.43 -35.45 77.64 Favored 'General case' 0 C--O 1.211 -0.955 0 CA-C-N 114.718 -1.128 . . . . 75.24 110.857 179.36 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' B' ' 102' ' ' PHE . 0.5 OUTLIER -60.94 -42.92 99.13 Favored 'General case' 0 C--N 1.376 1.721 0 N-CA-C 108.754 -0.832 . . . . 73.43 108.754 179.166 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 106' ' ' TYR . . . . . 0.469 ' CD2' HD12 ' A' ' 9' ' ' ILE . 44.4 t80 -57.01 -47.46 80.82 Favored 'General case' 0 C--N 1.356 0.877 0 CA-C-N 114.906 -1.043 . . . . 75.23 109.906 177.459 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -68.48 -42.57 78.5 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 123.83 0.852 . . . . 63.42 113.114 -177.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 108' ' ' GLN . . . . . 0.491 ' HG2' ' O ' ' B' ' 104' ' ' LYS . 11.5 mm-40 -66.09 -51.51 57.4 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 122.665 0.386 . . . . 72.54 110.859 -174.203 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 18.0 mt -69.0 -38.1 78.04 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.731 0 CA-C-N 115.993 -0.549 . . . . 74.32 110.702 -178.172 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 110' ' ' LEU . . . . . 0.545 ' HB2' HD13 ' A' ' 9' ' ' ILE . 20.8 tp -74.17 -27.19 60.71 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 122.504 0.322 . . . . 71.4 111.614 -178.822 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -67.0 -41.49 86.62 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-O 120.828 0.347 . . . . 75.41 110.067 172.017 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 112' ' ' GLU . . . . . 0.466 ' O ' ' HG ' ' B' ' 116' ' ' LEU . 24.9 tp10 -67.82 -41.75 82.58 Favored 'General case' 0 C--O 1.211 -0.945 0 CA-C-N 115.284 -0.871 . . . . 75.41 110.357 175.563 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 34.5 t-20 -65.38 -42.2 92.96 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 124.686 1.194 . . . . 60.44 110.332 -177.68 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -59.01 -47.63 84.51 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.372 1.069 . . . . 74.32 110.432 173.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 29.9 ttpt -58.16 -47.12 84.37 Favored 'General case' 0 C--N 1.347 0.479 0 CA-C-N 115.343 -0.844 . . . . 74.24 109.976 177.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 116' ' ' LEU . . . . . 0.471 ' HB3' ' HB3' ' A' ' 16' ' ' LEU . 95.4 mt -64.03 -29.39 70.54 Favored 'General case' 0 C--N 1.351 0.667 0 O-C-N 124.049 0.843 . . . . 70.24 110.901 -176.759 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . 0.437 ' HA ' HD23 ' B' ' 120' ' ' LEU . 0.2 OUTLIER -68.87 -44.39 73.4 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 123.758 0.823 . . . . 74.11 110.29 176.514 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -70.26 -45.74 65.81 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 115.175 -0.921 . . . . 64.02 111.3 -176.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -72.91 -31.77 64.89 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.753 0.821 . . . . 63.43 111.494 -175.265 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 120' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' B' ' 117' ' ' LYS . 0.9 OUTLIER -67.36 -43.79 80.57 Favored 'General case' 0 C--N 1.359 0.979 0 N-CA-C 109.105 -0.702 . . . . 72.34 109.105 175.709 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 44.3 t-80 -60.23 -37.63 80.92 Favored 'General case' 0 C--N 1.357 0.898 0 O-C-N 123.984 0.803 . . . . 75.33 110.221 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 122' ' ' ASP . . . . . 0.518 ' O ' ' HG2' ' B' ' 126' ' ' GLU . 20.3 t70 -59.14 -60.91 3.1 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 114.502 -1.227 . . . . 75.53 110.385 171.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 123' ' ' THR . . . . . 0.595 HG21 ' ND2' ' A' ' 24' ' ' ASN . 16.8 m -61.47 -26.02 67.63 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 122.966 0.507 . . . . 75.31 112.108 -176.387 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 124' ' ' ASN . . . . . 0.433 ' ND2' HG23 ' A' ' 23' ' ' THR . 1.0 OUTLIER -71.45 -42.21 68.47 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.375 0.67 . . . . 73.33 110.535 177.582 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 125' ' ' MET . . . . . 0.472 ' HG2' ' O ' ' B' ' 122' ' ' ASP . 22.5 ptp -74.2 -27.19 60.69 Favored 'General case' 0 C--N 1.358 0.949 0 N-CA-C 110.3 -0.259 . . . . 73.04 110.3 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 126' ' ' GLU . . . . . 0.518 ' HG2' ' O ' ' B' ' 122' ' ' ASP . 8.8 mm-40 -68.67 -42.88 77.25 Favored 'General case' 0 C--N 1.354 0.769 0 N-CA-C 109.199 -0.667 . . . . 75.2 109.199 173.734 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 9.3 tt -62.5 -38.74 91.08 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.479 0.712 . . . . 75.53 109.975 176.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 128' ' ' THR . . . . . . . . . . . . . 84.2 m -64.48 -36.55 84.56 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.681 0.792 . . . . 71.33 110.964 176.375 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 129' ' ' ASP . . . . . 0.412 ' O ' ' HG3' ' B' ' 133' ' ' GLN . 13.3 t70 -62.76 -47.72 82.3 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.055 0.542 . . . . 74.2 109.894 174.057 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 130' ' ' LEU . . . . . 0.472 HD11 ' NE2' ' B' ' 133' ' ' GLN . 3.2 mm? -60.09 -37.92 81.38 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 123.904 0.753 . . . . 75.41 111.823 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 131' ' ' LYS . . . . . 0.546 ' O ' ' HG3' ' B' ' 135' ' ' GLU . 9.7 mtmp? -60.92 -55.16 36.23 Favored 'General case' 0 C--N 1.354 0.769 0 N-CA-C 109.476 -0.564 . . . . 75.14 109.476 173.693 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 42.2 tp -52.29 -39.11 60.07 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 124.971 1.42 . . . . 72.11 111.487 -176.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 133' ' ' GLN . . . . . 0.472 ' NE2' HD11 ' B' ' 130' ' ' LEU . 40.9 mt-30 -69.24 -36.92 77.67 Favored 'General case' 0 C--O 1.215 -0.727 0 C-N-CA 122.672 0.389 . . . . 71.35 111.005 178.283 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 54.8 mt -62.08 -38.97 90.85 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 123.091 0.556 . . . . 75.05 110.473 173.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 135' ' ' GLU . . . . . 0.546 ' HG3' ' O ' ' B' ' 131' ' ' LYS . 17.3 mt-10 -68.7 -39.09 80.66 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.822 0.849 . . . . 71.34 109.943 -178.607 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -72.01 -55.05 8.09 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 114.591 -1.186 . . . . 75.4 112.317 178.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -60.69 -31.94 71.18 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 124.596 1.158 . . . . 73.43 111.55 -176.083 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 138' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -147.82 -83.93 0.11 Allowed 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.35 0.66 . . . . 74.23 110.161 179.617 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -166.58 -25.87 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.119 0 CA-C-O 118.753 -0.642 . . . . 74.55 112.554 -174.627 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 140' ' ' ARG . . . . . . . . . . . . . 19.9 ttt180 70.27 146.55 0.06 Allowed 'General case' 0 N--CA 1.493 1.711 0 C-N-CA 124.056 0.942 . . . . 74.4 110.394 -175.157 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 141' ' ' GLN . . . . . 0.498 ' HB3' ' HD2' ' A' ' 40' ' ' ARG . 4.3 pt20 -59.3 154.44 16.57 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 122.814 0.446 . . . . 63.3 112.053 176.432 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -88.85 73.44 8.4 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.814 0.846 . . . . 74.5 110.38 -172.236 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -91.68 -72.12 0.6 Allowed 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 115.194 -0.912 . . . . 75.33 109.83 172.292 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 144' ' ' PHE . . . . . . . . . . . . . 48.2 t80 . . . . . 0 C--O 1.252 1.213 0 N-CA-C 107.999 -1.112 . . . . 73.34 107.999 176.684 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 . . . . . 0 N--CA 1.482 1.175 0 N-CA-C 111.665 0.246 . . . . 74.24 111.665 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 -87.26 -26.48 23.45 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 113.885 1.069 . . . . 72.42 113.885 -172.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.09 -40.07 82.73 Favored 'General case' 0 N--CA 1.482 1.155 0 CA-C-O 121.391 0.615 . . . . 72.31 109.484 177.6 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.455 ' O ' ' HG2' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -78.72 -30.59 45.97 Favored 'General case' 0 C--O 1.211 -0.948 0 CA-C-N 115.087 -0.96 . . . . 75.42 109.833 177.205 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.426 ' O ' HG13 ' A' ' 9' ' ' ILE . 36.0 tp -53.52 -46.26 70.04 Favored 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 122.771 0.428 . . . . 73.24 110.193 174.24 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -55.47 -49.42 72.55 Favored 'General case' 0 C--N 1.355 0.833 0 O-C-N 124.824 1.327 . . . . 72.51 109.712 176.124 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 46.8 mm-40 -59.59 -38.27 80.76 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.344 1.058 . . . . 72.25 112.496 179.006 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.455 ' HG2' ' O ' ' A' ' 4' ' ' LYS . 10.9 mm-40 -68.69 -51.91 36.63 Favored 'General case' 0 N--CA 1.483 1.201 0 O-C-N 123.545 0.528 . . . . 75.34 111.141 -175.291 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.426 HG13 ' O ' ' A' ' 5' ' ' LEU . 3.8 mt -62.85 -49.42 83.74 Favored 'Isoleucine or valine' 0 C--N 1.359 1.02 0 O-C-N 123.521 0.513 . . . . 71.02 109.892 178.519 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.18 -27.29 69.26 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 124.683 1.193 . . . . 72.54 110.603 -177.299 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.75 -56.82 17.03 Favored 'General case' 0 N--CA 1.482 1.128 0 CA-C-O 121.35 0.595 . . . . 73.22 110.22 173.317 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.487 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 27.5 tp10 -66.26 -34.29 77.66 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 115.214 -0.903 . . . . 75.33 110.592 178.494 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -67.51 -46.25 73.41 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.342 1.057 . . . . 75.45 109.991 -175.214 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.407 ' HA ' ' HE3' ' A' ' 17' ' ' LYS . 4.2 pt-20 -63.42 -37.17 86.24 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.756 0.823 . . . . 73.52 108.782 178.831 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.4 ttpt -62.01 -42.87 99.62 Favored 'General case' 0 C--N 1.362 1.149 0 CA-C-N 114.726 -1.125 . . . . 74.35 109.192 178.404 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' A' ' 12' ' ' GLU . 95.3 mt -66.45 -30.75 71.17 Favored 'General case' 0 C--N 1.358 0.953 0 O-C-N 124.138 0.899 . . . . 72.21 112.024 -177.497 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.416 ' HA ' HD21 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -73.59 -32.83 64.32 Favored 'General case' 0 N--CA 1.49 1.569 0 CA-C-N 117.869 0.304 . . . . 72.13 111.347 172.832 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.5 -52.43 21.99 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 110.07 -0.344 . . . . 73.31 110.07 -177.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -68.01 -32.69 73.25 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.839 0.856 . . . . 74.31 112.05 -178.237 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.416 HD21 ' HA ' ' A' ' 17' ' ' LYS . 0.8 OUTLIER -65.39 -42.1 93.0 Favored 'General case' 0 C--N 1.367 1.351 0 N-CA-C 108.718 -0.845 . . . . 74.12 108.718 176.389 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.541 ' O ' ' HG3' ' A' ' 25' ' ' MET . 61.8 t60 -58.26 -47.83 82.35 Favored 'General case' 0 C--N 1.359 0.991 0 O-C-N 124.489 1.118 . . . . 74.4 109.475 -179.816 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.406 ' HA ' ' HE1' ' A' ' 25' ' ' MET . 10.3 m-20 -56.4 -51.26 68.99 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 124.317 1.011 . . . . 73.54 111.384 176.663 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.519 HG21 HD21 ' B' ' 127' ' ' LEU . 18.5 m -64.03 -29.83 70.94 Favored 'General case' 0 CA--C 1.549 0.939 0 O-C-N 124.272 0.983 . . . . 71.22 111.045 -177.561 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.482 ' ND2' HG23 ' B' ' 123' ' ' THR . 1.0 OUTLIER -70.96 -50.55 33.25 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.24 0.616 . . . . 74.22 110.252 176.686 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.541 ' HG3' ' O ' ' A' ' 21' ' ' HIS . 48.6 mtm -53.04 -58.26 7.59 Favored 'General case' 0 C--N 1.36 1.031 0 C-N-CA 123.902 0.881 . . . . 75.31 111.527 177.539 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.405 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 13.4 pt-20 -64.27 -36.18 83.27 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 124.129 0.893 . . . . 73.43 111.433 -173.68 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.717 HD11 ' HB2' ' B' ' 126' ' ' GLU . 6.3 tt -60.33 -40.78 91.86 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.779 0.832 . . . . 75.32 110.762 172.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.442 HG21 ' HE2' ' A' ' 31' ' ' LYS . 81.6 m -67.11 -39.51 86.69 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.451 0.701 . . . . 74.54 110.765 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -61.21 -44.49 97.19 Favored 'General case' 0 C--O 1.25 1.095 0 O-C-N 123.695 0.622 . . . . 54.31 109.943 173.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 26' ' ' GLU . 7.1 mt -58.55 -60.94 3.02 Favored 'General case' 0 C--N 1.366 1.287 0 O-C-N 124.735 1.272 . . . . 73.3 110.071 -178.552 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.442 ' HE2' HG21 ' A' ' 28' ' ' THR . 0.0 OUTLIER -62.71 -29.36 70.61 Favored 'General case' 0 N--CA 1.481 1.121 0 O-C-N 123.937 0.773 . . . . 70.13 112.753 -174.873 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 42.7 tp -62.71 -69.08 0.28 Allowed 'General case' 0 C--N 1.353 0.723 0 O-C-N 123.693 0.62 . . . . 70.4 109.78 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.6 pp0? -69.97 -21.85 63.21 Favored 'General case' 0 CA--C 1.554 1.099 0 N-CA-C 111.731 0.271 . . . . 75.12 111.731 -177.367 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.32 -68.69 0.15 Allowed 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 123.895 0.878 . . . . 75.13 110.222 175.376 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.92 -23.16 59.5 Favored 'General case' 0 C--N 1.361 1.075 0 O-C-N 125.632 1.832 . . . . 74.24 111.493 -173.043 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 58.6 mtpt -62.13 -13.73 29.86 Favored 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 122.438 0.295 . . . . 75.31 110.834 165.372 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 82.51 63.53 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.84 1.656 . . . . 74.52 108.472 167.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 9.1 t -60.92 163.98 5.31 Favored 'General case' 0 CA--C 1.555 1.141 0 CA-C-N 112.189 -2.278 . . . . 74.32 114.007 -175.034 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.33 -29.18 5.23 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.941 1.296 . . . . 70.31 110.904 -175.716 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -154.47 168.8 25.49 Favored 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 108.542 -0.91 . . . . 75.14 108.542 170.133 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.56 HE21 ' HB3' ' B' ' 134' ' ' LEU . 7.2 pt20 -147.62 -44.41 0.17 Allowed 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 109.453 -0.573 . . . . 74.21 109.453 -174.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 46.02 63.87 1.68 Allowed 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 124.87 1.268 . . . . 75.14 110.916 -178.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 41.0 mtm105 -64.4 -53.23 51.79 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 115.639 -0.71 . . . . 74.3 109.981 -178.307 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 60.0 t80 . . . . . 0 C--O 1.24 0.595 0 CA-C-N 115.438 -0.801 . . . . 74.13 109.441 178.057 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 . . . . . 0 N--CA 1.464 0.251 0 CA-C-O 121.72 0.771 . . . . 74.44 109.68 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 102' ' ' PHE . . . . . 0.574 ' HA ' HD21 ' B' ' 105' ' ' LEU . 47.0 m-85 -87.09 -31.17 20.62 Favored 'General case' 0 C--O 1.246 0.918 0 CA-C-N 114.648 -1.16 . . . . 74.44 111.289 -176.744 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.54 -42.04 87.79 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 108.791 -0.818 . . . . 74.43 108.791 174.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 104' ' ' LYS . . . . . 0.479 ' O ' ' HG2' ' B' ' 108' ' ' GLN . 0.0 OUTLIER -77.3 -25.89 51.75 Favored 'General case' 0 C--N 1.356 0.869 0 CA-C-O 118.132 -0.937 . . . . 73.34 110.578 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . 0.574 HD21 ' HA ' ' B' ' 102' ' ' PHE . 0.3 OUTLIER -59.33 -46.07 89.61 Favored 'General case' 0 C--N 1.372 1.562 0 N-CA-C 107.807 -1.182 . . . . 73.11 107.807 176.286 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 106' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -61.86 -44.91 95.86 Favored 'General case' 0 C--N 1.363 1.184 0 CA-C-N 115.171 -0.922 . . . . 73.25 109.715 177.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 81.8 mm-40 -59.89 -44.72 94.05 Favored 'General case' 0 C--N 1.351 0.636 0 O-C-N 123.65 0.594 . . . . 74.42 112.12 -178.163 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 108' ' ' GLN . . . . . 0.479 ' HG2' ' O ' ' B' ' 104' ' ' LYS . 11.6 mm-40 -70.06 -52.65 22.2 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 123.108 0.255 . . . . 73.11 111.37 -172.569 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 10.4 mt -71.84 -36.17 57.38 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.857 0 O-C-N 123.628 0.58 . . . . 72.15 110.543 -173.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.63 -34.64 69.98 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 122.894 0.478 . . . . 74.2 109.957 178.115 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -62.37 -43.05 99.73 Favored 'General case' 0 N--CA 1.486 1.325 0 CA-C-O 120.902 0.382 . . . . 63.43 110.157 173.298 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -64.35 -42.4 96.25 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 115.083 -0.962 . . . . 71.5 109.515 177.018 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -59.92 -38.97 83.88 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 125.374 1.47 . . . . 64.43 111.206 178.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -62.96 -48.89 76.91 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.771 1.228 . . . . 75.24 110.415 175.144 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 11.6 ttpt -62.26 -39.83 94.2 Favored 'General case' 0 C--N 1.349 0.544 0 CA-C-N 115.186 -0.915 . . . . 74.31 110.289 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 116' ' ' LEU . . . . . 0.425 HD12 ' HB2' ' A' ' 16' ' ' LEU . 81.8 mt -66.01 -33.85 76.76 Favored 'General case' 0 C--N 1.349 0.556 0 CA-C-N 114.83 -1.077 . . . . 74.32 110.57 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 16.8 ttpt -69.88 -40.64 75.55 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.411 0.685 . . . . 73.31 110.534 177.491 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -70.77 -44.23 67.12 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.133 0.573 . . . . 75.13 110.888 -176.66 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -69.93 -40.96 75.2 Favored 'General case' 0 C--N 1.348 0.538 0 CA-C-N 115.565 -0.743 . . . . 74.33 110.804 -178.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 1.4 pp -67.25 -39.43 86.15 Favored 'General case' 0 C--N 1.362 1.133 0 N-CA-C 109.405 -0.591 . . . . 74.32 109.405 -178.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 121' ' ' HIS . . . . . 0.473 ' O ' ' HG2' ' B' ' 125' ' ' MET . 65.4 t60 -58.49 -43.44 89.0 Favored 'General case' 0 C--N 1.356 0.885 0 O-C-N 123.863 0.727 . . . . 72.41 109.615 178.733 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 122' ' ' ASP . . . . . 0.508 ' O ' ' HG3' ' B' ' 126' ' ' GLU . 26.6 t70 -59.9 -51.1 71.14 Favored 'General case' 0 C--N 1.355 0.826 0 O-C-N 124.371 1.045 . . . . 74.41 110.459 176.382 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 123' ' ' THR . . . . . 0.482 HG23 ' ND2' ' A' ' 24' ' ' ASN . 5.0 m -63.43 -28.87 70.27 Favored 'General case' 0 CA--C 1.557 1.227 0 C-N-CA 123.72 0.808 . . . . 72.32 111.054 -177.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 124' ' ' ASN . . . . . 0.498 ' ND2' HG23 ' A' ' 23' ' ' THR . 0.9 OUTLIER -76.98 -35.47 57.17 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.724 0.81 . . . . 70.33 110.458 177.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 125' ' ' MET . . . . . 0.473 ' HG2' ' O ' ' B' ' 121' ' ' HIS . 85.1 mmm -61.94 -40.87 97.01 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.234 0.614 . . . . 75.44 110.947 174.044 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 126' ' ' GLU . . . . . 0.717 ' HB2' HD11 ' A' ' 27' ' ' LEU . 15.9 mt-10 -72.74 -33.38 66.34 Favored 'General case' 0 C--O 1.213 -0.839 0 O-C-N 123.822 0.701 . . . . 71.43 110.077 178.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 127' ' ' LEU . . . . . 0.519 HD21 HG21 ' A' ' 23' ' ' THR . 38.6 tp -64.83 -37.06 86.35 Favored 'General case' 0 CA--C 1.555 1.151 0 C-N-CA 122.977 0.511 . . . . 74.03 110.039 177.828 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 128' ' ' THR . . . . . . . . . . . . . 28.3 m -71.91 -39.48 69.5 Favored 'General case' 0 CA--C 1.561 1.379 0 C-N-CA 124.214 1.006 . . . . 73.4 110.529 175.091 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -62.93 -45.85 90.54 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.595 1.158 . . . . 54.41 110.649 178.091 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 130' ' ' LEU . . . . . 0.48 HD13 ' NE2' ' B' ' 133' ' ' GLN . 1.7 mm? -68.24 -44.52 75.5 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.063 -0.972 . . . . 70.3 110.751 -175.695 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 131' ' ' LYS . . . . . 0.47 ' HA ' HD13 ' B' ' 134' ' ' LEU . 0.0 OUTLIER -65.46 -29.86 70.58 Favored 'General case' 0 C--N 1.357 0.933 0 O-C-N 123.784 0.677 . . . . 74.21 110.628 -179.6 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 5.4 tt -64.3 -53.63 45.85 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.795 0.838 . . . . 73.45 110.715 174.177 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 133' ' ' GLN . . . . . 0.48 ' NE2' HD13 ' B' ' 130' ' ' LEU . 43.2 mt-30 -57.91 -37.24 73.67 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 115.579 -0.737 . . . . 71.55 109.827 177.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 134' ' ' LEU . . . . . 0.56 ' HB3' HE21 ' A' ' 41' ' ' GLN . 19.6 mt -65.18 -50.76 64.68 Favored 'General case' 0 C--O 1.217 -0.624 0 CA-C-N 114.509 -1.223 . . . . 75.31 111.951 -178.088 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 135' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -66.97 -25.62 66.42 Favored 'General case' 0 N--CA 1.484 1.226 0 O-C-N 123.452 0.47 . . . . 74.53 111.134 -175.628 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -78.6 -36.34 44.42 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 123.628 0.58 . . . . 73.43 111.359 171.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -68.06 -35.21 77.85 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.262 0.625 . . . . 75.43 110.608 176.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 138' ' ' THR . . . . . 0.431 HG22 HE22 ' A' ' 41' ' ' GLN . 53.1 p -89.02 143.75 26.63 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-N 115.423 -0.808 . . . . 73.43 110.598 -177.796 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 3.8 pp0? -78.05 -18.58 55.63 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 114.934 -1.03 . . . . 74.42 108.995 170.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 140' ' ' ARG . . . . . . . . . . . . . 24.5 tpt180 -85.87 140.64 30.23 Favored 'General case' 0 CA--C 1.56 1.341 0 CA-C-N 115.168 -0.923 . . . . 75.31 110.86 -179.484 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 141' ' ' GLN . . . . . 0.478 ' HG2' ' N ' ' B' ' 142' ' ' GLU . 0.0 OUTLIER 75.05 -59.47 0.54 Allowed 'General case' 0 N--CA 1.491 1.582 0 C-N-CA 127.059 2.143 . . . . 73.15 112.495 176.412 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 142' ' ' GLU . . . . . 0.478 ' N ' ' HG2' ' B' ' 141' ' ' GLN . 37.8 tt0 46.44 85.22 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.711 0 C-N-CA 125.185 1.394 . . . . 70.51 112.664 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 15.1 mmm180 -81.52 -36.28 29.37 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 123.25 0.62 . . . . 74.32 111.848 -173.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 144' ' ' PHE . . . . . . . . . . . . . 78.1 t80 . . . . . 0 C--O 1.252 1.224 0 CA-C-N 115.614 -0.721 . . . . 64.5 109.247 169.854 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 . . . . . 0 N--CA 1.487 1.415 0 CA-C-O 120.82 0.343 . . . . 71.41 111.124 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.442 ' HD1' HD21 ' A' ' 5' ' ' LEU . 41.4 m-85 -54.89 -13.82 1.22 Allowed 'General case' 0 CA--C 1.561 1.369 0 N-CA-C 115.64 1.718 . . . . 75.54 115.64 -179.481 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.39 -39.3 85.58 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-N 118.794 0.724 . . . . 75.3 109.998 174.518 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.22 -27.8 60.96 Favored 'General case' 0 C--N 1.358 0.977 0 CA-C-O 119.103 -0.475 . . . . 74.32 110.09 177.83 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.442 HD21 ' HD1' ' A' ' 2' ' ' PHE . 25.3 tp -53.87 -46.2 71.24 Favored 'General case' 0 N--CA 1.487 1.382 0 CA-C-O 121.227 0.537 . . . . 72.22 110.093 177.587 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 21.9 t80 -54.63 -55.06 33.54 Favored 'General case' 0 C--N 1.35 0.592 0 CA-C-N 113.845 -1.525 . . . . 73.42 109.475 173.419 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -57.5 -31.32 65.9 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.754 1.222 . . . . 45.42 113.335 -177.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -66.49 -64.9 0.76 Allowed 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 122.963 0.505 . . . . 74.53 111.579 -178.472 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.449 HD13 ' CD2' ' B' ' 106' ' ' TYR . 17.8 mt -62.47 -40.17 87.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 CA-C-O 119.598 -0.239 . . . . 73.5 110.667 178.746 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.04 -28.32 68.77 Favored 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 123.728 0.811 . . . . 74.51 110.698 -177.247 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.47 -49.35 77.16 Favored 'General case' 0 N--CA 1.482 1.136 0 N-CA-C 109.584 -0.524 . . . . 75.3 109.584 173.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.458 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 3.1 tp10 -68.48 -37.65 80.33 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 114.932 -1.031 . . . . 74.52 111.015 177.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -71.73 -37.16 70.63 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 124.559 1.144 . . . . 70.3 110.333 -173.062 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.458 ' HA ' ' HE2' ' A' ' 17' ' ' LYS . 2.6 tt0 -64.87 -47.18 78.82 Favored 'General case' 0 C--O 1.243 0.718 0 C-N-CA 124.482 1.113 . . . . 74.01 109.982 174.28 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.7 ttpt -54.07 -42.52 69.38 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 124.185 0.928 . . . . 71.53 110.043 172.395 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 12' ' ' GLU . 89.4 mt -65.37 -33.2 75.4 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.731 0.812 . . . . 74.21 111.333 -177.531 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.458 ' HE2' ' HA ' ' A' ' 14' ' ' GLU . 56.8 mtmt -69.54 -34.94 74.94 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 122.804 0.442 . . . . 71.15 110.693 174.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.62 -55.0 8.58 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 115.896 -0.593 . . . . 62.14 110.417 -178.096 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -66.27 -32.78 74.39 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.608 0.763 . . . . 75.02 112.626 -176.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.59 -43.53 80.3 Favored 'General case' 0 C--N 1.357 0.919 0 N-CA-C 108.535 -0.913 . . . . 73.51 108.535 175.332 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.544 ' O ' ' HG3' ' A' ' 25' ' ' MET . 63.5 t60 -51.92 -55.91 17.39 Favored 'General case' 0 C--N 1.359 1.02 0 O-C-N 124.179 0.924 . . . . 72.31 109.627 178.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.566 ' HA ' ' HE1' ' A' ' 25' ' ' MET . 6.8 m-20 -60.28 -47.02 87.77 Favored 'General case' 0 N--CA 1.478 0.937 0 O-C-N 124.092 0.87 . . . . 75.35 112.241 -179.605 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.532 HG23 HG21 ' B' ' 123' ' ' THR . 20.4 m -67.45 -27.73 67.28 Favored 'General case' 0 N--CA 1.479 0.979 0 O-C-N 123.511 0.507 . . . . 62.23 111.231 -177.725 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.46 ' ND2' HG22 ' B' ' 123' ' ' THR . 1.0 OUTLIER -74.14 -45.7 47.14 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.459 0.703 . . . . 64.02 109.967 177.729 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.566 ' HE1' ' HA ' ' A' ' 22' ' ' ASP . 46.0 mtm -54.89 -58.62 6.86 Favored 'General case' 0 C--N 1.363 1.168 0 C-N-CA 123.293 0.637 . . . . 75.32 110.683 173.825 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.452 ' HG2' ' HA ' ' A' ' 23' ' ' THR . 11.3 pt-20 -70.86 -18.64 62.69 Favored 'General case' 0 C--O 1.202 -1.443 0 CA-C-N 115.402 -0.817 . . . . 74.33 111.568 -173.112 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.498 HD11 ' HB2' ' B' ' 126' ' ' GLU . 7.1 tt -67.43 -52.34 40.73 Favored 'General case' 0 C--N 1.356 0.877 0 CA-C-N 118.773 0.715 . . . . 75.14 109.117 168.646 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 29.0 m -62.0 -41.16 97.76 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 123.3 0.64 . . . . 71.55 110.514 -177.149 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.485 ' O ' ' HG2' ' A' ' 33' ' ' GLN . 3.4 m-20 -61.64 -52.88 62.54 Favored 'General case' 0 C--N 1.349 0.547 0 C-N-CA 124.049 0.94 . . . . 72.34 110.511 172.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.436 HD23 ' HG3' ' A' ' 41' ' ' GLN . 0.9 OUTLIER -56.29 -45.04 80.36 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 124.075 0.95 . . . . 73.32 111.862 -175.37 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.412 ' HE2' ' HB2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -70.97 -37.46 72.76 Favored 'General case' 0 C--O 1.242 0.667 0 O-C-N 123.874 0.734 . . . . 73.4 110.383 -177.932 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.7 tp -61.74 -58.69 7.04 Favored 'General case' 0 C--N 1.352 0.679 0 CA-C-N 115.387 -0.824 . . . . 74.25 109.738 -178.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.563 HE21 ' HB3' ' A' ' 41' ' ' GLN . 6.2 pt20 -65.66 -33.54 76.14 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 123.464 0.706 . . . . 72.25 111.044 -178.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.455 HD21 HD21 ' B' ' 134' ' ' LEU . 1.6 tm? -52.17 -61.48 2.24 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.494 0.717 . . . . 70.14 109.416 -179.053 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -70.22 -23.78 62.99 Favored 'General case' 0 CA--C 1.548 0.883 0 O-C-N 126.086 2.116 . . . . 75.11 111.95 -176.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.4 ' HD3' ' HA ' ' A' ' 33' ' ' GLN . 26.3 mtpp -66.7 -13.74 61.66 Favored 'General case' 0 N--CA 1.492 1.667 0 C-N-CA 123.031 0.533 . . . . 72.53 110.576 167.415 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 82.15 60.6 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 126.585 1.954 . . . . 74.32 108.379 175.069 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.414 ' HB ' ' HB2' ' A' ' 33' ' ' GLN . 15.0 t -79.12 165.08 23.72 Favored 'General case' 0 N--CA 1.494 1.772 0 CA-C-N 114.151 -1.386 . . . . 74.22 111.821 -175.393 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -105.66 -28.74 10.54 Favored 'General case' 0 CA--C 1.55 0.964 0 CA-C-N 115.698 -0.683 . . . . 73.42 111.94 177.484 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 31.5 ttt180 -165.28 170.02 15.23 Favored 'General case' 0 N--CA 1.491 1.597 0 CA-C-N 118.402 0.546 . . . . 72.31 111.3 -176.542 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.563 ' HB3' HE21 ' A' ' 33' ' ' GLN . 3.3 pm0 -132.07 175.34 9.32 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.494 1.117 . . . . 75.21 110.161 171.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -123.69 100.91 7.01 Favored 'General case' 0 C--O 1.242 0.666 0 C-N-CA 124.265 1.026 . . . . 75.43 108.488 175.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.793 HH12 HD11 ' B' ' 127' ' ' LEU . 40.8 mmt180 -69.21 -62.73 1.26 Allowed 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 115.044 -0.98 . . . . 74.55 109.65 178.811 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 85.9 t80 . . . . . 0 N--CA 1.479 0.985 0 C-N-CA 123.62 0.768 . . . . 71.24 109.293 176.484 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 . . . . . 0 CA--C 1.535 0.371 0 N-CA-C 109.494 -0.558 . . . . 74.42 109.494 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 102' ' ' PHE . . . . . 0.451 ' O ' ' HG ' ' B' ' 105' ' ' LEU . 95.0 m-85 -93.71 -8.33 41.13 Favored 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 124.263 1.025 . . . . 75.13 111.045 177.168 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.38 -34.71 69.14 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-O 121.859 0.838 . . . . 75.32 110.219 177.182 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.84 -31.64 63.3 Favored 'General case' 0 C--O 1.214 -0.792 0 CA-C-N 114.389 -1.278 . . . . 74.14 109.874 -178.061 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' B' ' 102' ' ' PHE . 0.5 OUTLIER -61.78 -41.04 97.21 Favored 'General case' 0 C--N 1.384 2.076 0 N-CA-C 108.287 -1.005 . . . . 73.55 108.287 176.748 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 106' ' ' TYR . . . . . 0.449 ' CD2' HD13 ' A' ' 9' ' ' ILE . 37.9 t80 -54.98 -49.36 71.64 Favored 'General case' 0 C--N 1.369 1.426 0 O-C-N 124.309 1.006 . . . . 73.43 109.651 176.017 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -64.52 -35.07 79.77 Favored 'General case' 0 CA--C 1.552 1.031 0 N-CA-C 113.157 0.799 . . . . 71.42 113.157 177.119 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -65.42 -57.67 7.75 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-N 118.691 0.678 . . . . 75.41 110.86 -178.246 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 15.2 mt -70.44 -37.27 69.86 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.703 0 CA-C-N 115.586 -0.733 . . . . 73.24 111.076 -174.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 110' ' ' LEU . . . . . 0.435 ' HA ' ' HB3' ' B' ' 113' ' ' ASN . 1.0 OUTLIER -71.25 -32.3 68.57 Favored 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 122.914 0.485 . . . . 74.24 110.707 179.568 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -65.04 -43.43 92.35 Favored 'General case' 0 N--CA 1.486 1.332 0 N-CA-C 109.805 -0.442 . . . . 72.21 109.805 174.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 112' ' ' GLU . . . . . 0.453 ' O ' ' HG ' ' B' ' 116' ' ' LEU . 52.9 tp10 -64.78 -40.4 95.2 Favored 'General case' 0 C--O 1.204 -1.324 0 CA-C-N 114.939 -1.028 . . . . 73.33 110.239 174.177 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 113' ' ' ASN . . . . . 0.435 ' HB3' ' HA ' ' B' ' 110' ' ' LEU . 23.5 t-20 -65.05 -39.84 93.87 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 125.012 1.325 . . . . 75.53 111.003 -177.525 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -67.89 -45.98 72.95 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.258 1.023 . . . . 70.22 110.013 176.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 28.7 ttpt -57.85 -44.86 86.83 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.638 -0.71 . . . . 75.1 110.025 175.372 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 116' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' B' ' 112' ' ' GLU . 76.1 mt -67.04 -29.0 68.68 Favored 'General case' 0 C--N 1.352 0.705 0 O-C-N 123.976 0.797 . . . . 75.35 110.127 -177.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.33 -44.17 79.76 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.931 0.892 . . . . 73.51 109.843 175.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -70.96 -45.93 63.25 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 115.097 -0.956 . . . . 72.23 111.288 -175.389 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? -69.03 -41.05 78.22 Favored 'General case' 0 C--N 1.351 0.644 0 C-N-CA 123.456 0.702 . . . . 74.33 111.278 -176.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.83 -41.14 92.16 Favored 'General case' 0 C--N 1.362 1.122 0 N-CA-C 109.674 -0.491 . . . . 64.22 109.674 179.466 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 22.7 t-160 -59.71 -45.93 90.63 Favored 'General case' 0 C--N 1.357 0.907 0 O-C-N 124.011 0.82 . . . . 71.52 108.911 179.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 122' ' ' ASP . . . . . 0.525 ' O ' ' HG3' ' B' ' 126' ' ' GLU . 16.0 t70 -59.23 -47.64 84.58 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 124.407 1.067 . . . . 65.14 110.077 176.459 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 123' ' ' THR . . . . . 0.532 HG21 HG23 ' A' ' 23' ' ' THR . 26.8 m -61.58 -35.84 78.97 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 124.381 1.072 . . . . 75.53 111.329 -177.777 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 124' ' ' ASN . . . . . 0.493 ' ND2' HG21 ' A' ' 23' ' ' THR . 1.6 m-80 -72.92 -34.2 66.44 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.266 0.626 . . . . 71.21 110.521 177.877 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 125' ' ' MET . . . . . 0.498 ' HE2' ' HA ' ' B' ' 125' ' ' MET . 14.5 mmt -66.91 -41.72 86.61 Favored 'General case' 0 C--N 1.351 0.647 0 O-C-N 123.463 0.477 . . . . 74.14 110.639 176.533 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 126' ' ' GLU . . . . . 0.525 ' HG3' ' O ' ' B' ' 122' ' ' ASP . 19.6 mt-10 -62.72 -41.32 99.1 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 109.088 -0.708 . . . . 62.55 109.088 176.441 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 127' ' ' LEU . . . . . 0.793 HD11 HH12 ' A' ' 43' ' ' ARG . 29.3 tp -67.69 -27.25 66.67 Favored 'General case' 0 CA--C 1.561 1.389 0 CA-C-N 114.965 -1.016 . . . . 71.44 111.078 176.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 128' ' ' THR . . . . . . . . . . . . . 91.7 m -68.43 -39.38 81.58 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 123.612 0.765 . . . . 65.21 109.992 174.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -57.65 -50.71 72.28 Favored 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 109.435 -0.58 . . . . 61.13 109.435 170.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 130' ' ' LEU . . . . . 0.489 ' HG ' ' O ' ' B' ' 126' ' ' GLU . 80.4 mt -62.28 -37.51 85.77 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.365 0.666 . . . . 74.45 112.47 -173.186 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 131' ' ' LYS . . . . . 0.607 ' HZ1' ' HB3' ' B' ' 144' ' ' PHE . 0.0 OUTLIER -80.46 -25.0 39.14 Favored 'General case' 0 C--N 1.355 0.832 0 O-C-N 123.717 0.636 . . . . 74.34 111.401 -179.773 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 132' ' ' LEU . . . . . 0.436 ' O ' ' HG3' ' B' ' 136' ' ' LYS . 57.1 tp -68.62 -54.05 18.84 Favored 'General case' 0 N--CA 1.481 1.08 0 N-CA-C 109.085 -0.709 . . . . 72.45 109.085 173.165 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.84 -29.39 70.14 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.835 0.854 . . . . 74.23 111.24 175.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 134' ' ' LEU . . . . . 0.476 ' HB2' ' HA ' ' B' ' 131' ' ' LYS . 0.2 OUTLIER -61.12 -56.78 16.88 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.757 0.823 . . . . 74.01 109.268 178.466 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 135' ' ' GLU . . . . . 0.432 ' HB2' ' HA ' ' B' ' 142' ' ' GLU . 10.6 pt-20 -68.05 -21.54 65.0 Favored 'General case' 0 CA--C 1.546 0.811 0 O-C-N 124.101 0.876 . . . . 75.33 112.074 -177.735 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 136' ' ' LYS . . . . . 0.521 ' HZ2' ' HB3' ' B' ' 136' ' ' LYS . 8.6 mtpm? -72.86 -35.22 67.16 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.127 0.571 . . . . 74.14 110.559 171.434 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -75.43 -42.38 53.62 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.441 0.696 . . . . 64.41 111.877 -177.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 138' ' ' THR . . . . . 0.42 HG23 ' O ' ' B' ' 134' ' ' LEU . 12.2 t -99.3 171.52 7.93 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 114.055 1.131 . . . . 70.35 114.055 -164.116 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -89.12 -17.4 29.3 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 125.419 1.488 . . . . 74.22 110.731 170.085 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 140' ' ' ARG . . . . . . . . . . . . . 21.2 tpp180 -64.62 171.74 3.12 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 124.736 1.214 . . . . 71.43 109.533 174.489 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -38.76 141.38 0.28 Allowed 'General case' 0 N--CA 1.496 1.827 0 C-N-CA 124.991 1.316 . . . . 74.44 114.315 -168.064 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 142' ' ' GLU . . . . . 0.432 ' HA ' ' HB2' ' B' ' 135' ' ' GLU . 14.3 pt-20 -129.3 91.55 3.2 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 107.32 -1.363 . . . . 71.51 107.32 175.03 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 48.5 ttt180 -113.43 -48.17 2.96 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 114.352 -1.294 . . . . 74.11 111.913 -161.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 144' ' ' PHE . . . . . 0.607 ' HB3' ' HZ1' ' B' ' 131' ' ' LYS . 61.7 t80 . . . . . 0 CA--C 1.554 1.123 0 CA-C-O 118.45 -0.786 . . . . 75.43 109.494 -169.251 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 . . . . . 0 N--CA 1.481 1.111 0 N-CA-C 112.366 0.506 . . . . 75.24 112.366 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -55.75 -54.46 44.06 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.855 0.862 . . . . 74.2 113.298 -174.191 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.69 -40.63 84.17 Favored 'General case' 0 N--CA 1.485 1.294 0 CA-C-O 121.426 0.632 . . . . 74.1 110.886 -174.495 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.8 -33.05 25.03 Favored 'General case' 0 C--O 1.21 -1.022 0 CA-C-N 115.256 -0.884 . . . . 74.54 110.478 -173.611 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.408 HD22 ' HD1' ' B' ' 106' ' ' TYR . 22.9 tp -66.54 -35.48 80.34 Favored 'General case' 0 N--CA 1.49 1.575 0 N-CA-C 109.091 -0.707 . . . . 73.12 109.091 179.411 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.53 ' HA ' HD12 ' B' ' 105' ' ' LEU . 25.8 t80 -55.88 -43.46 77.21 Favored 'General case' 0 C--O 1.215 -0.745 0 CA-C-N 114.248 -1.342 . . . . 74.33 109.301 172.692 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -69.85 -39.73 76.22 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 124.143 0.902 . . . . 72.33 112.863 175.224 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.9 mm-40 -62.93 -61.5 2.35 Favored 'General case' 0 N--CA 1.491 1.614 0 CA-C-N 118.306 0.503 . . . . 74.24 111.262 -173.208 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.0 mt -58.36 -49.6 81.45 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.998 0 O-C-N 123.752 0.657 . . . . 74.34 111.235 177.588 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.556 ' HA ' ' HB3' ' A' ' 13' ' ' ASN . 14.4 tp -68.21 -23.41 64.82 Favored 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 113.062 0.764 . . . . 73.43 113.062 -175.285 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.18 -46.43 80.82 Favored 'General case' 0 N--CA 1.483 1.204 0 CA-C-O 121.252 0.549 . . . . 74.14 109.684 174.502 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.482 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 50.7 tp10 -66.43 -43.58 85.26 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 114.83 -1.077 . . . . 73.22 109.973 174.307 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.556 ' HB3' ' HA ' ' A' ' 10' ' ' LEU . 23.5 t-20 -61.31 -41.39 96.93 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 124.849 1.26 . . . . 75.0 111.859 -176.538 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -66.34 -48.14 71.2 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.208 1.003 . . . . 72.45 109.589 177.47 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 25.9 ttpt -55.37 -43.8 75.43 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 115.15 -0.932 . . . . 74.54 110.274 176.486 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.482 ' HG ' ' O ' ' A' ' 12' ' ' GLU . 82.7 mt -66.85 -32.24 73.38 Favored 'General case' 0 C--N 1.354 0.801 0 CA-C-N 115.111 -0.95 . . . . 73.52 110.821 -178.715 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.93 -37.71 86.74 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.57 0.748 . . . . 74.34 110.145 176.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.56 -55.11 7.42 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 115.001 -1.0 . . . . 65.35 110.819 -176.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -66.18 -33.96 76.94 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 115.525 -0.762 . . . . 73.53 112.215 -177.834 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.3 pp -66.31 -46.47 76.8 Favored 'General case' 0 N--CA 1.483 1.175 0 N-CA-C 109.482 -0.562 . . . . 75.03 109.482 176.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 27.5 t-80 -58.98 -41.48 87.67 Favored 'General case' 0 C--N 1.355 0.825 0 O-C-N 124.333 1.021 . . . . 72.15 108.994 -177.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -66.6 -42.12 87.4 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 114.671 -1.149 . . . . 75.1 111.544 -179.38 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.463 HG22 ' ND2' ' B' ' 124' ' ' ASN . 6.9 m -71.28 -31.96 68.11 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 122.824 0.45 . . . . 73.44 110.567 179.777 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.5 ' ND2' HG21 ' B' ' 123' ' ' THR . 1.1 m-80 -73.94 -39.49 63.73 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.153 0.581 . . . . 75.13 110.089 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.451 ' HA ' ' HE2' ' A' ' 25' ' ' MET . 26.5 mmt -62.23 -52.59 63.15 Favored 'General case' 0 C--N 1.35 0.607 0 C-N-CA 122.688 0.395 . . . . 73.24 110.779 177.386 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -70.46 -21.19 62.82 Favored 'General case' 0 C--O 1.214 -0.781 0 CA-C-O 119.256 -0.402 . . . . 73.24 111.658 -179.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.1 tt -64.23 -44.03 93.14 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 109.255 -0.646 . . . . 73.23 109.255 169.075 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 25.6 m -62.13 -47.02 86.42 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.259 0.624 . . . . 74.45 110.526 178.548 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.527 ' O ' ' HG2' ' A' ' 33' ' ' GLN . 16.6 m-20 -59.1 -52.85 63.97 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 115.4 -0.818 . . . . 75.31 110.106 176.558 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.47 HD13 ' NE2' ' A' ' 41' ' ' GLN . 1.7 mm? -58.62 -50.38 74.06 Favored 'General case' 0 C--N 1.355 0.823 0 O-C-N 124.096 0.873 . . . . 74.42 111.392 -175.035 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.401 ' HE2' ' HB2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -66.82 -33.93 76.69 Favored 'General case' 0 N--CA 1.48 1.067 0 O-C-N 123.585 0.553 . . . . 75.33 111.335 -175.456 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.4 tt -63.86 -58.47 6.71 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.743 0.817 . . . . 61.44 110.184 -179.538 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.565 HE21 ' HB3' ' A' ' 41' ' ' GLN . 12.1 pt20 -66.21 -37.6 85.96 Favored 'General case' 0 C--O 1.251 1.169 0 CA-C-N 115.94 -0.573 . . . . 75.5 110.799 -178.238 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -51.65 -60.02 3.63 Favored 'General case' 0 C--N 1.351 0.648 0 C-N-CA 124.462 1.105 . . . . 75.53 109.689 -177.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -68.84 -24.89 64.42 Favored 'General case' 0 C--N 1.363 1.154 0 O-C-N 125.986 2.054 . . . . 72.12 112.33 -176.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 52.4 mtpt -68.27 -12.9 61.78 Favored 'General case' 0 N--CA 1.493 1.685 0 C-N-CA 122.336 0.255 . . . . 75.14 111.077 167.45 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 82.16 58.01 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 126.308 1.843 . . . . 74.12 108.486 174.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 3.7 t -84.76 179.5 7.33 Favored 'General case' 0 N--CA 1.496 1.846 0 CA-C-N 114.386 -1.279 . . . . 72.03 111.028 -176.168 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.628 ' HA ' HG21 ' B' ' 138' ' ' THR . 10.2 pt20 -112.43 -48.55 3.01 Favored 'General case' 0 C--O 1.239 0.539 0 C-N-CA 123.098 0.559 . . . . 75.04 112.009 178.176 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.612 ' HG3' ' HB3' ' B' ' 141' ' ' GLN . 63.5 ttt180 -143.31 144.49 32.12 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-O 121.202 0.525 . . . . 73.54 112.366 -171.024 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.565 ' HB3' HE21 ' A' ' 33' ' ' GLN . 2.1 pm0 -94.35 168.91 10.6 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.725 1.21 . . . . 72.11 109.356 168.84 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -108.61 -37.85 5.82 Favored 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 110.009 -0.367 . . . . 75.02 110.009 173.525 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 56.7 mtp180 59.87 -81.89 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 125.2 1.4 . . . . 72.23 111.418 -174.565 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 86.3 t80 . . . . . 0 N--CA 1.477 0.912 0 C-N-CA 124.193 0.997 . . . . 75.22 109.647 173.748 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 . . . . . 0 C--O 1.224 -0.245 0 CA-C-O 120.949 0.404 . . . . 74.12 110.283 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 102' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -74.23 -37.78 63.73 Favored 'General case' 0 C--O 1.243 0.757 0 C-N-CA 123.691 0.796 . . . . 70.01 111.695 -172.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.49 -45.29 80.12 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-O 120.988 0.423 . . . . 73.43 109.95 179.327 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 104' ' ' LYS . . . . . 0.473 ' O ' ' HG2' ' B' ' 108' ' ' GLN . 0.0 OUTLIER -72.34 -33.99 67.71 Favored 'General case' 0 C--O 1.215 -0.724 0 CA-C-N 115.375 -0.83 . . . . 73.42 109.869 -176.587 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . 0.53 HD12 ' HA ' ' A' ' 6' ' ' TYR . 2.3 tp -53.54 -54.03 43.14 Favored 'General case' 0 C--O 1.252 1.231 0 C-N-CA 123.603 0.761 . . . . 72.41 109.653 175.761 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 106' ' ' TYR . . . . . 0.408 ' HD1' HD22 ' A' ' 5' ' ' LEU . 17.1 t80 -60.23 -40.21 89.37 Favored 'General case' 0 C--O 1.212 -0.871 0 O-C-N 124.335 1.022 . . . . 74.21 109.25 -177.843 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -63.76 -44.42 93.5 Favored 'General case' 0 C--O 1.219 -0.523 0 N-CA-C 112.321 0.489 . . . . 73.11 112.321 178.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 108' ' ' GLN . . . . . 0.473 ' HG2' ' O ' ' B' ' 104' ' ' LYS . 10.2 mm-40 -68.36 -66.2 0.6 Allowed 'General case' 0 N--CA 1.483 1.204 0 CA-C-N 117.957 0.344 . . . . 74.24 110.852 -173.63 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 16.8 mt -68.66 -37.79 78.07 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.157 0 CA-C-O 119.069 -0.491 . . . . 74.35 111.391 -172.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -71.48 -36.49 71.16 Favored 'General case' 0 N--CA 1.5 2.031 0 CA-C-N 118.481 0.582 . . . . 74.41 111.014 -178.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -61.62 -42.12 98.45 Favored 'General case' 0 N--CA 1.485 1.324 0 CA-C-N 118.241 0.473 . . . . 64.54 110.028 175.515 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 112' ' ' GLU . . . . . 0.508 ' O ' ' HG ' ' B' ' 116' ' ' LEU . 25.0 tp10 -67.47 -40.01 85.3 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 115.112 -0.949 . . . . 75.45 110.629 177.196 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -66.08 -36.53 83.44 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 124.691 1.196 . . . . 71.33 110.579 -176.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -65.41 -47.15 77.26 Favored 'General case' 0 C--O 1.24 0.578 0 CA-C-N 114.258 -1.337 . . . . 70.5 109.912 174.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 9.7 ttpt -57.78 -38.87 76.21 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 115.612 -0.722 . . . . 74.2 110.113 175.356 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 116' ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' B' ' 112' ' ' GLU . 98.3 mt -67.87 -33.46 74.79 Favored 'General case' 0 C--N 1.359 1.001 0 C-N-CA 123.582 0.753 . . . . 74.33 111.326 179.655 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -64.45 -43.61 93.72 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 123.461 0.704 . . . . 74.11 110.669 176.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -75.57 -41.32 55.02 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 114.816 -1.084 . . . . 72.2 111.166 -174.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 119' ' ' GLN . . . . . 0.4 ' HG3' ' HA ' ' B' ' 116' ' ' LEU . 5.4 pp0? -69.98 -37.94 75.88 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 116.535 -0.302 . . . . 75.04 110.784 -178.683 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.13 -44.34 80.09 Favored 'General case' 0 C--N 1.363 1.175 0 N-CA-C 109.406 -0.59 . . . . 72.23 109.406 -178.64 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 121' ' ' HIS . . . . . 0.461 ' O ' ' HG3' ' B' ' 125' ' ' MET . 55.8 t60 -61.26 -44.24 97.56 Favored 'General case' 0 C--N 1.356 0.874 0 O-C-N 124.17 0.919 . . . . 73.23 109.256 -179.758 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 122' ' ' ASP . . . . . 0.435 ' O ' ' HG3' ' B' ' 126' ' ' GLU . 19.9 t70 -61.66 -44.35 97.14 Favored 'General case' 0 N--CA 1.477 0.921 0 O-C-N 124.466 1.104 . . . . 70.14 111.161 178.054 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 123' ' ' THR . . . . . 0.5 HG21 ' ND2' ' A' ' 24' ' ' ASN . 70.4 m -64.3 -35.35 80.56 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.758 0.823 . . . . 60.21 110.528 179.313 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 124' ' ' ASN . . . . . 0.463 ' ND2' HG22 ' A' ' 23' ' ' THR . 0.9 OUTLIER -67.09 -38.75 86.23 Favored 'General case' 0 C--O 1.22 -0.462 0 CA-C-N 115.428 -0.805 . . . . 65.43 109.7 176.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 125' ' ' MET . . . . . 0.461 ' HG3' ' O ' ' B' ' 121' ' ' HIS . 32.5 mtm -62.37 -37.78 87.05 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.04 0.536 . . . . 74.55 111.771 174.123 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 126' ' ' GLU . . . . . 0.435 ' HG3' ' O ' ' B' ' 122' ' ' ASP . 22.8 mt-10 -68.56 -40.59 80.53 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-O 121.143 0.497 . . . . 72.14 109.937 177.385 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 127' ' ' LEU . . . . . 0.401 HD21 HG23 ' A' ' 23' ' ' THR . 42.4 tp -65.79 -35.94 82.12 Favored 'General case' 0 CA--C 1.551 0.982 0 CA-C-N 115.52 -0.763 . . . . 72.13 110.65 177.083 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 128' ' ' THR . . . . . 0.406 ' HA ' ' HB3' ' B' ' 131' ' ' LYS . 15.0 m -76.4 -24.36 54.07 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.562 0.745 . . . . 52.32 110.225 177.614 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 129' ' ' ASP . . . . . 0.437 ' O ' ' HG3' ' B' ' 133' ' ' GLN . 16.0 t70 -68.25 -48.55 64.77 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.648 0.779 . . . . 74.14 109.995 174.057 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 130' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' B' ' 126' ' ' GLU . 63.4 mt -64.54 -36.67 84.97 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.833 0.853 . . . . 74.15 110.761 178.29 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 131' ' ' LYS . . . . . 0.406 ' HB3' ' HA ' ' B' ' 128' ' ' THR . 24.0 tptp -58.47 -47.66 83.32 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.311 1.444 . . . . 75.11 110.582 172.203 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 50.1 tp -68.25 -38.71 82.08 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.313 0.645 . . . . 75.33 110.915 -179.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 133' ' ' GLN . . . . . 0.437 ' HG3' ' O ' ' B' ' 129' ' ' ASP . 42.7 mt-30 -71.05 -27.79 63.9 Favored 'General case' 0 C--O 1.218 -0.577 0 CA-C-N 116.312 -0.404 . . . . 74.21 110.807 179.532 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 11.5 tp -80.78 -34.43 34.16 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.151 0.58 . . . . 74.11 111.209 -175.433 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 135' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -74.29 -27.92 60.95 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 116.262 -0.426 . . . . 70.32 110.001 174.179 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 58.3 mtpt -83.94 -24.47 30.68 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.05 0.54 . . . . 72.11 111.619 173.338 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -69.5 -37.16 77.09 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 109.292 -0.632 . . . . 73.04 109.292 175.336 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 138' ' ' THR . . . . . 0.628 HG21 ' HA ' ' A' ' 39' ' ' GLN . 1.3 t -158.14 -75.84 0.08 Allowed 'General case' 0 CA--C 1.551 0.993 0 CA-C-N 115.075 -0.966 . . . . 72.42 110.647 -178.857 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 139' ' ' GLN . . . . . 0.455 ' NE2' ' H ' ' B' ' 140' ' ' ARG . 0.6 OUTLIER -162.38 -41.26 0.04 OUTLIER 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 122.891 0.476 . . . . 75.12 111.908 -172.823 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 140' ' ' ARG . . . . . 0.455 ' H ' ' NE2' ' B' ' 139' ' ' GLN . 4.6 tmt_? 66.44 155.87 0.1 Allowed 'General case' 0 CA--C 1.567 1.63 0 C-N-CA 124.553 1.141 . . . . 75.31 111.378 -176.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 141' ' ' GLN . . . . . 0.612 ' HB3' ' HG3' ' A' ' 40' ' ' ARG . 2.4 pt20 -58.43 152.11 18.57 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.314 0.645 . . . . 72.33 111.156 -178.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -109.23 25.61 11.6 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 109.164 -0.68 . . . . 71.11 109.164 -179.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 31.3 ttm180 -63.57 -52.92 58.92 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.922 1.289 . . . . 74.24 110.975 174.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 144' ' ' PHE . . . . . . . . . . . . . 56.5 t80 . . . . . 0 C--O 1.252 1.236 0 N-CA-C 107.831 -1.174 . . . . 74.34 107.831 174.024 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.538 ' O ' ' HG3' ' A' ' 4' ' ' LYS . 5.0 m-20 . . . . . 0 N--CA 1.476 0.848 0 CA-C-O 121.192 0.52 . . . . 71.43 110.344 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -66.99 -21.63 65.95 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 114.699 1.37 . . . . 75.45 114.699 -167.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.4 -41.15 93.93 Favored 'General case' 0 N--CA 1.482 1.149 0 CA-C-N 118.116 0.417 . . . . 73.25 110.022 176.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.538 ' HG3' ' O ' ' A' ' 1' ' ' ASP . 0.0 OUTLIER -78.37 -30.56 48.02 Favored 'General case' 0 C--O 1.21 -1.008 0 N-CA-C 109.073 -0.714 . . . . 72.42 109.073 179.391 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 43.3 tp -53.22 -45.27 68.61 Favored 'General case' 0 N--CA 1.493 1.721 0 C-N-CA 123.139 0.576 . . . . 75.53 110.208 175.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.419 ' HA ' HD13 ' B' ' 105' ' ' LEU . 20.0 t80 -54.53 -52.13 63.0 Favored 'General case' 0 C--N 1.349 0.574 0 O-C-N 124.835 1.334 . . . . 74.4 109.797 175.016 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -62.49 -34.19 76.36 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 124.567 1.167 . . . . 73.25 113.393 -177.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.439 ' HG2' ' O ' ' A' ' 4' ' ' LYS . 12.9 mm-40 -67.24 -56.9 7.91 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 122.804 0.442 . . . . 70.41 110.657 -176.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.3 mt -60.41 -46.16 95.59 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.905 0 O-C-N 123.85 0.719 . . . . 74.05 110.769 177.198 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.04 -31.78 72.53 Favored 'General case' 0 N--CA 1.493 1.69 0 C-N-CA 124.497 1.119 . . . . 64.32 111.495 -173.801 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.11 -39.19 72.23 Favored 'General case' 0 N--CA 1.483 1.19 0 N-CA-C 109.756 -0.461 . . . . 71.25 109.756 176.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.431 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 30.6 tp10 -72.52 -29.63 63.77 Favored 'General case' 0 CA--C 1.547 0.865 0 CA-C-N 115.697 -0.683 . . . . 62.02 110.573 175.016 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -74.49 -40.56 61.74 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 124.475 1.11 . . . . 73.13 109.622 -178.08 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -62.23 -46.44 88.86 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.818 1.247 . . . . 65.25 109.458 171.642 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.3 ttpt -56.51 -46.03 80.75 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 124.284 0.99 . . . . 72.53 110.205 178.585 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.47 ' HB3' ' HB3' ' B' ' 116' ' ' LEU . 89.2 mt -66.96 -30.88 71.13 Favored 'General case' 0 N--CA 1.48 1.056 0 O-C-N 124.127 0.892 . . . . 74.32 111.596 -179.08 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.558 ' HA ' HD22 ' A' ' 20' ' ' LEU . 0.3 OUTLIER -69.96 -35.09 74.2 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 123.428 0.691 . . . . 74.41 109.618 174.398 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.64 -53.95 9.27 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.39 0.676 . . . . 73.5 110.313 -175.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -67.32 -27.84 67.49 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 123.701 0.801 . . . . 75.32 112.15 -178.43 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.558 HD22 ' HA ' ' A' ' 17' ' ' LYS . 0.4 OUTLIER -65.58 -44.71 85.82 Favored 'General case' 0 N--CA 1.481 1.107 0 N-CA-C 108.754 -0.832 . . . . 73.12 108.754 171.615 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -59.07 -38.41 79.37 Favored 'General case' 0 C--N 1.358 0.959 0 O-C-N 123.638 0.586 . . . . 71.52 110.446 -179.122 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -62.71 -54.82 33.52 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 123.764 0.665 . . . . 71.32 110.54 174.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.485 HG23 ' ND2' ' B' ' 124' ' ' ASN . 7.2 m -67.05 -28.52 68.28 Favored 'General case' 0 N--CA 1.482 1.131 0 O-C-N 123.643 0.59 . . . . 75.32 112.064 -175.096 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.492 ' ND2' HG21 ' B' ' 123' ' ' THR . 0.9 OUTLIER -75.18 -48.9 21.33 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.566 0.746 . . . . 54.22 110.212 -178.411 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.458 ' HE3' ' HA ' ' A' ' 25' ' ' MET . 9.8 mmt -62.9 -44.56 95.76 Favored 'General case' 0 C--N 1.351 0.648 0 CA-C-N 115.757 -0.656 . . . . 74.21 111.123 178.308 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.418 ' HG2' ' HA ' ' A' ' 23' ' ' THR . 11.8 pt-20 -75.8 -28.03 58.19 Favored 'General case' 0 C--O 1.205 -1.242 0 CA-C-O 118.605 -0.712 . . . . 74.14 110.814 -176.727 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 63.4 tp -61.06 -48.65 80.77 Favored 'General case' 0 C--N 1.359 1.0 0 CA-C-N 118.461 0.573 . . . . 74.41 110.181 170.371 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 24.1 m -64.17 -38.9 92.7 Favored 'General case' 0 CA--C 1.546 0.819 0 O-C-N 123.818 0.699 . . . . 75.11 110.499 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.409 ' O ' ' HG2' ' A' ' 33' ' ' GLN . 16.7 t70 -65.65 -45.74 81.86 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.581 1.152 . . . . 65.31 110.498 177.236 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.5 HD13 ' NE2' ' A' ' 33' ' ' GLN . 15.0 tp -71.21 -36.01 71.74 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.35 1.06 . . . . 73.22 109.984 -173.283 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.49 -28.94 37.39 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.599 0.76 . . . . 72.4 109.965 -177.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.2 tt -65.97 -52.71 47.2 Favored 'General case' 0 C--N 1.345 0.386 0 C-N-CA 123.622 0.769 . . . . 62.11 109.017 178.121 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.5 ' NE2' HD13 ' A' ' 30' ' ' LEU . 6.3 pt20 -69.34 -32.62 71.83 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-N 115.969 -0.559 . . . . 73.13 110.683 178.42 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 19.7 tp -45.76 -63.39 0.98 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 123.981 0.801 . . . . 72.41 110.356 176.076 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -71.61 -28.64 63.93 Favored 'General case' 0 C--N 1.358 0.965 0 O-C-N 126.569 2.418 . . . . 74.34 111.899 -173.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 30.4 mtpp -64.47 -12.8 47.47 Favored 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 122.87 0.468 . . . . 73.33 111.051 167.455 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 82.24 62.09 0.02 OUTLIER 'General case' 0 C--N 1.356 0.869 0 C-N-CA 126.047 1.739 . . . . 72.04 108.837 173.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 13.2 t -68.05 -179.78 1.31 Allowed 'General case' 0 N--CA 1.484 1.247 0 CA-C-N 113.649 -1.614 . . . . 73.41 112.921 -173.006 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.508 ' HA ' ' HG1' ' B' ' 138' ' ' THR . 2.0 pt20 -119.37 -57.58 1.98 Allowed 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.097 0.959 . . . . 72.23 109.717 174.119 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.445 ' H ' ' HG3' ' A' ' 39' ' ' GLN . 32.4 ptt180 -121.68 -167.42 1.52 Allowed 'General case' 0 N--CA 1.476 0.829 0 CA-C-O 121.945 0.878 . . . . 75.31 110.762 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -136.85 159.41 41.95 Favored 'General case' 0 C--O 1.243 0.736 0 N-CA-C 106.733 -1.58 . . . . 71.55 106.733 159.845 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -133.33 33.79 3.56 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 108.492 -0.929 . . . . 74.12 108.492 -176.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 5.0 ttt85 -41.51 -51.97 3.76 Favored 'General case' 0 C--N 1.358 0.948 0 C-N-CA 126.71 2.004 . . . . 75.41 111.995 171.08 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 31.5 t80 . . . . . 0 N--CA 1.472 0.648 0 N-CA-C 109.092 -0.707 . . . . 74.34 109.092 174.658 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 . . . . . 0 N--CA 1.469 0.523 0 CA-C-O 120.909 0.385 . . . . 71.14 110.777 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 102' ' ' PHE . . . . . 0.476 ' O ' ' HG ' ' B' ' 105' ' ' LEU . 94.8 m-85 -90.81 -12.91 34.97 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.495 0.718 . . . . 72.52 112.239 -174.817 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.84 -32.28 70.53 Favored 'General case' 0 N--CA 1.479 1.025 0 CA-C-O 121.45 0.643 . . . . 74.11 109.939 178.284 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 104' ' ' LYS . . . . . 0.446 ' O ' ' HG2' ' B' ' 108' ' ' GLN . 0.0 OUTLIER -76.98 -27.73 54.85 Favored 'General case' 0 C--O 1.209 -1.029 0 CA-C-N 114.949 -1.023 . . . . 74.42 109.652 -179.462 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' B' ' 102' ' ' PHE . 0.6 OUTLIER -61.29 -39.55 90.85 Favored 'General case' 0 C--N 1.378 1.838 0 N-CA-C 107.77 -1.196 . . . . 74.45 107.77 175.036 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 106' ' ' TYR . . . . . 0.427 ' O ' ' HB2' ' B' ' 110' ' ' LEU . 32.9 t80 -55.93 -52.6 63.57 Favored 'General case' 0 C--N 1.368 1.41 0 O-C-N 124.662 1.226 . . . . 74.34 108.887 174.208 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -59.53 -39.11 82.87 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.011 0.924 . . . . 75.54 113.038 -178.374 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 108' ' ' GLN . . . . . 0.446 ' HG2' ' O ' ' B' ' 104' ' ' LYS . 8.7 mm-40 -66.84 -61.59 1.88 Allowed 'General case' 0 N--CA 1.483 1.215 0 CA-C-O 120.815 0.341 . . . . 75.03 110.566 -176.025 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 11.7 mt -68.77 -34.49 65.0 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.901 0 CA-C-N 115.293 -0.867 . . . . 75.23 110.903 -173.532 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 110' ' ' LEU . . . . . 0.427 ' HB2' ' O ' ' B' ' 106' ' ' TYR . 0.6 OUTLIER -69.4 -36.57 76.87 Favored 'General case' 0 N--CA 1.492 1.638 0 C-N-CA 123.849 0.86 . . . . 75.4 110.377 179.443 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.72 -41.81 95.69 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 122.736 0.414 . . . . 71.22 110.429 174.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -67.9 -36.51 80.34 Favored 'General case' 0 CA--C 1.559 1.292 0 CA-C-N 115.559 -0.746 . . . . 75.33 110.274 175.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -70.94 -35.9 72.4 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 125.045 1.338 . . . . 74.41 109.892 -177.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -61.66 -50.57 71.98 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.623 1.169 . . . . 74.52 109.271 173.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 15.7 ttpt -57.43 -46.08 83.95 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 124.597 1.186 . . . . 75.13 110.143 179.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 116' ' ' LEU . . . . . 0.47 ' HB3' ' HB3' ' A' ' 16' ' ' LEU . 93.5 mt -67.85 -29.11 68.16 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 115.594 -0.73 . . . . 65.15 111.694 -178.807 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . 0.519 ' HA ' HD21 ' B' ' 120' ' ' LEU . 0.2 OUTLIER -71.51 -38.81 71.08 Favored 'General case' 0 CA--C 1.555 1.136 0 N-CA-C 108.716 -0.846 . . . . 74.44 108.716 176.106 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -73.04 -44.59 60.56 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.256 1.022 . . . . 71.03 111.575 -175.055 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -72.06 -36.09 69.48 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 115.664 -0.698 . . . . 73.15 111.029 -177.261 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 120' ' ' LEU . . . . . 0.519 HD21 ' HA ' ' B' ' 117' ' ' LYS . 0.5 OUTLIER -64.27 -41.96 96.67 Favored 'General case' 0 C--N 1.362 1.15 0 N-CA-C 109.483 -0.562 . . . . 65.22 109.483 175.705 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 9.8 t-80 -52.73 -48.38 66.74 Favored 'General case' 0 C--N 1.36 1.024 0 O-C-N 124.178 0.924 . . . . 73.55 109.991 176.116 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 122' ' ' ASP . . . . . 0.468 ' O ' ' HG2' ' B' ' 126' ' ' GLU . 76.4 m-20 -63.41 -48.78 76.38 Favored 'General case' 0 CA--C 1.537 0.447 0 O-C-N 124.309 1.006 . . . . 75.13 111.42 -179.631 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 123' ' ' THR . . . . . 0.492 HG21 ' ND2' ' A' ' 24' ' ' ASN . 10.2 m -67.54 -28.5 67.86 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.375 0.67 . . . . 74.21 111.528 -176.665 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 124' ' ' ASN . . . . . 0.485 ' ND2' HG23 ' A' ' 23' ' ' THR . 1.2 m-80 -74.78 -36.02 62.54 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.089 0.556 . . . . 73.14 109.773 176.061 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 125' ' ' MET . . . . . . . . . . . . . 92.4 mmm -68.22 -32.88 73.39 Favored 'General case' 0 C--N 1.358 0.96 0 C-N-CA 123.131 0.573 . . . . 74.44 111.325 172.167 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 126' ' ' GLU . . . . . 0.468 ' HG2' ' O ' ' B' ' 122' ' ' ASP . 23.3 mm-40 -64.06 -40.91 97.3 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 109.568 -0.53 . . . . 74.01 109.568 173.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 9.2 tt -73.3 -30.87 63.69 Favored 'General case' 0 CA--C 1.553 1.061 0 O-C-N 124.247 0.967 . . . . 71.32 110.625 179.275 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 128' ' ' THR . . . . . . . . . . . . . 87.0 m -67.23 -48.28 68.26 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-O 121.635 0.731 . . . . 72.15 109.822 175.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 129' ' ' ASP . . . . . 0.432 ' O ' ' HG3' ' B' ' 133' ' ' GLN . 25.1 t70 -61.74 -36.13 80.11 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 114.532 -1.213 . . . . 75.14 109.94 175.296 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 130' ' ' LEU . . . . . 0.459 HD12 ' HG ' ' A' ' 30' ' ' LEU . 0.3 OUTLIER -65.95 -51.94 54.14 Favored 'General case' 0 C--N 1.342 0.272 0 CA-C-N 115.509 -0.769 . . . . 74.14 110.517 -176.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.61 -25.47 65.77 Favored 'General case' 0 CA--C 1.551 0.99 0 O-C-N 123.485 0.491 . . . . 75.35 110.689 -176.468 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 132' ' ' LEU . . . . . 0.602 ' HG ' ' HE2' ' B' ' 136' ' ' LYS . 57.1 tp -66.09 -52.74 45.98 Favored 'General case' 0 CA--C 1.559 1.31 0 CA-C-N 115.878 -0.601 . . . . 73.4 109.937 170.736 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 133' ' ' GLN . . . . . 0.432 ' HG3' ' O ' ' B' ' 129' ' ' ASP . 47.5 mt-30 -58.27 -32.83 68.76 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 123.304 0.642 . . . . 75.43 110.982 174.399 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 10.9 tp -65.59 -47.55 75.35 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.798 1.239 . . . . 65.44 109.812 -171.6 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 135' ' ' GLU . . . . . 0.512 ' HA ' HG21 ' B' ' 138' ' ' THR . 2.5 pp20? -74.2 -22.42 59.39 Favored 'General case' 0 C--N 1.351 0.631 0 O-C-N 124.124 0.89 . . . . 73.44 111.877 179.054 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 136' ' ' LYS . . . . . 0.602 ' HE2' ' HG ' ' B' ' 132' ' ' LEU . 46.3 mttm -72.79 -30.44 64.08 Favored 'General case' 0 N--CA 1.486 1.332 0 CA-C-O 120.675 0.274 . . . . 73.45 111.062 169.054 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -84.38 -21.62 30.79 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.531 0.732 . . . . 74.1 111.822 -179.524 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 138' ' ' THR . . . . . 0.512 HG21 ' HA ' ' B' ' 135' ' ' GLU . 14.3 t -118.9 170.01 9.38 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-O 121.59 0.71 . . . . 71.02 111.51 -179.407 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -102.76 -21.12 14.12 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 114.697 -1.138 . . . . 75.45 109.79 170.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 140' ' ' ARG . . . . . . . . . . . . . 49.6 ttt-85 -75.08 174.33 9.54 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.724 0.81 . . . . 75.41 110.262 -178.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . 0.26 27.2 pt20 57.21 -67.64 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.814 0 C-N-CA 127.49 2.316 . . . . 71.44 114.745 170.605 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 67.29 82.72 0.18 Allowed 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.415 1.086 . . . . 72.43 109.672 179.091 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 19.3 mmm-85 -73.57 -41.53 62.8 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 114.505 -1.225 . . . . 73.25 111.468 -175.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 144' ' ' PHE . . . . . . . . . . . . . 35.4 t80 . . . . . 0 C--O 1.249 1.068 0 CA-C-N 115.598 -0.728 . . . . 75.33 109.549 175.365 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.468 ' HD3' ' H ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.964 0 N-CA-C 109.948 -0.389 . . . . 71.32 109.948 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.468 ' H ' ' HD3' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -72.8 -35.44 67.36 Favored 'General case' 0 C--O 1.209 -1.078 0 CA-C-O 118.464 -0.779 . . . . 63.14 109.825 175.205 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.407 HD21 ' HB2' ' B' ' 106' ' ' TYR . 15.1 tp -50.06 -49.19 52.06 Favored 'General case' 0 N--CA 1.492 1.637 0 C-N-CA 123.464 0.706 . . . . 72.21 110.355 -178.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 27.4 t80 -57.04 -55.7 31.3 Favored 'General case' 0 C--N 1.35 0.615 0 CA-C-N 113.771 -1.559 . . . . 74.23 110.694 174.623 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.5 mm-40 -63.75 -30.63 71.7 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 113.389 0.885 . . . . 63.41 113.389 -173.274 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.468 ' HG2' ' O ' ' A' ' 4' ' ' LYS . 7.3 mm-40 -69.02 -59.22 3.19 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 109.74 -0.467 . . . . 65.53 109.74 -176.295 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.528 HD11 ' CD1' ' B' ' 106' ' ' TYR . 9.9 mt -62.58 -41.8 93.48 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.078 0 C-N-CA 120.685 -0.406 . . . . 63.31 111.57 176.804 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.81 -33.85 76.52 Favored 'General case' 0 N--CA 1.492 1.657 0 C-N-CA 123.576 0.75 . . . . 63.4 111.382 -175.553 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.22 -37.32 80.72 Favored 'General case' 0 N--CA 1.481 1.121 0 N-CA-C 109.915 -0.402 . . . . 72.04 109.915 176.554 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -70.56 -36.57 73.71 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-N 115.972 -0.558 . . . . 74.03 109.711 175.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -65.2 -36.01 82.85 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 125.625 1.57 . . . . 74.23 109.66 178.816 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -65.03 -51.49 61.31 Favored 'General case' 0 C--N 1.353 0.722 0 C-N-CA 125.37 1.468 . . . . 71.11 110.243 174.813 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.7 ttpt -55.85 -47.56 77.06 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 124.141 0.9 . . . . 70.2 109.495 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.406 ' HB3' ' HB3' ' B' ' 116' ' ' LEU . 84.5 mt -61.42 -35.78 78.51 Favored 'General case' 0 C--N 1.352 0.715 0 O-C-N 124.846 1.341 . . . . 64.34 111.804 178.482 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.481 ' HA ' HD23 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -66.0 -39.98 90.76 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 123.11 0.564 . . . . 70.01 110.491 178.192 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.29 -57.98 3.96 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 115.45 -0.795 . . . . 54.3 110.204 -175.337 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.12 -33.34 73.22 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.772 0.829 . . . . 63.44 112.503 -177.185 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.481 HD23 ' HA ' ' A' ' 17' ' ' LYS . 0.8 OUTLIER -65.85 -44.55 85.13 Favored 'General case' 0 C--N 1.36 1.023 0 N-CA-C 108.958 -0.756 . . . . 64.43 108.958 177.244 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.473 ' O ' ' HG3' ' A' ' 25' ' ' MET . 31.9 t60 -59.25 -43.39 92.44 Favored 'General case' 0 C--N 1.361 1.086 0 O-C-N 124.169 0.918 . . . . 72.34 109.794 -178.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -62.65 -40.92 98.57 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 124.133 0.896 . . . . 73.43 111.264 176.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.506 ' HA ' ' HG2' ' A' ' 26' ' ' GLU . 30.3 m -70.02 -28.72 65.71 Favored 'General case' 0 C--N 1.356 0.87 0 O-C-N 123.622 0.576 . . . . 54.41 110.904 178.57 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -70.14 -52.59 22.36 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.277 0.631 . . . . 71.44 109.902 177.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.473 ' HG3' ' O ' ' A' ' 21' ' ' HIS . 37.4 mtp -62.96 -39.52 94.91 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.437 0.695 . . . . 73.44 112.452 179.357 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.506 ' HG2' ' HA ' ' A' ' 23' ' ' THR . 13.5 pt-20 -78.25 -24.32 46.94 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-O 119.424 -0.322 . . . . 74.5 110.37 -179.536 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.44 ' O ' ' HB3' ' A' ' 31' ' ' LYS . 41.8 tp -70.94 -40.85 71.82 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 109.451 -0.574 . . . . 63.13 109.451 171.882 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 71.2 m -67.31 -33.52 75.46 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 123.436 0.694 . . . . 61.14 110.151 177.268 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -62.57 -60.8 3.01 Favored 'General case' 0 C--N 1.357 0.93 0 N-CA-C 109.03 -0.73 . . . . 75.14 109.03 171.395 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -52.58 -44.0 65.63 Favored 'General case' 0 C--N 1.363 1.165 0 O-C-N 124.984 1.428 . . . . 74.41 111.421 -176.247 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.44 ' HB3' ' O ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -63.49 -51.37 65.88 Favored 'General case' 0 C--O 1.25 1.087 0 C-N-CA 125.185 1.394 . . . . 74.5 110.164 -178.512 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 66.8 tp -56.34 -64.46 0.86 Allowed 'General case' 0 C--N 1.351 0.642 0 O-C-N 124.717 1.26 . . . . 53.41 110.258 -176.338 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.45 -39.35 87.22 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.799 0.84 . . . . 73.2 112.455 -177.774 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.529 HD23 HD22 ' B' ' 134' ' ' LEU . 1.3 tm? . . . . . 0 N--CA 1.485 1.289 0 CA-C-O 118.713 -0.66 . . . . 74.43 110.362 -175.322 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 102' ' ' PHE . . . . . 0.459 ' O ' ' HG ' ' B' ' 105' ' ' LEU . 91.6 m-85 . . . . . 0 N--CA 1.479 1.008 0 CA-C-O 121.037 0.446 . . . . 73.03 110.344 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 103' ' ' LYS . . . . . 0.502 ' HD3' ' N ' ' B' ' 104' ' ' LYS . 0.0 OUTLIER -57.73 -31.83 66.84 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 123.297 0.639 . . . . 74.32 110.011 178.075 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 104' ' ' LYS . . . . . 0.502 ' N ' ' HD3' ' B' ' 103' ' ' LYS . 0.0 OUTLIER -75.09 -36.88 61.68 Favored 'General case' 0 C--O 1.214 -0.815 0 CA-C-N 114.127 -1.397 . . . . 61.53 110.141 -177.891 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 105' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' B' ' 102' ' ' PHE . 0.7 OUTLIER -61.47 -40.98 96.49 Favored 'General case' 0 C--N 1.375 1.674 0 N-CA-C 108.266 -1.012 . . . . 74.42 108.266 -179.879 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 106' ' ' TYR . . . . . 0.528 ' CD1' HD11 ' A' ' 9' ' ' ILE . 40.6 t80 -56.46 -50.98 70.14 Favored 'General case' 0 C--N 1.37 1.461 0 CA-C-N 114.769 -1.105 . . . . 73.14 109.355 174.838 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -63.24 -40.06 96.38 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.119 0.968 . . . . 71.21 112.97 -177.273 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 108' ' ' GLN . . . . . 0.478 ' HG2' ' O ' ' B' ' 104' ' ' LYS . 11.2 mm-40 -68.53 -56.82 7.04 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 122.661 0.384 . . . . 72.12 110.545 -174.882 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 17.5 mt -67.17 -38.25 80.75 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.848 0 CA-C-N 115.647 -0.706 . . . . 72.5 110.86 -175.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -69.19 -38.09 78.47 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 123.488 0.715 . . . . 64.41 110.513 -179.089 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -61.42 -43.73 98.37 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 122.664 0.386 . . . . 71.35 110.318 175.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 112' ' ' GLU . . . . . 0.434 ' O ' ' HG ' ' B' ' 116' ' ' LEU . 42.7 tp10 -66.6 -40.09 88.69 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 114.9 -1.046 . . . . 71.51 110.746 175.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -65.55 -41.32 93.15 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 125.096 1.358 . . . . 73.14 110.711 -176.157 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -59.9 -50.27 74.45 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.456 1.102 . . . . 73.12 109.927 172.74 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 23.6 ttpt -58.14 -38.74 77.14 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 114.945 -1.025 . . . . 54.13 110.613 178.442 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 116' ' ' LEU . . . . . 0.45 ' HA ' ' HG3' ' B' ' 119' ' ' GLN . 89.6 mt -69.05 -31.07 69.58 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.539 0.736 . . . . 73.02 111.241 -178.461 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 117' ' ' LYS . . . . . 0.539 ' HA ' HD23 ' B' ' 120' ' ' LEU . 0.3 OUTLIER -68.28 -39.48 82.1 Favored 'General case' 0 CA--C 1.557 1.248 0 C-N-CA 123.736 0.814 . . . . 54.12 109.123 175.183 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -75.41 -44.12 46.33 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.593 0.757 . . . . 74.43 111.497 -176.508 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 119' ' ' GLN . . . . . 0.45 ' HG3' ' HA ' ' B' ' 116' ' ' LEU . 0.0 OUTLIER -70.63 -36.06 73.25 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.353 0.661 . . . . 64.34 110.564 -176.171 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 120' ' ' LEU . . . . . 0.539 HD23 ' HA ' ' B' ' 117' ' ' LYS . 0.7 OUTLIER -63.5 -45.88 88.63 Favored 'General case' 0 C--N 1.36 1.063 0 N-CA-C 108.238 -1.023 . . . . 75.41 108.238 176.289 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 121' ' ' HIS . . . . . 0.508 ' O ' ' HG2' ' B' ' 125' ' ' MET . 23.9 t-80 -59.9 -38.72 83.08 Favored 'General case' 0 C--N 1.362 1.11 0 O-C-N 124.248 0.967 . . . . 73.32 110.447 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 122' ' ' ASP . . . . . 0.446 ' O ' ' HG3' ' B' ' 126' ' ' GLU . 38.6 t70 -64.83 -45.53 85.77 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.043 0.937 . . . . 73.14 110.383 179.624 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 123' ' ' THR . . . . . 0.492 HG22 HG22 ' A' ' 23' ' ' THR . 18.4 m -69.18 -28.36 66.34 Favored 'General case' 0 CA--C 1.557 1.214 0 C-N-CA 124.237 1.015 . . . . 71.22 110.758 177.873 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 124' ' ' ASN . . . . . 0.406 ' OD1' HG21 ' A' ' 23' ' ' THR . 4.2 m-20 -72.04 -39.16 69.29 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.711 0.804 . . . . 75.44 110.506 175.678 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 125' ' ' MET . . . . . 0.508 ' HG2' ' O ' ' B' ' 121' ' ' HIS . 90.1 mmm -63.42 -38.67 92.03 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.104 0.562 . . . . 74.23 111.044 178.127 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 126' ' ' GLU . . . . . 0.446 ' HG3' ' O ' ' B' ' 122' ' ' ASP . 24.2 mt-10 -63.66 -46.95 83.28 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 109.314 -0.625 . . . . 74.41 109.314 173.769 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 127' ' ' LEU . . . . . 0.448 HD22 HG23 ' A' ' 23' ' ' THR . 44.4 tp -61.31 -31.28 71.13 Favored 'General case' 0 CA--C 1.557 1.219 0 C-N-CA 123.96 0.904 . . . . 71.01 111.576 179.122 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 128' ' ' THR . . . . . 0.529 ' HA ' ' HG3' ' B' ' 131' ' ' LYS . 62.5 m -78.85 -33.75 45.62 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 123.728 0.811 . . . . 73.35 110.221 179.111 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 129' ' ' ASP . . . . . 0.434 ' O ' ' HG3' ' B' ' 133' ' ' GLN . 19.3 t70 -63.52 -39.61 94.87 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.335 0.654 . . . . 72.44 109.267 171.27 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -73.54 -34.77 65.37 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.809 0.843 . . . . 75.45 112.648 -176.571 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 131' ' ' LYS . . . . . 0.529 ' HG3' ' HA ' ' B' ' 128' ' ' THR . 0.1 OUTLIER -74.34 -28.34 61.09 Favored 'General case' 0 N--CA 1.49 1.535 0 CA-C-N 118.432 0.56 . . . . 72.54 110.366 175.951 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 51.3 tp -68.77 -51.4 41.58 Favored 'General case' 0 C--N 1.352 0.691 0 O-C-N 123.837 0.711 . . . . 73.41 110.16 175.043 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 133' ' ' GLN . . . . . 0.434 ' HG3' ' O ' ' B' ' 129' ' ' ASP . 67.3 mt-30 -58.92 -32.13 69.28 Favored 'General case' 0 C--N 1.354 0.802 0 C-N-CA 122.933 0.493 . . . . 75.01 110.58 175.72 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 134' ' ' LEU . . . . . 0.529 HD22 HD23 ' A' ' 34' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.476 0.844 0 C-N-CA 124.238 1.015 . . . . 60.24 109.873 -178.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.596 ' HD3' ' H ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.545 0.754 0 CA-C-O 121.088 0.47 . . . . 64.54 110.247 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.596 ' H ' ' HD3' ' A' ' 3' ' ' LYS . 1.5 ptmt -81.81 -25.23 35.37 Favored 'General case' 0 C--O 1.213 -0.828 0 CA-C-N 115.31 -0.859 . . . . 70.21 110.802 -179.221 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 14.8 tp -56.33 -47.54 78.56 Favored 'General case' 0 C--O 1.258 1.54 0 CA-C-O 121.882 0.849 . . . . 53.41 109.161 175.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 22.4 t80 -54.24 -57.07 12.57 Favored 'General case' 0 C--N 1.351 0.661 0 CA-C-N 113.023 -1.899 . . . . 75.31 110.148 173.391 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' A' ' 3' ' ' LYS . 60.4 mm-40 -65.52 -32.06 73.46 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 113.948 1.092 . . . . 72.02 113.948 -170.76 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.41 ' HG2' ' O ' ' A' ' 4' ' ' LYS . 4.8 mm-40 -67.11 -52.11 45.91 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 122.668 0.387 . . . . 74.11 111.604 -178.705 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.495 HD11 ' CD1' ' B' ' 106' ' ' TYR . 17.7 mt -65.84 -40.54 87.89 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.925 0 C-N-CA 120.576 -0.45 . . . . 62.54 110.283 173.88 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.86 -25.68 67.31 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 123.769 0.828 . . . . 72.34 111.077 -177.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.69 -51.14 45.0 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.211 0.604 . . . . 71.01 109.811 175.55 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.461 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 34.4 tp10 -62.26 -34.4 76.48 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 115.393 -0.821 . . . . 75.0 110.077 174.571 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -66.62 -44.89 80.82 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 124.951 1.3 . . . . 53.14 110.787 -177.677 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -61.5 -49.08 78.18 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.785 0.834 . . . . 73.43 109.741 175.198 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 25.2 ttpt -55.85 -45.5 78.45 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 114.825 -1.08 . . . . 75.1 110.519 179.405 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 12' ' ' GLU . 87.4 mt -70.71 -29.38 65.64 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 115.359 -0.837 . . . . 42.3 111.074 -177.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.404 ' HA ' HD23 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -67.32 -37.14 82.83 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 123.713 0.633 . . . . 70.11 110.0 175.616 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.28 -52.99 9.54 Favored 'General case' 0 C--N 1.349 0.558 0 CA-C-N 114.981 -1.009 . . . . 65.43 110.987 -174.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.5 pp0? -67.19 -30.74 70.77 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-O 118.548 -0.739 . . . . 55.33 111.681 -178.15 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 17' ' ' LYS . 0.5 OUTLIER -68.38 -45.92 71.44 Favored 'General case' 0 N--CA 1.485 1.323 0 N-CA-C 109.214 -0.661 . . . . 73.44 109.214 174.792 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 65.1 t60 -56.06 -46.31 78.98 Favored 'General case' 0 N--CA 1.476 0.842 0 O-C-N 124.139 0.9 . . . . 64.35 109.492 178.707 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -64.48 -47.3 79.47 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 114.055 -1.43 . . . . 72.3 110.841 -179.51 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.61 HG22 HG22 ' B' ' 123' ' ' THR . 47.1 m -71.05 -26.5 63.11 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 122.713 0.405 . . . . 74.25 111.214 -177.76 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.403 ' OD1' HG21 ' B' ' 123' ' ' THR . 3.0 m120 -72.69 -41.2 65.58 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 122.641 0.376 . . . . 65.41 110.098 176.815 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 12.3 mmt -68.86 -39.45 79.87 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 122.874 0.47 . . . . 64.12 111.364 -179.427 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.546 ' HG2' ' HA ' ' A' ' 23' ' ' THR . 16.5 pt-20 -79.61 -21.41 44.96 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-O 119.449 -0.31 . . . . 65.23 110.656 179.429 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.7 tt -65.51 -54.4 28.74 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.617 0.767 . . . . 64.11 109.023 169.698 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 18.4 m -58.59 -37.97 76.93 Favored 'General case' 0 C--O 1.248 1.014 0 C-N-CA 123.869 0.868 . . . . 71.25 110.483 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.481 ' O ' ' HG2' ' A' ' 33' ' ' GLN . 15.8 t70 -63.7 -54.1 40.85 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 114.847 -1.069 . . . . 62.34 109.846 175.396 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.513 HD22 HD12 ' B' ' 127' ' ' LEU . 1.6 mp -60.47 -35.91 77.01 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 123.984 0.802 . . . . 60.31 112.081 -172.272 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.445 ' HE2' ' HB2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -78.93 -33.55 45.32 Favored 'General case' 0 N--CA 1.479 1.014 0 O-C-N 123.499 0.5 . . . . 73.32 111.266 -179.682 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 56.6 tp -62.47 -57.13 12.32 Favored 'General case' 0 C--N 1.353 0.728 0 C-N-CA 123.014 0.526 . . . . 63.33 109.609 177.285 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.481 ' HG2' ' O ' ' A' ' 29' ' ' ASP . 8.1 pt20 -63.84 -34.04 77.04 Favored 'General case' 0 CA--C 1.551 1.005 0 CA-C-N 115.619 -0.718 . . . . 74.21 110.893 179.141 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.534 HD13 HD23 ' B' ' 134' ' ' LEU . 24.3 tp . . . . . 0 C--N 1.365 1.271 0 C-N-CA 124.226 1.011 . . . . 73.43 110.669 177.631 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 102' ' ' PHE . . . . . 0.544 ' HD2' HD23 ' B' ' 105' ' ' LEU . 94.0 m-85 . . . . . 0 C--O 1.247 0.94 0 N-CA-C 111.817 0.303 . . . . 64.15 111.817 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.13 -38.28 73.23 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-O 121.32 0.581 . . . . 73.43 109.948 175.649 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 104' ' ' LYS . . . . . 0.446 ' O ' ' HG2' ' B' ' 108' ' ' GLN . 0.0 OUTLIER -68.43 -41.44 80.34 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-N 114.831 -1.077 . . . . 75.4 110.463 -179.625 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 105' ' ' LEU . . . . . 0.544 HD23 ' HD2' ' B' ' 102' ' ' PHE . 0.5 OUTLIER -58.69 -44.03 90.14 Favored 'General case' 0 C--N 1.366 1.323 0 N-CA-C 108.991 -0.744 . . . . 60.51 108.991 -176.192 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 106' ' ' TYR . . . . . 0.495 ' CD1' HD11 ' A' ' 9' ' ' ILE . 37.0 t80 -57.62 -51.85 67.82 Favored 'General case' 0 C--N 1.361 1.071 0 O-C-N 124.614 1.196 . . . . 75.43 110.023 178.069 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -65.18 -38.08 89.37 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 113.186 0.81 . . . . 51.25 113.186 -176.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 108' ' ' GLN . . . . . 0.446 ' HG2' ' O ' ' B' ' 104' ' ' LYS . 9.1 mm-40 -66.98 -54.98 16.54 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 122.651 0.38 . . . . 54.52 110.758 -175.608 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 18.0 mt -65.69 -38.34 82.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 CA-C-N 116.446 -0.343 . . . . 72.52 110.443 -179.471 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.73 -31.46 70.54 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.208 0.603 . . . . 74.05 110.51 179.699 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.88 -46.84 80.09 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 122.678 0.391 . . . . 75.31 110.13 175.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 112' ' ' GLU . . . . . 0.49 ' O ' ' HG ' ' B' ' 116' ' ' LEU . 42.4 tp10 -62.52 -44.9 95.22 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.113 0.565 . . . . 72.52 109.852 174.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -66.0 -37.14 85.16 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 124.74 1.216 . . . . 75.23 110.895 -175.042 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -60.73 -48.9 79.71 Favored 'General case' 0 C--O 1.251 1.155 0 C-N-CA 125.019 1.328 . . . . 72.41 109.547 174.769 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 30.1 ttpt -58.25 -44.17 88.2 Favored 'General case' 0 C--N 1.347 0.457 0 CA-C-N 114.592 -1.185 . . . . 74.23 109.704 175.153 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 116' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' B' ' 112' ' ' GLU . 92.6 mt -61.97 -32.01 72.41 Favored 'General case' 0 C--N 1.355 0.826 0 O-C-N 124.039 0.837 . . . . 75.32 111.44 -175.158 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 117' ' ' LYS . . . . . 0.621 ' HA ' HD23 ' B' ' 120' ' ' LEU . 54.9 mtmt -75.56 -38.79 58.98 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 116.183 -0.462 . . . . 73.15 110.706 177.676 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -72.25 -40.48 67.66 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 122.907 0.483 . . . . 44.31 111.489 -178.629 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.87 -36.93 59.36 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.486 0.714 . . . . 72.3 110.341 -176.468 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 120' ' ' LEU . . . . . 0.621 HD23 ' HA ' ' B' ' 117' ' ' LYS . 0.4 OUTLIER -65.88 -43.23 88.91 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 109.055 -0.72 . . . . 74.25 109.055 176.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 51.0 t-80 -60.98 -40.19 92.49 Favored 'General case' 0 C--N 1.349 0.584 0 O-C-N 124.161 0.913 . . . . 73.35 109.797 -177.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 122' ' ' ASP . . . . . 0.467 ' O ' ' HG3' ' B' ' 126' ' ' GLU . 11.5 t70 -64.06 -48.56 75.78 Favored 'General case' 0 CA--C 1.551 0.982 0 O-C-N 124.324 1.015 . . . . 72.23 109.901 176.402 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 123' ' ' THR . . . . . 0.61 HG22 HG22 ' A' ' 23' ' ' THR . 55.4 m -63.31 -33.47 75.59 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 124.467 1.107 . . . . 70.31 111.417 -179.324 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 124' ' ' ASN . . . . . 0.422 ' OD1' HG21 ' A' ' 23' ' ' THR . 3.4 m-20 -78.4 -32.46 48.77 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.555 0.742 . . . . 75.11 109.748 -177.669 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 125' ' ' MET . . . . . . . . . . . . . 84.0 mmm -65.4 -38.0 88.66 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.22 0.608 . . . . 62.12 111.283 171.383 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 126' ' ' GLU . . . . . 0.467 ' HG3' ' O ' ' B' ' 122' ' ' ASP . 29.9 mt-10 -63.81 -47.52 80.5 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 109.347 -0.612 . . . . 73.04 109.347 174.8 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 127' ' ' LEU . . . . . 0.552 HD22 HG23 ' A' ' 23' ' ' THR . 44.4 tp -58.67 -43.78 90.01 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 124.337 1.055 . . . . 71.12 111.659 178.517 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 128' ' ' THR . . . . . . . . . . . . . 89.3 m -64.62 -38.88 92.51 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.698 0.799 . . . . 64.13 110.299 178.216 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 129' ' ' ASP . . . . . 0.459 ' O ' ' HG3' ' B' ' 133' ' ' GLN . 35.6 t70 -67.85 -36.77 80.91 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 114.828 -1.078 . . . . 52.11 110.375 177.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 130' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' B' ' 126' ' ' GLU . 80.7 mt -68.66 -47.57 66.2 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.559 0.744 . . . . 73.24 110.942 -177.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 131' ' ' LYS . . . . . 0.474 ' HA ' ' HG ' ' B' ' 134' ' ' LEU . 0.1 OUTLIER -61.28 -40.39 93.97 Favored 'General case' 0 N--CA 1.483 1.189 0 N-CA-C 108.419 -0.956 . . . . 71.33 108.419 178.689 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 1.3 tt -59.84 -38.98 83.59 Favored 'General case' 0 C--O 1.246 0.875 0 C-N-CA 125.291 1.436 . . . . 73.12 111.213 176.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 133' ' ' GLN . . . . . 0.459 ' HG3' ' O ' ' B' ' 129' ' ' ASP . 66.6 mt-30 -72.96 -26.39 61.35 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 115.887 -0.597 . . . . 73.1 111.179 176.722 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 134' ' ' LEU . . . . . 0.534 HD23 HD13 ' A' ' 34' ' ' LEU . 15.0 mt . . . . . 0 N--CA 1.5 2.058 0 N-CA-C 109.51 -0.552 . . . . 72.32 109.51 175.64 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.071 0 N-CA-C 109.5 -0.556 . . . . 73.51 109.5 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.436 ' O ' ' HG2' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -82.22 -25.78 33.87 Favored 'General case' 0 C--O 1.212 -0.875 0 CA-C-N 115.599 -0.728 . . . . 72.11 110.369 -179.331 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 16.5 tp -52.21 -46.26 65.57 Favored 'General case' 0 N--CA 1.493 1.697 0 CA-C-O 121.386 0.612 . . . . 64.53 110.573 174.026 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -56.95 -53.87 53.07 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-N 113.9 -1.5 . . . . 64.04 109.622 173.465 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -57.24 -31.78 65.88 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 124.703 1.201 . . . . 72.21 113.066 -178.282 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.436 ' HG2' ' O ' ' A' ' 4' ' ' LYS . 12.0 mm-40 -65.6 -69.99 0.26 Allowed 'General case' 0 N--CA 1.481 1.121 0 O-C-N 123.353 0.408 . . . . 74.32 111.153 -179.166 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.429 HD11 ' CE2' ' B' ' 106' ' ' TYR . 22.6 mt -59.81 -36.62 67.29 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 O-C-N 123.517 0.511 . . . . 71.22 110.863 -178.311 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.5 -31.79 72.17 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.485 0.714 . . . . 75.22 110.8 -179.184 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.99 -47.43 86.47 Favored 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 109.842 -0.429 . . . . 65.32 109.842 176.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.456 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 30.2 tp10 -74.5 -32.05 62.38 Favored 'General case' 0 C--O 1.215 -0.725 0 CA-C-N 115.593 -0.73 . . . . 65.34 110.795 178.803 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -66.49 -49.86 65.18 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.985 0.914 . . . . 64.1 110.357 -177.738 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -54.01 -48.07 70.84 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.758 1.223 . . . . 62.15 110.449 171.355 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.8 ttpt -60.84 -42.01 96.94 Favored 'General case' 0 C--N 1.348 0.536 0 O-C-N 124.238 0.961 . . . . 63.52 110.911 -179.005 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' A' ' 12' ' ' GLU . 79.2 mt -68.11 -29.15 68.0 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.446 0.699 . . . . 65.4 110.893 -178.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.438 ' HE3' ' HB3' ' A' ' 17' ' ' LYS . 0.7 OUTLIER -74.79 -31.65 61.79 Favored 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 123.523 0.729 . . . . 65.23 110.42 173.665 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.41 ' O ' ' HB3' ' A' ' 21' ' ' HIS . . . -74.63 -44.82 48.65 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.392 0.677 . . . . 72.35 110.701 -178.386 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -77.05 -28.6 54.84 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.572 0.749 . . . . 71.5 111.755 -178.51 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.423 ' HB3' HE22 ' B' ' 119' ' ' GLN . 1.0 OUTLIER -65.61 -40.73 92.97 Favored 'General case' 0 C--N 1.364 1.219 0 N-CA-C 108.291 -1.003 . . . . 72.13 108.291 172.295 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.41 ' HB3' ' O ' ' A' ' 18' ' ' ALA . 29.5 t60 -54.21 -49.37 69.57 Favored 'General case' 0 C--N 1.357 0.932 0 O-C-N 124.124 0.89 . . . . 73.31 109.945 176.245 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -53.3 -56.19 18.57 Favored 'General case' 0 N--CA 1.479 0.976 0 O-C-N 123.849 0.718 . . . . 71.42 111.182 177.014 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.633 HG22 HG22 ' B' ' 123' ' ' THR . 41.7 m -70.5 -27.61 64.33 Favored 'General case' 0 CA--C 1.548 0.869 0 O-C-N 124.012 0.82 . . . . 75.05 112.3 -173.552 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.401 ' OD1' HG21 ' B' ' 123' ' ' THR . 4.0 m-20 -70.3 -46.26 64.64 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 123.057 0.543 . . . . 71.04 109.771 177.834 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 32.8 mmt -66.17 -52.46 48.0 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 115.381 -0.827 . . . . 73.23 110.897 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.553 ' HG2' ' HA ' ' A' ' 23' ' ' THR . 13.3 pt-20 -69.35 -18.72 63.83 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 122.674 0.39 . . . . 73.3 111.443 -177.734 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.45 ' HB2' ' O ' ' A' ' 23' ' ' THR . 7.7 tt -67.13 -48.17 68.9 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 108.893 -0.78 . . . . 55.25 108.893 169.644 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 35.0 m -59.42 -40.76 87.73 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 123.91 0.884 . . . . 71.44 110.013 -179.613 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -58.04 -58.48 8.22 Favored 'General case' 0 C--N 1.348 0.523 0 CA-C-N 115.064 -0.971 . . . . 74.45 110.522 170.397 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.573 ' O ' ' HB2' ' A' ' 34' ' ' LEU . 2.2 mm? -61.34 -31.39 71.26 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.866 0.866 . . . . 74.3 112.7 -171.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.0 -34.01 26.42 Favored 'General case' 0 N--CA 1.483 1.175 0 CA-C-N 118.41 0.55 . . . . 72.43 110.181 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.7 tp -64.27 -52.56 58.01 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 123.358 0.663 . . . . 73.54 110.074 178.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.414 HE22 HD13 ' B' ' 134' ' ' LEU . 1.0 OUTLIER -69.63 -32.01 70.46 Favored 'General case' 0 C--O 1.252 1.199 0 CA-C-N 115.421 -0.809 . . . . 75.24 111.107 179.63 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.573 ' HB2' ' O ' ' A' ' 30' ' ' LEU . 2.9 tm? . . . . . 0 C--N 1.359 1.0 0 O-C-N 123.563 0.54 . . . . 53.21 109.707 177.273 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 102' ' ' PHE . . . . . 0.435 ' HD2' HD23 ' B' ' 105' ' ' LEU . 96.2 m-85 . . . . . 0 N--CA 1.478 0.956 0 CA-C-O 120.864 0.364 . . . . 63.52 110.949 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 103' ' ' LYS . . . . . 0.425 ' HD3' ' H ' ' B' ' 104' ' ' LYS . 0.0 OUTLIER -57.4 -31.67 66.07 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-O 121.761 0.791 . . . . 64.31 110.288 176.036 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 104' ' ' LYS . . . . . 0.428 ' O ' ' HG2' ' B' ' 108' ' ' GLN . 0.0 OUTLIER -70.65 -39.2 73.75 Favored 'General case' 0 C--O 1.214 -0.778 0 CA-C-N 114.208 -1.36 . . . . 74.43 110.599 178.303 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 105' ' ' LEU . . . . . 0.435 HD23 ' HD2' ' B' ' 102' ' ' PHE . 0.5 OUTLIER -59.73 -41.4 90.8 Favored 'General case' 0 C--N 1.375 1.715 0 N-CA-C 108.637 -0.875 . . . . 72.3 108.637 -178.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 106' ' ' TYR . . . . . 0.429 ' CE2' HD11 ' A' ' 9' ' ' ILE . 34.3 t80 -55.73 -51.79 66.14 Favored 'General case' 0 C--N 1.357 0.904 0 O-C-N 124.907 1.379 . . . . 75.0 109.297 176.614 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -64.64 -36.37 84.03 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 113.428 0.899 . . . . 73.31 113.428 -178.219 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 108' ' ' GLN . . . . . 0.428 ' HG2' ' O ' ' B' ' 104' ' ' LYS . 9.1 mm-40 -66.74 -59.14 3.83 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 122.717 0.407 . . . . 74.12 110.698 -175.618 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 109' ' ' ILE . . . . . 0.406 HG22 HG22 ' A' ' 9' ' ' ILE . 18.5 mt -63.7 -36.89 78.14 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.812 0 O-C-N 123.943 0.777 . . . . 74.34 110.259 -177.515 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -68.79 -36.78 78.69 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 123.597 0.759 . . . . 60.3 110.628 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -61.61 -43.45 98.84 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 122.605 0.362 . . . . 63.2 110.551 177.167 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 112' ' ' GLU . . . . . 0.463 ' O ' ' HG ' ' B' ' 116' ' ' LEU . 6.3 tp10 -66.45 -45.07 81.03 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 115.381 -0.827 . . . . 62.34 110.371 175.705 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -61.01 -35.8 77.81 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 124.903 1.281 . . . . 54.13 110.822 -177.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 114' ' ' GLU . . . . . 0.698 ' HA ' ' HE2' ' B' ' 117' ' ' LYS . 2.6 tt0 -64.77 -50.71 65.73 Favored 'General case' 0 C--O 1.25 1.087 0 C-N-CA 124.794 1.237 . . . . 54.12 110.043 177.445 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 23.9 ttpt -54.92 -41.58 71.18 Favored 'General case' 0 C--N 1.349 0.576 0 O-C-N 124.237 0.961 . . . . 75.41 110.02 174.694 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 116' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' B' ' 112' ' ' GLU . 93.7 mt -66.0 -32.25 73.62 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 115.252 -0.886 . . . . 54.3 112.036 -176.12 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 117' ' ' LYS . . . . . 0.698 ' HE2' ' HA ' ' B' ' 114' ' ' GLU . 46.4 mtmt -66.04 -45.32 81.84 Favored 'General case' 0 N--CA 1.482 1.138 0 CA-C-O 121.277 0.56 . . . . 64.31 110.116 174.61 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -67.99 -48.76 64.89 Favored 'General case' 0 C--O 1.241 0.64 0 CA-C-N 115.299 -0.864 . . . . 42.54 111.102 -175.702 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 119' ' ' GLN . . . . . 0.423 HE22 ' HB3' ' A' ' 20' ' ' LEU . 5.1 pp0? -66.96 -37.09 83.63 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 123.457 0.703 . . . . 73.13 111.155 -175.415 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 1.1 pp -64.89 -42.08 95.08 Favored 'General case' 0 C--N 1.36 1.053 0 N-CA-C 109.351 -0.611 . . . . 63.4 109.351 178.739 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 121' ' ' HIS . . . . . 0.508 ' O ' ' HG2' ' B' ' 125' ' ' MET . 34.5 t-80 -60.22 -42.51 95.34 Favored 'General case' 0 C--N 1.358 0.965 0 O-C-N 124.008 0.817 . . . . 72.51 109.961 179.106 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -61.47 -48.81 79.41 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 124.03 0.932 . . . . 72.11 111.149 178.522 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 123' ' ' THR . . . . . 0.633 HG22 HG22 ' A' ' 23' ' ' THR . 17.8 m -63.84 -31.98 73.35 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 123.738 0.815 . . . . 51.01 110.687 179.059 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 124' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -72.47 -35.42 68.21 Favored 'General case' 0 C--N 1.351 0.633 0 CA-C-N 115.644 -0.707 . . . . 51.44 110.134 177.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 125' ' ' MET . . . . . 0.508 ' HG2' ' O ' ' B' ' 121' ' ' HIS . 87.8 mmm -63.97 -39.24 93.68 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.171 0.588 . . . . 61.02 112.237 177.01 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 126' ' ' GLU . . . . . 0.491 ' O ' ' HG ' ' B' ' 130' ' ' LEU . 19.3 mt-10 -65.95 -46.38 78.34 Favored 'General case' 0 C--N 1.349 0.571 0 O-C-N 123.702 0.626 . . . . 65.44 109.348 176.735 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 127' ' ' LEU . . . . . 0.541 HD22 HG23 ' A' ' 23' ' ' THR . 41.3 tp -60.62 -37.45 81.48 Favored 'General case' 0 CA--C 1.556 1.199 0 C-N-CA 123.914 0.886 . . . . 75.55 111.235 179.044 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 128' ' ' THR . . . . . . . . . . . . . 29.1 m -67.11 -41.29 86.48 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.429 1.092 . . . . 44.32 110.107 176.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -66.78 -32.74 74.23 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-N 115.267 -0.879 . . . . 74.42 110.668 179.045 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 130' ' ' LEU . . . . . 0.491 ' HG ' ' O ' ' B' ' 126' ' ' GLU . 95.5 mt -71.85 -46.63 57.35 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.446 0.698 . . . . 72.23 111.866 -177.875 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.91 -32.43 72.05 Favored 'General case' 0 N--CA 1.486 1.362 0 CA-C-O 120.933 0.397 . . . . 71.42 110.249 179.261 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 35.1 tp -69.6 -41.4 75.79 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 116.085 -0.507 . . . . 74.23 110.561 176.305 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 133' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -69.51 -20.88 63.71 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 122.686 0.394 . . . . 71.2 110.94 174.721 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 134' ' ' LEU . . . . . 0.414 HD13 HE22 ' A' ' 33' ' ' GLN . 17.1 tp . . . . . 0 N--CA 1.475 0.79 0 C-N-CA 123.498 0.719 . . . . 74.11 110.449 -178.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.475 0.779 0 N-CA-C 109.711 -0.477 . . . . 74.25 109.711 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.41 ' O ' ' HG2' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -78.3 -22.52 48.07 Favored 'General case' 0 C--O 1.215 -0.73 0 N-CA-C 109.386 -0.598 . . . . 74.24 109.386 -178.13 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 24.3 tp -54.32 -41.93 69.57 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.767 0.827 . . . . 73.51 109.957 172.421 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -55.43 -56.14 23.64 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-N 114.319 -1.31 . . . . 74.11 109.416 171.789 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.78 -31.65 64.86 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 113.199 0.814 . . . . 73.51 113.199 179.613 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.41 ' HG2' ' O ' ' A' ' 4' ' ' LYS . 10.1 mm-40 -64.11 -69.31 0.29 Allowed 'General case' 0 N--CA 1.48 1.025 0 O-C-N 123.29 0.369 . . . . 71.15 110.959 -178.17 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.546 HD11 ' CD2' ' B' ' 106' ' ' TYR . 15.4 mt -59.33 -40.76 82.24 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 O-C-N 123.006 0.191 . . . . 64.21 111.011 179.546 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.41 -28.19 69.07 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 123.704 0.801 . . . . 73.35 110.983 -177.069 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.57 -50.18 70.5 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 122.748 0.419 . . . . 74.22 110.202 174.473 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -70.13 -31.31 68.78 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 116.04 -0.527 . . . . 72.01 110.767 177.789 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -64.92 -41.61 95.41 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 124.094 0.958 . . . . 61.01 109.812 179.636 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.402 ' HA ' ' HE2' ' A' ' 17' ' ' LYS . 2.7 tt0 -57.82 -51.0 71.38 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.864 1.266 . . . . 74.24 110.002 173.74 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.8 ttpt -57.37 -45.59 84.25 Favored 'General case' 0 C--O 1.22 -0.484 0 CA-C-N 114.777 -1.102 . . . . 74.11 110.221 178.609 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.474 ' HB3' ' HB3' ' B' ' 116' ' ' LEU . 82.1 mt -64.83 -32.83 74.71 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 123.933 0.893 . . . . 51.11 111.251 -174.268 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.425 ' HA ' HD23 ' A' ' 20' ' ' LEU . 50.7 mtmt -68.74 -38.47 80.17 Favored 'General case' 0 N--CA 1.472 0.673 0 O-C-N 123.464 0.478 . . . . 64.31 110.569 174.218 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.7 -53.54 21.54 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 115.85 -0.614 . . . . 73.44 110.903 -176.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.426 ' OE1' HD22 ' B' ' 120' ' ' LEU . 0.4 OUTLIER -68.72 -32.25 71.9 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.054 0.941 . . . . 65.42 112.797 -177.194 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 17' ' ' LYS . 0.9 OUTLIER -66.36 -42.99 87.23 Favored 'General case' 0 C--N 1.356 0.861 0 N-CA-C 108.617 -0.883 . . . . 72.42 108.617 174.714 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 57.2 t-80 -62.06 -37.82 86.45 Favored 'General case' 0 C--N 1.355 0.843 0 O-C-N 123.969 0.793 . . . . 63.31 110.138 -178.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -59.62 -52.28 66.19 Favored 'General case' 0 C--N 1.353 0.744 0 O-C-N 123.831 0.707 . . . . 73.43 110.429 172.779 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.558 ' HA ' ' HG2' ' A' ' 26' ' ' GLU . 21.4 m -66.92 -27.34 67.41 Favored 'General case' 0 CA--C 1.547 0.851 0 O-C-N 123.829 0.706 . . . . 55.3 112.373 -176.445 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -75.35 -43.1 52.38 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.178 0.591 . . . . 75.5 109.769 177.578 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.28 -38.74 85.56 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.96 -0.563 . . . . 75.23 111.691 179.589 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.558 ' HG2' ' HA ' ' A' ' 23' ' ' THR . 13.3 pt-20 -80.23 -19.55 46.63 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 123.595 0.559 . . . . 74.45 110.376 178.717 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.559 HD22 HG23 ' B' ' 123' ' ' THR . 50.5 tp -69.89 -50.6 40.79 Favored 'General case' 0 C--N 1.353 0.721 0 C-N-CA 123.025 0.53 . . . . 71.51 109.765 171.283 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 88.7 m -63.57 -41.39 98.39 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.053 0.941 . . . . 63.43 110.407 179.123 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.522 ' O ' ' HG2' ' A' ' 33' ' ' GLN . 2.6 t70 -58.18 -52.98 63.31 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 114.281 -1.327 . . . . 72.33 109.978 173.52 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.432 ' HB2' ' O ' ' A' ' 26' ' ' GLU . 0.5 OUTLIER -58.19 -48.76 79.32 Favored 'General case' 0 C--N 1.355 0.831 0 O-C-N 124.204 0.94 . . . . 62.31 111.658 -174.794 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.5 -32.87 72.0 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 123.55 0.531 . . . . 64.32 111.609 -176.672 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.2 tt -60.11 -60.44 3.82 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.225 1.01 . . . . 74.51 110.613 178.489 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.522 ' HG2' ' O ' ' A' ' 29' ' ' ASP . 3.3 pt20 -68.07 -36.6 80.09 Favored 'General case' 0 CA--C 1.552 1.037 0 CA-C-N 115.282 -0.872 . . . . 65.15 110.611 -179.364 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 37.7 tp . . . . . 0 N--CA 1.479 1.0 0 C-N-CA 123.899 0.88 . . . . 72.1 110.449 179.528 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 102' ' ' PHE . . . . . 0.445 ' HD2' HD23 ' B' ' 105' ' ' LEU . 96.5 m-85 . . . . . 0 N--CA 1.473 0.714 0 N-CA-C 111.794 0.294 . . . . 73.01 111.794 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.0 -34.46 71.88 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 108.924 -0.769 . . . . 53.23 108.924 174.633 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 104' ' ' LYS . . . . . 0.485 ' O ' ' HG2' ' B' ' 108' ' ' GLN . 0.0 OUTLIER -62.58 -41.65 99.07 Favored 'General case' 0 C--N 1.362 1.122 0 CA-C-N 115.024 -0.989 . . . . 75.41 110.816 176.253 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 105' ' ' LEU . . . . . 0.445 HD23 ' HD2' ' B' ' 102' ' ' PHE . 0.5 OUTLIER -60.77 -41.85 96.31 Favored 'General case' 0 C--N 1.377 1.782 0 N-CA-C 109.109 -0.701 . . . . 73.11 109.109 -178.095 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 106' ' ' TYR . . . . . 0.546 ' CD2' HD11 ' A' ' 9' ' ' ILE . 39.5 t80 -57.39 -46.62 83.25 Favored 'General case' 0 C--N 1.36 1.053 0 O-C-N 124.366 1.041 . . . . 74.53 109.277 178.203 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -66.88 -39.7 87.57 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.063 0.945 . . . . 73.31 112.376 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 108' ' ' GLN . . . . . 0.485 ' HG2' ' O ' ' B' ' 104' ' ' LYS . 11.9 mm-40 -67.83 -58.49 4.51 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 122.992 0.517 . . . . 75.45 111.169 -175.166 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 18.6 mt -69.14 -37.3 76.35 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.617 0 CA-C-N 115.617 -0.719 . . . . 64.34 110.654 -174.754 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 110' ' ' LEU . . . . . 0.526 ' HB2' HD13 ' A' ' 9' ' ' ILE . 19.6 tp -74.14 -27.78 61.02 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 122.593 0.357 . . . . 71.51 111.518 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -62.89 -45.64 91.58 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 109.592 -0.521 . . . . 73.44 109.592 171.389 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 112' ' ' GLU . . . . . 0.449 ' O ' ' HG ' ' B' ' 116' ' ' LEU . 5.8 tp10 -64.68 -45.24 87.51 Favored 'General case' 0 C--O 1.216 -0.702 0 CA-C-N 115.152 -0.931 . . . . 72.32 110.017 176.683 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -59.84 -40.71 89.43 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 125.11 1.364 . . . . 52.22 110.694 -177.537 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -59.32 -54.17 49.87 Favored 'General case' 0 C--O 1.243 0.758 0 C-N-CA 124.319 1.048 . . . . 74.15 110.008 175.312 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 26.2 ttpt -56.17 -41.57 75.69 Favored 'General case' 0 C--O 1.218 -0.582 0 O-C-N 124.253 0.971 . . . . 63.3 110.298 178.387 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 116' ' ' LEU . . . . . 0.474 ' HB3' ' HB3' ' A' ' 16' ' ' LEU . 90.9 mt -64.78 -30.86 71.88 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 123.994 0.809 . . . . 71.44 111.463 -176.291 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 117' ' ' LYS . . . . . 0.479 ' HA ' HD23 ' B' ' 120' ' ' LEU . 54.3 mtmt -75.08 -35.69 61.8 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-O 120.787 0.327 . . . . 72.14 111.002 175.032 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -71.5 -42.23 68.29 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.492 0.717 . . . . 72.12 111.223 -179.286 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 119' ' ' GLN . . . . . 0.403 HE22 ' HB3' ' A' ' 20' ' ' LEU . 5.0 pp0? -76.43 -36.01 58.23 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.511 0.724 . . . . 74.44 110.765 -174.871 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 120' ' ' LEU . . . . . 0.479 HD23 ' HA ' ' B' ' 117' ' ' LYS . 1.2 pp -64.22 -43.99 93.29 Favored 'General case' 0 C--N 1.363 1.183 0 N-CA-C 108.627 -0.879 . . . . 75.12 108.627 176.328 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 -56.63 -46.57 80.9 Favored 'General case' 0 C--N 1.363 1.153 0 O-C-N 124.08 0.862 . . . . 73.12 110.686 179.059 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -63.48 -45.32 91.28 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 124.038 0.836 . . . . 72.43 111.292 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 123' ' ' THR . . . . . 0.559 HG23 HD22 ' A' ' 27' ' ' LEU . 37.5 m -69.97 -25.51 63.65 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 123.25 0.62 . . . . 61.22 111.399 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 124' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -71.26 -36.21 71.66 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 109.403 -0.591 . . . . 53.31 109.403 172.807 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 125' ' ' MET . . . . . . . . . . . . . 2.5 mmt -68.65 -38.8 80.73 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.262 0.625 . . . . 63.03 110.948 177.285 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -61.45 -44.75 96.55 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.356 0.662 . . . . 65.03 109.589 174.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 46.0 tp -62.89 -39.86 95.77 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 124.408 1.083 . . . . 73.34 110.864 178.082 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 128' ' ' THR . . . . . . . . . . . . . 86.2 m -64.31 -35.96 82.55 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.056 0.942 . . . . 53.42 110.434 177.27 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -65.34 -46.53 79.87 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 115.255 -0.884 . . . . 74.41 110.274 178.3 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 130' ' ' LEU . . . . . 0.46 HD12 HD12 ' A' ' 27' ' ' LEU . 68.0 mt -69.75 -34.12 73.37 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.276 0.63 . . . . 72.11 111.624 -178.533 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.27 -33.15 67.25 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 109.023 -0.732 . . . . 75.13 109.023 -179.063 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 56.0 tp -64.96 -47.75 76.52 Favored 'General case' 0 C--N 1.356 0.877 0 C-N-CA 123.611 0.764 . . . . 73.45 109.312 173.07 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 133' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -63.63 -28.8 70.16 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 115.644 -0.707 . . . . 72.13 111.331 178.171 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 22.4 tp . . . . . 0 C--O 1.25 1.122 0 CA-C-O 121.829 0.823 . . . . 75.1 110.104 -178.279 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.544 0.731 0 N-CA-C 109.307 -0.627 . . . . 64.11 109.307 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.476 ' HE3' ' HG2' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -75.78 -28.86 58.56 Favored 'General case' 0 C--N 1.361 1.097 0 CA-C-O 119.022 -0.513 . . . . 65.03 110.092 179.239 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 24.5 tp -56.77 -48.55 77.61 Favored 'General case' 0 N--CA 1.483 1.208 0 O-C-N 123.419 0.449 . . . . 65.43 109.952 175.63 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 20.1 t80 -54.57 -52.93 60.57 Favored 'General case' 0 C--N 1.358 0.95 0 O-C-N 124.544 1.153 . . . . 71.43 109.763 175.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -65.28 -34.34 78.11 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 115.022 -0.99 . . . . 74.13 113.436 -173.029 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.476 ' HG2' ' HE3' ' A' ' 4' ' ' LYS . 5.8 mm-40 -69.55 -55.01 11.34 Favored 'General case' 0 N--CA 1.488 1.425 0 CA-C-N 118.068 0.394 . . . . 74.24 111.01 -177.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.51 HD11 ' CD2' ' B' ' 106' ' ' TYR . 3.5 mt -58.93 -47.14 90.61 Favored 'Isoleucine or valine' 0 C--N 1.366 1.307 0 O-C-N 123.452 0.47 . . . . 71.3 110.042 176.762 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -65.27 -30.71 71.6 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 124.584 1.153 . . . . 71.1 111.095 -174.703 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.84 -39.82 76.19 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 122.513 0.325 . . . . 42.21 110.338 175.534 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 20.9 tp10 -73.12 -31.8 64.53 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 123.581 0.752 . . . . 45.02 110.497 176.203 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -74.07 -44.43 54.18 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 124.923 1.289 . . . . 74.44 109.104 -175.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -65.99 -42.9 89.2 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 114.696 -1.138 . . . . 74.35 109.947 174.744 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.2 ttpt -52.67 -49.42 65.29 Favored 'General case' 0 CA--C 1.544 0.719 0 O-C-N 123.85 0.719 . . . . 74.14 110.555 174.34 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 92.3 mt -66.03 -29.44 69.8 Favored 'General case' 0 N--CA 1.477 0.881 0 O-C-N 124.154 0.909 . . . . 72.25 111.424 179.322 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.685 ' HA ' HD23 ' A' ' 20' ' ' LEU . 0.3 OUTLIER -72.79 -32.86 65.89 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 123.236 0.614 . . . . 73.31 110.776 174.605 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.88 -50.8 18.54 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.352 0.661 . . . . 74.14 110.247 -177.201 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -66.86 -34.97 78.96 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.155 0.582 . . . . 73.21 111.478 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.685 HD23 ' HA ' ' A' ' 17' ' ' LYS . 0.4 OUTLIER -63.65 -41.98 98.17 Favored 'General case' 0 C--N 1.364 1.205 0 N-CA-C 109.036 -0.727 . . . . 75.44 109.036 175.9 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.492 ' O ' ' HG2' ' A' ' 25' ' ' MET . 38.9 t-80 -58.94 -50.23 74.85 Favored 'General case' 0 C--N 1.354 0.779 0 O-C-N 123.96 0.788 . . . . 54.4 110.294 -178.289 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.406 ' O ' ' HG2' ' A' ' 26' ' ' GLU . 3.2 m-20 -58.9 -42.59 89.97 Favored 'General case' 0 N--CA 1.48 1.075 0 O-C-N 123.988 0.805 . . . . 65.24 111.369 176.065 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.6 HG22 HG22 ' B' ' 123' ' ' THR . 81.4 m -65.7 -31.57 72.64 Favored 'General case' 0 CA--C 1.552 1.044 0 O-C-N 123.999 0.812 . . . . 72.23 111.412 -179.518 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.501 ' ND2' HG21 ' B' ' 123' ' ' THR . 5.3 m-80 -74.8 -39.12 61.89 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.554 0.742 . . . . 64.34 110.324 177.669 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.492 ' HG2' ' O ' ' A' ' 21' ' ' HIS . 90.6 mmm -65.25 -45.19 85.56 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.191 0.596 . . . . 65.12 111.024 178.036 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.406 ' HG2' ' O ' ' A' ' 22' ' ' ASP . 14.8 pt-20 -76.29 -23.92 54.39 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 116.394 -0.366 . . . . 73.35 110.941 179.459 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.4 tt -63.89 -43.14 96.9 Favored 'General case' 0 C--N 1.357 0.892 0 N-CA-C 107.877 -1.157 . . . . 74.32 107.877 169.274 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 27.9 m -65.43 -39.4 92.05 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.343 0.657 . . . . 74.21 111.23 179.239 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.43 ' O ' ' HG3' ' A' ' 33' ' ' GLN . 12.6 t70 -62.25 -59.25 5.3 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.241 0.617 . . . . 63.3 109.338 179.775 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.585 HD22 HD22 ' B' ' 127' ' ' LEU . 9.6 mp -53.05 -54.23 38.5 Favored 'General case' 0 C--O 1.207 -1.142 0 O-C-N 124.909 1.381 . . . . 52.43 110.069 -179.479 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 53.5 tptt -46.58 -55.23 7.94 Favored 'General case' 0 C--O 1.248 1.008 0 C-N-CA 125.87 1.668 . . . . 65.21 112.279 177.703 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 60.6 tp -62.45 -66.19 0.58 Allowed 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 114.988 -1.006 . . . . 71.42 111.372 -172.205 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.43 ' HG3' ' O ' ' A' ' 29' ' ' ASP . 2.7 pp0? -71.56 -20.64 61.99 Favored 'General case' 0 CA--C 1.546 0.827 0 N-CA-C 112.297 0.48 . . . . 75.04 112.297 -174.528 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 21.1 tp . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 118.884 -0.579 . . . . 72.32 110.289 171.642 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 102' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 . . . . . 0 C--O 1.248 0.993 0 CA-C-O 121.107 0.48 . . . . 71.14 110.465 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 103' ' ' LYS . . . . . 0.414 ' O ' ' HG2' ' B' ' 107' ' ' GLU . 0.0 OUTLIER -59.38 -31.47 69.26 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 109.215 -0.661 . . . . 74.41 109.215 173.268 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 104' ' ' LYS . . . . . 0.481 ' O ' ' HG2' ' B' ' 108' ' ' GLN . 0.0 OUTLIER -73.57 -31.39 63.59 Favored 'General case' 0 C--O 1.213 -0.835 0 CA-C-N 114.45 -1.25 . . . . 74.13 110.812 -179.233 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.04 -41.87 99.6 Favored 'General case' 0 C--N 1.369 1.435 0 N-CA-C 107.557 -1.275 . . . . 74.23 107.557 175.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 106' ' ' TYR . . . . . 0.51 ' CD2' HD11 ' A' ' 9' ' ' ILE . 21.0 t80 -61.47 -40.98 96.48 Favored 'General case' 0 C--N 1.359 0.979 0 CA-C-N 114.802 -1.09 . . . . 70.05 109.595 176.236 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 107' ' ' GLU . . . . . 0.414 ' HG2' ' O ' ' B' ' 103' ' ' LYS . 28.5 mm-40 -64.69 -46.79 80.9 Favored 'General case' 0 C--N 1.352 0.681 0 C-N-CA 122.945 0.498 . . . . 54.13 112.059 178.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 108' ' ' GLN . . . . . 0.481 ' HG2' ' O ' ' B' ' 104' ' ' LYS . 14.5 mm-40 -62.89 -58.01 8.86 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 123.051 0.54 . . . . 70.52 110.965 -172.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 12.9 mt -70.26 -39.57 76.94 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.844 0 CA-C-N 115.242 -0.89 . . . . 62.31 110.794 -172.601 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -73.18 -32.15 64.66 Favored 'General case' 0 N--CA 1.491 1.581 0 C-N-CA 122.911 0.484 . . . . 74.3 110.699 -178.181 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -68.26 -39.39 82.23 Favored 'General case' 0 N--CA 1.487 1.42 0 CA-C-N 118.0 0.363 . . . . 72.13 110.17 175.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 112' ' ' GLU . . . . . 0.419 ' O ' ' HG ' ' B' ' 116' ' ' LEU . 4.8 tp10 -66.49 -40.75 89.46 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 115.378 -0.828 . . . . 74.34 109.921 173.827 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -64.65 -36.27 83.72 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 124.841 1.256 . . . . 72.41 110.601 -178.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -61.27 -51.92 66.91 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.413 1.085 . . . . 75.43 109.71 172.769 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 16.6 ttpt -59.14 -34.66 72.33 Favored 'General case' 0 C--N 1.349 0.571 0 CA-C-N 115.111 -0.949 . . . . 74.24 110.266 177.353 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 116' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' B' ' 112' ' ' GLU . 74.7 mt -67.24 -33.49 75.44 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.536 0.734 . . . . 65.01 111.491 -178.677 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -70.06 -38.98 75.92 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 110.065 -0.346 . . . . 72.22 110.065 174.142 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -69.78 -43.75 71.5 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 123.734 0.813 . . . . 53.3 111.466 -176.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -74.54 -38.18 62.82 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.505 -0.77 . . . . 71.12 110.28 -176.606 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.88 -36.58 80.5 Favored 'General case' 0 C--N 1.363 1.177 0 N-CA-C 108.927 -0.768 . . . . 73.43 108.927 -178.782 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 121' ' ' HIS . . . . . 0.57 ' O ' ' HG2' ' B' ' 125' ' ' MET . 41.5 t-80 -56.62 -53.75 53.98 Favored 'General case' 0 C--N 1.359 1.007 0 N-CA-C 108.694 -0.854 . . . . 71.54 108.694 175.349 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 122' ' ' ASP . . . . . 0.413 ' O ' ' HG3' ' B' ' 126' ' ' GLU . 32.7 t70 -54.21 -48.41 71.05 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 124.451 1.095 . . . . 70.25 112.04 178.796 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 123' ' ' THR . . . . . 0.6 HG22 HG22 ' A' ' 23' ' ' THR . 7.0 m -68.13 -33.02 73.71 Favored 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 123.551 0.741 . . . . 73.11 110.688 -176.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 124' ' ' ASN . . . . . 0.437 ' OD1' HG21 ' A' ' 23' ' ' THR . 3.8 m-20 -75.51 -30.16 59.73 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.65 0.78 . . . . 64.15 110.707 178.47 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 125' ' ' MET . . . . . 0.57 ' HG2' ' O ' ' B' ' 121' ' ' HIS . 93.7 mmm -68.89 -42.29 77.16 Favored 'General case' 0 C--N 1.353 0.722 0 C-N-CA 122.564 0.346 . . . . 72.02 110.485 175.589 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 126' ' ' GLU . . . . . 0.413 ' HG3' ' O ' ' B' ' 122' ' ' ASP . 14.6 mt-10 -67.45 -37.8 83.51 Favored 'General case' 0 N--CA 1.476 0.864 0 O-C-N 123.42 0.45 . . . . 52.32 109.808 177.316 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 127' ' ' LEU . . . . . 0.585 HD22 HD22 ' A' ' 30' ' ' LEU . 3.0 tm? -60.74 -47.95 84.0 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 123.948 0.899 . . . . 51.03 110.509 177.639 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 128' ' ' THR . . . . . 0.537 ' HA ' ' HG2' ' B' ' 131' ' ' LYS . 87.8 m -68.42 -30.82 69.8 Favored 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 123.666 0.786 . . . . 73.32 110.688 178.769 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -68.89 -49.16 60.57 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.196 0.598 . . . . 73.31 109.558 178.559 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 130' ' ' LEU . . . . . 0.51 ' HB3' ' HB3' ' A' ' 30' ' ' LEU . 97.4 mt -65.54 -35.92 82.28 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.625 0.77 . . . . 65.51 110.976 -178.201 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 131' ' ' LYS . . . . . 0.537 ' HG2' ' HA ' ' B' ' 128' ' ' THR . 10.3 pttp -71.77 -28.34 63.56 Favored 'General case' 0 C--N 1.365 1.248 0 O-C-N 123.374 0.421 . . . . 71.12 110.188 178.097 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 32.1 tp -64.07 -52.27 60.1 Favored 'General case' 0 C--N 1.351 0.671 0 O-C-N 123.767 0.667 . . . . 64.52 109.797 177.002 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 133' ' ' GLN . . . . . . . . . . . . . 23.2 mp0 -70.82 -21.1 62.5 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-N 116.718 -0.219 . . . . 64.03 111.506 176.034 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.482 1.165 0 N-CA-C 107.711 -1.218 . . . . 73.52 107.711 172.659 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.481 ' HD3' ' H ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.474 0.737 0 CA-C-O 121.322 0.582 . . . . 74.13 109.914 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.481 ' H ' ' HD3' ' A' ' 3' ' ' LYS . 0.1 OUTLIER -83.83 -26.23 29.7 Favored 'General case' 0 C--O 1.213 -0.862 0 CA-C-N 114.984 -1.007 . . . . 62.1 109.42 179.012 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 20.6 tp -55.87 -45.43 78.54 Favored 'General case' 0 C--N 1.364 1.209 0 N-CA-C 109.628 -0.508 . . . . 71.13 109.628 173.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -54.61 -53.45 54.52 Favored 'General case' 0 C--N 1.358 0.957 0 O-C-N 124.747 1.279 . . . . 71.43 109.512 173.097 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -58.81 -35.58 73.1 Favored 'General case' 0 N--CA 1.472 0.641 0 O-C-N 124.52 1.138 . . . . 74.44 112.924 -177.557 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.417 ' HG2' ' O ' ' A' ' 4' ' ' LYS . 8.6 mm-40 -64.25 -64.55 0.85 Allowed 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 123.144 0.578 . . . . 72.1 111.057 -176.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.554 HD11 ' CD1' ' B' ' 106' ' ' TYR . 14.1 mt -59.9 -40.64 83.42 Favored 'Isoleucine or valine' 0 C--N 1.358 0.947 0 CA-C-O 119.558 -0.258 . . . . 63.13 111.224 177.869 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.75 -30.68 70.96 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 123.406 0.682 . . . . 74.33 110.959 -176.394 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.4 -44.85 93.49 Favored 'General case' 0 N--CA 1.48 1.073 0 N-CA-C 109.653 -0.499 . . . . 51.02 109.653 175.306 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.465 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 2.9 tp10 -69.66 -36.6 76.19 Favored 'General case' 0 C--O 1.211 -0.97 0 CA-C-N 115.051 -0.977 . . . . 73.13 110.385 176.738 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -66.34 -46.58 76.32 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 125.001 1.32 . . . . 72.23 110.307 -175.109 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -58.9 -47.92 83.27 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.689 1.196 . . . . 61.34 109.966 173.093 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.9 ttpt -58.83 -40.58 84.6 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 123.949 0.781 . . . . 73.42 110.852 178.672 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.497 ' HB3' ' HB3' ' B' ' 116' ' ' LEU . 86.6 mt -68.82 -30.16 68.65 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.606 0.762 . . . . 64.33 110.84 -177.855 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.35 -33.06 67.01 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 123.244 0.617 . . . . 74.54 109.91 174.061 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.82 -58.67 3.85 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 116.059 -0.519 . . . . 75.54 110.343 179.67 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -64.91 -28.21 69.38 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.642 0.777 . . . . 74.22 112.661 -177.124 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.494 ' HB3' HE22 ' B' ' 119' ' ' GLN . 0.9 OUTLIER -67.01 -44.41 80.37 Favored 'General case' 0 C--N 1.359 1.015 0 N-CA-C 109.401 -0.592 . . . . 72.24 109.401 171.89 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -55.6 -36.41 66.89 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 123.829 0.852 . . . . 63.12 110.419 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -64.11 -56.49 14.51 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.823 0.849 . . . . 52.24 111.284 171.203 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.566 HG22 HG22 ' B' ' 123' ' ' THR . 6.8 m -67.66 -24.58 65.45 Favored 'General case' 0 N--CA 1.481 1.099 0 N-CA-C 111.892 0.33 . . . . 70.42 111.892 -173.73 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.451 ' OD1' HG21 ' B' ' 123' ' ' THR . 3.0 m120 -80.17 -41.53 25.14 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.863 0.865 . . . . 73.12 110.292 -178.332 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 23.8 ptp -66.63 -46.05 77.06 Favored 'General case' 0 C--N 1.356 0.856 0 CA-C-O 119.341 -0.361 . . . . 74.5 110.146 178.405 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.433 ' HG3' HD13 ' B' ' 127' ' ' LEU . 12.7 pt-20 -71.74 -25.61 62.13 Favored 'General case' 0 C--O 1.211 -0.942 0 C-N-CA 122.844 0.458 . . . . 72.54 110.544 -177.444 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.5 tt -60.64 -51.27 70.11 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 109.381 -0.6 . . . . 64.42 109.381 171.105 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.0 m -64.26 -43.72 93.96 Favored 'General case' 0 CA--C 1.544 0.713 0 O-C-N 124.011 0.82 . . . . 73.22 111.101 -176.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -59.66 -57.27 13.66 Favored 'General case' 0 C--N 1.355 0.806 0 O-C-N 124.031 0.832 . . . . 70.41 109.974 176.367 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -48.62 -47.45 40.17 Favored 'General case' 0 N--CA 1.484 1.261 0 O-C-N 124.955 1.41 . . . . 64.01 111.784 179.115 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.2 tptt -58.94 -47.01 86.58 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 124.986 1.314 . . . . 72.22 110.584 -179.2 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 56.0 tp -64.35 -62.06 1.84 Allowed 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 115.134 -0.939 . . . . 73.44 110.046 -173.406 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.12 -39.46 78.75 Favored 'General case' 0 C--O 1.247 0.928 0 CA-C-N 115.25 -0.886 . . . . 75.53 111.249 179.102 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 29.0 tp . . . . . 0 C--O 1.247 0.965 0 C-N-CA 123.826 0.85 . . . . 64.34 111.089 -178.621 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 102' ' ' PHE . . . . . 0.528 ' HD1' HD23 ' B' ' 105' ' ' LEU . 96.7 m-85 . . . . . 0 C--O 1.246 0.901 0 N-CA-C 113.691 0.997 . . . . 74.21 113.691 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.53 -36.55 74.03 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 109.578 -0.527 . . . . 75.1 109.578 173.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 104' ' ' LYS . . . . . 0.429 ' O ' ' HG2' ' B' ' 108' ' ' GLN . 0.1 OUTLIER -65.48 -37.62 87.38 Favored 'General case' 0 C--N 1.361 1.085 0 CA-C-O 118.48 -0.771 . . . . 62.32 111.24 178.095 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 105' ' ' LEU . . . . . 0.528 HD23 ' HD1' ' B' ' 102' ' ' PHE . 0.4 OUTLIER -60.65 -44.38 96.47 Favored 'General case' 0 C--N 1.378 1.811 0 N-CA-C 108.616 -0.883 . . . . 73.34 108.616 -177.772 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 106' ' ' TYR . . . . . 0.554 ' CD1' HD11 ' A' ' 9' ' ' ILE . 46.0 t80 -57.66 -47.92 80.94 Favored 'General case' 0 C--N 1.364 1.199 0 O-C-N 124.355 1.034 . . . . 65.42 109.653 179.327 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -66.87 -39.77 87.64 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 124.184 0.927 . . . . 72.33 112.881 -176.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 108' ' ' GLN . . . . . 0.429 ' HG2' ' O ' ' B' ' 104' ' ' LYS . 7.5 mm-40 -67.08 -53.43 31.0 Favored 'General case' 0 N--CA 1.486 1.331 0 O-C-N 123.381 0.426 . . . . 73.5 110.753 -176.252 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 13.8 mt -70.27 -38.72 75.35 Favored 'Isoleucine or valine' 0 C--N 1.352 0.714 0 O-C-N 123.73 0.644 . . . . 72.52 110.495 -175.792 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -70.05 -30.66 67.98 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 123.325 0.65 . . . . 72.03 110.378 179.715 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -65.32 -45.99 82.07 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 122.628 0.371 . . . . 31.43 110.011 173.56 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 112' ' ' GLU . . . . . 0.416 ' O ' ' HG ' ' B' ' 116' ' ' LEU . 38.4 tp10 -68.93 -33.48 73.8 Favored 'General case' 0 C--O 1.215 -0.757 0 CA-C-N 115.775 -0.648 . . . . 73.4 110.425 177.235 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -69.18 -38.24 78.58 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 124.772 1.229 . . . . 55.0 109.775 -179.474 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -61.3 -49.94 74.99 Favored 'General case' 0 C--N 1.352 0.715 0 C-N-CA 124.605 1.162 . . . . 73.3 109.391 172.138 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 14.6 ttpt -56.84 -42.8 80.32 Favored 'General case' 0 C--O 1.216 -0.663 0 O-C-N 124.327 1.017 . . . . 71.0 110.142 178.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 116' ' ' LEU . . . . . 0.497 ' HB3' ' HB3' ' A' ' 16' ' ' LEU . 92.5 mt -68.67 -35.03 76.7 Favored 'General case' 0 C--N 1.349 0.572 0 C-N-CA 124.001 0.92 . . . . 72.44 111.086 -178.505 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 117' ' ' LYS . . . . . 0.461 ' HD3' HD21 ' B' ' 120' ' ' LEU . 0.8 OUTLIER -68.45 -37.27 80.07 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-O 121.492 0.663 . . . . 74.34 110.727 175.942 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -77.73 -40.47 41.05 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 114.904 -1.044 . . . . 71.04 111.182 -175.781 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 119' ' ' GLN . . . . . 0.494 HE22 ' HB3' ' A' ' 20' ' ' LEU . 5.3 pp0? -71.02 -39.27 72.44 Favored 'General case' 0 C--O 1.219 -0.532 0 N-CA-C 109.941 -0.392 . . . . 72.3 109.941 -178.493 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 120' ' ' LEU . . . . . 0.461 HD21 ' HD3' ' B' ' 117' ' ' LYS . 1.2 pp -65.73 -38.35 88.89 Favored 'General case' 0 C--N 1.361 1.088 0 N-CA-C 109.487 -0.56 . . . . 74.54 109.487 178.796 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 4.9 t-80 -51.81 -56.46 13.8 Favored 'General case' 0 C--N 1.357 0.899 0 C-N-CA 123.506 0.722 . . . . 73.1 110.853 172.203 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 122' ' ' ASP . . . . . 0.498 ' O ' ' HG2' ' B' ' 126' ' ' GLU . 1.6 m-20 -60.7 -44.12 96.94 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 123.982 0.801 . . . . 74.32 111.22 -179.449 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 123' ' ' THR . . . . . 0.566 HG22 HG22 ' A' ' 23' ' ' THR . 42.1 m -65.29 -29.56 70.34 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 124.005 0.922 . . . . 65.54 111.554 -178.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 124' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -78.51 -34.21 47.5 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.76 0.824 . . . . 64.21 110.85 176.15 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 125' ' ' MET . . . . . . . . . . . . . 88.4 mmm -65.65 -33.82 76.77 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 122.833 0.453 . . . . 62.42 110.383 172.768 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 126' ' ' GLU . . . . . 0.513 ' O ' HD22 ' B' ' 130' ' ' LEU . 14.2 mm-40 -70.98 -47.76 57.07 Favored 'General case' 0 C--O 1.215 -0.731 0 C-N-CA 123.046 0.538 . . . . 75.3 109.931 174.572 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 127' ' ' LEU . . . . . 0.433 HD13 ' HG3' ' A' ' 26' ' ' GLU . 65.1 tp -53.65 -43.95 69.21 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 122.647 0.379 . . . . 70.25 110.757 175.681 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 128' ' ' THR . . . . . . . . . . . . . 33.0 m -62.71 -37.27 85.86 Favored 'General case' 0 C--N 1.355 0.844 0 C-N-CA 123.714 0.806 . . . . 75.41 110.358 175.594 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -66.44 -47.53 72.87 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 123.908 0.883 . . . . 55.32 111.436 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 130' ' ' LEU . . . . . 0.513 HD22 ' O ' ' B' ' 126' ' ' GLU . 1.2 mm? -64.22 -47.38 79.9 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 122.929 0.492 . . . . 75.11 111.203 -179.148 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.16 -30.47 69.59 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 116.187 -0.46 . . . . 71.15 110.242 -177.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 55.2 tp -65.76 -40.54 92.17 Favored 'General case' 0 C--N 1.359 0.999 0 C-N-CA 123.316 0.646 . . . . 71.52 110.181 177.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 133' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -74.88 -21.27 59.33 Favored 'General case' 0 C--O 1.218 -0.589 0 CA-C-N 116.024 -0.535 . . . . 72.12 110.42 177.591 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 14.9 tp . . . . . 0 N--CA 1.488 1.467 0 C-N-CA 123.536 0.735 . . . . 74.53 110.597 178.883 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.556 1.211 0 N-CA-C 109.561 -0.533 . . . . 73.51 109.561 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.21 -27.87 60.99 Favored 'General case' 0 C--N 1.36 1.03 0 CA-C-N 115.342 -0.844 . . . . 74.22 110.599 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 25.4 tp -58.36 -42.39 86.81 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-O 121.353 0.597 . . . . 71.43 109.947 178.447 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -55.31 -54.3 45.25 Favored 'General case' 0 C--N 1.349 0.58 0 CA-C-N 113.568 -1.651 . . . . 75.32 109.9 172.113 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -58.53 -35.95 73.1 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.253 1.021 . . . . 53.43 112.823 -176.223 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -64.09 -62.68 1.47 Allowed 'General case' 0 N--CA 1.481 1.111 0 O-C-N 123.521 0.513 . . . . 74.24 111.326 -176.288 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.562 HD11 ' CD1' ' B' ' 106' ' ' TYR . 7.9 mt -62.12 -47.2 94.27 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.84 0 O-C-N 123.532 0.52 . . . . 71.21 111.104 178.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.569 ' HA ' ' HB3' ' A' ' 13' ' ' ASN . 0.7 OUTLIER -64.35 -26.2 68.37 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 124.192 0.997 . . . . 71.32 110.964 -175.901 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.11 -49.0 76.15 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 110.172 -0.307 . . . . 54.14 110.172 173.144 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.507 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 38.1 tt0 -71.35 -33.39 69.55 Favored 'General case' 0 C--O 1.205 -1.253 0 CA-C-N 115.954 -0.567 . . . . 71.4 110.231 177.572 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.569 ' HB3' ' HA ' ' A' ' 10' ' ' LEU . 24.6 t-20 -70.83 -44.29 66.81 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 124.366 1.066 . . . . 72.04 110.724 -173.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -64.37 -43.06 95.68 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.595 0.758 . . . . 63.55 109.384 173.311 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.0 ttpt -56.65 -43.44 80.32 Favored 'General case' 0 C--O 1.214 -0.799 0 O-C-N 124.019 0.824 . . . . 62.45 110.241 175.318 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' ' 12' ' ' GLU . 84.4 mt -66.76 -34.06 76.99 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.963 0.905 . . . . 74.35 110.901 -178.09 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.56 -37.22 84.5 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 123.561 0.744 . . . . 72.24 109.426 174.04 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.62 -55.97 6.04 Favored 'General case' 0 C--N 1.346 0.42 0 CA-C-N 115.943 -0.571 . . . . 64.43 110.34 -175.53 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -67.46 -30.28 69.95 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 124.342 1.057 . . . . 73.23 112.184 -175.811 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.13 -42.29 80.42 Favored 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 108.368 -0.975 . . . . 65.31 108.368 174.516 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.479 ' O ' ' HG2' ' A' ' 25' ' ' MET . 54.6 t-80 -59.1 -44.26 91.94 Favored 'General case' 0 C--N 1.36 1.035 0 O-C-N 124.225 0.953 . . . . 73.55 109.405 179.626 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -59.8 -51.04 71.43 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 123.941 0.776 . . . . 73.21 110.25 175.131 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.579 HG22 HG22 ' B' ' 123' ' ' THR . 39.5 m -61.6 -30.45 70.69 Favored 'General case' 0 C--N 1.355 0.847 0 O-C-N 124.098 0.874 . . . . 64.21 111.672 -176.338 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.512 ' ND2' HG21 ' B' ' 123' ' ' THR . 5.9 m-80 -77.45 -42.87 34.37 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.133 0.973 . . . . 74.11 110.675 177.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.479 ' HG2' ' O ' ' A' ' 21' ' ' HIS . 86.2 mmm -63.73 -38.83 92.57 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.116 0.567 . . . . 65.11 111.337 177.614 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.428 ' HA ' ' HB3' ' A' ' 29' ' ' ASP . 10.5 pt-20 -85.88 -20.09 29.59 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 123.853 0.721 . . . . 73.54 110.671 -178.062 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.461 ' HB2' ' O ' ' A' ' 23' ' ' THR . 7.3 tt -66.44 -47.95 71.53 Favored 'General case' 0 C--N 1.354 0.764 0 N-CA-C 108.816 -0.809 . . . . 64.35 108.816 168.472 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 24.6 m -73.97 -29.91 62.23 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 123.56 0.744 . . . . 73.42 110.804 -176.74 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.428 ' HB3' ' HA ' ' A' ' 26' ' ' GLU . 24.5 t70 -61.8 -59.81 4.59 Favored 'General case' 0 C--O 1.242 0.668 0 C-N-CA 124.06 0.944 . . . . 74.2 109.439 172.312 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.518 ' HB3' ' HB3' ' B' ' 130' ' ' LEU . 8.5 mp -56.84 -41.27 77.58 Favored 'General case' 0 C--O 1.205 -1.287 0 O-C-N 124.45 1.094 . . . . 74.12 111.292 178.456 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 38.8 tptt -53.05 -53.43 50.3 Favored 'General case' 0 C--O 1.26 1.644 0 C-N-CA 125.143 1.377 . . . . 72.33 111.437 177.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 36.2 tp -60.25 -57.99 10.44 Favored 'General case' 0 C--O 1.244 0.796 0 CA-C-N 114.291 -1.322 . . . . 74.03 110.386 -173.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -66.14 -32.8 74.47 Favored 'General case' 0 CA--C 1.55 0.945 0 CA-C-N 115.193 -0.912 . . . . 55.42 111.923 -179.003 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.464 ' HB2' ' O ' ' A' ' 30' ' ' LEU . 1.5 tm? . . . . . 0 N--CA 1.483 1.214 0 N-CA-C 109.081 -0.711 . . . . 70.13 109.081 -175.15 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 102' ' ' PHE . . . . . 0.403 ' HD2' HD23 ' B' ' 105' ' ' LEU . 89.7 m-85 . . . . . 0 N--CA 1.474 0.747 0 N-CA-C 113.312 0.856 . . . . 60.34 113.312 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.41 -34.69 74.31 Favored 'General case' 0 C--N 1.354 0.78 0 N-CA-C 110.131 -0.322 . . . . 74.01 110.131 177.206 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 104' ' ' LYS . . . . . 0.443 ' O ' ' HG2' ' B' ' 108' ' ' GLN . 0.0 OUTLIER -64.19 -39.37 93.86 Favored 'General case' 0 C--N 1.362 1.126 0 CA-C-O 118.261 -0.876 . . . . 74.34 110.922 176.277 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 105' ' ' LEU . . . . . 0.403 HD23 ' HD2' ' B' ' 102' ' ' PHE . 0.3 OUTLIER -59.28 -43.31 92.56 Favored 'General case' 0 C--N 1.374 1.633 0 N-CA-C 108.167 -1.049 . . . . 75.42 108.167 -177.861 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 106' ' ' TYR . . . . . 0.562 ' CD1' HD11 ' A' ' 9' ' ' ILE . 41.7 t80 -56.5 -56.05 26.11 Favored 'General case' 0 C--N 1.363 1.176 0 O-C-N 124.744 1.277 . . . . 74.11 109.428 177.542 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -63.49 -37.65 88.11 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.106 0.962 . . . . 63.01 113.147 -172.676 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 108' ' ' GLN . . . . . 0.443 ' HG2' ' O ' ' B' ' 104' ' ' LYS . 9.6 mm-40 -70.31 -55.76 8.39 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 122.355 0.262 . . . . 53.25 111.272 -176.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 28.4 mt -61.19 -38.65 80.2 Favored 'Isoleucine or valine' 0 C--N 1.363 1.172 0 O-C-N 123.613 0.571 . . . . 75.31 110.125 178.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 110' ' ' LEU . . . . . 0.471 ' HA ' ' HB3' ' B' ' 113' ' ' ASN . 2.1 tm? -71.82 -31.18 66.28 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 123.985 0.914 . . . . 74.52 110.612 -178.394 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -62.33 -46.37 89.03 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 110.079 -0.341 . . . . 73.21 110.079 174.114 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 112' ' ' GLU . . . . . 0.434 ' O ' ' HG ' ' B' ' 116' ' ' LEU . 3.1 tp10 -66.99 -42.37 85.18 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-N 115.63 -0.714 . . . . 75.45 110.513 176.554 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 113' ' ' ASN . . . . . 0.471 ' HB3' ' HA ' ' B' ' 110' ' ' LEU . 26.0 t-20 -63.09 -45.77 90.52 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 125.328 1.451 . . . . 65.45 111.302 -176.014 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -55.19 -49.39 72.05 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.934 1.293 . . . . 73.11 110.304 171.339 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 17.4 ttpt -62.17 -36.87 83.2 Favored 'General case' 0 C--N 1.349 0.558 0 CA-C-N 115.16 -0.927 . . . . 72.44 110.454 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 116' ' ' LEU . . . . . 0.504 ' HB3' ' HB3' ' A' ' 16' ' ' LEU . 81.4 mt -71.85 -24.11 61.64 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 123.678 0.611 . . . . 72.34 111.241 -176.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 117' ' ' LYS . . . . . 0.708 ' HA ' HD23 ' B' ' 120' ' ' LEU . 45.6 mtmt -82.06 -29.44 31.87 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 122.612 0.365 . . . . 73.21 111.276 173.23 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -72.53 -45.27 60.1 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.178 0.591 . . . . 61.44 110.504 177.642 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 119' ' ' GLN . . . . . 0.421 ' HG3' ' HA ' ' B' ' 116' ' ' LEU . 0.0 OUTLIER -73.56 -37.55 65.49 Favored 'General case' 0 C--N 1.345 0.406 0 CA-C-N 115.471 -0.786 . . . . 72.51 110.915 -177.668 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 120' ' ' LEU . . . . . 0.708 HD23 ' HA ' ' B' ' 117' ' ' LYS . 0.4 OUTLIER -63.1 -40.45 97.68 Favored 'General case' 0 C--N 1.369 1.451 0 N-CA-C 108.883 -0.784 . . . . 74.33 108.883 177.624 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 121' ' ' HIS . . . . . 0.503 ' O ' ' HG2' ' B' ' 125' ' ' MET . 33.4 t-80 -58.09 -45.48 87.12 Favored 'General case' 0 C--N 1.358 0.963 0 O-C-N 124.207 0.942 . . . . 71.02 110.034 178.305 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -60.18 -48.67 80.76 Favored 'General case' 0 CA--C 1.548 0.873 0 O-C-N 124.352 1.033 . . . . 73.44 110.884 177.761 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 123' ' ' THR . . . . . 0.579 HG22 HG22 ' A' ' 23' ' ' THR . 8.0 m -66.45 -29.56 69.72 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 124.385 1.074 . . . . 53.52 111.089 -178.625 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 124' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -74.33 -35.4 63.62 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.303 0.641 . . . . 72.32 110.545 177.42 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 125' ' ' MET . . . . . 0.503 ' HG2' ' O ' ' B' ' 121' ' ' HIS . 93.3 mmm -64.36 -37.74 88.58 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 122.789 0.435 . . . . 62.44 110.704 174.25 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -66.37 -44.5 82.97 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 116.003 -0.544 . . . . 70.32 110.322 175.549 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 46.3 tp -60.23 -38.99 85.11 Favored 'General case' 0 CA--C 1.555 1.167 0 C-N-CA 123.614 0.765 . . . . 71.12 110.703 177.601 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 128' ' ' THR . . . . . . . . . . . . . 91.2 m -63.41 -37.81 88.71 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 124.253 1.021 . . . . 74.12 110.519 175.277 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 129' ' ' ASP . . . . . 0.422 ' O ' ' HG3' ' B' ' 133' ' ' GLN . 9.1 t70 -63.71 -45.06 91.69 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.649 0.78 . . . . 74.31 110.89 177.397 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 130' ' ' LEU . . . . . 0.518 ' HB3' ' HB3' ' A' ' 30' ' ' LEU . 1.5 mm? -63.69 -45.89 87.98 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 111.807 0.299 . . . . 62.14 111.807 -177.882 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.8 -30.79 70.3 Favored 'General case' 0 N--CA 1.483 1.177 0 O-C-N 123.351 0.407 . . . . 72.34 110.264 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 51.5 tp -72.09 -38.28 69.41 Favored 'General case' 0 C--N 1.357 0.911 0 C-N-CA 123.082 0.553 . . . . 75.45 110.187 178.837 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 133' ' ' GLN . . . . . 0.422 ' HG3' ' O ' ' B' ' 129' ' ' ASP . 40.0 mt-30 -74.71 -21.55 59.32 Favored 'General case' 0 C--O 1.215 -0.756 0 N-CA-C 110.223 -0.288 . . . . 74.41 110.223 175.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 12.2 tp . . . . . 0 N--CA 1.488 1.451 0 C-N-CA 124.475 1.11 . . . . 62.24 109.056 -178.959 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.549 ' HD3' ' H ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.072 0 N-CA-C 110.309 -0.256 . . . . 64.35 110.309 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.549 ' H ' ' HD3' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -78.97 -24.94 43.5 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-O 118.966 -0.54 . . . . 71.41 110.363 177.155 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 17.7 tp -58.31 -46.89 85.3 Favored 'General case' 0 N--CA 1.485 1.286 0 CA-C-O 121.472 0.653 . . . . 64.2 109.518 174.793 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -55.79 -53.57 55.01 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-N 113.657 -1.61 . . . . 74.33 109.922 172.72 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -58.8 -36.34 74.32 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 113.231 0.826 . . . . 61.22 113.231 -176.457 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.441 ' HG2' ' O ' ' A' ' 4' ' ' LYS . 8.4 mm-40 -63.65 -66.35 0.55 Allowed 'General case' 0 N--CA 1.482 1.137 0 O-C-N 123.333 0.395 . . . . 71.45 111.412 -177.801 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.565 HD13 ' HB2' ' B' ' 110' ' ' LEU . 16.2 mt -59.37 -42.1 86.43 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.061 0 O-C-N 123.246 0.341 . . . . 73.24 111.109 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.544 ' HA ' ' HB3' ' A' ' 13' ' ' ASN . 0.9 OUTLIER -67.51 -26.91 66.57 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 124.039 0.936 . . . . 73.42 111.191 -176.044 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.29 -47.43 70.63 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-O 120.61 0.243 . . . . 64.35 110.849 175.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.463 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 34.7 tt0 -69.91 -36.16 75.15 Favored 'General case' 0 C--O 1.21 -0.977 0 CA-C-N 115.748 -0.66 . . . . 64.14 109.972 176.687 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.544 ' HB3' ' HA ' ' A' ' 10' ' ' LEU . 4.0 t30 -63.33 -41.1 98.86 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 124.979 1.312 . . . . 71.14 110.321 -179.284 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -61.07 -48.78 80.12 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 115.042 -0.981 . . . . 72.55 109.617 173.467 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.4 ttpt -60.33 -41.66 94.03 Favored 'General case' 0 C--O 1.215 -0.761 0 CA-C-N 114.9 -1.046 . . . . 75.22 110.578 -179.508 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 12' ' ' GLU . 98.3 mt -67.34 -32.92 74.19 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.067 0.947 . . . . 70.2 110.396 -177.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.417 ' HA ' HD23 ' A' ' 20' ' ' LEU . 0.3 OUTLIER -68.9 -33.97 74.64 Favored 'General case' 0 CA--C 1.552 1.052 0 C-N-CA 124.301 1.04 . . . . 75.05 109.703 174.562 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.36 -55.91 5.23 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 116.085 -0.507 . . . . 60.01 110.881 -177.559 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -63.33 -31.28 72.39 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.572 0.749 . . . . 74.44 111.955 -179.279 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' A' ' 17' ' ' LYS . 0.6 OUTLIER -65.84 -43.58 88.09 Favored 'General case' 0 N--CA 1.483 1.18 0 N-CA-C 109.562 -0.533 . . . . 54.03 109.562 173.213 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 81.3 t60 -55.94 -46.64 78.45 Favored 'General case' 0 C--N 1.363 1.194 0 O-C-N 123.671 0.607 . . . . 51.24 109.476 178.782 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -59.69 -47.02 87.28 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.448 -0.797 . . . . 74.32 110.992 177.029 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.569 HG22 HG22 ' B' ' 123' ' ' THR . 17.2 m -70.64 -25.75 63.15 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 122.921 0.488 . . . . 62.52 111.619 -176.078 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -78.7 -39.24 37.12 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 122.911 0.484 . . . . 72.34 109.944 176.655 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 79.3 mmm -66.48 -44.24 83.23 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.372 0.669 . . . . 63.31 111.4 177.447 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.5 ' HG2' ' HA ' ' A' ' 23' ' ' THR . 13.2 pt-20 -76.15 -21.61 56.37 Favored 'General case' 0 C--O 1.204 -1.32 0 CA-C-O 118.941 -0.552 . . . . 74.24 110.381 178.69 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.8 tt -68.13 -47.98 66.65 Favored 'General case' 0 N--CA 1.485 1.293 0 N-CA-C 109.075 -0.713 . . . . 74.23 109.075 169.599 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 86.5 m -59.11 -42.0 89.52 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.125 0.97 . . . . 61.41 109.94 179.016 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -71.11 -42.04 69.78 Favored 'General case' 0 C--O 1.221 -0.439 0 CA-C-N 115.139 -0.937 . . . . 53.43 110.253 178.204 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.446 ' HB2' ' O ' ' A' ' 26' ' ' GLU . 0.6 OUTLIER -62.92 -43.08 99.78 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.109 0.564 . . . . 74.44 110.891 -175.361 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.419 ' HD3' ' N ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -73.36 -39.75 64.92 Favored 'General case' 0 C--O 1.244 0.771 0 O-C-N 123.581 0.551 . . . . 72.51 110.896 -179.104 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.419 ' N ' ' HD3' ' A' ' 31' ' ' LYS . 52.1 tp -63.48 -54.11 41.59 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.316 0.646 . . . . 72.4 110.101 -178.539 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -61.8 -44.64 96.47 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 115.796 -0.638 . . . . 75.44 110.244 -179.138 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 13.8 tp . . . . . 0 C--O 1.248 1.006 0 C-N-CA 125.288 1.435 . . . . 73.12 110.841 179.794 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 102' ' ' PHE . . . . . 0.438 ' O ' ' HG ' ' B' ' 105' ' ' LEU . 85.8 m-85 . . . . . 0 CA--C 1.541 0.618 0 CA-C-O 120.849 0.356 . . . . 73.51 110.3 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 103' ' ' LYS . . . . . 0.462 ' O ' ' HG2' ' B' ' 107' ' ' GLU . 0.0 OUTLIER -59.78 -33.44 71.71 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 109.331 -0.618 . . . . 65.14 109.331 176.15 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 104' ' ' LYS . . . . . 0.442 ' O ' ' HG2' ' B' ' 108' ' ' GLN . 0.0 OUTLIER -70.02 -35.73 74.56 Favored 'General case' 0 C--O 1.217 -0.637 0 CA-C-N 114.796 -1.093 . . . . 43.01 110.755 179.231 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 105' ' ' LEU . . . . . 0.438 ' HG ' ' O ' ' B' ' 102' ' ' PHE . 0.5 OUTLIER -61.07 -41.73 97.19 Favored 'General case' 0 C--N 1.371 1.525 0 N-CA-C 108.403 -0.962 . . . . 74.42 108.403 178.252 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 106' ' ' TYR . . . . . 0.518 ' CD1' HD11 ' A' ' 9' ' ' ILE . 36.0 t80 -57.56 -46.54 83.81 Favored 'General case' 0 C--N 1.355 0.819 0 O-C-N 124.447 1.092 . . . . 75.12 110.37 177.05 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 107' ' ' GLU . . . . . 0.462 ' HG2' ' O ' ' B' ' 103' ' ' LYS . 17.4 mm-40 -65.91 -42.98 89.47 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 115.581 -0.736 . . . . 74.24 112.14 -178.571 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 108' ' ' GLN . . . . . 0.442 ' HG2' ' O ' ' B' ' 104' ' ' LYS . 6.8 mm-40 -65.99 -52.81 46.08 Favored 'General case' 0 N--CA 1.48 1.026 0 O-C-N 123.294 0.371 . . . . 64.41 111.275 -174.768 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 11.5 mt -71.08 -38.18 70.39 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 CA-C-N 116.391 -0.368 . . . . 70.42 111.04 -175.281 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 110' ' ' LEU . . . . . 0.565 ' HB2' HD13 ' A' ' 9' ' ' ILE . 17.5 tp -76.48 -25.23 54.08 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 122.459 0.304 . . . . 75.34 111.424 -178.703 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -63.91 -44.0 94.27 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 109.373 -0.602 . . . . 55.21 109.373 167.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 112' ' ' GLU . . . . . 0.406 ' O ' ' HG ' ' B' ' 116' ' ' LEU . 5.0 tp10 -67.37 -38.95 85.58 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 115.179 -0.919 . . . . 51.11 110.364 177.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -66.86 -37.07 83.75 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 124.824 1.25 . . . . 70.11 110.284 -177.101 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -59.77 -53.81 53.64 Favored 'General case' 0 C--N 1.353 0.743 0 CA-C-N 114.907 -1.042 . . . . 72.45 110.03 171.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 20.8 ttpt -56.31 -42.84 78.25 Favored 'General case' 0 C--N 1.35 0.606 0 CA-C-N 115.605 -0.725 . . . . 62.35 110.13 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 116' ' ' LEU . . . . . 0.42 ' HB3' ' HB3' ' A' ' 16' ' ' LEU . 84.4 mt -65.02 -30.09 71.05 Favored 'General case' 0 C--N 1.349 0.57 0 CA-C-N 115.103 -0.953 . . . . 73.32 111.377 -178.827 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.4 -40.99 73.59 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 123.387 0.675 . . . . 74.4 110.344 178.637 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -76.47 -46.08 28.38 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 115.591 -0.731 . . . . 73.44 111.637 -177.483 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -65.38 -35.7 81.76 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.116 0.566 . . . . 72.23 110.846 -178.739 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.75 -46.42 75.45 Favored 'General case' 0 C--N 1.36 1.045 0 N-CA-C 109.255 -0.646 . . . . 73.43 109.255 177.25 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 57.9 t-80 -62.98 -34.47 77.6 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-O 121.21 0.529 . . . . 55.31 110.844 -179.163 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 122' ' ' ASP . . . . . 0.488 ' O ' ' HG2' ' B' ' 126' ' ' GLU . 23.3 t70 -65.85 -50.16 65.58 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 114.565 -1.198 . . . . 73.0 109.907 176.314 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 123' ' ' THR . . . . . 0.569 HG22 HG22 ' A' ' 23' ' ' THR . 24.3 m -69.58 -26.42 64.46 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 123.375 0.67 . . . . 63.03 110.995 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 124' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -74.14 -36.17 64.14 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.569 0.748 . . . . 64.34 110.059 178.509 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 125' ' ' MET . . . . . . . . . . . . . 24.7 ptt? -81.06 -24.7 37.64 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 122.079 0.151 . . . . 72.32 110.658 179.424 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 126' ' ' GLU . . . . . 0.488 ' HG2' ' O ' ' B' ' 122' ' ' ASP . 19.5 mm-40 -69.02 -41.8 77.23 Favored 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 109.22 -0.659 . . . . 52.25 109.22 170.323 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 127' ' ' LEU . . . . . 0.439 HD13 ' HG3' ' A' ' 26' ' ' GLU . 57.9 tp -59.17 -43.45 92.15 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 114.92 -1.036 . . . . 55.32 110.577 173.065 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 128' ' ' THR . . . . . . . . . . . . . 91.4 m -63.9 -37.79 88.7 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.899 0.879 . . . . 75.33 110.694 177.086 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -63.26 -42.87 99.22 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.644 1.178 . . . . 61.24 110.459 177.233 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 130' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' B' ' 126' ' ' GLU . 96.8 mt -75.06 -36.39 61.81 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 115.517 -0.765 . . . . 54.04 111.837 -175.412 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.55 -27.32 55.87 Favored 'General case' 0 N--CA 1.487 1.412 0 CA-C-N 117.857 0.299 . . . . 70.42 111.175 179.538 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 58.1 tp -63.98 -49.26 73.19 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 108.962 -0.755 . . . . 65.11 108.962 170.615 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 133' ' ' GLN . . . . . . . . . . . . . 61.6 mt-30 -65.12 -30.6 71.55 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-N 115.314 -0.857 . . . . 73.5 111.003 175.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 19.5 tp . . . . . 0 N--CA 1.485 1.305 0 C-N-CA 124.124 0.969 . . . . 64.43 110.153 -176.452 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.472 ' HD3' ' H ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.884 0 CA-C-O 121.275 0.56 . . . . 74.2 109.719 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.472 ' H ' ' HD3' ' A' ' 3' ' ' LYS . 0.1 OUTLIER -83.95 -27.59 28.4 Favored 'General case' 0 C--O 1.211 -0.95 0 CA-C-N 115.126 -0.943 . . . . 61.31 109.082 -178.121 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 19.4 tp -56.03 -46.14 78.95 Favored 'General case' 0 N--CA 1.488 1.446 0 CA-C-O 121.649 0.738 . . . . 70.4 109.794 176.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 22.4 t80 -56.26 -51.34 68.51 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 113.484 -1.689 . . . . 75.52 110.051 172.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -58.71 -36.44 74.27 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.216 1.007 . . . . 75.41 112.858 -178.711 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.424 ' HG2' ' O ' ' A' ' 4' ' ' LYS . 11.8 mm-40 -65.75 -63.91 0.98 Allowed 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 122.803 0.441 . . . . 63.41 111.593 -175.38 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.439 HD11 ' CD2' ' B' ' 106' ' ' TYR . 19.8 mt -63.44 -40.5 89.27 Favored 'Isoleucine or valine' 0 C--N 1.362 1.111 0 O-C-N 123.208 0.318 . . . . 72.51 110.95 179.72 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.16 -29.9 69.73 Favored 'General case' 0 N--CA 1.496 1.838 0 C-N-CA 123.078 0.551 . . . . 72.22 110.623 -177.021 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.78 -48.82 80.09 Favored 'General case' 0 N--CA 1.482 1.139 0 N-CA-C 109.194 -0.669 . . . . 75.33 109.194 174.439 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.535 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 5.0 tp10 -65.52 -39.94 92.39 Favored 'General case' 0 CA--C 1.55 0.972 0 CA-C-N 114.691 -1.14 . . . . 62.34 110.975 175.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -68.9 -41.05 78.76 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 124.487 1.115 . . . . 74.21 110.605 -171.055 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -75.3 -30.34 60.33 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 114.916 -1.038 . . . . 70.42 109.17 178.562 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.9 ttpt -63.54 -41.71 98.45 Favored 'General case' 0 C--N 1.362 1.113 0 N-CA-C 108.485 -0.931 . . . . 73.14 108.485 174.598 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' A' ' 12' ' ' GLU . 95.0 mt -67.16 -30.64 70.66 Favored 'General case' 0 C--N 1.362 1.113 0 C-N-CA 124.213 1.005 . . . . 71.44 111.009 179.71 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.408 ' HA ' HD23 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -67.38 -38.54 84.9 Favored 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 123.45 0.7 . . . . 72.15 110.43 173.558 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.41 -46.46 40.06 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 115.351 -0.841 . . . . 72.02 111.551 -175.041 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.524 HE22 HD22 ' B' ' 120' ' ' LEU . 0.0 OUTLIER -74.28 -28.16 61.07 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.76 0.824 . . . . 74.33 112.1 -179.107 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.444 ' HB3' HE22 ' B' ' 119' ' ' GLN . 1.1 pp -66.22 -44.96 82.31 Favored 'General case' 0 N--CA 1.484 1.263 0 N-CA-C 108.292 -1.003 . . . . 63.12 108.292 173.556 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -60.51 -42.14 95.79 Favored 'General case' 0 C--N 1.352 0.686 0 O-C-N 123.817 0.698 . . . . 70.11 110.45 -179.341 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -59.16 -53.37 59.05 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.886 0.874 . . . . 73.01 110.502 176.476 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.506 HG22 HG22 ' B' ' 123' ' ' THR . 24.8 m -69.59 -30.39 68.15 Favored 'General case' 0 CA--C 1.55 0.947 0 O-C-N 123.969 0.793 . . . . 73.22 111.403 -175.625 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -70.27 -51.51 29.98 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.002 0.521 . . . . 73.42 109.767 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 25.8 mmt -70.11 -40.97 74.59 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 115.817 -0.629 . . . . 71.51 112.144 -175.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.465 ' HG2' ' HA ' ' A' ' 23' ' ' THR . 1.5 pt-20 -66.6 -35.21 79.66 Favored 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 110.184 -0.302 . . . . 72.22 110.184 178.435 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.74 HD11 ' HB2' ' B' ' 126' ' ' GLU . 8.5 tt -60.8 -47.76 84.88 Favored 'General case' 0 C--N 1.362 1.118 0 O-C-N 123.972 0.795 . . . . 74.01 109.634 172.629 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 81.1 m -55.68 -47.41 76.79 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 123.994 0.918 . . . . 73.04 111.017 -177.451 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -61.79 -49.18 77.36 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 124.305 1.042 . . . . 74.3 110.833 176.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.673 ' HB3' HD21 ' B' ' 130' ' ' LEU . 16.9 tp -70.13 -36.2 74.63 Favored 'General case' 0 CA--C 1.555 1.149 0 CA-C-N 114.724 -1.125 . . . . 74.45 110.828 -170.217 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.9 -29.89 39.99 Favored 'General case' 0 N--CA 1.494 1.736 0 C-N-CA 123.202 0.601 . . . . 74.4 111.134 -179.05 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.3 tp -56.53 -63.03 1.33 Allowed 'General case' 0 C--N 1.347 0.489 0 O-C-N 124.258 0.973 . . . . 72.33 109.305 175.342 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -64.36 -32.23 73.76 Favored 'General case' 0 CA--C 1.55 0.974 0 CA-C-N 115.55 -0.75 . . . . 64.12 111.55 -178.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.438 HD12 HD13 ' B' ' 130' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.494 1.765 0 C-N-CA 124.086 0.954 . . . . 74.32 109.695 178.154 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 102' ' ' PHE . . . . . 0.48 ' HD2' HD23 ' B' ' 105' ' ' LEU . 88.6 m-85 . . . . . 0 N--CA 1.485 1.316 0 N-CA-C 113.489 0.922 . . . . 71.43 113.489 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 103' ' ' LYS . . . . . 0.441 ' HD3' ' N ' ' B' ' 104' ' ' LYS . 0.0 OUTLIER -60.33 -32.12 70.94 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-O 121.379 0.609 . . . . 70.53 109.807 176.551 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 104' ' ' LYS . . . . . 0.441 ' N ' ' HD3' ' B' ' 103' ' ' LYS . 0.0 OUTLIER -71.86 -36.21 70.07 Favored 'General case' 0 C--O 1.214 -0.795 0 CA-C-N 114.583 -1.19 . . . . 52.23 110.611 179.764 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 105' ' ' LEU . . . . . 0.48 HD23 ' HD2' ' B' ' 102' ' ' PHE . 0.4 OUTLIER -60.34 -43.52 96.37 Favored 'General case' 0 C--N 1.375 1.691 0 N-CA-C 107.873 -1.158 . . . . 73.13 107.873 179.87 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 106' ' ' TYR . . . . . 0.439 ' CD2' HD11 ' A' ' 9' ' ' ILE . 29.6 t80 -57.5 -47.58 81.54 Favored 'General case' 0 C--N 1.358 0.943 0 CA-C-N 114.757 -1.11 . . . . 62.54 109.836 176.728 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 107' ' ' GLU . . . . . 0.409 ' HG2' ' O ' ' B' ' 103' ' ' LYS . 52.6 mm-40 -64.28 -42.87 96.21 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.814 0.845 . . . . 71.54 113.039 -178.184 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 108' ' ' GLN . . . . . 0.431 ' HG2' ' O ' ' B' ' 104' ' ' LYS . 5.5 mm100 -69.15 -52.3 29.51 Favored 'General case' 0 N--CA 1.484 1.227 0 O-C-N 123.209 0.318 . . . . 73.25 110.788 -172.862 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 109' ' ' ILE . . . . . 0.404 HG22 HG22 ' A' ' 9' ' ' ILE . 23.6 mt -67.55 -35.01 71.79 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.012 0 O-C-N 123.666 0.604 . . . . 75.34 110.501 -177.396 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -73.26 -32.63 64.81 Favored 'General case' 0 N--CA 1.491 1.623 0 C-N-CA 123.266 0.626 . . . . 73.52 110.384 178.082 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.69 -46.07 83.91 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 122.647 0.379 . . . . 74.21 110.199 174.807 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 39.8 tp10 -66.38 -36.23 82.34 Favored 'General case' 0 C--O 1.21 -0.999 0 CA-C-N 115.568 -0.742 . . . . 73.52 110.223 175.295 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -61.48 -42.22 98.46 Favored 'General case' 0 N--CA 1.495 1.782 0 C-N-CA 124.574 1.15 . . . . 73.24 111.002 178.652 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -68.36 -46.01 71.24 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.791 0.836 . . . . 71.44 110.386 176.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 8.4 ttpt -56.87 -40.72 76.69 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-N 115.628 -0.714 . . . . 72.2 110.369 176.677 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 116' ' ' LEU . . . . . 0.413 ' HA ' ' HG3' ' B' ' 119' ' ' GLN . 83.1 mt -69.05 -34.99 76.08 Favored 'General case' 0 C--N 1.35 0.617 0 CA-C-N 114.906 -1.043 . . . . 65.12 110.63 178.18 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.35 -37.54 87.36 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.333 0.653 . . . . 73.24 110.014 178.685 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -76.08 -44.9 36.71 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.183 0.993 . . . . 75.31 111.199 -176.684 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 119' ' ' GLN . . . . . 0.444 HE22 ' HB3' ' A' ' 20' ' ' LEU . 5.3 pp0? -69.28 -39.26 78.45 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.16 0.584 . . . . 72.4 111.199 -177.838 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 120' ' ' LEU . . . . . 0.524 HD22 HE22 ' A' ' 19' ' ' GLN . 1.6 pp -69.52 -39.54 77.46 Favored 'General case' 0 C--N 1.358 0.973 0 N-CA-C 108.823 -0.806 . . . . 72.34 108.823 179.581 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 121' ' ' HIS . . . . . 0.541 ' O ' ' HG2' ' B' ' 125' ' ' MET . 15.1 t-80 -55.55 -48.24 75.07 Favored 'General case' 0 C--N 1.357 0.892 0 O-C-N 124.226 0.954 . . . . 72.34 109.731 176.023 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 122' ' ' ASP . . . . . 0.482 ' O ' ' HG3' ' B' ' 126' ' ' GLU . 22.2 t70 -57.16 -49.69 75.17 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 124.238 0.961 . . . . 71.32 110.343 177.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 123' ' ' THR . . . . . 0.506 HG22 HG22 ' A' ' 23' ' ' THR . 13.9 m -60.92 -36.53 79.54 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.52 0.728 . . . . 54.44 111.356 -179.545 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 124' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -72.26 -35.07 68.67 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 122.961 0.504 . . . . 70.11 109.994 -179.54 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 125' ' ' MET . . . . . 0.541 ' HG2' ' O ' ' B' ' 121' ' ' HIS . 92.4 mmm -62.92 -45.58 91.85 Favored 'General case' 0 C--N 1.359 0.998 0 C-N-CA 123.048 0.539 . . . . 74.41 110.573 176.131 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 126' ' ' GLU . . . . . 0.74 ' HB2' HD11 ' A' ' 27' ' ' LEU . 9.6 mt-10 -62.67 -43.86 97.72 Favored 'General case' 0 N--CA 1.483 1.191 0 N-CA-C 108.708 -0.849 . . . . 71.21 108.708 178.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 127' ' ' LEU . . . . . 0.506 HD22 HG23 ' A' ' 23' ' ' THR . 37.3 tp -64.88 -27.48 68.89 Favored 'General case' 0 CA--C 1.556 1.187 0 O-C-N 124.321 1.013 . . . . 64.21 111.557 179.195 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 128' ' ' THR . . . . . . . . . . . . . 99.3 m -73.54 -44.76 56.77 Favored 'General case' 0 N--CA 1.495 1.824 0 C-N-CA 123.24 0.616 . . . . 73.25 110.071 176.738 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 129' ' ' ASP . . . . . 0.41 ' O ' ' HG3' ' B' ' 133' ' ' GLN . 52.9 m-20 -61.14 -45.24 95.46 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.549 0.739 . . . . 71.15 109.699 175.49 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 130' ' ' LEU . . . . . 0.673 HD21 ' HB3' ' A' ' 30' ' ' LEU . 4.8 tp -63.24 -46.05 88.73 Favored 'General case' 0 C--O 1.215 -0.726 0 C-N-CA 125.735 1.614 . . . . 74.52 110.271 -178.092 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 24.0 tptp -51.61 -46.61 63.65 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 125.41 1.484 . . . . 73.45 111.024 174.654 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 62.9 tp -65.97 -49.68 67.0 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 115.358 -0.837 . . . . 71.34 110.94 178.434 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 133' ' ' GLN . . . . . 0.438 ' HB2' HD11 ' A' ' 34' ' ' LEU . 61.0 mt-30 -68.53 -27.38 66.05 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.492 0.717 . . . . 73.25 111.269 -175.811 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 1.5 tm? . . . . . 0 N--CA 1.48 1.068 0 C-N-CA 124.116 0.966 . . . . 54.31 108.432 -176.694 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.605 ' HD3' ' H ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.476 0.855 0 CA-C-O 121.804 0.812 . . . . 73.22 109.025 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.605 ' H ' ' HD3' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -85.41 -22.62 28.27 Favored 'General case' 0 C--O 1.211 -0.957 0 CA-C-N 114.727 -1.124 . . . . 73.52 109.086 -178.597 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.432 HD21 ' HB2' ' B' ' 106' ' ' TYR . 33.3 tp -54.54 -44.25 72.66 Favored 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 109.594 -0.521 . . . . 70.01 109.594 172.197 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -55.89 -53.36 57.77 Favored 'General case' 0 C--N 1.356 0.849 0 CA-C-N 114.466 -1.243 . . . . 73.34 109.886 171.531 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 -53.78 -38.2 64.23 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.921 0.888 . . . . 75.31 112.443 -179.412 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.44 ' HG2' ' O ' ' A' ' 4' ' ' LYS . 12.3 mm-40 -64.98 -69.69 0.28 Allowed 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.469 0.708 . . . . 74.31 111.811 -174.429 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.576 HD11 ' CD2' ' B' ' 106' ' ' TYR . 17.5 mt -59.28 -41.07 82.94 Favored 'Isoleucine or valine' 0 C--N 1.359 0.988 0 O-C-N 123.713 0.633 . . . . 61.31 111.161 -179.789 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -67.47 -31.69 72.02 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.314 0.646 . . . . 73.33 111.138 -176.359 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.17 -45.34 88.84 Favored 'General case' 0 N--CA 1.483 1.191 0 CA-C-N 118.087 0.403 . . . . 74.02 110.137 174.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.475 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 4.6 tp10 -66.42 -41.73 88.81 Favored 'General case' 0 C--O 1.213 -0.866 0 CA-C-N 115.969 -0.559 . . . . 75.41 110.386 176.384 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -64.31 -42.16 96.47 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 125.393 1.477 . . . . 54.11 110.432 -176.274 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.477 ' HA ' ' HE2' ' A' ' 17' ' ' LYS . 2.9 tt0 -61.0 -49.46 77.34 Favored 'General case' 0 C--O 1.24 0.588 0 C-N-CA 124.823 1.249 . . . . 74.03 109.653 175.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.5 ttpt -56.57 -43.36 79.95 Favored 'General case' 0 C--O 1.217 -0.613 0 O-C-N 124.44 1.088 . . . . 72.03 109.959 177.307 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' ' 12' ' ' GLU . 94.2 mt -65.3 -29.62 70.39 Favored 'General case' 0 C--N 1.357 0.91 0 C-N-CA 124.027 0.931 . . . . 71.12 111.388 -177.289 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.481 ' HA ' HD23 ' A' ' 20' ' ' LEU . 49.0 mtmt -73.96 -35.13 64.48 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 122.808 0.443 . . . . 75.13 111.038 174.437 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.99 -49.3 46.77 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.05 0.54 . . . . 53.03 110.617 -177.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -70.29 -32.7 70.6 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.515 0.726 . . . . 65.51 112.153 -179.393 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.481 HD23 ' HA ' ' A' ' 17' ' ' LYS . 0.6 OUTLIER -66.19 -41.17 90.61 Favored 'General case' 0 N--CA 1.483 1.203 0 N-CA-C 108.748 -0.834 . . . . 74.05 108.748 173.727 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 14.0 t-80 -60.06 -36.41 77.27 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.928 0.891 . . . . 72.1 110.307 -178.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.41 ' HA ' ' HG2' ' A' ' 25' ' ' MET . 70.9 m-20 -71.45 -45.41 62.7 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 123.811 0.695 . . . . 75.42 111.518 175.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.521 HG21 ' ND2' ' B' ' 124' ' ' ASN . 12.0 m -67.86 -29.64 68.82 Favored 'General case' 0 CA--C 1.545 0.759 0 O-C-N 123.38 0.425 . . . . 73.01 111.282 -178.84 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.412 ' OD1' HG21 ' B' ' 123' ' ' THR . 3.6 m-20 -75.26 -45.21 41.42 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.794 0.838 . . . . 73.01 109.638 179.37 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.41 ' HG2' ' HA ' ' A' ' 22' ' ' ASP . 22.5 ptp -69.06 -36.99 78.28 Favored 'General case' 0 C--N 1.356 0.865 0 O-C-N 123.429 0.456 . . . . 52.32 110.265 -175.429 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.523 ' O ' ' HB2' ' A' ' 30' ' ' LEU . 18.4 pt-20 -78.51 -31.03 47.46 Favored 'General case' 0 C--O 1.203 -1.382 0 O-C-N 123.756 0.66 . . . . 74.13 110.13 -178.597 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 48.8 tp -60.47 -48.33 82.24 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.708 0.803 . . . . 74.23 111.259 171.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 35.5 m -65.53 -41.29 93.24 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.377 0.671 . . . . 73.11 110.602 179.123 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -69.63 -33.42 72.61 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.91 0.884 . . . . 72.31 110.748 178.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.556 HD23 ' HB3' ' B' ' 130' ' ' LEU . 11.9 tp -67.39 -43.23 81.85 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.784 0.834 . . . . 75.01 108.771 179.644 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.441 ' HA ' HD11 ' B' ' 130' ' ' LEU . 0.0 OUTLIER -70.4 -31.07 68.14 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.757 1.223 . . . . 71.31 110.084 -179.535 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 46.3 tp -63.85 -59.38 4.6 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 115.266 -0.879 . . . . 75.12 109.856 -179.016 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.52 -19.69 59.19 Favored 'General case' 0 CA--C 1.554 1.117 0 CA-C-N 116.201 -0.454 . . . . 74.24 111.879 179.773 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 25.6 tp . . . . . 0 N--CA 1.486 1.351 0 C-N-CA 123.231 0.612 . . . . 54.41 110.199 170.19 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 102' ' ' PHE . . . . . 0.471 ' HD1' HD23 ' B' ' 105' ' ' LEU . 97.8 m-85 . . . . . 0 CA--C 1.545 0.752 0 N-CA-C 111.731 0.271 . . . . 73.13 111.731 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.87 -34.26 75.68 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 108.861 -0.792 . . . . 74.52 108.861 172.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 104' ' ' LYS . . . . . 0.449 ' O ' ' HG2' ' B' ' 108' ' ' GLN . 0.0 OUTLIER -59.32 -42.63 91.87 Favored 'General case' 0 C--N 1.359 0.985 0 CA-C-N 114.808 -1.087 . . . . 72.42 111.209 172.859 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 105' ' ' LEU . . . . . 0.471 HD23 ' HD1' ' B' ' 102' ' ' PHE . 0.4 OUTLIER -61.99 -41.61 98.23 Favored 'General case' 0 C--N 1.381 1.94 0 N-CA-C 108.728 -0.842 . . . . 73.52 108.728 -176.256 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 106' ' ' TYR . . . . . 0.576 ' CD2' HD11 ' A' ' 9' ' ' ILE . 49.6 t80 -55.12 -49.88 70.64 Favored 'General case' 0 C--N 1.366 1.293 0 O-C-N 124.77 1.293 . . . . 74.44 108.986 177.334 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -63.91 -41.02 97.78 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 113.096 0.776 . . . . 75.42 113.096 -178.41 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 108' ' ' GLN . . . . . 0.449 ' HG2' ' O ' ' B' ' 104' ' ' LYS . 12.9 mm-40 -64.77 -58.23 6.81 Favored 'General case' 0 N--CA 1.483 1.194 0 O-C-N 123.404 0.44 . . . . 75.44 110.607 -174.506 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 15.7 mt -67.63 -38.62 80.75 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.974 0 CA-C-N 115.469 -0.787 . . . . 52.53 110.811 -176.789 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 110' ' ' LEU . . . . . 0.401 ' HB2' HD13 ' A' ' 9' ' ' ILE . 1.5 tm? -68.87 -33.17 73.35 Favored 'General case' 0 N--CA 1.492 1.633 0 C-N-CA 123.481 0.712 . . . . 71.31 110.747 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.13 -41.75 97.1 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-O 120.973 0.416 . . . . 64.03 109.919 175.824 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 112' ' ' GLU . . . . . 0.437 ' O ' ' HG ' ' B' ' 116' ' ' LEU . 8.8 tp10 -70.83 -37.91 73.2 Favored 'General case' 0 C--O 1.214 -0.807 0 CA-C-N 115.253 -0.885 . . . . 62.42 110.833 175.867 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -64.19 -43.58 94.62 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 124.825 1.25 . . . . 73.31 110.177 -177.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -54.28 -54.97 33.01 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.529 1.531 . . . . 73.43 109.955 172.534 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 20.4 ttpt -57.85 -39.31 77.4 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 114.257 -1.338 . . . . 61.21 110.339 -179.537 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 116' ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' B' ' 112' ' ' GLU . 69.9 mt -68.04 -30.59 69.85 Favored 'General case' 0 C--N 1.355 0.829 0 O-C-N 123.961 0.788 . . . . 71.14 111.636 -177.378 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -72.67 -37.37 67.93 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 120.787 0.327 . . . . 72.15 110.701 175.699 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -74.3 -39.98 62.55 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 116.033 -0.531 . . . . 43.12 111.314 -177.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 119' ' ' GLN . . . . . 0.423 ' HG3' ' HA ' ' B' ' 116' ' ' LEU . 5.2 pp0? -74.38 -35.58 63.52 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.231 0.612 . . . . 62.23 110.928 -177.813 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 1.4 pp -67.42 -42.22 83.56 Favored 'General case' 0 C--N 1.362 1.135 0 N-CA-C 109.387 -0.597 . . . . 75.55 109.387 178.173 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -58.92 -47.73 83.98 Favored 'General case' 0 C--N 1.36 1.039 0 O-C-N 123.671 0.607 . . . . 74.1 109.523 175.774 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 122' ' ' ASP . . . . . 0.44 ' O ' ' HG2' ' B' ' 126' ' ' GLU . 26.1 t70 -58.13 -42.01 84.91 Favored 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 125.115 1.366 . . . . 74.02 111.869 178.762 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 123' ' ' THR . . . . . 0.493 HG22 HG22 ' A' ' 23' ' ' THR . 81.7 m -73.43 -33.75 65.09 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.824 0.85 . . . . 74.22 110.791 -179.576 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 124' ' ' ASN . . . . . 0.521 ' ND2' HG21 ' A' ' 23' ' ' THR . 9.2 m-80 -73.54 -25.43 60.4 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.491 0.716 . . . . 65.12 110.427 175.804 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 125' ' ' MET . . . . . . . . . . . . . 7.8 mmt -70.7 -43.1 69.7 Favored 'General case' 0 C--N 1.352 0.677 0 C-N-CA 122.962 0.505 . . . . 64.04 109.881 170.565 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 126' ' ' GLU . . . . . 0.44 ' HG2' ' O ' ' B' ' 122' ' ' ASP . 50.6 mm-40 -59.43 -39.72 84.42 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.029 0.532 . . . . 72.43 110.288 173.841 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 127' ' ' LEU . . . . . 0.506 HD22 HG23 ' A' ' 23' ' ' THR . 40.7 tp -68.12 -41.39 81.79 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 124.658 1.183 . . . . 61.4 111.038 -178.881 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 128' ' ' THR . . . . . . . . . . . . . 90.5 m -66.63 -40.72 88.88 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.735 0.814 . . . . 64.52 110.184 176.272 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 129' ' ' ASP . . . . . 0.453 ' O ' ' HB3' ' B' ' 132' ' ' LEU . 15.0 t70 -65.98 -38.41 88.45 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 114.421 -1.263 . . . . 74.13 109.71 178.877 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 130' ' ' LEU . . . . . 0.556 ' HB3' HD23 ' A' ' 30' ' ' LEU . 0.4 OUTLIER -71.63 -47.12 56.6 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.38 0.672 . . . . 63.23 109.754 -176.214 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 131' ' ' LYS . . . . . 0.421 ' HA ' ' HB2' ' B' ' 134' ' ' LEU . 0.2 OUTLIER -67.64 -19.0 65.15 Favored 'General case' 0 C--N 1.357 0.925 0 O-C-N 123.431 0.457 . . . . 73.31 110.187 179.933 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 132' ' ' LEU . . . . . 0.453 ' HB3' ' O ' ' B' ' 129' ' ' ASP . 40.9 tp -68.02 -48.11 66.6 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.226 0.611 . . . . 73.15 110.695 169.879 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 133' ' ' GLN . . . . . . . . . . . . . 17.8 mp0 -64.33 -27.77 69.25 Favored 'General case' 0 N--CA 1.488 1.46 0 CA-C-N 118.308 0.504 . . . . 60.25 110.886 172.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 134' ' ' LEU . . . . . 0.421 ' HB2' ' HA ' ' B' ' 131' ' ' LYS . 7.5 tp . . . . . 0 N--CA 1.479 1.01 0 C-N-CA 123.974 0.91 . . . . 64.03 110.196 -177.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.474 0.752 0 N-CA-C 109.496 -0.557 . . . . 71.25 109.496 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.472 ' O ' ' HG2' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -74.15 -31.3 62.66 Favored 'General case' 0 C--O 1.204 -1.299 0 CA-C-O 119.14 -0.457 . . . . 74.03 109.793 -176.749 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 17.8 tp -52.32 -50.89 61.36 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-O 121.654 0.74 . . . . 72.3 110.392 174.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -59.57 -44.41 93.31 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 113.546 -1.661 . . . . 61.34 110.383 175.685 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -65.96 -36.2 82.68 Favored 'General case' 0 C--O 1.214 -0.771 0 C-N-CA 123.856 0.862 . . . . 64.42 112.795 -177.655 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.472 ' HG2' ' O ' ' A' ' 4' ' ' LYS . 8.7 mm-40 -65.62 -62.05 1.74 Allowed 'General case' 0 N--CA 1.487 1.401 0 CA-C-N 118.198 0.454 . . . . 72.23 110.664 -174.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.537 HD13 ' HB2' ' B' ' 110' ' ' LEU . 19.1 mt -65.23 -40.04 87.4 Favored 'Isoleucine or valine' 0 C--N 1.354 0.79 0 O-C-N 123.693 0.62 . . . . 72.33 111.504 -178.368 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 19.0 tp -73.19 -28.35 62.14 Favored 'General case' 0 N--CA 1.484 1.263 0 N-CA-C 112.26 0.467 . . . . 74.54 112.26 -176.495 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.43 -42.38 92.52 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 109.297 -0.631 . . . . 74.22 109.297 172.633 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.479 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 4.6 tp10 -67.69 -39.92 84.39 Favored 'General case' 0 C--O 1.211 -0.963 0 CA-C-N 115.265 -0.879 . . . . 63.23 109.785 176.745 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -62.27 -44.61 96.13 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 125.21 1.404 . . . . 74.14 110.546 -177.662 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -58.21 -50.23 74.29 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.37 1.068 . . . . 65.32 110.156 174.56 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.2 ttpt -59.82 -42.57 93.82 Favored 'General case' 0 C--O 1.217 -0.619 0 CA-C-N 114.992 -1.004 . . . . 63.33 110.455 -179.559 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 12' ' ' GLU . 87.5 mt -65.64 -33.36 75.7 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.837 0.855 . . . . 71.32 110.532 -179.428 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.436 ' HA ' HD23 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -70.32 -33.22 71.26 Favored 'General case' 0 CA--C 1.55 0.942 0 C-N-CA 123.925 0.89 . . . . 74.34 110.141 176.325 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.48 -48.51 16.92 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.403 0.681 . . . . 72.01 111.097 -176.804 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.555 HE22 HD22 ' B' ' 120' ' ' LEU . 0.0 OUTLIER -69.44 -32.91 72.16 Favored 'General case' 0 C--N 1.346 0.421 0 C-N-CA 123.414 0.685 . . . . 71.02 111.475 -178.612 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' A' ' 17' ' ' LYS . 0.7 OUTLIER -66.93 -44.99 79.23 Favored 'General case' 0 C--O 1.21 -0.979 0 N-CA-C 108.416 -0.957 . . . . 71.3 108.416 175.051 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 40.4 t-80 -53.85 -45.15 70.84 Favored 'General case' 0 C--N 1.359 0.996 0 O-C-N 124.246 0.966 . . . . 75.33 109.648 -179.191 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -63.66 -49.11 74.48 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 114.841 -1.072 . . . . 73.42 111.603 178.468 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.491 HG22 HG22 ' B' ' 123' ' ' THR . 7.8 m -67.21 -30.21 70.08 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 122.883 0.473 . . . . 73.52 111.104 -178.264 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -75.18 -46.28 35.16 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.921 0.888 . . . . 64.31 109.714 -178.606 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 10.7 mmt -62.76 -48.55 78.67 Favored 'General case' 0 C--N 1.35 0.601 0 O-C-N 123.965 0.79 . . . . 61.31 110.884 179.456 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.514 ' O ' ' HB2' ' A' ' 30' ' ' LEU . 12.0 pt-20 -65.73 -35.84 81.88 Favored 'General case' 0 C--O 1.205 -1.265 0 CA-C-O 118.888 -0.577 . . . . 74.03 110.6 -179.034 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.659 HD11 ' HB2' ' B' ' 126' ' ' GLU . 7.1 tt -58.47 -42.63 87.94 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.867 0.867 . . . . 64.04 110.444 174.423 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.444 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 68.7 m -69.78 -43.87 71.28 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 123.572 0.749 . . . . 70.24 111.147 -177.679 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.52 -36.56 84.2 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 115.67 -0.695 . . . . 75.11 110.274 175.403 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.514 ' HB2' ' O ' ' A' ' 26' ' ' GLU . 9.4 tp -73.57 -39.85 64.36 Favored 'General case' 0 C--N 1.349 0.559 0 C-N-CA 123.576 0.75 . . . . 52.33 110.029 -175.254 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.444 ' HG3' ' O ' ' A' ' 28' ' ' THR . 0.1 OUTLIER -69.79 -33.38 72.3 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 109.133 -0.692 . . . . 72.15 109.133 -179.882 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 39.5 tp -64.88 -52.73 54.97 Favored 'General case' 0 C--N 1.35 0.593 0 CA-C-N 115.373 -0.83 . . . . 73.45 110.684 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.18 -30.79 68.0 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-O 119.846 -0.121 . . . . 51.53 111.313 178.579 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.528 HD13 HD23 ' B' ' 134' ' ' LEU . 17.3 tp . . . . . 0 N--CA 1.481 1.118 0 C-N-CA 123.174 0.59 . . . . 50.52 110.234 176.215 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 102' ' ' PHE . . . . . 0.483 ' O ' ' HG ' ' B' ' 105' ' ' LEU . 98.0 m-85 . . . . . 0 N--CA 1.476 0.827 0 CA-C-O 120.425 0.155 . . . . 72.52 111.398 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.82 -32.76 72.11 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 108.955 -0.757 . . . . 71.0 108.955 174.504 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 104' ' ' LYS . . . . . 0.469 ' O ' ' HG2' ' B' ' 108' ' ' GLN . 0.0 OUTLIER -68.43 -35.87 78.23 Favored 'General case' 0 C--N 1.355 0.831 0 CA-C-N 114.634 -1.166 . . . . 71.01 111.319 177.147 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 105' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' B' ' 102' ' ' PHE . 0.8 OUTLIER -61.2 -43.02 99.54 Favored 'General case' 0 C--N 1.376 1.759 0 N-CA-C 108.298 -1.001 . . . . 74.45 108.298 179.229 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 106' ' ' TYR . . . . . 0.477 ' CD1' HD11 ' A' ' 9' ' ' ILE . 35.6 t80 -56.04 -45.78 79.09 Favored 'General case' 0 C--N 1.362 1.135 0 O-C-N 124.657 1.223 . . . . 72.44 109.552 177.219 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -65.78 -45.89 80.78 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.528 0.731 . . . . 42.34 112.585 -179.559 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 108' ' ' GLN . . . . . 0.469 ' HG2' ' O ' ' B' ' 104' ' ' LYS . 13.6 mm-40 -65.97 -52.16 52.1 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 122.701 0.4 . . . . 75.4 111.047 -171.813 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 109' ' ' ILE . . . . . 0.417 HG22 HG22 ' A' ' 9' ' ' ILE . 20.6 mt -69.49 -38.9 77.87 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 O-C-N 123.827 0.705 . . . . 73.32 110.319 -177.308 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 110' ' ' LEU . . . . . 0.537 ' HB2' HD13 ' A' ' 9' ' ' ILE . 22.4 tp -70.57 -32.76 70.29 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 122.608 0.363 . . . . 65.32 111.637 -178.447 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.66 -44.2 91.15 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 109.942 -0.392 . . . . 70.14 109.942 175.093 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 112' ' ' GLU . . . . . 0.482 ' O ' ' HG ' ' B' ' 116' ' ' LEU . 9.0 tp10 -65.13 -38.0 89.23 Favored 'General case' 0 C--O 1.211 -0.931 0 CA-C-N 115.224 -0.898 . . . . 55.31 110.17 173.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -65.84 -39.14 90.5 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 124.821 1.249 . . . . 70.13 110.754 -176.468 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.65 -35.03 67.67 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.854 0.862 . . . . 73.34 109.346 178.466 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 6.0 ttpt -65.77 -41.34 92.18 Favored 'General case' 0 C--N 1.35 0.614 0 CA-C-N 115.291 -0.868 . . . . 71.12 108.932 177.33 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 116' ' ' LEU . . . . . 0.482 ' HG ' ' O ' ' B' ' 112' ' ' GLU . 96.7 mt -66.49 -33.63 76.12 Favored 'General case' 0 C--N 1.352 0.698 0 O-C-N 124.374 1.046 . . . . 73.41 110.316 177.184 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.59 -42.62 91.49 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 123.77 0.828 . . . . 64.55 109.656 178.575 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -74.28 -46.13 43.26 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 114.873 -1.058 . . . . 65.22 111.069 -174.804 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.17 -37.03 83.04 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 115.983 -0.553 . . . . 62.21 111.07 -177.269 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 120' ' ' LEU . . . . . 0.555 HD22 HE22 ' A' ' 19' ' ' GLN . 2.9 pp -68.14 -40.07 82.53 Favored 'General case' 0 C--N 1.365 1.27 0 N-CA-C 109.867 -0.42 . . . . 64.44 109.867 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 50.7 t-80 -57.45 -44.8 85.05 Favored 'General case' 0 C--N 1.354 0.769 0 O-C-N 124.113 0.883 . . . . 64.3 109.601 174.802 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 122' ' ' ASP . . . . . 0.4 ' O ' ' HG3' ' B' ' 126' ' ' GLU . 16.9 t70 -68.65 -36.0 77.99 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 114.95 -1.023 . . . . 75.22 111.063 -179.269 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 123' ' ' THR . . . . . 0.491 HG22 HG22 ' A' ' 23' ' ' THR . 33.4 m -69.99 -37.47 75.73 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.21 0.604 . . . . 62.21 109.846 179.733 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 124' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -68.82 -31.12 69.87 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 115.633 -0.712 . . . . 65.51 110.078 176.396 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 125' ' ' MET . . . . . . . . . . . . . 1.7 mmt -66.22 -41.08 90.61 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 122.901 0.481 . . . . 62.2 111.263 175.118 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 126' ' ' GLU . . . . . 0.659 ' HB2' HD11 ' A' ' 27' ' ' LEU . 10.9 mt-10 -71.39 -33.29 69.37 Favored 'General case' 0 N--CA 1.476 0.87 0 O-C-N 123.342 0.401 . . . . 75.11 109.994 177.081 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 127' ' ' LEU . . . . . 0.46 HD22 HG23 ' A' ' 23' ' ' THR . 53.6 tp -69.48 -35.38 75.53 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.832 0.853 . . . . 72.03 110.619 178.844 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 128' ' ' THR . . . . . . . . . . . . . 87.1 m -74.71 -36.23 62.71 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.649 0.78 . . . . 73.43 110.064 176.611 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -66.13 -39.57 89.97 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 114.563 -1.199 . . . . 72.23 110.022 175.269 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 130' ' ' LEU . . . . . 0.424 ' HB2' ' O ' ' B' ' 126' ' ' GLU . 0.2 OUTLIER -68.23 -46.71 69.79 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.932 0.893 . . . . 71.15 108.957 -179.507 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 25.8 tptp -56.53 -36.3 69.06 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.437 1.495 . . . . 74.35 111.014 174.526 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 35.5 tp -70.08 -43.04 71.96 Favored 'General case' 0 CA--C 1.543 0.705 0 O-C-N 123.532 0.52 . . . . 70.54 109.988 176.755 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 133' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 -64.2 -28.73 69.95 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 115.97 -0.559 . . . . 53.05 110.738 177.171 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 134' ' ' LEU . . . . . 0.528 HD23 HD13 ' A' ' 34' ' ' LEU . 32.8 mt . . . . . 0 N--CA 1.483 1.194 0 C-N-CA 122.991 0.517 . . . . 73.21 110.83 176.778 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.476 0.839 0 N-CA-C 110.229 -0.286 . . . . 73.4 110.229 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.459 ' O ' ' HG2' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -73.86 -31.84 63.35 Favored 'General case' 0 C--N 1.361 1.083 0 N-CA-C 108.982 -0.747 . . . . 72.32 108.982 179.568 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 36.8 tp -53.43 -47.08 69.95 Favored 'General case' 0 C--N 1.366 1.291 0 O-C-N 124.031 0.832 . . . . 72.32 110.389 176.382 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.471 ' HA ' HD13 ' B' ' 105' ' ' LEU . 36.1 t80 -53.84 -45.92 71.06 Favored 'General case' 0 C--N 1.356 0.857 0 O-C-N 124.521 1.138 . . . . 73.14 110.6 176.133 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -70.5 -36.56 73.87 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 115.247 -0.888 . . . . 63.21 113.317 -178.385 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.459 ' HG2' ' O ' ' A' ' 4' ' ' LYS . 11.4 mm-40 -67.33 -59.13 3.66 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 122.86 0.464 . . . . 64.4 111.362 -174.545 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.434 HD11 ' CD2' ' B' ' 106' ' ' TYR . 3.8 mt -55.21 -47.23 77.8 Favored 'Isoleucine or valine' 0 C--N 1.354 0.797 0 O-C-N 123.981 0.8 . . . . 75.33 110.78 177.146 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 19.1 tp -70.06 -29.05 65.96 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.006 0.922 . . . . 65.44 112.47 -173.766 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.15 -46.03 78.89 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 109.34 -0.615 . . . . 73.51 109.34 172.232 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.445 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 42.8 mm-40 -67.16 -28.48 68.15 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.351 0.661 . . . . 75.43 111.621 174.485 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -72.29 -48.23 43.94 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.391 0.677 . . . . 64.23 109.542 -177.232 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -65.47 -33.34 75.71 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-N 115.551 -0.75 . . . . 73.3 109.288 177.082 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.2 ttpt -66.81 -43.94 82.48 Favored 'General case' 0 C--N 1.356 0.872 0 CA-C-N 115.074 -0.966 . . . . 74.54 109.171 -178.449 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 12' ' ' GLU . 91.9 mt -68.53 -26.97 65.69 Favored 'General case' 0 C--N 1.358 0.937 0 C-N-CA 123.662 0.785 . . . . 75.24 111.093 179.353 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.449 ' HA ' HD23 ' A' ' 20' ' ' LEU . 55.0 mtmt -77.58 -27.01 51.25 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 122.726 0.411 . . . . 63.44 111.356 173.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.48 ' O ' ' HB3' ' A' ' 21' ' ' HIS . . . -74.53 -55.03 6.38 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 123.005 0.522 . . . . 64.31 109.679 178.261 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -64.91 -31.42 72.65 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 123.094 0.558 . . . . 74.12 112.384 -179.768 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.449 HD23 ' HA ' ' A' ' 17' ' ' LYS . 0.7 OUTLIER -65.33 -45.36 84.54 Favored 'General case' 0 C--N 1.367 1.339 0 N-CA-C 109.319 -0.623 . . . . 75.2 109.319 173.13 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.48 ' HB3' ' O ' ' A' ' 18' ' ' ALA . 2.7 t-80 -47.71 -47.07 30.1 Favored 'General case' 0 N--CA 1.491 1.586 0 C-N-CA 124.132 0.973 . . . . 73.33 110.905 177.173 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -66.19 -49.6 66.77 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 115.16 -0.927 . . . . 72.13 111.398 178.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.615 HG22 HG22 ' B' ' 123' ' ' THR . 7.2 m -66.36 -25.82 66.98 Favored 'General case' 0 N--CA 1.481 1.079 0 O-C-N 123.49 0.494 . . . . 73.4 111.493 -177.715 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.412 ' OD1' HG21 ' B' ' 123' ' ' THR . 3.9 m-20 -77.71 -48.41 16.76 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.144 0.978 . . . . 44.51 110.557 -179.285 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 27.6 ptm -66.99 -37.12 83.63 Favored 'General case' 0 N--CA 1.476 0.833 0 O-C-N 123.388 0.43 . . . . 75.31 110.514 -178.113 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.436 ' O ' HD23 ' A' ' 30' ' ' LEU . 13.0 pt-20 -79.49 -25.81 41.74 Favored 'General case' 0 C--O 1.212 -0.874 0 CA-C-N 116.179 -0.464 . . . . 61.35 110.396 -179.541 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.2 tt -61.94 -46.62 88.52 Favored 'General case' 0 C--N 1.356 0.876 0 N-CA-C 108.599 -0.889 . . . . 62.24 108.599 170.361 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 25.3 m -64.99 -33.41 75.99 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 123.912 0.885 . . . . 74.15 110.702 -177.015 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.466 ' O ' ' HG3' ' A' ' 33' ' ' GLN . 1.2 m-20 -70.31 -52.56 21.84 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.988 0.915 . . . . 74.43 111.19 175.754 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.637 ' O ' ' HB2' ' A' ' 34' ' ' LEU . 3.6 mm? -52.0 -49.39 63.41 Favored 'General case' 0 C--O 1.199 -1.557 0 O-C-N 124.588 1.18 . . . . 73.23 110.264 177.291 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 45.7 tptt -53.13 -54.6 33.38 Favored 'General case' 0 C--O 1.255 1.377 0 C-N-CA 125.869 1.668 . . . . 72.03 112.195 175.773 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.1 tt -56.81 -61.45 2.42 Favored 'General case' 0 C--O 1.246 0.916 0 CA-C-N 114.454 -1.248 . . . . 64.41 111.58 -173.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.466 ' HG3' ' O ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -72.13 -24.16 61.42 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 116.063 -0.517 . . . . 55.43 111.687 -176.667 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.656 ' HG ' HD22 ' B' ' 134' ' ' LEU . 2.4 tt . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 108.225 -1.028 . . . . 74.25 108.225 177.326 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 102' ' ' PHE . . . . . 0.431 ' O ' ' HG ' ' B' ' 105' ' ' LEU . 96.7 m-85 . . . . . 0 CA--C 1.542 0.67 0 CA-C-O 120.547 0.213 . . . . 74.45 110.882 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 103' ' ' LYS . . . . . 0.489 ' HD3' ' N ' ' B' ' 104' ' ' LYS . 0.0 OUTLIER -60.0 -31.32 69.81 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-O 121.817 0.818 . . . . 72.15 109.557 177.567 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 104' ' ' LYS . . . . . 0.497 ' O ' ' HG2' ' B' ' 108' ' ' GLN . 0.0 OUTLIER -74.93 -33.43 61.97 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-N 114.174 -1.375 . . . . 65.14 110.835 -179.884 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 105' ' ' LEU . . . . . 0.471 HD13 ' HA ' ' A' ' 6' ' ' TYR . 0.5 OUTLIER -60.04 -41.4 92.2 Favored 'General case' 0 C--N 1.375 1.704 0 N-CA-C 108.022 -1.103 . . . . 65.14 108.022 177.674 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 106' ' ' TYR . . . . . 0.434 ' CD2' HD11 ' A' ' 9' ' ' ILE . 44.1 t80 -59.16 -51.74 68.71 Favored 'General case' 0 C--N 1.368 1.392 0 O-C-N 124.572 1.17 . . . . 70.24 109.417 177.605 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -59.68 -40.99 89.68 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 113.079 0.77 . . . . 73.21 113.079 -177.091 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 108' ' ' GLN . . . . . 0.497 ' HG2' ' O ' ' B' ' 104' ' ' LYS . 13.8 mm-40 -67.68 -58.97 3.74 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 122.885 0.474 . . . . 72.41 111.225 -176.292 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 19.6 mt -69.55 -36.16 69.76 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.917 0 CA-C-N 115.632 -0.713 . . . . 64.43 110.746 -173.247 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -71.2 -34.26 70.7 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 123.659 0.784 . . . . 75.41 110.344 179.145 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -61.1 -44.36 97.48 Favored 'General case' 0 N--CA 1.486 1.355 0 CA-C-O 120.984 0.421 . . . . 64.31 110.258 174.675 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 112' ' ' GLU . . . . . 0.413 ' O ' ' HG ' ' B' ' 116' ' ' LEU . 4.5 tp10 -66.76 -41.48 87.69 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 115.277 -0.874 . . . . 74.4 110.126 176.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -60.56 -40.08 90.31 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 124.766 1.227 . . . . 75.3 110.842 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -59.61 -52.75 64.2 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.535 1.134 . . . . 73.13 110.072 174.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 14.1 ttpt -56.17 -39.13 71.88 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 114.64 -1.163 . . . . 74.33 110.196 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 116' ' ' LEU . . . . . 0.437 ' HB3' ' HB3' ' A' ' 16' ' ' LEU . 90.5 mt -67.16 -34.43 77.54 Favored 'General case' 0 C--N 1.349 0.577 0 C-N-CA 124.214 1.006 . . . . 73.01 111.9 -179.787 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 49.4 mtmt -72.64 -33.93 66.94 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-O 120.748 0.309 . . . . 75.52 110.948 176.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -73.01 -47.89 41.06 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 115.66 -0.7 . . . . 54.02 110.921 -178.13 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 119' ' ' GLN . . . . . 0.412 HE22 ' HB3' ' A' ' 20' ' ' LEU . 5.1 pp0? -66.71 -38.43 86.69 Favored 'General case' 0 C--N 1.345 0.382 0 CA-C-N 115.809 -0.632 . . . . 73.41 110.966 -179.183 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 1.7 pp -66.43 -40.65 89.63 Favored 'General case' 0 C--N 1.368 1.395 0 N-CA-C 109.287 -0.635 . . . . 70.14 109.287 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 12.2 t-80 -53.29 -47.79 68.89 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.954 0.901 . . . . 72.42 110.588 176.288 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 122' ' ' ASP . . . . . 0.444 ' O ' ' HG2' ' B' ' 126' ' ' GLU . 1.2 m-20 -63.33 -52.71 60.72 Favored 'General case' 0 C--O 1.217 -0.643 0 CA-C-N 115.191 -0.913 . . . . 64.33 110.984 177.73 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 123' ' ' THR . . . . . 0.615 HG22 HG22 ' A' ' 23' ' ' THR . 20.7 m -61.7 -27.11 68.47 Favored 'General case' 0 CA--C 1.558 1.259 0 C-N-CA 123.472 0.709 . . . . 74.21 111.748 -179.702 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 124' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -73.96 -48.49 30.08 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.117 0.967 . . . . 74.3 110.115 178.188 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 125' ' ' MET . . . . . . . . . . . . . 27.0 ptm -70.47 -27.52 64.28 Favored 'General case' 0 N--CA 1.475 0.808 0 O-C-N 123.166 0.291 . . . . 74.54 111.086 -178.809 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 126' ' ' GLU . . . . . 0.513 ' O ' ' HG ' ' B' ' 130' ' ' LEU . 6.9 mm-40 -65.68 -50.46 64.82 Favored 'General case' 0 C--N 1.353 0.74 0 N-CA-C 109.114 -0.698 . . . . 75.41 109.114 171.131 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 127' ' ' LEU . . . . . 0.466 HD22 HG23 ' A' ' 23' ' ' THR . 59.1 tp -56.46 -39.0 72.43 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.973 0.909 . . . . 63.4 111.367 178.761 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 128' ' ' THR . . . . . . . . . . . . . 20.6 m -71.22 -36.41 71.85 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.979 0.911 . . . . 71.14 110.339 178.489 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -73.89 -29.89 62.31 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.988 0.915 . . . . 73.13 110.592 -179.453 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 130' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' B' ' 126' ' ' GLU . 95.3 mt -71.97 -51.07 23.78 Favored 'General case' 0 C--N 1.351 0.661 0 C-N-CA 123.492 0.717 . . . . 74.21 109.693 179.138 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.72 -29.76 70.76 Favored 'General case' 0 C--N 1.358 0.975 0 O-C-N 123.66 0.6 . . . . 63.3 109.867 178.877 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 38.3 tp -65.39 -37.52 87.22 Favored 'General case' 0 C--N 1.359 0.99 0 C-N-CA 123.523 0.729 . . . . 73.2 109.929 173.181 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 133' ' ' GLN . . . . . 0.45 ' HB3' HD21 ' A' ' 34' ' ' LEU . 91.5 mt-30 -79.18 -16.14 57.03 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 123.052 0.541 . . . . 65.2 111.965 177.428 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 134' ' ' LEU . . . . . 0.656 HD22 ' HG ' ' A' ' 34' ' ' LEU . 3.3 mm? . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.703 -0.48 . . . . 73.45 109.703 168.587 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.527 ' HD3' ' N ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.202 0 CA-C-O 120.834 0.349 . . . . 74.3 110.443 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.527 ' N ' ' HD3' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -80.78 -30.59 36.0 Favored 'General case' 0 C--O 1.212 -0.885 0 CA-C-N 115.46 -0.791 . . . . 73.44 110.081 179.298 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 26.5 tp -56.87 -44.69 82.49 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-O 121.481 0.657 . . . . 75.35 110.223 173.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.486 ' HD1' HD13 ' B' ' 105' ' ' LEU . 30.5 t80 -54.31 -49.77 68.89 Favored 'General case' 0 C--N 1.35 0.596 0 CA-C-N 113.983 -1.462 . . . . 75.22 110.42 173.139 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -67.74 -34.72 77.39 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 124.253 1.021 . . . . 65.24 113.202 -176.128 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.439 ' HG2' ' O ' ' A' ' 4' ' ' LYS . 10.9 mm-40 -65.26 -62.45 1.53 Allowed 'General case' 0 N--CA 1.483 1.213 0 CA-C-N 118.079 0.4 . . . . 70.43 111.566 -177.239 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.565 HD11 ' CD1' ' B' ' 106' ' ' TYR . 20.4 mt -58.37 -41.23 80.85 Favored 'Isoleucine or valine' 0 C--N 1.357 0.928 0 O-C-N 123.263 0.352 . . . . 64.24 111.16 178.01 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.52 ' HA ' ' HB3' ' A' ' 13' ' ' ASN . 14.9 tp -70.44 -24.38 62.88 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.1 0.56 . . . . 72.53 112.168 -178.615 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.74 -45.98 76.92 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 122.589 0.355 . . . . 74.05 110.239 173.579 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -76.88 -22.76 52.96 Favored 'General case' 0 C--O 1.216 -0.693 0 CA-C-N 116.102 -0.499 . . . . 72.11 110.62 176.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.52 ' HB3' ' HA ' ' A' ' 10' ' ' LEU . 26.8 t-20 -66.51 -36.91 83.86 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 123.221 0.608 . . . . 62.14 109.438 172.409 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -67.86 -46.15 72.55 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.048 0.939 . . . . 61.15 110.607 171.117 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.4 ttpt -57.75 -44.71 86.3 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.419 0.687 . . . . 61.4 111.0 179.695 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.456 ' HB3' ' HB3' ' B' ' 116' ' ' LEU . 80.5 mt -70.08 -30.1 67.25 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.141 0.976 . . . . 70.23 110.417 179.351 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.452 ' HA ' HD23 ' A' ' 20' ' ' LEU . 0.3 OUTLIER -69.83 -33.32 72.14 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.508 0.723 . . . . 75.41 109.64 173.676 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.92 -56.97 4.42 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.451 0.701 . . . . 73.22 109.863 -177.233 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -63.53 -34.64 78.23 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 115.916 -0.583 . . . . 60.14 112.081 -179.198 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.452 HD23 ' HA ' ' A' ' 17' ' ' LYS . 0.6 OUTLIER -65.71 -43.03 90.39 Favored 'General case' 0 N--CA 1.486 1.358 0 N-CA-C 109.262 -0.644 . . . . 55.31 109.262 174.895 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.447 ' O ' ' HG2' ' A' ' 25' ' ' MET . 23.7 t60 -58.08 -45.06 87.77 Favored 'General case' 0 C--N 1.353 0.741 0 O-C-N 124.148 0.905 . . . . 72.54 109.309 -177.708 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -60.84 -46.98 88.44 Favored 'General case' 0 N--CA 1.468 0.465 0 O-C-N 123.926 0.766 . . . . 63.32 110.909 175.467 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.562 HG23 HD22 ' B' ' 127' ' ' LEU . 21.5 m -66.15 -29.18 69.42 Favored 'General case' 0 N--CA 1.478 0.945 0 O-C-N 123.606 0.566 . . . . 70.44 111.222 -177.72 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -75.06 -46.08 37.23 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.706 0.802 . . . . 73.14 109.568 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.447 ' HG2' ' O ' ' A' ' 21' ' ' HIS . 32.1 mmt -63.1 -47.91 80.84 Favored 'General case' 0 C--N 1.354 0.77 0 C-N-CA 123.089 0.556 . . . . 65.15 111.073 179.315 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.445 ' O ' ' HB2' ' A' ' 30' ' ' LEU . 12.6 pt-20 -72.3 -24.93 61.4 Favored 'General case' 0 C--O 1.21 -1.024 0 CA-C-O 118.865 -0.588 . . . . 65.31 111.373 -177.359 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.56 HD11 ' HB2' ' B' ' 126' ' ' GLU . 6.7 tt -67.39 -53.5 28.7 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 123.351 0.66 . . . . 73.41 109.484 173.092 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 83.2 m -67.11 -34.79 78.38 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.291 1.036 . . . . 74.3 111.275 -174.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.464 ' O ' ' HG2' ' A' ' 33' ' ' GLN . 6.4 t70 -62.59 -58.38 7.74 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 114.616 -1.175 . . . . 54.13 109.564 172.504 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.834 ' HG ' HD12 ' B' ' 130' ' ' LEU . 21.8 tp -53.4 -38.43 63.4 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.347 1.459 . . . . 72.41 111.028 -178.416 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.481 ' HA ' HD11 ' B' ' 130' ' ' LEU . 40.4 tptt -67.18 -50.18 61.95 Favored 'General case' 0 C--O 1.252 1.229 0 C-N-CA 126.333 1.853 . . . . 74.2 111.808 179.511 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 46.8 tp -59.69 -56.38 22.55 Favored 'General case' 0 C--O 1.246 0.875 0 CA-C-N 115.04 -0.982 . . . . 71.24 110.469 -176.277 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.464 ' HG2' ' O ' ' A' ' 29' ' ' ASP . 1.8 pt20 -65.67 -32.87 74.68 Favored 'General case' 0 CA--C 1.553 1.06 0 CA-C-N 115.336 -0.847 . . . . 55.32 111.562 178.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.499 HD22 HD13 ' B' ' 130' ' ' LEU . 29.0 tp . . . . . 0 N--CA 1.49 1.568 0 C-N-CA 123.628 0.771 . . . . 73.4 109.996 178.562 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 102' ' ' PHE . . . . . 0.556 ' HB3' HD23 ' B' ' 105' ' ' LEU . 97.4 m-85 . . . . . 0 C--O 1.243 0.739 0 N-CA-C 111.978 0.362 . . . . 73.41 111.978 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.24 -38.96 77.89 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 109.706 -0.479 . . . . 72.55 109.706 173.235 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 104' ' ' LYS . . . . . 0.475 ' O ' ' HG2' ' B' ' 108' ' ' GLN . 0.0 OUTLIER -64.43 -40.04 95.0 Favored 'General case' 0 C--O 1.208 -1.105 0 CA-C-N 115.159 -0.928 . . . . 65.53 109.931 178.61 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 105' ' ' LEU . . . . . 0.556 HD23 ' HB3' ' B' ' 102' ' ' PHE . 0.0 OUTLIER -55.93 -49.83 72.42 Favored 'General case' 0 C--O 1.253 1.283 0 O-C-N 123.778 0.673 . . . . 62.21 109.342 -178.106 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 106' ' ' TYR . . . . . 0.565 ' CD1' HD11 ' A' ' 9' ' ' ILE . 37.1 t80 -54.15 -48.7 70.57 Favored 'General case' 0 C--N 1.354 0.784 0 O-C-N 124.669 1.231 . . . . 75.51 109.512 179.098 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -67.64 -38.7 84.22 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.218 1.007 . . . . 75.42 113.355 -176.444 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 108' ' ' GLN . . . . . 0.475 ' HG2' ' O ' ' B' ' 104' ' ' LYS . 11.5 mm-40 -69.46 -54.66 13.19 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 122.725 0.41 . . . . 71.44 111.392 -173.786 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 23.5 mt -67.01 -34.7 71.59 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.787 0 O-C-N 123.527 0.517 . . . . 74.31 110.106 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 110' ' ' LEU . . . . . 0.402 ' HB2' ' O ' ' B' ' 106' ' ' TYR . 1.6 tm? -68.0 -34.36 76.37 Favored 'General case' 0 N--CA 1.491 1.591 0 C-N-CA 122.979 0.511 . . . . 62.23 110.839 176.726 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -67.95 -34.63 76.95 Favored 'General case' 0 N--CA 1.486 1.352 0 CA-C-O 120.943 0.402 . . . . 71.44 110.721 175.284 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 112' ' ' GLU . . . . . 0.463 ' O ' ' HG ' ' B' ' 116' ' ' LEU . 29.3 tp10 -74.18 -38.04 63.77 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 115.758 -0.655 . . . . 75.54 110.04 177.16 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -67.46 -39.11 85.31 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.322 1.449 . . . . 65.44 109.187 178.802 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 114' ' ' GLU . . . . . 0.445 ' HA ' ' HE3' ' B' ' 117' ' ' LYS . 0.9 OUTLIER -58.5 -50.85 72.27 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 125.283 1.433 . . . . 65.45 109.097 174.875 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 15.1 ttpt -55.31 -37.83 67.9 Favored 'General case' 0 C--N 1.349 0.556 0 CA-C-N 114.263 -1.335 . . . . 75.2 109.963 179.682 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 116' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' B' ' 112' ' ' GLU . 93.9 mt -66.57 -33.62 76.09 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 115.268 -0.878 . . . . 71.24 112.577 179.274 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 117' ' ' LYS . . . . . 0.445 ' HE3' ' HA ' ' B' ' 114' ' ' GLU . 0.0 OUTLIER -67.88 -37.25 81.55 Favored 'General case' 0 N--CA 1.499 1.996 0 CA-C-N 118.442 0.565 . . . . 73.01 111.264 172.511 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -69.94 -49.65 49.83 Favored 'General case' 0 C--O 1.242 0.683 0 CA-C-N 116.121 -0.49 . . . . 61.53 110.601 -177.166 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -67.57 -39.21 84.91 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 115.332 -0.849 . . . . 62.23 110.956 -176.63 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 1.7 pp -65.87 -40.36 91.55 Favored 'General case' 0 C--N 1.37 1.47 0 N-CA-C 109.38 -0.6 . . . . 74.15 109.38 -179.269 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 121' ' ' HIS . . . . . 0.457 ' O ' ' HG2' ' B' ' 125' ' ' MET . 61.3 t60 -57.16 -46.83 82.42 Favored 'General case' 0 C--N 1.356 0.867 0 O-C-N 124.193 0.933 . . . . 64.34 109.752 178.456 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 122' ' ' ASP . . . . . 0.518 ' O ' ' HG3' ' B' ' 126' ' ' GLU . 22.2 t70 -70.08 -39.57 75.52 Favored 'General case' 0 N--CA 1.475 0.777 0 O-C-N 123.777 0.673 . . . . 71.15 111.387 -178.29 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 123' ' ' THR . . . . . 0.557 HG22 HG22 ' A' ' 23' ' ' THR . 26.8 m -65.16 -32.13 73.67 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.398 0.679 . . . . 62.44 110.148 178.463 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 124' ' ' ASN . . . . . 0.412 ' OD1' HG21 ' A' ' 23' ' ' THR . 3.6 m-20 -72.76 -35.81 67.55 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 115.694 -0.685 . . . . 73.44 110.408 175.576 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 125' ' ' MET . . . . . 0.457 ' HG2' ' O ' ' B' ' 121' ' ' HIS . 83.0 mmm -64.9 -38.9 92.52 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.119 0.568 . . . . 50.23 111.594 176.804 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 126' ' ' GLU . . . . . 0.56 ' HB2' HD11 ' A' ' 27' ' ' LEU . 23.8 mt-10 -66.34 -44.73 82.46 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 109.203 -0.666 . . . . 74.22 109.203 175.533 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 127' ' ' LEU . . . . . 0.562 HD22 HG23 ' A' ' 23' ' ' THR . 45.9 tp -62.39 -37.16 84.7 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.906 1.283 . . . . 72.45 111.7 179.388 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 128' ' ' THR . . . . . . . . . . . . . 98.8 m -71.44 -43.86 65.91 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.68 0.792 . . . . 52.0 109.841 -179.69 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -65.16 -34.34 78.15 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 115.602 -0.726 . . . . 75.1 110.139 176.481 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 130' ' ' LEU . . . . . 0.834 HD12 ' HG ' ' A' ' 30' ' ' LEU . 0.2 OUTLIER -72.21 -47.67 48.76 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 115.548 -0.751 . . . . 74.24 109.941 -175.934 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.23 -23.62 63.9 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 109.882 -0.414 . . . . 73.25 109.882 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 40.4 tp -70.86 -43.74 67.84 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 123.438 0.695 . . . . 71.25 109.69 172.671 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 133' ' ' GLN . . . . . . . . . . . . . 63.7 mt-30 -63.73 -30.49 71.59 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.159 0.583 . . . . 70.45 109.98 173.648 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.47 0.568 0 C-N-CA 124.067 0.947 . . . . 65.11 108.635 -177.658 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.416 ' HD3' ' H ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.897 0 N-CA-C 109.015 -0.735 . . . . 63.04 109.015 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.45 ' O ' ' HG2' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -75.62 -29.55 59.25 Favored 'General case' 0 C--O 1.214 -0.781 0 CA-C-N 114.863 -1.062 . . . . 73.02 109.181 176.677 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 30.7 tp -54.47 -48.75 71.43 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.501 0.721 . . . . 61.12 110.467 174.827 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -56.5 -43.04 79.32 Favored 'General case' 0 C--N 1.354 0.771 0 O-C-N 124.532 1.145 . . . . 61.11 110.576 176.815 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -66.37 -39.77 89.31 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 123.976 0.91 . . . . 65.21 112.448 178.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.45 ' HG2' ' O ' ' A' ' 4' ' ' LYS . 13.3 mm-40 -65.07 -59.1 4.5 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 122.919 0.488 . . . . 72.14 111.519 -174.48 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.434 HD11 ' HD1' ' B' ' 106' ' ' TYR . 3.5 mt -58.96 -49.56 82.76 Favored 'Isoleucine or valine' 0 C--N 1.352 0.71 0 O-C-N 124.12 0.888 . . . . 62.03 110.38 -178.313 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.531 ' HA ' ' HB3' ' A' ' 13' ' ' ASN . 20.1 tp -70.62 -26.0 63.29 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 124.474 1.108 . . . . 73.45 112.623 -173.141 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.95 -51.34 69.69 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 122.582 0.353 . . . . 64.42 110.057 171.641 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.468 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 4.4 tp10 -65.27 -45.14 85.72 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-N 115.932 -0.576 . . . . 71.23 110.3 177.113 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.531 ' HB3' ' HA ' ' A' ' 10' ' ' LEU . 24.3 t-20 -57.89 -43.67 86.24 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 125.287 1.435 . . . . 72.14 110.692 -175.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.467 ' HA ' ' HE3' ' A' ' 17' ' ' LYS . 2.5 tt0 -61.63 -53.0 62.01 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 123.83 0.852 . . . . 72.3 110.049 176.342 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.7 ttpt -50.04 -41.18 47.06 Favored 'General case' 0 C--N 1.356 0.851 0 O-C-N 124.478 1.111 . . . . 72.44 110.586 176.372 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.476 ' HB3' ' HB3' ' B' ' 116' ' ' LEU . 96.0 mt -65.15 -34.31 78.08 Favored 'General case' 0 C--N 1.35 0.627 0 O-C-N 124.242 0.964 . . . . 65.24 111.796 -177.808 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.467 ' HE3' ' HA ' ' A' ' 14' ' ' GLU . 0.0 OUTLIER -67.48 -35.45 79.2 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 122.388 0.275 . . . . 71.15 111.343 172.267 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.99 -58.6 3.65 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 116.329 -0.396 . . . . 52.24 110.208 -177.233 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -62.61 -32.56 73.59 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.866 0.867 . . . . 75.1 112.343 -177.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.494 ' HB3' HE22 ' B' ' 119' ' ' GLN . 1.3 pp -66.4 -43.58 85.4 Favored 'General case' 0 C--N 1.361 1.105 0 N-CA-C 108.711 -0.848 . . . . 72.11 108.711 174.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 54.2 t60 -62.75 -34.75 77.86 Favored 'General case' 0 C--N 1.356 0.848 0 O-C-N 123.534 0.521 . . . . 73.1 110.338 -175.655 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -62.65 -56.65 15.78 Favored 'General case' 0 N--CA 1.476 0.863 0 O-C-N 124.24 0.962 . . . . 53.1 110.256 171.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.53 HG22 HG22 ' B' ' 123' ' ' THR . 16.2 m -67.27 -26.24 66.46 Favored 'General case' 0 CA--C 1.549 0.938 0 O-C-N 123.672 0.607 . . . . 74.35 112.163 -174.281 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -78.09 -48.27 16.42 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.699 0.8 . . . . 72.1 109.371 -179.124 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 25.4 ptt? -68.22 -39.55 82.33 Favored 'General case' 0 C--N 1.358 0.96 0 O-C-N 123.515 0.509 . . . . 72.22 109.954 -177.025 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.451 ' O ' ' HB2' ' A' ' 30' ' ' LEU . 16.3 pt-20 -75.41 -28.7 59.5 Favored 'General case' 0 C--N 1.357 0.927 0 CA-C-O 119.006 -0.521 . . . . 74.23 110.073 -177.825 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 66.6 tp -64.47 -43.47 94.11 Favored 'General case' 0 C--N 1.355 0.818 0 C-N-CA 122.815 0.446 . . . . 54.41 110.259 169.801 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 68.7 m -61.16 -48.96 79.18 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.38 0.672 . . . . 74.2 110.336 -179.036 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -58.95 -44.57 91.46 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.542 0.737 . . . . 72.23 110.745 173.07 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.451 ' HB2' ' O ' ' A' ' 26' ' ' GLU . 13.3 tp -69.04 -40.15 78.77 Favored 'General case' 0 C--N 1.357 0.908 0 O-C-N 123.686 0.617 . . . . 70.51 110.828 -169.783 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.3 -34.45 61.29 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 122.516 0.326 . . . . 73.54 110.857 -178.606 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 28.3 tp -58.64 -58.46 8.45 Favored 'General case' 0 C--N 1.355 0.812 0 O-C-N 124.687 1.242 . . . . 74.4 110.058 -179.091 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.45 -33.83 71.75 Favored 'General case' 0 C--O 1.24 0.554 0 CA-C-N 115.032 -0.985 . . . . 73.55 111.358 -177.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.45 HD23 HD22 ' B' ' 134' ' ' LEU . 1.3 tm? . . . . . 0 C--N 1.354 0.773 0 CA-C-O 118.272 -0.87 . . . . 62.14 110.188 -178.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 102' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 . . . . . 0 N--CA 1.474 0.75 0 N-CA-C 111.701 0.26 . . . . 71.52 111.701 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.28 -38.32 73.76 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.386 0.612 . . . . 74.0 109.658 176.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 104' ' ' LYS . . . . . 0.467 ' O ' ' HG2' ' B' ' 108' ' ' GLN . 0.0 OUTLIER -76.15 -31.35 58.53 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-N 114.953 -1.021 . . . . 62.55 110.565 -178.088 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.22 -43.74 92.29 Favored 'General case' 0 C--N 1.372 1.564 0 N-CA-C 108.046 -1.094 . . . . 63.01 108.046 177.585 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 106' ' ' TYR . . . . . 0.434 ' HD1' HD11 ' A' ' 9' ' ' ILE . 30.9 t80 -57.31 -52.9 63.47 Favored 'General case' 0 C--N 1.369 1.442 0 O-C-N 124.562 1.164 . . . . 71.34 109.16 178.078 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 52.3 mm-40 -63.28 -40.52 97.61 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 124.372 1.045 . . . . 62.31 113.322 -174.512 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 108' ' ' GLN . . . . . 0.467 ' HG2' ' O ' ' B' ' 104' ' ' LYS . 10.1 mm-40 -66.75 -56.63 9.65 Favored 'General case' 0 N--CA 1.485 1.278 0 O-C-N 123.212 0.32 . . . . 74.32 110.54 -175.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 21.4 mt -67.6 -37.51 78.86 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.798 0 O-C-N 123.696 0.623 . . . . 62.44 110.608 -175.273 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -70.99 -34.83 71.77 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 123.536 0.734 . . . . 61.45 110.657 -178.575 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -66.68 -41.24 88.41 Favored 'General case' 0 N--CA 1.482 1.173 0 CA-C-N 117.797 0.271 . . . . 54.23 110.476 177.356 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 112' ' ' GLU . . . . . 0.472 ' O ' ' HG ' ' B' ' 116' ' ' LEU . 6.3 tp10 -64.65 -45.56 86.23 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 115.816 -0.629 . . . . 64.13 109.41 174.479 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -57.8 -43.18 85.47 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 125.152 1.381 . . . . 72.4 110.587 -178.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 114' ' ' GLU . . . . . 0.436 ' HA ' ' HE3' ' B' ' 117' ' ' LYS . 4.7 tt0 -57.99 -51.83 68.03 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.642 1.177 . . . . 60.14 110.349 176.777 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 19.6 ttpt -55.18 -39.96 70.16 Favored 'General case' 0 C--N 1.351 0.667 0 O-C-N 124.586 1.179 . . . . 75.1 110.299 177.431 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 116' ' ' LEU . . . . . 0.476 ' HB3' ' HB3' ' A' ' 16' ' ' LEU . 90.6 mt -65.99 -33.56 76.1 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 124.11 0.881 . . . . 63.22 112.009 -176.859 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 117' ' ' LYS . . . . . 0.436 ' HE3' ' HA ' ' B' ' 114' ' ' GLU . 0.0 OUTLIER -69.73 -39.68 76.65 Favored 'General case' 0 N--CA 1.487 1.423 0 CA-C-N 118.135 0.425 . . . . 71.25 110.656 173.057 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -66.6 -46.08 77.1 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.219 0.608 . . . . 73.22 110.9 -176.328 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 119' ' ' GLN . . . . . 0.494 HE22 ' HB3' ' A' ' 20' ' ' LEU . 5.1 pp0? -71.16 -39.84 71.67 Favored 'General case' 0 C--N 1.345 0.387 0 CA-C-N 115.265 -0.88 . . . . 75.32 111.039 -176.243 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.5 -38.69 81.18 Favored 'General case' 0 C--N 1.36 1.052 0 N-CA-C 108.999 -0.741 . . . . 73.22 108.999 -179.139 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 15.3 t60 -56.58 -48.14 78.03 Favored 'General case' 0 C--N 1.359 1.002 0 O-C-N 124.039 0.837 . . . . 74.5 109.548 178.247 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -58.63 -54.25 49.19 Favored 'General case' 0 C--N 1.349 0.563 0 O-C-N 124.5 1.125 . . . . 73.3 110.505 176.641 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 123' ' ' THR . . . . . 0.53 HG22 HG22 ' A' ' 23' ' ' THR . 18.6 m -65.45 -26.81 68.12 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 123.5 0.72 . . . . 75.22 111.978 -174.873 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 124' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -73.21 -44.9 58.92 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 109.318 -0.623 . . . . 72.42 109.318 176.365 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 125' ' ' MET . . . . . . . . . . . . . 11.7 mmt -68.47 -25.27 64.9 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.243 0.617 . . . . 74.31 111.611 176.771 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -66.8 -49.26 66.41 Favored 'General case' 0 C--N 1.352 0.698 0 N-CA-C 108.839 -0.8 . . . . 74.44 108.839 170.078 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 127' ' ' LEU . . . . . 0.488 HD22 HG23 ' A' ' 23' ' ' THR . 32.2 tp -63.87 -31.82 73.12 Favored 'General case' 0 CA--C 1.554 1.132 0 C-N-CA 124.274 1.03 . . . . 71.0 111.011 -179.241 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 128' ' ' THR . . . . . . . . . . . . . 47.0 m -73.65 -45.88 50.03 Favored 'General case' 0 C--N 1.356 0.867 0 C-N-CA 124.118 0.967 . . . . 74.42 109.764 178.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -58.88 -42.74 90.21 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.03 0.932 . . . . 73.52 110.127 175.427 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 130' ' ' LEU . . . . . 0.411 ' HB3' HD23 ' A' ' 30' ' ' LEU . 2.8 mm? -67.66 -40.92 84.46 Favored 'General case' 0 C--O 1.226 -0.158 0 CA-C-N 115.42 -0.809 . . . . 75.43 111.399 -177.3 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.78 -28.86 67.16 Favored 'General case' 0 CA--C 1.556 1.207 0 N-CA-C 109.185 -0.672 . . . . 55.41 109.185 179.667 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 59.0 tp -68.57 -41.53 79.59 Favored 'General case' 0 C--N 1.357 0.934 0 C-N-CA 123.597 0.759 . . . . 74.33 110.259 171.329 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 133' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -66.7 -32.79 74.33 Favored 'General case' 0 N--CA 1.479 0.988 0 O-C-N 122.255 -0.278 . . . . 72.12 110.437 177.496 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 134' ' ' LEU . . . . . 0.45 HD22 HD23 ' A' ' 34' ' ' LEU . 1.9 mm? . . . . . 0 N--CA 1.473 0.684 0 C-N-CA 123.483 0.713 . . . . 72.23 110.51 178.715 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.051 0 N-CA-C 109.768 -0.456 . . . . 75.54 109.768 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.435 ' O ' ' HG2' ' A' ' 8' ' ' GLN . 0.1 OUTLIER -74.37 -24.72 59.2 Favored 'General case' 0 C--N 1.358 0.976 0 CA-C-O 118.793 -0.622 . . . . 44.41 110.018 178.776 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 34.8 tp -53.82 -47.85 70.47 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 122.648 0.379 . . . . 70.52 110.464 172.382 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -54.38 -50.96 66.28 Favored 'General case' 0 C--N 1.353 0.732 0 O-C-N 124.425 1.078 . . . . 73.41 109.949 175.043 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -59.32 -35.08 73.16 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.44 1.096 . . . . 62.52 112.772 -179.569 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.435 ' HG2' ' O ' ' A' ' 4' ' ' LYS . 11.9 mm-40 -66.32 -62.71 1.33 Allowed 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 122.952 0.501 . . . . 54.35 111.714 -177.365 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.509 HD11 ' CD2' ' B' ' 106' ' ' TYR . 3.2 mt -59.28 -43.63 90.35 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.954 0 O-C-N 123.853 0.72 . . . . 64.42 111.076 178.62 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.99 -31.68 72.41 Favored 'General case' 0 N--CA 1.49 1.575 0 C-N-CA 123.826 0.85 . . . . 52.32 110.976 -176.569 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.72 -43.37 98.98 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-O 121.053 0.454 . . . . 41.53 109.862 174.677 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.459 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 2.3 tp10 -69.66 -37.09 76.58 Favored 'General case' 0 C--O 1.213 -0.817 0 CA-C-N 114.984 -1.007 . . . . 74.43 110.787 175.83 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -66.45 -45.22 80.54 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 124.874 1.27 . . . . 73.22 110.821 -173.735 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -67.29 -45.22 77.22 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 114.713 -1.131 . . . . 64.35 110.57 176.118 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.7 ttpt -52.58 -43.69 65.43 Favored 'General case' 0 CA--C 1.549 0.907 0 O-C-N 123.707 0.629 . . . . 73.22 110.585 173.543 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 12' ' ' GLU . 94.6 mt -69.75 -32.05 70.35 Favored 'General case' 0 C--N 1.356 0.864 0 C-N-CA 123.91 0.884 . . . . 72.53 111.161 -179.693 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.43 ' HE3' ' HB3' ' A' ' 17' ' ' LYS . 0.2 OUTLIER -68.48 -33.6 74.45 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 123.447 0.699 . . . . 74.41 110.231 174.302 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.56 -52.03 14.91 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.409 0.683 . . . . 72.35 110.922 -177.688 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -66.9 -36.61 82.67 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.269 0.628 . . . . 62.22 112.113 -179.21 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.26 -45.41 88.21 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 109.047 -0.723 . . . . 72.11 109.047 176.148 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 45.6 t-80 -60.2 -42.94 96.15 Favored 'General case' 0 C--N 1.35 0.62 0 O-C-N 124.167 0.917 . . . . 72.33 109.987 -175.634 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -69.87 -37.45 76.1 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 115.708 -0.678 . . . . 72.03 111.296 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.508 ' HA ' ' HG2' ' A' ' 26' ' ' GLU . 16.2 m -72.97 -29.58 63.17 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 122.594 0.358 . . . . 74.12 110.458 178.308 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -71.08 -43.88 66.85 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 109.202 -0.666 . . . . 72.35 109.202 177.774 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 15.8 mmt -63.36 -50.07 71.38 Favored 'General case' 0 C--N 1.346 0.456 0 CA-C-N 116.233 -0.44 . . . . 72.44 111.109 178.099 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.508 ' HG2' ' HA ' ' A' ' 23' ' ' THR . 12.8 pt-20 -68.36 -27.03 65.89 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-O 119.31 -0.376 . . . . 71.45 111.157 -177.743 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 63.3 tp -70.52 -40.88 73.24 Favored 'General case' 0 C--N 1.356 0.868 0 C-N-CA 123.361 0.664 . . . . 63.55 110.636 173.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 87.7 m -63.83 -43.99 94.56 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.294 0.638 . . . . 44.05 109.849 177.468 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.506 ' O ' ' HG3' ' A' ' 33' ' ' GLN . 5.5 m-20 -59.91 -52.18 66.52 Favored 'General case' 0 C--N 1.345 0.407 0 CA-C-N 115.131 -0.941 . . . . 64.31 109.64 173.354 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.528 HD12 ' HB3' ' B' ' 130' ' ' LEU . 0.3 OUTLIER -64.74 -41.6 95.81 Favored 'General case' 0 C--O 1.207 -1.159 0 O-C-N 123.653 0.596 . . . . 43.24 109.449 -170.711 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.419 ' HE2' ' HB2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -69.15 -36.77 77.77 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 110.126 -0.324 . . . . 72.41 110.126 -176.151 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 39.7 tp -66.56 -56.52 10.41 Favored 'General case' 0 C--N 1.356 0.879 0 O-C-N 123.83 0.706 . . . . 74.25 110.766 179.584 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.506 ' HG3' ' O ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -65.82 -34.23 77.68 Favored 'General case' 0 C--O 1.25 1.08 0 O-C-N 122.242 -0.286 . . . . 72.04 111.532 -179.143 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.514 HD23 ' HA ' ' B' ' 134' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.48 1.061 0 CA-C-O 118.179 -0.915 . . . . 54.3 109.733 178.578 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 102' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 . . . . . 0 N--CA 1.471 0.623 0 N-CA-C 112.731 0.641 . . . . 75.4 112.731 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.62 -36.79 74.62 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 109.793 -0.447 . . . . 73.12 109.793 176.184 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 104' ' ' LYS . . . . . 0.427 ' O ' ' HG2' ' B' ' 108' ' ' GLN . 0.0 OUTLIER -68.47 -35.04 76.99 Favored 'General case' 0 C--N 1.361 1.068 0 CA-C-O 118.559 -0.734 . . . . 55.2 110.835 179.11 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.3 -39.66 95.2 Favored 'General case' 0 C--N 1.369 1.455 0 N-CA-C 108.399 -0.963 . . . . 75.05 108.399 -179.118 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 106' ' ' TYR . . . . . 0.509 ' CD2' HD11 ' A' ' 9' ' ' ILE . 34.1 t80 -61.79 -42.62 99.23 Favored 'General case' 0 C--N 1.359 0.979 0 O-C-N 124.102 0.876 . . . . 73.44 109.161 176.12 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -63.2 -45.3 92.37 Favored 'General case' 0 C--O 1.213 -0.823 0 C-N-CA 123.088 0.555 . . . . 74.12 111.386 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 108' ' ' GLN . . . . . 0.427 ' HG2' ' O ' ' B' ' 104' ' ' LYS . 14.3 mm-40 -67.3 -57.5 6.54 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 122.484 0.313 . . . . 61.54 111.169 -172.485 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 13.9 mt -71.53 -38.18 66.84 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.831 0 CA-C-N 115.513 -0.767 . . . . 73.34 111.011 -172.291 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 110' ' ' LEU . . . . . 0.439 ' HA ' ' HB3' ' B' ' 113' ' ' ASN . 1.5 tm? -74.61 -31.9 62.16 Favored 'General case' 0 N--CA 1.493 1.682 0 C-N-CA 123.005 0.522 . . . . 75.33 110.282 -178.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.89 -44.99 87.83 Favored 'General case' 0 N--CA 1.483 1.211 0 CA-C-O 120.961 0.41 . . . . 71.31 109.901 173.651 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 112' ' ' GLU . . . . . 0.495 ' O ' ' HG ' ' B' ' 116' ' ' LEU . 38.4 tp10 -63.32 -39.82 95.63 Favored 'General case' 0 C--O 1.209 -1.076 0 CA-C-N 115.005 -0.998 . . . . 74.43 110.538 173.548 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 113' ' ' ASN . . . . . 0.439 ' HB3' ' HA ' ' B' ' 110' ' ' LEU . 3.8 t30 -63.48 -38.24 90.36 Favored 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 124.709 1.204 . . . . 74.23 110.954 -178.476 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -67.24 -44.97 78.11 Favored 'General case' 0 C--O 1.243 0.743 0 C-N-CA 124.153 0.981 . . . . 62.43 110.11 175.023 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 20.7 ttpt -56.97 -43.01 81.19 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 115.664 -0.698 . . . . 74.13 109.908 174.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 116' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' B' ' 112' ' ' GLU . 97.8 mt -65.26 -36.92 85.59 Favored 'General case' 0 C--N 1.353 0.76 0 O-C-N 124.276 0.985 . . . . 55.52 110.82 -179.09 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.96 -42.09 97.39 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 123.673 0.789 . . . . 73.34 109.895 177.026 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -75.18 -38.89 60.66 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 115.9 -0.591 . . . . 73.22 111.683 -175.002 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -74.89 -38.53 61.85 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 122.984 0.514 . . . . 71.32 111.059 -177.552 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 2.9 pp -64.79 -39.04 92.94 Favored 'General case' 0 C--N 1.367 1.343 0 N-CA-C 108.659 -0.867 . . . . 73.51 108.659 177.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 12.2 t60 -57.27 -49.68 75.3 Favored 'General case' 0 C--N 1.355 0.805 0 O-C-N 124.522 1.139 . . . . 72.41 109.224 178.116 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 122' ' ' ASP . . . . . 0.493 ' O ' ' HG2' ' B' ' 126' ' ' GLU . 26.6 t70 -59.66 -48.12 82.93 Favored 'General case' 0 C--N 1.351 0.647 0 O-C-N 124.505 1.128 . . . . 73.35 110.761 179.038 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 123' ' ' THR . . . . . 0.487 HG22 HG22 ' A' ' 23' ' ' THR . 27.0 m -67.09 -33.41 75.43 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.676 0.79 . . . . 72.35 111.416 -175.613 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 124' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -71.23 -38.18 72.0 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.344 0.658 . . . . 73.43 109.454 176.179 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 125' ' ' MET . . . . . . . . . . . . . 1.5 mmt -69.46 -32.19 70.95 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.546 0.739 . . . . 74.53 111.656 176.556 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 126' ' ' GLU . . . . . 0.493 ' HG2' ' O ' ' B' ' 122' ' ' ASP . 11.7 mm-40 -64.66 -45.38 86.99 Favored 'General case' 0 C--O 1.215 -0.738 0 N-CA-C 108.651 -0.87 . . . . 74.12 108.651 173.366 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 37.0 tp -66.13 -33.69 76.35 Favored 'General case' 0 CA--C 1.553 1.08 0 C-N-CA 123.677 0.791 . . . . 73.31 111.49 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 128' ' ' THR . . . . . 0.492 ' O ' ' HG3' ' B' ' 131' ' ' LYS . 55.4 m -73.18 -36.37 66.57 Favored 'General case' 0 N--CA 1.484 1.232 0 CA-C-O 121.502 0.667 . . . . 74.15 110.058 177.883 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 129' ' ' ASP . . . . . 0.441 ' O ' ' HG3' ' B' ' 133' ' ' GLN . 20.5 t70 -69.32 -35.64 76.15 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 115.737 -0.665 . . . . 72.42 109.505 173.708 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 130' ' ' LEU . . . . . 0.528 ' HB3' HD12 ' A' ' 30' ' ' LEU . 1.1 mm? -71.96 -35.68 69.64 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 123.995 0.918 . . . . 65.32 111.513 -177.639 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 131' ' ' LYS . . . . . 0.492 ' HG3' ' O ' ' B' ' 128' ' ' THR . 0.1 OUTLIER -73.39 -30.6 63.37 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 108.967 -0.753 . . . . 62.31 108.967 177.13 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 51.0 tp -65.53 -46.08 80.98 Favored 'General case' 0 C--N 1.356 0.876 0 CA-C-N 116.121 -0.49 . . . . 74.55 109.886 174.713 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 133' ' ' GLN . . . . . 0.441 ' HG3' ' O ' ' B' ' 129' ' ' ASP . 55.8 mt-30 -63.05 -35.38 80.05 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 116.164 -0.471 . . . . 65.43 109.817 174.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 134' ' ' LEU . . . . . 0.514 ' HA ' HD23 ' A' ' 34' ' ' LEU . 1.4 tm? . . . . . 0 C--N 1.355 0.819 0 C-N-CA 124.199 0.999 . . . . 75.31 109.472 -176.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.474 0.762 0 N-CA-C 109.587 -0.523 . . . . 72.11 109.587 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.8 -26.28 34.53 Favored 'General case' 0 C--O 1.211 -0.965 0 CA-C-O 118.725 -0.655 . . . . 72.14 109.649 -178.162 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 19.5 tp -54.69 -48.76 72.03 Favored 'General case' 0 N--CA 1.491 1.604 0 CA-C-O 121.304 0.573 . . . . 75.01 109.604 176.513 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -54.54 -51.86 63.85 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-N 113.743 -1.571 . . . . 73.21 109.927 173.865 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -60.1 -36.26 77.03 Favored 'General case' 0 C--O 1.216 -0.675 0 O-C-N 124.127 0.892 . . . . 65.11 112.793 -176.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 -63.84 -63.96 1.02 Allowed 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 122.657 0.383 . . . . 73.14 110.719 -175.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.557 HD13 ' HB2' ' B' ' 110' ' ' LEU . 18.5 mt -60.91 -41.03 87.32 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.033 0 CA-C-O 119.321 -0.371 . . . . 32.11 111.396 178.514 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.16 -30.23 70.67 Favored 'General case' 0 N--CA 1.491 1.576 0 C-N-CA 123.324 0.65 . . . . 72.12 110.757 -177.233 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.48 -50.74 68.49 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 122.601 0.36 . . . . 74.5 110.48 179.052 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.468 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 36.6 tt0 -67.67 -38.16 83.35 Favored 'General case' 0 C--O 1.213 -0.84 0 CA-C-N 116.196 -0.456 . . . . 62.31 109.961 176.564 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -60.09 -37.88 81.25 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 124.543 1.137 . . . . 63.4 110.854 -179.626 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -65.39 -49.91 67.51 Favored 'General case' 0 C--O 1.242 0.683 0 C-N-CA 124.449 1.1 . . . . 74.32 109.902 175.845 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.6 ttpt -55.31 -42.0 73.14 Favored 'General case' 0 C--O 1.211 -0.944 0 O-C-N 124.3 1.0 . . . . 74.31 109.778 176.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.475 ' HB3' ' HB3' ' B' ' 116' ' ' LEU . 95.3 mt -65.91 -37.2 85.47 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.616 1.166 . . . . 64.23 111.317 -176.678 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.487 ' HA ' HD23 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -66.46 -36.71 83.44 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 115.857 -0.611 . . . . 73.13 109.665 176.174 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.25 -51.09 16.37 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 115.459 -0.791 . . . . 44.15 111.055 -175.072 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -66.71 -34.25 77.43 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.738 0.815 . . . . 43.35 112.053 -178.732 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.487 HD23 ' HA ' ' A' ' 17' ' ' LYS . 0.5 OUTLIER -67.46 -41.84 84.0 Favored 'General case' 0 C--N 1.351 0.673 0 N-CA-C 108.409 -0.96 . . . . 72.54 108.409 176.275 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -58.41 -41.58 85.28 Favored 'General case' 0 C--N 1.357 0.911 0 O-C-N 123.813 0.695 . . . . 73.01 109.998 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -62.17 -57.28 12.1 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 123.417 0.448 . . . . 63.11 110.546 175.76 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.565 HG22 HG22 ' B' ' 123' ' ' THR . 22.4 m -60.9 -30.72 70.35 Favored 'General case' 0 CA--C 1.548 0.892 0 O-C-N 124.31 1.006 . . . . 73.25 111.847 -174.358 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.465 ' OD1' HG21 ' B' ' 123' ' ' THR . 3.3 m-20 -74.36 -48.67 26.64 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.554 0.742 . . . . 72.44 109.512 177.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 9.3 mmt -63.11 -43.82 97.39 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.354 0.662 . . . . 70.13 111.956 -179.12 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -78.7 -22.03 47.25 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 122.773 0.429 . . . . 52.52 110.614 -177.153 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.8 tt -65.2 -40.86 94.75 Favored 'General case' 0 C--N 1.354 0.803 0 N-CA-C 108.904 -0.776 . . . . 61.31 108.904 166.649 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 20.3 m -63.46 -42.87 98.63 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 123.243 0.617 . . . . 74.12 110.188 179.169 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -59.45 -47.81 84.05 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-N 115.807 -0.633 . . . . 75.24 110.097 170.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.1 mp -62.65 -39.87 95.23 Favored 'General case' 0 C--O 1.214 -0.81 0 O-C-N 124.454 1.097 . . . . 72.21 111.866 -173.761 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.13 -34.67 59.43 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 122.685 0.394 . . . . 72.11 111.158 -177.634 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 63.3 tp -68.16 -49.38 61.33 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 124.156 0.91 . . . . 71.34 110.057 -177.647 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -69.37 -40.6 77.34 Favored 'General case' 0 CA--C 1.55 0.974 0 CA-C-N 115.517 -0.765 . . . . 73.11 109.86 179.284 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.1 tm? . . . . . 0 N--CA 1.476 0.844 0 CA-C-O 118.073 -0.965 . . . . 54.41 109.794 -177.05 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 102' ' ' PHE . . . . . 0.447 ' O ' ' HG ' ' B' ' 105' ' ' LEU . 98.5 m-85 . . . . . 0 N--CA 1.478 0.958 0 N-CA-C 111.913 0.338 . . . . 64.15 111.913 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 103' ' ' LYS . . . . . 0.428 ' HD2' ' H ' ' B' ' 103' ' ' LYS . 0.0 OUTLIER -56.56 -37.15 70.15 Favored 'General case' 0 N--CA 1.481 1.122 0 CA-C-O 121.28 0.562 . . . . 62.14 109.728 174.931 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 104' ' ' LYS . . . . . 0.491 ' O ' ' HG2' ' B' ' 108' ' ' GLN . 0.0 OUTLIER -68.43 -35.45 77.64 Favored 'General case' 0 C--O 1.211 -0.955 0 CA-C-N 114.718 -1.128 . . . . 75.24 110.857 179.36 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 105' ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' B' ' 102' ' ' PHE . 0.5 OUTLIER -60.94 -42.92 99.13 Favored 'General case' 0 C--N 1.376 1.721 0 N-CA-C 108.754 -0.832 . . . . 73.24 108.754 179.166 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 106' ' ' TYR . . . . . 0.507 ' CD2' HD11 ' A' ' 9' ' ' ILE . 44.4 t80 -57.01 -47.46 80.82 Favored 'General case' 0 C--N 1.356 0.877 0 CA-C-N 114.906 -1.043 . . . . 75.23 109.906 177.459 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -68.48 -42.57 78.5 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 123.83 0.852 . . . . 53.55 113.114 -177.537 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 108' ' ' GLN . . . . . 0.491 ' HG2' ' O ' ' B' ' 104' ' ' LYS . 11.5 mm-40 -66.09 -51.51 57.4 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 122.665 0.386 . . . . 72.54 110.859 -174.203 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 18.0 mt -69.0 -38.1 78.04 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.731 0 CA-C-N 115.993 -0.549 . . . . 64.23 110.702 -178.172 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 110' ' ' LEU . . . . . 0.557 ' HB2' HD13 ' A' ' 9' ' ' ILE . 20.8 tp -74.17 -27.19 60.71 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 122.504 0.322 . . . . 71.4 111.614 -178.822 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -67.0 -41.49 86.62 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-O 120.828 0.347 . . . . 75.41 110.067 172.017 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 112' ' ' GLU . . . . . 0.489 ' O ' ' HG ' ' B' ' 116' ' ' LEU . 24.9 tp10 -67.82 -41.75 82.58 Favored 'General case' 0 C--O 1.211 -0.945 0 CA-C-N 115.284 -0.871 . . . . 75.41 110.357 175.563 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 34.5 t-20 -65.38 -42.2 92.96 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 124.686 1.194 . . . . 54.34 110.332 -177.68 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -59.01 -47.63 84.51 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.372 1.069 . . . . 74.32 110.432 173.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 29.9 ttpt -58.16 -47.12 84.37 Favored 'General case' 0 C--N 1.347 0.479 0 CA-C-N 115.343 -0.844 . . . . 64.14 109.976 177.368 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 116' ' ' LEU . . . . . 0.489 ' HG ' ' O ' ' B' ' 112' ' ' GLU . 95.4 mt -64.03 -29.39 70.54 Favored 'General case' 0 C--N 1.351 0.667 0 O-C-N 124.049 0.843 . . . . 64.11 110.901 -176.759 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 117' ' ' LYS . . . . . 0.461 ' HA ' HD23 ' B' ' 120' ' ' LEU . 0.2 OUTLIER -68.87 -44.39 73.4 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 123.758 0.823 . . . . 74.11 110.29 176.514 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -70.26 -45.74 65.81 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 115.175 -0.921 . . . . 61.4 111.3 -176.401 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.91 -31.77 64.89 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.753 0.821 . . . . 63.43 111.494 -175.265 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 120' ' ' LEU . . . . . 0.461 HD23 ' HA ' ' B' ' 117' ' ' LYS . 0.9 OUTLIER -67.36 -43.79 80.57 Favored 'General case' 0 C--N 1.359 0.979 0 N-CA-C 109.105 -0.702 . . . . 72.34 109.105 175.709 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 44.3 t-80 -60.23 -37.63 80.92 Favored 'General case' 0 C--N 1.357 0.898 0 O-C-N 123.984 0.803 . . . . 75.33 110.221 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 122' ' ' ASP . . . . . 0.523 ' O ' ' HG2' ' B' ' 126' ' ' GLU . 20.3 t70 -59.14 -60.91 3.1 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 114.502 -1.227 . . . . 75.53 110.385 171.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 123' ' ' THR . . . . . 0.565 HG22 HG22 ' A' ' 23' ' ' THR . 16.8 m -61.47 -26.02 67.63 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 122.966 0.507 . . . . 75.31 112.108 -176.387 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 124' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -71.45 -42.21 68.47 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.375 0.67 . . . . 64.25 110.535 177.582 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 125' ' ' MET . . . . . 0.492 ' HG2' ' O ' ' B' ' 122' ' ' ASP . 22.5 ptp -74.2 -27.19 60.69 Favored 'General case' 0 C--N 1.358 0.949 0 N-CA-C 110.3 -0.259 . . . . 71.11 110.3 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 126' ' ' GLU . . . . . 0.523 ' HG2' ' O ' ' B' ' 122' ' ' ASP . 8.8 mm-40 -68.67 -42.88 77.25 Favored 'General case' 0 C--N 1.354 0.769 0 N-CA-C 109.199 -0.667 . . . . 72.21 109.199 173.734 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 9.3 tt -62.5 -38.74 91.08 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.479 0.712 . . . . 70.02 109.975 176.764 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 128' ' ' THR . . . . . . . . . . . . . 84.2 m -64.48 -36.55 84.56 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.681 0.792 . . . . 71.33 110.964 176.375 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 129' ' ' ASP . . . . . 0.415 ' O ' ' HG3' ' B' ' 133' ' ' GLN . 13.3 t70 -62.76 -47.72 82.3 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.055 0.542 . . . . 71.03 109.894 174.057 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 130' ' ' LEU . . . . . 0.415 HD13 ' HA ' ' B' ' 130' ' ' LEU . 3.2 mm? -60.09 -37.92 81.38 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 123.904 0.753 . . . . 53.12 111.823 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 9.7 mtmp? -60.92 -55.16 36.23 Favored 'General case' 0 C--N 1.354 0.769 0 N-CA-C 109.476 -0.564 . . . . 75.14 109.476 173.693 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 42.2 tp -52.29 -39.11 60.07 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 124.971 1.42 . . . . 72.11 111.487 -176.49 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 133' ' ' GLN . . . . . 0.415 ' HG3' ' O ' ' B' ' 129' ' ' ASP . 59.4 mt-30 -69.24 -36.92 77.67 Favored 'General case' 0 C--O 1.215 -0.727 0 C-N-CA 122.672 0.389 . . . . 64.52 111.005 178.283 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 54.8 mt . . . . . 0 N--CA 1.488 1.462 0 C-N-CA 123.091 0.556 . . . . 74.44 110.473 173.81 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.435 ' HD3' ' H ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.155 0 CA-C-O 121.391 0.615 . . . . 72.31 109.484 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.455 ' O ' ' HG2' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -78.72 -30.59 45.97 Favored 'General case' 0 C--O 1.211 -0.948 0 CA-C-N 115.087 -0.96 . . . . 73.34 109.833 177.205 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.427 ' O ' HG13 ' A' ' 9' ' ' ILE . 36.0 tp -53.52 -46.26 70.04 Favored 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 122.771 0.428 . . . . 73.24 110.193 174.24 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -55.47 -49.42 72.55 Favored 'General case' 0 C--N 1.355 0.833 0 O-C-N 124.824 1.327 . . . . 72.51 109.712 176.124 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 46.8 mm-40 -59.59 -38.27 80.76 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.344 1.058 . . . . 72.25 112.496 179.006 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.455 ' HG2' ' O ' ' A' ' 4' ' ' LYS . 10.9 mm-40 -68.69 -51.91 36.63 Favored 'General case' 0 N--CA 1.483 1.201 0 O-C-N 123.545 0.528 . . . . 75.34 111.141 -175.291 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.427 HG13 ' O ' ' A' ' 5' ' ' LEU . 3.8 mt -62.85 -49.42 83.74 Favored 'Isoleucine or valine' 0 C--N 1.359 1.02 0 O-C-N 123.521 0.513 . . . . 64.12 109.892 178.519 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.18 -27.29 69.26 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 124.683 1.193 . . . . 72.54 110.603 -177.299 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.75 -56.82 17.03 Favored 'General case' 0 N--CA 1.482 1.128 0 CA-C-O 121.35 0.595 . . . . 60.43 110.22 173.317 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.503 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 27.5 tp10 -66.26 -34.29 77.66 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 115.214 -0.903 . . . . 75.33 110.592 178.494 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -67.51 -46.25 73.41 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.342 1.057 . . . . 73.44 109.991 -175.214 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.406 ' HA ' ' HE3' ' A' ' 17' ' ' LYS . 4.2 pt-20 -63.42 -37.17 86.24 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.756 0.823 . . . . 73.52 108.782 178.831 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.4 ttpt -62.01 -42.87 99.62 Favored 'General case' 0 C--N 1.362 1.149 0 CA-C-N 114.726 -1.125 . . . . 74.35 109.192 178.404 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' A' ' 12' ' ' GLU . 95.3 mt -66.45 -30.75 71.17 Favored 'General case' 0 C--N 1.358 0.953 0 O-C-N 124.138 0.899 . . . . 51.31 112.024 -177.497 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.484 ' HA ' HD23 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -73.59 -32.83 64.32 Favored 'General case' 0 N--CA 1.49 1.569 0 CA-C-N 117.869 0.304 . . . . 63.12 111.347 172.832 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.5 -52.43 21.99 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 110.07 -0.344 . . . . 54.21 110.07 -177.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -68.01 -32.69 73.25 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.839 0.856 . . . . 74.31 112.05 -178.237 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.484 HD23 ' HA ' ' A' ' 17' ' ' LYS . 0.8 OUTLIER -65.39 -42.1 93.0 Favored 'General case' 0 C--N 1.367 1.351 0 N-CA-C 108.718 -0.845 . . . . 74.12 108.718 176.389 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.556 ' O ' ' HG3' ' A' ' 25' ' ' MET . 61.8 t60 -58.26 -47.83 82.35 Favored 'General case' 0 C--N 1.359 0.991 0 O-C-N 124.489 1.118 . . . . 72.4 109.475 -179.816 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -56.4 -51.26 68.99 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 124.317 1.011 . . . . 71.14 111.384 176.663 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.588 HG23 HD22 ' B' ' 127' ' ' LEU . 18.5 m -64.03 -29.83 70.94 Favored 'General case' 0 CA--C 1.549 0.939 0 O-C-N 124.272 0.983 . . . . 71.22 111.045 -177.561 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -70.96 -50.55 33.25 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.24 0.616 . . . . 74.22 110.252 176.686 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.556 ' HG3' ' O ' ' A' ' 21' ' ' HIS . 48.6 mtm -53.04 -58.26 7.59 Favored 'General case' 0 C--N 1.36 1.031 0 C-N-CA 123.902 0.881 . . . . 71.54 111.527 177.539 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.43 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 13.4 pt-20 -64.27 -36.18 83.27 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 124.129 0.893 . . . . 73.43 111.433 -173.68 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.749 HD11 ' HB2' ' B' ' 126' ' ' GLU . 6.3 tt -60.33 -40.78 91.86 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.779 0.832 . . . . 75.32 110.762 172.886 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.48 HG23 ' HE2' ' A' ' 31' ' ' LYS . 81.6 m -67.11 -39.51 86.69 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.451 0.701 . . . . 74.54 110.765 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.404 ' O ' ' HG3' ' A' ' 33' ' ' GLN . 22.3 m-20 -61.21 -44.49 97.19 Favored 'General case' 0 C--O 1.25 1.095 0 O-C-N 123.695 0.622 . . . . 54.31 109.943 173.815 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' ' 26' ' ' GLU . 7.1 mt -58.55 -60.94 3.02 Favored 'General case' 0 C--N 1.366 1.287 0 O-C-N 124.735 1.272 . . . . 64.35 110.071 -178.552 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.48 ' HE2' HG23 ' A' ' 28' ' ' THR . 0.0 OUTLIER -62.71 -29.36 70.61 Favored 'General case' 0 N--CA 1.481 1.121 0 O-C-N 123.937 0.773 . . . . 62.32 112.753 -174.873 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 42.7 tp -62.71 -69.08 0.28 Allowed 'General case' 0 C--N 1.353 0.723 0 O-C-N 123.693 0.62 . . . . 70.4 109.78 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.41 ' H ' ' HG3' ' A' ' 33' ' ' GLN . 2.6 pp0? -69.97 -21.85 63.21 Favored 'General case' 0 CA--C 1.554 1.099 0 N-CA-C 111.731 0.271 . . . . 74.54 111.731 -177.367 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' B' ' 134' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.351 0 C-N-CA 123.895 0.878 . . . . 73.31 110.222 175.376 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 102' ' ' PHE . . . . . 0.599 ' HA ' HD23 ' B' ' 105' ' ' LEU . 47.0 m-85 . . . . . 0 C--O 1.246 0.918 0 CA-C-O 120.915 0.388 . . . . 64.31 111.289 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.54 -42.04 87.79 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 108.791 -0.818 . . . . 74.43 108.791 174.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 104' ' ' LYS . . . . . 0.481 ' O ' ' HG2' ' B' ' 108' ' ' GLN . 0.0 OUTLIER -77.3 -25.89 51.75 Favored 'General case' 0 C--N 1.356 0.869 0 CA-C-O 118.132 -0.937 . . . . 55.23 110.578 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 105' ' ' LEU . . . . . 0.599 HD23 ' HA ' ' B' ' 102' ' ' PHE . 0.3 OUTLIER -59.33 -46.07 89.61 Favored 'General case' 0 C--N 1.372 1.562 0 N-CA-C 107.807 -1.182 . . . . 73.11 107.807 176.286 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 106' ' ' TYR . . . . . 0.413 ' CD1' HD11 ' A' ' 9' ' ' ILE . 33.5 t80 -61.86 -44.91 95.86 Favored 'General case' 0 C--N 1.363 1.184 0 CA-C-N 115.171 -0.922 . . . . 63.15 109.715 177.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 81.8 mm-40 -59.89 -44.72 94.05 Favored 'General case' 0 C--N 1.351 0.636 0 O-C-N 123.65 0.594 . . . . 73.53 112.12 -178.163 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 108' ' ' GLN . . . . . 0.481 ' HG2' ' O ' ' B' ' 104' ' ' LYS . 5.7 mm100 -70.06 -52.65 22.2 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 123.108 0.255 . . . . 73.11 111.37 -172.569 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 10.4 mt -71.84 -36.17 57.38 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.857 0 O-C-N 123.628 0.58 . . . . 71.34 110.543 -173.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.63 -34.64 69.98 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 122.894 0.478 . . . . 74.2 109.957 178.115 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -62.37 -43.05 99.73 Favored 'General case' 0 N--CA 1.486 1.325 0 CA-C-O 120.902 0.382 . . . . 35.24 110.157 173.298 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -64.35 -42.4 96.25 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 115.083 -0.962 . . . . 71.5 109.515 177.018 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -59.92 -38.97 83.88 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 125.374 1.47 . . . . 55.45 111.206 178.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -62.96 -48.89 76.91 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.771 1.228 . . . . 75.24 110.415 175.144 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 11.6 ttpt -62.26 -39.83 94.2 Favored 'General case' 0 C--N 1.349 0.544 0 CA-C-N 115.186 -0.915 . . . . 74.31 110.289 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 116' ' ' LEU . . . . . 0.455 HD13 ' HB2' ' A' ' 16' ' ' LEU . 81.8 mt -66.01 -33.85 76.76 Favored 'General case' 0 C--N 1.349 0.556 0 CA-C-N 114.83 -1.077 . . . . 74.32 110.57 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 16.8 ttpt -69.88 -40.64 75.55 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.411 0.685 . . . . 72.33 110.534 177.491 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -70.77 -44.23 67.12 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.133 0.573 . . . . 73.25 110.888 -176.66 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.93 -40.96 75.2 Favored 'General case' 0 C--N 1.348 0.538 0 CA-C-N 115.565 -0.743 . . . . 74.33 110.804 -178.5 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 1.4 pp -67.25 -39.43 86.15 Favored 'General case' 0 C--N 1.362 1.133 0 N-CA-C 109.405 -0.591 . . . . 63.42 109.405 -178.742 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 121' ' ' HIS . . . . . 0.49 ' O ' ' HG2' ' B' ' 125' ' ' MET . 65.4 t60 -58.49 -43.44 89.0 Favored 'General case' 0 C--N 1.356 0.885 0 O-C-N 123.863 0.727 . . . . 72.41 109.615 178.733 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 122' ' ' ASP . . . . . 0.52 ' O ' ' HG3' ' B' ' 126' ' ' GLU . 26.6 t70 -59.9 -51.1 71.14 Favored 'General case' 0 C--N 1.355 0.826 0 O-C-N 124.371 1.045 . . . . 73.53 110.459 176.382 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 123' ' ' THR . . . . . 0.532 HG22 HG22 ' A' ' 23' ' ' THR . 5.0 m -63.43 -28.87 70.27 Favored 'General case' 0 CA--C 1.557 1.227 0 C-N-CA 123.72 0.808 . . . . 72.14 111.054 -177.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 124' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -76.98 -35.47 57.17 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.724 0.81 . . . . 60.44 110.458 177.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 125' ' ' MET . . . . . 0.49 ' HG2' ' O ' ' B' ' 121' ' ' HIS . 85.1 mmm -61.94 -40.87 97.01 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.234 0.614 . . . . 75.44 110.947 174.044 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 126' ' ' GLU . . . . . 0.749 ' HB2' HD11 ' A' ' 27' ' ' LEU . 15.9 mt-10 -72.74 -33.38 66.34 Favored 'General case' 0 C--O 1.213 -0.839 0 O-C-N 123.822 0.701 . . . . 71.43 110.077 178.876 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 127' ' ' LEU . . . . . 0.588 HD22 HG23 ' A' ' 23' ' ' THR . 38.6 tp -64.83 -37.06 86.35 Favored 'General case' 0 CA--C 1.555 1.151 0 C-N-CA 122.977 0.511 . . . . 74.03 110.039 177.828 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 128' ' ' THR . . . . . . . . . . . . . 28.3 m -71.91 -39.48 69.5 Favored 'General case' 0 CA--C 1.561 1.379 0 C-N-CA 124.214 1.006 . . . . 73.4 110.529 175.091 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -62.93 -45.85 90.54 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.595 1.158 . . . . 54.41 110.649 178.091 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 130' ' ' LEU . . . . . 0.438 HD13 ' HA ' ' B' ' 130' ' ' LEU . 1.7 mm? -68.24 -44.52 75.5 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.063 -0.972 . . . . 70.3 110.751 -175.695 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 131' ' ' LYS . . . . . 0.475 ' HA ' HD12 ' B' ' 134' ' ' LEU . 0.0 OUTLIER -65.46 -29.86 70.58 Favored 'General case' 0 C--N 1.357 0.933 0 O-C-N 123.784 0.677 . . . . 74.21 110.628 -179.6 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 5.4 tt -64.3 -53.63 45.85 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.795 0.838 . . . . 71.12 110.715 174.177 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 133' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -57.91 -37.24 73.67 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 115.579 -0.737 . . . . 71.55 109.827 177.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 134' ' ' LEU . . . . . 0.475 HD12 ' HA ' ' B' ' 131' ' ' LYS . 19.6 mt . . . . . 0 C--O 1.217 -0.624 0 CA-C-N 114.509 -1.223 . . . . 75.31 111.951 -178.088 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.134 0 N-CA-C 109.998 -0.371 . . . . 75.3 109.998 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.22 -27.8 60.96 Favored 'General case' 0 C--N 1.358 0.977 0 CA-C-O 119.103 -0.475 . . . . 74.32 110.09 177.83 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 25.3 tp -53.87 -46.2 71.24 Favored 'General case' 0 N--CA 1.487 1.382 0 CA-C-O 121.227 0.537 . . . . 72.22 110.093 177.587 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 21.9 t80 -54.63 -55.06 33.54 Favored 'General case' 0 C--N 1.35 0.592 0 CA-C-N 113.845 -1.525 . . . . 54.44 109.475 173.419 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -57.5 -31.32 65.9 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.754 1.222 . . . . 42.11 113.335 -177.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -66.49 -64.9 0.76 Allowed 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 122.963 0.505 . . . . 74.53 111.579 -178.472 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.493 HD11 ' CD2' ' B' ' 106' ' ' TYR . 17.8 mt -62.47 -40.17 87.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 CA-C-O 119.598 -0.239 . . . . 73.5 110.667 178.746 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.04 -28.32 68.77 Favored 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 123.728 0.811 . . . . 74.51 110.698 -177.247 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.47 -49.35 77.16 Favored 'General case' 0 N--CA 1.482 1.136 0 N-CA-C 109.584 -0.524 . . . . 74.42 109.584 173.693 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.478 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 3.1 tp10 -68.48 -37.65 80.33 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 114.932 -1.031 . . . . 74.52 111.015 177.868 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -71.73 -37.16 70.63 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 124.559 1.144 . . . . 70.3 110.333 -173.062 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.486 ' HA ' ' HE2' ' A' ' 17' ' ' LYS . 2.6 tt0 -64.87 -47.18 78.82 Favored 'General case' 0 C--O 1.243 0.718 0 C-N-CA 124.482 1.113 . . . . 73.1 109.982 174.28 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.7 ttpt -54.07 -42.52 69.38 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 124.185 0.928 . . . . 71.53 110.043 172.395 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' ' 12' ' ' GLU . 89.4 mt -65.37 -33.2 75.4 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.731 0.812 . . . . 73.21 111.333 -177.531 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.486 ' HE2' ' HA ' ' A' ' 14' ' ' GLU . 56.8 mtmt -69.54 -34.94 74.94 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 122.804 0.442 . . . . 71.15 110.693 174.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.401 ' O ' ' HB3' ' A' ' 21' ' ' HIS . . . -71.62 -55.0 8.58 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 115.896 -0.593 . . . . 62.14 110.417 -178.096 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -66.27 -32.78 74.39 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.608 0.763 . . . . 75.02 112.626 -176.872 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.59 -43.53 80.3 Favored 'General case' 0 C--N 1.357 0.919 0 N-CA-C 108.535 -0.913 . . . . 73.51 108.535 175.332 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.558 ' O ' ' HG3' ' A' ' 25' ' ' MET . 63.5 t60 -51.92 -55.91 17.39 Favored 'General case' 0 C--N 1.359 1.02 0 O-C-N 124.179 0.924 . . . . 72.31 109.627 178.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -60.28 -47.02 87.77 Favored 'General case' 0 N--CA 1.478 0.937 0 O-C-N 124.092 0.87 . . . . 75.35 112.241 -179.605 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.577 HG22 HG22 ' B' ' 123' ' ' THR . 20.4 m -67.45 -27.73 67.28 Favored 'General case' 0 N--CA 1.479 0.979 0 O-C-N 123.511 0.507 . . . . 62.23 111.231 -177.725 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -74.14 -45.7 47.14 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.459 0.703 . . . . 62.31 109.967 177.729 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.558 ' HG3' ' O ' ' A' ' 21' ' ' HIS . 46.0 mtm -54.89 -58.62 6.86 Favored 'General case' 0 C--N 1.363 1.168 0 C-N-CA 123.293 0.637 . . . . 75.32 110.683 173.825 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.456 ' HG2' ' HA ' ' A' ' 23' ' ' THR . 11.3 pt-20 -70.86 -18.64 62.69 Favored 'General case' 0 C--O 1.202 -1.443 0 CA-C-N 115.402 -0.817 . . . . 74.33 111.568 -173.112 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.493 HD11 ' HB2' ' B' ' 126' ' ' GLU . 7.1 tt -67.43 -52.34 40.73 Favored 'General case' 0 C--N 1.356 0.877 0 CA-C-N 118.773 0.715 . . . . 75.14 109.117 168.646 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 29.0 m -62.0 -41.16 97.76 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 123.3 0.64 . . . . 71.55 110.514 -177.149 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.506 ' O ' ' HG2' ' A' ' 33' ' ' GLN . 3.4 m-20 -61.64 -52.88 62.54 Favored 'General case' 0 C--N 1.349 0.547 0 C-N-CA 124.049 0.94 . . . . 72.34 110.511 172.867 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.423 ' HB2' ' O ' ' A' ' 26' ' ' GLU . 0.9 OUTLIER -56.29 -45.04 80.36 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 124.075 0.95 . . . . 73.32 111.862 -175.37 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.441 ' HE2' ' HB2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -70.97 -37.46 72.76 Favored 'General case' 0 C--O 1.242 0.667 0 O-C-N 123.874 0.734 . . . . 73.4 110.383 -177.932 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.7 tp -61.74 -58.69 7.04 Favored 'General case' 0 C--N 1.352 0.679 0 CA-C-N 115.387 -0.824 . . . . 74.25 109.738 -178.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.506 ' HG2' ' O ' ' A' ' 29' ' ' ASP . 6.2 pt20 -65.66 -33.54 76.14 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 123.464 0.706 . . . . 71.14 111.044 -178.869 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.498 HD23 HD22 ' B' ' 134' ' ' LEU . 1.6 tm? . . . . . 0 N--CA 1.481 1.083 0 C-N-CA 123.494 0.717 . . . . 65.11 109.416 -179.053 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 102' ' ' PHE . . . . . 0.479 ' O ' ' HG ' ' B' ' 105' ' ' LEU . 95.0 m-85 . . . . . 0 CA--C 1.552 1.027 0 CA-C-O 120.912 0.387 . . . . 75.13 111.045 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.38 -34.71 69.14 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-O 121.859 0.838 . . . . 65.45 110.219 177.182 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 104' ' ' LYS . . . . . 0.405 ' O ' ' HG2' ' B' ' 108' ' ' GLN . 0.1 OUTLIER -73.84 -31.64 63.3 Favored 'General case' 0 C--O 1.214 -0.792 0 CA-C-N 114.389 -1.278 . . . . 72.21 109.874 -178.061 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 105' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' B' ' 102' ' ' PHE . 0.5 OUTLIER -61.78 -41.04 97.21 Favored 'General case' 0 C--N 1.384 2.076 0 N-CA-C 108.287 -1.005 . . . . 64.0 108.287 176.748 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 106' ' ' TYR . . . . . 0.493 ' CD2' HD11 ' A' ' 9' ' ' ILE . 37.9 t80 -54.98 -49.36 71.64 Favored 'General case' 0 C--N 1.369 1.426 0 O-C-N 124.309 1.006 . . . . 72.52 109.651 176.017 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -64.52 -35.07 79.77 Favored 'General case' 0 CA--C 1.552 1.031 0 N-CA-C 113.157 0.799 . . . . 71.42 113.157 177.119 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 108' ' ' GLN . . . . . 0.405 ' HG2' ' O ' ' B' ' 104' ' ' LYS . 10.2 mm-40 -65.42 -57.67 7.75 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-N 118.691 0.678 . . . . 75.41 110.86 -178.246 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 15.2 mt -70.44 -37.27 69.86 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.703 0 CA-C-N 115.586 -0.733 . . . . 70.12 111.076 -174.86 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 110' ' ' LEU . . . . . 0.458 ' HA ' ' HB3' ' B' ' 113' ' ' ASN . 1.0 OUTLIER -71.25 -32.3 68.57 Favored 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 122.914 0.485 . . . . 74.24 110.707 179.568 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -65.04 -43.43 92.35 Favored 'General case' 0 N--CA 1.486 1.332 0 N-CA-C 109.805 -0.442 . . . . 71.13 109.805 174.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 112' ' ' GLU . . . . . 0.475 ' O ' ' HG ' ' B' ' 116' ' ' LEU . 52.9 tp10 -64.78 -40.4 95.2 Favored 'General case' 0 C--O 1.204 -1.324 0 CA-C-N 114.939 -1.028 . . . . 73.33 110.239 174.177 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 113' ' ' ASN . . . . . 0.458 ' HB3' ' HA ' ' B' ' 110' ' ' LEU . 23.5 t-20 -65.05 -39.84 93.87 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 125.012 1.325 . . . . 75.53 111.003 -177.525 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -67.89 -45.98 72.95 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.258 1.023 . . . . 64.53 110.013 176.632 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 28.7 ttpt -57.85 -44.86 86.83 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.638 -0.71 . . . . 72.51 110.025 175.372 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 116' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' B' ' 112' ' ' GLU . 76.1 mt -67.04 -29.0 68.68 Favored 'General case' 0 C--N 1.352 0.705 0 O-C-N 123.976 0.797 . . . . 73.43 110.127 -177.872 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.33 -44.17 79.76 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.931 0.892 . . . . 60.3 109.843 175.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -70.96 -45.93 63.25 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 115.097 -0.956 . . . . 72.23 111.288 -175.389 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.03 -41.05 78.22 Favored 'General case' 0 C--N 1.351 0.644 0 C-N-CA 123.456 0.702 . . . . 74.24 111.278 -176.811 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.83 -41.14 92.16 Favored 'General case' 0 C--N 1.362 1.122 0 N-CA-C 109.674 -0.491 . . . . 64.22 109.674 179.466 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 22.7 t-160 -59.71 -45.93 90.63 Favored 'General case' 0 C--N 1.357 0.907 0 O-C-N 124.011 0.82 . . . . 71.4 108.911 179.774 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 122' ' ' ASP . . . . . 0.543 ' O ' ' HG3' ' B' ' 126' ' ' GLU . 16.0 t70 -59.23 -47.64 84.58 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 124.407 1.067 . . . . 65.14 110.077 176.459 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 123' ' ' THR . . . . . 0.577 HG22 HG22 ' A' ' 23' ' ' THR . 26.8 m -61.58 -35.84 78.97 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 124.381 1.072 . . . . 72.54 111.329 -177.777 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 124' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -72.92 -34.2 66.44 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.266 0.626 . . . . 71.21 110.521 177.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 125' ' ' MET . . . . . . . . . . . . . 14.5 mmt -66.91 -41.72 86.61 Favored 'General case' 0 C--N 1.351 0.647 0 O-C-N 123.463 0.477 . . . . 51.34 110.639 176.533 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 126' ' ' GLU . . . . . 0.543 ' HG3' ' O ' ' B' ' 122' ' ' ASP . 19.6 mt-10 -62.72 -41.32 99.1 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 109.088 -0.708 . . . . 62.55 109.088 176.441 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 29.3 tp -67.69 -27.25 66.67 Favored 'General case' 0 CA--C 1.561 1.389 0 CA-C-N 114.965 -1.016 . . . . 71.44 111.078 176.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 128' ' ' THR . . . . . . . . . . . . . 91.7 m -68.43 -39.38 81.58 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 123.612 0.765 . . . . 65.21 109.992 174.794 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -57.65 -50.71 72.28 Favored 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 109.435 -0.58 . . . . 61.13 109.435 170.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 130' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' B' ' 126' ' ' GLU . 80.4 mt -62.28 -37.51 85.77 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.365 0.666 . . . . 74.45 112.47 -173.186 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 131' ' ' LYS . . . . . 0.484 ' HA ' ' HB2' ' B' ' 134' ' ' LEU . 0.0 OUTLIER -80.46 -25.0 39.14 Favored 'General case' 0 C--N 1.355 0.832 0 O-C-N 123.717 0.636 . . . . 70.41 111.401 -179.773 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 57.1 tp -68.62 -54.05 18.84 Favored 'General case' 0 N--CA 1.481 1.08 0 N-CA-C 109.085 -0.709 . . . . 62.3 109.085 173.165 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.84 -29.39 70.14 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.835 0.854 . . . . 72.23 111.24 175.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 134' ' ' LEU . . . . . 0.498 HD22 HD23 ' A' ' 34' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.479 0.996 0 C-N-CA 123.757 0.823 . . . . 72.12 109.268 178.466 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.294 0 CA-C-O 121.426 0.632 . . . . 74.1 110.886 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.4 ' O ' ' HG2' ' A' ' 8' ' ' GLN . 0.1 OUTLIER -83.8 -33.05 25.03 Favored 'General case' 0 C--O 1.21 -1.022 0 CA-C-N 115.256 -0.884 . . . . 73.34 110.478 -173.611 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.429 HD21 ' HD1' ' B' ' 106' ' ' TYR . 22.9 tp -66.54 -35.48 80.34 Favored 'General case' 0 N--CA 1.49 1.575 0 N-CA-C 109.091 -0.707 . . . . 71.13 109.091 179.411 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.527 ' HA ' HD11 ' B' ' 105' ' ' LEU . 25.8 t80 -55.88 -43.46 77.21 Favored 'General case' 0 C--O 1.215 -0.745 0 CA-C-N 114.248 -1.342 . . . . 73.21 109.301 172.692 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -69.85 -39.73 76.22 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 124.143 0.902 . . . . 72.33 112.863 175.224 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.4 ' HG2' ' O ' ' A' ' 4' ' ' LYS . 10.9 mm-40 -62.93 -61.5 2.35 Favored 'General case' 0 N--CA 1.491 1.614 0 CA-C-N 118.306 0.503 . . . . 70.54 111.262 -173.208 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.424 HD11 ' HD1' ' B' ' 106' ' ' TYR . 5.0 mt -58.36 -49.6 81.45 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.998 0 O-C-N 123.752 0.657 . . . . 73.33 111.235 177.588 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.582 ' HA ' ' HB3' ' A' ' 13' ' ' ASN . 14.4 tp -68.21 -23.41 64.82 Favored 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 113.062 0.764 . . . . 73.43 113.062 -175.285 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.18 -46.43 80.82 Favored 'General case' 0 N--CA 1.483 1.204 0 CA-C-O 121.252 0.549 . . . . 45.42 109.684 174.502 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.501 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 50.7 tp10 -66.43 -43.58 85.26 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 114.83 -1.077 . . . . 72.35 109.973 174.307 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.582 ' HB3' ' HA ' ' A' ' 10' ' ' LEU . 23.5 t-20 -61.31 -41.39 96.93 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 124.849 1.26 . . . . 73.23 111.859 -176.538 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -66.34 -48.14 71.2 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.208 1.003 . . . . 63.13 109.589 177.47 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 25.9 ttpt -55.37 -43.8 75.43 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 115.15 -0.932 . . . . 74.54 110.274 176.486 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 12' ' ' GLU . 82.7 mt -66.85 -32.24 73.38 Favored 'General case' 0 C--N 1.354 0.801 0 CA-C-N 115.111 -0.95 . . . . 62.12 110.821 -178.715 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.93 -37.71 86.74 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.57 0.748 . . . . 74.34 110.145 176.896 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.56 -55.11 7.42 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 115.001 -1.0 . . . . 65.35 110.819 -176.803 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -66.18 -33.96 76.94 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 115.525 -0.762 . . . . 72.01 112.215 -177.834 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.447 ' HB3' HE22 ' B' ' 119' ' ' GLN . 1.3 pp -66.31 -46.47 76.8 Favored 'General case' 0 N--CA 1.483 1.175 0 N-CA-C 109.482 -0.562 . . . . 73.41 109.482 176.568 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.415 ' O ' ' HG2' ' A' ' 25' ' ' MET . 27.5 t-80 -58.98 -41.48 87.67 Favored 'General case' 0 C--N 1.355 0.825 0 O-C-N 124.333 1.021 . . . . 72.15 108.994 -177.766 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -66.6 -42.12 87.4 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 114.671 -1.149 . . . . 61.02 111.544 -179.38 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.473 HG22 HG22 ' B' ' 123' ' ' THR . 6.9 m -71.28 -31.96 68.11 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 122.824 0.45 . . . . 70.11 110.567 179.777 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.416 ' OD1' HG21 ' B' ' 123' ' ' THR . 3.0 m120 -73.94 -39.49 63.73 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.153 0.581 . . . . 75.13 110.089 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.415 ' HG2' ' O ' ' A' ' 21' ' ' HIS . 26.5 mmt -62.23 -52.59 63.15 Favored 'General case' 0 C--N 1.35 0.607 0 C-N-CA 122.688 0.395 . . . . 72.45 110.779 177.386 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -70.46 -21.19 62.82 Favored 'General case' 0 C--O 1.214 -0.781 0 CA-C-O 119.256 -0.402 . . . . 73.24 111.658 -179.543 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.1 tt -64.23 -44.03 93.14 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 109.255 -0.646 . . . . 71.11 109.255 169.075 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 25.6 m -62.13 -47.02 86.42 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.259 0.624 . . . . 64.55 110.526 178.548 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.53 ' O ' ' HG2' ' A' ' 33' ' ' GLN . 16.6 m-20 -59.1 -52.85 63.97 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 115.4 -0.818 . . . . 75.31 110.106 176.558 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -58.62 -50.38 74.06 Favored 'General case' 0 C--N 1.355 0.823 0 O-C-N 124.096 0.873 . . . . 73.2 111.392 -175.035 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.417 ' HE2' ' HB2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -66.82 -33.93 76.69 Favored 'General case' 0 N--CA 1.48 1.067 0 O-C-N 123.585 0.553 . . . . 71.34 111.335 -175.456 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.4 tt -63.86 -58.47 6.71 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.743 0.817 . . . . 61.44 110.184 -179.538 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.53 ' HG2' ' O ' ' A' ' 29' ' ' ASP . 3.9 pt20 -66.21 -37.6 85.96 Favored 'General case' 0 C--O 1.251 1.169 0 CA-C-N 115.94 -0.573 . . . . 75.5 110.799 -178.238 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.5 tm? . . . . . 0 C--N 1.351 0.648 0 C-N-CA 124.462 1.105 . . . . 75.53 109.689 -177.979 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 102' ' ' PHE . . . . . . . . . . . . . 62.9 t80 . . . . . 0 C--O 1.243 0.757 0 N-CA-C 111.695 0.258 . . . . 70.01 111.695 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 103' ' ' LYS . . . . . 0.434 ' H ' ' HD2' ' B' ' 103' ' ' LYS . 0.0 OUTLIER -66.49 -45.29 80.12 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-O 120.988 0.423 . . . . 73.21 109.95 179.327 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 104' ' ' LYS . . . . . 0.472 ' O ' ' HG2' ' B' ' 108' ' ' GLN . 0.0 OUTLIER -72.34 -33.99 67.71 Favored 'General case' 0 C--O 1.215 -0.724 0 CA-C-N 115.375 -0.83 . . . . 64.23 109.869 -176.587 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 105' ' ' LEU . . . . . 0.527 HD11 ' HA ' ' A' ' 6' ' ' TYR . 2.3 tp -53.54 -54.03 43.14 Favored 'General case' 0 C--O 1.252 1.231 0 C-N-CA 123.603 0.761 . . . . 72.41 109.653 175.761 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 106' ' ' TYR . . . . . 0.429 ' HD1' HD21 ' A' ' 5' ' ' LEU . 17.1 t80 -60.23 -40.21 89.37 Favored 'General case' 0 C--O 1.212 -0.871 0 O-C-N 124.335 1.022 . . . . 74.2 109.25 -177.843 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -63.76 -44.42 93.5 Favored 'General case' 0 C--O 1.219 -0.523 0 N-CA-C 112.321 0.489 . . . . 70.54 112.321 178.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 108' ' ' GLN . . . . . 0.472 ' HG2' ' O ' ' B' ' 104' ' ' LYS . 10.2 mm-40 -68.36 -66.2 0.6 Allowed 'General case' 0 N--CA 1.483 1.204 0 CA-C-N 117.957 0.344 . . . . 71.51 110.852 -173.63 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 16.8 mt -68.66 -37.79 78.07 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.157 0 CA-C-O 119.069 -0.491 . . . . 74.35 111.391 -172.674 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -71.48 -36.49 71.16 Favored 'General case' 0 N--CA 1.5 2.031 0 CA-C-N 118.481 0.582 . . . . 74.41 111.014 -178.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -61.62 -42.12 98.45 Favored 'General case' 0 N--CA 1.485 1.324 0 CA-C-N 118.241 0.473 . . . . 64.54 110.028 175.515 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 112' ' ' GLU . . . . . 0.526 ' O ' ' HG ' ' B' ' 116' ' ' LEU . 25.0 tp10 -67.47 -40.01 85.3 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 115.112 -0.949 . . . . 75.13 110.629 177.196 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -66.08 -36.53 83.44 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 124.691 1.196 . . . . 71.33 110.579 -176.638 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -65.41 -47.15 77.26 Favored 'General case' 0 C--O 1.24 0.578 0 CA-C-N 114.258 -1.337 . . . . 54.14 109.912 174.507 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 9.7 ttpt -57.78 -38.87 76.21 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 115.612 -0.722 . . . . 71.32 110.113 175.356 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 116' ' ' LEU . . . . . 0.526 ' HG ' ' O ' ' B' ' 112' ' ' GLU . 98.3 mt -67.87 -33.46 74.79 Favored 'General case' 0 C--N 1.359 1.001 0 C-N-CA 123.582 0.753 . . . . 74.33 111.326 179.655 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -64.45 -43.61 93.72 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 123.461 0.704 . . . . 65.41 110.669 176.773 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -75.57 -41.32 55.02 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 114.816 -1.084 . . . . 72.2 111.166 -174.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 119' ' ' GLN . . . . . 0.447 HE22 ' HB3' ' A' ' 20' ' ' LEU . 5.4 pp0? -69.98 -37.94 75.88 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 116.535 -0.302 . . . . 73.32 110.784 -178.683 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.13 -44.34 80.09 Favored 'General case' 0 C--N 1.363 1.175 0 N-CA-C 109.406 -0.59 . . . . 62.51 109.406 -178.64 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 121' ' ' HIS . . . . . 0.483 ' O ' ' HG3' ' B' ' 125' ' ' MET . 55.8 t60 -61.26 -44.24 97.56 Favored 'General case' 0 C--N 1.356 0.874 0 O-C-N 124.17 0.919 . . . . 73.23 109.256 -179.758 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 122' ' ' ASP . . . . . 0.454 ' O ' ' HG3' ' B' ' 126' ' ' GLU . 19.9 t70 -61.66 -44.35 97.14 Favored 'General case' 0 N--CA 1.477 0.921 0 O-C-N 124.466 1.104 . . . . 70.14 111.161 178.054 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 123' ' ' THR . . . . . 0.473 HG22 HG22 ' A' ' 23' ' ' THR . 70.4 m -64.3 -35.35 80.56 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.758 0.823 . . . . 60.21 110.528 179.313 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 124' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -67.09 -38.75 86.23 Favored 'General case' 0 C--O 1.22 -0.462 0 CA-C-N 115.428 -0.805 . . . . 65.43 109.7 176.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 125' ' ' MET . . . . . 0.483 ' HG3' ' O ' ' B' ' 121' ' ' HIS . 32.5 mtm -62.37 -37.78 87.05 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.04 0.536 . . . . 74.55 111.771 174.123 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 126' ' ' GLU . . . . . 0.454 ' HG3' ' O ' ' B' ' 122' ' ' ASP . 22.8 mt-10 -68.56 -40.59 80.53 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-O 121.143 0.497 . . . . 53.54 109.937 177.385 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 127' ' ' LEU . . . . . 0.417 HD22 HG23 ' A' ' 23' ' ' THR . 42.4 tp -65.79 -35.94 82.12 Favored 'General case' 0 CA--C 1.551 0.982 0 CA-C-N 115.52 -0.763 . . . . 72.13 110.65 177.083 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 128' ' ' THR . . . . . 0.4 ' HA ' ' HB3' ' B' ' 131' ' ' LYS . 15.0 m -76.4 -24.36 54.07 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.562 0.745 . . . . 33.44 110.225 177.614 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 129' ' ' ASP . . . . . 0.44 ' O ' ' HG3' ' B' ' 133' ' ' GLN . 16.0 t70 -68.25 -48.55 64.77 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.648 0.779 . . . . 74.14 109.995 174.057 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 130' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' B' ' 126' ' ' GLU . 63.4 mt -64.54 -36.67 84.97 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.833 0.853 . . . . 74.15 110.761 178.29 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 131' ' ' LYS . . . . . 0.4 ' HB3' ' HA ' ' B' ' 128' ' ' THR . 24.0 tptp -58.47 -47.66 83.32 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.311 1.444 . . . . 75.11 110.582 172.203 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 50.1 tp -68.25 -38.71 82.08 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.313 0.645 . . . . 75.33 110.915 -179.449 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 133' ' ' GLN . . . . . 0.44 ' HG3' ' O ' ' B' ' 129' ' ' ASP . 57.0 mt-30 -71.05 -27.79 63.9 Favored 'General case' 0 C--O 1.218 -0.577 0 CA-C-N 116.312 -0.404 . . . . 74.21 110.807 179.532 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 11.5 tp . . . . . 0 N--CA 1.478 0.972 0 C-N-CA 123.151 0.58 . . . . 65.24 111.209 -175.433 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.149 0 CA-C-O 120.905 0.383 . . . . 72.53 110.022 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.44 ' O ' ' HG2' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -78.37 -30.56 48.02 Favored 'General case' 0 C--O 1.21 -1.008 0 N-CA-C 109.073 -0.714 . . . . 71.31 109.073 179.391 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 43.3 tp -53.22 -45.27 68.61 Favored 'General case' 0 N--CA 1.493 1.721 0 C-N-CA 123.139 0.576 . . . . 73.42 110.208 175.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.451 ' HA ' HD13 ' B' ' 105' ' ' LEU . 20.0 t80 -54.53 -52.13 63.0 Favored 'General case' 0 C--N 1.349 0.574 0 O-C-N 124.835 1.334 . . . . 61.34 109.797 175.016 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -62.49 -34.19 76.36 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 124.567 1.167 . . . . 64.31 113.393 -177.763 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.44 ' HG2' ' O ' ' A' ' 4' ' ' LYS . 12.9 mm-40 -67.24 -56.9 7.91 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 122.804 0.442 . . . . 70.41 110.657 -176.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.423 ' H ' HG13 ' A' ' 9' ' ' ILE . 2.3 mt -60.41 -46.16 95.59 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.905 0 O-C-N 123.85 0.719 . . . . 73.23 110.769 177.198 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.04 -31.78 72.53 Favored 'General case' 0 N--CA 1.493 1.69 0 C-N-CA 124.497 1.119 . . . . 45.41 111.495 -173.801 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.11 -39.19 72.23 Favored 'General case' 0 N--CA 1.483 1.19 0 N-CA-C 109.756 -0.461 . . . . 71.25 109.756 176.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.442 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 30.6 tp10 -72.52 -29.63 63.77 Favored 'General case' 0 CA--C 1.547 0.865 0 CA-C-N 115.697 -0.683 . . . . 53.24 110.573 175.016 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -74.49 -40.56 61.74 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 124.475 1.11 . . . . 73.13 109.622 -178.08 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -62.23 -46.44 88.86 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.818 1.247 . . . . 54.43 109.458 171.642 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.3 ttpt -56.51 -46.03 80.75 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 124.284 0.99 . . . . 72.53 110.205 178.585 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.485 ' HB3' ' HB3' ' B' ' 116' ' ' LEU . 89.2 mt -66.96 -30.88 71.13 Favored 'General case' 0 N--CA 1.48 1.056 0 O-C-N 124.127 0.892 . . . . 72.01 111.596 -179.08 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.587 ' HA ' HD23 ' A' ' 20' ' ' LEU . 0.3 OUTLIER -69.96 -35.09 74.2 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 123.428 0.691 . . . . 74.41 109.618 174.398 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.64 -53.95 9.27 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.39 0.676 . . . . 73.5 110.313 -175.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -67.32 -27.84 67.49 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 123.701 0.801 . . . . 75.32 112.15 -178.43 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.587 HD23 ' HA ' ' A' ' 17' ' ' LYS . 0.4 OUTLIER -65.58 -44.71 85.82 Favored 'General case' 0 N--CA 1.481 1.107 0 N-CA-C 108.754 -0.832 . . . . 65.11 108.754 171.615 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -59.07 -38.41 79.37 Favored 'General case' 0 C--N 1.358 0.959 0 O-C-N 123.638 0.586 . . . . 71.52 110.446 -179.122 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -62.71 -54.82 33.52 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 123.764 0.665 . . . . 71.32 110.54 174.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.446 ' HA ' ' HG2' ' A' ' 26' ' ' GLU . 7.2 m -67.05 -28.52 68.28 Favored 'General case' 0 N--CA 1.482 1.131 0 O-C-N 123.643 0.59 . . . . 75.32 112.064 -175.096 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -75.18 -48.9 21.33 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.566 0.746 . . . . 54.22 110.212 -178.411 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 9.8 mmt -62.9 -44.56 95.76 Favored 'General case' 0 C--N 1.351 0.648 0 CA-C-N 115.757 -0.656 . . . . 74.21 111.123 178.308 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.446 ' HG2' ' HA ' ' A' ' 23' ' ' THR . 11.8 pt-20 -75.8 -28.03 58.19 Favored 'General case' 0 C--O 1.205 -1.242 0 CA-C-O 118.605 -0.712 . . . . 74.14 110.814 -176.727 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 63.4 tp -61.06 -48.65 80.77 Favored 'General case' 0 C--N 1.359 1.0 0 CA-C-N 118.461 0.573 . . . . 64.22 110.181 170.371 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 24.1 m -64.17 -38.9 92.7 Favored 'General case' 0 CA--C 1.546 0.819 0 O-C-N 123.818 0.699 . . . . 75.11 110.499 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.42 ' O ' ' HG2' ' A' ' 33' ' ' GLN . 16.7 t70 -65.65 -45.74 81.86 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.581 1.152 . . . . 65.31 110.498 177.236 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.496 ' HG ' HD12 ' B' ' 130' ' ' LEU . 15.0 tp -71.21 -36.01 71.74 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.35 1.06 . . . . 64.4 109.984 -173.283 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.49 -28.94 37.39 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.599 0.76 . . . . 72.4 109.965 -177.862 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.2 tt -65.97 -52.71 47.2 Favored 'General case' 0 C--N 1.345 0.386 0 C-N-CA 123.622 0.769 . . . . 62.11 109.017 178.121 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.42 ' HG2' ' O ' ' A' ' 29' ' ' ASP . 2.8 pt20 -69.34 -32.62 71.83 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-N 115.969 -0.559 . . . . 73.13 110.683 178.42 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 19.7 tp . . . . . 0 N--CA 1.49 1.561 0 O-C-N 123.981 0.801 . . . . 72.41 110.356 176.076 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 102' ' ' PHE . . . . . 0.505 ' O ' ' HG ' ' B' ' 105' ' ' LEU . 94.8 m-85 . . . . . 0 N--CA 1.476 0.827 0 CA-C-O 121.09 0.472 . . . . 65.43 112.239 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 103' ' ' LYS . . . . . 0.443 ' HD2' ' H ' ' B' ' 103' ' ' LYS . 0.0 OUTLIER -59.84 -32.28 70.53 Favored 'General case' 0 N--CA 1.479 1.025 0 CA-C-O 121.45 0.643 . . . . 54.21 109.939 178.284 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 104' ' ' LYS . . . . . 0.452 ' O ' ' HG2' ' B' ' 108' ' ' GLN . 0.0 OUTLIER -76.98 -27.73 54.85 Favored 'General case' 0 C--O 1.209 -1.029 0 CA-C-N 114.949 -1.023 . . . . 74.42 109.652 -179.462 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 105' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' B' ' 102' ' ' PHE . 0.6 OUTLIER -61.29 -39.55 90.85 Favored 'General case' 0 C--N 1.378 1.838 0 N-CA-C 107.77 -1.196 . . . . 40.21 107.77 175.036 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 106' ' ' TYR . . . . . 0.446 ' O ' ' HB2' ' B' ' 110' ' ' LEU . 32.9 t80 -55.93 -52.6 63.57 Favored 'General case' 0 C--N 1.368 1.41 0 O-C-N 124.662 1.226 . . . . 74.34 108.887 174.208 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -59.53 -39.11 82.87 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.011 0.924 . . . . 75.54 113.038 -178.374 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 108' ' ' GLN . . . . . 0.452 ' HG2' ' O ' ' B' ' 104' ' ' LYS . 8.7 mm-40 -66.84 -61.59 1.88 Allowed 'General case' 0 N--CA 1.483 1.215 0 CA-C-O 120.815 0.341 . . . . 75.03 110.566 -176.025 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 11.7 mt -68.77 -34.49 65.0 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.901 0 CA-C-N 115.293 -0.867 . . . . 64.21 110.903 -173.532 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 110' ' ' LEU . . . . . 0.446 ' HB2' ' O ' ' B' ' 106' ' ' TYR . 0.6 OUTLIER -69.4 -36.57 76.87 Favored 'General case' 0 N--CA 1.492 1.638 0 C-N-CA 123.849 0.86 . . . . 74.55 110.377 179.443 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.72 -41.81 95.69 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 122.736 0.414 . . . . 71.22 110.429 174.625 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -67.9 -36.51 80.34 Favored 'General case' 0 CA--C 1.559 1.292 0 CA-C-N 115.559 -0.746 . . . . 65.42 110.274 175.817 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -70.94 -35.9 72.4 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 125.045 1.338 . . . . 73.12 109.892 -177.743 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -61.66 -50.57 71.98 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.623 1.169 . . . . 74.52 109.271 173.83 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 15.7 ttpt -57.43 -46.08 83.95 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 124.597 1.186 . . . . 75.13 110.143 179.785 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 116' ' ' LEU . . . . . 0.485 ' HB3' ' HB3' ' A' ' 16' ' ' LEU . 93.5 mt -67.85 -29.11 68.16 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 115.594 -0.73 . . . . 65.15 111.694 -178.807 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 117' ' ' LYS . . . . . 0.548 ' HA ' HD23 ' B' ' 120' ' ' LEU . 0.2 OUTLIER -71.51 -38.81 71.08 Favored 'General case' 0 CA--C 1.555 1.136 0 N-CA-C 108.716 -0.846 . . . . 74.44 108.716 176.106 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -73.04 -44.59 60.56 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.256 1.022 . . . . 71.03 111.575 -175.055 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 119' ' ' GLN . . . . . 0.435 HE22 ' HB3' ' A' ' 20' ' ' LEU . 5.0 pp0? -72.06 -36.09 69.48 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 115.664 -0.698 . . . . 73.15 111.029 -177.261 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 120' ' ' LEU . . . . . 0.548 HD23 ' HA ' ' B' ' 117' ' ' LYS . 0.5 OUTLIER -64.27 -41.96 96.67 Favored 'General case' 0 C--N 1.362 1.15 0 N-CA-C 109.483 -0.562 . . . . 63.54 109.483 175.705 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 9.8 t-80 -52.73 -48.38 66.74 Favored 'General case' 0 C--N 1.36 1.024 0 O-C-N 124.178 0.924 . . . . 73.55 109.991 176.116 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 122' ' ' ASP . . . . . 0.472 ' O ' ' HG2' ' B' ' 126' ' ' GLU . 76.4 m-20 -63.41 -48.78 76.38 Favored 'General case' 0 CA--C 1.537 0.447 0 O-C-N 124.309 1.006 . . . . 71.41 111.42 -179.631 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 123' ' ' THR . . . . . 0.405 HG22 HG22 ' A' ' 23' ' ' THR . 10.2 m -67.54 -28.5 67.86 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.375 0.67 . . . . 74.2 111.528 -176.665 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 124' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -74.78 -36.02 62.54 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.089 0.556 . . . . 64.24 109.773 176.061 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 125' ' ' MET . . . . . . . . . . . . . 92.4 mmm -68.22 -32.88 73.39 Favored 'General case' 0 C--N 1.358 0.96 0 C-N-CA 123.131 0.573 . . . . 73.41 111.325 172.167 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 126' ' ' GLU . . . . . 0.472 ' HG2' ' O ' ' B' ' 122' ' ' ASP . 23.3 mm-40 -64.06 -40.91 97.3 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 109.568 -0.53 . . . . 74.01 109.568 173.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 9.2 tt -73.3 -30.87 63.69 Favored 'General case' 0 CA--C 1.553 1.061 0 O-C-N 124.247 0.967 . . . . 63.35 110.625 179.275 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 128' ' ' THR . . . . . . . . . . . . . 87.0 m -67.23 -48.28 68.26 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-O 121.635 0.731 . . . . 54.35 109.822 175.85 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 129' ' ' ASP . . . . . 0.435 ' O ' ' HG3' ' B' ' 133' ' ' GLN . 25.1 t70 -61.74 -36.13 80.11 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 114.532 -1.213 . . . . 75.14 109.94 175.296 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 130' ' ' LEU . . . . . 0.496 HD12 ' HG ' ' A' ' 30' ' ' LEU . 0.3 OUTLIER -65.95 -51.94 54.14 Favored 'General case' 0 C--N 1.342 0.272 0 CA-C-N 115.509 -0.769 . . . . 74.14 110.517 -176.96 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.61 -25.47 65.77 Favored 'General case' 0 CA--C 1.551 0.99 0 O-C-N 123.485 0.491 . . . . 60.31 110.689 -176.468 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 57.1 tp -66.09 -52.74 45.98 Favored 'General case' 0 CA--C 1.559 1.31 0 CA-C-N 115.878 -0.601 . . . . 73.4 109.937 170.736 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 133' ' ' GLN . . . . . 0.435 ' HG3' ' O ' ' B' ' 129' ' ' ASP . 58.1 mt-30 -58.27 -32.83 68.76 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 123.304 0.642 . . . . 61.33 110.982 174.399 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 10.9 tp . . . . . 0 N--CA 1.47 0.535 0 C-N-CA 124.798 1.239 . . . . 65.32 109.812 -171.6 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 . . . . . 0 N--CA 1.479 0.992 0 CA-C-O 119.512 -0.28 . . . . 61.15 111.565 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.515 ' HD1' HD22 ' A' ' 5' ' ' LEU . 49.8 m-85 -55.33 -12.82 1.14 Allowed 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 115.983 1.846 . . . . 71.32 115.983 -172.561 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.468 ' HD3' ' H ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -67.28 -35.23 79.06 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 118.617 0.644 . . . . 71.32 109.948 178.724 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.468 ' H ' ' HD3' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -72.8 -35.44 67.36 Favored 'General case' 0 C--O 1.209 -1.078 0 CA-C-O 118.464 -0.779 . . . . 63.14 109.825 175.205 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.515 HD22 ' HD1' ' A' ' 2' ' ' PHE . 15.1 tp -50.06 -49.19 52.06 Favored 'General case' 0 N--CA 1.492 1.637 0 C-N-CA 123.464 0.706 . . . . 72.21 110.355 -178.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 27.4 t80 -57.04 -55.7 31.3 Favored 'General case' 0 C--N 1.35 0.615 0 CA-C-N 113.771 -1.559 . . . . 74.23 110.694 174.623 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.5 mm-40 -63.75 -30.63 71.7 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 113.389 0.885 . . . . 63.41 113.389 -173.274 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.468 ' HG2' ' O ' ' A' ' 4' ' ' LYS . 7.3 mm-40 -69.02 -59.22 3.19 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 109.74 -0.467 . . . . 65.53 109.74 -176.295 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.528 HD11 ' CD1' ' B' ' 106' ' ' TYR . 9.9 mt -62.58 -41.8 93.48 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.078 0 C-N-CA 120.685 -0.406 . . . . 63.31 111.57 176.804 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.81 -33.85 76.52 Favored 'General case' 0 N--CA 1.492 1.657 0 C-N-CA 123.576 0.75 . . . . 63.4 111.382 -175.553 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.22 -37.32 80.72 Favored 'General case' 0 N--CA 1.481 1.121 0 N-CA-C 109.915 -0.402 . . . . 72.04 109.915 176.554 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -70.56 -36.57 73.71 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-N 115.972 -0.558 . . . . 74.03 109.711 175.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -65.2 -36.01 82.85 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 125.625 1.57 . . . . 74.23 109.66 178.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -65.03 -51.49 61.31 Favored 'General case' 0 C--N 1.353 0.722 0 C-N-CA 125.37 1.468 . . . . 71.11 110.243 174.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.7 ttpt -55.85 -47.56 77.06 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 124.141 0.9 . . . . 70.2 109.495 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.406 ' HB3' ' HB3' ' B' ' 116' ' ' LEU . 84.5 mt -61.42 -35.78 78.51 Favored 'General case' 0 C--N 1.352 0.715 0 O-C-N 124.846 1.341 . . . . 64.34 111.804 178.482 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.481 ' HA ' HD23 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -66.0 -39.98 90.76 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 123.11 0.564 . . . . 70.01 110.491 178.192 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.29 -57.98 3.96 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 115.45 -0.795 . . . . 54.3 110.204 -175.337 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.12 -33.34 73.22 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.772 0.829 . . . . 63.44 112.503 -177.185 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.481 HD23 ' HA ' ' A' ' 17' ' ' LYS . 0.8 OUTLIER -65.85 -44.55 85.13 Favored 'General case' 0 C--N 1.36 1.023 0 N-CA-C 108.958 -0.756 . . . . 64.43 108.958 177.244 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.473 ' O ' ' HG3' ' A' ' 25' ' ' MET . 31.9 t60 -59.25 -43.39 92.44 Favored 'General case' 0 C--N 1.361 1.086 0 O-C-N 124.169 0.918 . . . . 72.34 109.794 -178.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -62.65 -40.92 98.57 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 124.133 0.896 . . . . 73.43 111.264 176.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.506 ' HA ' ' HG2' ' A' ' 26' ' ' GLU . 30.3 m -70.02 -28.72 65.71 Favored 'General case' 0 C--N 1.356 0.87 0 O-C-N 123.622 0.576 . . . . 54.41 110.904 178.57 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -70.14 -52.59 22.36 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.277 0.631 . . . . 71.44 109.902 177.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.473 ' HG3' ' O ' ' A' ' 21' ' ' HIS . 37.4 mtp -62.96 -39.52 94.91 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.437 0.695 . . . . 73.44 112.452 179.357 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.506 ' HG2' ' HA ' ' A' ' 23' ' ' THR . 13.5 pt-20 -78.25 -24.32 46.94 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-O 119.424 -0.322 . . . . 74.5 110.37 -179.536 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.44 ' O ' ' HB3' ' A' ' 31' ' ' LYS . 41.8 tp -70.94 -40.85 71.82 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 109.451 -0.574 . . . . 63.13 109.451 171.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 71.2 m -67.31 -33.52 75.46 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 123.436 0.694 . . . . 61.14 110.151 177.268 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -62.57 -60.8 3.01 Favored 'General case' 0 C--N 1.357 0.93 0 N-CA-C 109.03 -0.73 . . . . 75.14 109.03 171.395 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.508 ' HA ' HE21 ' A' ' 33' ' ' GLN . 2.7 mm? -52.58 -44.0 65.63 Favored 'General case' 0 C--N 1.363 1.165 0 O-C-N 124.984 1.428 . . . . 74.41 111.421 -176.247 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.44 ' HB3' ' O ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -63.49 -51.37 65.88 Favored 'General case' 0 C--O 1.25 1.087 0 C-N-CA 125.185 1.394 . . . . 74.5 110.164 -178.512 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 66.8 tp -56.34 -64.46 0.86 Allowed 'General case' 0 C--N 1.351 0.642 0 O-C-N 124.717 1.26 . . . . 53.41 110.258 -176.338 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.508 HE21 ' HA ' ' A' ' 30' ' ' LEU . 1.3 pt20 -60.45 -39.35 87.22 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.799 0.84 . . . . 73.2 112.455 -177.774 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.529 HD23 HD22 ' B' ' 134' ' ' LEU . 1.3 tm? -52.69 -61.1 2.5 Favored 'General case' 0 N--CA 1.485 1.289 0 CA-C-O 118.713 -0.66 . . . . 74.43 110.362 -175.322 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -69.3 -26.06 64.55 Favored 'General case' 0 C--N 1.354 0.773 0 O-C-N 126.367 2.292 . . . . 74.11 111.767 -176.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -65.17 -13.74 58.9 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 123.199 0.599 . . . . 74.43 110.773 168.34 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 82.39 61.1 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 126.117 1.767 . . . . 55.22 108.175 174.047 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.464 HG22 ' HA ' ' A' ' 34' ' ' LEU . 9.6 t -70.81 174.67 5.76 Favored 'General case' 0 N--CA 1.495 1.809 0 CA-C-N 113.049 -1.887 . . . . 75.13 113.24 -174.48 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -118.18 -50.26 2.47 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 124.153 0.981 . . . . 54.55 110.14 171.241 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -143.3 154.06 43.4 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.965 0.906 . . . . 52.01 110.408 -172.27 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.402 ' HB3' ' OE1' ' A' ' 33' ' ' GLN . 4.5 pm0 -136.92 166.77 22.85 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 124.211 1.005 . . . . 42.44 109.892 173.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -106.87 -32.63 7.84 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.632 0.773 . . . . 75.54 110.447 178.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 72.1 mtp180 59.4 -79.6 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 125.314 1.446 . . . . 61.2 112.026 -178.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 89.8 t80 . . . . . 0 N--CA 1.473 0.676 0 C-N-CA 124.807 1.243 . . . . 74.32 109.089 176.761 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 . . . . . 0 CA--C 1.539 0.543 0 CA-C-O 121.059 0.457 . . . . 60.34 110.578 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 102' ' ' PHE . . . . . 0.459 ' O ' ' HG ' ' B' ' 105' ' ' LEU . 91.6 m-85 -106.02 -17.85 14.21 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 124.233 1.013 . . . . 73.03 110.344 177.237 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 103' ' ' LYS . . . . . 0.502 ' HD3' ' N ' ' B' ' 104' ' ' LYS . 0.0 OUTLIER -57.73 -31.83 66.84 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 123.297 0.639 . . . . 74.32 110.011 178.075 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 104' ' ' LYS . . . . . 0.502 ' N ' ' HD3' ' B' ' 103' ' ' LYS . 0.0 OUTLIER -75.09 -36.88 61.68 Favored 'General case' 0 C--O 1.214 -0.815 0 CA-C-N 114.127 -1.397 . . . . 61.53 110.141 -177.891 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 105' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' B' ' 102' ' ' PHE . 0.7 OUTLIER -61.47 -40.98 96.49 Favored 'General case' 0 C--N 1.375 1.674 0 N-CA-C 108.266 -1.012 . . . . 74.42 108.266 -179.879 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 106' ' ' TYR . . . . . 0.528 ' CD1' HD11 ' A' ' 9' ' ' ILE . 40.6 t80 -56.46 -50.98 70.14 Favored 'General case' 0 C--N 1.37 1.461 0 CA-C-N 114.769 -1.105 . . . . 73.14 109.355 174.838 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -63.24 -40.06 96.38 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.119 0.968 . . . . 71.21 112.97 -177.273 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 108' ' ' GLN . . . . . 0.478 ' HG2' ' O ' ' B' ' 104' ' ' LYS . 11.2 mm-40 -68.53 -56.82 7.04 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 122.661 0.384 . . . . 72.12 110.545 -174.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 17.5 mt -67.17 -38.25 80.75 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.848 0 CA-C-N 115.647 -0.706 . . . . 72.5 110.86 -175.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -69.19 -38.09 78.47 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 123.488 0.715 . . . . 64.41 110.513 -179.089 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -61.42 -43.73 98.37 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 122.664 0.386 . . . . 71.35 110.318 175.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 112' ' ' GLU . . . . . 0.434 ' O ' ' HG ' ' B' ' 116' ' ' LEU . 42.7 tp10 -66.6 -40.09 88.69 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 114.9 -1.046 . . . . 71.51 110.746 175.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -65.55 -41.32 93.15 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 125.096 1.358 . . . . 73.14 110.711 -176.157 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -59.9 -50.27 74.45 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.456 1.102 . . . . 73.12 109.927 172.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 23.6 ttpt -58.14 -38.74 77.14 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 114.945 -1.025 . . . . 54.13 110.613 178.442 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 116' ' ' LEU . . . . . 0.45 ' HA ' ' HG3' ' B' ' 119' ' ' GLN . 89.6 mt -69.05 -31.07 69.58 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.539 0.736 . . . . 73.02 111.241 -178.461 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 117' ' ' LYS . . . . . 0.539 ' HA ' HD23 ' B' ' 120' ' ' LEU . 0.3 OUTLIER -68.28 -39.48 82.1 Favored 'General case' 0 CA--C 1.557 1.248 0 C-N-CA 123.736 0.814 . . . . 54.12 109.123 175.183 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -75.41 -44.12 46.33 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.593 0.757 . . . . 74.43 111.497 -176.508 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 119' ' ' GLN . . . . . 0.45 ' HG3' ' HA ' ' B' ' 116' ' ' LEU . 0.0 OUTLIER -70.63 -36.06 73.25 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.353 0.661 . . . . 64.34 110.564 -176.171 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 120' ' ' LEU . . . . . 0.539 HD23 ' HA ' ' B' ' 117' ' ' LYS . 0.7 OUTLIER -63.5 -45.88 88.63 Favored 'General case' 0 C--N 1.36 1.063 0 N-CA-C 108.238 -1.023 . . . . 75.41 108.238 176.289 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 121' ' ' HIS . . . . . 0.508 ' O ' ' HG2' ' B' ' 125' ' ' MET . 23.9 t-80 -59.9 -38.72 83.08 Favored 'General case' 0 C--N 1.362 1.11 0 O-C-N 124.248 0.967 . . . . 73.32 110.447 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 122' ' ' ASP . . . . . 0.446 ' O ' ' HG3' ' B' ' 126' ' ' GLU . 38.6 t70 -64.83 -45.53 85.77 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.043 0.937 . . . . 73.14 110.383 179.624 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 123' ' ' THR . . . . . 0.492 HG22 HG22 ' A' ' 23' ' ' THR . 18.4 m -69.18 -28.36 66.34 Favored 'General case' 0 CA--C 1.557 1.214 0 C-N-CA 124.237 1.015 . . . . 71.22 110.758 177.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 124' ' ' ASN . . . . . 0.406 ' OD1' HG21 ' A' ' 23' ' ' THR . 4.2 m-20 -72.04 -39.16 69.29 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.711 0.804 . . . . 75.44 110.506 175.678 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 125' ' ' MET . . . . . 0.508 ' HG2' ' O ' ' B' ' 121' ' ' HIS . 90.1 mmm -63.42 -38.67 92.03 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.104 0.562 . . . . 74.23 111.044 178.127 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 126' ' ' GLU . . . . . 0.446 ' HG3' ' O ' ' B' ' 122' ' ' ASP . 24.2 mt-10 -63.66 -46.95 83.28 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 109.314 -0.625 . . . . 74.41 109.314 173.769 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 127' ' ' LEU . . . . . 0.448 HD22 HG23 ' A' ' 23' ' ' THR . 44.4 tp -61.31 -31.28 71.13 Favored 'General case' 0 CA--C 1.557 1.219 0 C-N-CA 123.96 0.904 . . . . 71.01 111.576 179.122 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 128' ' ' THR . . . . . 0.529 ' HA ' ' HG3' ' B' ' 131' ' ' LYS . 62.5 m -78.85 -33.75 45.62 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 123.728 0.811 . . . . 73.35 110.221 179.111 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 129' ' ' ASP . . . . . 0.434 ' O ' ' HG3' ' B' ' 133' ' ' GLN . 19.3 t70 -63.52 -39.61 94.87 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.335 0.654 . . . . 72.44 109.267 171.27 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -73.54 -34.77 65.37 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.809 0.843 . . . . 75.45 112.648 -176.571 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 131' ' ' LYS . . . . . 0.529 ' HG3' ' HA ' ' B' ' 128' ' ' THR . 0.1 OUTLIER -74.34 -28.34 61.09 Favored 'General case' 0 N--CA 1.49 1.535 0 CA-C-N 118.432 0.56 . . . . 72.54 110.366 175.951 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 51.3 tp -68.77 -51.4 41.58 Favored 'General case' 0 C--N 1.352 0.691 0 O-C-N 123.837 0.711 . . . . 73.41 110.16 175.043 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 133' ' ' GLN . . . . . 0.434 ' HG3' ' O ' ' B' ' 129' ' ' ASP . 67.3 mt-30 -58.92 -32.13 69.28 Favored 'General case' 0 C--N 1.354 0.802 0 C-N-CA 122.933 0.493 . . . . 75.01 110.58 175.72 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 134' ' ' LEU . . . . . 0.529 HD22 HD23 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -59.51 -60.35 3.98 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.238 1.015 . . . . 60.24 109.873 -178.926 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 135' ' ' GLU . . . . . 0.424 ' HB3' ' HD3' ' B' ' 140' ' ' ARG . 10.9 pt-20 -67.45 -14.24 62.75 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-N 115.057 -0.974 . . . . 62.5 111.989 -178.166 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 60.9 mtpt -86.47 -36.62 18.94 Favored 'General case' 0 CA--C 1.555 1.151 0 N-CA-C 112.068 0.395 . . . . 71.31 112.068 170.263 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -72.52 -29.72 63.85 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 123.8 0.84 . . . . 74.43 110.636 -178.136 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 138' ' ' THR . . . . . 0.488 HG23 ' H ' ' B' ' 140' ' ' ARG . 15.4 t -152.33 -171.56 3.97 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 115.006 -0.997 . . . . 74.55 109.178 -172.78 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.45 -30.74 61.99 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.435 0.694 . . . . 74.33 110.433 176.489 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 140' ' ' ARG . . . . . 0.488 ' H ' HG23 ' B' ' 138' ' ' THR . 37.0 ttp180 68.97 162.83 0.22 Allowed 'General case' 0 N--CA 1.492 1.639 0 C-N-CA 125.161 1.385 . . . . 73.22 110.665 -176.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -70.96 136.18 48.31 Favored 'General case' 0 CA--C 1.554 1.113 0 N-CA-C 108.509 -0.923 . . . . 64.41 108.509 170.291 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -108.06 62.78 0.61 Allowed 'General case' 0 N--CA 1.483 1.216 0 CA-C-O 122.01 0.91 . . . . 71.33 110.406 -173.339 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 70.0 mtm180 -74.57 -35.42 63.04 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 114.842 -1.072 . . . . 75.15 110.19 174.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 144' ' ' PHE . . . . . . . . . . . . . 75.9 t80 . . . . . 0 C--O 1.25 1.085 0 C-N-CA 124.459 1.103 . . . . 74.53 108.364 170.808 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 . . . . . 0 N--CA 1.473 0.695 0 CA-C-O 120.406 0.146 . . . . 61.4 110.799 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.48 ' HD1' HD22 ' A' ' 5' ' ' LEU . 40.4 m-85 -72.77 -1.39 16.36 Favored 'General case' 0 N--CA 1.483 1.194 0 N-CA-C 113.703 1.001 . . . . 62.34 113.703 -175.29 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.596 ' HD3' ' H ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -65.02 -35.38 81.01 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.045 0.538 . . . . 64.54 110.247 176.846 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.596 ' H ' ' HD3' ' A' ' 3' ' ' LYS . 1.5 ptmt -81.81 -25.23 35.37 Favored 'General case' 0 C--O 1.213 -0.828 0 CA-C-N 115.31 -0.859 . . . . 70.21 110.802 -179.221 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.48 HD22 ' HD1' ' A' ' 2' ' ' PHE . 14.8 tp -56.33 -47.54 78.56 Favored 'General case' 0 C--O 1.258 1.54 0 CA-C-O 121.882 0.849 . . . . 53.41 109.161 175.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 22.4 t80 -54.24 -57.07 12.57 Favored 'General case' 0 C--N 1.351 0.661 0 CA-C-N 113.023 -1.899 . . . . 75.31 110.148 173.391 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' A' ' 3' ' ' LYS . 60.4 mm-40 -65.52 -32.06 73.46 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 113.948 1.092 . . . . 72.02 113.948 -170.76 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.41 ' HG2' ' O ' ' A' ' 4' ' ' LYS . 4.8 mm-40 -67.11 -52.11 45.91 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 122.668 0.387 . . . . 74.11 111.604 -178.705 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.495 HD11 ' CD1' ' B' ' 106' ' ' TYR . 17.7 mt -65.84 -40.54 87.89 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.925 0 C-N-CA 120.576 -0.45 . . . . 62.54 110.283 173.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.86 -25.68 67.31 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 123.769 0.828 . . . . 72.34 111.077 -177.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.69 -51.14 45.0 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.211 0.604 . . . . 71.01 109.811 175.55 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.461 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 34.4 tp10 -62.26 -34.4 76.48 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 115.393 -0.821 . . . . 75.0 110.077 174.571 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -66.62 -44.89 80.82 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 124.951 1.3 . . . . 53.14 110.787 -177.677 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -61.5 -49.08 78.18 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.785 0.834 . . . . 73.43 109.741 175.198 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 25.2 ttpt -55.85 -45.5 78.45 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 114.825 -1.08 . . . . 75.1 110.519 179.405 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 12' ' ' GLU . 87.4 mt -70.71 -29.38 65.64 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 115.359 -0.837 . . . . 42.3 111.074 -177.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.404 ' HA ' HD23 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -67.32 -37.14 82.83 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 123.713 0.633 . . . . 70.11 110.0 175.616 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.28 -52.99 9.54 Favored 'General case' 0 C--N 1.349 0.558 0 CA-C-N 114.981 -1.009 . . . . 65.43 110.987 -174.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.5 pp0? -67.19 -30.74 70.77 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-O 118.548 -0.739 . . . . 55.33 111.681 -178.15 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 17' ' ' LYS . 0.5 OUTLIER -68.38 -45.92 71.44 Favored 'General case' 0 N--CA 1.485 1.323 0 N-CA-C 109.214 -0.661 . . . . 73.44 109.214 174.792 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 65.1 t60 -56.06 -46.31 78.98 Favored 'General case' 0 N--CA 1.476 0.842 0 O-C-N 124.139 0.9 . . . . 64.35 109.492 178.707 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -64.48 -47.3 79.47 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 114.055 -1.43 . . . . 72.3 110.841 -179.51 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.61 HG22 HG22 ' B' ' 123' ' ' THR . 47.1 m -71.05 -26.5 63.11 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 122.713 0.405 . . . . 74.25 111.214 -177.76 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.403 ' OD1' HG21 ' B' ' 123' ' ' THR . 3.0 m120 -72.69 -41.2 65.58 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 122.641 0.376 . . . . 65.41 110.098 176.815 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 12.3 mmt -68.86 -39.45 79.87 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 122.874 0.47 . . . . 64.12 111.364 -179.427 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.546 ' HG2' ' HA ' ' A' ' 23' ' ' THR . 16.5 pt-20 -79.61 -21.41 44.96 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-O 119.449 -0.31 . . . . 65.23 110.656 179.429 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.7 tt -65.51 -54.4 28.74 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.617 0.767 . . . . 64.11 109.023 169.698 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 18.4 m -58.59 -37.97 76.93 Favored 'General case' 0 C--O 1.248 1.014 0 C-N-CA 123.869 0.868 . . . . 71.25 110.483 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.481 ' O ' ' HG2' ' A' ' 33' ' ' GLN . 15.8 t70 -63.7 -54.1 40.85 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 114.847 -1.069 . . . . 62.34 109.846 175.396 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.513 HD22 HD12 ' B' ' 127' ' ' LEU . 1.6 mp -60.47 -35.91 77.01 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 123.984 0.802 . . . . 60.31 112.081 -172.272 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.445 ' HE2' ' HB2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -78.93 -33.55 45.32 Favored 'General case' 0 N--CA 1.479 1.014 0 O-C-N 123.499 0.5 . . . . 73.32 111.266 -179.682 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 56.6 tp -62.47 -57.13 12.32 Favored 'General case' 0 C--N 1.353 0.728 0 C-N-CA 123.014 0.526 . . . . 63.33 109.609 177.285 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.481 ' HG2' ' O ' ' A' ' 29' ' ' ASP . 8.1 pt20 -63.84 -34.04 77.04 Favored 'General case' 0 CA--C 1.551 1.005 0 CA-C-N 115.619 -0.718 . . . . 74.21 110.893 179.141 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.534 HD13 HD23 ' B' ' 134' ' ' LEU . 24.3 tp -47.31 -60.57 2.41 Favored 'General case' 0 C--N 1.365 1.271 0 C-N-CA 124.226 1.011 . . . . 73.43 110.669 177.631 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -70.87 -24.79 62.57 Favored 'General case' 0 C--N 1.359 1.011 0 O-C-N 126.125 2.141 . . . . 74.22 111.943 -177.151 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -68.56 -9.27 48.38 Favored 'General case' 0 N--CA 1.497 1.917 0 C-N-CA 122.696 0.398 . . . . 64.25 110.733 167.635 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 81.97 57.58 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 126.416 1.886 . . . . 75.14 108.595 171.521 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.446 ' CG2' HD22 ' B' ' 134' ' ' LEU . 5.5 t -84.8 173.7 10.45 Favored 'General case' 0 N--CA 1.484 1.251 0 CA-C-N 113.981 -1.463 . . . . 71.13 112.914 -170.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.446 ' HG3' ' H ' ' A' ' 40' ' ' ARG . 4.0 pt20 -121.52 -62.2 1.44 Allowed 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 113.383 -1.735 . . . . 74.25 108.68 174.037 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.446 ' H ' ' HG3' ' A' ' 39' ' ' GLN . 24.5 ttp180 -101.86 158.59 16.02 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.818 0.847 . . . . 64.32 110.308 -173.638 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.468 ' HB3' HE22 ' A' ' 33' ' ' GLN . 5.0 pm0 -103.42 -99.29 0.3 Allowed 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 123.284 0.634 . . . . 72.12 109.887 169.509 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -174.47 -47.36 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 123.206 0.602 . . . . 72.34 110.206 -172.709 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.6 -39.53 73.72 Favored 'General case' 0 N--CA 1.491 1.62 0 C-N-CA 124.015 0.926 . . . . 75.54 112.091 -171.684 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 50.3 t80 . . . . . 0 N--CA 1.474 0.739 0 CA-C-N 115.002 -0.999 . . . . 72.43 109.138 170.752 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 . . . . . 0 N--CA 1.471 0.583 0 CA-C-O 121.138 0.494 . . . . 61.32 111.559 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 102' ' ' PHE . . . . . 0.544 ' HD2' HD23 ' B' ' 105' ' ' LEU . 94.0 m-85 -95.16 -10.53 30.27 Favored 'General case' 0 C--O 1.247 0.94 0 C-N-CA 123.792 0.837 . . . . 64.15 111.817 177.459 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.13 -38.28 73.23 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-O 121.32 0.581 . . . . 73.43 109.948 175.649 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 104' ' ' LYS . . . . . 0.446 ' O ' ' HG2' ' B' ' 108' ' ' GLN . 0.0 OUTLIER -68.43 -41.44 80.34 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-N 114.831 -1.077 . . . . 75.4 110.463 -179.625 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 105' ' ' LEU . . . . . 0.544 HD23 ' HD2' ' B' ' 102' ' ' PHE . 0.5 OUTLIER -58.69 -44.03 90.14 Favored 'General case' 0 C--N 1.366 1.323 0 N-CA-C 108.991 -0.744 . . . . 60.51 108.991 -176.192 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 106' ' ' TYR . . . . . 0.495 ' CD1' HD11 ' A' ' 9' ' ' ILE . 37.0 t80 -57.62 -51.85 67.82 Favored 'General case' 0 C--N 1.361 1.071 0 O-C-N 124.614 1.196 . . . . 75.43 110.023 178.069 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -65.18 -38.08 89.37 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 113.186 0.81 . . . . 51.25 113.186 -176.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 108' ' ' GLN . . . . . 0.446 ' HG2' ' O ' ' B' ' 104' ' ' LYS . 9.1 mm-40 -66.98 -54.98 16.54 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 122.651 0.38 . . . . 54.52 110.758 -175.608 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 18.0 mt -65.69 -38.34 82.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 CA-C-N 116.446 -0.343 . . . . 72.52 110.443 -179.471 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.73 -31.46 70.54 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.208 0.603 . . . . 74.05 110.51 179.699 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.88 -46.84 80.09 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 122.678 0.391 . . . . 75.31 110.13 175.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 112' ' ' GLU . . . . . 0.49 ' O ' ' HG ' ' B' ' 116' ' ' LEU . 42.4 tp10 -62.52 -44.9 95.22 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.113 0.565 . . . . 72.52 109.852 174.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -66.0 -37.14 85.16 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 124.74 1.216 . . . . 75.23 110.895 -175.042 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -60.73 -48.9 79.71 Favored 'General case' 0 C--O 1.251 1.155 0 C-N-CA 125.019 1.328 . . . . 72.41 109.547 174.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 30.1 ttpt -58.25 -44.17 88.2 Favored 'General case' 0 C--N 1.347 0.457 0 CA-C-N 114.592 -1.185 . . . . 74.23 109.704 175.153 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 116' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' B' ' 112' ' ' GLU . 92.6 mt -61.97 -32.01 72.41 Favored 'General case' 0 C--N 1.355 0.826 0 O-C-N 124.039 0.837 . . . . 75.32 111.44 -175.158 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 117' ' ' LYS . . . . . 0.621 ' HA ' HD23 ' B' ' 120' ' ' LEU . 54.9 mtmt -75.56 -38.79 58.98 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 116.183 -0.462 . . . . 73.15 110.706 177.676 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -72.25 -40.48 67.66 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 122.907 0.483 . . . . 44.31 111.489 -178.629 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.87 -36.93 59.36 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.486 0.714 . . . . 72.3 110.341 -176.468 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 120' ' ' LEU . . . . . 0.621 HD23 ' HA ' ' B' ' 117' ' ' LYS . 0.4 OUTLIER -65.88 -43.23 88.91 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 109.055 -0.72 . . . . 74.25 109.055 176.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 51.0 t-80 -60.98 -40.19 92.49 Favored 'General case' 0 C--N 1.349 0.584 0 O-C-N 124.161 0.913 . . . . 73.35 109.797 -177.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 122' ' ' ASP . . . . . 0.467 ' O ' ' HG3' ' B' ' 126' ' ' GLU . 11.5 t70 -64.06 -48.56 75.78 Favored 'General case' 0 CA--C 1.551 0.982 0 O-C-N 124.324 1.015 . . . . 72.23 109.901 176.402 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 123' ' ' THR . . . . . 0.61 HG22 HG22 ' A' ' 23' ' ' THR . 55.4 m -63.31 -33.47 75.59 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 124.467 1.107 . . . . 70.31 111.417 -179.324 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 124' ' ' ASN . . . . . 0.422 ' OD1' HG21 ' A' ' 23' ' ' THR . 3.4 m-20 -78.4 -32.46 48.77 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.555 0.742 . . . . 75.11 109.748 -177.669 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 125' ' ' MET . . . . . . . . . . . . . 84.0 mmm -65.4 -38.0 88.66 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.22 0.608 . . . . 62.12 111.283 171.383 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 126' ' ' GLU . . . . . 0.467 ' HG3' ' O ' ' B' ' 122' ' ' ASP . 29.9 mt-10 -63.81 -47.52 80.5 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 109.347 -0.612 . . . . 73.04 109.347 174.8 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 127' ' ' LEU . . . . . 0.552 HD22 HG23 ' A' ' 23' ' ' THR . 44.4 tp -58.67 -43.78 90.01 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 124.337 1.055 . . . . 71.12 111.659 178.517 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 128' ' ' THR . . . . . . . . . . . . . 89.3 m -64.62 -38.88 92.51 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.698 0.799 . . . . 64.13 110.299 178.216 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 129' ' ' ASP . . . . . 0.459 ' O ' ' HG3' ' B' ' 133' ' ' GLN . 35.6 t70 -67.85 -36.77 80.91 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 114.828 -1.078 . . . . 52.11 110.375 177.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 130' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' B' ' 126' ' ' GLU . 80.7 mt -68.66 -47.57 66.2 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.559 0.744 . . . . 73.24 110.942 -177.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 131' ' ' LYS . . . . . 0.527 ' O ' ' HG3' ' B' ' 135' ' ' GLU . 0.1 OUTLIER -61.28 -40.39 93.97 Favored 'General case' 0 N--CA 1.483 1.189 0 N-CA-C 108.419 -0.956 . . . . 71.33 108.419 178.689 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 1.3 tt -59.84 -38.98 83.59 Favored 'General case' 0 C--O 1.246 0.875 0 C-N-CA 125.291 1.436 . . . . 73.12 111.213 176.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 133' ' ' GLN . . . . . 0.459 ' HG3' ' O ' ' B' ' 129' ' ' ASP . 66.6 mt-30 -72.96 -26.39 61.35 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 115.887 -0.597 . . . . 73.1 111.179 176.722 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 134' ' ' LEU . . . . . 0.534 HD23 HD13 ' A' ' 34' ' ' LEU . 15.0 mt -67.86 -35.12 77.99 Favored 'General case' 0 N--CA 1.5 2.058 0 N-CA-C 109.51 -0.552 . . . . 72.32 109.51 175.64 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 135' ' ' GLU . . . . . 0.527 ' HG3' ' O ' ' B' ' 131' ' ' LYS . 14.8 mt-10 -66.98 -38.27 85.75 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-N 114.444 -1.253 . . . . 62.44 109.566 177.614 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 59.1 mttm -70.03 -36.67 75.23 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 114.516 -1.22 . . . . 71.21 112.069 173.01 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -65.2 -52.41 54.98 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 123.739 0.816 . . . . 71.42 110.95 -172.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 138' ' ' THR . . . . . . . . . . . . . 70.5 p -124.91 -69.09 0.81 Allowed 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 115.613 -0.721 . . . . 72.14 109.092 176.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.85 -27.28 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 125.665 1.586 . . . . 65.11 109.798 -177.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 140' ' ' ARG . . . . . 0.554 ' HG2' ' H ' ' B' ' 142' ' ' GLU . 41.2 ttt-85 66.44 159.48 0.13 Allowed 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 125.07 1.348 . . . . 71.23 111.814 -178.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 27.1 pt20 -55.18 -34.53 63.93 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.907 0.883 . . . . 74.35 111.738 171.57 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 142' ' ' GLU . . . . . 0.554 ' H ' ' HG2' ' B' ' 140' ' ' ARG . 12.3 pt-20 46.68 27.23 0.63 Allowed 'General case' 0 N--CA 1.495 1.802 0 C-N-CA 126.252 1.821 . . . . 74.12 113.885 176.33 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 55.3 mtp180 -73.04 -61.51 1.79 Allowed 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 108.429 -0.952 . . . . 70.3 108.429 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 144' ' ' PHE . . . . . . . . . . . . . 65.7 t80 . . . . . 0 C--O 1.246 0.876 0 N-CA-C 106.384 -1.71 . . . . 75.21 106.384 165.311 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.448 ' O ' ' HG3' ' A' ' 4' ' ' LYS . 2.9 m-20 . . . . . 0 N--CA 1.484 1.244 0 N-CA-C 112.016 0.376 . . . . 62.12 112.016 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.485 ' HD1' HD22 ' A' ' 5' ' ' LEU . 54.4 m-85 -80.45 -18.89 47.41 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 113.601 0.963 . . . . 72.24 113.601 -172.85 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.56 -42.37 87.18 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 109.5 -0.556 . . . . 73.51 109.5 174.508 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' A' ' 1' ' ' ASP . 0.0 OUTLIER -82.22 -25.78 33.87 Favored 'General case' 0 C--O 1.212 -0.875 0 CA-C-N 115.599 -0.728 . . . . 72.11 110.369 -179.331 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.485 HD22 ' HD1' ' A' ' 2' ' ' PHE . 16.5 tp -52.21 -46.26 65.57 Favored 'General case' 0 N--CA 1.493 1.697 0 CA-C-O 121.386 0.612 . . . . 64.53 110.573 174.026 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -56.95 -53.87 53.07 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-N 113.9 -1.5 . . . . 64.04 109.622 173.465 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -57.24 -31.78 65.88 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 124.703 1.201 . . . . 72.21 113.066 -178.282 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.436 ' HG2' ' O ' ' A' ' 4' ' ' LYS . 12.0 mm-40 -65.6 -69.99 0.26 Allowed 'General case' 0 N--CA 1.481 1.121 0 O-C-N 123.353 0.408 . . . . 74.32 111.153 -179.166 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.429 HD11 ' CE2' ' B' ' 106' ' ' TYR . 22.6 mt -59.81 -36.62 67.29 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 O-C-N 123.517 0.511 . . . . 71.22 110.863 -178.311 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.5 -31.79 72.17 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.485 0.714 . . . . 75.22 110.8 -179.184 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.99 -47.43 86.47 Favored 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 109.842 -0.429 . . . . 65.32 109.842 176.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.456 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 30.2 tp10 -74.5 -32.05 62.38 Favored 'General case' 0 C--O 1.215 -0.725 0 CA-C-N 115.593 -0.73 . . . . 65.34 110.795 178.803 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -66.49 -49.86 65.18 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.985 0.914 . . . . 64.1 110.357 -177.738 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -54.01 -48.07 70.84 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.758 1.223 . . . . 62.15 110.449 171.355 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.8 ttpt -60.84 -42.01 96.94 Favored 'General case' 0 C--N 1.348 0.536 0 O-C-N 124.238 0.961 . . . . 63.52 110.911 -179.005 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' A' ' 12' ' ' GLU . 79.2 mt -68.11 -29.15 68.0 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.446 0.699 . . . . 65.4 110.893 -178.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.438 ' HE3' ' HB3' ' A' ' 17' ' ' LYS . 0.7 OUTLIER -74.79 -31.65 61.79 Favored 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 123.523 0.729 . . . . 65.23 110.42 173.665 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.41 ' O ' ' HB3' ' A' ' 21' ' ' HIS . . . -74.63 -44.82 48.65 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.392 0.677 . . . . 72.35 110.701 -178.386 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -77.05 -28.6 54.84 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.572 0.749 . . . . 71.5 111.755 -178.51 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.423 ' HB3' HE22 ' B' ' 119' ' ' GLN . 1.0 OUTLIER -65.61 -40.73 92.97 Favored 'General case' 0 C--N 1.364 1.219 0 N-CA-C 108.291 -1.003 . . . . 72.13 108.291 172.295 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.41 ' HB3' ' O ' ' A' ' 18' ' ' ALA . 29.5 t60 -54.21 -49.37 69.57 Favored 'General case' 0 C--N 1.357 0.932 0 O-C-N 124.124 0.89 . . . . 73.31 109.945 176.245 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -53.3 -56.19 18.57 Favored 'General case' 0 N--CA 1.479 0.976 0 O-C-N 123.849 0.718 . . . . 71.42 111.182 177.014 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.633 HG22 HG22 ' B' ' 123' ' ' THR . 41.7 m -70.5 -27.61 64.33 Favored 'General case' 0 CA--C 1.548 0.869 0 O-C-N 124.012 0.82 . . . . 75.05 112.3 -173.552 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.401 ' OD1' HG21 ' B' ' 123' ' ' THR . 4.0 m-20 -70.3 -46.26 64.64 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 123.057 0.543 . . . . 71.04 109.771 177.834 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 32.8 mmt -66.17 -52.46 48.0 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 115.381 -0.827 . . . . 73.23 110.897 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.553 ' HG2' ' HA ' ' A' ' 23' ' ' THR . 13.3 pt-20 -69.35 -18.72 63.83 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 122.674 0.39 . . . . 73.3 111.443 -177.734 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.45 ' HB2' ' O ' ' A' ' 23' ' ' THR . 7.7 tt -67.13 -48.17 68.9 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 108.893 -0.78 . . . . 55.25 108.893 169.644 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 35.0 m -59.42 -40.76 87.73 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 123.91 0.884 . . . . 71.44 110.013 -179.613 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -58.04 -58.48 8.22 Favored 'General case' 0 C--N 1.348 0.523 0 CA-C-N 115.064 -0.971 . . . . 74.45 110.522 170.397 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.573 ' O ' ' HB2' ' A' ' 34' ' ' LEU . 2.2 mm? -61.34 -31.39 71.26 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.866 0.866 . . . . 74.3 112.7 -171.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.0 -34.01 26.42 Favored 'General case' 0 N--CA 1.483 1.175 0 CA-C-N 118.41 0.55 . . . . 72.43 110.181 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.507 ' HG ' ' HE2' ' A' ' 36' ' ' LYS . 55.7 tp -64.27 -52.56 58.01 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 123.358 0.663 . . . . 73.54 110.074 178.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.617 ' HB2' HG21 ' A' ' 38' ' ' THR . 1.0 OUTLIER -69.63 -32.01 70.46 Favored 'General case' 0 C--O 1.252 1.199 0 CA-C-N 115.421 -0.809 . . . . 75.24 111.107 179.63 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.573 ' HB2' ' O ' ' A' ' 30' ' ' LEU . 2.9 tm? -50.78 -61.69 2.06 Favored 'General case' 0 C--N 1.359 1.0 0 O-C-N 123.563 0.54 . . . . 53.21 109.707 177.273 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -73.27 -18.37 61.22 Favored 'General case' 0 C--N 1.363 1.171 0 O-C-N 126.989 2.681 . . . . 63.45 112.283 -173.062 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.507 ' HE2' ' HG ' ' A' ' 32' ' ' LEU . 66.9 mttm -63.62 -18.52 64.01 Favored 'General case' 0 N--CA 1.492 1.657 0 CA-C-O 121.04 0.448 . . . . 75.21 110.159 163.329 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 82.7 44.13 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 125.97 1.708 . . . . 74.34 107.427 171.705 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.617 HG21 ' HB2' ' A' ' 33' ' ' GLN . 1.4 t -94.46 178.66 5.54 Favored 'General case' 0 N--CA 1.497 1.914 0 CA-C-N 114.546 -1.206 . . . . 71.12 113.435 -164.666 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -102.5 -44.73 5.27 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.898 1.279 . . . . 73.34 111.483 174.418 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 32.9 ttm180 -137.15 151.39 48.76 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.118 0.567 . . . . 62.11 111.608 -169.587 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 16.9 pm0 -110.42 168.75 9.22 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.812 1.245 . . . . 74.22 109.393 173.174 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -77.8 -11.05 59.85 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.703 0.801 . . . . 71.42 111.592 176.079 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 44.1 mtm-85 69.26 -71.46 0.12 Allowed 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 125.879 1.671 . . . . 70.11 111.766 172.528 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 74.2 t80 . . . . . 0 N--CA 1.471 0.623 0 C-N-CA 123.354 0.662 . . . . 53.43 109.879 177.991 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 . . . . . 0 CA--C 1.536 0.44 0 CA-C-O 120.68 0.276 . . . . 63.41 110.973 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 102' ' ' PHE . . . . . 0.435 ' HD2' HD23 ' B' ' 105' ' ' LEU . 96.2 m-85 -105.7 -13.34 15.59 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.738 0.815 . . . . 63.52 110.949 175.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 103' ' ' LYS . . . . . 0.425 ' HD3' ' H ' ' B' ' 104' ' ' LYS . 0.0 OUTLIER -57.4 -31.67 66.07 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-O 121.761 0.791 . . . . 64.31 110.288 176.036 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 104' ' ' LYS . . . . . 0.428 ' O ' ' HG2' ' B' ' 108' ' ' GLN . 0.0 OUTLIER -70.65 -39.2 73.75 Favored 'General case' 0 C--O 1.214 -0.778 0 CA-C-N 114.208 -1.36 . . . . 74.43 110.599 178.303 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 105' ' ' LEU . . . . . 0.435 HD23 ' HD2' ' B' ' 102' ' ' PHE . 0.5 OUTLIER -59.73 -41.4 90.8 Favored 'General case' 0 C--N 1.375 1.715 0 N-CA-C 108.637 -0.875 . . . . 72.3 108.637 -178.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 106' ' ' TYR . . . . . 0.429 ' CE2' HD11 ' A' ' 9' ' ' ILE . 34.3 t80 -55.73 -51.79 66.14 Favored 'General case' 0 C--N 1.357 0.904 0 O-C-N 124.907 1.379 . . . . 75.0 109.297 176.614 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -64.64 -36.37 84.03 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 113.428 0.899 . . . . 73.31 113.428 -178.219 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 108' ' ' GLN . . . . . 0.428 ' HG2' ' O ' ' B' ' 104' ' ' LYS . 9.1 mm-40 -66.74 -59.14 3.83 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 122.717 0.407 . . . . 74.12 110.698 -175.618 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 109' ' ' ILE . . . . . 0.406 HG22 HG22 ' A' ' 9' ' ' ILE . 18.5 mt -63.7 -36.89 78.14 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.812 0 O-C-N 123.943 0.777 . . . . 74.34 110.259 -177.515 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -68.79 -36.78 78.69 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 123.597 0.759 . . . . 60.3 110.628 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -61.61 -43.45 98.84 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 122.605 0.362 . . . . 63.2 110.551 177.167 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 112' ' ' GLU . . . . . 0.463 ' O ' ' HG ' ' B' ' 116' ' ' LEU . 6.3 tp10 -66.45 -45.07 81.03 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 115.381 -0.827 . . . . 62.34 110.371 175.705 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -61.01 -35.8 77.81 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 124.903 1.281 . . . . 54.13 110.822 -177.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 114' ' ' GLU . . . . . 0.698 ' HA ' ' HE2' ' B' ' 117' ' ' LYS . 2.6 tt0 -64.77 -50.71 65.73 Favored 'General case' 0 C--O 1.25 1.087 0 C-N-CA 124.794 1.237 . . . . 54.12 110.043 177.445 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 23.9 ttpt -54.92 -41.58 71.18 Favored 'General case' 0 C--N 1.349 0.576 0 O-C-N 124.237 0.961 . . . . 75.41 110.02 174.694 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 116' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' B' ' 112' ' ' GLU . 93.7 mt -66.0 -32.25 73.62 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 115.252 -0.886 . . . . 54.3 112.036 -176.12 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 117' ' ' LYS . . . . . 0.698 ' HE2' ' HA ' ' B' ' 114' ' ' GLU . 46.4 mtmt -66.04 -45.32 81.84 Favored 'General case' 0 N--CA 1.482 1.138 0 CA-C-O 121.277 0.56 . . . . 64.31 110.116 174.61 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -67.99 -48.76 64.89 Favored 'General case' 0 C--O 1.241 0.64 0 CA-C-N 115.299 -0.864 . . . . 42.54 111.102 -175.702 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 119' ' ' GLN . . . . . 0.423 HE22 ' HB3' ' A' ' 20' ' ' LEU . 5.1 pp0? -66.96 -37.09 83.63 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 123.457 0.703 . . . . 73.13 111.155 -175.415 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 1.1 pp -64.89 -42.08 95.08 Favored 'General case' 0 C--N 1.36 1.053 0 N-CA-C 109.351 -0.611 . . . . 63.4 109.351 178.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 121' ' ' HIS . . . . . 0.508 ' O ' ' HG2' ' B' ' 125' ' ' MET . 34.5 t-80 -60.22 -42.51 95.34 Favored 'General case' 0 C--N 1.358 0.965 0 O-C-N 124.008 0.817 . . . . 72.51 109.961 179.106 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -61.47 -48.81 79.41 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 124.03 0.932 . . . . 72.11 111.149 178.522 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 123' ' ' THR . . . . . 0.633 HG22 HG22 ' A' ' 23' ' ' THR . 17.8 m -63.84 -31.98 73.35 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 123.738 0.815 . . . . 51.01 110.687 179.059 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 124' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -72.47 -35.42 68.21 Favored 'General case' 0 C--N 1.351 0.633 0 CA-C-N 115.644 -0.707 . . . . 51.44 110.134 177.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 125' ' ' MET . . . . . 0.508 ' HG2' ' O ' ' B' ' 121' ' ' HIS . 87.8 mmm -63.97 -39.24 93.68 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.171 0.588 . . . . 61.02 112.237 177.01 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 126' ' ' GLU . . . . . 0.491 ' O ' ' HG ' ' B' ' 130' ' ' LEU . 19.3 mt-10 -65.95 -46.38 78.34 Favored 'General case' 0 C--N 1.349 0.571 0 O-C-N 123.702 0.626 . . . . 65.44 109.348 176.735 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 127' ' ' LEU . . . . . 0.541 HD22 HG23 ' A' ' 23' ' ' THR . 41.3 tp -60.62 -37.45 81.48 Favored 'General case' 0 CA--C 1.556 1.199 0 C-N-CA 123.914 0.886 . . . . 75.55 111.235 179.044 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 128' ' ' THR . . . . . . . . . . . . . 29.1 m -67.11 -41.29 86.48 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.429 1.092 . . . . 44.32 110.107 176.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -66.78 -32.74 74.23 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-N 115.267 -0.879 . . . . 74.42 110.668 179.045 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 130' ' ' LEU . . . . . 0.491 ' HG ' ' O ' ' B' ' 126' ' ' GLU . 95.5 mt -71.85 -46.63 57.35 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.446 0.698 . . . . 72.23 111.866 -177.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.91 -32.43 72.05 Favored 'General case' 0 N--CA 1.486 1.362 0 CA-C-O 120.933 0.397 . . . . 71.42 110.249 179.261 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 35.1 tp -69.6 -41.4 75.79 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 116.085 -0.507 . . . . 74.23 110.561 176.305 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 133' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -69.51 -20.88 63.71 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 122.686 0.394 . . . . 71.2 110.94 174.721 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 134' ' ' LEU . . . . . 0.414 HD13 HE22 ' A' ' 33' ' ' GLN . 17.1 tp -75.05 -38.05 61.5 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.498 0.719 . . . . 74.11 110.449 -178.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 135' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -79.78 -18.88 49.92 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 115.982 -0.554 . . . . 73.14 111.49 172.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -77.39 -30.5 53.67 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 122.59 0.356 . . . . 73.32 110.586 168.506 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -71.65 -40.34 69.73 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.11 0.564 . . . . 50.03 110.651 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 138' ' ' THR . . . . . 0.5 HG23 ' H ' ' B' ' 139' ' ' GLN . 2.1 t -147.88 -69.18 0.23 Allowed 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 116.152 -0.476 . . . . 74.45 110.527 177.736 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 139' ' ' GLN . . . . . 0.5 ' H ' HG23 ' B' ' 138' ' ' THR . 1.3 pp0? -178.57 -22.91 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.926 0.89 . . . . 70.15 111.156 -172.365 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 140' ' ' ARG . . . . . 0.432 HH11 ' HD3' ' B' ' 140' ' ' ARG . 22.2 ttt180 68.8 153.87 0.11 Allowed 'General case' 0 N--CA 1.491 1.607 0 C-N-CA 124.382 1.073 . . . . 72.24 112.829 174.833 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 141' ' ' GLN . . . . . 0.438 HE21 ' HG3' ' B' ' 143' ' ' ARG . 3.5 pm0 -66.84 148.4 51.99 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.401 0.681 . . . . 71.1 111.085 173.707 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -85.49 79.72 9.33 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-O 122.086 0.946 . . . . 72.43 111.708 -177.681 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 143' ' ' ARG . . . . . 0.438 ' HG3' HE21 ' B' ' 141' ' ' GLN . 56.6 mtm180 -90.4 -65.51 1.01 Allowed 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 107.597 -1.26 . . . . 71.13 107.597 165.781 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 144' ' ' PHE . . . . . . . . . . . . . 46.8 t80 . . . . . 0 CA--C 1.546 0.796 0 N-CA-C 107.562 -1.273 . . . . 73.42 107.562 173.677 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.4 ' O ' ' HG3' ' A' ' 4' ' ' LYS . 2.0 m-20 . . . . . 0 N--CA 1.485 1.283 0 CA-C-O 120.765 0.317 . . . . 74.54 110.732 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -67.17 -24.47 65.88 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 113.244 0.831 . . . . 72.33 113.244 -178.056 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.428 ' HD2' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -67.63 -44.95 76.77 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 109.711 -0.477 . . . . 74.25 109.711 177.784 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.41 ' O ' ' HG2' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -78.3 -22.52 48.07 Favored 'General case' 0 C--O 1.215 -0.73 0 N-CA-C 109.386 -0.598 . . . . 74.24 109.386 -178.13 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 24.3 tp -54.32 -41.93 69.57 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.767 0.827 . . . . 73.51 109.957 172.421 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -55.43 -56.14 23.64 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-N 114.319 -1.31 . . . . 74.11 109.416 171.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.78 -31.65 64.86 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 113.199 0.814 . . . . 73.51 113.199 179.613 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.41 ' HG2' ' O ' ' A' ' 4' ' ' LYS . 10.1 mm-40 -64.11 -69.31 0.29 Allowed 'General case' 0 N--CA 1.48 1.025 0 O-C-N 123.29 0.369 . . . . 71.15 110.959 -178.17 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.546 HD11 ' CD2' ' B' ' 106' ' ' TYR . 15.4 mt -59.33 -40.76 82.24 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 O-C-N 123.006 0.191 . . . . 64.21 111.011 179.546 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.41 -28.19 69.07 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 123.704 0.801 . . . . 73.35 110.983 -177.069 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.57 -50.18 70.5 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 122.748 0.419 . . . . 74.22 110.202 174.473 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -70.13 -31.31 68.78 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 116.04 -0.527 . . . . 72.01 110.767 177.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -64.92 -41.61 95.41 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 124.094 0.958 . . . . 61.01 109.812 179.636 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.402 ' HA ' ' HE2' ' A' ' 17' ' ' LYS . 2.7 tt0 -57.82 -51.0 71.38 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.864 1.266 . . . . 74.24 110.002 173.74 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.8 ttpt -57.37 -45.59 84.25 Favored 'General case' 0 C--O 1.22 -0.484 0 CA-C-N 114.777 -1.102 . . . . 74.11 110.221 178.609 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.474 ' HB3' ' HB3' ' B' ' 116' ' ' LEU . 82.1 mt -64.83 -32.83 74.71 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 123.933 0.893 . . . . 51.11 111.251 -174.268 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.425 ' HA ' HD23 ' A' ' 20' ' ' LEU . 50.7 mtmt -68.74 -38.47 80.17 Favored 'General case' 0 N--CA 1.472 0.673 0 O-C-N 123.464 0.478 . . . . 64.31 110.569 174.218 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.7 -53.54 21.54 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 115.85 -0.614 . . . . 73.44 110.903 -176.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.426 ' OE1' HD22 ' B' ' 120' ' ' LEU . 0.4 OUTLIER -68.72 -32.25 71.9 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.054 0.941 . . . . 65.42 112.797 -177.194 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 17' ' ' LYS . 0.9 OUTLIER -66.36 -42.99 87.23 Favored 'General case' 0 C--N 1.356 0.861 0 N-CA-C 108.617 -0.883 . . . . 72.42 108.617 174.714 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 57.2 t-80 -62.06 -37.82 86.45 Favored 'General case' 0 C--N 1.355 0.843 0 O-C-N 123.969 0.793 . . . . 63.31 110.138 -178.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -59.62 -52.28 66.19 Favored 'General case' 0 C--N 1.353 0.744 0 O-C-N 123.831 0.707 . . . . 73.43 110.429 172.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.558 ' HA ' ' HG2' ' A' ' 26' ' ' GLU . 21.4 m -66.92 -27.34 67.41 Favored 'General case' 0 CA--C 1.547 0.851 0 O-C-N 123.829 0.706 . . . . 55.3 112.373 -176.445 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -75.35 -43.1 52.38 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.178 0.591 . . . . 75.5 109.769 177.578 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.28 -38.74 85.56 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.96 -0.563 . . . . 75.23 111.691 179.589 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.558 ' HG2' ' HA ' ' A' ' 23' ' ' THR . 13.3 pt-20 -80.23 -19.55 46.63 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 123.595 0.559 . . . . 74.45 110.376 178.717 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.559 HD22 HG23 ' B' ' 123' ' ' THR . 50.5 tp -69.89 -50.6 40.79 Favored 'General case' 0 C--N 1.353 0.721 0 C-N-CA 123.025 0.53 . . . . 71.51 109.765 171.283 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 88.7 m -63.57 -41.39 98.39 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.053 0.941 . . . . 63.43 110.407 179.123 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.522 ' O ' ' HG2' ' A' ' 33' ' ' GLN . 2.6 t70 -58.18 -52.98 63.31 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 114.281 -1.327 . . . . 72.33 109.978 173.52 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.432 ' HB2' ' O ' ' A' ' 26' ' ' GLU . 0.5 OUTLIER -58.19 -48.76 79.32 Favored 'General case' 0 C--N 1.355 0.831 0 O-C-N 124.204 0.94 . . . . 62.31 111.658 -174.794 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.5 -32.87 72.0 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 123.55 0.531 . . . . 64.32 111.609 -176.672 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.2 tt -60.11 -60.44 3.82 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.225 1.01 . . . . 74.51 110.613 178.489 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.522 ' HG2' ' O ' ' A' ' 29' ' ' ASP . 3.3 pt20 -68.07 -36.6 80.09 Favored 'General case' 0 CA--C 1.552 1.037 0 CA-C-N 115.282 -0.872 . . . . 65.15 110.611 -179.364 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 37.7 tp -49.7 -58.8 4.61 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.899 0.88 . . . . 72.1 110.449 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -67.13 -30.52 70.54 Favored 'General case' 0 C--N 1.362 1.151 0 O-C-N 126.275 2.235 . . . . 62.1 111.595 -175.43 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -61.8 -15.31 40.59 Favored 'General case' 0 N--CA 1.493 1.686 0 CA-C-O 120.584 0.23 . . . . 74.22 111.111 168.432 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 84.78 55.79 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 126.392 1.877 . . . . 41.44 109.071 172.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.444 HG21 ' HB2' ' A' ' 33' ' ' GLN . 1.8 t -96.2 169.79 9.7 Favored 'General case' 0 N--CA 1.491 1.623 0 CA-C-N 114.554 -1.203 . . . . 71.52 111.214 -175.656 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.431 ' HB3' HG21 ' B' ' 138' ' ' THR . 11.8 pt20 -116.85 -54.29 2.44 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.728 0.811 . . . . 73.25 111.123 178.007 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.542 ' HA ' ' OE1' ' B' ' 141' ' ' GLN . 6.7 tmm_? -82.02 140.14 34.1 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.034 0.534 . . . . 63.11 111.195 -175.323 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -124.7 147.86 48.36 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 114.933 -1.03 . . . . 71.1 108.615 175.242 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -116.56 -21.29 9.24 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.785 1.234 . . . . 73.34 109.724 174.191 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 55.5 mtp180 70.25 -72.93 0.1 Allowed 'General case' 0 C--N 1.364 1.205 0 C-N-CA 125.736 1.615 . . . . 72.3 111.53 175.472 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 75.1 t80 . . . . . 0 N--CA 1.476 0.873 0 C-N-CA 123.754 0.822 . . . . 75.14 111.375 179.985 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 . . . . . 0 N--CA 1.471 0.587 0 CA-C-O 120.659 0.266 . . . . 70.24 111.344 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 102' ' ' PHE . . . . . 0.445 ' HD2' HD23 ' B' ' 105' ' ' LEU . 96.5 m-85 -108.33 -4.61 17.3 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.689 0.796 . . . . 73.01 111.794 -178.676 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.0 -34.46 71.88 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 108.924 -0.769 . . . . 53.23 108.924 174.633 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 104' ' ' LYS . . . . . 0.485 ' O ' ' HG2' ' B' ' 108' ' ' GLN . 0.0 OUTLIER -62.58 -41.65 99.07 Favored 'General case' 0 C--N 1.362 1.122 0 CA-C-N 115.024 -0.989 . . . . 75.41 110.816 176.253 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 105' ' ' LEU . . . . . 0.445 HD23 ' HD2' ' B' ' 102' ' ' PHE . 0.5 OUTLIER -60.77 -41.85 96.31 Favored 'General case' 0 C--N 1.377 1.782 0 N-CA-C 109.109 -0.701 . . . . 73.11 109.109 -178.095 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 106' ' ' TYR . . . . . 0.546 ' CD2' HD11 ' A' ' 9' ' ' ILE . 39.5 t80 -57.39 -46.62 83.25 Favored 'General case' 0 C--N 1.36 1.053 0 O-C-N 124.366 1.041 . . . . 74.53 109.277 178.203 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -66.88 -39.7 87.57 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.063 0.945 . . . . 73.31 112.376 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 108' ' ' GLN . . . . . 0.485 ' HG2' ' O ' ' B' ' 104' ' ' LYS . 11.9 mm-40 -67.83 -58.49 4.51 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 122.992 0.517 . . . . 75.45 111.169 -175.166 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 18.6 mt -69.14 -37.3 76.35 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.617 0 CA-C-N 115.617 -0.719 . . . . 64.34 110.654 -174.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 110' ' ' LEU . . . . . 0.526 ' HB2' HD13 ' A' ' 9' ' ' ILE . 19.6 tp -74.14 -27.78 61.02 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 122.593 0.357 . . . . 71.51 111.518 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -62.89 -45.64 91.58 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 109.592 -0.521 . . . . 73.44 109.592 171.389 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 112' ' ' GLU . . . . . 0.449 ' O ' ' HG ' ' B' ' 116' ' ' LEU . 5.8 tp10 -64.68 -45.24 87.51 Favored 'General case' 0 C--O 1.216 -0.702 0 CA-C-N 115.152 -0.931 . . . . 72.32 110.017 176.683 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -59.84 -40.71 89.43 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 125.11 1.364 . . . . 52.22 110.694 -177.537 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -59.32 -54.17 49.87 Favored 'General case' 0 C--O 1.243 0.758 0 C-N-CA 124.319 1.048 . . . . 74.15 110.008 175.312 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 26.2 ttpt -56.17 -41.57 75.69 Favored 'General case' 0 C--O 1.218 -0.582 0 O-C-N 124.253 0.971 . . . . 63.3 110.298 178.387 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 116' ' ' LEU . . . . . 0.474 ' HB3' ' HB3' ' A' ' 16' ' ' LEU . 90.9 mt -64.78 -30.86 71.88 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 123.994 0.809 . . . . 71.44 111.463 -176.291 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 117' ' ' LYS . . . . . 0.479 ' HA ' HD23 ' B' ' 120' ' ' LEU . 54.3 mtmt -75.08 -35.69 61.8 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-O 120.787 0.327 . . . . 72.14 111.002 175.032 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -71.5 -42.23 68.29 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.492 0.717 . . . . 72.12 111.223 -179.286 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 119' ' ' GLN . . . . . 0.403 HE22 ' HB3' ' A' ' 20' ' ' LEU . 5.0 pp0? -76.43 -36.01 58.23 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.511 0.724 . . . . 74.44 110.765 -174.871 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 120' ' ' LEU . . . . . 0.479 HD23 ' HA ' ' B' ' 117' ' ' LYS . 1.2 pp -64.22 -43.99 93.29 Favored 'General case' 0 C--N 1.363 1.183 0 N-CA-C 108.627 -0.879 . . . . 75.12 108.627 176.328 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 -56.63 -46.57 80.9 Favored 'General case' 0 C--N 1.363 1.153 0 O-C-N 124.08 0.862 . . . . 73.12 110.686 179.059 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -63.48 -45.32 91.28 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 124.038 0.836 . . . . 72.43 111.292 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 123' ' ' THR . . . . . 0.559 HG23 HD22 ' A' ' 27' ' ' LEU . 37.5 m -69.97 -25.51 63.65 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 123.25 0.62 . . . . 61.22 111.399 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 124' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -71.26 -36.21 71.66 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 109.403 -0.591 . . . . 53.31 109.403 172.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 125' ' ' MET . . . . . . . . . . . . . 2.5 mmt -68.65 -38.8 80.73 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.262 0.625 . . . . 63.03 110.948 177.285 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -61.45 -44.75 96.55 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.356 0.662 . . . . 65.03 109.589 174.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 46.0 tp -62.89 -39.86 95.77 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 124.408 1.083 . . . . 73.34 110.864 178.082 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 128' ' ' THR . . . . . . . . . . . . . 86.2 m -64.31 -35.96 82.55 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.056 0.942 . . . . 53.42 110.434 177.27 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -65.34 -46.53 79.87 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 115.255 -0.884 . . . . 74.41 110.274 178.3 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 130' ' ' LEU . . . . . 0.46 HD12 HD12 ' A' ' 27' ' ' LEU . 68.0 mt -69.75 -34.12 73.37 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.276 0.63 . . . . 72.11 111.624 -178.533 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.27 -33.15 67.25 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 109.023 -0.732 . . . . 75.13 109.023 -179.063 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 56.0 tp -64.96 -47.75 76.52 Favored 'General case' 0 C--N 1.356 0.877 0 C-N-CA 123.611 0.764 . . . . 73.45 109.312 173.07 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 133' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -63.63 -28.8 70.16 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 115.644 -0.707 . . . . 72.13 111.331 178.171 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 134' ' ' LEU . . . . . 0.403 HD11 HG23 ' A' ' 38' ' ' THR . 22.4 tp -66.98 -50.85 60.97 Favored 'General case' 0 C--O 1.25 1.122 0 CA-C-O 121.829 0.823 . . . . 75.1 110.104 -178.279 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 135' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -73.87 -15.12 61.16 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 114.737 -1.12 . . . . 63.05 111.948 177.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -93.6 -17.03 23.75 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.373 0.669 . . . . 74.35 111.761 171.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -75.12 -38.82 60.95 Favored 'General case' 0 N--CA 1.484 1.254 0 CA-C-O 121.471 0.653 . . . . 70.25 109.444 177.441 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 138' ' ' THR . . . . . 0.431 HG21 ' HB3' ' A' ' 39' ' ' GLN . 0.1 OUTLIER -142.99 -77.69 0.24 Allowed 'General case' 0 C--O 1.241 0.627 0 CA-C-N 114.463 -1.244 . . . . 52.3 109.436 -179.063 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -172.17 -28.22 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.071 0.948 . . . . 70.0 110.793 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 140' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' B' ' 140' ' ' ARG . 31.2 ttt180 68.35 161.0 0.18 Allowed 'General case' 0 N--CA 1.498 1.967 0 C-N-CA 124.086 0.954 . . . . 74.31 110.615 179.245 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 141' ' ' GLN . . . . . 0.542 ' OE1' ' HA ' ' A' ' 40' ' ' ARG . 5.5 pm0 -62.73 152.48 35.53 Favored 'General case' 0 N--CA 1.486 1.357 0 O-C-N 121.606 -0.684 . . . . 74.21 110.393 173.409 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -73.04 -19.13 61.25 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.334 0.654 . . . . 73.33 112.317 -172.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 21.2 mmm180 64.76 -80.5 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 124.493 1.117 . . . . 73.54 111.788 176.333 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 144' ' ' PHE . . . . . . . . . . . . . 80.8 t80 . . . . . 0 C--O 1.251 1.179 0 N-CA-C 108.876 -0.786 . . . . 72.14 108.876 177.467 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.524 ' O ' ' HG3' ' A' ' 4' ' ' LYS . 7.9 m-20 . . . . . 0 N--CA 1.481 1.081 0 CA-C-O 121.116 0.484 . . . . 74.32 110.261 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -68.62 -14.06 62.77 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 114.493 1.294 . . . . 75.42 114.493 -165.211 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.0 -45.97 72.6 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 109.307 -0.627 . . . . 64.11 109.307 174.516 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.524 ' HG3' ' O ' ' A' ' 1' ' ' ASP . 0.0 OUTLIER -75.78 -28.86 58.56 Favored 'General case' 0 C--N 1.361 1.097 0 CA-C-O 119.022 -0.513 . . . . 65.03 110.092 179.239 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 24.5 tp -56.77 -48.55 77.61 Favored 'General case' 0 N--CA 1.483 1.208 0 O-C-N 123.419 0.449 . . . . 65.43 109.952 175.63 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 20.1 t80 -54.57 -52.93 60.57 Favored 'General case' 0 C--N 1.358 0.95 0 O-C-N 124.544 1.153 . . . . 71.43 109.763 175.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -65.28 -34.34 78.11 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 115.022 -0.99 . . . . 74.13 113.436 -173.029 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.476 ' HG2' ' HE3' ' A' ' 4' ' ' LYS . 5.8 mm-40 -69.55 -55.01 11.34 Favored 'General case' 0 N--CA 1.488 1.425 0 CA-C-N 118.068 0.394 . . . . 74.24 111.01 -177.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.51 HD11 ' CD2' ' B' ' 106' ' ' TYR . 3.5 mt -58.93 -47.14 90.61 Favored 'Isoleucine or valine' 0 C--N 1.366 1.307 0 O-C-N 123.452 0.47 . . . . 71.3 110.042 176.762 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -65.27 -30.71 71.6 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 124.584 1.153 . . . . 71.1 111.095 -174.703 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.84 -39.82 76.19 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 122.513 0.325 . . . . 42.21 110.338 175.534 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 20.9 tp10 -73.12 -31.8 64.53 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 123.581 0.752 . . . . 45.02 110.497 176.203 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -74.07 -44.43 54.18 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 124.923 1.289 . . . . 74.44 109.104 -175.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -65.99 -42.9 89.2 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 114.696 -1.138 . . . . 74.35 109.947 174.744 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.2 ttpt -52.67 -49.42 65.29 Favored 'General case' 0 CA--C 1.544 0.719 0 O-C-N 123.85 0.719 . . . . 74.14 110.555 174.34 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 92.3 mt -66.03 -29.44 69.8 Favored 'General case' 0 N--CA 1.477 0.881 0 O-C-N 124.154 0.909 . . . . 72.25 111.424 179.322 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.685 ' HA ' HD23 ' A' ' 20' ' ' LEU . 0.3 OUTLIER -72.79 -32.86 65.89 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 123.236 0.614 . . . . 73.31 110.776 174.605 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.88 -50.8 18.54 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.352 0.661 . . . . 74.14 110.247 -177.201 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -66.86 -34.97 78.96 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.155 0.582 . . . . 73.21 111.478 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.685 HD23 ' HA ' ' A' ' 17' ' ' LYS . 0.4 OUTLIER -63.65 -41.98 98.17 Favored 'General case' 0 C--N 1.364 1.205 0 N-CA-C 109.036 -0.727 . . . . 75.44 109.036 175.9 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.492 ' O ' ' HG2' ' A' ' 25' ' ' MET . 38.9 t-80 -58.94 -50.23 74.85 Favored 'General case' 0 C--N 1.354 0.779 0 O-C-N 123.96 0.788 . . . . 54.4 110.294 -178.289 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.406 ' O ' ' HG2' ' A' ' 26' ' ' GLU . 3.2 m-20 -58.9 -42.59 89.97 Favored 'General case' 0 N--CA 1.48 1.075 0 O-C-N 123.988 0.805 . . . . 65.24 111.369 176.065 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.6 HG22 HG22 ' B' ' 123' ' ' THR . 81.4 m -65.7 -31.57 72.64 Favored 'General case' 0 CA--C 1.552 1.044 0 O-C-N 123.999 0.812 . . . . 72.23 111.412 -179.518 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.501 ' ND2' HG21 ' B' ' 123' ' ' THR . 5.3 m-80 -74.8 -39.12 61.89 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.554 0.742 . . . . 64.34 110.324 177.669 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.492 ' HG2' ' O ' ' A' ' 21' ' ' HIS . 90.6 mmm -65.25 -45.19 85.56 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.191 0.596 . . . . 65.12 111.024 178.036 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.406 ' HG2' ' O ' ' A' ' 22' ' ' ASP . 14.8 pt-20 -76.29 -23.92 54.39 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 116.394 -0.366 . . . . 73.35 110.941 179.459 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.4 tt -63.89 -43.14 96.9 Favored 'General case' 0 C--N 1.357 0.892 0 N-CA-C 107.877 -1.157 . . . . 74.32 107.877 169.274 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 27.9 m -65.43 -39.4 92.05 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.343 0.657 . . . . 74.21 111.23 179.239 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.43 ' O ' ' HG3' ' A' ' 33' ' ' GLN . 12.6 t70 -62.25 -59.25 5.3 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.241 0.617 . . . . 63.3 109.338 179.775 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.585 HD22 HD22 ' B' ' 127' ' ' LEU . 9.6 mp -53.05 -54.23 38.5 Favored 'General case' 0 C--O 1.207 -1.142 0 O-C-N 124.909 1.381 . . . . 52.43 110.069 -179.479 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 53.5 tptt -46.58 -55.23 7.94 Favored 'General case' 0 C--O 1.248 1.008 0 C-N-CA 125.87 1.668 . . . . 65.21 112.279 177.703 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 60.6 tp -62.45 -66.19 0.58 Allowed 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 114.988 -1.006 . . . . 71.42 111.372 -172.205 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.43 ' HG3' ' O ' ' A' ' 29' ' ' ASP . 2.7 pp0? -71.56 -20.64 61.99 Favored 'General case' 0 CA--C 1.546 0.827 0 N-CA-C 112.297 0.48 . . . . 75.04 112.297 -174.528 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 21.1 tp -56.05 -59.14 5.34 Favored 'General case' 0 N--CA 1.487 1.389 0 CA-C-O 118.884 -0.579 . . . . 72.32 110.289 171.642 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -73.69 -18.13 61.05 Favored 'General case' 0 N--CA 1.48 1.026 0 O-C-N 125.075 1.485 . . . . 62.14 112.128 -176.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -77.28 -5.81 50.8 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 123.12 0.568 . . . . 60.24 110.45 166.617 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 83.38 65.6 0.02 OUTLIER 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 126.118 1.767 . . . . 70.42 109.297 169.701 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 9.7 t -39.4 163.0 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.063 0 CA-C-N 111.678 -2.51 . . . . 74.42 117.371 -174.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -137.02 -14.05 1.59 Allowed 'General case' 0 CA--C 1.559 1.301 0 CA-C-N 112.285 -2.234 . . . . 73.33 110.267 172.694 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 19.3 ttt180 -174.59 161.35 3.22 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 125.219 1.408 . . . . 54.1 109.066 -170.649 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.409 ' HG3' ' HG3' ' A' ' 43' ' ' ARG . 2.2 pt20 -125.73 155.5 40.87 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 108.906 -0.776 . . . . 74.25 108.906 174.153 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -114.49 -27.96 7.36 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 122.972 0.509 . . . . 65.11 110.461 176.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.409 ' HG3' ' HG3' ' A' ' 41' ' ' GLN . 79.3 mtp180 69.08 -69.91 0.15 Allowed 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 126.023 1.729 . . . . 70.0 112.417 177.5 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 87.6 t80 . . . . . 0 N--CA 1.484 1.255 0 C-N-CA 123.568 0.747 . . . . 63.35 111.467 178.54 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 . . . . . 0 N--CA 1.468 0.466 0 CA-C-O 121.43 0.633 . . . . 63.42 110.557 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 102' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -107.1 -3.12 20.29 Favored 'General case' 0 C--O 1.248 0.993 0 C-N-CA 124.472 1.109 . . . . 71.14 110.465 177.323 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 103' ' ' LYS . . . . . 0.414 ' O ' ' HG2' ' B' ' 107' ' ' GLU . 0.0 OUTLIER -59.38 -31.47 69.26 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 109.215 -0.661 . . . . 74.41 109.215 173.268 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 104' ' ' LYS . . . . . 0.481 ' O ' ' HG2' ' B' ' 108' ' ' GLN . 0.0 OUTLIER -73.57 -31.39 63.59 Favored 'General case' 0 C--O 1.213 -0.835 0 CA-C-N 114.45 -1.25 . . . . 74.13 110.812 -179.233 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.04 -41.87 99.6 Favored 'General case' 0 C--N 1.369 1.435 0 N-CA-C 107.557 -1.275 . . . . 74.23 107.557 175.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 106' ' ' TYR . . . . . 0.51 ' CD2' HD11 ' A' ' 9' ' ' ILE . 21.0 t80 -61.47 -40.98 96.48 Favored 'General case' 0 C--N 1.359 0.979 0 CA-C-N 114.802 -1.09 . . . . 70.05 109.595 176.236 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 107' ' ' GLU . . . . . 0.414 ' HG2' ' O ' ' B' ' 103' ' ' LYS . 28.5 mm-40 -64.69 -46.79 80.9 Favored 'General case' 0 C--N 1.352 0.681 0 C-N-CA 122.945 0.498 . . . . 54.13 112.059 178.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 108' ' ' GLN . . . . . 0.481 ' HG2' ' O ' ' B' ' 104' ' ' LYS . 14.5 mm-40 -62.89 -58.01 8.86 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 123.051 0.54 . . . . 70.52 110.965 -172.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 12.9 mt -70.26 -39.57 76.94 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.844 0 CA-C-N 115.242 -0.89 . . . . 62.31 110.794 -172.601 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -73.18 -32.15 64.66 Favored 'General case' 0 N--CA 1.491 1.581 0 C-N-CA 122.911 0.484 . . . . 74.3 110.699 -178.181 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -68.26 -39.39 82.23 Favored 'General case' 0 N--CA 1.487 1.42 0 CA-C-N 118.0 0.363 . . . . 72.13 110.17 175.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 112' ' ' GLU . . . . . 0.419 ' O ' ' HG ' ' B' ' 116' ' ' LEU . 4.8 tp10 -66.49 -40.75 89.46 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 115.378 -0.828 . . . . 74.34 109.921 173.827 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -64.65 -36.27 83.72 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 124.841 1.256 . . . . 72.41 110.601 -178.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -61.27 -51.92 66.91 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.413 1.085 . . . . 75.43 109.71 172.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 16.6 ttpt -59.14 -34.66 72.33 Favored 'General case' 0 C--N 1.349 0.571 0 CA-C-N 115.111 -0.949 . . . . 74.24 110.266 177.353 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 116' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' B' ' 112' ' ' GLU . 74.7 mt -67.24 -33.49 75.44 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.536 0.734 . . . . 65.01 111.491 -178.677 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -70.06 -38.98 75.92 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 110.065 -0.346 . . . . 72.22 110.065 174.142 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -69.78 -43.75 71.5 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 123.734 0.813 . . . . 53.3 111.466 -176.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -74.54 -38.18 62.82 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.505 -0.77 . . . . 71.12 110.28 -176.606 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.88 -36.58 80.5 Favored 'General case' 0 C--N 1.363 1.177 0 N-CA-C 108.927 -0.768 . . . . 73.43 108.927 -178.782 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 121' ' ' HIS . . . . . 0.57 ' O ' ' HG2' ' B' ' 125' ' ' MET . 41.5 t-80 -56.62 -53.75 53.98 Favored 'General case' 0 C--N 1.359 1.007 0 N-CA-C 108.694 -0.854 . . . . 71.54 108.694 175.349 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 122' ' ' ASP . . . . . 0.413 ' O ' ' HG3' ' B' ' 126' ' ' GLU . 32.7 t70 -54.21 -48.41 71.05 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 124.451 1.095 . . . . 70.25 112.04 178.796 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 123' ' ' THR . . . . . 0.6 HG22 HG22 ' A' ' 23' ' ' THR . 7.0 m -68.13 -33.02 73.71 Favored 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 123.551 0.741 . . . . 73.11 110.688 -176.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 124' ' ' ASN . . . . . 0.437 ' OD1' HG21 ' A' ' 23' ' ' THR . 3.8 m-20 -75.51 -30.16 59.73 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.65 0.78 . . . . 64.15 110.707 178.47 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 125' ' ' MET . . . . . 0.57 ' HG2' ' O ' ' B' ' 121' ' ' HIS . 93.7 mmm -68.89 -42.29 77.16 Favored 'General case' 0 C--N 1.353 0.722 0 C-N-CA 122.564 0.346 . . . . 72.02 110.485 175.589 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 126' ' ' GLU . . . . . 0.413 ' HG3' ' O ' ' B' ' 122' ' ' ASP . 14.6 mt-10 -67.45 -37.8 83.51 Favored 'General case' 0 N--CA 1.476 0.864 0 O-C-N 123.42 0.45 . . . . 52.32 109.808 177.316 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 127' ' ' LEU . . . . . 0.585 HD22 HD22 ' A' ' 30' ' ' LEU . 3.0 tm? -60.74 -47.95 84.0 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 123.948 0.899 . . . . 51.03 110.509 177.639 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 128' ' ' THR . . . . . 0.537 ' HA ' ' HG2' ' B' ' 131' ' ' LYS . 87.8 m -68.42 -30.82 69.8 Favored 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 123.666 0.786 . . . . 73.32 110.688 178.769 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -68.89 -49.16 60.57 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.196 0.598 . . . . 73.31 109.558 178.559 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 130' ' ' LEU . . . . . 0.51 ' HB3' ' HB3' ' A' ' 30' ' ' LEU . 97.4 mt -65.54 -35.92 82.28 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.625 0.77 . . . . 65.51 110.976 -178.201 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 131' ' ' LYS . . . . . 0.537 ' HG2' ' HA ' ' B' ' 128' ' ' THR . 10.3 pttp -71.77 -28.34 63.56 Favored 'General case' 0 C--N 1.365 1.248 0 O-C-N 123.374 0.421 . . . . 71.12 110.188 178.097 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 132' ' ' LEU . . . . . 0.684 ' HG ' ' HE3' ' B' ' 136' ' ' LYS . 32.1 tp -64.07 -52.27 60.1 Favored 'General case' 0 C--N 1.351 0.671 0 O-C-N 123.767 0.667 . . . . 64.52 109.797 177.002 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 133' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -70.82 -21.1 62.5 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-N 116.718 -0.219 . . . . 64.03 111.506 176.034 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 134' ' ' LEU . . . . . 0.432 ' O ' HG22 ' B' ' 138' ' ' THR . 0.2 OUTLIER -64.0 -48.89 74.61 Favored 'General case' 0 N--CA 1.482 1.165 0 N-CA-C 107.711 -1.218 . . . . 73.52 107.711 172.659 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 135' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -83.79 -0.47 51.16 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.27 0.628 . . . . 75.41 112.094 -177.741 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 136' ' ' LYS . . . . . 0.684 ' HE3' ' HG ' ' B' ' 132' ' ' LEU . 97.1 mttt -90.17 -52.54 4.89 Favored 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 123.196 0.598 . . . . 75.3 110.983 165.596 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -63.01 -37.25 86.43 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 124.251 1.02 . . . . 72.23 111.456 -175.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 138' ' ' THR . . . . . 0.432 HG22 ' O ' ' B' ' 134' ' ' LEU . 14.0 t -125.49 -179.15 4.49 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.625 0.77 . . . . 63.54 109.306 171.586 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -74.44 -32.12 62.52 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 122.97 0.508 . . . . 74.13 109.887 174.626 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 140' ' ' ARG . . . . . . . . . . . . . 54.0 ttt180 64.16 131.55 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 125.046 1.338 . . . . 65.05 110.894 -173.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 4.9 pm0 -52.61 144.44 13.82 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 123.941 0.896 . . . . 72.14 111.04 175.128 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -106.37 40.33 1.63 Allowed 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 123.401 0.68 . . . . 74.44 110.826 -167.775 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 65.4 mtp180 -65.37 -55.0 20.64 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 115.117 -0.947 . . . . 72.3 110.431 179.441 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 144' ' ' PHE . . . . . . . . . . . . . 84.1 t80 . . . . . 0 C--O 1.251 1.18 0 N-CA-C 108.741 -0.837 . . . . 74.52 108.741 175.698 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.468 ' O ' ' HG3' ' A' ' 4' ' ' LYS . 4.1 m-20 . . . . . 0 N--CA 1.483 1.179 0 CA-C-O 120.605 0.24 . . . . 52.53 110.651 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.464 ' HD1' HD22 ' A' ' 5' ' ' LEU . 58.2 m-85 -66.84 -14.54 62.82 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 113.985 1.106 . . . . 71.01 113.985 -176.274 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.481 ' HD3' ' H ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -68.68 -35.56 77.36 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 121.322 0.582 . . . . 74.13 109.914 179.09 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.481 ' H ' ' HD3' ' A' ' 3' ' ' LYS . 0.1 OUTLIER -83.83 -26.23 29.7 Favored 'General case' 0 C--O 1.213 -0.862 0 CA-C-N 114.984 -1.007 . . . . 62.1 109.42 179.012 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.464 HD22 ' HD1' ' A' ' 2' ' ' PHE . 20.6 tp -55.87 -45.43 78.54 Favored 'General case' 0 C--N 1.364 1.209 0 N-CA-C 109.628 -0.508 . . . . 71.13 109.628 173.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -54.61 -53.45 54.52 Favored 'General case' 0 C--N 1.358 0.957 0 O-C-N 124.747 1.279 . . . . 71.43 109.512 173.097 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -58.81 -35.58 73.1 Favored 'General case' 0 N--CA 1.472 0.641 0 O-C-N 124.52 1.138 . . . . 74.44 112.924 -177.557 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.417 ' HG2' ' O ' ' A' ' 4' ' ' LYS . 8.6 mm-40 -64.25 -64.55 0.85 Allowed 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 123.144 0.578 . . . . 72.1 111.057 -176.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.554 HD11 ' CD1' ' B' ' 106' ' ' TYR . 14.1 mt -59.9 -40.64 83.42 Favored 'Isoleucine or valine' 0 C--N 1.358 0.947 0 CA-C-O 119.558 -0.258 . . . . 63.13 111.224 177.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.75 -30.68 70.96 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 123.406 0.682 . . . . 74.33 110.959 -176.394 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.4 -44.85 93.49 Favored 'General case' 0 N--CA 1.48 1.073 0 N-CA-C 109.653 -0.499 . . . . 51.02 109.653 175.306 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.465 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 2.9 tp10 -69.66 -36.6 76.19 Favored 'General case' 0 C--O 1.211 -0.97 0 CA-C-N 115.051 -0.977 . . . . 73.13 110.385 176.738 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -66.34 -46.58 76.32 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 125.001 1.32 . . . . 72.23 110.307 -175.109 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -58.9 -47.92 83.27 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.689 1.196 . . . . 61.34 109.966 173.093 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.9 ttpt -58.83 -40.58 84.6 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 123.949 0.781 . . . . 73.42 110.852 178.672 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.497 ' HB3' ' HB3' ' B' ' 116' ' ' LEU . 86.6 mt -68.82 -30.16 68.65 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.606 0.762 . . . . 64.33 110.84 -177.855 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.35 -33.06 67.01 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 123.244 0.617 . . . . 74.54 109.91 174.061 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.82 -58.67 3.85 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 116.059 -0.519 . . . . 75.54 110.343 179.67 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -64.91 -28.21 69.38 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.642 0.777 . . . . 74.22 112.661 -177.124 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.494 ' HB3' HE22 ' B' ' 119' ' ' GLN . 0.9 OUTLIER -67.01 -44.41 80.37 Favored 'General case' 0 C--N 1.359 1.015 0 N-CA-C 109.401 -0.592 . . . . 72.24 109.401 171.89 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -55.6 -36.41 66.89 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 123.829 0.852 . . . . 63.12 110.419 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -64.11 -56.49 14.51 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.823 0.849 . . . . 52.24 111.284 171.203 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.566 HG22 HG22 ' B' ' 123' ' ' THR . 6.8 m -67.66 -24.58 65.45 Favored 'General case' 0 N--CA 1.481 1.099 0 N-CA-C 111.892 0.33 . . . . 70.42 111.892 -173.73 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.451 ' OD1' HG21 ' B' ' 123' ' ' THR . 3.0 m120 -80.17 -41.53 25.14 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.863 0.865 . . . . 73.12 110.292 -178.332 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 23.8 ptp -66.63 -46.05 77.06 Favored 'General case' 0 C--N 1.356 0.856 0 CA-C-O 119.341 -0.361 . . . . 74.5 110.146 178.405 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.433 ' HG3' HD13 ' B' ' 127' ' ' LEU . 12.7 pt-20 -71.74 -25.61 62.13 Favored 'General case' 0 C--O 1.211 -0.942 0 C-N-CA 122.844 0.458 . . . . 72.54 110.544 -177.444 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.5 tt -60.64 -51.27 70.11 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 109.381 -0.6 . . . . 64.42 109.381 171.105 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.0 m -64.26 -43.72 93.96 Favored 'General case' 0 CA--C 1.544 0.713 0 O-C-N 124.011 0.82 . . . . 73.22 111.101 -176.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -59.66 -57.27 13.66 Favored 'General case' 0 C--N 1.355 0.806 0 O-C-N 124.031 0.832 . . . . 70.41 109.974 176.367 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.532 HD21 ' HB2' ' A' ' 41' ' ' GLN . 2.1 mm? -48.62 -47.45 40.17 Favored 'General case' 0 N--CA 1.484 1.261 0 O-C-N 124.955 1.41 . . . . 64.01 111.784 179.115 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.2 tptt -58.94 -47.01 86.58 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 124.986 1.314 . . . . 72.22 110.584 -179.2 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 56.0 tp -64.35 -62.06 1.84 Allowed 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 115.134 -0.939 . . . . 73.44 110.046 -173.406 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.12 -39.46 78.75 Favored 'General case' 0 C--O 1.247 0.928 0 CA-C-N 115.25 -0.886 . . . . 75.53 111.249 179.102 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 29.0 tp -46.5 -63.07 1.1 Allowed 'General case' 0 C--O 1.247 0.965 0 C-N-CA 123.826 0.85 . . . . 64.34 111.089 -178.621 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -78.09 -13.33 59.91 Favored 'General case' 0 C--N 1.353 0.747 0 O-C-N 126.322 2.264 . . . . 50.32 112.397 -174.568 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 60.0 mtpt -76.09 -5.3 45.94 Favored 'General case' 0 N--CA 1.484 1.24 0 N-CA-C 110.034 -0.358 . . . . 61.23 110.034 163.555 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 81.6 62.94 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 125.607 1.563 . . . . 51.11 110.334 168.138 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 43.1 p -103.96 179.65 4.21 Favored 'General case' 0 N--CA 1.5 2.044 0 CA-C-N 115.158 -0.928 . . . . 74.0 113.031 -177.488 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.563 ' HB3' HG21 ' B' ' 138' ' ' THR . 0.0 OUTLIER -139.41 1.68 1.99 Allowed 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.381 1.072 . . . . 54.44 112.542 -174.297 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.454 ' HA ' ' OE1' ' B' ' 141' ' ' GLN . 77.2 ttt180 -133.71 151.2 51.57 Favored 'General case' 0 N--CA 1.481 1.08 0 O-C-N 122.115 -0.365 . . . . 73.42 110.178 178.579 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.532 ' HB2' HD21 ' A' ' 30' ' ' LEU . 20.7 pt20 -134.62 162.93 30.93 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 124.229 0.956 . . . . 74.31 109.674 177.729 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -132.62 83.03 2.04 Favored 'General case' 0 C--O 1.24 0.596 0 N-CA-C 108.133 -1.062 . . . . 55.55 108.133 177.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 17.3 mtp180 -58.94 -54.15 50.4 Favored 'General case' 0 CA--C 1.551 0.981 0 CA-C-N 114.377 -1.283 . . . . 73.23 111.429 177.749 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 72.0 t80 . . . . . 0 N--CA 1.486 1.357 0 C-N-CA 123.436 0.695 . . . . 73.42 109.652 174.789 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 . . . . . 0 N--CA 1.466 0.341 0 CA-C-O 121.359 0.599 . . . . 74.55 110.109 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 102' ' ' PHE . . . . . 0.528 ' HD1' HD23 ' B' ' 105' ' ' LEU . 96.7 m-85 -77.53 -2.42 35.48 Favored 'General case' 0 C--O 1.246 0.901 0 CA-C-N 114.809 -1.087 . . . . 74.21 113.691 -167.565 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.53 -36.55 74.03 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 109.578 -0.527 . . . . 75.1 109.578 173.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 104' ' ' LYS . . . . . 0.429 ' O ' ' HG2' ' B' ' 108' ' ' GLN . 0.1 OUTLIER -65.48 -37.62 87.38 Favored 'General case' 0 C--N 1.361 1.085 0 CA-C-O 118.48 -0.771 . . . . 62.32 111.24 178.095 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 105' ' ' LEU . . . . . 0.528 HD23 ' HD1' ' B' ' 102' ' ' PHE . 0.4 OUTLIER -60.65 -44.38 96.47 Favored 'General case' 0 C--N 1.378 1.811 0 N-CA-C 108.616 -0.883 . . . . 73.34 108.616 -177.772 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 106' ' ' TYR . . . . . 0.554 ' CD1' HD11 ' A' ' 9' ' ' ILE . 46.0 t80 -57.66 -47.92 80.94 Favored 'General case' 0 C--N 1.364 1.199 0 O-C-N 124.355 1.034 . . . . 65.42 109.653 179.327 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -66.87 -39.77 87.64 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 124.184 0.927 . . . . 72.33 112.881 -176.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 108' ' ' GLN . . . . . 0.429 ' HG2' ' O ' ' B' ' 104' ' ' LYS . 7.5 mm-40 -67.08 -53.43 31.0 Favored 'General case' 0 N--CA 1.486 1.331 0 O-C-N 123.381 0.426 . . . . 73.5 110.753 -176.252 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 13.8 mt -70.27 -38.72 75.35 Favored 'Isoleucine or valine' 0 C--N 1.352 0.714 0 O-C-N 123.73 0.644 . . . . 72.52 110.495 -175.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -70.05 -30.66 67.98 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 123.325 0.65 . . . . 72.03 110.378 179.715 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -65.32 -45.99 82.07 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 122.628 0.371 . . . . 31.43 110.011 173.56 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 112' ' ' GLU . . . . . 0.416 ' O ' ' HG ' ' B' ' 116' ' ' LEU . 38.4 tp10 -68.93 -33.48 73.8 Favored 'General case' 0 C--O 1.215 -0.757 0 CA-C-N 115.775 -0.648 . . . . 73.4 110.425 177.235 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -69.18 -38.24 78.58 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 124.772 1.229 . . . . 55.0 109.775 -179.474 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -61.3 -49.94 74.99 Favored 'General case' 0 C--N 1.352 0.715 0 C-N-CA 124.605 1.162 . . . . 73.3 109.391 172.138 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 14.6 ttpt -56.84 -42.8 80.32 Favored 'General case' 0 C--O 1.216 -0.663 0 O-C-N 124.327 1.017 . . . . 71.0 110.142 178.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 116' ' ' LEU . . . . . 0.497 ' HB3' ' HB3' ' A' ' 16' ' ' LEU . 92.5 mt -68.67 -35.03 76.7 Favored 'General case' 0 C--N 1.349 0.572 0 C-N-CA 124.001 0.92 . . . . 72.44 111.086 -178.505 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 117' ' ' LYS . . . . . 0.461 ' HD3' HD21 ' B' ' 120' ' ' LEU . 0.8 OUTLIER -68.45 -37.27 80.07 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-O 121.492 0.663 . . . . 74.34 110.727 175.942 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -77.73 -40.47 41.05 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 114.904 -1.044 . . . . 71.04 111.182 -175.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 119' ' ' GLN . . . . . 0.494 HE22 ' HB3' ' A' ' 20' ' ' LEU . 5.3 pp0? -71.02 -39.27 72.44 Favored 'General case' 0 C--O 1.219 -0.532 0 N-CA-C 109.941 -0.392 . . . . 72.3 109.941 -178.493 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 120' ' ' LEU . . . . . 0.461 HD21 ' HD3' ' B' ' 117' ' ' LYS . 1.2 pp -65.73 -38.35 88.89 Favored 'General case' 0 C--N 1.361 1.088 0 N-CA-C 109.487 -0.56 . . . . 74.54 109.487 178.796 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 4.9 t-80 -51.81 -56.46 13.8 Favored 'General case' 0 C--N 1.357 0.899 0 C-N-CA 123.506 0.722 . . . . 73.1 110.853 172.203 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 122' ' ' ASP . . . . . 0.498 ' O ' ' HG2' ' B' ' 126' ' ' GLU . 1.6 m-20 -60.7 -44.12 96.94 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 123.982 0.801 . . . . 74.32 111.22 -179.449 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 123' ' ' THR . . . . . 0.566 HG22 HG22 ' A' ' 23' ' ' THR . 42.1 m -65.29 -29.56 70.34 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 124.005 0.922 . . . . 65.54 111.554 -178.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 124' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -78.51 -34.21 47.5 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.76 0.824 . . . . 64.21 110.85 176.15 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 125' ' ' MET . . . . . . . . . . . . . 88.4 mmm -65.65 -33.82 76.77 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 122.833 0.453 . . . . 62.42 110.383 172.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 126' ' ' GLU . . . . . 0.513 ' O ' HD22 ' B' ' 130' ' ' LEU . 14.2 mm-40 -70.98 -47.76 57.07 Favored 'General case' 0 C--O 1.215 -0.731 0 C-N-CA 123.046 0.538 . . . . 75.3 109.931 174.572 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 127' ' ' LEU . . . . . 0.433 HD13 ' HG3' ' A' ' 26' ' ' GLU . 65.1 tp -53.65 -43.95 69.21 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 122.647 0.379 . . . . 70.25 110.757 175.681 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 128' ' ' THR . . . . . . . . . . . . . 33.0 m -62.71 -37.27 85.86 Favored 'General case' 0 C--N 1.355 0.844 0 C-N-CA 123.714 0.806 . . . . 75.41 110.358 175.594 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -66.44 -47.53 72.87 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 123.908 0.883 . . . . 55.32 111.436 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 130' ' ' LEU . . . . . 0.513 HD22 ' O ' ' B' ' 126' ' ' GLU . 1.2 mm? -64.22 -47.38 79.9 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 122.929 0.492 . . . . 75.11 111.203 -179.148 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.16 -30.47 69.59 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 116.187 -0.46 . . . . 71.15 110.242 -177.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 55.2 tp -65.76 -40.54 92.17 Favored 'General case' 0 C--N 1.359 0.999 0 C-N-CA 123.316 0.646 . . . . 71.52 110.181 177.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 133' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -74.88 -21.27 59.33 Favored 'General case' 0 C--O 1.218 -0.589 0 CA-C-N 116.024 -0.535 . . . . 72.12 110.42 177.591 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 14.9 tp -69.5 -47.74 62.88 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 123.536 0.735 . . . . 74.53 110.597 178.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 135' ' ' GLU . . . . . 0.523 ' HB3' ' HD2' ' B' ' 140' ' ' ARG . 3.8 pt-20 -68.47 -28.75 67.31 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 115.088 -0.96 . . . . 75.41 110.734 175.192 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -77.41 -24.22 50.49 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.147 0.579 . . . . 71.05 112.443 170.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -68.0 -43.18 79.48 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 123.359 0.664 . . . . 73.1 110.291 -178.547 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 138' ' ' THR . . . . . 0.563 HG21 ' HB3' ' A' ' 39' ' ' GLN . 3.2 t -148.59 -60.73 0.24 Allowed 'General case' 0 CA--C 1.548 0.869 0 CA-C-N 115.492 -0.776 . . . . 72.14 111.531 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 139' ' ' GLN . . . . . 0.485 ' H ' HG23 ' B' ' 138' ' ' THR . 0.0 OUTLIER -178.27 -28.9 0.01 OUTLIER 'General case' 0 C--N 1.354 0.79 0 C-N-CA 124.055 0.942 . . . . 73.44 110.066 178.623 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 140' ' ' ARG . . . . . 0.523 ' HD2' ' HB3' ' B' ' 135' ' ' GLU 0.261 0.0 OUTLIER 63.43 170.21 0.16 Allowed 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 125.111 1.364 . . . . 72.25 112.704 -177.534 . . . . . . . . 4 4 . 1 . 006 nuclear build full ' B' B ' 141' ' ' GLN . . . . . 0.454 ' OE1' ' HA ' ' A' ' 40' ' ' ARG . 5.7 pm0 -59.33 161.44 5.59 Favored 'General case' 0 N--CA 1.487 1.375 0 C-N-CA 123.456 0.702 . . . . 53.02 112.668 -175.343 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -111.3 4.32 19.01 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.974 0.91 . . . . 73.22 110.687 -176.43 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 69.2 ttt180 -65.55 -60.32 3.05 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.99 0.916 . . . . 60.12 110.035 176.388 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 144' ' ' PHE . . . . . . . . . . . . . 58.4 t80 . . . . . 0 C--O 1.251 1.15 0 C-N-CA 124.32 1.048 . . . . 75.41 108.51 173.729 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 . . . . . 0 N--CA 1.481 1.102 0 CA-C-O 119.139 -0.458 . . . . 74.32 111.643 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -60.02 -7.81 1.99 Allowed 'General case' 0 N--CA 1.491 1.604 0 N-CA-C 114.836 1.421 . . . . 74.24 114.836 -175.608 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.53 -35.53 78.01 Favored 'General case' 0 CA--C 1.556 1.211 0 N-CA-C 109.561 -0.533 . . . . 73.51 109.561 173.286 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.21 -27.87 60.99 Favored 'General case' 0 C--N 1.36 1.03 0 CA-C-N 115.342 -0.844 . . . . 74.22 110.599 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 25.4 tp -58.36 -42.39 86.81 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-O 121.353 0.597 . . . . 71.43 109.947 178.447 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -55.31 -54.3 45.25 Favored 'General case' 0 C--N 1.349 0.58 0 CA-C-N 113.568 -1.651 . . . . 75.32 109.9 172.113 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -58.53 -35.95 73.1 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.253 1.021 . . . . 53.43 112.823 -176.223 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -64.09 -62.68 1.47 Allowed 'General case' 0 N--CA 1.481 1.111 0 O-C-N 123.521 0.513 . . . . 74.24 111.326 -176.288 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.562 HD11 ' CD1' ' B' ' 106' ' ' TYR . 7.9 mt -62.12 -47.2 94.27 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.84 0 O-C-N 123.532 0.52 . . . . 71.21 111.104 178.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.569 ' HA ' ' HB3' ' A' ' 13' ' ' ASN . 0.7 OUTLIER -64.35 -26.2 68.37 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 124.192 0.997 . . . . 71.32 110.964 -175.901 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.11 -49.0 76.15 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 110.172 -0.307 . . . . 54.14 110.172 173.144 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.507 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 38.1 tt0 -71.35 -33.39 69.55 Favored 'General case' 0 C--O 1.205 -1.253 0 CA-C-N 115.954 -0.567 . . . . 71.4 110.231 177.572 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.569 ' HB3' ' HA ' ' A' ' 10' ' ' LEU . 24.6 t-20 -70.83 -44.29 66.81 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 124.366 1.066 . . . . 72.04 110.724 -173.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -64.37 -43.06 95.68 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.595 0.758 . . . . 63.55 109.384 173.311 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.0 ttpt -56.65 -43.44 80.32 Favored 'General case' 0 C--O 1.214 -0.799 0 O-C-N 124.019 0.824 . . . . 62.45 110.241 175.318 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' ' 12' ' ' GLU . 84.4 mt -66.76 -34.06 76.99 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.963 0.905 . . . . 74.35 110.901 -178.09 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.56 -37.22 84.5 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 123.561 0.744 . . . . 72.24 109.426 174.04 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.62 -55.97 6.04 Favored 'General case' 0 C--N 1.346 0.42 0 CA-C-N 115.943 -0.571 . . . . 64.43 110.34 -175.53 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -67.46 -30.28 69.95 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 124.342 1.057 . . . . 73.23 112.184 -175.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.13 -42.29 80.42 Favored 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 108.368 -0.975 . . . . 65.31 108.368 174.516 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.479 ' O ' ' HG2' ' A' ' 25' ' ' MET . 54.6 t-80 -59.1 -44.26 91.94 Favored 'General case' 0 C--N 1.36 1.035 0 O-C-N 124.225 0.953 . . . . 73.55 109.405 179.626 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -59.8 -51.04 71.43 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 123.941 0.776 . . . . 73.21 110.25 175.131 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.579 HG22 HG22 ' B' ' 123' ' ' THR . 39.5 m -61.6 -30.45 70.69 Favored 'General case' 0 C--N 1.355 0.847 0 O-C-N 124.098 0.874 . . . . 64.21 111.672 -176.338 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.512 ' ND2' HG21 ' B' ' 123' ' ' THR . 5.9 m-80 -77.45 -42.87 34.37 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.133 0.973 . . . . 74.11 110.675 177.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.479 ' HG2' ' O ' ' A' ' 21' ' ' HIS . 86.2 mmm -63.73 -38.83 92.57 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.116 0.567 . . . . 65.11 111.337 177.614 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.428 ' HA ' ' HB3' ' A' ' 29' ' ' ASP . 10.5 pt-20 -85.88 -20.09 29.59 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 123.853 0.721 . . . . 73.54 110.671 -178.062 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.461 ' HB2' ' O ' ' A' ' 23' ' ' THR . 7.3 tt -66.44 -47.95 71.53 Favored 'General case' 0 C--N 1.354 0.764 0 N-CA-C 108.816 -0.809 . . . . 64.35 108.816 168.472 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 24.6 m -73.97 -29.91 62.23 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 123.56 0.744 . . . . 73.42 110.804 -176.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.428 ' HB3' ' HA ' ' A' ' 26' ' ' GLU . 24.5 t70 -61.8 -59.81 4.59 Favored 'General case' 0 C--O 1.242 0.668 0 C-N-CA 124.06 0.944 . . . . 74.2 109.439 172.312 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.518 ' HB3' ' HB3' ' B' ' 130' ' ' LEU . 8.5 mp -56.84 -41.27 77.58 Favored 'General case' 0 C--O 1.205 -1.287 0 O-C-N 124.45 1.094 . . . . 74.12 111.292 178.456 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 38.8 tptt -53.05 -53.43 50.3 Favored 'General case' 0 C--O 1.26 1.644 0 C-N-CA 125.143 1.377 . . . . 72.33 111.437 177.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 36.2 tp -60.25 -57.99 10.44 Favored 'General case' 0 C--O 1.244 0.796 0 CA-C-N 114.291 -1.322 . . . . 74.03 110.386 -173.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -66.14 -32.8 74.47 Favored 'General case' 0 CA--C 1.55 0.945 0 CA-C-N 115.193 -0.912 . . . . 55.42 111.923 -179.003 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.464 ' HB2' ' O ' ' A' ' 30' ' ' LEU . 1.5 tm? -53.19 -61.4 2.32 Favored 'General case' 0 N--CA 1.483 1.214 0 N-CA-C 109.081 -0.711 . . . . 70.13 109.081 -175.15 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -71.04 -21.57 62.24 Favored 'General case' 0 CA--C 1.546 0.826 0 O-C-N 126.527 2.392 . . . . 73.31 112.906 -178.022 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 57.4 mtpt -66.0 -12.54 55.85 Favored 'General case' 0 N--CA 1.496 1.855 0 CA-C-N 118.172 0.442 . . . . 71.41 111.854 165.067 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 83.15 58.51 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 126.253 1.821 . . . . 71.13 109.99 174.305 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 89.9 m -103.59 165.3 11.12 Favored 'General case' 0 CA--C 1.552 1.045 0 CA-C-N 114.163 -1.381 . . . . 64.23 111.31 -175.539 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.424 ' HB3' HG21 ' B' ' 138' ' ' THR . 5.0 pp0? -120.87 -39.82 2.69 Favored 'General case' 0 C--N 1.359 0.987 0 C-N-CA 123.461 0.704 . . . . 64.54 112.271 -179.353 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 58.4 ttp180 -106.09 142.26 36.09 Favored 'General case' 0 N--CA 1.481 1.099 0 O-C-N 121.613 -0.68 . . . . 71.12 110.029 -179.372 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -109.89 159.76 16.96 Favored 'General case' 0 C--O 1.24 0.594 0 CA-C-N 115.27 -0.877 . . . . 73.54 109.84 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -137.7 77.59 1.64 Allowed 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 107.771 -1.196 . . . . 65.33 107.771 178.017 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 13.7 mtm-85 -82.03 -54.32 5.4 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 114.592 -1.185 . . . . 74.42 109.095 174.499 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 80.4 t80 . . . . . 0 N--CA 1.477 0.902 0 CA-C-N 115.181 -0.918 . . . . 73.02 110.052 177.746 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 29.3 t70 . . . . . 0 C--O 1.236 0.387 0 CA-C-O 121.605 0.717 . . . . 65.45 109.732 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 102' ' ' PHE . . . . . 0.403 ' HD2' HD23 ' B' ' 105' ' ' LEU . 89.7 m-85 -72.38 -6.6 44.6 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 114.23 -1.35 . . . . 60.34 113.312 -174.698 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.41 -34.69 74.31 Favored 'General case' 0 C--N 1.354 0.78 0 N-CA-C 110.131 -0.322 . . . . 74.01 110.131 177.206 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 104' ' ' LYS . . . . . 0.443 ' O ' ' HG2' ' B' ' 108' ' ' GLN . 0.0 OUTLIER -64.19 -39.37 93.86 Favored 'General case' 0 C--N 1.362 1.126 0 CA-C-O 118.261 -0.876 . . . . 74.34 110.922 176.277 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 105' ' ' LEU . . . . . 0.403 HD23 ' HD2' ' B' ' 102' ' ' PHE . 0.3 OUTLIER -59.28 -43.31 92.56 Favored 'General case' 0 C--N 1.374 1.633 0 N-CA-C 108.167 -1.049 . . . . 75.42 108.167 -177.861 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 106' ' ' TYR . . . . . 0.562 ' CD1' HD11 ' A' ' 9' ' ' ILE . 41.7 t80 -56.5 -56.05 26.11 Favored 'General case' 0 C--N 1.363 1.176 0 O-C-N 124.744 1.277 . . . . 74.11 109.428 177.542 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -63.49 -37.65 88.11 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.106 0.962 . . . . 63.01 113.147 -172.676 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 108' ' ' GLN . . . . . 0.443 ' HG2' ' O ' ' B' ' 104' ' ' LYS . 9.6 mm-40 -70.31 -55.76 8.39 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 122.355 0.262 . . . . 53.25 111.272 -176.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 28.4 mt -61.19 -38.65 80.2 Favored 'Isoleucine or valine' 0 C--N 1.363 1.172 0 O-C-N 123.613 0.571 . . . . 75.31 110.125 178.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 110' ' ' LEU . . . . . 0.471 ' HA ' ' HB3' ' B' ' 113' ' ' ASN . 2.1 tm? -71.82 -31.18 66.28 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 123.985 0.914 . . . . 74.52 110.612 -178.394 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -62.33 -46.37 89.03 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 110.079 -0.341 . . . . 73.21 110.079 174.114 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 112' ' ' GLU . . . . . 0.434 ' O ' ' HG ' ' B' ' 116' ' ' LEU . 3.1 tp10 -66.99 -42.37 85.18 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-N 115.63 -0.714 . . . . 75.45 110.513 176.554 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 113' ' ' ASN . . . . . 0.471 ' HB3' ' HA ' ' B' ' 110' ' ' LEU . 26.0 t-20 -63.09 -45.77 90.52 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 125.328 1.451 . . . . 65.45 111.302 -176.014 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -55.19 -49.39 72.05 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.934 1.293 . . . . 73.11 110.304 171.339 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 17.4 ttpt -62.17 -36.87 83.2 Favored 'General case' 0 C--N 1.349 0.558 0 CA-C-N 115.16 -0.927 . . . . 72.44 110.454 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 116' ' ' LEU . . . . . 0.504 ' HB3' ' HB3' ' A' ' 16' ' ' LEU . 81.4 mt -71.85 -24.11 61.64 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 123.678 0.611 . . . . 72.34 111.241 -176.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 117' ' ' LYS . . . . . 0.708 ' HA ' HD23 ' B' ' 120' ' ' LEU . 45.6 mtmt -82.06 -29.44 31.87 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 122.612 0.365 . . . . 73.21 111.276 173.23 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -72.53 -45.27 60.1 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.178 0.591 . . . . 61.44 110.504 177.642 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 119' ' ' GLN . . . . . 0.421 ' HG3' ' HA ' ' B' ' 116' ' ' LEU . 0.0 OUTLIER -73.56 -37.55 65.49 Favored 'General case' 0 C--N 1.345 0.406 0 CA-C-N 115.471 -0.786 . . . . 72.51 110.915 -177.668 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 120' ' ' LEU . . . . . 0.708 HD23 ' HA ' ' B' ' 117' ' ' LYS . 0.4 OUTLIER -63.1 -40.45 97.68 Favored 'General case' 0 C--N 1.369 1.451 0 N-CA-C 108.883 -0.784 . . . . 74.33 108.883 177.624 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 121' ' ' HIS . . . . . 0.503 ' O ' ' HG2' ' B' ' 125' ' ' MET . 33.4 t-80 -58.09 -45.48 87.12 Favored 'General case' 0 C--N 1.358 0.963 0 O-C-N 124.207 0.942 . . . . 71.02 110.034 178.305 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -60.18 -48.67 80.76 Favored 'General case' 0 CA--C 1.548 0.873 0 O-C-N 124.352 1.033 . . . . 73.44 110.884 177.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 123' ' ' THR . . . . . 0.579 HG22 HG22 ' A' ' 23' ' ' THR . 8.0 m -66.45 -29.56 69.72 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 124.385 1.074 . . . . 53.52 111.089 -178.625 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 124' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -74.33 -35.4 63.62 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.303 0.641 . . . . 72.32 110.545 177.42 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 125' ' ' MET . . . . . 0.503 ' HG2' ' O ' ' B' ' 121' ' ' HIS . 93.3 mmm -64.36 -37.74 88.58 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 122.789 0.435 . . . . 62.44 110.704 174.25 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -66.37 -44.5 82.97 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 116.003 -0.544 . . . . 70.32 110.322 175.549 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 46.3 tp -60.23 -38.99 85.11 Favored 'General case' 0 CA--C 1.555 1.167 0 C-N-CA 123.614 0.765 . . . . 71.12 110.703 177.601 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 128' ' ' THR . . . . . . . . . . . . . 91.2 m -63.41 -37.81 88.71 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 124.253 1.021 . . . . 74.12 110.519 175.277 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 129' ' ' ASP . . . . . 0.422 ' O ' ' HG3' ' B' ' 133' ' ' GLN . 9.1 t70 -63.71 -45.06 91.69 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.649 0.78 . . . . 74.31 110.89 177.397 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 130' ' ' LEU . . . . . 0.518 ' HB3' ' HB3' ' A' ' 30' ' ' LEU . 1.5 mm? -63.69 -45.89 87.98 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 111.807 0.299 . . . . 62.14 111.807 -177.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.8 -30.79 70.3 Favored 'General case' 0 N--CA 1.483 1.177 0 O-C-N 123.351 0.407 . . . . 72.34 110.264 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 51.5 tp -72.09 -38.28 69.41 Favored 'General case' 0 C--N 1.357 0.911 0 C-N-CA 123.082 0.553 . . . . 75.45 110.187 178.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 133' ' ' GLN . . . . . 0.422 ' HG3' ' O ' ' B' ' 129' ' ' ASP . 40.0 mt-30 -74.71 -21.55 59.32 Favored 'General case' 0 C--O 1.215 -0.756 0 N-CA-C 110.223 -0.288 . . . . 74.41 110.223 175.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 12.2 tp -68.36 -45.12 73.65 Favored 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 124.475 1.11 . . . . 62.24 109.056 -178.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 135' ' ' GLU . . . . . 0.634 ' HB3' ' HD2' ' B' ' 140' ' ' ARG . 6.4 pt-20 -74.79 -30.28 61.38 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 114.3 -1.318 . . . . 71.22 111.762 175.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -80.57 -16.06 55.12 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 122.473 0.309 . . . . 74.55 111.581 174.217 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -74.65 -45.65 43.26 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 109.61 -0.515 . . . . 63.04 109.61 174.08 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 138' ' ' THR . . . . . 0.503 HG23 ' H ' ' B' ' 139' ' ' GLN . 1.4 t -143.86 -69.18 0.32 Allowed 'General case' 0 CA--C 1.556 1.21 0 CA-C-N 115.546 -0.752 . . . . 75.14 111.191 179.652 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 139' ' ' GLN . . . . . 0.503 ' H ' HG23 ' B' ' 138' ' ' THR . 0.0 OUTLIER -173.77 -22.26 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.787 0.835 . . . . 75.44 110.927 -178.53 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 140' ' ' ARG . . . . . 0.634 ' HD2' ' HB3' ' B' ' 135' ' ' GLU 0.256 0.0 OUTLIER 69.04 165.89 0.26 Allowed 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 125.704 1.601 . . . . 73.32 112.238 177.36 . . . . . . . . 4 4 . 1 . 007 nuclear build full ' B' B ' 141' ' ' GLN . . . . . 0.493 ' NE2' ' HG2' ' B' ' 140' ' ' ARG . 0.6 OUTLIER -66.55 147.47 53.23 Favored 'General case' 0 C--N 1.36 1.032 0 CA-C-O 121.219 0.533 . . . . 73.43 111.247 -175.467 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -102.35 18.59 20.65 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.332 1.053 . . . . 53.33 109.907 -171.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 7.0 ttp180 -51.81 -55.76 17.99 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.043 1.337 . . . . 64.33 110.883 172.671 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 144' ' ' PHE . . . . . . . . . . . . . 74.5 t80 . . . . . 0 CA--C 1.546 0.798 0 N-CA-C 107.234 -1.395 . . . . 74.02 107.234 171.338 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 . . . . . 0 N--CA 1.474 0.772 0 N-CA-C 110.614 -0.143 . . . . 74.51 110.614 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.504 ' HD2' HD22 ' A' ' 5' ' ' LEU . 51.4 m-85 -64.71 -6.72 8.5 Favored 'General case' 0 N--CA 1.485 1.318 0 N-CA-C 113.91 1.078 . . . . 70.25 113.91 177.317 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.549 ' HD3' ' H ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -67.39 -35.22 78.88 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 122.391 0.276 . . . . 64.35 110.309 176.363 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.549 ' H ' ' HD3' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -78.97 -24.94 43.5 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-O 118.966 -0.54 . . . . 71.41 110.363 177.155 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.504 HD22 ' HD2' ' A' ' 2' ' ' PHE . 17.7 tp -58.31 -46.89 85.3 Favored 'General case' 0 N--CA 1.485 1.286 0 CA-C-O 121.472 0.653 . . . . 64.2 109.518 174.793 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -55.79 -53.57 55.01 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-N 113.657 -1.61 . . . . 74.33 109.922 172.72 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -58.8 -36.34 74.32 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 113.231 0.826 . . . . 61.22 113.231 -176.457 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.441 ' HG2' ' O ' ' A' ' 4' ' ' LYS . 8.4 mm-40 -63.65 -66.35 0.55 Allowed 'General case' 0 N--CA 1.482 1.137 0 O-C-N 123.333 0.395 . . . . 71.45 111.412 -177.801 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.565 HD13 ' HB2' ' B' ' 110' ' ' LEU . 16.2 mt -59.37 -42.1 86.43 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.061 0 O-C-N 123.246 0.341 . . . . 73.24 111.109 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.544 ' HA ' ' HB3' ' A' ' 13' ' ' ASN . 0.9 OUTLIER -67.51 -26.91 66.57 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 124.039 0.936 . . . . 73.42 111.191 -176.044 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.29 -47.43 70.63 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-O 120.61 0.243 . . . . 64.35 110.849 175.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.463 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 34.7 tt0 -69.91 -36.16 75.15 Favored 'General case' 0 C--O 1.21 -0.977 0 CA-C-N 115.748 -0.66 . . . . 64.14 109.972 176.687 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.544 ' HB3' ' HA ' ' A' ' 10' ' ' LEU . 4.0 t30 -63.33 -41.1 98.86 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 124.979 1.312 . . . . 71.14 110.321 -179.284 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -61.07 -48.78 80.12 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 115.042 -0.981 . . . . 72.55 109.617 173.467 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.4 ttpt -60.33 -41.66 94.03 Favored 'General case' 0 C--O 1.215 -0.761 0 CA-C-N 114.9 -1.046 . . . . 75.22 110.578 -179.508 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 12' ' ' GLU . 98.3 mt -67.34 -32.92 74.19 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.067 0.947 . . . . 70.2 110.396 -177.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.417 ' HA ' HD23 ' A' ' 20' ' ' LEU . 0.3 OUTLIER -68.9 -33.97 74.64 Favored 'General case' 0 CA--C 1.552 1.052 0 C-N-CA 124.301 1.04 . . . . 75.05 109.703 174.562 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.36 -55.91 5.23 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 116.085 -0.507 . . . . 60.01 110.881 -177.559 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -63.33 -31.28 72.39 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.572 0.749 . . . . 74.44 111.955 -179.279 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' A' ' 17' ' ' LYS . 0.6 OUTLIER -65.84 -43.58 88.09 Favored 'General case' 0 N--CA 1.483 1.18 0 N-CA-C 109.562 -0.533 . . . . 54.03 109.562 173.213 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 81.3 t60 -55.94 -46.64 78.45 Favored 'General case' 0 C--N 1.363 1.194 0 O-C-N 123.671 0.607 . . . . 51.24 109.476 178.782 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -59.69 -47.02 87.28 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.448 -0.797 . . . . 74.32 110.992 177.029 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.569 HG22 HG22 ' B' ' 123' ' ' THR . 17.2 m -70.64 -25.75 63.15 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 122.921 0.488 . . . . 62.52 111.619 -176.078 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -78.7 -39.24 37.12 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 122.911 0.484 . . . . 72.34 109.944 176.655 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 79.3 mmm -66.48 -44.24 83.23 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.372 0.669 . . . . 63.31 111.4 177.447 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.5 ' HG2' ' HA ' ' A' ' 23' ' ' THR . 13.2 pt-20 -76.15 -21.61 56.37 Favored 'General case' 0 C--O 1.204 -1.32 0 CA-C-O 118.941 -0.552 . . . . 74.24 110.381 178.69 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.8 tt -68.13 -47.98 66.65 Favored 'General case' 0 N--CA 1.485 1.293 0 N-CA-C 109.075 -0.713 . . . . 74.23 109.075 169.599 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 86.5 m -59.11 -42.0 89.52 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.125 0.97 . . . . 61.41 109.94 179.016 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -71.11 -42.04 69.78 Favored 'General case' 0 C--O 1.221 -0.439 0 CA-C-N 115.139 -0.937 . . . . 53.43 110.253 178.204 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.446 ' HB2' ' O ' ' A' ' 26' ' ' GLU . 0.6 OUTLIER -62.92 -43.08 99.78 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.109 0.564 . . . . 74.44 110.891 -175.361 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.419 ' HD3' ' N ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -73.36 -39.75 64.92 Favored 'General case' 0 C--O 1.244 0.771 0 O-C-N 123.581 0.551 . . . . 72.51 110.896 -179.104 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.419 ' N ' ' HD3' ' A' ' 31' ' ' LYS . 52.1 tp -63.48 -54.11 41.59 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.316 0.646 . . . . 72.4 110.101 -178.539 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -61.8 -44.64 96.47 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 115.796 -0.638 . . . . 75.44 110.244 -179.138 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 13.8 tp -42.0 -67.74 0.24 Allowed 'General case' 0 C--O 1.248 1.006 0 C-N-CA 125.288 1.435 . . . . 73.12 110.841 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -68.37 -26.52 65.62 Favored 'General case' 0 C--N 1.355 0.821 0 O-C-N 126.12 2.137 . . . . 62.31 112.565 -173.248 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -70.09 -11.43 60.88 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 123.043 0.537 . . . . 73.02 111.176 170.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 81.54 41.68 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 126.562 1.945 . . . . 74.33 108.452 176.045 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 97.7 m -117.16 146.82 42.96 Favored 'General case' 0 N--CA 1.486 1.329 0 CA-C-N 113.498 -1.683 . . . . 64.21 110.545 -167.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.443 ' HG3' ' N ' ' A' ' 40' ' ' ARG . 8.5 pt20 -108.25 -49.93 3.12 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.834 0.853 . . . . 63.43 112.427 -172.8 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.443 ' N ' ' HG3' ' A' ' 39' ' ' GLN . 41.7 ttm180 -83.42 141.86 31.4 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.058 0.543 . . . . 62.41 110.439 -172.364 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -135.19 162.29 32.96 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 124.554 1.142 . . . . 75.21 111.497 -161.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.31 -11.46 49.43 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-N 115.643 -0.708 . . . . 74.34 110.852 -177.33 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.608 ' HE ' ' HB2' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -38.16 -51.25 1.44 Allowed 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 126.981 2.112 . . . . 73.33 111.164 172.292 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.608 ' HB2' ' HE ' ' A' ' 43' ' ' ARG . 13.2 t80 . . . . . 0 N--CA 1.472 0.625 0 CA-C-N 115.113 -0.949 . . . . 74.13 109.196 174.664 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 . . . . . 0 CA--C 1.531 0.221 0 CA-C-O 121.683 0.754 . . . . 51.12 109.849 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 102' ' ' PHE . . . . . 0.438 ' O ' ' HG ' ' B' ' 105' ' ' LEU . 85.8 m-85 -98.89 -4.35 33.15 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 114.436 -1.256 . . . . 73.51 110.3 177.119 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 103' ' ' LYS . . . . . 0.462 ' O ' ' HG2' ' B' ' 107' ' ' GLU . 0.0 OUTLIER -59.78 -33.44 71.71 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 109.331 -0.618 . . . . 65.14 109.331 176.15 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 104' ' ' LYS . . . . . 0.442 ' O ' ' HG2' ' B' ' 108' ' ' GLN . 0.0 OUTLIER -70.02 -35.73 74.56 Favored 'General case' 0 C--O 1.217 -0.637 0 CA-C-N 114.796 -1.093 . . . . 43.01 110.755 179.231 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 105' ' ' LEU . . . . . 0.438 ' HG ' ' O ' ' B' ' 102' ' ' PHE . 0.5 OUTLIER -61.07 -41.73 97.19 Favored 'General case' 0 C--N 1.371 1.525 0 N-CA-C 108.403 -0.962 . . . . 74.42 108.403 178.252 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 106' ' ' TYR . . . . . 0.518 ' CD1' HD11 ' A' ' 9' ' ' ILE . 36.0 t80 -57.56 -46.54 83.81 Favored 'General case' 0 C--N 1.355 0.819 0 O-C-N 124.447 1.092 . . . . 75.12 110.37 177.05 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 107' ' ' GLU . . . . . 0.462 ' HG2' ' O ' ' B' ' 103' ' ' LYS . 17.4 mm-40 -65.91 -42.98 89.47 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 115.581 -0.736 . . . . 74.24 112.14 -178.571 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 108' ' ' GLN . . . . . 0.442 ' HG2' ' O ' ' B' ' 104' ' ' LYS . 6.8 mm-40 -65.99 -52.81 46.08 Favored 'General case' 0 N--CA 1.48 1.026 0 O-C-N 123.294 0.371 . . . . 64.41 111.275 -174.768 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 11.5 mt -71.08 -38.18 70.39 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 CA-C-N 116.391 -0.368 . . . . 70.42 111.04 -175.281 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 110' ' ' LEU . . . . . 0.565 ' HB2' HD13 ' A' ' 9' ' ' ILE . 17.5 tp -76.48 -25.23 54.08 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 122.459 0.304 . . . . 75.34 111.424 -178.703 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -63.91 -44.0 94.27 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 109.373 -0.602 . . . . 55.21 109.373 167.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 112' ' ' GLU . . . . . 0.406 ' O ' ' HG ' ' B' ' 116' ' ' LEU . 5.0 tp10 -67.37 -38.95 85.58 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 115.179 -0.919 . . . . 51.11 110.364 177.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -66.86 -37.07 83.75 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 124.824 1.25 . . . . 70.11 110.284 -177.101 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -59.77 -53.81 53.64 Favored 'General case' 0 C--N 1.353 0.743 0 CA-C-N 114.907 -1.042 . . . . 72.45 110.03 171.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 20.8 ttpt -56.31 -42.84 78.25 Favored 'General case' 0 C--N 1.35 0.606 0 CA-C-N 115.605 -0.725 . . . . 62.35 110.13 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 116' ' ' LEU . . . . . 0.42 ' HB3' ' HB3' ' A' ' 16' ' ' LEU . 84.4 mt -65.02 -30.09 71.05 Favored 'General case' 0 C--N 1.349 0.57 0 CA-C-N 115.103 -0.953 . . . . 73.32 111.377 -178.827 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.4 -40.99 73.59 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 123.387 0.675 . . . . 74.4 110.344 178.637 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -76.47 -46.08 28.38 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 115.591 -0.731 . . . . 73.44 111.637 -177.483 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -65.38 -35.7 81.76 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.116 0.566 . . . . 72.23 110.846 -178.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.75 -46.42 75.45 Favored 'General case' 0 C--N 1.36 1.045 0 N-CA-C 109.255 -0.646 . . . . 73.43 109.255 177.25 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 57.9 t-80 -62.98 -34.47 77.6 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-O 121.21 0.529 . . . . 55.31 110.844 -179.163 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 122' ' ' ASP . . . . . 0.488 ' O ' ' HG2' ' B' ' 126' ' ' GLU . 23.3 t70 -65.85 -50.16 65.58 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 114.565 -1.198 . . . . 73.0 109.907 176.314 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 123' ' ' THR . . . . . 0.569 HG22 HG22 ' A' ' 23' ' ' THR . 24.3 m -69.58 -26.42 64.46 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 123.375 0.67 . . . . 63.03 110.995 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 124' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -74.14 -36.17 64.14 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.569 0.748 . . . . 64.34 110.059 178.509 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 125' ' ' MET . . . . . . . . . . . . . 24.7 ptt? -81.06 -24.7 37.64 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 122.079 0.151 . . . . 72.32 110.658 179.424 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 126' ' ' GLU . . . . . 0.488 ' HG2' ' O ' ' B' ' 122' ' ' ASP . 19.5 mm-40 -69.02 -41.8 77.23 Favored 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 109.22 -0.659 . . . . 52.25 109.22 170.323 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 127' ' ' LEU . . . . . 0.439 HD13 ' HG3' ' A' ' 26' ' ' GLU . 57.9 tp -59.17 -43.45 92.15 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 114.92 -1.036 . . . . 55.32 110.577 173.065 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 128' ' ' THR . . . . . . . . . . . . . 91.4 m -63.9 -37.79 88.7 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.899 0.879 . . . . 75.33 110.694 177.086 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -63.26 -42.87 99.22 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.644 1.178 . . . . 61.24 110.459 177.233 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 130' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' B' ' 126' ' ' GLU . 96.8 mt -75.06 -36.39 61.81 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 115.517 -0.765 . . . . 54.04 111.837 -175.412 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.55 -27.32 55.87 Favored 'General case' 0 N--CA 1.487 1.412 0 CA-C-N 117.857 0.299 . . . . 70.42 111.175 179.538 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 58.1 tp -63.98 -49.26 73.19 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 108.962 -0.755 . . . . 65.11 108.962 170.615 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 133' ' ' GLN . . . . . . . . . . . . . 61.6 mt-30 -65.12 -30.6 71.55 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-N 115.314 -0.857 . . . . 73.5 111.003 175.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 19.5 tp -60.59 -49.96 75.45 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 124.124 0.969 . . . . 64.43 110.153 -176.452 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 135' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -70.14 -29.54 66.49 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 114.345 -1.298 . . . . 71.51 111.389 177.448 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 58.9 mtpt -72.27 -30.74 65.13 Favored 'General case' 0 N--CA 1.484 1.226 0 N-CA-C 112.602 0.593 . . . . 72.03 112.602 174.224 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -79.44 -65.96 0.93 Allowed 'General case' 0 N--CA 1.481 1.099 0 CA-C-O 121.143 0.497 . . . . 62.03 110.034 -176.397 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 138' ' ' THR . . . . . 0.462 HG23 ' H ' ' B' ' 139' ' ' GLN . 0.0 OUTLIER -95.1 -80.56 0.41 Allowed 'General case' 0 CA--C 1.551 1.003 0 CA-C-N 115.296 -0.866 . . . . 73.32 109.214 176.898 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 139' ' ' GLN . . . . . 0.462 ' H ' HG23 ' B' ' 138' ' ' THR . 0.0 OUTLIER 179.59 -26.41 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 125.134 1.374 . . . . 74.33 110.179 179.473 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 140' ' ' ARG . . . . . . . . . . . . . 23.2 ttt180 70.31 135.42 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.76 0 C-N-CA 125.114 1.366 . . . . 73.31 110.923 179.208 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 5.7 pm0 -72.87 153.06 41.2 Favored 'General case' 0 N--CA 1.486 1.354 0 N-CA-C 109.762 -0.458 . . . . 64.31 109.762 175.41 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.66 80.65 1.34 Allowed 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.202 1.001 . . . . 74.22 110.191 -174.559 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 67.1 mtp180 -59.68 -47.45 85.57 Favored 'General case' 0 CA--C 1.549 0.924 0 CA-C-N 114.37 -1.286 . . . . 54.53 110.591 177.073 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 144' ' ' PHE . . . . . . . . . . . . . 64.5 t80 . . . . . 0 CA--C 1.552 1.051 0 C-N-CA 124.481 1.112 . . . . 72.13 108.219 172.842 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 20.9 p-10 . . . . . 0 N--CA 1.48 1.048 0 CA-C-O 120.783 0.325 . . . . 75.11 111.342 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.426 ' HD1' HD22 ' A' ' 5' ' ' LEU . 51.5 m-85 -66.81 -13.35 61.41 Favored 'General case' 0 N--CA 1.484 1.226 0 N-CA-C 114.356 1.243 . . . . 65.4 114.356 -174.458 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.472 ' HD3' ' H ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -65.99 -36.97 84.74 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-O 121.275 0.56 . . . . 74.2 109.719 177.069 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.472 ' H ' ' HD3' ' A' ' 3' ' ' LYS . 0.1 OUTLIER -83.95 -27.59 28.4 Favored 'General case' 0 C--O 1.211 -0.95 0 CA-C-N 115.126 -0.943 . . . . 61.31 109.082 -178.121 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.426 HD22 ' HD1' ' A' ' 2' ' ' PHE . 19.4 tp -56.03 -46.14 78.95 Favored 'General case' 0 N--CA 1.488 1.446 0 CA-C-O 121.649 0.738 . . . . 70.4 109.794 176.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 22.4 t80 -56.26 -51.34 68.51 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 113.484 -1.689 . . . . 75.52 110.051 172.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -58.71 -36.44 74.27 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.216 1.007 . . . . 75.41 112.858 -178.711 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.424 ' HG2' ' O ' ' A' ' 4' ' ' LYS . 11.8 mm-40 -65.75 -63.91 0.98 Allowed 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 122.803 0.441 . . . . 63.41 111.593 -175.38 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.439 HD11 ' CD2' ' B' ' 106' ' ' TYR . 19.8 mt -63.44 -40.5 89.27 Favored 'Isoleucine or valine' 0 C--N 1.362 1.111 0 O-C-N 123.208 0.318 . . . . 72.51 110.95 179.72 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.16 -29.9 69.73 Favored 'General case' 0 N--CA 1.496 1.838 0 C-N-CA 123.078 0.551 . . . . 72.22 110.623 -177.021 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.78 -48.82 80.09 Favored 'General case' 0 N--CA 1.482 1.139 0 N-CA-C 109.194 -0.669 . . . . 75.33 109.194 174.439 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.535 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 5.0 tp10 -65.52 -39.94 92.39 Favored 'General case' 0 CA--C 1.55 0.972 0 CA-C-N 114.691 -1.14 . . . . 62.34 110.975 175.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -68.9 -41.05 78.76 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 124.487 1.115 . . . . 74.21 110.605 -171.055 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -75.3 -30.34 60.33 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 114.916 -1.038 . . . . 70.42 109.17 178.562 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.9 ttpt -63.54 -41.71 98.45 Favored 'General case' 0 C--N 1.362 1.113 0 N-CA-C 108.485 -0.931 . . . . 73.14 108.485 174.598 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' A' ' 12' ' ' GLU . 95.0 mt -67.16 -30.64 70.66 Favored 'General case' 0 C--N 1.362 1.113 0 C-N-CA 124.213 1.005 . . . . 71.44 111.009 179.71 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.408 ' HA ' HD23 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -67.38 -38.54 84.9 Favored 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 123.45 0.7 . . . . 72.15 110.43 173.558 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.41 -46.46 40.06 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 115.351 -0.841 . . . . 72.02 111.551 -175.041 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.524 HE22 HD22 ' B' ' 120' ' ' LEU . 0.0 OUTLIER -74.28 -28.16 61.07 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.76 0.824 . . . . 74.33 112.1 -179.107 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.444 ' HB3' HE22 ' B' ' 119' ' ' GLN . 1.1 pp -66.22 -44.96 82.31 Favored 'General case' 0 N--CA 1.484 1.263 0 N-CA-C 108.292 -1.003 . . . . 63.12 108.292 173.556 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -60.51 -42.14 95.79 Favored 'General case' 0 C--N 1.352 0.686 0 O-C-N 123.817 0.698 . . . . 70.11 110.45 -179.341 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -59.16 -53.37 59.05 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.886 0.874 . . . . 73.01 110.502 176.476 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.506 HG22 HG22 ' B' ' 123' ' ' THR . 24.8 m -69.59 -30.39 68.15 Favored 'General case' 0 CA--C 1.55 0.947 0 O-C-N 123.969 0.793 . . . . 73.22 111.403 -175.625 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -70.27 -51.51 29.98 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.002 0.521 . . . . 73.42 109.767 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 25.8 mmt -70.11 -40.97 74.59 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 115.817 -0.629 . . . . 71.51 112.144 -175.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.465 ' HG2' ' HA ' ' A' ' 23' ' ' THR . 1.5 pt-20 -66.6 -35.21 79.66 Favored 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 110.184 -0.302 . . . . 72.22 110.184 178.435 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.74 HD11 ' HB2' ' B' ' 126' ' ' GLU . 8.5 tt -60.8 -47.76 84.88 Favored 'General case' 0 C--N 1.362 1.118 0 O-C-N 123.972 0.795 . . . . 74.01 109.634 172.629 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 81.1 m -55.68 -47.41 76.79 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 123.994 0.918 . . . . 73.04 111.017 -177.451 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -61.79 -49.18 77.36 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 124.305 1.042 . . . . 74.3 110.833 176.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.673 ' HB3' HD21 ' B' ' 130' ' ' LEU . 16.9 tp -70.13 -36.2 74.63 Favored 'General case' 0 CA--C 1.555 1.149 0 CA-C-N 114.724 -1.125 . . . . 74.45 110.828 -170.217 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.9 -29.89 39.99 Favored 'General case' 0 N--CA 1.494 1.736 0 C-N-CA 123.202 0.601 . . . . 74.4 111.134 -179.05 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.3 tp -56.53 -63.03 1.33 Allowed 'General case' 0 C--N 1.347 0.489 0 O-C-N 124.258 0.973 . . . . 72.33 109.305 175.342 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -64.36 -32.23 73.76 Favored 'General case' 0 CA--C 1.55 0.974 0 CA-C-N 115.55 -0.75 . . . . 64.12 111.55 -178.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.438 HD12 HD13 ' B' ' 130' ' ' LEU . 0.1 OUTLIER -47.52 -69.66 0.12 Allowed 'General case' 0 N--CA 1.494 1.765 0 C-N-CA 124.086 0.954 . . . . 74.32 109.695 178.154 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.65 -17.38 59.19 Favored 'General case' 0 C--N 1.356 0.862 0 O-C-N 125.953 2.033 . . . . 75.35 112.716 -171.378 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -68.88 -13.51 62.47 Favored 'General case' 0 N--CA 1.491 1.619 0 C-N-CA 122.579 0.352 . . . . 63.53 110.383 163.027 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 82.01 63.74 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 126.228 1.811 . . . . 52.33 108.511 171.667 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.652 HG23 ' HB ' ' B' ' 138' ' ' THR . 13.1 t -55.67 150.36 12.64 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-N 112.623 -2.08 . . . . 74.31 113.632 -171.541 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -113.53 -12.46 12.9 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 114.148 -1.387 . . . . 73.33 110.589 178.376 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.472 ' HG3' ' HG2' ' B' ' 140' ' ' ARG . 55.8 ttt-85 -175.92 139.02 0.37 Allowed 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.787 1.235 . . . . 75.3 108.694 -177.513 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 16.3 pm0 -116.19 -53.22 2.56 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 108.236 -1.024 . . . . 65.01 108.236 169.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 42.46 44.17 3.39 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 126.241 1.816 . . . . 74.25 112.301 177.677 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 76.7 mtm180 -63.84 -43.58 95.75 Favored 'General case' 0 N--CA 1.481 1.12 0 CA-C-N 115.519 -0.764 . . . . 72.13 110.239 -175.038 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 70.2 t80 . . . . . 0 N--CA 1.482 1.134 0 CA-C-N 115.447 -0.797 . . . . 64.54 109.305 169.294 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 . . . . . 0 N--CA 1.472 0.662 0 N-CA-C 111.662 0.245 . . . . 73.22 111.662 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 102' ' ' PHE . . . . . 0.48 ' HD2' HD23 ' B' ' 105' ' ' LEU . 88.6 m-85 -72.94 -2.92 22.82 Favored 'General case' 0 N--CA 1.485 1.316 0 N-CA-C 113.489 0.922 . . . . 71.43 113.489 -176.523 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 103' ' ' LYS . . . . . 0.441 ' HD3' ' N ' ' B' ' 104' ' ' LYS . 0.0 OUTLIER -60.33 -32.12 70.94 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-O 121.379 0.609 . . . . 70.53 109.807 176.551 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 104' ' ' LYS . . . . . 0.441 ' N ' ' HD3' ' B' ' 103' ' ' LYS . 0.0 OUTLIER -71.86 -36.21 70.07 Favored 'General case' 0 C--O 1.214 -0.795 0 CA-C-N 114.583 -1.19 . . . . 52.23 110.611 179.764 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 105' ' ' LEU . . . . . 0.48 HD23 ' HD2' ' B' ' 102' ' ' PHE . 0.4 OUTLIER -60.34 -43.52 96.37 Favored 'General case' 0 C--N 1.375 1.691 0 N-CA-C 107.873 -1.158 . . . . 73.13 107.873 179.87 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 106' ' ' TYR . . . . . 0.439 ' CD2' HD11 ' A' ' 9' ' ' ILE . 29.6 t80 -57.5 -47.58 81.54 Favored 'General case' 0 C--N 1.358 0.943 0 CA-C-N 114.757 -1.11 . . . . 62.54 109.836 176.728 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 107' ' ' GLU . . . . . 0.409 ' HG2' ' O ' ' B' ' 103' ' ' LYS . 52.6 mm-40 -64.28 -42.87 96.21 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.814 0.845 . . . . 71.54 113.039 -178.184 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 108' ' ' GLN . . . . . 0.431 ' HG2' ' O ' ' B' ' 104' ' ' LYS . 5.5 mm100 -69.15 -52.3 29.51 Favored 'General case' 0 N--CA 1.484 1.227 0 O-C-N 123.209 0.318 . . . . 73.25 110.788 -172.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 109' ' ' ILE . . . . . 0.404 HG22 HG22 ' A' ' 9' ' ' ILE . 23.6 mt -67.55 -35.01 71.79 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.012 0 O-C-N 123.666 0.604 . . . . 75.34 110.501 -177.396 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -73.26 -32.63 64.81 Favored 'General case' 0 N--CA 1.491 1.623 0 C-N-CA 123.266 0.626 . . . . 73.52 110.384 178.082 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.69 -46.07 83.91 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 122.647 0.379 . . . . 74.21 110.199 174.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 39.8 tp10 -66.38 -36.23 82.34 Favored 'General case' 0 C--O 1.21 -0.999 0 CA-C-N 115.568 -0.742 . . . . 73.52 110.223 175.295 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -61.48 -42.22 98.46 Favored 'General case' 0 N--CA 1.495 1.782 0 C-N-CA 124.574 1.15 . . . . 73.24 111.002 178.652 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -68.36 -46.01 71.24 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.791 0.836 . . . . 71.44 110.386 176.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 8.4 ttpt -56.87 -40.72 76.69 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-N 115.628 -0.714 . . . . 72.2 110.369 176.677 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 116' ' ' LEU . . . . . 0.413 ' HA ' ' HG3' ' B' ' 119' ' ' GLN . 83.1 mt -69.05 -34.99 76.08 Favored 'General case' 0 C--N 1.35 0.617 0 CA-C-N 114.906 -1.043 . . . . 65.12 110.63 178.18 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.35 -37.54 87.36 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.333 0.653 . . . . 73.24 110.014 178.685 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -76.08 -44.9 36.71 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.183 0.993 . . . . 75.31 111.199 -176.684 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 119' ' ' GLN . . . . . 0.444 HE22 ' HB3' ' A' ' 20' ' ' LEU . 5.3 pp0? -69.28 -39.26 78.45 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.16 0.584 . . . . 72.4 111.199 -177.838 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 120' ' ' LEU . . . . . 0.524 HD22 HE22 ' A' ' 19' ' ' GLN . 1.6 pp -69.52 -39.54 77.46 Favored 'General case' 0 C--N 1.358 0.973 0 N-CA-C 108.823 -0.806 . . . . 72.34 108.823 179.581 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 121' ' ' HIS . . . . . 0.541 ' O ' ' HG2' ' B' ' 125' ' ' MET . 15.1 t-80 -55.55 -48.24 75.07 Favored 'General case' 0 C--N 1.357 0.892 0 O-C-N 124.226 0.954 . . . . 72.34 109.731 176.023 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 122' ' ' ASP . . . . . 0.482 ' O ' ' HG3' ' B' ' 126' ' ' GLU . 22.2 t70 -57.16 -49.69 75.17 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 124.238 0.961 . . . . 71.32 110.343 177.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 123' ' ' THR . . . . . 0.506 HG22 HG22 ' A' ' 23' ' ' THR . 13.9 m -60.92 -36.53 79.54 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.52 0.728 . . . . 54.44 111.356 -179.545 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 124' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -72.26 -35.07 68.67 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 122.961 0.504 . . . . 70.11 109.994 -179.54 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 125' ' ' MET . . . . . 0.541 ' HG2' ' O ' ' B' ' 121' ' ' HIS . 92.4 mmm -62.92 -45.58 91.85 Favored 'General case' 0 C--N 1.359 0.998 0 C-N-CA 123.048 0.539 . . . . 74.41 110.573 176.131 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 126' ' ' GLU . . . . . 0.74 ' HB2' HD11 ' A' ' 27' ' ' LEU . 9.6 mt-10 -62.67 -43.86 97.72 Favored 'General case' 0 N--CA 1.483 1.191 0 N-CA-C 108.708 -0.849 . . . . 71.21 108.708 178.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 127' ' ' LEU . . . . . 0.506 HD22 HG23 ' A' ' 23' ' ' THR . 37.3 tp -64.88 -27.48 68.89 Favored 'General case' 0 CA--C 1.556 1.187 0 O-C-N 124.321 1.013 . . . . 64.21 111.557 179.195 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 128' ' ' THR . . . . . . . . . . . . . 99.3 m -73.54 -44.76 56.77 Favored 'General case' 0 N--CA 1.495 1.824 0 C-N-CA 123.24 0.616 . . . . 73.25 110.071 176.738 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 129' ' ' ASP . . . . . 0.41 ' O ' ' HG3' ' B' ' 133' ' ' GLN . 52.9 m-20 -61.14 -45.24 95.46 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.549 0.739 . . . . 71.15 109.699 175.49 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 130' ' ' LEU . . . . . 0.673 HD21 ' HB3' ' A' ' 30' ' ' LEU . 4.8 tp -63.24 -46.05 88.73 Favored 'General case' 0 C--O 1.215 -0.726 0 C-N-CA 125.735 1.614 . . . . 74.52 110.271 -178.092 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 131' ' ' LYS . . . . . 0.424 ' HE2' ' O ' ' B' ' 143' ' ' ARG . 24.0 tptp -51.61 -46.61 63.65 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 125.41 1.484 . . . . 73.45 111.024 174.654 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 62.9 tp -65.97 -49.68 67.0 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 115.358 -0.837 . . . . 71.34 110.94 178.434 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 133' ' ' GLN . . . . . 0.438 ' HB2' HD11 ' A' ' 34' ' ' LEU . 61.0 mt-30 -68.53 -27.38 66.05 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.492 0.717 . . . . 73.25 111.269 -175.811 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -72.4 -48.24 42.97 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.116 0.966 . . . . 54.31 108.432 -176.694 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 135' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -69.48 -22.63 63.61 Favored 'General case' 0 CA--C 1.551 0.993 0 O-C-N 123.4 0.438 . . . . 73.03 111.138 177.634 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -75.15 -32.92 61.44 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 122.793 0.437 . . . . 63.11 110.523 170.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -72.28 -48.56 41.47 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.18 0.592 . . . . 62.52 110.937 179.329 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 138' ' ' THR . . . . . 0.652 ' HB ' HG23 ' A' ' 38' ' ' THR . 12.4 t -103.48 160.32 14.82 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.396 0.678 . . . . 73.23 111.872 -174.31 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 2.3 pp0? -94.44 -17.24 22.67 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.764 1.226 . . . . 72.51 110.068 169.338 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 140' ' ' ARG . . . . . 0.508 ' HG3' ' NE2' ' B' ' 141' ' ' GLN . 12.6 tpt180 -67.01 165.96 14.64 Favored 'General case' 0 CA--C 1.555 1.152 0 C-N-CA 124.177 0.991 . . . . 72.2 110.106 179.134 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 141' ' ' GLN . . . . . 0.508 ' NE2' ' HG3' ' B' ' 140' ' ' ARG . 0.0 OUTLIER -45.86 134.62 7.68 Favored 'General case' 0 C--N 1.372 1.574 0 CA-C-O 122.062 0.934 . . . . 71.42 112.697 -165.483 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.27 0.51 56.73 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 114.056 -1.429 . . . . 53.23 110.466 -174.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 143' ' ' ARG . . . . . 0.424 ' O ' ' HE2' ' B' ' 131' ' ' LYS . 99.6 mtt180 -63.07 -69.76 0.25 Allowed 'General case' 0 C--N 1.353 0.746 0 C-N-CA 124.746 1.218 . . . . 74.42 111.791 -178.317 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 144' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.562 1.409 0 C-N-CA 123.236 0.615 . . . . 74.45 109.872 -172.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.485 ' O ' ' HG3' ' A' ' 4' ' ' LYS . 10.2 m-20 . . . . . 0 N--CA 1.491 1.592 0 CA-C-O 121.378 0.608 . . . . 73.44 110.858 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -73.5 -13.51 61.06 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 113.803 1.038 . . . . 74.13 113.803 -169.534 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.605 ' HD3' ' H ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -71.6 -37.24 70.99 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-O 121.804 0.812 . . . . 73.22 109.025 179.226 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.605 ' H ' ' HD3' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -85.41 -22.62 28.27 Favored 'General case' 0 C--O 1.211 -0.957 0 CA-C-N 114.727 -1.124 . . . . 73.52 109.086 -178.597 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.432 HD21 ' HB2' ' B' ' 106' ' ' TYR . 33.3 tp -54.54 -44.25 72.66 Favored 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 109.594 -0.521 . . . . 70.01 109.594 172.197 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -55.89 -53.36 57.77 Favored 'General case' 0 C--N 1.356 0.849 0 CA-C-N 114.466 -1.243 . . . . 73.34 109.886 171.531 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 -53.78 -38.2 64.23 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.921 0.888 . . . . 75.31 112.443 -179.412 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.44 ' HG2' ' O ' ' A' ' 4' ' ' LYS . 12.3 mm-40 -64.98 -69.69 0.28 Allowed 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.469 0.708 . . . . 74.31 111.811 -174.429 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.576 HD11 ' CD2' ' B' ' 106' ' ' TYR . 17.5 mt -59.28 -41.07 82.94 Favored 'Isoleucine or valine' 0 C--N 1.359 0.988 0 O-C-N 123.713 0.633 . . . . 61.31 111.161 -179.789 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -67.47 -31.69 72.02 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.314 0.646 . . . . 73.33 111.138 -176.359 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.17 -45.34 88.84 Favored 'General case' 0 N--CA 1.483 1.191 0 CA-C-N 118.087 0.403 . . . . 74.02 110.137 174.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.475 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 4.6 tp10 -66.42 -41.73 88.81 Favored 'General case' 0 C--O 1.213 -0.866 0 CA-C-N 115.969 -0.559 . . . . 75.41 110.386 176.384 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -64.31 -42.16 96.47 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 125.393 1.477 . . . . 54.11 110.432 -176.274 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.477 ' HA ' ' HE2' ' A' ' 17' ' ' LYS . 2.9 tt0 -61.0 -49.46 77.34 Favored 'General case' 0 C--O 1.24 0.588 0 C-N-CA 124.823 1.249 . . . . 74.03 109.653 175.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.5 ttpt -56.57 -43.36 79.95 Favored 'General case' 0 C--O 1.217 -0.613 0 O-C-N 124.44 1.088 . . . . 72.03 109.959 177.307 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' ' 12' ' ' GLU . 94.2 mt -65.3 -29.62 70.39 Favored 'General case' 0 C--N 1.357 0.91 0 C-N-CA 124.027 0.931 . . . . 71.12 111.388 -177.289 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.481 ' HA ' HD23 ' A' ' 20' ' ' LEU . 49.0 mtmt -73.96 -35.13 64.48 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 122.808 0.443 . . . . 75.13 111.038 174.437 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.99 -49.3 46.77 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.05 0.54 . . . . 53.03 110.617 -177.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -70.29 -32.7 70.6 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.515 0.726 . . . . 65.51 112.153 -179.393 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.481 HD23 ' HA ' ' A' ' 17' ' ' LYS . 0.6 OUTLIER -66.19 -41.17 90.61 Favored 'General case' 0 N--CA 1.483 1.203 0 N-CA-C 108.748 -0.834 . . . . 74.05 108.748 173.727 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 14.0 t-80 -60.06 -36.41 77.27 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.928 0.891 . . . . 72.1 110.307 -178.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.41 ' HA ' ' HG2' ' A' ' 25' ' ' MET . 70.9 m-20 -71.45 -45.41 62.7 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 123.811 0.695 . . . . 75.42 111.518 175.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.521 HG21 ' ND2' ' B' ' 124' ' ' ASN . 12.0 m -67.86 -29.64 68.82 Favored 'General case' 0 CA--C 1.545 0.759 0 O-C-N 123.38 0.425 . . . . 73.01 111.282 -178.84 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.412 ' OD1' HG21 ' B' ' 123' ' ' THR . 3.6 m-20 -75.26 -45.21 41.42 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.794 0.838 . . . . 73.01 109.638 179.37 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.41 ' HG2' ' HA ' ' A' ' 22' ' ' ASP . 22.5 ptp -69.06 -36.99 78.28 Favored 'General case' 0 C--N 1.356 0.865 0 O-C-N 123.429 0.456 . . . . 52.32 110.265 -175.429 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.523 ' O ' ' HB2' ' A' ' 30' ' ' LEU . 18.4 pt-20 -78.51 -31.03 47.46 Favored 'General case' 0 C--O 1.203 -1.382 0 O-C-N 123.756 0.66 . . . . 74.13 110.13 -178.597 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 48.8 tp -60.47 -48.33 82.24 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.708 0.803 . . . . 74.23 111.259 171.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 35.5 m -65.53 -41.29 93.24 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.377 0.671 . . . . 73.11 110.602 179.123 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -69.63 -33.42 72.61 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.91 0.884 . . . . 72.31 110.748 178.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.556 HD23 ' HB3' ' B' ' 130' ' ' LEU . 11.9 tp -67.39 -43.23 81.85 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.784 0.834 . . . . 75.01 108.771 179.644 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.441 ' HA ' HD11 ' B' ' 130' ' ' LEU . 0.0 OUTLIER -70.4 -31.07 68.14 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.757 1.223 . . . . 71.31 110.084 -179.535 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 46.3 tp -63.85 -59.38 4.6 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 115.266 -0.879 . . . . 75.12 109.856 -179.016 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.45 ' HA ' ' HB2' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -75.52 -19.69 59.19 Favored 'General case' 0 CA--C 1.554 1.117 0 CA-C-N 116.201 -0.454 . . . . 74.24 111.879 179.773 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 25.6 tp -51.77 -62.29 1.72 Allowed 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 123.231 0.612 . . . . 54.41 110.199 170.19 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -71.21 -24.52 62.23 Favored 'General case' 0 C--N 1.359 0.996 0 O-C-N 125.466 1.729 . . . . 72.04 111.271 -176.365 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.45 ' HB2' ' HA ' ' A' ' 33' ' ' GLN . 99.3 mttt -71.06 -7.07 43.87 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 122.177 0.191 . . . . 74.03 111.094 168.503 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 82.48 68.12 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.2 1.4 . . . . 64.22 108.038 171.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.631 HG23 HG22 ' B' ' 138' ' ' THR . 9.5 t -36.88 171.19 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.839 0 CA-C-N 112.681 -2.054 . . . . 41.13 116.343 179.414 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.621 ' HA ' HG21 ' B' ' 138' ' ' THR . 1.6 pp0? -143.37 -34.75 0.41 Allowed 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 114.422 -1.263 . . . . 71.44 109.164 169.143 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.517 ' HG3' ' HB3' ' B' ' 141' ' ' GLN . 30.9 ttt-85 -159.45 151.07 20.25 Favored 'General case' 0 C--N 1.35 0.601 0 C-N-CA 125.208 1.403 . . . . 71.12 108.51 -178.324 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.418 ' HB3' HD21 ' B' ' 134' ' ' LEU . 17.1 pm0 -119.83 150.91 39.67 Favored 'General case' 0 C--O 1.238 0.466 0 C-N-CA 123.535 0.734 . . . . 73.32 109.098 175.257 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -127.91 90.29 3.07 Favored 'General case' 0 C--O 1.238 0.455 0 N-CA-C 108.077 -1.082 . . . . 74.31 108.077 176.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 50.9 mtp180 -78.7 -51.92 9.13 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 115.267 -0.879 . . . . 74.51 109.467 176.39 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 68.4 t80 . . . . . 0 C--O 1.239 0.513 0 C-N-CA 124.405 1.082 . . . . 71.44 109.578 176.643 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 101' ' ' ASP . . . . . 0.703 ' N ' ' HZ2' ' B' ' 103' ' ' LYS . 24.0 m-20 . . . . . 0 N--CA 1.468 0.473 0 CA-C-O 120.759 0.314 . . . . 65.21 110.796 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 102' ' ' PHE . . . . . 0.471 ' HD1' HD23 ' B' ' 105' ' ' LEU . 97.8 m-85 -118.54 -1.6 11.16 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.177 0.991 . . . . 73.13 111.731 -177.556 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 103' ' ' LYS . . . . . 0.703 ' HZ2' ' N ' ' B' ' 101' ' ' ASP . 0.0 OUTLIER -61.87 -34.26 75.68 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 108.861 -0.792 . . . . 74.52 108.861 172.884 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 104' ' ' LYS . . . . . 0.449 ' O ' ' HG2' ' B' ' 108' ' ' GLN . 0.0 OUTLIER -59.32 -42.63 91.87 Favored 'General case' 0 C--N 1.359 0.985 0 CA-C-N 114.808 -1.087 . . . . 72.42 111.209 172.859 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 105' ' ' LEU . . . . . 0.471 HD23 ' HD1' ' B' ' 102' ' ' PHE . 0.4 OUTLIER -61.99 -41.61 98.23 Favored 'General case' 0 C--N 1.381 1.94 0 N-CA-C 108.728 -0.842 . . . . 73.52 108.728 -176.256 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 106' ' ' TYR . . . . . 0.576 ' CD2' HD11 ' A' ' 9' ' ' ILE . 49.6 t80 -55.12 -49.88 70.64 Favored 'General case' 0 C--N 1.366 1.293 0 O-C-N 124.77 1.293 . . . . 74.44 108.986 177.334 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -63.91 -41.02 97.78 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 113.096 0.776 . . . . 75.42 113.096 -178.41 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 108' ' ' GLN . . . . . 0.449 ' HG2' ' O ' ' B' ' 104' ' ' LYS . 12.9 mm-40 -64.77 -58.23 6.81 Favored 'General case' 0 N--CA 1.483 1.194 0 O-C-N 123.404 0.44 . . . . 75.44 110.607 -174.506 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 15.7 mt -67.63 -38.62 80.75 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.974 0 CA-C-N 115.469 -0.787 . . . . 52.53 110.811 -176.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 110' ' ' LEU . . . . . 0.401 ' HB2' HD13 ' A' ' 9' ' ' ILE . 1.5 tm? -68.87 -33.17 73.35 Favored 'General case' 0 N--CA 1.492 1.633 0 C-N-CA 123.481 0.712 . . . . 71.31 110.747 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.13 -41.75 97.1 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-O 120.973 0.416 . . . . 64.03 109.919 175.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 112' ' ' GLU . . . . . 0.437 ' O ' ' HG ' ' B' ' 116' ' ' LEU . 8.8 tp10 -70.83 -37.91 73.2 Favored 'General case' 0 C--O 1.214 -0.807 0 CA-C-N 115.253 -0.885 . . . . 62.42 110.833 175.867 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -64.19 -43.58 94.62 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 124.825 1.25 . . . . 73.31 110.177 -177.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -54.28 -54.97 33.01 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.529 1.531 . . . . 73.43 109.955 172.534 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 20.4 ttpt -57.85 -39.31 77.4 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 114.257 -1.338 . . . . 61.21 110.339 -179.537 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 116' ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' B' ' 112' ' ' GLU . 69.9 mt -68.04 -30.59 69.85 Favored 'General case' 0 C--N 1.355 0.829 0 O-C-N 123.961 0.788 . . . . 71.14 111.636 -177.378 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -72.67 -37.37 67.93 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 120.787 0.327 . . . . 72.15 110.701 175.699 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -74.3 -39.98 62.55 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 116.033 -0.531 . . . . 43.12 111.314 -177.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 119' ' ' GLN . . . . . 0.423 ' HG3' ' HA ' ' B' ' 116' ' ' LEU . 5.2 pp0? -74.38 -35.58 63.52 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.231 0.612 . . . . 62.23 110.928 -177.813 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 1.4 pp -67.42 -42.22 83.56 Favored 'General case' 0 C--N 1.362 1.135 0 N-CA-C 109.387 -0.597 . . . . 75.55 109.387 178.173 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -58.92 -47.73 83.98 Favored 'General case' 0 C--N 1.36 1.039 0 O-C-N 123.671 0.607 . . . . 74.1 109.523 175.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 122' ' ' ASP . . . . . 0.44 ' O ' ' HG2' ' B' ' 126' ' ' GLU . 26.1 t70 -58.13 -42.01 84.91 Favored 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 125.115 1.366 . . . . 74.02 111.869 178.762 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 123' ' ' THR . . . . . 0.493 HG22 HG22 ' A' ' 23' ' ' THR . 81.7 m -73.43 -33.75 65.09 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.824 0.85 . . . . 74.22 110.791 -179.576 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 124' ' ' ASN . . . . . 0.521 ' ND2' HG21 ' A' ' 23' ' ' THR . 9.2 m-80 -73.54 -25.43 60.4 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.491 0.716 . . . . 65.12 110.427 175.804 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 125' ' ' MET . . . . . . . . . . . . . 7.8 mmt -70.7 -43.1 69.7 Favored 'General case' 0 C--N 1.352 0.677 0 C-N-CA 122.962 0.505 . . . . 64.04 109.881 170.565 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 126' ' ' GLU . . . . . 0.44 ' HG2' ' O ' ' B' ' 122' ' ' ASP . 50.6 mm-40 -59.43 -39.72 84.42 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.029 0.532 . . . . 72.43 110.288 173.841 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 127' ' ' LEU . . . . . 0.506 HD22 HG23 ' A' ' 23' ' ' THR . 40.7 tp -68.12 -41.39 81.79 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 124.658 1.183 . . . . 61.4 111.038 -178.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 128' ' ' THR . . . . . . . . . . . . . 90.5 m -66.63 -40.72 88.88 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.735 0.814 . . . . 64.52 110.184 176.272 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 129' ' ' ASP . . . . . 0.453 ' O ' ' HB3' ' B' ' 132' ' ' LEU . 15.0 t70 -65.98 -38.41 88.45 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 114.421 -1.263 . . . . 74.13 109.71 178.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 130' ' ' LEU . . . . . 0.556 ' HB3' HD23 ' A' ' 30' ' ' LEU . 0.4 OUTLIER -71.63 -47.12 56.6 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.38 0.672 . . . . 63.23 109.754 -176.214 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 131' ' ' LYS . . . . . 0.421 ' HA ' ' HB2' ' B' ' 134' ' ' LEU . 0.2 OUTLIER -67.64 -19.0 65.15 Favored 'General case' 0 C--N 1.357 0.925 0 O-C-N 123.431 0.457 . . . . 73.31 110.187 179.933 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 132' ' ' LEU . . . . . 0.453 ' HB3' ' O ' ' B' ' 129' ' ' ASP . 40.9 tp -68.02 -48.11 66.6 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.226 0.611 . . . . 73.15 110.695 169.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 133' ' ' GLN . . . . . . . . . . . . . 17.8 mp0 -64.33 -27.77 69.25 Favored 'General case' 0 N--CA 1.488 1.46 0 CA-C-N 118.308 0.504 . . . . 60.25 110.886 172.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 134' ' ' LEU . . . . . 0.509 ' HG ' HG21 ' A' ' 38' ' ' THR . 7.5 tp -66.86 -47.96 70.3 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.974 0.91 . . . . 64.03 110.196 -177.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 135' ' ' GLU . . . . . 0.537 ' HB3' ' HD3' ' B' ' 140' ' ' ARG . 10.7 pt-20 -72.03 -23.83 61.45 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 115.261 -0.881 . . . . 70.15 110.793 178.561 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -75.71 -33.94 60.36 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 122.751 0.42 . . . . 64.15 111.264 171.27 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -65.46 -34.58 78.61 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.184 0.594 . . . . 63.41 111.012 -178.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 138' ' ' THR . . . . . 0.631 HG22 HG23 ' A' ' 38' ' ' THR . 8.8 t -145.48 -65.65 0.32 Allowed 'General case' 0 CA--C 1.559 1.296 0 O-C-N 123.571 0.544 . . . . 75.43 110.936 171.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 139' ' ' GLN . . . . . 0.486 ' O ' ' HG2' ' B' ' 140' ' ' ARG . 0.0 OUTLIER 170.94 -18.64 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 125.508 1.523 . . . . 74.41 110.324 -174.484 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 140' ' ' ARG . . . . . 0.55 ' H ' HG23 ' B' ' 138' ' ' THR . 12.3 ptt-85 66.63 -176.88 0.19 Allowed 'General case' 0 N--CA 1.493 1.695 0 C-N-CA 126.226 1.81 . . . . 75.31 109.741 -175.043 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 141' ' ' GLN . . . . . 0.517 ' HB3' ' HG3' ' A' ' 40' ' ' ARG . 21.2 pt20 -58.09 -16.57 13.54 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 114.16 1.17 . . . . 73.0 114.16 178.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 57.7 16.42 3.47 Favored 'General case' 0 N--CA 1.5 2.067 0 C-N-CA 126.677 1.991 . . . . 72.13 113.378 170.314 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 80.7 mtp180 -69.4 -41.16 76.8 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.012 0.925 . . . . 72.54 110.134 177.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 144' ' ' PHE . . . . . . . . . . . . . 73.5 t80 . . . . . 0 C--O 1.251 1.18 0 C-N-CA 124.12 0.968 . . . . 72.44 108.449 176.641 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.573 ' O ' ' HG3' ' A' ' 4' ' ' LYS . 6.8 m-20 . . . . . 0 N--CA 1.492 1.67 0 N-CA-C 112.025 0.38 . . . . 73.15 112.025 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 40.8 m-85 -69.17 -11.55 60.9 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 113.054 0.761 . . . . 74.33 113.054 179.6 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.08 -45.86 72.64 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 109.496 -0.557 . . . . 71.25 109.496 174.279 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.573 ' HG3' ' O ' ' A' ' 1' ' ' ASP . 0.0 OUTLIER -74.15 -31.3 62.66 Favored 'General case' 0 C--O 1.204 -1.299 0 CA-C-O 119.14 -0.457 . . . . 74.03 109.793 -176.749 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 17.8 tp -52.32 -50.89 61.36 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-O 121.654 0.74 . . . . 72.3 110.392 174.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -59.57 -44.41 93.31 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 113.546 -1.661 . . . . 61.34 110.383 175.685 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -65.96 -36.2 82.68 Favored 'General case' 0 C--O 1.214 -0.771 0 C-N-CA 123.856 0.862 . . . . 64.42 112.795 -177.655 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.472 ' HG2' ' O ' ' A' ' 4' ' ' LYS . 8.7 mm-40 -65.62 -62.05 1.74 Allowed 'General case' 0 N--CA 1.487 1.401 0 CA-C-N 118.198 0.454 . . . . 72.23 110.664 -174.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.537 HD13 ' HB2' ' B' ' 110' ' ' LEU . 19.1 mt -65.23 -40.04 87.4 Favored 'Isoleucine or valine' 0 C--N 1.354 0.79 0 O-C-N 123.693 0.62 . . . . 72.33 111.504 -178.368 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 19.0 tp -73.19 -28.35 62.14 Favored 'General case' 0 N--CA 1.484 1.263 0 N-CA-C 112.26 0.467 . . . . 74.54 112.26 -176.495 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.43 -42.38 92.52 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 109.297 -0.631 . . . . 74.22 109.297 172.633 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.479 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 4.6 tp10 -67.69 -39.92 84.39 Favored 'General case' 0 C--O 1.211 -0.963 0 CA-C-N 115.265 -0.879 . . . . 63.23 109.785 176.745 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -62.27 -44.61 96.13 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 125.21 1.404 . . . . 74.14 110.546 -177.662 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -58.21 -50.23 74.29 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.37 1.068 . . . . 65.32 110.156 174.56 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.2 ttpt -59.82 -42.57 93.82 Favored 'General case' 0 C--O 1.217 -0.619 0 CA-C-N 114.992 -1.004 . . . . 63.33 110.455 -179.559 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 12' ' ' GLU . 87.5 mt -65.64 -33.36 75.7 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.837 0.855 . . . . 71.32 110.532 -179.428 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.436 ' HA ' HD23 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -70.32 -33.22 71.26 Favored 'General case' 0 CA--C 1.55 0.942 0 C-N-CA 123.925 0.89 . . . . 74.34 110.141 176.325 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.48 -48.51 16.92 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.403 0.681 . . . . 72.01 111.097 -176.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.555 HE22 HD22 ' B' ' 120' ' ' LEU . 0.0 OUTLIER -69.44 -32.91 72.16 Favored 'General case' 0 C--N 1.346 0.421 0 C-N-CA 123.414 0.685 . . . . 71.02 111.475 -178.612 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' A' ' 17' ' ' LYS . 0.7 OUTLIER -66.93 -44.99 79.23 Favored 'General case' 0 C--O 1.21 -0.979 0 N-CA-C 108.416 -0.957 . . . . 71.3 108.416 175.051 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 40.4 t-80 -53.85 -45.15 70.84 Favored 'General case' 0 C--N 1.359 0.996 0 O-C-N 124.246 0.966 . . . . 75.33 109.648 -179.191 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -63.66 -49.11 74.48 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 114.841 -1.072 . . . . 73.42 111.603 178.468 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.491 HG22 HG22 ' B' ' 123' ' ' THR . 7.8 m -67.21 -30.21 70.08 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 122.883 0.473 . . . . 73.52 111.104 -178.264 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -75.18 -46.28 35.16 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.921 0.888 . . . . 64.31 109.714 -178.606 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 10.7 mmt -62.76 -48.55 78.67 Favored 'General case' 0 C--N 1.35 0.601 0 O-C-N 123.965 0.79 . . . . 61.31 110.884 179.456 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.514 ' O ' ' HB2' ' A' ' 30' ' ' LEU . 12.0 pt-20 -65.73 -35.84 81.88 Favored 'General case' 0 C--O 1.205 -1.265 0 CA-C-O 118.888 -0.577 . . . . 74.03 110.6 -179.034 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.659 HD11 ' HB2' ' B' ' 126' ' ' GLU . 7.1 tt -58.47 -42.63 87.94 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.867 0.867 . . . . 64.04 110.444 174.423 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.444 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 68.7 m -69.78 -43.87 71.28 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 123.572 0.749 . . . . 70.24 111.147 -177.679 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.52 -36.56 84.2 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 115.67 -0.695 . . . . 75.11 110.274 175.403 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.514 ' HB2' ' O ' ' A' ' 26' ' ' GLU . 9.4 tp -73.57 -39.85 64.36 Favored 'General case' 0 C--N 1.349 0.559 0 C-N-CA 123.576 0.75 . . . . 52.33 110.029 -175.254 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.444 ' HG3' ' O ' ' A' ' 28' ' ' THR . 0.1 OUTLIER -69.79 -33.38 72.3 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 109.133 -0.692 . . . . 72.15 109.133 -179.882 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 39.5 tp -64.88 -52.73 54.97 Favored 'General case' 0 C--N 1.35 0.593 0 CA-C-N 115.373 -0.83 . . . . 73.45 110.684 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.467 ' OE1' ' HB3' ' A' ' 41' ' ' GLN . 0.7 OUTLIER -70.18 -30.79 68.0 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-O 119.846 -0.121 . . . . 51.53 111.313 178.579 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.528 HD13 HD23 ' B' ' 134' ' ' LEU . 17.3 tp -50.25 -62.04 1.81 Allowed 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.174 0.59 . . . . 50.52 110.234 176.215 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -68.53 -29.69 68.33 Favored 'General case' 0 C--N 1.358 0.939 0 O-C-N 126.631 2.457 . . . . 62.2 111.334 -174.352 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -61.25 -18.75 59.93 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.132 0.573 . . . . 75.15 110.728 168.539 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 82.03 63.28 0.02 OUTLIER 'General case' 0 CA--C 1.505 -0.752 0 N-CA-C 106.716 -1.587 . . . . 73.03 106.716 177.67 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.448 HG21 HD22 ' B' ' 134' ' ' LEU . 15.1 t -57.07 168.4 0.69 Allowed 'General case' 0 N--CA 1.481 1.092 0 CA-C-N 112.356 -2.202 . . . . 53.1 113.877 -172.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.404 ' O ' ' HA ' ' B' ' 140' ' ' ARG . 3.0 pt20 -122.27 -46.32 2.18 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 114.4 -1.273 . . . . 70.35 108.745 167.54 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.547 ' HG3' HE21 ' B' ' 141' ' ' GLN . 46.0 ttt-85 -166.28 132.31 2.44 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.624 0.77 . . . . 65.5 110.426 -177.434 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.467 ' HB3' ' OE1' ' A' ' 33' ' ' GLN . 0.0 OUTLIER -104.91 -38.93 6.45 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 123.727 0.811 . . . . 74.25 109.372 175.197 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.488 ' H ' ' NE2' ' B' ' 141' ' ' GLN . 8.0 tp10 67.48 117.11 0.03 OUTLIER 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 126.678 1.991 . . . . 65.22 112.351 -175.535 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 69.1 mtm180 -112.25 -37.01 5.14 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.174 0.99 . . . . 72.14 110.153 -176.623 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 65.5 t80 . . . . . 0 N--CA 1.48 1.05 0 C-N-CA 123.707 0.803 . . . . 75.21 109.902 177.224 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 101' ' ' ASP . . . . . 0.661 ' N ' ' HZ2' ' B' ' 103' ' ' LYS . 11.1 m-20 . . . . . 0 CA--C 1.537 0.471 0 CA-C-O 120.953 0.406 . . . . 64.43 110.419 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 102' ' ' PHE . . . . . 0.483 ' O ' ' HG ' ' B' ' 105' ' ' LEU . 98.0 m-85 -115.83 -21.51 9.55 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.078 0.951 . . . . 72.52 111.398 -179.073 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 103' ' ' LYS . . . . . 0.661 ' HZ2' ' N ' ' B' ' 101' ' ' ASP . 0.0 OUTLIER -60.82 -32.76 72.11 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 108.955 -0.757 . . . . 71.0 108.955 174.504 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 104' ' ' LYS . . . . . 0.469 ' O ' ' HG2' ' B' ' 108' ' ' GLN . 0.0 OUTLIER -68.43 -35.87 78.23 Favored 'General case' 0 C--N 1.355 0.831 0 CA-C-N 114.634 -1.166 . . . . 71.01 111.319 177.147 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 105' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' B' ' 102' ' ' PHE . 0.8 OUTLIER -61.2 -43.02 99.54 Favored 'General case' 0 C--N 1.376 1.759 0 N-CA-C 108.298 -1.001 . . . . 74.45 108.298 179.229 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 106' ' ' TYR . . . . . 0.477 ' CD1' HD11 ' A' ' 9' ' ' ILE . 35.6 t80 -56.04 -45.78 79.09 Favored 'General case' 0 C--N 1.362 1.135 0 O-C-N 124.657 1.223 . . . . 72.44 109.552 177.219 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -65.78 -45.89 80.78 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.528 0.731 . . . . 42.34 112.585 -179.559 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 108' ' ' GLN . . . . . 0.469 ' HG2' ' O ' ' B' ' 104' ' ' LYS . 13.6 mm-40 -65.97 -52.16 52.1 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 122.701 0.4 . . . . 75.4 111.047 -171.813 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 109' ' ' ILE . . . . . 0.417 HG22 HG22 ' A' ' 9' ' ' ILE . 20.6 mt -69.49 -38.9 77.87 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 O-C-N 123.827 0.705 . . . . 73.32 110.319 -177.308 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 110' ' ' LEU . . . . . 0.537 ' HB2' HD13 ' A' ' 9' ' ' ILE . 22.4 tp -70.57 -32.76 70.29 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 122.608 0.363 . . . . 65.32 111.637 -178.447 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.66 -44.2 91.15 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 109.942 -0.392 . . . . 70.14 109.942 175.093 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 112' ' ' GLU . . . . . 0.482 ' O ' ' HG ' ' B' ' 116' ' ' LEU . 9.0 tp10 -65.13 -38.0 89.23 Favored 'General case' 0 C--O 1.211 -0.931 0 CA-C-N 115.224 -0.898 . . . . 55.31 110.17 173.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -65.84 -39.14 90.5 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 124.821 1.249 . . . . 70.13 110.754 -176.468 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.65 -35.03 67.67 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.854 0.862 . . . . 73.34 109.346 178.466 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 6.0 ttpt -65.77 -41.34 92.18 Favored 'General case' 0 C--N 1.35 0.614 0 CA-C-N 115.291 -0.868 . . . . 71.12 108.932 177.33 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 116' ' ' LEU . . . . . 0.482 ' HG ' ' O ' ' B' ' 112' ' ' GLU . 96.7 mt -66.49 -33.63 76.12 Favored 'General case' 0 C--N 1.352 0.698 0 O-C-N 124.374 1.046 . . . . 73.41 110.316 177.184 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.59 -42.62 91.49 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 123.77 0.828 . . . . 64.55 109.656 178.575 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -74.28 -46.13 43.26 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 114.873 -1.058 . . . . 65.22 111.069 -174.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.17 -37.03 83.04 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 115.983 -0.553 . . . . 62.21 111.07 -177.269 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 120' ' ' LEU . . . . . 0.555 HD22 HE22 ' A' ' 19' ' ' GLN . 2.9 pp -68.14 -40.07 82.53 Favored 'General case' 0 C--N 1.365 1.27 0 N-CA-C 109.867 -0.42 . . . . 64.44 109.867 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 50.7 t-80 -57.45 -44.8 85.05 Favored 'General case' 0 C--N 1.354 0.769 0 O-C-N 124.113 0.883 . . . . 64.3 109.601 174.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 122' ' ' ASP . . . . . 0.4 ' O ' ' HG3' ' B' ' 126' ' ' GLU . 16.9 t70 -68.65 -36.0 77.99 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 114.95 -1.023 . . . . 75.22 111.063 -179.269 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 123' ' ' THR . . . . . 0.491 HG22 HG22 ' A' ' 23' ' ' THR . 33.4 m -69.99 -37.47 75.73 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.21 0.604 . . . . 62.21 109.846 179.733 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 124' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -68.82 -31.12 69.87 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 115.633 -0.712 . . . . 65.51 110.078 176.396 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 125' ' ' MET . . . . . . . . . . . . . 1.7 mmt -66.22 -41.08 90.61 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 122.901 0.481 . . . . 62.2 111.263 175.118 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 126' ' ' GLU . . . . . 0.659 ' HB2' HD11 ' A' ' 27' ' ' LEU . 10.9 mt-10 -71.39 -33.29 69.37 Favored 'General case' 0 N--CA 1.476 0.87 0 O-C-N 123.342 0.401 . . . . 75.11 109.994 177.081 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 127' ' ' LEU . . . . . 0.46 HD22 HG23 ' A' ' 23' ' ' THR . 53.6 tp -69.48 -35.38 75.53 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.832 0.853 . . . . 72.03 110.619 178.844 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 128' ' ' THR . . . . . . . . . . . . . 87.1 m -74.71 -36.23 62.71 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.649 0.78 . . . . 73.43 110.064 176.611 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -66.13 -39.57 89.97 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 114.563 -1.199 . . . . 72.23 110.022 175.269 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 130' ' ' LEU . . . . . 0.424 ' HB2' ' O ' ' B' ' 126' ' ' GLU . 0.2 OUTLIER -68.23 -46.71 69.79 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.932 0.893 . . . . 71.15 108.957 -179.507 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 25.8 tptp -56.53 -36.3 69.06 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.437 1.495 . . . . 74.35 111.014 174.526 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 35.5 tp -70.08 -43.04 71.96 Favored 'General case' 0 CA--C 1.543 0.705 0 O-C-N 123.532 0.52 . . . . 70.54 109.988 176.755 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 133' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 -64.2 -28.73 69.95 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 115.97 -0.559 . . . . 53.05 110.738 177.171 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 134' ' ' LEU . . . . . 0.528 HD23 HD13 ' A' ' 34' ' ' LEU . 32.8 mt -70.19 -51.54 30.24 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 122.991 0.517 . . . . 73.21 110.83 176.778 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 135' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -69.51 -7.49 38.64 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 122.607 0.363 . . . . 71.41 111.526 -178.678 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -88.45 -49.74 6.74 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 123.37 0.668 . . . . 74.44 110.74 163.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -72.41 -20.41 61.43 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 123.948 0.899 . . . . 35.52 113.115 -171.447 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 138' ' ' THR . . . . . 0.445 HG21 HG23 ' A' ' 38' ' ' THR . 12.8 t -160.88 173.28 15.55 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.134 0.574 . . . . 63.55 111.182 -172.816 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -79.83 -21.11 44.59 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 114.944 -1.026 . . . . 75.0 111.097 177.009 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 140' ' ' ARG . . . . . 0.404 ' HA ' ' O ' ' A' ' 39' ' ' GLN . 0.2 OUTLIER 46.01 -176.33 0.01 OUTLIER 'General case' 0 N--CA 1.504 2.238 0 C-N-CA 126.866 2.066 . . . . 74.15 113.882 -176.651 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 141' ' ' GLN . . . . . 0.547 HE21 ' HG3' ' A' ' 40' ' ' ARG . 0.2 OUTLIER -96.37 -43.75 7.52 Favored 'General case' 0 N--CA 1.484 1.252 0 N-CA-C 109.627 -0.508 . . . . 74.43 109.627 175.187 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 42.36 79.03 0.04 OUTLIER 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.824 1.649 . . . . 55.3 112.615 -171.286 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 21.8 mmt180 -79.27 -57.37 3.75 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 108.29 -1.004 . . . . 61.45 108.29 171.58 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 144' ' ' PHE . . . . . . . . . . . . . 41.8 t80 . . . . . 0 C--O 1.249 1.03 0 N-CA-C 107.911 -1.144 . . . . 70.23 107.911 175.64 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.554 ' O ' ' HG3' ' A' ' 4' ' ' LYS . 3.1 p30 . . . . . 0 N--CA 1.483 1.179 0 CA-C-O 119.142 -0.456 . . . . 64.23 110.857 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -55.06 -19.57 7.52 Favored 'General case' 0 CA--C 1.548 0.901 0 N-CA-C 114.591 1.33 . . . . 73.4 114.591 -172.098 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.24 -42.41 79.74 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 118.11 0.414 . . . . 73.4 110.229 177.049 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.554 ' HG3' ' O ' ' A' ' 1' ' ' ASP . 0.0 OUTLIER -73.86 -31.84 63.35 Favored 'General case' 0 C--N 1.361 1.083 0 N-CA-C 108.982 -0.747 . . . . 72.32 108.982 179.568 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 36.8 tp -53.43 -47.08 69.95 Favored 'General case' 0 C--N 1.366 1.291 0 O-C-N 124.031 0.832 . . . . 72.32 110.389 176.382 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.471 ' HA ' HD13 ' B' ' 105' ' ' LEU . 36.1 t80 -53.84 -45.92 71.06 Favored 'General case' 0 C--N 1.356 0.857 0 O-C-N 124.521 1.138 . . . . 73.14 110.6 176.133 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -70.5 -36.56 73.87 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 115.247 -0.888 . . . . 63.21 113.317 -178.385 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.459 ' HG2' ' O ' ' A' ' 4' ' ' LYS . 11.4 mm-40 -67.33 -59.13 3.66 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 122.86 0.464 . . . . 64.4 111.362 -174.545 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.434 HD11 ' CD2' ' B' ' 106' ' ' TYR . 3.8 mt -55.21 -47.23 77.8 Favored 'Isoleucine or valine' 0 C--N 1.354 0.797 0 O-C-N 123.981 0.8 . . . . 75.33 110.78 177.146 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 19.1 tp -70.06 -29.05 65.96 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.006 0.922 . . . . 65.44 112.47 -173.766 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.15 -46.03 78.89 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 109.34 -0.615 . . . . 73.51 109.34 172.232 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.445 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 42.8 mm-40 -67.16 -28.48 68.15 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.351 0.661 . . . . 75.43 111.621 174.485 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -72.29 -48.23 43.94 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.391 0.677 . . . . 64.23 109.542 -177.232 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -65.47 -33.34 75.71 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-N 115.551 -0.75 . . . . 73.3 109.288 177.082 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.2 ttpt -66.81 -43.94 82.48 Favored 'General case' 0 C--N 1.356 0.872 0 CA-C-N 115.074 -0.966 . . . . 74.54 109.171 -178.449 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 12' ' ' GLU . 91.9 mt -68.53 -26.97 65.69 Favored 'General case' 0 C--N 1.358 0.937 0 C-N-CA 123.662 0.785 . . . . 75.24 111.093 179.353 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.449 ' HA ' HD23 ' A' ' 20' ' ' LEU . 55.0 mtmt -77.58 -27.01 51.25 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 122.726 0.411 . . . . 63.44 111.356 173.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.48 ' O ' ' HB3' ' A' ' 21' ' ' HIS . . . -74.53 -55.03 6.38 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 123.005 0.522 . . . . 64.31 109.679 178.261 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -64.91 -31.42 72.65 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 123.094 0.558 . . . . 74.12 112.384 -179.768 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.449 HD23 ' HA ' ' A' ' 17' ' ' LYS . 0.7 OUTLIER -65.33 -45.36 84.54 Favored 'General case' 0 C--N 1.367 1.339 0 N-CA-C 109.319 -0.623 . . . . 75.2 109.319 173.13 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.48 ' HB3' ' O ' ' A' ' 18' ' ' ALA . 2.7 t-80 -47.71 -47.07 30.1 Favored 'General case' 0 N--CA 1.491 1.586 0 C-N-CA 124.132 0.973 . . . . 73.33 110.905 177.173 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -66.19 -49.6 66.77 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 115.16 -0.927 . . . . 72.13 111.398 178.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.615 HG22 HG22 ' B' ' 123' ' ' THR . 7.2 m -66.36 -25.82 66.98 Favored 'General case' 0 N--CA 1.481 1.079 0 O-C-N 123.49 0.494 . . . . 73.4 111.493 -177.715 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.412 ' OD1' HG21 ' B' ' 123' ' ' THR . 3.9 m-20 -77.71 -48.41 16.76 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.144 0.978 . . . . 44.51 110.557 -179.285 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 27.6 ptm -66.99 -37.12 83.63 Favored 'General case' 0 N--CA 1.476 0.833 0 O-C-N 123.388 0.43 . . . . 75.31 110.514 -178.113 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.503 ' HB2' ' HB3' ' A' ' 43' ' ' ARG . 13.0 pt-20 -79.49 -25.81 41.74 Favored 'General case' 0 C--O 1.212 -0.874 0 CA-C-N 116.179 -0.464 . . . . 61.35 110.396 -179.541 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.2 tt -61.94 -46.62 88.52 Favored 'General case' 0 C--N 1.356 0.876 0 N-CA-C 108.599 -0.889 . . . . 62.24 108.599 170.361 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 25.3 m -64.99 -33.41 75.99 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 123.912 0.885 . . . . 74.15 110.702 -177.015 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.466 ' O ' ' HG3' ' A' ' 33' ' ' GLN . 1.2 m-20 -70.31 -52.56 21.84 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.988 0.915 . . . . 74.43 111.19 175.754 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.637 ' O ' ' HB2' ' A' ' 34' ' ' LEU . 3.6 mm? -52.0 -49.39 63.41 Favored 'General case' 0 C--O 1.199 -1.557 0 O-C-N 124.588 1.18 . . . . 73.23 110.264 177.291 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 45.7 tptt -53.13 -54.6 33.38 Favored 'General case' 0 C--O 1.255 1.377 0 C-N-CA 125.869 1.668 . . . . 72.03 112.195 175.773 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.1 tt -56.81 -61.45 2.42 Favored 'General case' 0 C--O 1.246 0.916 0 CA-C-N 114.454 -1.248 . . . . 64.41 111.58 -173.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.51 HE22 HD21 ' B' ' 134' ' ' LEU . 1.0 OUTLIER -72.13 -24.16 61.42 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 116.063 -0.517 . . . . 55.43 111.687 -176.667 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.656 ' HG ' HD22 ' B' ' 134' ' ' LEU . 2.4 tt -49.3 -65.43 0.57 Allowed 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 108.225 -1.028 . . . . 74.25 108.225 177.326 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -72.43 -21.64 61.22 Favored 'General case' 0 C--N 1.359 1.01 0 O-C-N 126.59 2.431 . . . . 73.52 112.608 -174.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -63.79 -13.41 43.99 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-O 120.833 0.349 . . . . 73.43 110.858 164.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 81.35 59.78 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 126.065 1.746 . . . . 73.44 108.697 169.298 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 73.0 p -111.0 -165.21 0.97 Allowed 'General case' 0 N--CA 1.491 1.589 0 CA-C-N 113.91 -1.495 . . . . 61.1 110.879 -175.597 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -142.74 -52.57 0.39 Allowed 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.218 1.007 . . . . 72.22 110.893 176.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 17.2 ttp180 -88.02 142.69 27.58 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.481 0.712 . . . . 72.11 111.081 -178.24 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.39 163.76 31.93 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-O 121.535 0.683 . . . . 44.51 110.618 174.851 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -96.23 -17.92 20.42 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.765 1.226 . . . . 54.43 110.058 175.722 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.509 ' NH1' HH12 ' B' ' 143' ' ' ARG . 0.0 OUTLIER 60.17 -81.12 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.107 0 C-N-CA 125.356 1.463 . . . . 74.11 110.778 -172.442 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 45.0 t80 . . . . . 0 N--CA 1.468 0.448 0 C-N-CA 123.342 0.657 . . . . 73.42 109.737 177.447 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 101' ' ' ASP . . . . . 0.4 ' N ' ' HD2' ' B' ' 103' ' ' LYS . 5.1 m-20 . . . . . 0 N--CA 1.466 0.329 0 CA-C-O 121.58 0.705 . . . . 65.12 109.554 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 102' ' ' PHE . . . . . 0.431 ' O ' ' HG ' ' B' ' 105' ' ' LEU . 96.7 m-85 -103.19 -10.15 19.03 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 114.447 -1.251 . . . . 74.45 110.882 178.828 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 103' ' ' LYS . . . . . 0.489 ' HD3' ' N ' ' B' ' 104' ' ' LYS . 0.0 OUTLIER -60.0 -31.32 69.81 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-O 121.817 0.818 . . . . 72.15 109.557 177.567 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 104' ' ' LYS . . . . . 0.497 ' O ' ' HG2' ' B' ' 108' ' ' GLN . 0.0 OUTLIER -74.93 -33.43 61.97 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-N 114.174 -1.375 . . . . 65.14 110.835 -179.884 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 105' ' ' LEU . . . . . 0.471 HD13 ' HA ' ' A' ' 6' ' ' TYR . 0.5 OUTLIER -60.04 -41.4 92.2 Favored 'General case' 0 C--N 1.375 1.704 0 N-CA-C 108.022 -1.103 . . . . 65.14 108.022 177.674 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 106' ' ' TYR . . . . . 0.434 ' CD2' HD11 ' A' ' 9' ' ' ILE . 44.1 t80 -59.16 -51.74 68.71 Favored 'General case' 0 C--N 1.368 1.392 0 O-C-N 124.572 1.17 . . . . 70.24 109.417 177.605 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -59.68 -40.99 89.68 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 113.079 0.77 . . . . 73.21 113.079 -177.091 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 108' ' ' GLN . . . . . 0.497 ' HG2' ' O ' ' B' ' 104' ' ' LYS . 13.8 mm-40 -67.68 -58.97 3.74 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 122.885 0.474 . . . . 72.41 111.225 -176.292 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 19.6 mt -69.55 -36.16 69.76 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.917 0 CA-C-N 115.632 -0.713 . . . . 64.43 110.746 -173.247 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -71.2 -34.26 70.7 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 123.659 0.784 . . . . 75.41 110.344 179.145 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -61.1 -44.36 97.48 Favored 'General case' 0 N--CA 1.486 1.355 0 CA-C-O 120.984 0.421 . . . . 64.31 110.258 174.675 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 112' ' ' GLU . . . . . 0.413 ' O ' ' HG ' ' B' ' 116' ' ' LEU . 4.5 tp10 -66.76 -41.48 87.69 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 115.277 -0.874 . . . . 74.4 110.126 176.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -60.56 -40.08 90.31 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 124.766 1.227 . . . . 75.3 110.842 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -59.61 -52.75 64.2 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.535 1.134 . . . . 73.13 110.072 174.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 14.1 ttpt -56.17 -39.13 71.88 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 114.64 -1.163 . . . . 74.33 110.196 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 116' ' ' LEU . . . . . 0.437 ' HB3' ' HB3' ' A' ' 16' ' ' LEU . 90.5 mt -67.16 -34.43 77.54 Favored 'General case' 0 C--N 1.349 0.577 0 C-N-CA 124.214 1.006 . . . . 73.01 111.9 -179.787 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 49.4 mtmt -72.64 -33.93 66.94 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-O 120.748 0.309 . . . . 75.52 110.948 176.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -73.01 -47.89 41.06 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 115.66 -0.7 . . . . 54.02 110.921 -178.13 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 119' ' ' GLN . . . . . 0.412 HE22 ' HB3' ' A' ' 20' ' ' LEU . 5.1 pp0? -66.71 -38.43 86.69 Favored 'General case' 0 C--N 1.345 0.382 0 CA-C-N 115.809 -0.632 . . . . 73.41 110.966 -179.183 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 1.7 pp -66.43 -40.65 89.63 Favored 'General case' 0 C--N 1.368 1.395 0 N-CA-C 109.287 -0.635 . . . . 70.14 109.287 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 12.2 t-80 -53.29 -47.79 68.89 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.954 0.901 . . . . 72.42 110.588 176.288 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 122' ' ' ASP . . . . . 0.444 ' O ' ' HG2' ' B' ' 126' ' ' GLU . 1.2 m-20 -63.33 -52.71 60.72 Favored 'General case' 0 C--O 1.217 -0.643 0 CA-C-N 115.191 -0.913 . . . . 64.33 110.984 177.73 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 123' ' ' THR . . . . . 0.615 HG22 HG22 ' A' ' 23' ' ' THR . 20.7 m -61.7 -27.11 68.47 Favored 'General case' 0 CA--C 1.558 1.259 0 C-N-CA 123.472 0.709 . . . . 74.21 111.748 -179.702 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 124' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -73.96 -48.49 30.08 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.117 0.967 . . . . 74.3 110.115 178.188 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 125' ' ' MET . . . . . . . . . . . . . 27.0 ptm -70.47 -27.52 64.28 Favored 'General case' 0 N--CA 1.475 0.808 0 O-C-N 123.166 0.291 . . . . 74.54 111.086 -178.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 126' ' ' GLU . . . . . 0.513 ' O ' ' HG ' ' B' ' 130' ' ' LEU . 6.9 mm-40 -65.68 -50.46 64.82 Favored 'General case' 0 C--N 1.353 0.74 0 N-CA-C 109.114 -0.698 . . . . 75.41 109.114 171.131 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 127' ' ' LEU . . . . . 0.466 HD22 HG23 ' A' ' 23' ' ' THR . 59.1 tp -56.46 -39.0 72.43 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.973 0.909 . . . . 63.4 111.367 178.761 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 128' ' ' THR . . . . . . . . . . . . . 20.6 m -71.22 -36.41 71.85 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.979 0.911 . . . . 71.14 110.339 178.489 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -73.89 -29.89 62.31 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.988 0.915 . . . . 73.13 110.592 -179.453 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 130' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' B' ' 126' ' ' GLU . 95.3 mt -71.97 -51.07 23.78 Favored 'General case' 0 C--N 1.351 0.661 0 C-N-CA 123.492 0.717 . . . . 74.21 109.693 179.138 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.72 -29.76 70.76 Favored 'General case' 0 C--N 1.358 0.975 0 O-C-N 123.66 0.6 . . . . 63.3 109.867 178.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 38.3 tp -65.39 -37.52 87.22 Favored 'General case' 0 C--N 1.359 0.99 0 C-N-CA 123.523 0.729 . . . . 73.2 109.929 173.181 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 133' ' ' GLN . . . . . 0.549 ' HA ' ' HB2' ' B' ' 136' ' ' LYS . 91.5 mt-30 -79.18 -16.14 57.03 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 123.052 0.541 . . . . 65.2 111.965 177.428 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 134' ' ' LEU . . . . . 0.656 HD22 ' HG ' ' A' ' 34' ' ' LEU . 3.3 mm? -70.16 -44.19 69.33 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 109.703 -0.48 . . . . 73.45 109.703 168.587 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 135' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -76.36 -20.15 57.48 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 115.627 -0.715 . . . . 60.42 111.641 177.589 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 136' ' ' LYS . . . . . 0.549 ' HB2' ' HA ' ' B' ' 133' ' ' GLN . 65.2 mttm -76.72 -36.29 57.26 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 122.963 0.505 . . . . 73.51 110.464 168.801 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -62.85 -46.95 85.52 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.592 0.757 . . . . 61.02 110.859 -179.454 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 138' ' ' THR . . . . . 0.444 HG23 ' H ' ' B' ' 139' ' ' GLN . 1.8 t -147.79 -63.97 0.26 Allowed 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 123.283 0.633 . . . . 52.32 110.648 -177.161 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 139' ' ' GLN . . . . . 0.444 ' H ' HG23 ' B' ' 138' ' ' THR . 0.0 OUTLIER -177.91 -20.13 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.81 0 C-N-CA 123.706 0.802 . . . . 62.23 111.362 177.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 140' ' ' ARG . . . . . . . . . . . . . 34.3 ttt180 69.26 160.84 0.2 Allowed 'General case' 0 N--CA 1.492 1.665 0 C-N-CA 124.657 1.183 . . . . 73.14 111.128 -177.684 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 141' ' ' GLN . . . . . 0.549 ' HG2' ' HG3' ' B' ' 143' ' ' ARG . 3.1 pm0 -68.84 140.76 55.23 Favored 'General case' 0 C--N 1.356 0.873 0 N-CA-C 108.929 -0.767 . . . . 54.41 108.929 174.489 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -95.13 84.25 4.06 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-O 121.418 0.628 . . . . 71.33 110.412 -174.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 143' ' ' ARG . . . . . 0.549 ' HG3' ' HG2' ' B' ' 141' ' ' GLN . 92.8 mtt180 -95.56 -57.18 2.46 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 115.422 -0.808 . . . . 74.43 109.29 173.019 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 144' ' ' PHE . . . . . . . . . . . . . 70.0 t80 . . . . . 0 CA--C 1.553 1.075 0 C-N-CA 123.68 0.792 . . . . 74.01 108.914 -174.2 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.596 ' O ' ' HG3' ' A' ' 4' ' ' LYS . 5.4 m-20 . . . . . 0 C--O 1.212 -0.902 0 CA-C-O 120.454 0.169 . . . . 73.41 111.079 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -60.98 -8.82 3.48 Favored 'General case' 0 N--CA 1.484 1.267 0 N-CA-C 116.235 1.939 . . . . 71.53 116.235 -162.109 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.527 ' HD3' ' N ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -70.2 -33.27 71.5 Favored 'General case' 0 N--CA 1.483 1.202 0 CA-C-N 118.314 0.506 . . . . 74.3 110.443 177.49 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.596 ' HG3' ' O ' ' A' ' 1' ' ' ASP . 0.0 OUTLIER -80.78 -30.59 36.0 Favored 'General case' 0 C--O 1.212 -0.885 0 CA-C-N 115.46 -0.791 . . . . 73.44 110.081 179.298 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 26.5 tp -56.87 -44.69 82.49 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-O 121.481 0.657 . . . . 75.35 110.223 173.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.486 ' HD1' HD13 ' B' ' 105' ' ' LEU . 30.5 t80 -54.31 -49.77 68.89 Favored 'General case' 0 C--N 1.35 0.596 0 CA-C-N 113.983 -1.462 . . . . 75.22 110.42 173.139 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -67.74 -34.72 77.39 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 124.253 1.021 . . . . 65.24 113.202 -176.128 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.439 ' HG2' ' O ' ' A' ' 4' ' ' LYS . 10.9 mm-40 -65.26 -62.45 1.53 Allowed 'General case' 0 N--CA 1.483 1.213 0 CA-C-N 118.079 0.4 . . . . 70.43 111.566 -177.239 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.565 HD11 ' CD1' ' B' ' 106' ' ' TYR . 20.4 mt -58.37 -41.23 80.85 Favored 'Isoleucine or valine' 0 C--N 1.357 0.928 0 O-C-N 123.263 0.352 . . . . 64.24 111.16 178.01 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.52 ' HA ' ' HB3' ' A' ' 13' ' ' ASN . 14.9 tp -70.44 -24.38 62.88 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.1 0.56 . . . . 72.53 112.168 -178.615 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.74 -45.98 76.92 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 122.589 0.355 . . . . 74.05 110.239 173.579 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -76.88 -22.76 52.96 Favored 'General case' 0 C--O 1.216 -0.693 0 CA-C-N 116.102 -0.499 . . . . 72.11 110.62 176.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.52 ' HB3' ' HA ' ' A' ' 10' ' ' LEU . 26.8 t-20 -66.51 -36.91 83.86 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 123.221 0.608 . . . . 62.14 109.438 172.409 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -67.86 -46.15 72.55 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.048 0.939 . . . . 61.15 110.607 171.117 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.4 ttpt -57.75 -44.71 86.3 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.419 0.687 . . . . 61.4 111.0 179.695 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.456 ' HB3' ' HB3' ' B' ' 116' ' ' LEU . 80.5 mt -70.08 -30.1 67.25 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.141 0.976 . . . . 70.23 110.417 179.351 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.452 ' HA ' HD23 ' A' ' 20' ' ' LEU . 0.3 OUTLIER -69.83 -33.32 72.14 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.508 0.723 . . . . 75.41 109.64 173.676 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.92 -56.97 4.42 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.451 0.701 . . . . 73.22 109.863 -177.233 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -63.53 -34.64 78.23 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 115.916 -0.583 . . . . 60.14 112.081 -179.198 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.452 HD23 ' HA ' ' A' ' 17' ' ' LYS . 0.6 OUTLIER -65.71 -43.03 90.39 Favored 'General case' 0 N--CA 1.486 1.358 0 N-CA-C 109.262 -0.644 . . . . 55.31 109.262 174.895 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.447 ' O ' ' HG2' ' A' ' 25' ' ' MET . 23.7 t60 -58.08 -45.06 87.77 Favored 'General case' 0 C--N 1.353 0.741 0 O-C-N 124.148 0.905 . . . . 72.54 109.309 -177.708 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -60.84 -46.98 88.44 Favored 'General case' 0 N--CA 1.468 0.465 0 O-C-N 123.926 0.766 . . . . 63.32 110.909 175.467 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.562 HG23 HD22 ' B' ' 127' ' ' LEU . 21.5 m -66.15 -29.18 69.42 Favored 'General case' 0 N--CA 1.478 0.945 0 O-C-N 123.606 0.566 . . . . 70.44 111.222 -177.72 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -75.06 -46.08 37.23 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.706 0.802 . . . . 73.14 109.568 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.447 ' HG2' ' O ' ' A' ' 21' ' ' HIS . 32.1 mmt -63.1 -47.91 80.84 Favored 'General case' 0 C--N 1.354 0.77 0 C-N-CA 123.089 0.556 . . . . 65.15 111.073 179.315 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.445 ' O ' ' HB2' ' A' ' 30' ' ' LEU . 12.6 pt-20 -72.3 -24.93 61.4 Favored 'General case' 0 C--O 1.21 -1.024 0 CA-C-O 118.865 -0.588 . . . . 65.31 111.373 -177.359 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.56 HD11 ' HB2' ' B' ' 126' ' ' GLU . 6.7 tt -67.39 -53.5 28.7 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 123.351 0.66 . . . . 73.41 109.484 173.092 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 83.2 m -67.11 -34.79 78.38 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.291 1.036 . . . . 74.3 111.275 -174.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.464 ' O ' ' HG2' ' A' ' 33' ' ' GLN . 6.4 t70 -62.59 -58.38 7.74 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 114.616 -1.175 . . . . 54.13 109.564 172.504 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.834 ' HG ' HD12 ' B' ' 130' ' ' LEU . 21.8 tp -53.4 -38.43 63.4 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.347 1.459 . . . . 72.41 111.028 -178.416 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.481 ' HA ' HD11 ' B' ' 130' ' ' LEU . 40.4 tptt -67.18 -50.18 61.95 Favored 'General case' 0 C--O 1.252 1.229 0 C-N-CA 126.333 1.853 . . . . 74.2 111.808 179.511 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 46.8 tp -59.69 -56.38 22.55 Favored 'General case' 0 C--O 1.246 0.875 0 CA-C-N 115.04 -0.982 . . . . 71.24 110.469 -176.277 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.464 ' HG2' ' O ' ' A' ' 29' ' ' ASP . 1.8 pt20 -65.67 -32.87 74.68 Favored 'General case' 0 CA--C 1.553 1.06 0 CA-C-N 115.336 -0.847 . . . . 55.32 111.562 178.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.499 HD22 HD13 ' B' ' 130' ' ' LEU . 29.0 tp -46.66 -62.89 1.18 Allowed 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 123.628 0.771 . . . . 73.4 109.996 178.562 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -77.86 -14.75 59.46 Favored 'General case' 0 C--N 1.358 0.953 0 O-C-N 125.927 2.017 . . . . 73.33 112.516 -174.536 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -68.82 -14.21 62.89 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 122.275 -0.266 . . . . 62.23 110.443 162.476 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 81.37 59.29 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 126.307 1.843 . . . . 55.23 108.32 174.762 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 13.1 t -78.26 165.38 23.95 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-N 113.648 -1.615 . . . . 74.33 110.608 -177.208 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.432 ' HA ' ' HB ' ' B' ' 138' ' ' THR . 0.0 OUTLIER -107.91 -12.44 15.17 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-O 119.066 -0.492 . . . . 74.04 111.12 178.673 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.88 177.71 4.29 Favored 'General case' 0 N--CA 1.493 1.675 0 CA-C-N 118.482 0.583 . . . . 71.13 110.686 167.352 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -107.52 162.63 13.77 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.335 1.054 . . . . 73.34 111.082 172.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -109.01 81.77 1.49 Allowed 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.068 0.947 . . . . 74.01 109.53 178.306 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 91.6 mtt-85 -87.21 -40.96 14.09 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 114.751 -1.113 . . . . 72.23 108.883 171.2 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 88.4 t80 . . . . . 0 N--CA 1.472 0.653 0 C-N-CA 124.673 1.189 . . . . 72.32 109.039 171.947 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 . . . . . 0 N--CA 1.464 0.259 0 CA-C-O 121.224 0.535 . . . . 75.03 109.588 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 102' ' ' PHE . . . . . 0.556 ' HB3' HD23 ' B' ' 105' ' ' LEU . 97.4 m-85 -89.43 1.06 56.37 Favored 'General case' 0 C--O 1.243 0.739 0 CA-C-N 114.887 -1.052 . . . . 73.41 111.978 -174.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.24 -38.96 77.89 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 109.706 -0.479 . . . . 72.55 109.706 173.235 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 104' ' ' LYS . . . . . 0.475 ' O ' ' HG2' ' B' ' 108' ' ' GLN . 0.0 OUTLIER -64.43 -40.04 95.0 Favored 'General case' 0 C--O 1.208 -1.105 0 CA-C-N 115.159 -0.928 . . . . 65.53 109.931 178.61 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 105' ' ' LEU . . . . . 0.556 HD23 ' HB3' ' B' ' 102' ' ' PHE . 0.0 OUTLIER -55.93 -49.83 72.42 Favored 'General case' 0 C--O 1.253 1.283 0 O-C-N 123.778 0.673 . . . . 62.21 109.342 -178.106 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 106' ' ' TYR . . . . . 0.565 ' CD1' HD11 ' A' ' 9' ' ' ILE . 37.1 t80 -54.15 -48.7 70.57 Favored 'General case' 0 C--N 1.354 0.784 0 O-C-N 124.669 1.231 . . . . 75.51 109.512 179.098 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -67.64 -38.7 84.22 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.218 1.007 . . . . 75.42 113.355 -176.444 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 108' ' ' GLN . . . . . 0.475 ' HG2' ' O ' ' B' ' 104' ' ' LYS . 11.5 mm-40 -69.46 -54.66 13.19 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 122.725 0.41 . . . . 71.44 111.392 -173.786 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 23.5 mt -67.01 -34.7 71.59 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.787 0 O-C-N 123.527 0.517 . . . . 74.31 110.106 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 110' ' ' LEU . . . . . 0.402 ' HB2' ' O ' ' B' ' 106' ' ' TYR . 1.6 tm? -68.0 -34.36 76.37 Favored 'General case' 0 N--CA 1.491 1.591 0 C-N-CA 122.979 0.511 . . . . 62.23 110.839 176.726 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -67.95 -34.63 76.95 Favored 'General case' 0 N--CA 1.486 1.352 0 CA-C-O 120.943 0.402 . . . . 71.44 110.721 175.284 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 112' ' ' GLU . . . . . 0.463 ' O ' ' HG ' ' B' ' 116' ' ' LEU . 29.3 tp10 -74.18 -38.04 63.77 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 115.758 -0.655 . . . . 75.54 110.04 177.16 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -67.46 -39.11 85.31 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.322 1.449 . . . . 65.44 109.187 178.802 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 114' ' ' GLU . . . . . 0.445 ' HA ' ' HE3' ' B' ' 117' ' ' LYS . 0.9 OUTLIER -58.5 -50.85 72.27 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 125.283 1.433 . . . . 65.45 109.097 174.875 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 15.1 ttpt -55.31 -37.83 67.9 Favored 'General case' 0 C--N 1.349 0.556 0 CA-C-N 114.263 -1.335 . . . . 75.2 109.963 179.682 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 116' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' B' ' 112' ' ' GLU . 93.9 mt -66.57 -33.62 76.09 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 115.268 -0.878 . . . . 71.24 112.577 179.274 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 117' ' ' LYS . . . . . 0.445 ' HE3' ' HA ' ' B' ' 114' ' ' GLU . 0.0 OUTLIER -67.88 -37.25 81.55 Favored 'General case' 0 N--CA 1.499 1.996 0 CA-C-N 118.442 0.565 . . . . 73.01 111.264 172.511 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -69.94 -49.65 49.83 Favored 'General case' 0 C--O 1.242 0.683 0 CA-C-N 116.121 -0.49 . . . . 61.53 110.601 -177.166 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -67.57 -39.21 84.91 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 115.332 -0.849 . . . . 62.23 110.956 -176.63 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 1.7 pp -65.87 -40.36 91.55 Favored 'General case' 0 C--N 1.37 1.47 0 N-CA-C 109.38 -0.6 . . . . 74.15 109.38 -179.269 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 121' ' ' HIS . . . . . 0.457 ' O ' ' HG2' ' B' ' 125' ' ' MET . 61.3 t60 -57.16 -46.83 82.42 Favored 'General case' 0 C--N 1.356 0.867 0 O-C-N 124.193 0.933 . . . . 64.34 109.752 178.456 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 122' ' ' ASP . . . . . 0.518 ' O ' ' HG3' ' B' ' 126' ' ' GLU . 22.2 t70 -70.08 -39.57 75.52 Favored 'General case' 0 N--CA 1.475 0.777 0 O-C-N 123.777 0.673 . . . . 71.15 111.387 -178.29 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 123' ' ' THR . . . . . 0.557 HG22 HG22 ' A' ' 23' ' ' THR . 26.8 m -65.16 -32.13 73.67 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.398 0.679 . . . . 62.44 110.148 178.463 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 124' ' ' ASN . . . . . 0.412 ' OD1' HG21 ' A' ' 23' ' ' THR . 3.6 m-20 -72.76 -35.81 67.55 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 115.694 -0.685 . . . . 73.44 110.408 175.576 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 125' ' ' MET . . . . . 0.457 ' HG2' ' O ' ' B' ' 121' ' ' HIS . 83.0 mmm -64.9 -38.9 92.52 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.119 0.568 . . . . 50.23 111.594 176.804 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 126' ' ' GLU . . . . . 0.56 ' HB2' HD11 ' A' ' 27' ' ' LEU . 23.8 mt-10 -66.34 -44.73 82.46 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 109.203 -0.666 . . . . 74.22 109.203 175.533 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 127' ' ' LEU . . . . . 0.562 HD22 HG23 ' A' ' 23' ' ' THR . 45.9 tp -62.39 -37.16 84.7 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.906 1.283 . . . . 72.45 111.7 179.388 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 128' ' ' THR . . . . . . . . . . . . . 98.8 m -71.44 -43.86 65.91 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.68 0.792 . . . . 52.0 109.841 -179.69 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -65.16 -34.34 78.15 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 115.602 -0.726 . . . . 75.1 110.139 176.481 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 130' ' ' LEU . . . . . 0.834 HD12 ' HG ' ' A' ' 30' ' ' LEU . 0.2 OUTLIER -72.21 -47.67 48.76 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 115.548 -0.751 . . . . 74.24 109.941 -175.934 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.23 -23.62 63.9 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 109.882 -0.414 . . . . 73.25 109.882 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 40.4 tp -70.86 -43.74 67.84 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 123.438 0.695 . . . . 71.25 109.69 172.671 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 133' ' ' GLN . . . . . . . . . . . . . 63.7 mt-30 -63.73 -30.49 71.59 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.159 0.583 . . . . 70.45 109.98 173.648 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 134' ' ' LEU . . . . . 0.553 ' O ' HG22 ' B' ' 138' ' ' THR . 0.2 OUTLIER -66.38 -52.93 41.8 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.067 0.947 . . . . 65.11 108.635 -177.658 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 135' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -73.44 -7.08 50.24 Favored 'General case' 0 CA--C 1.552 1.045 0 CA-C-N 115.659 -0.7 . . . . 71.4 111.237 177.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -89.41 -27.18 20.59 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 122.961 0.504 . . . . 63.35 111.086 165.482 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -83.68 -15.48 48.62 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 123.482 0.713 . . . . 75.24 111.1 179.256 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 138' ' ' THR . . . . . 0.553 HG22 ' O ' ' B' ' 134' ' ' LEU . 14.0 t -136.92 163.98 29.4 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.773 0.829 . . . . 72.41 111.341 179.594 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 3.8 pp0? -81.9 -22.16 36.98 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.539 0.736 . . . . 61.55 109.816 171.274 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 140' ' ' ARG . . . . . . . . . . . . . 21.5 tpp180 -69.74 169.48 12.85 Favored 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 125.144 1.378 . . . . 74.2 110.729 -178.163 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 75.44 -77.93 0.05 OUTLIER 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.175 1.39 . . . . 74.43 110.805 175.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 33.13 76.42 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.783 0 C-N-CA 126.17 1.788 . . . . 74.32 114.059 -179.328 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -101.86 -72.58 0.68 Allowed 'General case' 0 C--O 1.241 0.635 0 C-N-CA 123.039 0.536 . . . . 74.44 110.56 -177.67 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 144' ' ' PHE . . . . . . . . . . . . . 44.6 t80 . . . . . 0 CA--C 1.551 1.017 0 N-CA-C 108.704 -0.85 . . . . 73.12 108.704 -173.436 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.481 1.102 0 CA-C-O 120.515 0.198 . . . . 64.13 111.369 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -86.62 -18.8 30.47 Favored 'General case' 0 C--O 1.239 0.52 0 N-CA-C 113.243 0.831 . . . . 64.25 113.243 -174.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.416 ' HD3' ' H ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -76.45 -38.25 55.71 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 109.015 -0.735 . . . . 63.04 109.015 179.664 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.45 ' O ' ' HG2' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -75.62 -29.55 59.25 Favored 'General case' 0 C--O 1.214 -0.781 0 CA-C-N 114.863 -1.062 . . . . 73.02 109.181 176.677 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 30.7 tp -54.47 -48.75 71.43 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.501 0.721 . . . . 61.12 110.467 174.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -56.5 -43.04 79.32 Favored 'General case' 0 C--N 1.354 0.771 0 O-C-N 124.532 1.145 . . . . 61.11 110.576 176.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -66.37 -39.77 89.31 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 123.976 0.91 . . . . 65.21 112.448 178.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.45 ' HG2' ' O ' ' A' ' 4' ' ' LYS . 13.3 mm-40 -65.07 -59.1 4.5 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 122.919 0.488 . . . . 72.14 111.519 -174.48 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.434 HD11 ' HD1' ' B' ' 106' ' ' TYR . 3.5 mt -58.96 -49.56 82.76 Favored 'Isoleucine or valine' 0 C--N 1.352 0.71 0 O-C-N 124.12 0.888 . . . . 62.03 110.38 -178.313 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.531 ' HA ' ' HB3' ' A' ' 13' ' ' ASN . 20.1 tp -70.62 -26.0 63.29 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 124.474 1.108 . . . . 73.45 112.623 -173.141 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.95 -51.34 69.69 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 122.582 0.353 . . . . 64.42 110.057 171.641 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.468 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 4.4 tp10 -65.27 -45.14 85.72 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-N 115.932 -0.576 . . . . 71.23 110.3 177.113 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.531 ' HB3' ' HA ' ' A' ' 10' ' ' LEU . 24.3 t-20 -57.89 -43.67 86.24 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 125.287 1.435 . . . . 72.14 110.692 -175.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.467 ' HA ' ' HE3' ' A' ' 17' ' ' LYS . 2.5 tt0 -61.63 -53.0 62.01 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 123.83 0.852 . . . . 72.3 110.049 176.342 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.7 ttpt -50.04 -41.18 47.06 Favored 'General case' 0 C--N 1.356 0.851 0 O-C-N 124.478 1.111 . . . . 72.44 110.586 176.372 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.476 ' HB3' ' HB3' ' B' ' 116' ' ' LEU . 96.0 mt -65.15 -34.31 78.08 Favored 'General case' 0 C--N 1.35 0.627 0 O-C-N 124.242 0.964 . . . . 65.24 111.796 -177.808 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.467 ' HE3' ' HA ' ' A' ' 14' ' ' GLU . 0.0 OUTLIER -67.48 -35.45 79.2 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 122.388 0.275 . . . . 71.15 111.343 172.267 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.99 -58.6 3.65 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 116.329 -0.396 . . . . 52.24 110.208 -177.233 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -62.61 -32.56 73.59 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.866 0.867 . . . . 75.1 112.343 -177.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.494 ' HB3' HE22 ' B' ' 119' ' ' GLN . 1.3 pp -66.4 -43.58 85.4 Favored 'General case' 0 C--N 1.361 1.105 0 N-CA-C 108.711 -0.848 . . . . 72.11 108.711 174.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 54.2 t60 -62.75 -34.75 77.86 Favored 'General case' 0 C--N 1.356 0.848 0 O-C-N 123.534 0.521 . . . . 73.1 110.338 -175.655 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -62.65 -56.65 15.78 Favored 'General case' 0 N--CA 1.476 0.863 0 O-C-N 124.24 0.962 . . . . 53.1 110.256 171.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.53 HG22 HG22 ' B' ' 123' ' ' THR . 16.2 m -67.27 -26.24 66.46 Favored 'General case' 0 CA--C 1.549 0.938 0 O-C-N 123.672 0.607 . . . . 74.35 112.163 -174.281 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -78.09 -48.27 16.42 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.699 0.8 . . . . 72.1 109.371 -179.124 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 25.4 ptt? -68.22 -39.55 82.33 Favored 'General case' 0 C--N 1.358 0.96 0 O-C-N 123.515 0.509 . . . . 72.22 109.954 -177.025 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.451 ' O ' ' HB2' ' A' ' 30' ' ' LEU . 16.3 pt-20 -75.41 -28.7 59.5 Favored 'General case' 0 C--N 1.357 0.927 0 CA-C-O 119.006 -0.521 . . . . 74.23 110.073 -177.825 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 66.6 tp -64.47 -43.47 94.11 Favored 'General case' 0 C--N 1.355 0.818 0 C-N-CA 122.815 0.446 . . . . 54.41 110.259 169.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 68.7 m -61.16 -48.96 79.18 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.38 0.672 . . . . 74.2 110.336 -179.036 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -58.95 -44.57 91.46 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.542 0.737 . . . . 72.23 110.745 173.07 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.451 ' HB2' ' O ' ' A' ' 26' ' ' GLU . 13.3 tp -69.04 -40.15 78.77 Favored 'General case' 0 C--N 1.357 0.908 0 O-C-N 123.686 0.617 . . . . 70.51 110.828 -169.783 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.3 -34.45 61.29 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 122.516 0.326 . . . . 73.54 110.857 -178.606 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 28.3 tp -58.64 -58.46 8.45 Favored 'General case' 0 C--N 1.355 0.812 0 O-C-N 124.687 1.242 . . . . 74.4 110.058 -179.091 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.474 HE21 HG23 ' A' ' 38' ' ' THR . 0.0 OUTLIER -70.45 -33.83 71.75 Favored 'General case' 0 C--O 1.24 0.554 0 CA-C-N 115.032 -0.985 . . . . 73.55 111.358 -177.93 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.45 HD23 HD22 ' B' ' 134' ' ' LEU . 1.3 tm? -52.31 -58.07 7.8 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-O 118.272 -0.87 . . . . 62.14 110.188 -178.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.0 -19.88 61.12 Favored 'General case' 0 C--N 1.361 1.102 0 O-C-N 126.293 2.246 . . . . 72.42 112.78 -177.746 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 52.7 mtpt -62.75 -17.81 61.57 Favored 'General case' 0 N--CA 1.496 1.842 0 CA-C-N 118.08 0.4 . . . . 71.34 110.456 161.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 82.75 60.86 0.01 OUTLIER 'General case' 0 CA--C 1.506 -0.74 0 C-N-CA 126.198 1.799 . . . . 53.35 109.157 169.769 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.474 HG23 HE21 ' A' ' 33' ' ' GLN . 14.8 t -153.59 177.93 10.39 Favored 'General case' 0 N--CA 1.495 1.805 0 CA-C-N 113.966 -1.47 . . . . 64.1 111.837 -174.424 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.466 ' HG3' ' N ' ' A' ' 40' ' ' ARG . 3.1 pt20 -90.08 -48.54 7.12 Favored 'General case' 0 C--N 1.358 0.945 0 C-N-CA 123.642 0.777 . . . . 65.13 111.148 178.005 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.497 ' HG3' ' N ' ' A' ' 41' ' ' GLN . 9.4 tpt180 59.51 174.23 0.08 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 124.584 1.178 . . . . 72.23 110.626 -166.496 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.497 ' N ' ' HG3' ' A' ' 40' ' ' ARG . 0.0 OUTLIER 58.65 166.51 0.05 OUTLIER 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 126.151 1.78 . . . . 71.21 114.76 165.776 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -166.96 70.06 0.1 Allowed 'General case' 0 C--O 1.241 0.613 0 CA-C-N 113.839 -1.528 . . . . 72.31 107.446 177.093 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 63.4 mtt180 -60.56 -43.75 96.93 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 114.561 -1.199 . . . . 73.34 110.385 178.155 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 83.3 t80 . . . . . 0 N--CA 1.479 0.977 0 CA-C-N 115.394 -0.821 . . . . 72.33 109.037 171.169 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 . . . . . 0 N--CA 1.47 0.545 0 CA-C-O 120.847 0.356 . . . . 75.31 111.113 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 102' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -95.65 -20.11 19.2 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.549 0.74 . . . . 71.52 111.701 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.28 -38.32 73.76 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.386 0.612 . . . . 74.0 109.658 176.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 104' ' ' LYS . . . . . 0.467 ' O ' ' HG2' ' B' ' 108' ' ' GLN . 0.0 OUTLIER -76.15 -31.35 58.53 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-N 114.953 -1.021 . . . . 62.55 110.565 -178.088 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.22 -43.74 92.29 Favored 'General case' 0 C--N 1.372 1.564 0 N-CA-C 108.046 -1.094 . . . . 63.01 108.046 177.585 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 106' ' ' TYR . . . . . 0.434 ' HD1' HD11 ' A' ' 9' ' ' ILE . 30.9 t80 -57.31 -52.9 63.47 Favored 'General case' 0 C--N 1.369 1.442 0 O-C-N 124.562 1.164 . . . . 71.34 109.16 178.078 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 52.3 mm-40 -63.28 -40.52 97.61 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 124.372 1.045 . . . . 62.31 113.322 -174.512 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 108' ' ' GLN . . . . . 0.467 ' HG2' ' O ' ' B' ' 104' ' ' LYS . 10.1 mm-40 -66.75 -56.63 9.65 Favored 'General case' 0 N--CA 1.485 1.278 0 O-C-N 123.212 0.32 . . . . 74.32 110.54 -175.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 21.4 mt -67.6 -37.51 78.86 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.798 0 O-C-N 123.696 0.623 . . . . 62.44 110.608 -175.273 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -70.99 -34.83 71.77 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 123.536 0.734 . . . . 61.45 110.657 -178.575 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -66.68 -41.24 88.41 Favored 'General case' 0 N--CA 1.482 1.173 0 CA-C-N 117.797 0.271 . . . . 54.23 110.476 177.356 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 112' ' ' GLU . . . . . 0.472 ' O ' ' HG ' ' B' ' 116' ' ' LEU . 6.3 tp10 -64.65 -45.56 86.23 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 115.816 -0.629 . . . . 64.13 109.41 174.479 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -57.8 -43.18 85.47 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 125.152 1.381 . . . . 72.4 110.587 -178.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 114' ' ' GLU . . . . . 0.436 ' HA ' ' HE3' ' B' ' 117' ' ' LYS . 4.7 tt0 -57.99 -51.83 68.03 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.642 1.177 . . . . 60.14 110.349 176.777 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 19.6 ttpt -55.18 -39.96 70.16 Favored 'General case' 0 C--N 1.351 0.667 0 O-C-N 124.586 1.179 . . . . 75.1 110.299 177.431 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 116' ' ' LEU . . . . . 0.476 ' HB3' ' HB3' ' A' ' 16' ' ' LEU . 90.6 mt -65.99 -33.56 76.1 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 124.11 0.881 . . . . 63.22 112.009 -176.859 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 117' ' ' LYS . . . . . 0.436 ' HE3' ' HA ' ' B' ' 114' ' ' GLU . 0.0 OUTLIER -69.73 -39.68 76.65 Favored 'General case' 0 N--CA 1.487 1.423 0 CA-C-N 118.135 0.425 . . . . 71.25 110.656 173.057 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -66.6 -46.08 77.1 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.219 0.608 . . . . 73.22 110.9 -176.328 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 119' ' ' GLN . . . . . 0.494 HE22 ' HB3' ' A' ' 20' ' ' LEU . 5.1 pp0? -71.16 -39.84 71.67 Favored 'General case' 0 C--N 1.345 0.387 0 CA-C-N 115.265 -0.88 . . . . 75.32 111.039 -176.243 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.5 -38.69 81.18 Favored 'General case' 0 C--N 1.36 1.052 0 N-CA-C 108.999 -0.741 . . . . 73.22 108.999 -179.139 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 15.3 t60 -56.58 -48.14 78.03 Favored 'General case' 0 C--N 1.359 1.002 0 O-C-N 124.039 0.837 . . . . 74.5 109.548 178.247 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -58.63 -54.25 49.19 Favored 'General case' 0 C--N 1.349 0.563 0 O-C-N 124.5 1.125 . . . . 73.3 110.505 176.641 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 123' ' ' THR . . . . . 0.53 HG22 HG22 ' A' ' 23' ' ' THR . 18.6 m -65.45 -26.81 68.12 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 123.5 0.72 . . . . 75.22 111.978 -174.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 124' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -73.21 -44.9 58.92 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 109.318 -0.623 . . . . 72.42 109.318 176.365 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 125' ' ' MET . . . . . . . . . . . . . 11.7 mmt -68.47 -25.27 64.9 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.243 0.617 . . . . 74.31 111.611 176.771 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -66.8 -49.26 66.41 Favored 'General case' 0 C--N 1.352 0.698 0 N-CA-C 108.839 -0.8 . . . . 74.44 108.839 170.078 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 127' ' ' LEU . . . . . 0.488 HD22 HG23 ' A' ' 23' ' ' THR . 32.2 tp -63.87 -31.82 73.12 Favored 'General case' 0 CA--C 1.554 1.132 0 C-N-CA 124.274 1.03 . . . . 71.0 111.011 -179.241 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 128' ' ' THR . . . . . . . . . . . . . 47.0 m -73.65 -45.88 50.03 Favored 'General case' 0 C--N 1.356 0.867 0 C-N-CA 124.118 0.967 . . . . 74.42 109.764 178.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -58.88 -42.74 90.21 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.03 0.932 . . . . 73.52 110.127 175.427 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 130' ' ' LEU . . . . . 0.411 ' HB3' HD23 ' A' ' 30' ' ' LEU . 2.8 mm? -67.66 -40.92 84.46 Favored 'General case' 0 C--O 1.226 -0.158 0 CA-C-N 115.42 -0.809 . . . . 75.43 111.399 -177.3 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.78 -28.86 67.16 Favored 'General case' 0 CA--C 1.556 1.207 0 N-CA-C 109.185 -0.672 . . . . 55.41 109.185 179.667 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 132' ' ' LEU . . . . . 0.406 ' O ' ' HG3' ' B' ' 136' ' ' LYS . 59.0 tp -68.57 -41.53 79.59 Favored 'General case' 0 C--N 1.357 0.934 0 C-N-CA 123.597 0.759 . . . . 74.33 110.259 171.329 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 133' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -66.7 -32.79 74.33 Favored 'General case' 0 N--CA 1.479 0.988 0 O-C-N 122.255 -0.278 . . . . 72.12 110.437 177.496 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 134' ' ' LEU . . . . . 0.45 HD22 HD23 ' A' ' 34' ' ' LEU . 1.9 mm? -62.27 -52.86 62.01 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.483 0.713 . . . . 72.23 110.51 178.715 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 135' ' ' GLU . . . . . 0.565 ' HB3' ' HD3' ' B' ' 140' ' ' ARG . 12.1 pt-20 -66.01 -22.77 66.47 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 111.903 0.335 . . . . 74.32 111.903 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 136' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' B' ' 132' ' ' LEU . 9.2 mtpm? -70.74 -38.79 73.56 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 122.924 0.49 . . . . 74.42 111.515 170.759 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -84.92 -26.02 27.52 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 123.447 0.699 . . . . 73.22 112.451 -176.315 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 138' ' ' THR . . . . . 0.441 HG23 ' H ' ' B' ' 140' ' ' ARG . 9.9 t -167.68 -158.51 0.27 Allowed 'General case' 0 CA--C 1.559 1.313 0 C-N-CA 123.889 0.876 . . . . 71.43 109.181 -166.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -91.45 -10.68 40.04 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.641 0.776 . . . . 64.42 112.62 -177.419 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 140' ' ' ARG . . . . . 0.565 ' HD3' ' HB3' ' B' ' 135' ' ' GLU . 21.8 ptt-85 61.72 -179.17 0.12 Allowed 'General case' 0 N--CA 1.507 2.391 0 C-N-CA 126.353 1.861 . . . . 54.41 114.047 177.194 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 141' ' ' GLN . . . . . 0.466 ' HG3' ' HG3' ' B' ' 143' ' ' ARG . 10.6 pt20 -88.55 159.86 17.72 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 114.841 -1.072 . . . . 73.41 110.718 173.017 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -104.4 46.93 0.89 Allowed 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 115.338 -0.846 . . . . 71.24 111.051 -167.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 143' ' ' ARG . . . . . 0.466 ' HG3' ' HG3' ' B' ' 141' ' ' GLN . 14.4 mtp180 -64.74 -55.42 19.94 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 108.242 -1.022 . . . . 75.15 108.242 169.109 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 144' ' ' PHE . . . . . . . . . . . . . 57.6 t80 . . . . . 0 C--O 1.248 1.003 0 CA-C-N 113.517 -1.674 . . . . 72.22 106.537 175.255 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.405 ' O ' ' HG3' ' A' ' 4' ' ' LYS . 7.6 m-20 . . . . . 0 N--CA 1.482 1.138 0 N-CA-C 111.876 0.325 . . . . 74.43 111.876 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -56.22 -15.37 3.74 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 114.901 1.445 . . . . 63.43 114.901 -176.685 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.35 -41.33 80.87 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-N 119.028 0.831 . . . . 75.54 109.768 173.415 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.435 ' O ' ' HG2' ' A' ' 8' ' ' GLN . 0.1 OUTLIER -74.37 -24.72 59.2 Favored 'General case' 0 C--N 1.358 0.976 0 CA-C-O 118.793 -0.622 . . . . 44.41 110.018 178.776 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 34.8 tp -53.82 -47.85 70.47 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 122.648 0.379 . . . . 70.52 110.464 172.382 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -54.38 -50.96 66.28 Favored 'General case' 0 C--N 1.353 0.732 0 O-C-N 124.425 1.078 . . . . 73.41 109.949 175.043 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -59.32 -35.08 73.16 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.44 1.096 . . . . 62.52 112.772 -179.569 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.435 ' HG2' ' O ' ' A' ' 4' ' ' LYS . 11.9 mm-40 -66.32 -62.71 1.33 Allowed 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 122.952 0.501 . . . . 54.35 111.714 -177.365 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.509 HD11 ' CD2' ' B' ' 106' ' ' TYR . 3.2 mt -59.28 -43.63 90.35 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.954 0 O-C-N 123.853 0.72 . . . . 64.42 111.076 178.62 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.99 -31.68 72.41 Favored 'General case' 0 N--CA 1.49 1.575 0 C-N-CA 123.826 0.85 . . . . 52.32 110.976 -176.569 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.72 -43.37 98.98 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-O 121.053 0.454 . . . . 41.53 109.862 174.677 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.459 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 2.3 tp10 -69.66 -37.09 76.58 Favored 'General case' 0 C--O 1.213 -0.817 0 CA-C-N 114.984 -1.007 . . . . 74.43 110.787 175.83 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -66.45 -45.22 80.54 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 124.874 1.27 . . . . 73.22 110.821 -173.735 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -67.29 -45.22 77.22 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 114.713 -1.131 . . . . 64.35 110.57 176.118 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.7 ttpt -52.58 -43.69 65.43 Favored 'General case' 0 CA--C 1.549 0.907 0 O-C-N 123.707 0.629 . . . . 73.22 110.585 173.543 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 12' ' ' GLU . 94.6 mt -69.75 -32.05 70.35 Favored 'General case' 0 C--N 1.356 0.864 0 C-N-CA 123.91 0.884 . . . . 72.53 111.161 -179.693 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.43 ' HB3' ' HE3' ' A' ' 17' ' ' LYS . 0.2 OUTLIER -68.48 -33.6 74.45 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 123.447 0.699 . . . . 74.41 110.231 174.302 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.56 -52.03 14.91 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.409 0.683 . . . . 72.35 110.922 -177.688 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -66.9 -36.61 82.67 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.269 0.628 . . . . 62.22 112.113 -179.21 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.26 -45.41 88.21 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 109.047 -0.723 . . . . 72.11 109.047 176.148 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 45.6 t-80 -60.2 -42.94 96.15 Favored 'General case' 0 C--N 1.35 0.62 0 O-C-N 124.167 0.917 . . . . 72.33 109.987 -175.634 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -69.87 -37.45 76.1 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 115.708 -0.678 . . . . 72.03 111.296 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.508 ' HA ' ' HG2' ' A' ' 26' ' ' GLU . 16.2 m -72.97 -29.58 63.17 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 122.594 0.358 . . . . 74.12 110.458 178.308 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -71.08 -43.88 66.85 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 109.202 -0.666 . . . . 72.35 109.202 177.774 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 15.8 mmt -63.36 -50.07 71.38 Favored 'General case' 0 C--N 1.346 0.456 0 CA-C-N 116.233 -0.44 . . . . 72.44 111.109 178.099 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.508 ' HG2' ' HA ' ' A' ' 23' ' ' THR . 12.8 pt-20 -68.36 -27.03 65.89 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-O 119.31 -0.376 . . . . 71.45 111.157 -177.743 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 63.3 tp -70.52 -40.88 73.24 Favored 'General case' 0 C--N 1.356 0.868 0 C-N-CA 123.361 0.664 . . . . 63.55 110.636 173.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 87.7 m -63.83 -43.99 94.56 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.294 0.638 . . . . 44.05 109.849 177.468 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.506 ' O ' ' HG3' ' A' ' 33' ' ' GLN . 5.5 m-20 -59.91 -52.18 66.52 Favored 'General case' 0 C--N 1.345 0.407 0 CA-C-N 115.131 -0.941 . . . . 64.31 109.64 173.354 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.528 HD12 ' HB3' ' B' ' 130' ' ' LEU . 0.3 OUTLIER -64.74 -41.6 95.81 Favored 'General case' 0 C--O 1.207 -1.159 0 O-C-N 123.653 0.596 . . . . 43.24 109.449 -170.711 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.419 ' HE2' ' HB2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -69.15 -36.77 77.77 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 110.126 -0.324 . . . . 72.41 110.126 -176.151 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.412 ' O ' ' HG2' ' A' ' 35' ' ' GLU . 39.7 tp -66.56 -56.52 10.41 Favored 'General case' 0 C--N 1.356 0.879 0 O-C-N 123.83 0.706 . . . . 74.25 110.766 179.584 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.506 ' HG3' ' O ' ' A' ' 29' ' ' ASP . 0.4 OUTLIER -65.82 -34.23 77.68 Favored 'General case' 0 C--O 1.25 1.08 0 O-C-N 122.242 -0.286 . . . . 72.04 111.532 -179.143 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.514 HD23 ' HA ' ' B' ' 134' ' ' LEU . 0.6 OUTLIER -53.56 -60.93 2.68 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-O 118.179 -0.915 . . . . 54.3 109.733 178.578 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.412 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 12.7 pt-20 -63.74 -28.04 69.61 Favored 'General case' 0 N--CA 1.481 1.124 0 O-C-N 126.413 2.32 . . . . 75.23 112.039 -176.562 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.401 ' HD3' ' HA ' ' A' ' 33' ' ' GLN . 59.5 mtpt -68.02 -12.38 60.69 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 123.273 0.629 . . . . 71.23 110.993 170.343 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 81.9 52.8 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 126.185 1.794 . . . . 74.23 108.314 170.507 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 6.1 t -79.17 -174.62 4.21 Favored 'General case' 0 N--CA 1.487 1.401 0 CA-C-N 113.568 -1.651 . . . . 75.23 112.77 -168.196 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.0 pm0 -126.83 -41.68 1.81 Allowed 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.624 1.17 . . . . 51.53 109.681 170.655 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 24.5 ptt180 -127.69 -176.58 3.81 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-O 121.511 0.672 . . . . 74.23 110.409 -174.261 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.432 ' HB3' ' OE1' ' A' ' 33' ' ' GLN . 0.0 OUTLIER -146.3 -179.05 6.47 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.015 1.326 . . . . 72.44 108.266 175.09 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -112.5 74.93 0.89 Allowed 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 108.291 -1.003 . . . . 54.12 108.291 173.004 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.478 ' HE ' ' HA ' ' A' ' 43' ' ' ARG . 0.1 OUTLIER -133.51 -51.68 0.87 Allowed 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 114.506 -1.225 . . . . 63.14 109.66 -174.725 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 48.4 t80 . . . . . 0 N--CA 1.476 0.847 0 C-N-CA 123.323 0.649 . . . . 75.13 109.867 176.459 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 101' ' ' ASP . . . . . 0.421 ' O ' ' HG3' ' B' ' 104' ' ' LYS . 8.5 m-20 . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 121.632 0.73 . . . . 75.53 109.656 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 102' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -81.52 -8.77 59.77 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.486 1.114 . . . . 75.4 112.731 -168.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.62 -36.79 74.62 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 109.793 -0.447 . . . . 73.12 109.793 176.184 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 104' ' ' LYS . . . . . 0.427 ' O ' ' HG2' ' B' ' 108' ' ' GLN . 0.0 OUTLIER -68.47 -35.04 76.99 Favored 'General case' 0 C--N 1.361 1.068 0 CA-C-O 118.559 -0.734 . . . . 55.2 110.835 179.11 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.3 -39.66 95.2 Favored 'General case' 0 C--N 1.369 1.455 0 N-CA-C 108.399 -0.963 . . . . 75.05 108.399 -179.118 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 106' ' ' TYR . . . . . 0.509 ' CD2' HD11 ' A' ' 9' ' ' ILE . 34.1 t80 -61.79 -42.62 99.23 Favored 'General case' 0 C--N 1.359 0.979 0 O-C-N 124.102 0.876 . . . . 73.44 109.161 176.12 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -63.2 -45.3 92.37 Favored 'General case' 0 C--O 1.213 -0.823 0 C-N-CA 123.088 0.555 . . . . 74.12 111.386 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 108' ' ' GLN . . . . . 0.427 ' HG2' ' O ' ' B' ' 104' ' ' LYS . 14.3 mm-40 -67.3 -57.5 6.54 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 122.484 0.313 . . . . 61.54 111.169 -172.485 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 13.9 mt -71.53 -38.18 66.84 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.831 0 CA-C-N 115.513 -0.767 . . . . 73.34 111.011 -172.291 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 110' ' ' LEU . . . . . 0.439 ' HA ' ' HB3' ' B' ' 113' ' ' ASN . 1.5 tm? -74.61 -31.9 62.16 Favored 'General case' 0 N--CA 1.493 1.682 0 C-N-CA 123.005 0.522 . . . . 75.33 110.282 -178.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.89 -44.99 87.83 Favored 'General case' 0 N--CA 1.483 1.211 0 CA-C-O 120.961 0.41 . . . . 71.31 109.901 173.651 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 112' ' ' GLU . . . . . 0.495 ' O ' ' HG ' ' B' ' 116' ' ' LEU . 38.4 tp10 -63.32 -39.82 95.63 Favored 'General case' 0 C--O 1.209 -1.076 0 CA-C-N 115.005 -0.998 . . . . 74.43 110.538 173.548 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 113' ' ' ASN . . . . . 0.439 ' HB3' ' HA ' ' B' ' 110' ' ' LEU . 3.8 t30 -63.48 -38.24 90.36 Favored 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 124.709 1.204 . . . . 74.23 110.954 -178.476 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -67.24 -44.97 78.11 Favored 'General case' 0 C--O 1.243 0.743 0 C-N-CA 124.153 0.981 . . . . 62.43 110.11 175.023 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 20.7 ttpt -56.97 -43.01 81.19 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 115.664 -0.698 . . . . 74.13 109.908 174.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 116' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' B' ' 112' ' ' GLU . 97.8 mt -65.26 -36.92 85.59 Favored 'General case' 0 C--N 1.353 0.76 0 O-C-N 124.276 0.985 . . . . 55.52 110.82 -179.09 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.96 -42.09 97.39 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 123.673 0.789 . . . . 73.34 109.895 177.026 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -75.18 -38.89 60.66 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 115.9 -0.591 . . . . 73.22 111.683 -175.002 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -74.89 -38.53 61.85 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 122.984 0.514 . . . . 71.32 111.059 -177.552 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 2.9 pp -64.79 -39.04 92.94 Favored 'General case' 0 C--N 1.367 1.343 0 N-CA-C 108.659 -0.867 . . . . 73.51 108.659 177.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 12.2 t60 -57.27 -49.68 75.3 Favored 'General case' 0 C--N 1.355 0.805 0 O-C-N 124.522 1.139 . . . . 72.41 109.224 178.116 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 122' ' ' ASP . . . . . 0.493 ' O ' ' HG2' ' B' ' 126' ' ' GLU . 26.6 t70 -59.66 -48.12 82.93 Favored 'General case' 0 C--N 1.351 0.647 0 O-C-N 124.505 1.128 . . . . 73.35 110.761 179.038 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 123' ' ' THR . . . . . 0.487 HG22 HG22 ' A' ' 23' ' ' THR . 27.0 m -67.09 -33.41 75.43 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.676 0.79 . . . . 72.35 111.416 -175.613 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 124' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -71.23 -38.18 72.0 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.344 0.658 . . . . 73.43 109.454 176.179 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 125' ' ' MET . . . . . . . . . . . . . 1.5 mmt -69.46 -32.19 70.95 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.546 0.739 . . . . 74.53 111.656 176.556 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 126' ' ' GLU . . . . . 0.493 ' HG2' ' O ' ' B' ' 122' ' ' ASP . 11.7 mm-40 -64.66 -45.38 86.99 Favored 'General case' 0 C--O 1.215 -0.738 0 N-CA-C 108.651 -0.87 . . . . 74.12 108.651 173.366 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 37.0 tp -66.13 -33.69 76.35 Favored 'General case' 0 CA--C 1.553 1.08 0 C-N-CA 123.677 0.791 . . . . 73.31 111.49 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 128' ' ' THR . . . . . 0.492 ' O ' ' HG3' ' B' ' 131' ' ' LYS . 55.4 m -73.18 -36.37 66.57 Favored 'General case' 0 N--CA 1.484 1.232 0 CA-C-O 121.502 0.667 . . . . 74.15 110.058 177.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 129' ' ' ASP . . . . . 0.441 ' O ' ' HG3' ' B' ' 133' ' ' GLN . 20.5 t70 -69.32 -35.64 76.15 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 115.737 -0.665 . . . . 72.42 109.505 173.708 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 130' ' ' LEU . . . . . 0.528 ' HB3' HD12 ' A' ' 30' ' ' LEU . 1.1 mm? -71.96 -35.68 69.64 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 123.995 0.918 . . . . 65.32 111.513 -177.639 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 131' ' ' LYS . . . . . 0.492 ' HG3' ' O ' ' B' ' 128' ' ' THR . 0.1 OUTLIER -73.39 -30.6 63.37 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 108.967 -0.753 . . . . 62.31 108.967 177.13 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 51.0 tp -65.53 -46.08 80.98 Favored 'General case' 0 C--N 1.356 0.876 0 CA-C-N 116.121 -0.49 . . . . 74.55 109.886 174.713 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 133' ' ' GLN . . . . . 0.441 ' HG3' ' O ' ' B' ' 129' ' ' ASP . 55.8 mt-30 -63.05 -35.38 80.05 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 116.164 -0.471 . . . . 65.43 109.817 174.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 134' ' ' LEU . . . . . 0.514 ' HA ' HD23 ' A' ' 34' ' ' LEU . 1.4 tm? -59.47 -61.19 2.81 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 124.199 0.999 . . . . 75.31 109.472 -176.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 135' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -59.01 -37.5 77.04 Favored 'General case' 0 CA--C 1.55 0.951 0 O-C-N 124.327 1.017 . . . . 62.35 111.093 -178.14 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 9.0 mtpm? -70.39 -32.7 70.47 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.261 0.624 . . . . 51.32 111.887 178.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -92.16 -8.36 45.8 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 122.93 0.492 . . . . 74.23 111.665 -177.174 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 138' ' ' THR . . . . . 0.432 HG22 ' O ' ' B' ' 134' ' ' LEU . 6.0 t -126.08 172.37 10.05 Favored 'General case' 0 C--N 1.354 0.78 0 CA-C-O 122.074 0.94 . . . . 75.44 112.68 -178.574 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 4.5 pm0 -102.64 -10.01 19.61 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 125.909 1.684 . . . . 74.01 109.836 174.583 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 140' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -78.09 -162.22 0.32 Allowed 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.853 1.261 . . . . 70.13 110.989 -176.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 5.3 pm0 -56.01 163.22 1.59 Allowed 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 113.658 0.984 . . . . 72.02 113.658 -177.439 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -79.4 -23.05 43.51 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 113.746 -1.57 . . . . 74.54 109.193 175.022 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 82.06 -73.07 0.04 OUTLIER 'General case' 0 C--N 1.355 0.834 0 C-N-CA 126.177 1.791 . . . . 73.05 109.825 175.289 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 144' ' ' PHE . . . . . . . . . . . . . 67.9 t80 . . . . . 0 CA--C 1.552 1.023 0 C-N-CA 123.755 0.822 . . . . 72.21 109.453 -174.787 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.446 ' O ' ' HG3' ' A' ' 4' ' ' LYS . 1.1 m-20 . . . . . 0 N--CA 1.485 1.29 0 N-CA-C 111.281 0.104 . . . . 71.25 111.281 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.436 ' HD1' HD22 ' A' ' 5' ' ' LEU . 54.4 m-85 -62.89 -14.45 46.56 Favored 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 114.475 1.287 . . . . 70.34 114.475 -170.45 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.63 -43.62 98.36 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 109.587 -0.523 . . . . 72.11 109.587 173.865 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.446 ' HG3' ' O ' ' A' ' 1' ' ' ASP . 0.1 OUTLIER -81.8 -26.28 34.53 Favored 'General case' 0 C--O 1.211 -0.965 0 CA-C-O 118.725 -0.655 . . . . 72.14 109.649 -178.162 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.436 HD22 ' HD1' ' A' ' 2' ' ' PHE . 19.5 tp -54.69 -48.76 72.03 Favored 'General case' 0 N--CA 1.491 1.604 0 CA-C-O 121.304 0.573 . . . . 75.01 109.604 176.513 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -54.54 -51.86 63.85 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-N 113.743 -1.571 . . . . 73.21 109.927 173.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -60.1 -36.26 77.03 Favored 'General case' 0 C--O 1.216 -0.675 0 O-C-N 124.127 0.892 . . . . 65.11 112.793 -176.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 -63.84 -63.96 1.02 Allowed 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 122.657 0.383 . . . . 73.14 110.719 -175.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.557 HD13 ' HB2' ' B' ' 110' ' ' LEU . 18.5 mt -60.91 -41.03 87.32 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.033 0 CA-C-O 119.321 -0.371 . . . . 32.11 111.396 178.514 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.16 -30.23 70.67 Favored 'General case' 0 N--CA 1.491 1.576 0 C-N-CA 123.324 0.65 . . . . 72.12 110.757 -177.233 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.48 -50.74 68.49 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 122.601 0.36 . . . . 74.5 110.48 179.052 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.468 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 36.6 tt0 -67.67 -38.16 83.35 Favored 'General case' 0 C--O 1.213 -0.84 0 CA-C-N 116.196 -0.456 . . . . 62.31 109.961 176.564 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -60.09 -37.88 81.25 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 124.543 1.137 . . . . 63.4 110.854 -179.626 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -65.39 -49.91 67.51 Favored 'General case' 0 C--O 1.242 0.683 0 C-N-CA 124.449 1.1 . . . . 74.32 109.902 175.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.6 ttpt -55.31 -42.0 73.14 Favored 'General case' 0 C--O 1.211 -0.944 0 O-C-N 124.3 1.0 . . . . 74.31 109.778 176.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.475 ' HB3' ' HB3' ' B' ' 116' ' ' LEU . 95.3 mt -65.91 -37.2 85.47 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.616 1.166 . . . . 64.23 111.317 -176.678 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.487 ' HA ' HD23 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -66.46 -36.71 83.44 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 115.857 -0.611 . . . . 73.13 109.665 176.174 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.25 -51.09 16.37 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 115.459 -0.791 . . . . 44.15 111.055 -175.072 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -66.71 -34.25 77.43 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.738 0.815 . . . . 43.35 112.053 -178.732 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.487 HD23 ' HA ' ' A' ' 17' ' ' LYS . 0.5 OUTLIER -67.46 -41.84 84.0 Favored 'General case' 0 C--N 1.351 0.673 0 N-CA-C 108.409 -0.96 . . . . 72.54 108.409 176.275 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -58.41 -41.58 85.28 Favored 'General case' 0 C--N 1.357 0.911 0 O-C-N 123.813 0.695 . . . . 73.01 109.998 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -62.17 -57.28 12.1 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 123.417 0.448 . . . . 63.11 110.546 175.76 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.565 HG22 HG22 ' B' ' 123' ' ' THR . 22.4 m -60.9 -30.72 70.35 Favored 'General case' 0 CA--C 1.548 0.892 0 O-C-N 124.31 1.006 . . . . 73.25 111.847 -174.358 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.465 ' OD1' HG21 ' B' ' 123' ' ' THR . 3.3 m-20 -74.36 -48.67 26.64 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.554 0.742 . . . . 72.44 109.512 177.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 9.3 mmt -63.11 -43.82 97.39 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.354 0.662 . . . . 70.13 111.956 -179.12 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -78.7 -22.03 47.25 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 122.773 0.429 . . . . 52.52 110.614 -177.153 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.8 tt -65.2 -40.86 94.75 Favored 'General case' 0 C--N 1.354 0.803 0 N-CA-C 108.904 -0.776 . . . . 61.31 108.904 166.649 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 20.3 m -63.46 -42.87 98.63 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 123.243 0.617 . . . . 74.12 110.188 179.169 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -59.45 -47.81 84.05 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-N 115.807 -0.633 . . . . 75.24 110.097 170.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.1 mp -62.65 -39.87 95.23 Favored 'General case' 0 C--O 1.214 -0.81 0 O-C-N 124.454 1.097 . . . . 72.21 111.866 -173.761 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.13 -34.67 59.43 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 122.685 0.394 . . . . 72.11 111.158 -177.634 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 63.3 tp -68.16 -49.38 61.33 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 124.156 0.91 . . . . 71.34 110.057 -177.647 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -69.37 -40.6 77.34 Favored 'General case' 0 CA--C 1.55 0.974 0 CA-C-N 115.517 -0.765 . . . . 73.11 109.86 179.284 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -52.65 -56.29 16.46 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-O 118.073 -0.965 . . . . 54.41 109.794 -177.05 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -63.68 -28.63 70.03 Favored 'General case' 0 CA--C 1.555 1.14 0 O-C-N 126.385 2.303 . . . . 72.34 112.777 -179.408 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -66.29 -15.18 63.01 Favored 'General case' 0 N--CA 1.498 1.941 0 C-N-CA 122.357 0.263 . . . . 74.34 111.413 167.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 81.7 56.74 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 126.566 1.946 . . . . 70.03 108.164 178.009 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 9.2 m -86.09 136.36 33.25 Favored 'General case' 0 N--CA 1.486 1.339 0 CA-C-N 114.204 -1.362 . . . . 65.51 113.107 -171.007 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.442 ' HA ' HG21 ' B' ' 138' ' ' THR . 12.0 pt20 -98.33 -51.85 3.85 Favored 'General case' 0 C--N 1.351 0.665 0 C-N-CA 124.44 1.096 . . . . 75.45 110.574 177.839 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.524 ' HD2' ' HB3' ' B' ' 141' ' ' GLN . 9.8 tpt180 -117.5 138.28 51.98 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.163 0.585 . . . . 73.34 110.476 -179.779 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 20.1 pm0 -136.4 -163.73 1.45 Allowed 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.213 1.005 . . . . 73.31 108.685 175.664 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -143.18 -40.04 0.32 Allowed 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.301 0.64 . . . . 72.2 110.365 175.019 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 72.3 mtm180 73.65 -56.0 0.66 Allowed 'General case' 0 N--CA 1.493 1.722 0 C-N-CA 125.773 1.629 . . . . 75.41 111.449 -175.045 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 65.7 t80 . . . . . 0 N--CA 1.476 0.839 0 C-N-CA 123.996 0.918 . . . . 63.2 110.988 178.369 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 . . . . . 0 N--CA 1.47 0.552 0 CA-C-O 120.831 0.348 . . . . 63.43 110.79 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 102' ' ' PHE . . . . . 0.447 ' O ' ' HG ' ' B' ' 105' ' ' LEU . 98.5 m-85 -110.28 -20.84 12.5 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.7 0.8 . . . . 64.15 111.913 -175.736 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 103' ' ' LYS . . . . . 0.428 ' H ' ' HD2' ' B' ' 103' ' ' LYS . 0.0 OUTLIER -56.56 -37.15 70.15 Favored 'General case' 0 N--CA 1.481 1.122 0 CA-C-O 121.28 0.562 . . . . 62.14 109.728 174.931 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 104' ' ' LYS . . . . . 0.491 ' O ' ' HG2' ' B' ' 108' ' ' GLN . 0.0 OUTLIER -68.43 -35.45 77.64 Favored 'General case' 0 C--O 1.211 -0.955 0 CA-C-N 114.718 -1.128 . . . . 75.24 110.857 179.36 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 105' ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' B' ' 102' ' ' PHE . 0.5 OUTLIER -60.94 -42.92 99.13 Favored 'General case' 0 C--N 1.376 1.721 0 N-CA-C 108.754 -0.832 . . . . 73.24 108.754 179.166 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 106' ' ' TYR . . . . . 0.507 ' CD2' HD11 ' A' ' 9' ' ' ILE . 44.4 t80 -57.01 -47.46 80.82 Favored 'General case' 0 C--N 1.356 0.877 0 CA-C-N 114.906 -1.043 . . . . 75.23 109.906 177.459 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -68.48 -42.57 78.5 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 123.83 0.852 . . . . 53.55 113.114 -177.537 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 108' ' ' GLN . . . . . 0.491 ' HG2' ' O ' ' B' ' 104' ' ' LYS . 11.5 mm-40 -66.09 -51.51 57.4 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 122.665 0.386 . . . . 72.54 110.859 -174.203 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 18.0 mt -69.0 -38.1 78.04 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.731 0 CA-C-N 115.993 -0.549 . . . . 64.23 110.702 -178.172 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 110' ' ' LEU . . . . . 0.557 ' HB2' HD13 ' A' ' 9' ' ' ILE . 20.8 tp -74.17 -27.19 60.71 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 122.504 0.322 . . . . 71.4 111.614 -178.822 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -67.0 -41.49 86.62 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-O 120.828 0.347 . . . . 75.41 110.067 172.017 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 112' ' ' GLU . . . . . 0.489 ' O ' ' HG ' ' B' ' 116' ' ' LEU . 24.9 tp10 -67.82 -41.75 82.58 Favored 'General case' 0 C--O 1.211 -0.945 0 CA-C-N 115.284 -0.871 . . . . 75.41 110.357 175.563 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 34.5 t-20 -65.38 -42.2 92.96 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 124.686 1.194 . . . . 54.34 110.332 -177.68 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -59.01 -47.63 84.51 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.372 1.069 . . . . 74.32 110.432 173.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 29.9 ttpt -58.16 -47.12 84.37 Favored 'General case' 0 C--N 1.347 0.479 0 CA-C-N 115.343 -0.844 . . . . 64.14 109.976 177.368 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 116' ' ' LEU . . . . . 0.489 ' HG ' ' O ' ' B' ' 112' ' ' GLU . 95.4 mt -64.03 -29.39 70.54 Favored 'General case' 0 C--N 1.351 0.667 0 O-C-N 124.049 0.843 . . . . 64.11 110.901 -176.759 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 117' ' ' LYS . . . . . 0.461 ' HA ' HD23 ' B' ' 120' ' ' LEU . 0.2 OUTLIER -68.87 -44.39 73.4 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 123.758 0.823 . . . . 74.11 110.29 176.514 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -70.26 -45.74 65.81 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 115.175 -0.921 . . . . 61.4 111.3 -176.401 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.91 -31.77 64.89 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.753 0.821 . . . . 63.43 111.494 -175.265 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 120' ' ' LEU . . . . . 0.461 HD23 ' HA ' ' B' ' 117' ' ' LYS . 0.9 OUTLIER -67.36 -43.79 80.57 Favored 'General case' 0 C--N 1.359 0.979 0 N-CA-C 109.105 -0.702 . . . . 72.34 109.105 175.709 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 44.3 t-80 -60.23 -37.63 80.92 Favored 'General case' 0 C--N 1.357 0.898 0 O-C-N 123.984 0.803 . . . . 75.33 110.221 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 122' ' ' ASP . . . . . 0.523 ' O ' ' HG2' ' B' ' 126' ' ' GLU . 20.3 t70 -59.14 -60.91 3.1 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 114.502 -1.227 . . . . 75.53 110.385 171.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 123' ' ' THR . . . . . 0.565 HG22 HG22 ' A' ' 23' ' ' THR . 16.8 m -61.47 -26.02 67.63 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 122.966 0.507 . . . . 75.31 112.108 -176.387 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 124' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -71.45 -42.21 68.47 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.375 0.67 . . . . 64.25 110.535 177.582 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 125' ' ' MET . . . . . 0.492 ' HG2' ' O ' ' B' ' 122' ' ' ASP . 22.5 ptp -74.2 -27.19 60.69 Favored 'General case' 0 C--N 1.358 0.949 0 N-CA-C 110.3 -0.259 . . . . 71.11 110.3 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 126' ' ' GLU . . . . . 0.523 ' HG2' ' O ' ' B' ' 122' ' ' ASP . 8.8 mm-40 -68.67 -42.88 77.25 Favored 'General case' 0 C--N 1.354 0.769 0 N-CA-C 109.199 -0.667 . . . . 72.21 109.199 173.734 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 9.3 tt -62.5 -38.74 91.08 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.479 0.712 . . . . 70.02 109.975 176.764 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 128' ' ' THR . . . . . . . . . . . . . 84.2 m -64.48 -36.55 84.56 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.681 0.792 . . . . 71.33 110.964 176.375 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 129' ' ' ASP . . . . . 0.415 ' O ' ' HG3' ' B' ' 133' ' ' GLN . 13.3 t70 -62.76 -47.72 82.3 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.055 0.542 . . . . 71.03 109.894 174.057 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 130' ' ' LEU . . . . . 0.415 HD13 ' HA ' ' B' ' 130' ' ' LEU . 3.2 mm? -60.09 -37.92 81.38 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 123.904 0.753 . . . . 53.12 111.823 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 131' ' ' LYS . . . . . 0.565 ' O ' ' HG3' ' B' ' 135' ' ' GLU . 9.7 mtmp? -60.92 -55.16 36.23 Favored 'General case' 0 C--N 1.354 0.769 0 N-CA-C 109.476 -0.564 . . . . 75.14 109.476 173.693 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 42.2 tp -52.29 -39.11 60.07 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 124.971 1.42 . . . . 72.11 111.487 -176.49 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 133' ' ' GLN . . . . . 0.415 ' HG3' ' O ' ' B' ' 129' ' ' ASP . 59.4 mt-30 -69.24 -36.92 77.67 Favored 'General case' 0 C--O 1.215 -0.727 0 C-N-CA 122.672 0.389 . . . . 64.52 111.005 178.283 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 54.8 mt -62.08 -38.97 90.85 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 123.091 0.556 . . . . 74.44 110.473 173.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 135' ' ' GLU . . . . . 0.565 ' HG3' ' O ' ' B' ' 131' ' ' LYS . 17.3 mt-10 -68.7 -39.09 80.66 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.822 0.849 . . . . 71.34 109.943 -178.607 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -72.01 -55.05 8.09 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 114.591 -1.186 . . . . 75.4 112.317 178.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -60.69 -31.94 71.18 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 124.596 1.158 . . . . 73.43 111.55 -176.083 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 138' ' ' THR . . . . . 0.442 HG21 ' HA ' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -147.82 -83.93 0.11 Allowed 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.35 0.66 . . . . 74.21 110.161 179.617 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -166.58 -25.87 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.119 0 CA-C-O 118.753 -0.642 . . . . 55.1 112.554 -174.627 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 140' ' ' ARG . . . . . . . . . . . . . 19.9 ttt180 70.27 146.55 0.06 Allowed 'General case' 0 N--CA 1.493 1.711 0 C-N-CA 124.056 0.942 . . . . 74.4 110.394 -175.157 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 141' ' ' GLN . . . . . 0.524 ' HB3' ' HD2' ' A' ' 40' ' ' ARG . 4.3 pt20 -59.3 154.44 16.57 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 122.814 0.446 . . . . 63.3 112.053 176.432 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -88.85 73.44 8.4 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.814 0.846 . . . . 74.5 110.38 -172.236 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -91.68 -72.12 0.6 Allowed 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 115.194 -0.912 . . . . 74.24 109.83 172.292 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 144' ' ' PHE . . . . . . . . . . . . . 48.2 t80 . . . . . 0 C--O 1.252 1.213 0 N-CA-C 107.999 -1.112 . . . . 73.34 107.999 176.684 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 . . . . . 0 N--CA 1.482 1.175 0 N-CA-C 111.665 0.246 . . . . 74.24 111.665 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 -87.26 -26.48 23.45 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 113.885 1.069 . . . . 72.42 113.885 -172.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.435 ' HD3' ' H ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -68.09 -40.07 82.73 Favored 'General case' 0 N--CA 1.482 1.155 0 CA-C-O 121.391 0.615 . . . . 72.31 109.484 177.6 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.455 ' O ' ' HG2' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -78.72 -30.59 45.97 Favored 'General case' 0 C--O 1.211 -0.948 0 CA-C-N 115.087 -0.96 . . . . 73.34 109.833 177.205 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.427 ' O ' HG13 ' A' ' 9' ' ' ILE . 36.0 tp -53.52 -46.26 70.04 Favored 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 122.771 0.428 . . . . 73.24 110.193 174.24 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -55.47 -49.42 72.55 Favored 'General case' 0 C--N 1.355 0.833 0 O-C-N 124.824 1.327 . . . . 72.51 109.712 176.124 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 46.8 mm-40 -59.59 -38.27 80.76 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.344 1.058 . . . . 72.25 112.496 179.006 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.455 ' HG2' ' O ' ' A' ' 4' ' ' LYS . 10.9 mm-40 -68.69 -51.91 36.63 Favored 'General case' 0 N--CA 1.483 1.201 0 O-C-N 123.545 0.528 . . . . 75.34 111.141 -175.291 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.427 HG13 ' O ' ' A' ' 5' ' ' LEU . 3.8 mt -62.85 -49.42 83.74 Favored 'Isoleucine or valine' 0 C--N 1.359 1.02 0 O-C-N 123.521 0.513 . . . . 64.12 109.892 178.519 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.18 -27.29 69.26 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 124.683 1.193 . . . . 72.54 110.603 -177.299 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.75 -56.82 17.03 Favored 'General case' 0 N--CA 1.482 1.128 0 CA-C-O 121.35 0.595 . . . . 60.43 110.22 173.317 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.503 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 27.5 tp10 -66.26 -34.29 77.66 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 115.214 -0.903 . . . . 75.33 110.592 178.494 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -67.51 -46.25 73.41 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.342 1.057 . . . . 73.44 109.991 -175.214 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.406 ' HA ' ' HE3' ' A' ' 17' ' ' LYS . 4.2 pt-20 -63.42 -37.17 86.24 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.756 0.823 . . . . 73.52 108.782 178.831 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.4 ttpt -62.01 -42.87 99.62 Favored 'General case' 0 C--N 1.362 1.149 0 CA-C-N 114.726 -1.125 . . . . 74.35 109.192 178.404 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' A' ' 12' ' ' GLU . 95.3 mt -66.45 -30.75 71.17 Favored 'General case' 0 C--N 1.358 0.953 0 O-C-N 124.138 0.899 . . . . 51.31 112.024 -177.497 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.484 ' HA ' HD23 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -73.59 -32.83 64.32 Favored 'General case' 0 N--CA 1.49 1.569 0 CA-C-N 117.869 0.304 . . . . 63.12 111.347 172.832 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.5 -52.43 21.99 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 110.07 -0.344 . . . . 54.21 110.07 -177.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -68.01 -32.69 73.25 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.839 0.856 . . . . 74.31 112.05 -178.237 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.484 HD23 ' HA ' ' A' ' 17' ' ' LYS . 0.8 OUTLIER -65.39 -42.1 93.0 Favored 'General case' 0 C--N 1.367 1.351 0 N-CA-C 108.718 -0.845 . . . . 74.12 108.718 176.389 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.556 ' O ' ' HG3' ' A' ' 25' ' ' MET . 61.8 t60 -58.26 -47.83 82.35 Favored 'General case' 0 C--N 1.359 0.991 0 O-C-N 124.489 1.118 . . . . 72.4 109.475 -179.816 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -56.4 -51.26 68.99 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 124.317 1.011 . . . . 71.14 111.384 176.663 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.588 HG23 HD22 ' B' ' 127' ' ' LEU . 18.5 m -64.03 -29.83 70.94 Favored 'General case' 0 CA--C 1.549 0.939 0 O-C-N 124.272 0.983 . . . . 71.22 111.045 -177.561 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -70.96 -50.55 33.25 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.24 0.616 . . . . 74.22 110.252 176.686 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.556 ' HG3' ' O ' ' A' ' 21' ' ' HIS . 48.6 mtm -53.04 -58.26 7.59 Favored 'General case' 0 C--N 1.36 1.031 0 C-N-CA 123.902 0.881 . . . . 71.54 111.527 177.539 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.43 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 13.4 pt-20 -64.27 -36.18 83.27 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 124.129 0.893 . . . . 73.43 111.433 -173.68 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.749 HD11 ' HB2' ' B' ' 126' ' ' GLU . 6.3 tt -60.33 -40.78 91.86 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.779 0.832 . . . . 75.32 110.762 172.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.48 HG23 ' HE2' ' A' ' 31' ' ' LYS . 81.6 m -67.11 -39.51 86.69 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.451 0.701 . . . . 74.54 110.765 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.404 ' O ' ' HG3' ' A' ' 33' ' ' GLN . 22.3 m-20 -61.21 -44.49 97.19 Favored 'General case' 0 C--O 1.25 1.095 0 O-C-N 123.695 0.622 . . . . 54.31 109.943 173.815 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' ' 26' ' ' GLU . 7.1 mt -58.55 -60.94 3.02 Favored 'General case' 0 C--N 1.366 1.287 0 O-C-N 124.735 1.272 . . . . 64.35 110.071 -178.552 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.48 ' HE2' HG23 ' A' ' 28' ' ' THR . 0.0 OUTLIER -62.71 -29.36 70.61 Favored 'General case' 0 N--CA 1.481 1.121 0 O-C-N 123.937 0.773 . . . . 62.32 112.753 -174.873 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 42.7 tp -62.71 -69.08 0.28 Allowed 'General case' 0 C--N 1.353 0.723 0 O-C-N 123.693 0.62 . . . . 70.4 109.78 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.41 ' H ' ' HG3' ' A' ' 33' ' ' GLN . 2.6 pp0? -69.97 -21.85 63.21 Favored 'General case' 0 CA--C 1.554 1.099 0 N-CA-C 111.731 0.271 . . . . 74.54 111.731 -177.367 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' B' ' 134' ' ' LEU . 0.3 OUTLIER -52.32 -68.69 0.15 Allowed 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 123.895 0.878 . . . . 73.31 110.222 175.376 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.92 -23.16 59.5 Favored 'General case' 0 C--N 1.361 1.075 0 O-C-N 125.632 1.832 . . . . 74.24 111.493 -173.043 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 58.6 mtpt -62.13 -13.73 29.86 Favored 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 122.438 0.295 . . . . 75.31 110.834 165.372 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 82.51 63.53 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.84 1.656 . . . . 74.52 108.472 167.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 9.1 t -60.92 163.98 5.31 Favored 'General case' 0 CA--C 1.555 1.141 0 CA-C-N 112.189 -2.278 . . . . 74.32 114.007 -175.034 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.33 -29.18 5.23 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.941 1.296 . . . . 62.42 110.904 -175.716 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -154.47 168.8 25.49 Favored 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 108.542 -0.91 . . . . 74.44 108.542 170.133 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.421 HE21 ' HD3' ' A' ' 43' ' ' ARG . 14.0 pt20 -147.62 -44.41 0.17 Allowed 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 109.453 -0.573 . . . . 74.21 109.453 -174.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 46.02 63.87 1.68 Allowed 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 124.87 1.268 . . . . 71.31 110.916 -178.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.421 ' HD3' HE21 ' A' ' 41' ' ' GLN . 41.0 mtm105 -64.4 -53.23 51.79 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 115.639 -0.71 . . . . 70.41 109.981 -178.307 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 60.0 t80 . . . . . 0 C--O 1.24 0.595 0 CA-C-N 115.438 -0.801 . . . . 74.13 109.441 178.057 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 . . . . . 0 N--CA 1.464 0.251 0 CA-C-O 121.72 0.771 . . . . 74.44 109.68 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 102' ' ' PHE . . . . . 0.599 ' HA ' HD23 ' B' ' 105' ' ' LEU . 47.0 m-85 -87.09 -31.17 20.62 Favored 'General case' 0 C--O 1.246 0.918 0 CA-C-N 114.648 -1.16 . . . . 64.31 111.289 -176.744 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.54 -42.04 87.79 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 108.791 -0.818 . . . . 74.43 108.791 174.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 104' ' ' LYS . . . . . 0.481 ' O ' ' HG2' ' B' ' 108' ' ' GLN . 0.0 OUTLIER -77.3 -25.89 51.75 Favored 'General case' 0 C--N 1.356 0.869 0 CA-C-O 118.132 -0.937 . . . . 55.23 110.578 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 105' ' ' LEU . . . . . 0.599 HD23 ' HA ' ' B' ' 102' ' ' PHE . 0.3 OUTLIER -59.33 -46.07 89.61 Favored 'General case' 0 C--N 1.372 1.562 0 N-CA-C 107.807 -1.182 . . . . 73.11 107.807 176.286 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 106' ' ' TYR . . . . . 0.413 ' CD1' HD11 ' A' ' 9' ' ' ILE . 33.5 t80 -61.86 -44.91 95.86 Favored 'General case' 0 C--N 1.363 1.184 0 CA-C-N 115.171 -0.922 . . . . 63.15 109.715 177.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 81.8 mm-40 -59.89 -44.72 94.05 Favored 'General case' 0 C--N 1.351 0.636 0 O-C-N 123.65 0.594 . . . . 73.53 112.12 -178.163 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 108' ' ' GLN . . . . . 0.481 ' HG2' ' O ' ' B' ' 104' ' ' LYS . 5.7 mm100 -70.06 -52.65 22.2 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 123.108 0.255 . . . . 73.11 111.37 -172.569 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 10.4 mt -71.84 -36.17 57.38 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.857 0 O-C-N 123.628 0.58 . . . . 71.34 110.543 -173.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.63 -34.64 69.98 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 122.894 0.478 . . . . 74.2 109.957 178.115 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -62.37 -43.05 99.73 Favored 'General case' 0 N--CA 1.486 1.325 0 CA-C-O 120.902 0.382 . . . . 35.24 110.157 173.298 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -64.35 -42.4 96.25 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 115.083 -0.962 . . . . 71.5 109.515 177.018 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -59.92 -38.97 83.88 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 125.374 1.47 . . . . 55.45 111.206 178.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -62.96 -48.89 76.91 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.771 1.228 . . . . 75.24 110.415 175.144 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 11.6 ttpt -62.26 -39.83 94.2 Favored 'General case' 0 C--N 1.349 0.544 0 CA-C-N 115.186 -0.915 . . . . 74.31 110.289 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 116' ' ' LEU . . . . . 0.455 HD13 ' HB2' ' A' ' 16' ' ' LEU . 81.8 mt -66.01 -33.85 76.76 Favored 'General case' 0 C--N 1.349 0.556 0 CA-C-N 114.83 -1.077 . . . . 74.32 110.57 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 16.8 ttpt -69.88 -40.64 75.55 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.411 0.685 . . . . 72.33 110.534 177.491 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -70.77 -44.23 67.12 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.133 0.573 . . . . 73.25 110.888 -176.66 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.93 -40.96 75.2 Favored 'General case' 0 C--N 1.348 0.538 0 CA-C-N 115.565 -0.743 . . . . 74.33 110.804 -178.5 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 1.4 pp -67.25 -39.43 86.15 Favored 'General case' 0 C--N 1.362 1.133 0 N-CA-C 109.405 -0.591 . . . . 63.42 109.405 -178.742 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 121' ' ' HIS . . . . . 0.49 ' O ' ' HG2' ' B' ' 125' ' ' MET . 65.4 t60 -58.49 -43.44 89.0 Favored 'General case' 0 C--N 1.356 0.885 0 O-C-N 123.863 0.727 . . . . 72.41 109.615 178.733 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 122' ' ' ASP . . . . . 0.52 ' O ' ' HG3' ' B' ' 126' ' ' GLU . 26.6 t70 -59.9 -51.1 71.14 Favored 'General case' 0 C--N 1.355 0.826 0 O-C-N 124.371 1.045 . . . . 73.53 110.459 176.382 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 123' ' ' THR . . . . . 0.532 HG22 HG22 ' A' ' 23' ' ' THR . 5.0 m -63.43 -28.87 70.27 Favored 'General case' 0 CA--C 1.557 1.227 0 C-N-CA 123.72 0.808 . . . . 72.14 111.054 -177.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 124' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -76.98 -35.47 57.17 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.724 0.81 . . . . 60.44 110.458 177.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 125' ' ' MET . . . . . 0.49 ' HG2' ' O ' ' B' ' 121' ' ' HIS . 85.1 mmm -61.94 -40.87 97.01 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.234 0.614 . . . . 75.44 110.947 174.044 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 126' ' ' GLU . . . . . 0.749 ' HB2' HD11 ' A' ' 27' ' ' LEU . 15.9 mt-10 -72.74 -33.38 66.34 Favored 'General case' 0 C--O 1.213 -0.839 0 O-C-N 123.822 0.701 . . . . 71.43 110.077 178.876 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 127' ' ' LEU . . . . . 0.588 HD22 HG23 ' A' ' 23' ' ' THR . 38.6 tp -64.83 -37.06 86.35 Favored 'General case' 0 CA--C 1.555 1.151 0 C-N-CA 122.977 0.511 . . . . 74.03 110.039 177.828 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 128' ' ' THR . . . . . . . . . . . . . 28.3 m -71.91 -39.48 69.5 Favored 'General case' 0 CA--C 1.561 1.379 0 C-N-CA 124.214 1.006 . . . . 73.4 110.529 175.091 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -62.93 -45.85 90.54 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.595 1.158 . . . . 54.41 110.649 178.091 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 130' ' ' LEU . . . . . 0.438 HD13 ' HA ' ' B' ' 130' ' ' LEU . 1.7 mm? -68.24 -44.52 75.5 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.063 -0.972 . . . . 70.3 110.751 -175.695 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 131' ' ' LYS . . . . . 0.475 ' HA ' HD12 ' B' ' 134' ' ' LEU . 0.0 OUTLIER -65.46 -29.86 70.58 Favored 'General case' 0 C--N 1.357 0.933 0 O-C-N 123.784 0.677 . . . . 74.21 110.628 -179.6 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 5.4 tt -64.3 -53.63 45.85 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.795 0.838 . . . . 71.12 110.715 174.177 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 133' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -57.91 -37.24 73.67 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 115.579 -0.737 . . . . 71.55 109.827 177.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 134' ' ' LEU . . . . . 0.475 HD12 ' HA ' ' B' ' 131' ' ' LYS . 19.6 mt -65.18 -50.76 64.68 Favored 'General case' 0 C--O 1.217 -0.624 0 CA-C-N 114.509 -1.223 . . . . 75.31 111.951 -178.088 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 135' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -66.97 -25.62 66.42 Favored 'General case' 0 N--CA 1.484 1.226 0 O-C-N 123.452 0.47 . . . . 74.53 111.134 -175.628 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -78.6 -36.34 44.42 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 123.628 0.58 . . . . 73.43 111.359 171.692 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -68.06 -35.21 77.85 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.262 0.625 . . . . 72.01 110.608 176.727 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 138' ' ' THR . . . . . . . . . . . . . 53.1 p -89.02 143.75 26.63 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-N 115.423 -0.808 . . . . 73.43 110.598 -177.796 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 3.8 pp0? -78.05 -18.58 55.63 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 114.934 -1.03 . . . . 74.42 108.995 170.768 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 140' ' ' ARG . . . . . . . . . . . . . 24.5 tpt180 -85.87 140.64 30.23 Favored 'General case' 0 CA--C 1.56 1.341 0 CA-C-N 115.168 -0.923 . . . . 74.34 110.86 -179.484 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 141' ' ' GLN . . . . . 0.492 ' HG2' ' N ' ' B' ' 142' ' ' GLU . 0.5 OUTLIER 75.05 -59.47 0.54 Allowed 'General case' 0 N--CA 1.491 1.582 0 C-N-CA 127.059 2.143 . . . . 73.15 112.495 176.412 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 142' ' ' GLU . . . . . 0.492 ' N ' ' HG2' ' B' ' 141' ' ' GLN . 37.8 tt0 46.44 85.22 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.711 0 C-N-CA 125.185 1.394 . . . . 51.11 112.664 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 15.1 mmm180 -81.52 -36.28 29.37 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 123.25 0.62 . . . . 74.32 111.848 -173.671 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 144' ' ' PHE . . . . . . . . . . . . . 78.1 t80 . . . . . 0 C--O 1.252 1.224 0 CA-C-N 115.614 -0.721 . . . . 64.5 109.247 169.854 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.407 ' O ' ' HG3' ' A' ' 4' ' ' LYS . 3.3 p-10 . . . . . 0 N--CA 1.487 1.415 0 CA-C-O 120.82 0.343 . . . . 71.41 111.124 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.481 ' HD1' HD22 ' A' ' 5' ' ' LEU . 41.4 m-85 -54.89 -13.82 1.22 Allowed 'General case' 0 CA--C 1.561 1.369 0 N-CA-C 115.64 1.718 . . . . 75.54 115.64 -179.481 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.39 -39.3 85.58 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-N 118.794 0.724 . . . . 75.3 109.998 174.518 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.407 ' HG3' ' O ' ' A' ' 1' ' ' ASP . 0.0 OUTLIER -74.22 -27.8 60.96 Favored 'General case' 0 C--N 1.358 0.977 0 CA-C-O 119.103 -0.475 . . . . 74.32 110.09 177.83 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.481 HD22 ' HD1' ' A' ' 2' ' ' PHE . 25.3 tp -53.87 -46.2 71.24 Favored 'General case' 0 N--CA 1.487 1.382 0 CA-C-O 121.227 0.537 . . . . 72.22 110.093 177.587 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 21.9 t80 -54.63 -55.06 33.54 Favored 'General case' 0 C--N 1.35 0.592 0 CA-C-N 113.845 -1.525 . . . . 54.44 109.475 173.419 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -57.5 -31.32 65.9 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.754 1.222 . . . . 42.11 113.335 -177.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -66.49 -64.9 0.76 Allowed 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 122.963 0.505 . . . . 74.53 111.579 -178.472 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.493 HD11 ' CD2' ' B' ' 106' ' ' TYR . 17.8 mt -62.47 -40.17 87.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 CA-C-O 119.598 -0.239 . . . . 73.5 110.667 178.746 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.04 -28.32 68.77 Favored 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 123.728 0.811 . . . . 74.51 110.698 -177.247 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.47 -49.35 77.16 Favored 'General case' 0 N--CA 1.482 1.136 0 N-CA-C 109.584 -0.524 . . . . 74.42 109.584 173.693 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.478 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 3.1 tp10 -68.48 -37.65 80.33 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 114.932 -1.031 . . . . 74.52 111.015 177.868 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -71.73 -37.16 70.63 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 124.559 1.144 . . . . 70.3 110.333 -173.062 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.486 ' HA ' ' HE2' ' A' ' 17' ' ' LYS . 2.6 tt0 -64.87 -47.18 78.82 Favored 'General case' 0 C--O 1.243 0.718 0 C-N-CA 124.482 1.113 . . . . 73.1 109.982 174.28 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.7 ttpt -54.07 -42.52 69.38 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 124.185 0.928 . . . . 71.53 110.043 172.395 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' ' 12' ' ' GLU . 89.4 mt -65.37 -33.2 75.4 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.731 0.812 . . . . 73.21 111.333 -177.531 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.486 ' HE2' ' HA ' ' A' ' 14' ' ' GLU . 56.8 mtmt -69.54 -34.94 74.94 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 122.804 0.442 . . . . 71.15 110.693 174.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.401 ' O ' ' HB3' ' A' ' 21' ' ' HIS . . . -71.62 -55.0 8.58 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 115.896 -0.593 . . . . 62.14 110.417 -178.096 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -66.27 -32.78 74.39 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.608 0.763 . . . . 75.02 112.626 -176.872 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.59 -43.53 80.3 Favored 'General case' 0 C--N 1.357 0.919 0 N-CA-C 108.535 -0.913 . . . . 73.51 108.535 175.332 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.558 ' O ' ' HG3' ' A' ' 25' ' ' MET . 63.5 t60 -51.92 -55.91 17.39 Favored 'General case' 0 C--N 1.359 1.02 0 O-C-N 124.179 0.924 . . . . 72.31 109.627 178.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -60.28 -47.02 87.77 Favored 'General case' 0 N--CA 1.478 0.937 0 O-C-N 124.092 0.87 . . . . 75.35 112.241 -179.605 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.577 HG22 HG22 ' B' ' 123' ' ' THR . 20.4 m -67.45 -27.73 67.28 Favored 'General case' 0 N--CA 1.479 0.979 0 O-C-N 123.511 0.507 . . . . 62.23 111.231 -177.725 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -74.14 -45.7 47.14 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.459 0.703 . . . . 62.31 109.967 177.729 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.558 ' HG3' ' O ' ' A' ' 21' ' ' HIS . 46.0 mtm -54.89 -58.62 6.86 Favored 'General case' 0 C--N 1.363 1.168 0 C-N-CA 123.293 0.637 . . . . 75.32 110.683 173.825 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.456 ' HG2' ' HA ' ' A' ' 23' ' ' THR . 11.3 pt-20 -70.86 -18.64 62.69 Favored 'General case' 0 C--O 1.202 -1.443 0 CA-C-N 115.402 -0.817 . . . . 74.33 111.568 -173.112 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.493 HD11 ' HB2' ' B' ' 126' ' ' GLU . 7.1 tt -67.43 -52.34 40.73 Favored 'General case' 0 C--N 1.356 0.877 0 CA-C-N 118.773 0.715 . . . . 75.14 109.117 168.646 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 29.0 m -62.0 -41.16 97.76 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 123.3 0.64 . . . . 71.55 110.514 -177.149 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.506 ' O ' ' HG2' ' A' ' 33' ' ' GLN . 3.4 m-20 -61.64 -52.88 62.54 Favored 'General case' 0 C--N 1.349 0.547 0 C-N-CA 124.049 0.94 . . . . 72.34 110.511 172.867 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.467 HD21 ' HG3' ' A' ' 41' ' ' GLN . 0.9 OUTLIER -56.29 -45.04 80.36 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 124.075 0.95 . . . . 73.32 111.862 -175.37 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.441 ' HE2' ' HB2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -70.97 -37.46 72.76 Favored 'General case' 0 C--O 1.242 0.667 0 O-C-N 123.874 0.734 . . . . 73.4 110.383 -177.932 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.7 tp -61.74 -58.69 7.04 Favored 'General case' 0 C--N 1.352 0.679 0 CA-C-N 115.387 -0.824 . . . . 74.25 109.738 -178.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.506 ' HG2' ' O ' ' A' ' 29' ' ' ASP . 2.8 pt20 -65.66 -33.54 76.14 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 123.464 0.706 . . . . 71.14 111.044 -178.869 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.498 HD23 HD22 ' B' ' 134' ' ' LEU . 1.6 tm? -52.17 -61.48 2.24 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.494 0.717 . . . . 65.11 109.416 -179.053 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -70.22 -23.78 62.99 Favored 'General case' 0 CA--C 1.548 0.883 0 O-C-N 126.086 2.116 . . . . 63.11 111.95 -176.688 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -66.7 -13.74 61.66 Favored 'General case' 0 N--CA 1.492 1.667 0 C-N-CA 123.031 0.533 . . . . 72.53 110.576 167.415 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 82.15 60.6 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 126.585 1.954 . . . . 74.32 108.379 175.069 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 15.0 t -79.12 165.08 23.72 Favored 'General case' 0 N--CA 1.494 1.772 0 CA-C-N 114.151 -1.386 . . . . 74.22 111.821 -175.393 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -105.66 -28.74 10.54 Favored 'General case' 0 CA--C 1.55 0.964 0 CA-C-N 115.698 -0.683 . . . . 72.33 111.94 177.484 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 31.5 ttt180 -165.28 170.02 15.23 Favored 'General case' 0 N--CA 1.491 1.597 0 CA-C-N 118.402 0.546 . . . . 72.31 111.3 -176.542 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.467 ' HG3' HD21 ' A' ' 30' ' ' LEU . 3.3 pm0 -132.07 175.34 9.32 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.494 1.117 . . . . 70.11 110.161 171.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -123.69 100.91 7.01 Favored 'General case' 0 C--O 1.242 0.666 0 C-N-CA 124.265 1.026 . . . . 75.43 108.488 175.359 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.825 HH12 HD11 ' B' ' 127' ' ' LEU . 40.8 mmt180 -69.21 -62.73 1.26 Allowed 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 115.044 -0.98 . . . . 74.3 109.65 178.811 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 85.9 t80 . . . . . 0 N--CA 1.479 0.985 0 C-N-CA 123.62 0.768 . . . . 71.24 109.293 176.484 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 . . . . . 0 CA--C 1.535 0.371 0 N-CA-C 109.494 -0.558 . . . . 74.42 109.494 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 102' ' ' PHE . . . . . 0.479 ' O ' ' HG ' ' B' ' 105' ' ' LEU . 95.0 m-85 -93.71 -8.33 41.13 Favored 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 124.263 1.025 . . . . 75.13 111.045 177.168 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.38 -34.71 69.14 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-O 121.859 0.838 . . . . 65.45 110.219 177.182 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 104' ' ' LYS . . . . . 0.405 ' O ' ' HG2' ' B' ' 108' ' ' GLN . 0.1 OUTLIER -73.84 -31.64 63.3 Favored 'General case' 0 C--O 1.214 -0.792 0 CA-C-N 114.389 -1.278 . . . . 72.21 109.874 -178.061 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 105' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' B' ' 102' ' ' PHE . 0.5 OUTLIER -61.78 -41.04 97.21 Favored 'General case' 0 C--N 1.384 2.076 0 N-CA-C 108.287 -1.005 . . . . 64.0 108.287 176.748 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 106' ' ' TYR . . . . . 0.493 ' CD2' HD11 ' A' ' 9' ' ' ILE . 37.9 t80 -54.98 -49.36 71.64 Favored 'General case' 0 C--N 1.369 1.426 0 O-C-N 124.309 1.006 . . . . 72.52 109.651 176.017 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -64.52 -35.07 79.77 Favored 'General case' 0 CA--C 1.552 1.031 0 N-CA-C 113.157 0.799 . . . . 71.42 113.157 177.119 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 108' ' ' GLN . . . . . 0.405 ' HG2' ' O ' ' B' ' 104' ' ' LYS . 10.2 mm-40 -65.42 -57.67 7.75 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-N 118.691 0.678 . . . . 75.41 110.86 -178.246 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 15.2 mt -70.44 -37.27 69.86 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.703 0 CA-C-N 115.586 -0.733 . . . . 70.12 111.076 -174.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 110' ' ' LEU . . . . . 0.458 ' HA ' ' HB3' ' B' ' 113' ' ' ASN . 1.0 OUTLIER -71.25 -32.3 68.57 Favored 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 122.914 0.485 . . . . 74.24 110.707 179.568 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -65.04 -43.43 92.35 Favored 'General case' 0 N--CA 1.486 1.332 0 N-CA-C 109.805 -0.442 . . . . 71.13 109.805 174.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 112' ' ' GLU . . . . . 0.475 ' O ' ' HG ' ' B' ' 116' ' ' LEU . 52.9 tp10 -64.78 -40.4 95.2 Favored 'General case' 0 C--O 1.204 -1.324 0 CA-C-N 114.939 -1.028 . . . . 73.33 110.239 174.177 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 113' ' ' ASN . . . . . 0.458 ' HB3' ' HA ' ' B' ' 110' ' ' LEU . 23.5 t-20 -65.05 -39.84 93.87 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 125.012 1.325 . . . . 75.53 111.003 -177.525 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -67.89 -45.98 72.95 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.258 1.023 . . . . 64.53 110.013 176.632 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 28.7 ttpt -57.85 -44.86 86.83 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.638 -0.71 . . . . 72.51 110.025 175.372 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 116' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' B' ' 112' ' ' GLU . 76.1 mt -67.04 -29.0 68.68 Favored 'General case' 0 C--N 1.352 0.705 0 O-C-N 123.976 0.797 . . . . 73.43 110.127 -177.872 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.33 -44.17 79.76 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.931 0.892 . . . . 60.3 109.843 175.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -70.96 -45.93 63.25 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 115.097 -0.956 . . . . 72.23 111.288 -175.389 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.03 -41.05 78.22 Favored 'General case' 0 C--N 1.351 0.644 0 C-N-CA 123.456 0.702 . . . . 74.24 111.278 -176.811 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.83 -41.14 92.16 Favored 'General case' 0 C--N 1.362 1.122 0 N-CA-C 109.674 -0.491 . . . . 64.22 109.674 179.466 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 22.7 t-160 -59.71 -45.93 90.63 Favored 'General case' 0 C--N 1.357 0.907 0 O-C-N 124.011 0.82 . . . . 71.4 108.911 179.774 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 122' ' ' ASP . . . . . 0.543 ' O ' ' HG3' ' B' ' 126' ' ' GLU . 16.0 t70 -59.23 -47.64 84.58 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 124.407 1.067 . . . . 65.14 110.077 176.459 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 123' ' ' THR . . . . . 0.577 HG22 HG22 ' A' ' 23' ' ' THR . 26.8 m -61.58 -35.84 78.97 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 124.381 1.072 . . . . 72.54 111.329 -177.777 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 124' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -72.92 -34.2 66.44 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.266 0.626 . . . . 71.21 110.521 177.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 125' ' ' MET . . . . . . . . . . . . . 14.5 mmt -66.91 -41.72 86.61 Favored 'General case' 0 C--N 1.351 0.647 0 O-C-N 123.463 0.477 . . . . 51.34 110.639 176.533 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 126' ' ' GLU . . . . . 0.543 ' HG3' ' O ' ' B' ' 122' ' ' ASP . 19.6 mt-10 -62.72 -41.32 99.1 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 109.088 -0.708 . . . . 62.55 109.088 176.441 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 127' ' ' LEU . . . . . 0.825 HD11 HH12 ' A' ' 43' ' ' ARG . 29.3 tp -67.69 -27.25 66.67 Favored 'General case' 0 CA--C 1.561 1.389 0 CA-C-N 114.965 -1.016 . . . . 71.44 111.078 176.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 128' ' ' THR . . . . . . . . . . . . . 91.7 m -68.43 -39.38 81.58 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 123.612 0.765 . . . . 65.21 109.992 174.794 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -57.65 -50.71 72.28 Favored 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 109.435 -0.58 . . . . 61.13 109.435 170.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 130' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' B' ' 126' ' ' GLU . 80.4 mt -62.28 -37.51 85.77 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.365 0.666 . . . . 74.45 112.47 -173.186 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 131' ' ' LYS . . . . . 0.493 ' NZ ' ' HB3' ' B' ' 144' ' ' PHE . 0.0 OUTLIER -80.46 -25.0 39.14 Favored 'General case' 0 C--N 1.355 0.832 0 O-C-N 123.717 0.636 . . . . 70.41 111.401 -179.773 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 132' ' ' LEU . . . . . 0.431 ' O ' ' HG3' ' B' ' 136' ' ' LYS . 57.1 tp -68.62 -54.05 18.84 Favored 'General case' 0 N--CA 1.481 1.08 0 N-CA-C 109.085 -0.709 . . . . 62.3 109.085 173.165 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.84 -29.39 70.14 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.835 0.854 . . . . 72.23 111.24 175.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 134' ' ' LEU . . . . . 0.498 HD22 HD23 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -61.12 -56.78 16.88 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.757 0.823 . . . . 72.12 109.268 178.466 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 135' ' ' GLU . . . . . 0.476 ' HB2' ' HA ' ' B' ' 142' ' ' GLU . 10.6 pt-20 -68.05 -21.54 65.0 Favored 'General case' 0 CA--C 1.546 0.811 0 O-C-N 124.101 0.876 . . . . 71.24 112.074 -177.735 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 136' ' ' LYS . . . . . 0.431 ' HG3' ' O ' ' B' ' 132' ' ' LEU . 8.6 mtpm? -72.86 -35.22 67.16 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.127 0.571 . . . . 62.11 110.559 171.434 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -75.43 -42.38 53.62 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.441 0.696 . . . . 64.41 111.877 -177.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 138' ' ' THR . . . . . 0.442 HG22 ' O ' ' B' ' 134' ' ' LEU . 12.2 t -99.3 171.52 7.93 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 114.055 1.131 . . . . 70.35 114.055 -164.116 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -89.12 -17.4 29.3 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 125.419 1.488 . . . . 72.31 110.731 170.085 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 140' ' ' ARG . . . . . . . . . . . . . 21.2 tpp180 -64.62 171.74 3.12 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 124.736 1.214 . . . . 70.33 109.533 174.489 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -38.76 141.38 0.28 Allowed 'General case' 0 N--CA 1.496 1.827 0 C-N-CA 124.991 1.316 . . . . 74.44 114.315 -168.064 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 142' ' ' GLU . . . . . 0.476 ' HA ' ' HB2' ' B' ' 135' ' ' GLU . 14.3 pt-20 -129.3 91.55 3.2 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 107.32 -1.363 . . . . 71.51 107.32 175.03 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 48.5 ttt180 -113.43 -48.17 2.96 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 114.352 -1.294 . . . . 74.11 111.913 -161.543 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 144' ' ' PHE . . . . . 0.493 ' HB3' ' NZ ' ' B' ' 131' ' ' LYS . 61.7 t80 . . . . . 0 CA--C 1.554 1.123 0 CA-C-O 118.45 -0.786 . . . . 75.43 109.494 -169.251 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 . . . . . 0 N--CA 1.481 1.111 0 N-CA-C 112.366 0.506 . . . . 75.24 112.366 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -55.75 -54.46 44.06 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.855 0.862 . . . . 74.2 113.298 -174.191 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.69 -40.63 84.17 Favored 'General case' 0 N--CA 1.485 1.294 0 CA-C-O 121.426 0.632 . . . . 74.1 110.886 -174.495 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.4 ' O ' ' HG2' ' A' ' 8' ' ' GLN . 0.1 OUTLIER -83.8 -33.05 25.03 Favored 'General case' 0 C--O 1.21 -1.022 0 CA-C-N 115.256 -0.884 . . . . 73.34 110.478 -173.611 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.429 HD21 ' HD1' ' B' ' 106' ' ' TYR . 22.9 tp -66.54 -35.48 80.34 Favored 'General case' 0 N--CA 1.49 1.575 0 N-CA-C 109.091 -0.707 . . . . 71.13 109.091 179.411 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.527 ' HA ' HD11 ' B' ' 105' ' ' LEU . 25.8 t80 -55.88 -43.46 77.21 Favored 'General case' 0 C--O 1.215 -0.745 0 CA-C-N 114.248 -1.342 . . . . 73.21 109.301 172.692 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -69.85 -39.73 76.22 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 124.143 0.902 . . . . 72.33 112.863 175.224 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.4 ' HG2' ' O ' ' A' ' 4' ' ' LYS . 10.9 mm-40 -62.93 -61.5 2.35 Favored 'General case' 0 N--CA 1.491 1.614 0 CA-C-N 118.306 0.503 . . . . 70.54 111.262 -173.208 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.424 HD11 ' HD1' ' B' ' 106' ' ' TYR . 5.0 mt -58.36 -49.6 81.45 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.998 0 O-C-N 123.752 0.657 . . . . 73.33 111.235 177.588 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.582 ' HA ' ' HB3' ' A' ' 13' ' ' ASN . 14.4 tp -68.21 -23.41 64.82 Favored 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 113.062 0.764 . . . . 73.43 113.062 -175.285 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.18 -46.43 80.82 Favored 'General case' 0 N--CA 1.483 1.204 0 CA-C-O 121.252 0.549 . . . . 45.42 109.684 174.502 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.501 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 50.7 tp10 -66.43 -43.58 85.26 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 114.83 -1.077 . . . . 72.35 109.973 174.307 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.582 ' HB3' ' HA ' ' A' ' 10' ' ' LEU . 23.5 t-20 -61.31 -41.39 96.93 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 124.849 1.26 . . . . 73.23 111.859 -176.538 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -66.34 -48.14 71.2 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.208 1.003 . . . . 63.13 109.589 177.47 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 25.9 ttpt -55.37 -43.8 75.43 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 115.15 -0.932 . . . . 74.54 110.274 176.486 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 12' ' ' GLU . 82.7 mt -66.85 -32.24 73.38 Favored 'General case' 0 C--N 1.354 0.801 0 CA-C-N 115.111 -0.95 . . . . 62.12 110.821 -178.715 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.93 -37.71 86.74 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.57 0.748 . . . . 74.34 110.145 176.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.56 -55.11 7.42 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 115.001 -1.0 . . . . 65.35 110.819 -176.803 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -66.18 -33.96 76.94 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 115.525 -0.762 . . . . 72.01 112.215 -177.834 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.447 ' HB3' HE22 ' B' ' 119' ' ' GLN . 1.3 pp -66.31 -46.47 76.8 Favored 'General case' 0 N--CA 1.483 1.175 0 N-CA-C 109.482 -0.562 . . . . 73.41 109.482 176.568 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.415 ' O ' ' HG2' ' A' ' 25' ' ' MET . 27.5 t-80 -58.98 -41.48 87.67 Favored 'General case' 0 C--N 1.355 0.825 0 O-C-N 124.333 1.021 . . . . 72.15 108.994 -177.766 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -66.6 -42.12 87.4 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 114.671 -1.149 . . . . 61.02 111.544 -179.38 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.473 HG22 HG22 ' B' ' 123' ' ' THR . 6.9 m -71.28 -31.96 68.11 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 122.824 0.45 . . . . 70.11 110.567 179.777 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.416 ' OD1' HG21 ' B' ' 123' ' ' THR . 3.0 m120 -73.94 -39.49 63.73 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.153 0.581 . . . . 75.13 110.089 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.415 ' HG2' ' O ' ' A' ' 21' ' ' HIS . 26.5 mmt -62.23 -52.59 63.15 Favored 'General case' 0 C--N 1.35 0.607 0 C-N-CA 122.688 0.395 . . . . 72.45 110.779 177.386 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -70.46 -21.19 62.82 Favored 'General case' 0 C--O 1.214 -0.781 0 CA-C-O 119.256 -0.402 . . . . 73.24 111.658 -179.543 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.1 tt -64.23 -44.03 93.14 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 109.255 -0.646 . . . . 71.11 109.255 169.075 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 25.6 m -62.13 -47.02 86.42 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.259 0.624 . . . . 64.55 110.526 178.548 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.53 ' O ' ' HG2' ' A' ' 33' ' ' GLN . 16.6 m-20 -59.1 -52.85 63.97 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 115.4 -0.818 . . . . 75.31 110.106 176.558 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.479 HD11 ' NE2' ' A' ' 41' ' ' GLN . 1.7 mm? -58.62 -50.38 74.06 Favored 'General case' 0 C--N 1.355 0.823 0 O-C-N 124.096 0.873 . . . . 73.2 111.392 -175.035 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.417 ' HE2' ' HB2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -66.82 -33.93 76.69 Favored 'General case' 0 N--CA 1.48 1.067 0 O-C-N 123.585 0.553 . . . . 71.34 111.335 -175.456 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.4 tt -63.86 -58.47 6.71 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.743 0.817 . . . . 61.44 110.184 -179.538 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.53 ' HG2' ' O ' ' A' ' 29' ' ' ASP . 3.9 pt20 -66.21 -37.6 85.96 Favored 'General case' 0 C--O 1.251 1.169 0 CA-C-N 115.94 -0.573 . . . . 75.5 110.799 -178.238 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -51.65 -60.02 3.63 Favored 'General case' 0 C--N 1.351 0.648 0 C-N-CA 124.462 1.105 . . . . 75.53 109.689 -177.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -68.84 -24.89 64.42 Favored 'General case' 0 C--N 1.363 1.154 0 O-C-N 125.986 2.054 . . . . 71.45 112.33 -176.748 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 52.4 mtpt -68.27 -12.9 61.78 Favored 'General case' 0 N--CA 1.493 1.685 0 C-N-CA 122.336 0.255 . . . . 62.51 111.077 167.45 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 82.16 58.01 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 126.308 1.843 . . . . 74.12 108.486 174.802 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 3.7 t -84.76 179.5 7.33 Favored 'General case' 0 N--CA 1.496 1.846 0 CA-C-N 114.386 -1.279 . . . . 51.53 111.028 -176.168 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.664 ' HA ' HG21 ' B' ' 138' ' ' THR . 10.2 pt20 -112.43 -48.55 3.01 Favored 'General case' 0 C--O 1.239 0.539 0 C-N-CA 123.098 0.559 . . . . 74.03 112.009 178.176 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.619 ' HG3' ' HB3' ' B' ' 141' ' ' GLN . 63.5 ttt180 -143.31 144.49 32.12 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-O 121.202 0.525 . . . . 73.54 112.366 -171.024 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.479 ' NE2' HD11 ' A' ' 30' ' ' LEU . 2.1 pm0 -94.35 168.91 10.6 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.725 1.21 . . . . 65.11 109.356 168.84 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -108.61 -37.85 5.82 Favored 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 110.009 -0.367 . . . . 60.05 110.009 173.525 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 56.7 mtp180 59.87 -81.89 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 125.2 1.4 . . . . 63.53 111.418 -174.565 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 86.3 t80 . . . . . 0 N--CA 1.477 0.912 0 C-N-CA 124.193 0.997 . . . . 70.11 109.647 173.748 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 . . . . . 0 C--O 1.224 -0.245 0 CA-C-O 120.949 0.404 . . . . 74.12 110.283 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 102' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -74.23 -37.78 63.73 Favored 'General case' 0 C--O 1.243 0.757 0 C-N-CA 123.691 0.796 . . . . 70.01 111.695 -172.503 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 103' ' ' LYS . . . . . 0.434 ' H ' ' HD2' ' B' ' 103' ' ' LYS . 0.0 OUTLIER -66.49 -45.29 80.12 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-O 120.988 0.423 . . . . 73.21 109.95 179.327 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 104' ' ' LYS . . . . . 0.472 ' O ' ' HG2' ' B' ' 108' ' ' GLN . 0.0 OUTLIER -72.34 -33.99 67.71 Favored 'General case' 0 C--O 1.215 -0.724 0 CA-C-N 115.375 -0.83 . . . . 64.23 109.869 -176.587 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 105' ' ' LEU . . . . . 0.527 HD11 ' HA ' ' A' ' 6' ' ' TYR . 2.3 tp -53.54 -54.03 43.14 Favored 'General case' 0 C--O 1.252 1.231 0 C-N-CA 123.603 0.761 . . . . 72.41 109.653 175.761 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 106' ' ' TYR . . . . . 0.429 ' HD1' HD21 ' A' ' 5' ' ' LEU . 17.1 t80 -60.23 -40.21 89.37 Favored 'General case' 0 C--O 1.212 -0.871 0 O-C-N 124.335 1.022 . . . . 74.2 109.25 -177.843 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -63.76 -44.42 93.5 Favored 'General case' 0 C--O 1.219 -0.523 0 N-CA-C 112.321 0.489 . . . . 70.54 112.321 178.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 108' ' ' GLN . . . . . 0.472 ' HG2' ' O ' ' B' ' 104' ' ' LYS . 10.2 mm-40 -68.36 -66.2 0.6 Allowed 'General case' 0 N--CA 1.483 1.204 0 CA-C-N 117.957 0.344 . . . . 71.51 110.852 -173.63 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 16.8 mt -68.66 -37.79 78.07 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.157 0 CA-C-O 119.069 -0.491 . . . . 74.35 111.391 -172.674 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -71.48 -36.49 71.16 Favored 'General case' 0 N--CA 1.5 2.031 0 CA-C-N 118.481 0.582 . . . . 74.41 111.014 -178.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -61.62 -42.12 98.45 Favored 'General case' 0 N--CA 1.485 1.324 0 CA-C-N 118.241 0.473 . . . . 64.54 110.028 175.515 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 112' ' ' GLU . . . . . 0.526 ' O ' ' HG ' ' B' ' 116' ' ' LEU . 25.0 tp10 -67.47 -40.01 85.3 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 115.112 -0.949 . . . . 75.13 110.629 177.196 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -66.08 -36.53 83.44 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 124.691 1.196 . . . . 71.33 110.579 -176.638 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -65.41 -47.15 77.26 Favored 'General case' 0 C--O 1.24 0.578 0 CA-C-N 114.258 -1.337 . . . . 54.14 109.912 174.507 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 9.7 ttpt -57.78 -38.87 76.21 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 115.612 -0.722 . . . . 71.32 110.113 175.356 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 116' ' ' LEU . . . . . 0.526 ' HG ' ' O ' ' B' ' 112' ' ' GLU . 98.3 mt -67.87 -33.46 74.79 Favored 'General case' 0 C--N 1.359 1.001 0 C-N-CA 123.582 0.753 . . . . 74.33 111.326 179.655 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -64.45 -43.61 93.72 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 123.461 0.704 . . . . 65.41 110.669 176.773 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -75.57 -41.32 55.02 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 114.816 -1.084 . . . . 72.2 111.166 -174.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 119' ' ' GLN . . . . . 0.447 HE22 ' HB3' ' A' ' 20' ' ' LEU . 5.4 pp0? -69.98 -37.94 75.88 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 116.535 -0.302 . . . . 73.32 110.784 -178.683 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.13 -44.34 80.09 Favored 'General case' 0 C--N 1.363 1.175 0 N-CA-C 109.406 -0.59 . . . . 62.51 109.406 -178.64 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 121' ' ' HIS . . . . . 0.483 ' O ' ' HG3' ' B' ' 125' ' ' MET . 55.8 t60 -61.26 -44.24 97.56 Favored 'General case' 0 C--N 1.356 0.874 0 O-C-N 124.17 0.919 . . . . 73.23 109.256 -179.758 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 122' ' ' ASP . . . . . 0.454 ' O ' ' HG3' ' B' ' 126' ' ' GLU . 19.9 t70 -61.66 -44.35 97.14 Favored 'General case' 0 N--CA 1.477 0.921 0 O-C-N 124.466 1.104 . . . . 70.14 111.161 178.054 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 123' ' ' THR . . . . . 0.473 HG22 HG22 ' A' ' 23' ' ' THR . 70.4 m -64.3 -35.35 80.56 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.758 0.823 . . . . 60.21 110.528 179.313 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 124' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -67.09 -38.75 86.23 Favored 'General case' 0 C--O 1.22 -0.462 0 CA-C-N 115.428 -0.805 . . . . 65.43 109.7 176.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 125' ' ' MET . . . . . 0.483 ' HG3' ' O ' ' B' ' 121' ' ' HIS . 32.5 mtm -62.37 -37.78 87.05 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.04 0.536 . . . . 74.55 111.771 174.123 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 126' ' ' GLU . . . . . 0.454 ' HG3' ' O ' ' B' ' 122' ' ' ASP . 22.8 mt-10 -68.56 -40.59 80.53 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-O 121.143 0.497 . . . . 53.54 109.937 177.385 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 127' ' ' LEU . . . . . 0.417 HD22 HG23 ' A' ' 23' ' ' THR . 42.4 tp -65.79 -35.94 82.12 Favored 'General case' 0 CA--C 1.551 0.982 0 CA-C-N 115.52 -0.763 . . . . 72.13 110.65 177.083 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 128' ' ' THR . . . . . 0.4 ' HA ' ' HB3' ' B' ' 131' ' ' LYS . 15.0 m -76.4 -24.36 54.07 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.562 0.745 . . . . 33.44 110.225 177.614 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 129' ' ' ASP . . . . . 0.44 ' O ' ' HG3' ' B' ' 133' ' ' GLN . 16.0 t70 -68.25 -48.55 64.77 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.648 0.779 . . . . 74.14 109.995 174.057 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 130' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' B' ' 126' ' ' GLU . 63.4 mt -64.54 -36.67 84.97 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.833 0.853 . . . . 74.15 110.761 178.29 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 131' ' ' LYS . . . . . 0.4 ' HB3' ' HA ' ' B' ' 128' ' ' THR . 24.0 tptp -58.47 -47.66 83.32 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.311 1.444 . . . . 75.11 110.582 172.203 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 50.1 tp -68.25 -38.71 82.08 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.313 0.645 . . . . 75.33 110.915 -179.449 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 133' ' ' GLN . . . . . 0.44 ' HG3' ' O ' ' B' ' 129' ' ' ASP . 57.0 mt-30 -71.05 -27.79 63.9 Favored 'General case' 0 C--O 1.218 -0.577 0 CA-C-N 116.312 -0.404 . . . . 74.21 110.807 179.532 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 11.5 tp -80.78 -34.43 34.16 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.151 0.58 . . . . 65.24 111.209 -175.433 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 135' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -74.29 -27.92 60.95 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 116.262 -0.426 . . . . 70.32 110.001 174.179 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 58.3 mtpt -83.94 -24.47 30.68 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.05 0.54 . . . . 53.21 111.619 173.338 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -69.5 -37.16 77.09 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 109.292 -0.632 . . . . 73.04 109.292 175.336 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 138' ' ' THR . . . . . 0.664 HG21 ' HA ' ' A' ' 39' ' ' GLN . 1.3 t -158.14 -75.84 0.08 Allowed 'General case' 0 CA--C 1.551 0.993 0 CA-C-N 115.075 -0.966 . . . . 72.42 110.647 -178.857 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 139' ' ' GLN . . . . . 0.527 ' H ' HG23 ' B' ' 138' ' ' THR . 0.0 OUTLIER -162.38 -41.26 0.04 OUTLIER 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 122.891 0.476 . . . . 73.53 111.908 -172.823 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 140' ' ' ARG . . . . . 0.413 ' HD3' ' O ' ' B' ' 141' ' ' GLN . 4.6 tmt_? 66.44 155.87 0.1 Allowed 'General case' 0 CA--C 1.567 1.63 0 C-N-CA 124.553 1.141 . . . . 73.42 111.378 -176.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 141' ' ' GLN . . . . . 0.619 ' HB3' ' HG3' ' A' ' 40' ' ' ARG . 11.9 pt20 -58.43 152.11 18.57 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.314 0.645 . . . . 62.14 111.156 -178.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -109.23 25.61 11.6 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 109.164 -0.68 . . . . 71.11 109.164 -179.506 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 143' ' ' ARG . . . . . 0.522 ' HD2' ' NE2' ' B' ' 141' ' ' GLN . 31.3 ttm180 -63.57 -52.92 58.92 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.922 1.289 . . . . 74.24 110.975 174.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 144' ' ' PHE . . . . . . . . . . . . . 56.5 t80 . . . . . 0 C--O 1.252 1.236 0 N-CA-C 107.831 -1.174 . . . . 73.44 107.831 174.024 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.556 ' O ' ' HG3' ' A' ' 4' ' ' LYS . 5.0 m-20 . . . . . 0 N--CA 1.476 0.848 0 CA-C-O 121.192 0.52 . . . . 64.13 110.344 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -66.99 -21.63 65.95 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 114.699 1.37 . . . . 75.45 114.699 -167.723 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.471 ' HD2' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -65.4 -41.15 93.93 Favored 'General case' 0 N--CA 1.482 1.149 0 CA-C-N 118.116 0.417 . . . . 72.53 110.022 176.965 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.556 ' HG3' ' O ' ' A' ' 1' ' ' ASP . 0.0 OUTLIER -78.37 -30.56 48.02 Favored 'General case' 0 C--O 1.21 -1.008 0 N-CA-C 109.073 -0.714 . . . . 71.31 109.073 179.391 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 43.3 tp -53.22 -45.27 68.61 Favored 'General case' 0 N--CA 1.493 1.721 0 C-N-CA 123.139 0.576 . . . . 73.42 110.208 175.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.451 ' HA ' HD13 ' B' ' 105' ' ' LEU . 20.0 t80 -54.53 -52.13 63.0 Favored 'General case' 0 C--N 1.349 0.574 0 O-C-N 124.835 1.334 . . . . 61.34 109.797 175.016 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -62.49 -34.19 76.36 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 124.567 1.167 . . . . 64.31 113.393 -177.763 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.44 ' HG2' ' O ' ' A' ' 4' ' ' LYS . 12.9 mm-40 -67.24 -56.9 7.91 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 122.804 0.442 . . . . 70.41 110.657 -176.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.423 ' H ' HG13 ' A' ' 9' ' ' ILE . 2.3 mt -60.41 -46.16 95.59 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.905 0 O-C-N 123.85 0.719 . . . . 73.23 110.769 177.198 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.04 -31.78 72.53 Favored 'General case' 0 N--CA 1.493 1.69 0 C-N-CA 124.497 1.119 . . . . 45.41 111.495 -173.801 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.11 -39.19 72.23 Favored 'General case' 0 N--CA 1.483 1.19 0 N-CA-C 109.756 -0.461 . . . . 71.25 109.756 176.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.442 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 30.6 tp10 -72.52 -29.63 63.77 Favored 'General case' 0 CA--C 1.547 0.865 0 CA-C-N 115.697 -0.683 . . . . 53.24 110.573 175.016 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -74.49 -40.56 61.74 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 124.475 1.11 . . . . 73.13 109.622 -178.08 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -62.23 -46.44 88.86 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.818 1.247 . . . . 54.43 109.458 171.642 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.3 ttpt -56.51 -46.03 80.75 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 124.284 0.99 . . . . 72.53 110.205 178.585 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.485 ' HB3' ' HB3' ' B' ' 116' ' ' LEU . 89.2 mt -66.96 -30.88 71.13 Favored 'General case' 0 N--CA 1.48 1.056 0 O-C-N 124.127 0.892 . . . . 72.01 111.596 -179.08 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.587 ' HA ' HD23 ' A' ' 20' ' ' LEU . 0.3 OUTLIER -69.96 -35.09 74.2 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 123.428 0.691 . . . . 74.41 109.618 174.398 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.64 -53.95 9.27 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.39 0.676 . . . . 73.5 110.313 -175.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -67.32 -27.84 67.49 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 123.701 0.801 . . . . 75.32 112.15 -178.43 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.587 HD23 ' HA ' ' A' ' 17' ' ' LYS . 0.4 OUTLIER -65.58 -44.71 85.82 Favored 'General case' 0 N--CA 1.481 1.107 0 N-CA-C 108.754 -0.832 . . . . 65.11 108.754 171.615 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -59.07 -38.41 79.37 Favored 'General case' 0 C--N 1.358 0.959 0 O-C-N 123.638 0.586 . . . . 71.52 110.446 -179.122 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -62.71 -54.82 33.52 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 123.764 0.665 . . . . 71.32 110.54 174.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.446 ' HA ' ' HG2' ' A' ' 26' ' ' GLU . 7.2 m -67.05 -28.52 68.28 Favored 'General case' 0 N--CA 1.482 1.131 0 O-C-N 123.643 0.59 . . . . 75.32 112.064 -175.096 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -75.18 -48.9 21.33 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.566 0.746 . . . . 54.22 110.212 -178.411 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 9.8 mmt -62.9 -44.56 95.76 Favored 'General case' 0 C--N 1.351 0.648 0 CA-C-N 115.757 -0.656 . . . . 74.21 111.123 178.308 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.446 ' HG2' ' HA ' ' A' ' 23' ' ' THR . 11.8 pt-20 -75.8 -28.03 58.19 Favored 'General case' 0 C--O 1.205 -1.242 0 CA-C-O 118.605 -0.712 . . . . 74.14 110.814 -176.727 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 63.4 tp -61.06 -48.65 80.77 Favored 'General case' 0 C--N 1.359 1.0 0 CA-C-N 118.461 0.573 . . . . 64.22 110.181 170.371 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 24.1 m -64.17 -38.9 92.7 Favored 'General case' 0 CA--C 1.546 0.819 0 O-C-N 123.818 0.699 . . . . 75.11 110.499 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.42 ' O ' ' HG2' ' A' ' 33' ' ' GLN . 16.7 t70 -65.65 -45.74 81.86 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.581 1.152 . . . . 65.31 110.498 177.236 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.496 ' HG ' HD12 ' B' ' 130' ' ' LEU . 15.0 tp -71.21 -36.01 71.74 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.35 1.06 . . . . 64.4 109.984 -173.283 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.49 -28.94 37.39 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.599 0.76 . . . . 72.4 109.965 -177.862 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.2 tt -65.97 -52.71 47.2 Favored 'General case' 0 C--N 1.345 0.386 0 C-N-CA 123.622 0.769 . . . . 62.11 109.017 178.121 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.42 ' HG2' ' O ' ' A' ' 29' ' ' ASP . 2.8 pt20 -69.34 -32.62 71.83 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-N 115.969 -0.559 . . . . 73.13 110.683 178.42 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 19.7 tp -45.76 -63.39 0.98 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 123.981 0.801 . . . . 72.41 110.356 176.076 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -71.61 -28.64 63.93 Favored 'General case' 0 C--N 1.358 0.965 0 O-C-N 126.569 2.418 . . . . 74.34 111.899 -173.778 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 30.4 mtpp -64.47 -12.8 47.47 Favored 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 122.87 0.468 . . . . 72.22 111.051 167.455 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 82.24 62.09 0.02 OUTLIER 'General case' 0 C--N 1.356 0.869 0 C-N-CA 126.047 1.739 . . . . 72.04 108.837 173.797 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.422 HG21 HD11 ' B' ' 134' ' ' LEU . 13.2 t -68.05 -179.78 1.31 Allowed 'General case' 0 N--CA 1.484 1.247 0 CA-C-N 113.649 -1.614 . . . . 54.52 112.921 -173.006 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.478 ' HA ' ' OG1' ' B' ' 138' ' ' THR . 9.9 pt20 -119.37 -57.58 1.98 Allowed 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.097 0.959 . . . . 53.34 109.717 174.119 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.448 ' H ' ' HG3' ' A' ' 39' ' ' GLN . 32.4 ptt180 -121.68 -167.42 1.52 Allowed 'General case' 0 N--CA 1.476 0.829 0 CA-C-O 121.945 0.878 . . . . 75.31 110.762 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -136.85 159.41 41.95 Favored 'General case' 0 C--O 1.243 0.736 0 N-CA-C 106.733 -1.58 . . . . 71.55 106.733 159.845 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -133.33 33.79 3.56 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 108.492 -0.929 . . . . 74.12 108.492 -176.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 5.0 ttt85 -41.51 -51.97 3.76 Favored 'General case' 0 C--N 1.358 0.948 0 C-N-CA 126.71 2.004 . . . . 73.11 111.995 171.08 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 31.5 t80 . . . . . 0 N--CA 1.472 0.648 0 N-CA-C 109.092 -0.707 . . . . 72.24 109.092 174.658 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 . . . . . 0 N--CA 1.469 0.523 0 CA-C-O 120.909 0.385 . . . . 71.14 110.777 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 102' ' ' PHE . . . . . 0.505 ' O ' ' HG ' ' B' ' 105' ' ' LEU . 94.8 m-85 -90.81 -12.91 34.97 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.495 0.718 . . . . 65.43 112.239 -174.817 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 103' ' ' LYS . . . . . 0.443 ' H ' ' HD2' ' B' ' 103' ' ' LYS . 0.0 OUTLIER -59.84 -32.28 70.53 Favored 'General case' 0 N--CA 1.479 1.025 0 CA-C-O 121.45 0.643 . . . . 54.21 109.939 178.284 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 104' ' ' LYS . . . . . 0.452 ' O ' ' HG2' ' B' ' 108' ' ' GLN . 0.0 OUTLIER -76.98 -27.73 54.85 Favored 'General case' 0 C--O 1.209 -1.029 0 CA-C-N 114.949 -1.023 . . . . 74.42 109.652 -179.462 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 105' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' B' ' 102' ' ' PHE . 0.6 OUTLIER -61.29 -39.55 90.85 Favored 'General case' 0 C--N 1.378 1.838 0 N-CA-C 107.77 -1.196 . . . . 40.21 107.77 175.036 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 106' ' ' TYR . . . . . 0.446 ' O ' ' HB2' ' B' ' 110' ' ' LEU . 32.9 t80 -55.93 -52.6 63.57 Favored 'General case' 0 C--N 1.368 1.41 0 O-C-N 124.662 1.226 . . . . 74.34 108.887 174.208 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -59.53 -39.11 82.87 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.011 0.924 . . . . 75.54 113.038 -178.374 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 108' ' ' GLN . . . . . 0.452 ' HG2' ' O ' ' B' ' 104' ' ' LYS . 8.7 mm-40 -66.84 -61.59 1.88 Allowed 'General case' 0 N--CA 1.483 1.215 0 CA-C-O 120.815 0.341 . . . . 75.03 110.566 -176.025 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 11.7 mt -68.77 -34.49 65.0 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.901 0 CA-C-N 115.293 -0.867 . . . . 64.21 110.903 -173.532 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 110' ' ' LEU . . . . . 0.446 ' HB2' ' O ' ' B' ' 106' ' ' TYR . 0.6 OUTLIER -69.4 -36.57 76.87 Favored 'General case' 0 N--CA 1.492 1.638 0 C-N-CA 123.849 0.86 . . . . 74.55 110.377 179.443 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.72 -41.81 95.69 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 122.736 0.414 . . . . 71.22 110.429 174.625 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -67.9 -36.51 80.34 Favored 'General case' 0 CA--C 1.559 1.292 0 CA-C-N 115.559 -0.746 . . . . 65.42 110.274 175.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -70.94 -35.9 72.4 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 125.045 1.338 . . . . 73.12 109.892 -177.743 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -61.66 -50.57 71.98 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.623 1.169 . . . . 74.52 109.271 173.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 15.7 ttpt -57.43 -46.08 83.95 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 124.597 1.186 . . . . 75.13 110.143 179.785 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 116' ' ' LEU . . . . . 0.485 ' HB3' ' HB3' ' A' ' 16' ' ' LEU . 93.5 mt -67.85 -29.11 68.16 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 115.594 -0.73 . . . . 65.15 111.694 -178.807 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 117' ' ' LYS . . . . . 0.548 ' HA ' HD23 ' B' ' 120' ' ' LEU . 0.2 OUTLIER -71.51 -38.81 71.08 Favored 'General case' 0 CA--C 1.555 1.136 0 N-CA-C 108.716 -0.846 . . . . 74.44 108.716 176.106 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -73.04 -44.59 60.56 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.256 1.022 . . . . 71.03 111.575 -175.055 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 119' ' ' GLN . . . . . 0.435 HE22 ' HB3' ' A' ' 20' ' ' LEU . 5.0 pp0? -72.06 -36.09 69.48 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 115.664 -0.698 . . . . 73.15 111.029 -177.261 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 120' ' ' LEU . . . . . 0.548 HD23 ' HA ' ' B' ' 117' ' ' LYS . 0.5 OUTLIER -64.27 -41.96 96.67 Favored 'General case' 0 C--N 1.362 1.15 0 N-CA-C 109.483 -0.562 . . . . 63.54 109.483 175.705 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 9.8 t-80 -52.73 -48.38 66.74 Favored 'General case' 0 C--N 1.36 1.024 0 O-C-N 124.178 0.924 . . . . 73.55 109.991 176.116 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 122' ' ' ASP . . . . . 0.472 ' O ' ' HG2' ' B' ' 126' ' ' GLU . 76.4 m-20 -63.41 -48.78 76.38 Favored 'General case' 0 CA--C 1.537 0.447 0 O-C-N 124.309 1.006 . . . . 71.41 111.42 -179.631 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 123' ' ' THR . . . . . 0.405 HG22 HG22 ' A' ' 23' ' ' THR . 10.2 m -67.54 -28.5 67.86 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.375 0.67 . . . . 74.2 111.528 -176.665 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 124' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -74.78 -36.02 62.54 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.089 0.556 . . . . 64.24 109.773 176.061 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 125' ' ' MET . . . . . . . . . . . . . 92.4 mmm -68.22 -32.88 73.39 Favored 'General case' 0 C--N 1.358 0.96 0 C-N-CA 123.131 0.573 . . . . 73.41 111.325 172.167 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 126' ' ' GLU . . . . . 0.472 ' HG2' ' O ' ' B' ' 122' ' ' ASP . 23.3 mm-40 -64.06 -40.91 97.3 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 109.568 -0.53 . . . . 74.01 109.568 173.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 9.2 tt -73.3 -30.87 63.69 Favored 'General case' 0 CA--C 1.553 1.061 0 O-C-N 124.247 0.967 . . . . 63.35 110.625 179.275 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 128' ' ' THR . . . . . . . . . . . . . 87.0 m -67.23 -48.28 68.26 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-O 121.635 0.731 . . . . 54.35 109.822 175.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 129' ' ' ASP . . . . . 0.435 ' O ' ' HG3' ' B' ' 133' ' ' GLN . 25.1 t70 -61.74 -36.13 80.11 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 114.532 -1.213 . . . . 75.14 109.94 175.296 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 130' ' ' LEU . . . . . 0.496 HD12 ' HG ' ' A' ' 30' ' ' LEU . 0.3 OUTLIER -65.95 -51.94 54.14 Favored 'General case' 0 C--N 1.342 0.272 0 CA-C-N 115.509 -0.769 . . . . 74.14 110.517 -176.96 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.61 -25.47 65.77 Favored 'General case' 0 CA--C 1.551 0.99 0 O-C-N 123.485 0.491 . . . . 60.31 110.689 -176.468 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 132' ' ' LEU . . . . . 0.61 ' HG ' ' HE2' ' B' ' 136' ' ' LYS . 57.1 tp -66.09 -52.74 45.98 Favored 'General case' 0 CA--C 1.559 1.31 0 CA-C-N 115.878 -0.601 . . . . 73.4 109.937 170.736 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 133' ' ' GLN . . . . . 0.435 ' HG3' ' O ' ' B' ' 129' ' ' ASP . 58.1 mt-30 -58.27 -32.83 68.76 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 123.304 0.642 . . . . 61.33 110.982 174.399 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 134' ' ' LEU . . . . . 0.422 HD11 HG21 ' A' ' 38' ' ' THR . 10.9 tp -65.59 -47.55 75.35 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.798 1.239 . . . . 65.32 109.812 -171.6 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 135' ' ' GLU . . . . . 0.49 ' HA ' HG22 ' B' ' 138' ' ' THR . 2.5 pp20? -74.2 -22.42 59.39 Favored 'General case' 0 C--N 1.351 0.631 0 O-C-N 124.124 0.89 . . . . 73.44 111.877 179.054 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 136' ' ' LYS . . . . . 0.61 ' HE2' ' HG ' ' B' ' 132' ' ' LEU . 46.3 mttm -72.79 -30.44 64.08 Favored 'General case' 0 N--CA 1.486 1.332 0 CA-C-O 120.675 0.274 . . . . 62.3 111.062 169.054 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -84.38 -21.62 30.79 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.531 0.732 . . . . 43.31 111.822 -179.524 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 138' ' ' THR . . . . . 0.49 HG22 ' HA ' ' B' ' 135' ' ' GLU . 14.3 t -118.9 170.01 9.38 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-O 121.59 0.71 . . . . 64.43 111.51 -179.407 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -102.76 -21.12 14.12 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 114.697 -1.138 . . . . 75.45 109.79 170.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 140' ' ' ARG . . . . . 0.449 ' HG2' ' H ' ' B' ' 141' ' ' GLN . 49.6 ttt-85 -75.08 174.33 9.54 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.724 0.81 . . . . 75.41 110.262 -178.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 141' ' ' GLN . . . . . 0.449 ' H ' ' HG2' ' B' ' 140' ' ' ARG 0.26 27.2 pt20 57.21 -67.64 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.814 0 C-N-CA 127.49 2.316 . . . . 70.22 114.745 170.605 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 67.29 82.72 0.18 Allowed 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.415 1.086 . . . . 72.43 109.672 179.091 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 19.3 mmm-85 -73.57 -41.53 62.8 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 114.505 -1.225 . . . . 73.25 111.468 -175.616 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 144' ' ' PHE . . . . . . . . . . . . . 35.4 t80 . . . . . 0 C--O 1.249 1.068 0 CA-C-N 115.598 -0.728 . . . . 75.33 109.549 175.365 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.468 ' HD3' ' H ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.964 0 N-CA-C 109.948 -0.389 . . . . 71.32 109.948 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.468 ' H ' ' HD3' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -72.8 -35.44 67.36 Favored 'General case' 0 C--O 1.209 -1.078 0 CA-C-O 118.464 -0.779 . . . . 63.14 109.825 175.205 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.407 HD21 ' HB2' ' B' ' 106' ' ' TYR . 15.1 tp -50.06 -49.19 52.06 Favored 'General case' 0 N--CA 1.492 1.637 0 C-N-CA 123.464 0.706 . . . . 72.21 110.355 -178.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 27.4 t80 -57.04 -55.7 31.3 Favored 'General case' 0 C--N 1.35 0.615 0 CA-C-N 113.771 -1.559 . . . . 74.23 110.694 174.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.5 mm-40 -63.75 -30.63 71.7 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 113.389 0.885 . . . . 63.41 113.389 -173.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.468 ' HG2' ' O ' ' A' ' 4' ' ' LYS . 7.3 mm-40 -69.02 -59.22 3.19 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 109.74 -0.467 . . . . 65.53 109.74 -176.295 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.528 HD11 ' CD1' ' B' ' 106' ' ' TYR . 9.9 mt -62.58 -41.8 93.48 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.078 0 C-N-CA 120.685 -0.406 . . . . 63.31 111.57 176.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.81 -33.85 76.52 Favored 'General case' 0 N--CA 1.492 1.657 0 C-N-CA 123.576 0.75 . . . . 63.4 111.382 -175.553 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.22 -37.32 80.72 Favored 'General case' 0 N--CA 1.481 1.121 0 N-CA-C 109.915 -0.402 . . . . 72.04 109.915 176.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -70.56 -36.57 73.71 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-N 115.972 -0.558 . . . . 74.03 109.711 175.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -65.2 -36.01 82.85 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 125.625 1.57 . . . . 74.23 109.66 178.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -65.03 -51.49 61.31 Favored 'General case' 0 C--N 1.353 0.722 0 C-N-CA 125.37 1.468 . . . . 71.11 110.243 174.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.7 ttpt -55.85 -47.56 77.06 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 124.141 0.9 . . . . 70.2 109.495 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.406 ' HB3' ' HB3' ' B' ' 116' ' ' LEU . 84.5 mt -61.42 -35.78 78.51 Favored 'General case' 0 C--N 1.352 0.715 0 O-C-N 124.846 1.341 . . . . 64.34 111.804 178.482 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.481 ' HA ' HD23 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -66.0 -39.98 90.76 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 123.11 0.564 . . . . 70.01 110.491 178.192 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.29 -57.98 3.96 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 115.45 -0.795 . . . . 54.3 110.204 -175.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.12 -33.34 73.22 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.772 0.829 . . . . 63.44 112.503 -177.185 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.481 HD23 ' HA ' ' A' ' 17' ' ' LYS . 0.8 OUTLIER -65.85 -44.55 85.13 Favored 'General case' 0 C--N 1.36 1.023 0 N-CA-C 108.958 -0.756 . . . . 64.43 108.958 177.244 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.473 ' O ' ' HG3' ' A' ' 25' ' ' MET . 31.9 t60 -59.25 -43.39 92.44 Favored 'General case' 0 C--N 1.361 1.086 0 O-C-N 124.169 0.918 . . . . 72.34 109.794 -178.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -62.65 -40.92 98.57 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 124.133 0.896 . . . . 73.43 111.264 176.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.556 HG21 ' ND2' ' B' ' 124' ' ' ASN . 30.3 m -70.02 -28.72 65.71 Favored 'General case' 0 C--N 1.356 0.87 0 O-C-N 123.622 0.576 . . . . 54.41 110.904 178.57 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.477 ' ND2' HG21 ' B' ' 123' ' ' THR . 0.9 OUTLIER -70.14 -52.59 22.36 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.277 0.631 . . . . 71.44 109.902 177.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.473 ' HG3' ' O ' ' A' ' 21' ' ' HIS . 37.4 mtp -62.96 -39.52 94.91 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.437 0.695 . . . . 73.44 112.452 179.357 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.506 ' HG2' ' HA ' ' A' ' 23' ' ' THR . 13.5 pt-20 -78.25 -24.32 46.94 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-O 119.424 -0.322 . . . . 74.5 110.37 -179.536 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.44 ' O ' ' HB3' ' A' ' 31' ' ' LYS . 41.8 tp -70.94 -40.85 71.82 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 109.451 -0.574 . . . . 63.13 109.451 171.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 71.2 m -67.31 -33.52 75.46 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 123.436 0.694 . . . . 61.14 110.151 177.268 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -62.57 -60.8 3.01 Favored 'General case' 0 C--N 1.357 0.93 0 N-CA-C 109.03 -0.73 . . . . 75.14 109.03 171.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.508 ' HA ' HE21 ' A' ' 33' ' ' GLN . 2.7 mm? -52.58 -44.0 65.63 Favored 'General case' 0 C--N 1.363 1.165 0 O-C-N 124.984 1.428 . . . . 74.41 111.421 -176.247 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.44 ' HB3' ' O ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -63.49 -51.37 65.88 Favored 'General case' 0 C--O 1.25 1.087 0 C-N-CA 125.185 1.394 . . . . 74.5 110.164 -178.512 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 66.8 tp -56.34 -64.46 0.86 Allowed 'General case' 0 C--N 1.351 0.642 0 O-C-N 124.717 1.26 . . . . 53.41 110.258 -176.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.508 HE21 ' HA ' ' A' ' 30' ' ' LEU . 1.3 pt20 -60.45 -39.35 87.22 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.799 0.84 . . . . 73.2 112.455 -177.774 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.529 HD23 HD22 ' B' ' 134' ' ' LEU . 1.3 tm? . . . . . 0 N--CA 1.485 1.289 0 CA-C-O 118.713 -0.66 . . . . 74.43 110.362 -175.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 102' ' ' PHE . . . . . 0.459 ' O ' ' HG ' ' B' ' 105' ' ' LEU . 91.6 m-85 . . . . . 0 N--CA 1.479 1.008 0 CA-C-O 121.037 0.446 . . . . 73.03 110.344 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 103' ' ' LYS . . . . . 0.502 ' HD3' ' N ' ' B' ' 104' ' ' LYS . 0.0 OUTLIER -57.73 -31.83 66.84 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 123.297 0.639 . . . . 74.32 110.011 178.075 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 104' ' ' LYS . . . . . 0.502 ' N ' ' HD3' ' B' ' 103' ' ' LYS . 0.0 OUTLIER -75.09 -36.88 61.68 Favored 'General case' 0 C--O 1.214 -0.815 0 CA-C-N 114.127 -1.397 . . . . 61.53 110.141 -177.891 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 105' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' B' ' 102' ' ' PHE . 0.7 OUTLIER -61.47 -40.98 96.49 Favored 'General case' 0 C--N 1.375 1.674 0 N-CA-C 108.266 -1.012 . . . . 74.42 108.266 -179.879 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 106' ' ' TYR . . . . . 0.528 ' CD1' HD11 ' A' ' 9' ' ' ILE . 40.6 t80 -56.46 -50.98 70.14 Favored 'General case' 0 C--N 1.37 1.461 0 CA-C-N 114.769 -1.105 . . . . 73.14 109.355 174.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -63.24 -40.06 96.38 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.119 0.968 . . . . 71.21 112.97 -177.273 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 108' ' ' GLN . . . . . 0.478 ' HG2' ' O ' ' B' ' 104' ' ' LYS . 11.2 mm-40 -68.53 -56.82 7.04 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 122.661 0.384 . . . . 72.12 110.545 -174.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 17.5 mt -67.17 -38.25 80.75 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.848 0 CA-C-N 115.647 -0.706 . . . . 72.5 110.86 -175.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -69.19 -38.09 78.47 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 123.488 0.715 . . . . 64.41 110.513 -179.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -61.42 -43.73 98.37 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 122.664 0.386 . . . . 71.35 110.318 175.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 112' ' ' GLU . . . . . 0.434 ' O ' ' HG ' ' B' ' 116' ' ' LEU . 42.7 tp10 -66.6 -40.09 88.69 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 114.9 -1.046 . . . . 71.51 110.746 175.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -65.55 -41.32 93.15 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 125.096 1.358 . . . . 73.14 110.711 -176.157 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -59.9 -50.27 74.45 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.456 1.102 . . . . 73.12 109.927 172.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 23.6 ttpt -58.14 -38.74 77.14 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 114.945 -1.025 . . . . 54.13 110.613 178.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 116' ' ' LEU . . . . . 0.45 ' HA ' ' HG3' ' B' ' 119' ' ' GLN . 89.6 mt -69.05 -31.07 69.58 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.539 0.736 . . . . 73.02 111.241 -178.461 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 117' ' ' LYS . . . . . 0.539 ' HA ' HD23 ' B' ' 120' ' ' LEU . 0.3 OUTLIER -68.28 -39.48 82.1 Favored 'General case' 0 CA--C 1.557 1.248 0 C-N-CA 123.736 0.814 . . . . 54.12 109.123 175.183 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -75.41 -44.12 46.33 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.593 0.757 . . . . 74.43 111.497 -176.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 119' ' ' GLN . . . . . 0.45 ' HG3' ' HA ' ' B' ' 116' ' ' LEU . 5.2 pp0? -70.63 -36.06 73.25 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.353 0.661 . . . . 64.34 110.564 -176.171 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 120' ' ' LEU . . . . . 0.539 HD23 ' HA ' ' B' ' 117' ' ' LYS . 0.7 OUTLIER -63.5 -45.88 88.63 Favored 'General case' 0 C--N 1.36 1.063 0 N-CA-C 108.238 -1.023 . . . . 75.41 108.238 176.289 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 121' ' ' HIS . . . . . 0.508 ' O ' ' HG2' ' B' ' 125' ' ' MET . 23.9 t-80 -59.9 -38.72 83.08 Favored 'General case' 0 C--N 1.362 1.11 0 O-C-N 124.248 0.967 . . . . 73.32 110.447 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 122' ' ' ASP . . . . . 0.446 ' O ' ' HG3' ' B' ' 126' ' ' GLU . 38.6 t70 -64.83 -45.53 85.77 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.043 0.937 . . . . 73.14 110.383 179.624 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 123' ' ' THR . . . . . 0.492 HG22 HG22 ' A' ' 23' ' ' THR . 18.4 m -69.18 -28.36 66.34 Favored 'General case' 0 CA--C 1.557 1.214 0 C-N-CA 124.237 1.015 . . . . 71.22 110.758 177.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 124' ' ' ASN . . . . . 0.556 ' ND2' HG21 ' A' ' 23' ' ' THR . 0.9 OUTLIER -72.04 -39.16 69.29 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.711 0.804 . . . . 75.44 110.506 175.678 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 125' ' ' MET . . . . . 0.508 ' HG2' ' O ' ' B' ' 121' ' ' HIS . 90.1 mmm -63.42 -38.67 92.03 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.104 0.562 . . . . 74.23 111.044 178.127 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 126' ' ' GLU . . . . . 0.446 ' HG3' ' O ' ' B' ' 122' ' ' ASP . 24.2 mt-10 -63.66 -46.95 83.28 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 109.314 -0.625 . . . . 74.41 109.314 173.769 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 127' ' ' LEU . . . . . 0.448 HD22 HG23 ' A' ' 23' ' ' THR . 44.4 tp -61.31 -31.28 71.13 Favored 'General case' 0 CA--C 1.557 1.219 0 C-N-CA 123.96 0.904 . . . . 71.01 111.576 179.122 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 128' ' ' THR . . . . . 0.529 ' HA ' ' HG3' ' B' ' 131' ' ' LYS . 62.5 m -78.85 -33.75 45.62 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 123.728 0.811 . . . . 73.35 110.221 179.111 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 129' ' ' ASP . . . . . 0.434 ' O ' ' HG3' ' B' ' 133' ' ' GLN . 19.3 t70 -63.52 -39.61 94.87 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.335 0.654 . . . . 72.44 109.267 171.27 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -73.54 -34.77 65.37 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.809 0.843 . . . . 75.45 112.648 -176.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 131' ' ' LYS . . . . . 0.529 ' HG3' ' HA ' ' B' ' 128' ' ' THR . 0.1 OUTLIER -74.34 -28.34 61.09 Favored 'General case' 0 N--CA 1.49 1.535 0 CA-C-N 118.432 0.56 . . . . 72.54 110.366 175.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 51.3 tp -68.77 -51.4 41.58 Favored 'General case' 0 C--N 1.352 0.691 0 O-C-N 123.837 0.711 . . . . 73.41 110.16 175.043 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 133' ' ' GLN . . . . . 0.434 ' HG3' ' O ' ' B' ' 129' ' ' ASP . 41.4 mt-30 -58.92 -32.13 69.28 Favored 'General case' 0 C--N 1.354 0.802 0 C-N-CA 122.933 0.493 . . . . 75.01 110.58 175.72 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 134' ' ' LEU . . . . . 0.529 HD22 HD23 ' A' ' 34' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.476 0.844 0 C-N-CA 124.238 1.015 . . . . 60.24 109.873 -178.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.596 ' HD3' ' H ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.545 0.754 0 CA-C-O 121.088 0.47 . . . . 64.54 110.247 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.596 ' H ' ' HD3' ' A' ' 3' ' ' LYS . 1.5 ptmt -81.81 -25.23 35.37 Favored 'General case' 0 C--O 1.213 -0.828 0 CA-C-N 115.31 -0.859 . . . . 70.21 110.802 -179.221 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 14.8 tp -56.33 -47.54 78.56 Favored 'General case' 0 C--O 1.258 1.54 0 CA-C-O 121.882 0.849 . . . . 53.41 109.161 175.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 22.4 t80 -54.24 -57.07 12.57 Favored 'General case' 0 C--N 1.351 0.661 0 CA-C-N 113.023 -1.899 . . . . 75.31 110.148 173.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' A' ' 3' ' ' LYS . 60.4 mm-40 -65.52 -32.06 73.46 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 113.948 1.092 . . . . 72.02 113.948 -170.76 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.41 ' HG2' ' O ' ' A' ' 4' ' ' LYS . 4.8 mm-40 -67.11 -52.11 45.91 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 122.668 0.387 . . . . 74.11 111.604 -178.705 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.495 HD11 ' CD1' ' B' ' 106' ' ' TYR . 17.7 mt -65.84 -40.54 87.89 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.925 0 C-N-CA 120.576 -0.45 . . . . 62.54 110.283 173.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.86 -25.68 67.31 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 123.769 0.828 . . . . 72.34 111.077 -177.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.69 -51.14 45.0 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.211 0.604 . . . . 71.01 109.811 175.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.461 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 34.4 tp10 -62.26 -34.4 76.48 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 115.393 -0.821 . . . . 75.0 110.077 174.571 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -66.62 -44.89 80.82 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 124.951 1.3 . . . . 53.14 110.787 -177.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -61.5 -49.08 78.18 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.785 0.834 . . . . 73.43 109.741 175.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 25.2 ttpt -55.85 -45.5 78.45 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 114.825 -1.08 . . . . 75.1 110.519 179.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 12' ' ' GLU . 87.4 mt -70.71 -29.38 65.64 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 115.359 -0.837 . . . . 42.3 111.074 -177.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.404 ' HA ' HD23 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -67.32 -37.14 82.83 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 123.713 0.633 . . . . 70.11 110.0 175.616 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.28 -52.99 9.54 Favored 'General case' 0 C--N 1.349 0.558 0 CA-C-N 114.981 -1.009 . . . . 65.43 110.987 -174.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.5 pp0? -67.19 -30.74 70.77 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-O 118.548 -0.739 . . . . 55.33 111.681 -178.15 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 17' ' ' LYS . 0.5 OUTLIER -68.38 -45.92 71.44 Favored 'General case' 0 N--CA 1.485 1.323 0 N-CA-C 109.214 -0.661 . . . . 73.44 109.214 174.792 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 65.1 t60 -56.06 -46.31 78.98 Favored 'General case' 0 N--CA 1.476 0.842 0 O-C-N 124.139 0.9 . . . . 64.35 109.492 178.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -64.48 -47.3 79.47 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 114.055 -1.43 . . . . 72.3 110.841 -179.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.61 HG22 HG22 ' B' ' 123' ' ' THR . 47.1 m -71.05 -26.5 63.11 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 122.713 0.405 . . . . 74.25 111.214 -177.76 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.553 ' ND2' HG21 ' B' ' 123' ' ' THR . 1.3 m-80 -72.69 -41.2 65.58 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 122.641 0.376 . . . . 65.41 110.098 176.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 12.3 mmt -68.86 -39.45 79.87 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 122.874 0.47 . . . . 64.12 111.364 -179.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.546 ' HG2' ' HA ' ' A' ' 23' ' ' THR . 16.5 pt-20 -79.61 -21.41 44.96 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-O 119.449 -0.31 . . . . 65.23 110.656 179.429 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.7 tt -65.51 -54.4 28.74 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.617 0.767 . . . . 64.11 109.023 169.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 18.4 m -58.59 -37.97 76.93 Favored 'General case' 0 C--O 1.248 1.014 0 C-N-CA 123.869 0.868 . . . . 71.25 110.483 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.481 ' O ' ' HG2' ' A' ' 33' ' ' GLN . 15.8 t70 -63.7 -54.1 40.85 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 114.847 -1.069 . . . . 62.34 109.846 175.396 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.513 HD22 HD12 ' B' ' 127' ' ' LEU . 1.6 mp -60.47 -35.91 77.01 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 123.984 0.802 . . . . 60.31 112.081 -172.272 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.445 ' HE2' ' HB2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -78.93 -33.55 45.32 Favored 'General case' 0 N--CA 1.479 1.014 0 O-C-N 123.499 0.5 . . . . 73.32 111.266 -179.682 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 56.6 tp -62.47 -57.13 12.32 Favored 'General case' 0 C--N 1.353 0.728 0 C-N-CA 123.014 0.526 . . . . 63.33 109.609 177.285 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.481 ' HG2' ' O ' ' A' ' 29' ' ' ASP . 8.1 pt20 -63.84 -34.04 77.04 Favored 'General case' 0 CA--C 1.551 1.005 0 CA-C-N 115.619 -0.718 . . . . 74.21 110.893 179.141 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.534 HD13 HD23 ' B' ' 134' ' ' LEU . 24.3 tp . . . . . 0 C--N 1.365 1.271 0 C-N-CA 124.226 1.011 . . . . 73.43 110.669 177.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 102' ' ' PHE . . . . . 0.544 ' HD2' HD23 ' B' ' 105' ' ' LEU . 94.0 m-85 . . . . . 0 C--O 1.247 0.94 0 N-CA-C 111.817 0.303 . . . . 64.15 111.817 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.13 -38.28 73.23 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-O 121.32 0.581 . . . . 73.43 109.948 175.649 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 104' ' ' LYS . . . . . 0.446 ' O ' ' HG2' ' B' ' 108' ' ' GLN . 0.0 OUTLIER -68.43 -41.44 80.34 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-N 114.831 -1.077 . . . . 75.4 110.463 -179.625 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 105' ' ' LEU . . . . . 0.544 HD23 ' HD2' ' B' ' 102' ' ' PHE . 0.5 OUTLIER -58.69 -44.03 90.14 Favored 'General case' 0 C--N 1.366 1.323 0 N-CA-C 108.991 -0.744 . . . . 60.51 108.991 -176.192 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 106' ' ' TYR . . . . . 0.495 ' CD1' HD11 ' A' ' 9' ' ' ILE . 37.0 t80 -57.62 -51.85 67.82 Favored 'General case' 0 C--N 1.361 1.071 0 O-C-N 124.614 1.196 . . . . 75.43 110.023 178.069 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -65.18 -38.08 89.37 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 113.186 0.81 . . . . 51.25 113.186 -176.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 108' ' ' GLN . . . . . 0.446 ' HG2' ' O ' ' B' ' 104' ' ' LYS . 9.1 mm-40 -66.98 -54.98 16.54 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 122.651 0.38 . . . . 54.52 110.758 -175.608 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 18.0 mt -65.69 -38.34 82.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 CA-C-N 116.446 -0.343 . . . . 72.52 110.443 -179.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.73 -31.46 70.54 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.208 0.603 . . . . 74.05 110.51 179.699 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.88 -46.84 80.09 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 122.678 0.391 . . . . 75.31 110.13 175.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 112' ' ' GLU . . . . . 0.49 ' O ' ' HG ' ' B' ' 116' ' ' LEU . 42.4 tp10 -62.52 -44.9 95.22 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.113 0.565 . . . . 72.52 109.852 174.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -66.0 -37.14 85.16 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 124.74 1.216 . . . . 75.23 110.895 -175.042 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -60.73 -48.9 79.71 Favored 'General case' 0 C--O 1.251 1.155 0 C-N-CA 125.019 1.328 . . . . 72.41 109.547 174.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 30.1 ttpt -58.25 -44.17 88.2 Favored 'General case' 0 C--N 1.347 0.457 0 CA-C-N 114.592 -1.185 . . . . 74.23 109.704 175.153 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 116' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' B' ' 112' ' ' GLU . 92.6 mt -61.97 -32.01 72.41 Favored 'General case' 0 C--N 1.355 0.826 0 O-C-N 124.039 0.837 . . . . 75.32 111.44 -175.158 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 117' ' ' LYS . . . . . 0.621 ' HA ' HD23 ' B' ' 120' ' ' LEU . 54.9 mtmt -75.56 -38.79 58.98 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 116.183 -0.462 . . . . 73.15 110.706 177.676 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -72.25 -40.48 67.66 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 122.907 0.483 . . . . 44.31 111.489 -178.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -75.87 -36.93 59.36 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.486 0.714 . . . . 72.3 110.341 -176.468 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 120' ' ' LEU . . . . . 0.621 HD23 ' HA ' ' B' ' 117' ' ' LYS . 0.4 OUTLIER -65.88 -43.23 88.91 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 109.055 -0.72 . . . . 74.25 109.055 176.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 51.0 t-80 -60.98 -40.19 92.49 Favored 'General case' 0 C--N 1.349 0.584 0 O-C-N 124.161 0.913 . . . . 73.35 109.797 -177.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 122' ' ' ASP . . . . . 0.467 ' O ' ' HG3' ' B' ' 126' ' ' GLU . 11.5 t70 -64.06 -48.56 75.78 Favored 'General case' 0 CA--C 1.551 0.982 0 O-C-N 124.324 1.015 . . . . 72.23 109.901 176.402 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 123' ' ' THR . . . . . 0.61 HG22 HG22 ' A' ' 23' ' ' THR . 55.4 m -63.31 -33.47 75.59 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 124.467 1.107 . . . . 70.31 111.417 -179.324 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 124' ' ' ASN . . . . . 0.572 ' ND2' HG21 ' A' ' 23' ' ' THR . 1.0 OUTLIER -78.4 -32.46 48.77 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.555 0.742 . . . . 75.11 109.748 -177.669 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 125' ' ' MET . . . . . . . . . . . . . 84.0 mmm -65.4 -38.0 88.66 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.22 0.608 . . . . 62.12 111.283 171.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 126' ' ' GLU . . . . . 0.467 ' HG3' ' O ' ' B' ' 122' ' ' ASP . 29.9 mt-10 -63.81 -47.52 80.5 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 109.347 -0.612 . . . . 73.04 109.347 174.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 127' ' ' LEU . . . . . 0.552 HD22 HG23 ' A' ' 23' ' ' THR . 44.4 tp -58.67 -43.78 90.01 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 124.337 1.055 . . . . 71.12 111.659 178.517 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 128' ' ' THR . . . . . . . . . . . . . 89.3 m -64.62 -38.88 92.51 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.698 0.799 . . . . 64.13 110.299 178.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 129' ' ' ASP . . . . . 0.459 ' O ' ' HG3' ' B' ' 133' ' ' GLN . 35.6 t70 -67.85 -36.77 80.91 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 114.828 -1.078 . . . . 52.11 110.375 177.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 130' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' B' ' 126' ' ' GLU . 80.7 mt -68.66 -47.57 66.2 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.559 0.744 . . . . 73.24 110.942 -177.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 131' ' ' LYS . . . . . 0.474 ' HA ' ' HG ' ' B' ' 134' ' ' LEU . 0.1 OUTLIER -61.28 -40.39 93.97 Favored 'General case' 0 N--CA 1.483 1.189 0 N-CA-C 108.419 -0.956 . . . . 71.33 108.419 178.689 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 1.3 tt -59.84 -38.98 83.59 Favored 'General case' 0 C--O 1.246 0.875 0 C-N-CA 125.291 1.436 . . . . 73.12 111.213 176.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 133' ' ' GLN . . . . . 0.459 ' HG3' ' O ' ' B' ' 129' ' ' ASP . 45.9 mt-30 -72.96 -26.39 61.35 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 115.887 -0.597 . . . . 73.1 111.179 176.722 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 134' ' ' LEU . . . . . 0.534 HD23 HD13 ' A' ' 34' ' ' LEU . 15.0 mt . . . . . 0 N--CA 1.5 2.058 0 N-CA-C 109.51 -0.552 . . . . 72.32 109.51 175.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.071 0 N-CA-C 109.5 -0.556 . . . . 73.51 109.5 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.436 ' O ' ' HG2' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -82.22 -25.78 33.87 Favored 'General case' 0 C--O 1.212 -0.875 0 CA-C-N 115.599 -0.728 . . . . 72.11 110.369 -179.331 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 16.5 tp -52.21 -46.26 65.57 Favored 'General case' 0 N--CA 1.493 1.697 0 CA-C-O 121.386 0.612 . . . . 64.53 110.573 174.026 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -56.95 -53.87 53.07 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-N 113.9 -1.5 . . . . 64.04 109.622 173.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -57.24 -31.78 65.88 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 124.703 1.201 . . . . 72.21 113.066 -178.282 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.436 ' HG2' ' O ' ' A' ' 4' ' ' LYS . 12.0 mm-40 -65.6 -69.99 0.26 Allowed 'General case' 0 N--CA 1.481 1.121 0 O-C-N 123.353 0.408 . . . . 74.32 111.153 -179.166 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.429 HD11 ' CE2' ' B' ' 106' ' ' TYR . 22.6 mt -59.81 -36.62 67.29 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 O-C-N 123.517 0.511 . . . . 71.22 110.863 -178.311 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.5 -31.79 72.17 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.485 0.714 . . . . 75.22 110.8 -179.184 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.99 -47.43 86.47 Favored 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 109.842 -0.429 . . . . 65.32 109.842 176.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.456 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 30.2 tp10 -74.5 -32.05 62.38 Favored 'General case' 0 C--O 1.215 -0.725 0 CA-C-N 115.593 -0.73 . . . . 65.34 110.795 178.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -66.49 -49.86 65.18 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.985 0.914 . . . . 64.1 110.357 -177.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -54.01 -48.07 70.84 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.758 1.223 . . . . 62.15 110.449 171.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.8 ttpt -60.84 -42.01 96.94 Favored 'General case' 0 C--N 1.348 0.536 0 O-C-N 124.238 0.961 . . . . 63.52 110.911 -179.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' A' ' 12' ' ' GLU . 79.2 mt -68.11 -29.15 68.0 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.446 0.699 . . . . 65.4 110.893 -178.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.438 ' HE3' ' HB3' ' A' ' 17' ' ' LYS . 0.7 OUTLIER -74.79 -31.65 61.79 Favored 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 123.523 0.729 . . . . 65.23 110.42 173.665 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.41 ' O ' ' HB3' ' A' ' 21' ' ' HIS . . . -74.63 -44.82 48.65 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.392 0.677 . . . . 72.35 110.701 -178.386 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -77.05 -28.6 54.84 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.572 0.749 . . . . 71.5 111.755 -178.51 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.423 ' HB3' HE22 ' B' ' 119' ' ' GLN . 1.0 OUTLIER -65.61 -40.73 92.97 Favored 'General case' 0 C--N 1.364 1.219 0 N-CA-C 108.291 -1.003 . . . . 72.13 108.291 172.295 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.41 ' HB3' ' O ' ' A' ' 18' ' ' ALA . 29.5 t60 -54.21 -49.37 69.57 Favored 'General case' 0 C--N 1.357 0.932 0 O-C-N 124.124 0.89 . . . . 73.31 109.945 176.245 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -53.3 -56.19 18.57 Favored 'General case' 0 N--CA 1.479 0.976 0 O-C-N 123.849 0.718 . . . . 71.42 111.182 177.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.633 HG22 HG22 ' B' ' 123' ' ' THR . 41.7 m -70.5 -27.61 64.33 Favored 'General case' 0 CA--C 1.548 0.869 0 O-C-N 124.012 0.82 . . . . 75.05 112.3 -173.552 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.551 ' ND2' HG21 ' B' ' 123' ' ' THR . 1.0 OUTLIER -70.3 -46.26 64.64 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 123.057 0.543 . . . . 71.04 109.771 177.834 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 32.8 mmt -66.17 -52.46 48.0 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 115.381 -0.827 . . . . 73.23 110.897 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.553 ' HG2' ' HA ' ' A' ' 23' ' ' THR . 13.3 pt-20 -69.35 -18.72 63.83 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 122.674 0.39 . . . . 73.3 111.443 -177.734 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.45 ' HB2' ' O ' ' A' ' 23' ' ' THR . 7.7 tt -67.13 -48.17 68.9 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 108.893 -0.78 . . . . 55.25 108.893 169.644 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 35.0 m -59.42 -40.76 87.73 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 123.91 0.884 . . . . 71.44 110.013 -179.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -58.04 -58.48 8.22 Favored 'General case' 0 C--N 1.348 0.523 0 CA-C-N 115.064 -0.971 . . . . 74.45 110.522 170.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.573 ' O ' ' HB2' ' A' ' 34' ' ' LEU . 2.2 mm? -61.34 -31.39 71.26 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.866 0.866 . . . . 74.3 112.7 -171.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.0 -34.01 26.42 Favored 'General case' 0 N--CA 1.483 1.175 0 CA-C-N 118.41 0.55 . . . . 72.43 110.181 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.7 tp -64.27 -52.56 58.01 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 123.358 0.663 . . . . 73.54 110.074 178.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.414 HE22 HD13 ' B' ' 134' ' ' LEU . 1.0 OUTLIER -69.63 -32.01 70.46 Favored 'General case' 0 C--O 1.252 1.199 0 CA-C-N 115.421 -0.809 . . . . 75.24 111.107 179.63 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.573 ' HB2' ' O ' ' A' ' 30' ' ' LEU . 2.9 tm? . . . . . 0 C--N 1.359 1.0 0 O-C-N 123.563 0.54 . . . . 53.21 109.707 177.273 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 102' ' ' PHE . . . . . 0.435 ' HD2' HD23 ' B' ' 105' ' ' LEU . 96.2 m-85 . . . . . 0 N--CA 1.478 0.956 0 CA-C-O 120.864 0.364 . . . . 63.52 110.949 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 103' ' ' LYS . . . . . 0.425 ' HD3' ' H ' ' B' ' 104' ' ' LYS . 0.0 OUTLIER -57.4 -31.67 66.07 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-O 121.761 0.791 . . . . 64.31 110.288 176.036 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 104' ' ' LYS . . . . . 0.428 ' O ' ' HG2' ' B' ' 108' ' ' GLN . 0.0 OUTLIER -70.65 -39.2 73.75 Favored 'General case' 0 C--O 1.214 -0.778 0 CA-C-N 114.208 -1.36 . . . . 74.43 110.599 178.303 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 105' ' ' LEU . . . . . 0.435 HD23 ' HD2' ' B' ' 102' ' ' PHE . 0.5 OUTLIER -59.73 -41.4 90.8 Favored 'General case' 0 C--N 1.375 1.715 0 N-CA-C 108.637 -0.875 . . . . 72.3 108.637 -178.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 106' ' ' TYR . . . . . 0.429 ' CE2' HD11 ' A' ' 9' ' ' ILE . 34.3 t80 -55.73 -51.79 66.14 Favored 'General case' 0 C--N 1.357 0.904 0 O-C-N 124.907 1.379 . . . . 75.0 109.297 176.614 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -64.64 -36.37 84.03 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 113.428 0.899 . . . . 73.31 113.428 -178.219 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 108' ' ' GLN . . . . . 0.428 ' HG2' ' O ' ' B' ' 104' ' ' LYS . 9.1 mm-40 -66.74 -59.14 3.83 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 122.717 0.407 . . . . 74.12 110.698 -175.618 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . 0.406 HG22 HG22 ' A' ' 9' ' ' ILE . 18.5 mt -63.7 -36.89 78.14 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.812 0 O-C-N 123.943 0.777 . . . . 74.34 110.259 -177.515 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -68.79 -36.78 78.69 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 123.597 0.759 . . . . 60.3 110.628 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -61.61 -43.45 98.84 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 122.605 0.362 . . . . 63.2 110.551 177.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 112' ' ' GLU . . . . . 0.463 ' O ' ' HG ' ' B' ' 116' ' ' LEU . 6.3 tp10 -66.45 -45.07 81.03 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 115.381 -0.827 . . . . 62.34 110.371 175.705 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -61.01 -35.8 77.81 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 124.903 1.281 . . . . 54.13 110.822 -177.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 114' ' ' GLU . . . . . 0.698 ' HA ' ' HE2' ' B' ' 117' ' ' LYS . 2.6 tt0 -64.77 -50.71 65.73 Favored 'General case' 0 C--O 1.25 1.087 0 C-N-CA 124.794 1.237 . . . . 54.12 110.043 177.445 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 23.9 ttpt -54.92 -41.58 71.18 Favored 'General case' 0 C--N 1.349 0.576 0 O-C-N 124.237 0.961 . . . . 75.41 110.02 174.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 116' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' B' ' 112' ' ' GLU . 93.7 mt -66.0 -32.25 73.62 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 115.252 -0.886 . . . . 54.3 112.036 -176.12 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 117' ' ' LYS . . . . . 0.698 ' HE2' ' HA ' ' B' ' 114' ' ' GLU . 46.4 mtmt -66.04 -45.32 81.84 Favored 'General case' 0 N--CA 1.482 1.138 0 CA-C-O 121.277 0.56 . . . . 64.31 110.116 174.61 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -67.99 -48.76 64.89 Favored 'General case' 0 C--O 1.241 0.64 0 CA-C-N 115.299 -0.864 . . . . 42.54 111.102 -175.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 119' ' ' GLN . . . . . 0.423 HE22 ' HB3' ' A' ' 20' ' ' LEU . 5.1 pp0? -66.96 -37.09 83.63 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 123.457 0.703 . . . . 73.13 111.155 -175.415 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 1.1 pp -64.89 -42.08 95.08 Favored 'General case' 0 C--N 1.36 1.053 0 N-CA-C 109.351 -0.611 . . . . 63.4 109.351 178.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 121' ' ' HIS . . . . . 0.508 ' O ' ' HG2' ' B' ' 125' ' ' MET . 34.5 t-80 -60.22 -42.51 95.34 Favored 'General case' 0 C--N 1.358 0.965 0 O-C-N 124.008 0.817 . . . . 72.51 109.961 179.106 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -61.47 -48.81 79.41 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 124.03 0.932 . . . . 72.11 111.149 178.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 123' ' ' THR . . . . . 0.633 HG22 HG22 ' A' ' 23' ' ' THR . 17.8 m -63.84 -31.98 73.35 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 123.738 0.815 . . . . 51.01 110.687 179.059 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 124' ' ' ASN . . . . . 0.53 ' ND2' HG21 ' A' ' 23' ' ' THR . 1.0 OUTLIER -72.47 -35.42 68.21 Favored 'General case' 0 C--N 1.351 0.633 0 CA-C-N 115.644 -0.707 . . . . 51.44 110.134 177.855 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 125' ' ' MET . . . . . 0.508 ' HG2' ' O ' ' B' ' 121' ' ' HIS . 87.8 mmm -63.97 -39.24 93.68 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.171 0.588 . . . . 61.02 112.237 177.01 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 126' ' ' GLU . . . . . 0.491 ' O ' ' HG ' ' B' ' 130' ' ' LEU . 19.3 mt-10 -65.95 -46.38 78.34 Favored 'General case' 0 C--N 1.349 0.571 0 O-C-N 123.702 0.626 . . . . 65.44 109.348 176.735 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 127' ' ' LEU . . . . . 0.541 HD22 HG23 ' A' ' 23' ' ' THR . 41.3 tp -60.62 -37.45 81.48 Favored 'General case' 0 CA--C 1.556 1.199 0 C-N-CA 123.914 0.886 . . . . 75.55 111.235 179.044 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 128' ' ' THR . . . . . . . . . . . . . 29.1 m -67.11 -41.29 86.48 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.429 1.092 . . . . 44.32 110.107 176.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -66.78 -32.74 74.23 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-N 115.267 -0.879 . . . . 74.42 110.668 179.045 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 130' ' ' LEU . . . . . 0.491 ' HG ' ' O ' ' B' ' 126' ' ' GLU . 95.5 mt -71.85 -46.63 57.35 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.446 0.698 . . . . 72.23 111.866 -177.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.91 -32.43 72.05 Favored 'General case' 0 N--CA 1.486 1.362 0 CA-C-O 120.933 0.397 . . . . 71.42 110.249 179.261 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 35.1 tp -69.6 -41.4 75.79 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 116.085 -0.507 . . . . 74.23 110.561 176.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 133' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -69.51 -20.88 63.71 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 122.686 0.394 . . . . 71.2 110.94 174.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 134' ' ' LEU . . . . . 0.414 HD13 HE22 ' A' ' 33' ' ' GLN . 17.1 tp . . . . . 0 N--CA 1.475 0.79 0 C-N-CA 123.498 0.719 . . . . 74.11 110.449 -178.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.475 0.779 0 N-CA-C 109.711 -0.477 . . . . 74.25 109.711 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.41 ' O ' ' HG2' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -78.3 -22.52 48.07 Favored 'General case' 0 C--O 1.215 -0.73 0 N-CA-C 109.386 -0.598 . . . . 74.24 109.386 -178.13 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 24.3 tp -54.32 -41.93 69.57 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.767 0.827 . . . . 73.51 109.957 172.421 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -55.43 -56.14 23.64 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-N 114.319 -1.31 . . . . 74.11 109.416 171.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.78 -31.65 64.86 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 113.199 0.814 . . . . 73.51 113.199 179.613 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.41 ' HG2' ' O ' ' A' ' 4' ' ' LYS . 10.1 mm-40 -64.11 -69.31 0.29 Allowed 'General case' 0 N--CA 1.48 1.025 0 O-C-N 123.29 0.369 . . . . 71.15 110.959 -178.17 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.546 HD11 ' CD2' ' B' ' 106' ' ' TYR . 15.4 mt -59.33 -40.76 82.24 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 O-C-N 123.006 0.191 . . . . 64.21 111.011 179.546 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.41 -28.19 69.07 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 123.704 0.801 . . . . 73.35 110.983 -177.069 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.57 -50.18 70.5 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 122.748 0.419 . . . . 74.22 110.202 174.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -70.13 -31.31 68.78 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 116.04 -0.527 . . . . 72.01 110.767 177.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -64.92 -41.61 95.41 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 124.094 0.958 . . . . 61.01 109.812 179.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.402 ' HA ' ' HE2' ' A' ' 17' ' ' LYS . 2.7 tt0 -57.82 -51.0 71.38 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.864 1.266 . . . . 74.24 110.002 173.74 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.8 ttpt -57.37 -45.59 84.25 Favored 'General case' 0 C--O 1.22 -0.484 0 CA-C-N 114.777 -1.102 . . . . 74.11 110.221 178.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.474 ' HB3' ' HB3' ' B' ' 116' ' ' LEU . 82.1 mt -64.83 -32.83 74.71 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 123.933 0.893 . . . . 51.11 111.251 -174.268 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.425 ' HA ' HD23 ' A' ' 20' ' ' LEU . 50.7 mtmt -68.74 -38.47 80.17 Favored 'General case' 0 N--CA 1.472 0.673 0 O-C-N 123.464 0.478 . . . . 64.31 110.569 174.218 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.7 -53.54 21.54 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 115.85 -0.614 . . . . 73.44 110.903 -176.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.426 ' OE1' HD22 ' B' ' 120' ' ' LEU . 0.4 OUTLIER -68.72 -32.25 71.9 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.054 0.941 . . . . 65.42 112.797 -177.194 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 17' ' ' LYS . 0.9 OUTLIER -66.36 -42.99 87.23 Favored 'General case' 0 C--N 1.356 0.861 0 N-CA-C 108.617 -0.883 . . . . 72.42 108.617 174.714 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 57.2 t-80 -62.06 -37.82 86.45 Favored 'General case' 0 C--N 1.355 0.843 0 O-C-N 123.969 0.793 . . . . 63.31 110.138 -178.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -59.62 -52.28 66.19 Favored 'General case' 0 C--N 1.353 0.744 0 O-C-N 123.831 0.707 . . . . 73.43 110.429 172.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.558 ' HA ' ' HG2' ' A' ' 26' ' ' GLU . 21.4 m -66.92 -27.34 67.41 Favored 'General case' 0 CA--C 1.547 0.851 0 O-C-N 123.829 0.706 . . . . 55.3 112.373 -176.445 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.535 ' ND2' HG21 ' B' ' 123' ' ' THR . 0.9 OUTLIER -75.35 -43.1 52.38 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.178 0.591 . . . . 75.5 109.769 177.578 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.28 -38.74 85.56 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.96 -0.563 . . . . 75.23 111.691 179.589 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.558 ' HG2' ' HA ' ' A' ' 23' ' ' THR . 13.3 pt-20 -80.23 -19.55 46.63 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 123.595 0.559 . . . . 74.45 110.376 178.717 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.559 HD22 HG23 ' B' ' 123' ' ' THR . 50.5 tp -69.89 -50.6 40.79 Favored 'General case' 0 C--N 1.353 0.721 0 C-N-CA 123.025 0.53 . . . . 71.51 109.765 171.283 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 88.7 m -63.57 -41.39 98.39 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.053 0.941 . . . . 63.43 110.407 179.123 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.522 ' O ' ' HG2' ' A' ' 33' ' ' GLN . 2.6 t70 -58.18 -52.98 63.31 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 114.281 -1.327 . . . . 72.33 109.978 173.52 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.44 HD13 HE21 ' A' ' 33' ' ' GLN . 0.5 OUTLIER -58.19 -48.76 79.32 Favored 'General case' 0 C--N 1.355 0.831 0 O-C-N 124.204 0.94 . . . . 62.31 111.658 -174.794 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.5 -32.87 72.0 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 123.55 0.531 . . . . 64.32 111.609 -176.672 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.2 tt -60.11 -60.44 3.82 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.225 1.01 . . . . 74.51 110.613 178.489 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.522 ' HG2' ' O ' ' A' ' 29' ' ' ASP . 7.2 pt20 -68.07 -36.6 80.09 Favored 'General case' 0 CA--C 1.552 1.037 0 CA-C-N 115.282 -0.872 . . . . 65.15 110.611 -179.364 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 37.7 tp . . . . . 0 N--CA 1.479 1.0 0 C-N-CA 123.899 0.88 . . . . 72.1 110.449 179.528 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 102' ' ' PHE . . . . . 0.445 ' HD2' HD23 ' B' ' 105' ' ' LEU . 96.5 m-85 . . . . . 0 N--CA 1.473 0.714 0 N-CA-C 111.794 0.294 . . . . 73.01 111.794 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.0 -34.46 71.88 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 108.924 -0.769 . . . . 53.23 108.924 174.633 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 104' ' ' LYS . . . . . 0.485 ' O ' ' HG2' ' B' ' 108' ' ' GLN . 0.0 OUTLIER -62.58 -41.65 99.07 Favored 'General case' 0 C--N 1.362 1.122 0 CA-C-N 115.024 -0.989 . . . . 75.41 110.816 176.253 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 105' ' ' LEU . . . . . 0.445 HD23 ' HD2' ' B' ' 102' ' ' PHE . 0.5 OUTLIER -60.77 -41.85 96.31 Favored 'General case' 0 C--N 1.377 1.782 0 N-CA-C 109.109 -0.701 . . . . 73.11 109.109 -178.095 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 106' ' ' TYR . . . . . 0.546 ' CD2' HD11 ' A' ' 9' ' ' ILE . 39.5 t80 -57.39 -46.62 83.25 Favored 'General case' 0 C--N 1.36 1.053 0 O-C-N 124.366 1.041 . . . . 74.53 109.277 178.203 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -66.88 -39.7 87.57 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.063 0.945 . . . . 73.31 112.376 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 108' ' ' GLN . . . . . 0.485 ' HG2' ' O ' ' B' ' 104' ' ' LYS . 11.9 mm-40 -67.83 -58.49 4.51 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 122.992 0.517 . . . . 75.45 111.169 -175.166 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 18.6 mt -69.14 -37.3 76.35 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.617 0 CA-C-N 115.617 -0.719 . . . . 64.34 110.654 -174.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 110' ' ' LEU . . . . . 0.526 ' HB2' HD13 ' A' ' 9' ' ' ILE . 19.6 tp -74.14 -27.78 61.02 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 122.593 0.357 . . . . 71.51 111.518 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -62.89 -45.64 91.58 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 109.592 -0.521 . . . . 73.44 109.592 171.389 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 112' ' ' GLU . . . . . 0.449 ' O ' ' HG ' ' B' ' 116' ' ' LEU . 5.8 tp10 -64.68 -45.24 87.51 Favored 'General case' 0 C--O 1.216 -0.702 0 CA-C-N 115.152 -0.931 . . . . 72.32 110.017 176.683 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -59.84 -40.71 89.43 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 125.11 1.364 . . . . 52.22 110.694 -177.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -59.32 -54.17 49.87 Favored 'General case' 0 C--O 1.243 0.758 0 C-N-CA 124.319 1.048 . . . . 74.15 110.008 175.312 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 26.2 ttpt -56.17 -41.57 75.69 Favored 'General case' 0 C--O 1.218 -0.582 0 O-C-N 124.253 0.971 . . . . 63.3 110.298 178.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 116' ' ' LEU . . . . . 0.474 ' HB3' ' HB3' ' A' ' 16' ' ' LEU . 90.9 mt -64.78 -30.86 71.88 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 123.994 0.809 . . . . 71.44 111.463 -176.291 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 117' ' ' LYS . . . . . 0.479 ' HA ' HD23 ' B' ' 120' ' ' LEU . 54.3 mtmt -75.08 -35.69 61.8 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-O 120.787 0.327 . . . . 72.14 111.002 175.032 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -71.5 -42.23 68.29 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.492 0.717 . . . . 72.12 111.223 -179.286 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 119' ' ' GLN . . . . . 0.403 HE22 ' HB3' ' A' ' 20' ' ' LEU . 5.0 pp0? -76.43 -36.01 58.23 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.511 0.724 . . . . 74.44 110.765 -174.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 120' ' ' LEU . . . . . 0.479 HD23 ' HA ' ' B' ' 117' ' ' LYS . 1.2 pp -64.22 -43.99 93.29 Favored 'General case' 0 C--N 1.363 1.183 0 N-CA-C 108.627 -0.879 . . . . 75.12 108.627 176.328 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 -56.63 -46.57 80.9 Favored 'General case' 0 C--N 1.363 1.153 0 O-C-N 124.08 0.862 . . . . 73.12 110.686 179.059 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -63.48 -45.32 91.28 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 124.038 0.836 . . . . 72.43 111.292 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 123' ' ' THR . . . . . 0.559 HG23 HD22 ' A' ' 27' ' ' LEU . 37.5 m -69.97 -25.51 63.65 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 123.25 0.62 . . . . 61.22 111.399 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 124' ' ' ASN . . . . . 0.507 ' ND2' HG21 ' A' ' 23' ' ' THR . 0.9 OUTLIER -71.26 -36.21 71.66 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 109.403 -0.591 . . . . 53.31 109.403 172.807 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 125' ' ' MET . . . . . . . . . . . . . 2.5 mmt -68.65 -38.8 80.73 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.262 0.625 . . . . 63.03 110.948 177.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -61.45 -44.75 96.55 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.356 0.662 . . . . 65.03 109.589 174.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 46.0 tp -62.89 -39.86 95.77 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 124.408 1.083 . . . . 73.34 110.864 178.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 128' ' ' THR . . . . . . . . . . . . . 86.2 m -64.31 -35.96 82.55 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.056 0.942 . . . . 53.42 110.434 177.27 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -65.34 -46.53 79.87 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 115.255 -0.884 . . . . 74.41 110.274 178.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 130' ' ' LEU . . . . . 0.46 HD12 HD12 ' A' ' 27' ' ' LEU . 68.0 mt -69.75 -34.12 73.37 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.276 0.63 . . . . 72.11 111.624 -178.533 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.27 -33.15 67.25 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 109.023 -0.732 . . . . 75.13 109.023 -179.063 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 56.0 tp -64.96 -47.75 76.52 Favored 'General case' 0 C--N 1.356 0.877 0 C-N-CA 123.611 0.764 . . . . 73.45 109.312 173.07 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 133' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -63.63 -28.8 70.16 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 115.644 -0.707 . . . . 72.13 111.331 178.171 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 22.4 tp . . . . . 0 C--O 1.25 1.122 0 CA-C-O 121.829 0.823 . . . . 75.1 110.104 -178.279 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.544 0.731 0 N-CA-C 109.307 -0.627 . . . . 64.11 109.307 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.476 ' HE3' ' HG2' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -75.78 -28.86 58.56 Favored 'General case' 0 C--N 1.361 1.097 0 CA-C-O 119.022 -0.513 . . . . 65.03 110.092 179.239 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 24.5 tp -56.77 -48.55 77.61 Favored 'General case' 0 N--CA 1.483 1.208 0 O-C-N 123.419 0.449 . . . . 65.43 109.952 175.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 20.1 t80 -54.57 -52.93 60.57 Favored 'General case' 0 C--N 1.358 0.95 0 O-C-N 124.544 1.153 . . . . 71.43 109.763 175.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -65.28 -34.34 78.11 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 115.022 -0.99 . . . . 74.13 113.436 -173.029 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.476 ' HG2' ' HE3' ' A' ' 4' ' ' LYS . 5.8 mm-40 -69.55 -55.01 11.34 Favored 'General case' 0 N--CA 1.488 1.425 0 CA-C-N 118.068 0.394 . . . . 74.24 111.01 -177.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.51 HD11 ' CD2' ' B' ' 106' ' ' TYR . 3.5 mt -58.93 -47.14 90.61 Favored 'Isoleucine or valine' 0 C--N 1.366 1.307 0 O-C-N 123.452 0.47 . . . . 71.3 110.042 176.762 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -65.27 -30.71 71.6 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 124.584 1.153 . . . . 71.1 111.095 -174.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.84 -39.82 76.19 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 122.513 0.325 . . . . 42.21 110.338 175.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 20.9 tp10 -73.12 -31.8 64.53 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 123.581 0.752 . . . . 45.02 110.497 176.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -74.07 -44.43 54.18 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 124.923 1.289 . . . . 74.44 109.104 -175.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -65.99 -42.9 89.2 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 114.696 -1.138 . . . . 74.35 109.947 174.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.2 ttpt -52.67 -49.42 65.29 Favored 'General case' 0 CA--C 1.544 0.719 0 O-C-N 123.85 0.719 . . . . 74.14 110.555 174.34 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 92.3 mt -66.03 -29.44 69.8 Favored 'General case' 0 N--CA 1.477 0.881 0 O-C-N 124.154 0.909 . . . . 72.25 111.424 179.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.685 ' HA ' HD23 ' A' ' 20' ' ' LEU . 0.3 OUTLIER -72.79 -32.86 65.89 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 123.236 0.614 . . . . 73.31 110.776 174.605 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.88 -50.8 18.54 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.352 0.661 . . . . 74.14 110.247 -177.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -66.86 -34.97 78.96 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.155 0.582 . . . . 73.21 111.478 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.685 HD23 ' HA ' ' A' ' 17' ' ' LYS . 0.4 OUTLIER -63.65 -41.98 98.17 Favored 'General case' 0 C--N 1.364 1.205 0 N-CA-C 109.036 -0.727 . . . . 75.44 109.036 175.9 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.492 ' O ' ' HG2' ' A' ' 25' ' ' MET . 38.9 t-80 -58.94 -50.23 74.85 Favored 'General case' 0 C--N 1.354 0.779 0 O-C-N 123.96 0.788 . . . . 54.4 110.294 -178.289 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.406 ' O ' ' HG2' ' A' ' 26' ' ' GLU . 3.2 m-20 -58.9 -42.59 89.97 Favored 'General case' 0 N--CA 1.48 1.075 0 O-C-N 123.988 0.805 . . . . 65.24 111.369 176.065 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.6 HG22 HG22 ' B' ' 123' ' ' THR . 81.4 m -65.7 -31.57 72.64 Favored 'General case' 0 CA--C 1.552 1.044 0 O-C-N 123.999 0.812 . . . . 72.23 111.412 -179.518 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.501 ' ND2' HG21 ' B' ' 123' ' ' THR . 5.3 m-80 -74.8 -39.12 61.89 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.554 0.742 . . . . 64.34 110.324 177.669 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.492 ' HG2' ' O ' ' A' ' 21' ' ' HIS . 90.6 mmm -65.25 -45.19 85.56 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.191 0.596 . . . . 65.12 111.024 178.036 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.406 ' HG2' ' O ' ' A' ' 22' ' ' ASP . 14.8 pt-20 -76.29 -23.92 54.39 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 116.394 -0.366 . . . . 73.35 110.941 179.459 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.4 tt -63.89 -43.14 96.9 Favored 'General case' 0 C--N 1.357 0.892 0 N-CA-C 107.877 -1.157 . . . . 74.32 107.877 169.274 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 27.9 m -65.43 -39.4 92.05 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.343 0.657 . . . . 74.21 111.23 179.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.43 ' O ' ' HG3' ' A' ' 33' ' ' GLN . 12.6 t70 -62.25 -59.25 5.3 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.241 0.617 . . . . 63.3 109.338 179.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.585 HD22 HD22 ' B' ' 127' ' ' LEU . 9.6 mp -53.05 -54.23 38.5 Favored 'General case' 0 C--O 1.207 -1.142 0 O-C-N 124.909 1.381 . . . . 52.43 110.069 -179.479 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 53.5 tptt -46.58 -55.23 7.94 Favored 'General case' 0 C--O 1.248 1.008 0 C-N-CA 125.87 1.668 . . . . 65.21 112.279 177.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 60.6 tp -62.45 -66.19 0.58 Allowed 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 114.988 -1.006 . . . . 71.42 111.372 -172.205 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.43 ' HG3' ' O ' ' A' ' 29' ' ' ASP . 2.7 pp0? -71.56 -20.64 61.99 Favored 'General case' 0 CA--C 1.546 0.827 0 N-CA-C 112.297 0.48 . . . . 75.04 112.297 -174.528 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 21.1 tp . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 118.884 -0.579 . . . . 72.32 110.289 171.642 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 102' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 . . . . . 0 C--O 1.248 0.993 0 CA-C-O 121.107 0.48 . . . . 71.14 110.465 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 103' ' ' LYS . . . . . 0.414 ' O ' ' HG2' ' B' ' 107' ' ' GLU . 0.0 OUTLIER -59.38 -31.47 69.26 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 109.215 -0.661 . . . . 74.41 109.215 173.268 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 104' ' ' LYS . . . . . 0.481 ' O ' ' HG2' ' B' ' 108' ' ' GLN . 0.0 OUTLIER -73.57 -31.39 63.59 Favored 'General case' 0 C--O 1.213 -0.835 0 CA-C-N 114.45 -1.25 . . . . 74.13 110.812 -179.233 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.04 -41.87 99.6 Favored 'General case' 0 C--N 1.369 1.435 0 N-CA-C 107.557 -1.275 . . . . 74.23 107.557 175.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 106' ' ' TYR . . . . . 0.51 ' CD2' HD11 ' A' ' 9' ' ' ILE . 21.0 t80 -61.47 -40.98 96.48 Favored 'General case' 0 C--N 1.359 0.979 0 CA-C-N 114.802 -1.09 . . . . 70.05 109.595 176.236 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 107' ' ' GLU . . . . . 0.414 ' HG2' ' O ' ' B' ' 103' ' ' LYS . 28.5 mm-40 -64.69 -46.79 80.9 Favored 'General case' 0 C--N 1.352 0.681 0 C-N-CA 122.945 0.498 . . . . 54.13 112.059 178.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 108' ' ' GLN . . . . . 0.481 ' HG2' ' O ' ' B' ' 104' ' ' LYS . 14.5 mm-40 -62.89 -58.01 8.86 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 123.051 0.54 . . . . 70.52 110.965 -172.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 12.9 mt -70.26 -39.57 76.94 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.844 0 CA-C-N 115.242 -0.89 . . . . 62.31 110.794 -172.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -73.18 -32.15 64.66 Favored 'General case' 0 N--CA 1.491 1.581 0 C-N-CA 122.911 0.484 . . . . 74.3 110.699 -178.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -68.26 -39.39 82.23 Favored 'General case' 0 N--CA 1.487 1.42 0 CA-C-N 118.0 0.363 . . . . 72.13 110.17 175.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 112' ' ' GLU . . . . . 0.419 ' O ' ' HG ' ' B' ' 116' ' ' LEU . 4.8 tp10 -66.49 -40.75 89.46 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 115.378 -0.828 . . . . 74.34 109.921 173.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -64.65 -36.27 83.72 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 124.841 1.256 . . . . 72.41 110.601 -178.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -61.27 -51.92 66.91 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.413 1.085 . . . . 75.43 109.71 172.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 16.6 ttpt -59.14 -34.66 72.33 Favored 'General case' 0 C--N 1.349 0.571 0 CA-C-N 115.111 -0.949 . . . . 74.24 110.266 177.353 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 116' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' B' ' 112' ' ' GLU . 74.7 mt -67.24 -33.49 75.44 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.536 0.734 . . . . 65.01 111.491 -178.677 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -70.06 -38.98 75.92 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 110.065 -0.346 . . . . 72.22 110.065 174.142 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -69.78 -43.75 71.5 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 123.734 0.813 . . . . 53.3 111.466 -176.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -74.54 -38.18 62.82 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.505 -0.77 . . . . 71.12 110.28 -176.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.88 -36.58 80.5 Favored 'General case' 0 C--N 1.363 1.177 0 N-CA-C 108.927 -0.768 . . . . 73.43 108.927 -178.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 121' ' ' HIS . . . . . 0.57 ' O ' ' HG2' ' B' ' 125' ' ' MET . 41.5 t-80 -56.62 -53.75 53.98 Favored 'General case' 0 C--N 1.359 1.007 0 N-CA-C 108.694 -0.854 . . . . 71.54 108.694 175.349 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 122' ' ' ASP . . . . . 0.413 ' O ' ' HG3' ' B' ' 126' ' ' GLU . 32.7 t70 -54.21 -48.41 71.05 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 124.451 1.095 . . . . 70.25 112.04 178.796 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 123' ' ' THR . . . . . 0.6 HG22 HG22 ' A' ' 23' ' ' THR . 7.0 m -68.13 -33.02 73.71 Favored 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 123.551 0.741 . . . . 73.11 110.688 -176.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 124' ' ' ASN . . . . . 0.587 ' ND2' HG21 ' A' ' 23' ' ' THR . 0.9 OUTLIER -75.51 -30.16 59.73 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.65 0.78 . . . . 64.15 110.707 178.47 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 125' ' ' MET . . . . . 0.57 ' HG2' ' O ' ' B' ' 121' ' ' HIS . 93.7 mmm -68.89 -42.29 77.16 Favored 'General case' 0 C--N 1.353 0.722 0 C-N-CA 122.564 0.346 . . . . 72.02 110.485 175.589 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 126' ' ' GLU . . . . . 0.413 ' HG3' ' O ' ' B' ' 122' ' ' ASP . 14.6 mt-10 -67.45 -37.8 83.51 Favored 'General case' 0 N--CA 1.476 0.864 0 O-C-N 123.42 0.45 . . . . 52.32 109.808 177.316 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 127' ' ' LEU . . . . . 0.585 HD22 HD22 ' A' ' 30' ' ' LEU . 3.0 tm? -60.74 -47.95 84.0 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 123.948 0.899 . . . . 51.03 110.509 177.639 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 128' ' ' THR . . . . . 0.537 ' HA ' ' HG2' ' B' ' 131' ' ' LYS . 87.8 m -68.42 -30.82 69.8 Favored 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 123.666 0.786 . . . . 73.32 110.688 178.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -68.89 -49.16 60.57 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.196 0.598 . . . . 73.31 109.558 178.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 130' ' ' LEU . . . . . 0.51 ' HB3' ' HB3' ' A' ' 30' ' ' LEU . 97.4 mt -65.54 -35.92 82.28 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.625 0.77 . . . . 65.51 110.976 -178.201 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 131' ' ' LYS . . . . . 0.537 ' HG2' ' HA ' ' B' ' 128' ' ' THR . 10.3 pttp -71.77 -28.34 63.56 Favored 'General case' 0 C--N 1.365 1.248 0 O-C-N 123.374 0.421 . . . . 71.12 110.188 178.097 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 32.1 tp -64.07 -52.27 60.1 Favored 'General case' 0 C--N 1.351 0.671 0 O-C-N 123.767 0.667 . . . . 64.52 109.797 177.002 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 133' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -70.82 -21.1 62.5 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-N 116.718 -0.219 . . . . 64.03 111.506 176.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.482 1.165 0 N-CA-C 107.711 -1.218 . . . . 73.52 107.711 172.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.481 ' HD3' ' H ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.474 0.737 0 CA-C-O 121.322 0.582 . . . . 74.13 109.914 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.481 ' H ' ' HD3' ' A' ' 3' ' ' LYS . 0.1 OUTLIER -83.83 -26.23 29.7 Favored 'General case' 0 C--O 1.213 -0.862 0 CA-C-N 114.984 -1.007 . . . . 62.1 109.42 179.012 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 20.6 tp -55.87 -45.43 78.54 Favored 'General case' 0 C--N 1.364 1.209 0 N-CA-C 109.628 -0.508 . . . . 71.13 109.628 173.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -54.61 -53.45 54.52 Favored 'General case' 0 C--N 1.358 0.957 0 O-C-N 124.747 1.279 . . . . 71.43 109.512 173.097 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -58.81 -35.58 73.1 Favored 'General case' 0 N--CA 1.472 0.641 0 O-C-N 124.52 1.138 . . . . 74.44 112.924 -177.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.417 ' HG2' ' O ' ' A' ' 4' ' ' LYS . 8.6 mm-40 -64.25 -64.55 0.85 Allowed 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 123.144 0.578 . . . . 72.1 111.057 -176.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.554 HD11 ' CD1' ' B' ' 106' ' ' TYR . 14.1 mt -59.9 -40.64 83.42 Favored 'Isoleucine or valine' 0 C--N 1.358 0.947 0 CA-C-O 119.558 -0.258 . . . . 63.13 111.224 177.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.75 -30.68 70.96 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 123.406 0.682 . . . . 74.33 110.959 -176.394 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.4 -44.85 93.49 Favored 'General case' 0 N--CA 1.48 1.073 0 N-CA-C 109.653 -0.499 . . . . 51.02 109.653 175.306 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.465 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 2.9 tp10 -69.66 -36.6 76.19 Favored 'General case' 0 C--O 1.211 -0.97 0 CA-C-N 115.051 -0.977 . . . . 73.13 110.385 176.738 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -66.34 -46.58 76.32 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 125.001 1.32 . . . . 72.23 110.307 -175.109 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -58.9 -47.92 83.27 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.689 1.196 . . . . 61.34 109.966 173.093 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.9 ttpt -58.83 -40.58 84.6 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 123.949 0.781 . . . . 73.42 110.852 178.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.497 ' HB3' ' HB3' ' B' ' 116' ' ' LEU . 86.6 mt -68.82 -30.16 68.65 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.606 0.762 . . . . 64.33 110.84 -177.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.35 -33.06 67.01 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 123.244 0.617 . . . . 74.54 109.91 174.061 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.82 -58.67 3.85 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 116.059 -0.519 . . . . 75.54 110.343 179.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -64.91 -28.21 69.38 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.642 0.777 . . . . 74.22 112.661 -177.124 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.494 ' HB3' HE22 ' B' ' 119' ' ' GLN . 0.9 OUTLIER -67.01 -44.41 80.37 Favored 'General case' 0 C--N 1.359 1.015 0 N-CA-C 109.401 -0.592 . . . . 72.24 109.401 171.89 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -55.6 -36.41 66.89 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 123.829 0.852 . . . . 63.12 110.419 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -64.11 -56.49 14.51 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.823 0.849 . . . . 52.24 111.284 171.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.566 HG22 HG22 ' B' ' 123' ' ' THR . 6.8 m -67.66 -24.58 65.45 Favored 'General case' 0 N--CA 1.481 1.099 0 N-CA-C 111.892 0.33 . . . . 70.42 111.892 -173.73 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.608 ' ND2' HG21 ' B' ' 123' ' ' THR . 1.1 m-80 -80.17 -41.53 25.14 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.863 0.865 . . . . 73.12 110.292 -178.332 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 23.8 ptp -66.63 -46.05 77.06 Favored 'General case' 0 C--N 1.356 0.856 0 CA-C-O 119.341 -0.361 . . . . 74.5 110.146 178.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.433 ' HG3' HD13 ' B' ' 127' ' ' LEU . 12.7 pt-20 -71.74 -25.61 62.13 Favored 'General case' 0 C--O 1.211 -0.942 0 C-N-CA 122.844 0.458 . . . . 72.54 110.544 -177.444 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.5 tt -60.64 -51.27 70.11 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 109.381 -0.6 . . . . 64.42 109.381 171.105 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.0 m -64.26 -43.72 93.96 Favored 'General case' 0 CA--C 1.544 0.713 0 O-C-N 124.011 0.82 . . . . 73.22 111.101 -176.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -59.66 -57.27 13.66 Favored 'General case' 0 C--N 1.355 0.806 0 O-C-N 124.031 0.832 . . . . 70.41 109.974 176.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -48.62 -47.45 40.17 Favored 'General case' 0 N--CA 1.484 1.261 0 O-C-N 124.955 1.41 . . . . 64.01 111.784 179.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.2 tptt -58.94 -47.01 86.58 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 124.986 1.314 . . . . 72.22 110.584 -179.2 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 56.0 tp -64.35 -62.06 1.84 Allowed 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 115.134 -0.939 . . . . 73.44 110.046 -173.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.12 -39.46 78.75 Favored 'General case' 0 C--O 1.247 0.928 0 CA-C-N 115.25 -0.886 . . . . 75.53 111.249 179.102 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 29.0 tp . . . . . 0 C--O 1.247 0.965 0 C-N-CA 123.826 0.85 . . . . 64.34 111.089 -178.621 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 102' ' ' PHE . . . . . 0.528 ' HD1' HD23 ' B' ' 105' ' ' LEU . 96.7 m-85 . . . . . 0 C--O 1.246 0.901 0 N-CA-C 113.691 0.997 . . . . 74.21 113.691 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.53 -36.55 74.03 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 109.578 -0.527 . . . . 75.1 109.578 173.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 104' ' ' LYS . . . . . 0.429 ' O ' ' HG2' ' B' ' 108' ' ' GLN . 0.1 OUTLIER -65.48 -37.62 87.38 Favored 'General case' 0 C--N 1.361 1.085 0 CA-C-O 118.48 -0.771 . . . . 62.32 111.24 178.095 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 105' ' ' LEU . . . . . 0.528 HD23 ' HD1' ' B' ' 102' ' ' PHE . 0.4 OUTLIER -60.65 -44.38 96.47 Favored 'General case' 0 C--N 1.378 1.811 0 N-CA-C 108.616 -0.883 . . . . 73.34 108.616 -177.772 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 106' ' ' TYR . . . . . 0.554 ' CD1' HD11 ' A' ' 9' ' ' ILE . 46.0 t80 -57.66 -47.92 80.94 Favored 'General case' 0 C--N 1.364 1.199 0 O-C-N 124.355 1.034 . . . . 65.42 109.653 179.327 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -66.87 -39.77 87.64 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 124.184 0.927 . . . . 72.33 112.881 -176.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 108' ' ' GLN . . . . . 0.429 ' HG2' ' O ' ' B' ' 104' ' ' LYS . 7.5 mm-40 -67.08 -53.43 31.0 Favored 'General case' 0 N--CA 1.486 1.331 0 O-C-N 123.381 0.426 . . . . 73.5 110.753 -176.252 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 13.8 mt -70.27 -38.72 75.35 Favored 'Isoleucine or valine' 0 C--N 1.352 0.714 0 O-C-N 123.73 0.644 . . . . 72.52 110.495 -175.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -70.05 -30.66 67.98 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 123.325 0.65 . . . . 72.03 110.378 179.715 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -65.32 -45.99 82.07 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 122.628 0.371 . . . . 31.43 110.011 173.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 112' ' ' GLU . . . . . 0.416 ' O ' ' HG ' ' B' ' 116' ' ' LEU . 38.4 tp10 -68.93 -33.48 73.8 Favored 'General case' 0 C--O 1.215 -0.757 0 CA-C-N 115.775 -0.648 . . . . 73.4 110.425 177.235 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -69.18 -38.24 78.58 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 124.772 1.229 . . . . 55.0 109.775 -179.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -61.3 -49.94 74.99 Favored 'General case' 0 C--N 1.352 0.715 0 C-N-CA 124.605 1.162 . . . . 73.3 109.391 172.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 14.6 ttpt -56.84 -42.8 80.32 Favored 'General case' 0 C--O 1.216 -0.663 0 O-C-N 124.327 1.017 . . . . 71.0 110.142 178.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 116' ' ' LEU . . . . . 0.497 ' HB3' ' HB3' ' A' ' 16' ' ' LEU . 92.5 mt -68.67 -35.03 76.7 Favored 'General case' 0 C--N 1.349 0.572 0 C-N-CA 124.001 0.92 . . . . 72.44 111.086 -178.505 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 117' ' ' LYS . . . . . 0.461 ' HD3' HD21 ' B' ' 120' ' ' LEU . 0.8 OUTLIER -68.45 -37.27 80.07 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-O 121.492 0.663 . . . . 74.34 110.727 175.942 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -77.73 -40.47 41.05 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 114.904 -1.044 . . . . 71.04 111.182 -175.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 119' ' ' GLN . . . . . 0.494 HE22 ' HB3' ' A' ' 20' ' ' LEU . 5.3 pp0? -71.02 -39.27 72.44 Favored 'General case' 0 C--O 1.219 -0.532 0 N-CA-C 109.941 -0.392 . . . . 72.3 109.941 -178.493 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 120' ' ' LEU . . . . . 0.461 HD21 ' HD3' ' B' ' 117' ' ' LYS . 1.2 pp -65.73 -38.35 88.89 Favored 'General case' 0 C--N 1.361 1.088 0 N-CA-C 109.487 -0.56 . . . . 74.54 109.487 178.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 4.9 t-80 -51.81 -56.46 13.8 Favored 'General case' 0 C--N 1.357 0.899 0 C-N-CA 123.506 0.722 . . . . 73.1 110.853 172.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 122' ' ' ASP . . . . . 0.498 ' O ' ' HG2' ' B' ' 126' ' ' GLU . 1.6 m-20 -60.7 -44.12 96.94 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 123.982 0.801 . . . . 74.32 111.22 -179.449 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 123' ' ' THR . . . . . 0.608 HG21 ' ND2' ' A' ' 24' ' ' ASN . 42.1 m -65.29 -29.56 70.34 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 124.005 0.922 . . . . 65.54 111.554 -178.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 124' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -78.51 -34.21 47.5 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.76 0.824 . . . . 64.21 110.85 176.15 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 125' ' ' MET . . . . . . . . . . . . . 88.4 mmm -65.65 -33.82 76.77 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 122.833 0.453 . . . . 62.42 110.383 172.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 126' ' ' GLU . . . . . 0.513 ' O ' HD22 ' B' ' 130' ' ' LEU . 14.2 mm-40 -70.98 -47.76 57.07 Favored 'General case' 0 C--O 1.215 -0.731 0 C-N-CA 123.046 0.538 . . . . 75.3 109.931 174.572 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 127' ' ' LEU . . . . . 0.433 HD13 ' HG3' ' A' ' 26' ' ' GLU . 65.1 tp -53.65 -43.95 69.21 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 122.647 0.379 . . . . 70.25 110.757 175.681 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 128' ' ' THR . . . . . . . . . . . . . 33.0 m -62.71 -37.27 85.86 Favored 'General case' 0 C--N 1.355 0.844 0 C-N-CA 123.714 0.806 . . . . 75.41 110.358 175.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -66.44 -47.53 72.87 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 123.908 0.883 . . . . 55.32 111.436 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 130' ' ' LEU . . . . . 0.513 HD22 ' O ' ' B' ' 126' ' ' GLU . 1.2 mm? -64.22 -47.38 79.9 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 122.929 0.492 . . . . 75.11 111.203 -179.148 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.16 -30.47 69.59 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 116.187 -0.46 . . . . 71.15 110.242 -177.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 55.2 tp -65.76 -40.54 92.17 Favored 'General case' 0 C--N 1.359 0.999 0 C-N-CA 123.316 0.646 . . . . 71.52 110.181 177.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 133' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -74.88 -21.27 59.33 Favored 'General case' 0 C--O 1.218 -0.589 0 CA-C-N 116.024 -0.535 . . . . 72.12 110.42 177.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 14.9 tp . . . . . 0 N--CA 1.488 1.467 0 C-N-CA 123.536 0.735 . . . . 74.53 110.597 178.883 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.556 1.211 0 N-CA-C 109.561 -0.533 . . . . 73.51 109.561 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.21 -27.87 60.99 Favored 'General case' 0 C--N 1.36 1.03 0 CA-C-N 115.342 -0.844 . . . . 74.22 110.599 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 25.4 tp -58.36 -42.39 86.81 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-O 121.353 0.597 . . . . 71.43 109.947 178.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -55.31 -54.3 45.25 Favored 'General case' 0 C--N 1.349 0.58 0 CA-C-N 113.568 -1.651 . . . . 75.32 109.9 172.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -58.53 -35.95 73.1 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.253 1.021 . . . . 53.43 112.823 -176.223 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -64.09 -62.68 1.47 Allowed 'General case' 0 N--CA 1.481 1.111 0 O-C-N 123.521 0.513 . . . . 74.24 111.326 -176.288 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.562 HD11 ' CD1' ' B' ' 106' ' ' TYR . 7.9 mt -62.12 -47.2 94.27 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.84 0 O-C-N 123.532 0.52 . . . . 71.21 111.104 178.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.569 ' HA ' ' HB3' ' A' ' 13' ' ' ASN . 0.7 OUTLIER -64.35 -26.2 68.37 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 124.192 0.997 . . . . 71.32 110.964 -175.901 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.11 -49.0 76.15 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 110.172 -0.307 . . . . 54.14 110.172 173.144 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.507 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 38.1 tt0 -71.35 -33.39 69.55 Favored 'General case' 0 C--O 1.205 -1.253 0 CA-C-N 115.954 -0.567 . . . . 71.4 110.231 177.572 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.569 ' HB3' ' HA ' ' A' ' 10' ' ' LEU . 24.6 t-20 -70.83 -44.29 66.81 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 124.366 1.066 . . . . 72.04 110.724 -173.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -64.37 -43.06 95.68 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.595 0.758 . . . . 63.55 109.384 173.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.0 ttpt -56.65 -43.44 80.32 Favored 'General case' 0 C--O 1.214 -0.799 0 O-C-N 124.019 0.824 . . . . 62.45 110.241 175.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' ' 12' ' ' GLU . 84.4 mt -66.76 -34.06 76.99 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.963 0.905 . . . . 74.35 110.901 -178.09 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.56 -37.22 84.5 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 123.561 0.744 . . . . 72.24 109.426 174.04 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.62 -55.97 6.04 Favored 'General case' 0 C--N 1.346 0.42 0 CA-C-N 115.943 -0.571 . . . . 64.43 110.34 -175.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -67.46 -30.28 69.95 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 124.342 1.057 . . . . 73.23 112.184 -175.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.404 ' CB ' HE22 ' B' ' 119' ' ' GLN . 0.7 OUTLIER -68.13 -42.29 80.42 Favored 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 108.368 -0.975 . . . . 65.31 108.368 174.516 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.479 ' O ' ' HG2' ' A' ' 25' ' ' MET . 54.6 t-80 -59.1 -44.26 91.94 Favored 'General case' 0 C--N 1.36 1.035 0 O-C-N 124.225 0.953 . . . . 73.55 109.405 179.626 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -59.8 -51.04 71.43 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 123.941 0.776 . . . . 73.21 110.25 175.131 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.579 HG22 HG22 ' B' ' 123' ' ' THR . 39.5 m -61.6 -30.45 70.69 Favored 'General case' 0 C--N 1.355 0.847 0 O-C-N 124.098 0.874 . . . . 64.21 111.672 -176.338 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.512 ' ND2' HG21 ' B' ' 123' ' ' THR . 5.9 m-80 -77.45 -42.87 34.37 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.133 0.973 . . . . 74.11 110.675 177.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.479 ' HG2' ' O ' ' A' ' 21' ' ' HIS . 86.2 mmm -63.73 -38.83 92.57 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.116 0.567 . . . . 65.11 111.337 177.614 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.428 ' HA ' ' HB3' ' A' ' 29' ' ' ASP . 10.5 pt-20 -85.88 -20.09 29.59 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 123.853 0.721 . . . . 73.54 110.671 -178.062 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.461 ' HB2' ' O ' ' A' ' 23' ' ' THR . 7.3 tt -66.44 -47.95 71.53 Favored 'General case' 0 C--N 1.354 0.764 0 N-CA-C 108.816 -0.809 . . . . 64.35 108.816 168.472 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 24.6 m -73.97 -29.91 62.23 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 123.56 0.744 . . . . 73.42 110.804 -176.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.428 ' HB3' ' HA ' ' A' ' 26' ' ' GLU . 24.5 t70 -61.8 -59.81 4.59 Favored 'General case' 0 C--O 1.242 0.668 0 C-N-CA 124.06 0.944 . . . . 74.2 109.439 172.312 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.518 ' HB3' ' HB3' ' B' ' 130' ' ' LEU . 8.5 mp -56.84 -41.27 77.58 Favored 'General case' 0 C--O 1.205 -1.287 0 O-C-N 124.45 1.094 . . . . 74.12 111.292 178.456 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 38.8 tptt -53.05 -53.43 50.3 Favored 'General case' 0 C--O 1.26 1.644 0 C-N-CA 125.143 1.377 . . . . 72.33 111.437 177.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 36.2 tp -60.25 -57.99 10.44 Favored 'General case' 0 C--O 1.244 0.796 0 CA-C-N 114.291 -1.322 . . . . 74.03 110.386 -173.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -66.14 -32.8 74.47 Favored 'General case' 0 CA--C 1.55 0.945 0 CA-C-N 115.193 -0.912 . . . . 55.42 111.923 -179.003 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.464 ' HB2' ' O ' ' A' ' 30' ' ' LEU . 1.5 tm? . . . . . 0 N--CA 1.483 1.214 0 N-CA-C 109.081 -0.711 . . . . 70.13 109.081 -175.15 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 102' ' ' PHE . . . . . 0.403 ' HD2' HD23 ' B' ' 105' ' ' LEU . 89.7 m-85 . . . . . 0 N--CA 1.474 0.747 0 N-CA-C 113.312 0.856 . . . . 60.34 113.312 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.41 -34.69 74.31 Favored 'General case' 0 C--N 1.354 0.78 0 N-CA-C 110.131 -0.322 . . . . 74.01 110.131 177.206 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 104' ' ' LYS . . . . . 0.443 ' O ' ' HG2' ' B' ' 108' ' ' GLN . 0.0 OUTLIER -64.19 -39.37 93.86 Favored 'General case' 0 C--N 1.362 1.126 0 CA-C-O 118.261 -0.876 . . . . 74.34 110.922 176.277 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 105' ' ' LEU . . . . . 0.403 HD23 ' HD2' ' B' ' 102' ' ' PHE . 0.3 OUTLIER -59.28 -43.31 92.56 Favored 'General case' 0 C--N 1.374 1.633 0 N-CA-C 108.167 -1.049 . . . . 75.42 108.167 -177.861 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 106' ' ' TYR . . . . . 0.562 ' CD1' HD11 ' A' ' 9' ' ' ILE . 41.7 t80 -56.5 -56.05 26.11 Favored 'General case' 0 C--N 1.363 1.176 0 O-C-N 124.744 1.277 . . . . 74.11 109.428 177.542 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -63.49 -37.65 88.11 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.106 0.962 . . . . 63.01 113.147 -172.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 108' ' ' GLN . . . . . 0.443 ' HG2' ' O ' ' B' ' 104' ' ' LYS . 9.6 mm-40 -70.31 -55.76 8.39 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 122.355 0.262 . . . . 53.25 111.272 -176.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 28.4 mt -61.19 -38.65 80.2 Favored 'Isoleucine or valine' 0 C--N 1.363 1.172 0 O-C-N 123.613 0.571 . . . . 75.31 110.125 178.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 110' ' ' LEU . . . . . 0.471 ' HA ' ' HB3' ' B' ' 113' ' ' ASN . 2.1 tm? -71.82 -31.18 66.28 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 123.985 0.914 . . . . 74.52 110.612 -178.394 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -62.33 -46.37 89.03 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 110.079 -0.341 . . . . 73.21 110.079 174.114 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 112' ' ' GLU . . . . . 0.434 ' O ' ' HG ' ' B' ' 116' ' ' LEU . 3.1 tp10 -66.99 -42.37 85.18 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-N 115.63 -0.714 . . . . 75.45 110.513 176.554 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 113' ' ' ASN . . . . . 0.471 ' HB3' ' HA ' ' B' ' 110' ' ' LEU . 26.0 t-20 -63.09 -45.77 90.52 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 125.328 1.451 . . . . 65.45 111.302 -176.014 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -55.19 -49.39 72.05 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.934 1.293 . . . . 73.11 110.304 171.339 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 17.4 ttpt -62.17 -36.87 83.2 Favored 'General case' 0 C--N 1.349 0.558 0 CA-C-N 115.16 -0.927 . . . . 72.44 110.454 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 116' ' ' LEU . . . . . 0.504 ' HB3' ' HB3' ' A' ' 16' ' ' LEU . 81.4 mt -71.85 -24.11 61.64 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 123.678 0.611 . . . . 72.34 111.241 -176.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 117' ' ' LYS . . . . . 0.708 ' HA ' HD23 ' B' ' 120' ' ' LEU . 45.6 mtmt -82.06 -29.44 31.87 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 122.612 0.365 . . . . 73.21 111.276 173.23 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -72.53 -45.27 60.1 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.178 0.591 . . . . 61.44 110.504 177.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 119' ' ' GLN . . . . . 0.421 ' HG3' ' HA ' ' B' ' 116' ' ' LEU . 5.1 pp0? -73.56 -37.55 65.49 Favored 'General case' 0 C--N 1.345 0.406 0 CA-C-N 115.471 -0.786 . . . . 72.51 110.915 -177.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 120' ' ' LEU . . . . . 0.708 HD23 ' HA ' ' B' ' 117' ' ' LYS . 0.4 OUTLIER -63.1 -40.45 97.68 Favored 'General case' 0 C--N 1.369 1.451 0 N-CA-C 108.883 -0.784 . . . . 74.33 108.883 177.624 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 121' ' ' HIS . . . . . 0.503 ' O ' ' HG2' ' B' ' 125' ' ' MET . 33.4 t-80 -58.09 -45.48 87.12 Favored 'General case' 0 C--N 1.358 0.963 0 O-C-N 124.207 0.942 . . . . 71.02 110.034 178.305 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -60.18 -48.67 80.76 Favored 'General case' 0 CA--C 1.548 0.873 0 O-C-N 124.352 1.033 . . . . 73.44 110.884 177.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 123' ' ' THR . . . . . 0.579 HG22 HG22 ' A' ' 23' ' ' THR . 8.0 m -66.45 -29.56 69.72 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 124.385 1.074 . . . . 53.52 111.089 -178.625 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 124' ' ' ASN . . . . . 0.52 ' ND2' HG21 ' A' ' 23' ' ' THR . 1.0 OUTLIER -74.33 -35.4 63.62 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.303 0.641 . . . . 72.32 110.545 177.42 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 125' ' ' MET . . . . . 0.503 ' HG2' ' O ' ' B' ' 121' ' ' HIS . 93.3 mmm -64.36 -37.74 88.58 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 122.789 0.435 . . . . 62.44 110.704 174.25 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -66.37 -44.5 82.97 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 116.003 -0.544 . . . . 70.32 110.322 175.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 46.3 tp -60.23 -38.99 85.11 Favored 'General case' 0 CA--C 1.555 1.167 0 C-N-CA 123.614 0.765 . . . . 71.12 110.703 177.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 128' ' ' THR . . . . . . . . . . . . . 91.2 m -63.41 -37.81 88.71 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 124.253 1.021 . . . . 74.12 110.519 175.277 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 129' ' ' ASP . . . . . 0.422 ' O ' ' HG3' ' B' ' 133' ' ' GLN . 9.1 t70 -63.71 -45.06 91.69 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.649 0.78 . . . . 74.31 110.89 177.397 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 130' ' ' LEU . . . . . 0.518 ' HB3' ' HB3' ' A' ' 30' ' ' LEU . 1.5 mm? -63.69 -45.89 87.98 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 111.807 0.299 . . . . 62.14 111.807 -177.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.8 -30.79 70.3 Favored 'General case' 0 N--CA 1.483 1.177 0 O-C-N 123.351 0.407 . . . . 72.34 110.264 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 51.5 tp -72.09 -38.28 69.41 Favored 'General case' 0 C--N 1.357 0.911 0 C-N-CA 123.082 0.553 . . . . 75.45 110.187 178.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 133' ' ' GLN . . . . . 0.422 ' HG3' ' O ' ' B' ' 129' ' ' ASP . 40.0 mt-30 -74.71 -21.55 59.32 Favored 'General case' 0 C--O 1.215 -0.756 0 N-CA-C 110.223 -0.288 . . . . 74.41 110.223 175.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 12.2 tp . . . . . 0 N--CA 1.488 1.451 0 C-N-CA 124.475 1.11 . . . . 62.24 109.056 -178.959 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.549 ' HD3' ' H ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.072 0 N-CA-C 110.309 -0.256 . . . . 64.35 110.309 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.549 ' H ' ' HD3' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -78.97 -24.94 43.5 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-O 118.966 -0.54 . . . . 71.41 110.363 177.155 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 17.7 tp -58.31 -46.89 85.3 Favored 'General case' 0 N--CA 1.485 1.286 0 CA-C-O 121.472 0.653 . . . . 64.2 109.518 174.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -55.79 -53.57 55.01 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-N 113.657 -1.61 . . . . 74.33 109.922 172.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -58.8 -36.34 74.32 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 113.231 0.826 . . . . 61.22 113.231 -176.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.441 ' HG2' ' O ' ' A' ' 4' ' ' LYS . 8.4 mm-40 -63.65 -66.35 0.55 Allowed 'General case' 0 N--CA 1.482 1.137 0 O-C-N 123.333 0.395 . . . . 71.45 111.412 -177.801 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.565 HD13 ' HB2' ' B' ' 110' ' ' LEU . 16.2 mt -59.37 -42.1 86.43 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.061 0 O-C-N 123.246 0.341 . . . . 73.24 111.109 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.544 ' HA ' ' HB3' ' A' ' 13' ' ' ASN . 0.9 OUTLIER -67.51 -26.91 66.57 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 124.039 0.936 . . . . 73.42 111.191 -176.044 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.29 -47.43 70.63 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-O 120.61 0.243 . . . . 64.35 110.849 175.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.463 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 34.7 tt0 -69.91 -36.16 75.15 Favored 'General case' 0 C--O 1.21 -0.977 0 CA-C-N 115.748 -0.66 . . . . 64.14 109.972 176.687 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.544 ' HB3' ' HA ' ' A' ' 10' ' ' LEU . 20.3 t-20 -63.33 -41.1 98.86 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 124.979 1.312 . . . . 71.14 110.321 -179.284 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -61.07 -48.78 80.12 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 115.042 -0.981 . . . . 72.55 109.617 173.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.4 ttpt -60.33 -41.66 94.03 Favored 'General case' 0 C--O 1.215 -0.761 0 CA-C-N 114.9 -1.046 . . . . 75.22 110.578 -179.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 12' ' ' GLU . 98.3 mt -67.34 -32.92 74.19 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.067 0.947 . . . . 70.2 110.396 -177.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.417 ' HA ' HD23 ' A' ' 20' ' ' LEU . 0.3 OUTLIER -68.9 -33.97 74.64 Favored 'General case' 0 CA--C 1.552 1.052 0 C-N-CA 124.301 1.04 . . . . 75.05 109.703 174.562 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.36 -55.91 5.23 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 116.085 -0.507 . . . . 60.01 110.881 -177.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -63.33 -31.28 72.39 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.572 0.749 . . . . 74.44 111.955 -179.279 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' A' ' 17' ' ' LYS . 0.6 OUTLIER -65.84 -43.58 88.09 Favored 'General case' 0 N--CA 1.483 1.18 0 N-CA-C 109.562 -0.533 . . . . 54.03 109.562 173.213 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 81.3 t60 -55.94 -46.64 78.45 Favored 'General case' 0 C--N 1.363 1.194 0 O-C-N 123.671 0.607 . . . . 51.24 109.476 178.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -59.69 -47.02 87.28 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.448 -0.797 . . . . 74.32 110.992 177.029 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.569 HG22 HG22 ' B' ' 123' ' ' THR . 17.2 m -70.64 -25.75 63.15 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 122.921 0.488 . . . . 62.52 111.619 -176.078 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.558 ' ND2' HG21 ' B' ' 123' ' ' THR . 1.2 m-80 -78.7 -39.24 37.12 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 122.911 0.484 . . . . 72.34 109.944 176.655 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 79.3 mmm -66.48 -44.24 83.23 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.372 0.669 . . . . 63.31 111.4 177.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.5 ' HG2' ' HA ' ' A' ' 23' ' ' THR . 13.2 pt-20 -76.15 -21.61 56.37 Favored 'General case' 0 C--O 1.204 -1.32 0 CA-C-O 118.941 -0.552 . . . . 74.24 110.381 178.69 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.8 tt -68.13 -47.98 66.65 Favored 'General case' 0 N--CA 1.485 1.293 0 N-CA-C 109.075 -0.713 . . . . 74.23 109.075 169.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 86.5 m -59.11 -42.0 89.52 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.125 0.97 . . . . 61.41 109.94 179.016 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -71.11 -42.04 69.78 Favored 'General case' 0 C--O 1.221 -0.439 0 CA-C-N 115.139 -0.937 . . . . 53.43 110.253 178.204 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.613 ' HA ' HE21 ' A' ' 33' ' ' GLN . 0.6 OUTLIER -62.92 -43.08 99.78 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.109 0.564 . . . . 74.44 110.891 -175.361 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.419 ' HD3' ' N ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -73.36 -39.75 64.92 Favored 'General case' 0 C--O 1.244 0.771 0 O-C-N 123.581 0.551 . . . . 72.51 110.896 -179.104 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.419 ' N ' ' HD3' ' A' ' 31' ' ' LYS . 52.1 tp -63.48 -54.11 41.59 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.316 0.646 . . . . 72.4 110.101 -178.539 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.613 HE21 ' HA ' ' A' ' 30' ' ' LEU . 26.9 pt20 -61.8 -44.64 96.47 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 115.796 -0.638 . . . . 75.44 110.244 -179.138 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 13.8 tp . . . . . 0 C--O 1.248 1.006 0 C-N-CA 125.288 1.435 . . . . 73.12 110.841 179.794 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 102' ' ' PHE . . . . . 0.438 ' O ' ' HG ' ' B' ' 105' ' ' LEU . 85.8 m-85 . . . . . 0 CA--C 1.541 0.618 0 CA-C-O 120.849 0.356 . . . . 73.51 110.3 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 103' ' ' LYS . . . . . 0.462 ' O ' ' HG2' ' B' ' 107' ' ' GLU . 0.0 OUTLIER -59.78 -33.44 71.71 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 109.331 -0.618 . . . . 65.14 109.331 176.15 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 104' ' ' LYS . . . . . 0.442 ' O ' ' HG2' ' B' ' 108' ' ' GLN . 0.0 OUTLIER -70.02 -35.73 74.56 Favored 'General case' 0 C--O 1.217 -0.637 0 CA-C-N 114.796 -1.093 . . . . 43.01 110.755 179.231 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 105' ' ' LEU . . . . . 0.438 ' HG ' ' O ' ' B' ' 102' ' ' PHE . 0.5 OUTLIER -61.07 -41.73 97.19 Favored 'General case' 0 C--N 1.371 1.525 0 N-CA-C 108.403 -0.962 . . . . 74.42 108.403 178.252 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 106' ' ' TYR . . . . . 0.518 ' CD1' HD11 ' A' ' 9' ' ' ILE . 36.0 t80 -57.56 -46.54 83.81 Favored 'General case' 0 C--N 1.355 0.819 0 O-C-N 124.447 1.092 . . . . 75.12 110.37 177.05 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 107' ' ' GLU . . . . . 0.462 ' HG2' ' O ' ' B' ' 103' ' ' LYS . 17.4 mm-40 -65.91 -42.98 89.47 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 115.581 -0.736 . . . . 74.24 112.14 -178.571 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 108' ' ' GLN . . . . . 0.442 ' HG2' ' O ' ' B' ' 104' ' ' LYS . 6.8 mm-40 -65.99 -52.81 46.08 Favored 'General case' 0 N--CA 1.48 1.026 0 O-C-N 123.294 0.371 . . . . 64.41 111.275 -174.768 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 11.5 mt -71.08 -38.18 70.39 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 CA-C-N 116.391 -0.368 . . . . 70.42 111.04 -175.281 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 110' ' ' LEU . . . . . 0.565 ' HB2' HD13 ' A' ' 9' ' ' ILE . 17.5 tp -76.48 -25.23 54.08 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 122.459 0.304 . . . . 75.34 111.424 -178.703 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -63.91 -44.0 94.27 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 109.373 -0.602 . . . . 55.21 109.373 167.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 112' ' ' GLU . . . . . 0.406 ' O ' ' HG ' ' B' ' 116' ' ' LEU . 5.0 tp10 -67.37 -38.95 85.58 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 115.179 -0.919 . . . . 51.11 110.364 177.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -66.86 -37.07 83.75 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 124.824 1.25 . . . . 70.11 110.284 -177.101 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -59.77 -53.81 53.64 Favored 'General case' 0 C--N 1.353 0.743 0 CA-C-N 114.907 -1.042 . . . . 72.45 110.03 171.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 20.8 ttpt -56.31 -42.84 78.25 Favored 'General case' 0 C--N 1.35 0.606 0 CA-C-N 115.605 -0.725 . . . . 62.35 110.13 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 116' ' ' LEU . . . . . 0.42 ' HB3' ' HB3' ' A' ' 16' ' ' LEU . 84.4 mt -65.02 -30.09 71.05 Favored 'General case' 0 C--N 1.349 0.57 0 CA-C-N 115.103 -0.953 . . . . 73.32 111.377 -178.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.4 -40.99 73.59 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 123.387 0.675 . . . . 74.4 110.344 178.637 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -76.47 -46.08 28.38 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 115.591 -0.731 . . . . 73.44 111.637 -177.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -65.38 -35.7 81.76 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.116 0.566 . . . . 72.23 110.846 -178.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.75 -46.42 75.45 Favored 'General case' 0 C--N 1.36 1.045 0 N-CA-C 109.255 -0.646 . . . . 73.43 109.255 177.25 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 57.9 t-80 -62.98 -34.47 77.6 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-O 121.21 0.529 . . . . 55.31 110.844 -179.163 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 122' ' ' ASP . . . . . 0.488 ' O ' ' HG2' ' B' ' 126' ' ' GLU . 23.3 t70 -65.85 -50.16 65.58 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 114.565 -1.198 . . . . 73.0 109.907 176.314 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 123' ' ' THR . . . . . 0.569 HG22 HG22 ' A' ' 23' ' ' THR . 24.3 m -69.58 -26.42 64.46 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 123.375 0.67 . . . . 63.03 110.995 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 124' ' ' ASN . . . . . 0.47 ' ND2' HG21 ' A' ' 23' ' ' THR . 0.9 OUTLIER -74.14 -36.17 64.14 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.569 0.748 . . . . 64.34 110.059 178.509 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 125' ' ' MET . . . . . . . . . . . . . 24.7 ptt? -81.06 -24.7 37.64 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 122.079 0.151 . . . . 72.32 110.658 179.424 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 126' ' ' GLU . . . . . 0.488 ' HG2' ' O ' ' B' ' 122' ' ' ASP . 19.5 mm-40 -69.02 -41.8 77.23 Favored 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 109.22 -0.659 . . . . 52.25 109.22 170.323 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 127' ' ' LEU . . . . . 0.439 HD13 ' HG3' ' A' ' 26' ' ' GLU . 57.9 tp -59.17 -43.45 92.15 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 114.92 -1.036 . . . . 55.32 110.577 173.065 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 128' ' ' THR . . . . . . . . . . . . . 91.4 m -63.9 -37.79 88.7 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.899 0.879 . . . . 75.33 110.694 177.086 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -63.26 -42.87 99.22 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.644 1.178 . . . . 61.24 110.459 177.233 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 130' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' B' ' 126' ' ' GLU . 96.8 mt -75.06 -36.39 61.81 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 115.517 -0.765 . . . . 54.04 111.837 -175.412 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.55 -27.32 55.87 Favored 'General case' 0 N--CA 1.487 1.412 0 CA-C-N 117.857 0.299 . . . . 70.42 111.175 179.538 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 58.1 tp -63.98 -49.26 73.19 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 108.962 -0.755 . . . . 65.11 108.962 170.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 133' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -65.12 -30.6 71.55 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-N 115.314 -0.857 . . . . 73.5 111.003 175.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 19.5 tp . . . . . 0 N--CA 1.485 1.305 0 C-N-CA 124.124 0.969 . . . . 64.43 110.153 -176.452 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.472 ' HD3' ' H ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.884 0 CA-C-O 121.275 0.56 . . . . 74.2 109.719 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.472 ' H ' ' HD3' ' A' ' 3' ' ' LYS . 0.1 OUTLIER -83.95 -27.59 28.4 Favored 'General case' 0 C--O 1.211 -0.95 0 CA-C-N 115.126 -0.943 . . . . 61.31 109.082 -178.121 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 19.4 tp -56.03 -46.14 78.95 Favored 'General case' 0 N--CA 1.488 1.446 0 CA-C-O 121.649 0.738 . . . . 70.4 109.794 176.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 22.4 t80 -56.26 -51.34 68.51 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 113.484 -1.689 . . . . 75.52 110.051 172.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -58.71 -36.44 74.27 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.216 1.007 . . . . 75.41 112.858 -178.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.424 ' HG2' ' O ' ' A' ' 4' ' ' LYS . 11.8 mm-40 -65.75 -63.91 0.98 Allowed 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 122.803 0.441 . . . . 63.41 111.593 -175.38 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.439 HD11 ' CD2' ' B' ' 106' ' ' TYR . 19.8 mt -63.44 -40.5 89.27 Favored 'Isoleucine or valine' 0 C--N 1.362 1.111 0 O-C-N 123.208 0.318 . . . . 72.51 110.95 179.72 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.16 -29.9 69.73 Favored 'General case' 0 N--CA 1.496 1.838 0 C-N-CA 123.078 0.551 . . . . 72.22 110.623 -177.021 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.78 -48.82 80.09 Favored 'General case' 0 N--CA 1.482 1.139 0 N-CA-C 109.194 -0.669 . . . . 75.33 109.194 174.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.535 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 5.0 tp10 -65.52 -39.94 92.39 Favored 'General case' 0 CA--C 1.55 0.972 0 CA-C-N 114.691 -1.14 . . . . 62.34 110.975 175.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -68.9 -41.05 78.76 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 124.487 1.115 . . . . 74.21 110.605 -171.055 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -75.3 -30.34 60.33 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 114.916 -1.038 . . . . 70.42 109.17 178.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.9 ttpt -63.54 -41.71 98.45 Favored 'General case' 0 C--N 1.362 1.113 0 N-CA-C 108.485 -0.931 . . . . 73.14 108.485 174.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' A' ' 12' ' ' GLU . 95.0 mt -67.16 -30.64 70.66 Favored 'General case' 0 C--N 1.362 1.113 0 C-N-CA 124.213 1.005 . . . . 71.44 111.009 179.71 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.408 ' HA ' HD23 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -67.38 -38.54 84.9 Favored 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 123.45 0.7 . . . . 72.15 110.43 173.558 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.41 -46.46 40.06 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 115.351 -0.841 . . . . 72.02 111.551 -175.041 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -74.28 -28.16 61.07 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.76 0.824 . . . . 74.33 112.1 -179.107 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.444 ' HB3' HE22 ' B' ' 119' ' ' GLN . 1.1 pp -66.22 -44.96 82.31 Favored 'General case' 0 N--CA 1.484 1.263 0 N-CA-C 108.292 -1.003 . . . . 63.12 108.292 173.556 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -60.51 -42.14 95.79 Favored 'General case' 0 C--N 1.352 0.686 0 O-C-N 123.817 0.698 . . . . 70.11 110.45 -179.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -59.16 -53.37 59.05 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.886 0.874 . . . . 73.01 110.502 176.476 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.532 HG21 ' ND2' ' B' ' 124' ' ' ASN . 24.8 m -69.59 -30.39 68.15 Favored 'General case' 0 CA--C 1.55 0.947 0 O-C-N 123.969 0.793 . . . . 73.22 111.403 -175.625 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.48 ' ND2' HG21 ' B' ' 123' ' ' THR . 1.1 m-80 -70.27 -51.51 29.98 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.002 0.521 . . . . 73.42 109.767 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 25.8 mmt -70.11 -40.97 74.59 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 115.817 -0.629 . . . . 71.51 112.144 -175.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.465 ' HG2' ' HA ' ' A' ' 23' ' ' THR . 1.5 pt-20 -66.6 -35.21 79.66 Favored 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 110.184 -0.302 . . . . 72.22 110.184 178.435 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.74 HD11 ' HB2' ' B' ' 126' ' ' GLU . 8.5 tt -60.8 -47.76 84.88 Favored 'General case' 0 C--N 1.362 1.118 0 O-C-N 123.972 0.795 . . . . 74.01 109.634 172.629 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 81.1 m -55.68 -47.41 76.79 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 123.994 0.918 . . . . 73.04 111.017 -177.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -61.79 -49.18 77.36 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 124.305 1.042 . . . . 74.3 110.833 176.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.748 ' HA ' HE21 ' A' ' 33' ' ' GLN . 16.9 tp -70.13 -36.2 74.63 Favored 'General case' 0 CA--C 1.555 1.149 0 CA-C-N 114.724 -1.125 . . . . 74.45 110.828 -170.217 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.9 -29.89 39.99 Favored 'General case' 0 N--CA 1.494 1.736 0 C-N-CA 123.202 0.601 . . . . 74.4 111.134 -179.05 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.3 tp -56.53 -63.03 1.33 Allowed 'General case' 0 C--N 1.347 0.489 0 O-C-N 124.258 0.973 . . . . 72.33 109.305 175.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.748 HE21 ' HA ' ' A' ' 30' ' ' LEU . 27.5 pt20 -64.36 -32.23 73.76 Favored 'General case' 0 CA--C 1.55 0.974 0 CA-C-N 115.55 -0.75 . . . . 64.12 111.55 -178.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.438 HD12 HD13 ' B' ' 130' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.494 1.765 0 C-N-CA 124.086 0.954 . . . . 74.32 109.695 178.154 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 102' ' ' PHE . . . . . 0.48 ' HD2' HD23 ' B' ' 105' ' ' LEU . 88.6 m-85 . . . . . 0 N--CA 1.485 1.316 0 N-CA-C 113.489 0.922 . . . . 71.43 113.489 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 103' ' ' LYS . . . . . 0.441 ' HD3' ' N ' ' B' ' 104' ' ' LYS . 0.0 OUTLIER -60.33 -32.12 70.94 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-O 121.379 0.609 . . . . 70.53 109.807 176.551 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 104' ' ' LYS . . . . . 0.441 ' N ' ' HD3' ' B' ' 103' ' ' LYS . 0.0 OUTLIER -71.86 -36.21 70.07 Favored 'General case' 0 C--O 1.214 -0.795 0 CA-C-N 114.583 -1.19 . . . . 52.23 110.611 179.764 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 105' ' ' LEU . . . . . 0.48 HD23 ' HD2' ' B' ' 102' ' ' PHE . 0.4 OUTLIER -60.34 -43.52 96.37 Favored 'General case' 0 C--N 1.375 1.691 0 N-CA-C 107.873 -1.158 . . . . 73.13 107.873 179.87 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 106' ' ' TYR . . . . . 0.439 ' CD2' HD11 ' A' ' 9' ' ' ILE . 29.6 t80 -57.5 -47.58 81.54 Favored 'General case' 0 C--N 1.358 0.943 0 CA-C-N 114.757 -1.11 . . . . 62.54 109.836 176.728 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 107' ' ' GLU . . . . . 0.409 ' HG2' ' O ' ' B' ' 103' ' ' LYS . 52.6 mm-40 -64.28 -42.87 96.21 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.814 0.845 . . . . 71.54 113.039 -178.184 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 108' ' ' GLN . . . . . 0.431 ' HG2' ' O ' ' B' ' 104' ' ' LYS . 11.5 mm-40 -69.15 -52.3 29.51 Favored 'General case' 0 N--CA 1.484 1.227 0 O-C-N 123.209 0.318 . . . . 73.25 110.788 -172.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . 0.404 HG22 HG22 ' A' ' 9' ' ' ILE . 23.6 mt -67.55 -35.01 71.79 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.012 0 O-C-N 123.666 0.604 . . . . 75.34 110.501 -177.396 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -73.26 -32.63 64.81 Favored 'General case' 0 N--CA 1.491 1.623 0 C-N-CA 123.266 0.626 . . . . 73.52 110.384 178.082 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.69 -46.07 83.91 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 122.647 0.379 . . . . 74.21 110.199 174.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 39.8 tp10 -66.38 -36.23 82.34 Favored 'General case' 0 C--O 1.21 -0.999 0 CA-C-N 115.568 -0.742 . . . . 73.52 110.223 175.295 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -61.48 -42.22 98.46 Favored 'General case' 0 N--CA 1.495 1.782 0 C-N-CA 124.574 1.15 . . . . 73.24 111.002 178.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -68.36 -46.01 71.24 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.791 0.836 . . . . 71.44 110.386 176.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 8.4 ttpt -56.87 -40.72 76.69 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-N 115.628 -0.714 . . . . 72.2 110.369 176.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 116' ' ' LEU . . . . . 0.413 ' HA ' ' HG3' ' B' ' 119' ' ' GLN . 83.1 mt -69.05 -34.99 76.08 Favored 'General case' 0 C--N 1.35 0.617 0 CA-C-N 114.906 -1.043 . . . . 65.12 110.63 178.18 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.35 -37.54 87.36 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.333 0.653 . . . . 73.24 110.014 178.685 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -76.08 -44.9 36.71 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.183 0.993 . . . . 75.31 111.199 -176.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 119' ' ' GLN . . . . . 0.444 HE22 ' HB3' ' A' ' 20' ' ' LEU . 5.3 pp0? -69.28 -39.26 78.45 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.16 0.584 . . . . 72.4 111.199 -177.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 1.6 pp -69.52 -39.54 77.46 Favored 'General case' 0 C--N 1.358 0.973 0 N-CA-C 108.823 -0.806 . . . . 72.34 108.823 179.581 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 121' ' ' HIS . . . . . 0.541 ' O ' ' HG2' ' B' ' 125' ' ' MET . 15.1 t-80 -55.55 -48.24 75.07 Favored 'General case' 0 C--N 1.357 0.892 0 O-C-N 124.226 0.954 . . . . 72.34 109.731 176.023 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 122' ' ' ASP . . . . . 0.482 ' O ' ' HG3' ' B' ' 126' ' ' GLU . 22.2 t70 -57.16 -49.69 75.17 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 124.238 0.961 . . . . 71.32 110.343 177.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 123' ' ' THR . . . . . 0.506 HG22 HG22 ' A' ' 23' ' ' THR . 13.9 m -60.92 -36.53 79.54 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.52 0.728 . . . . 54.44 111.356 -179.545 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 124' ' ' ASN . . . . . 0.532 ' ND2' HG21 ' A' ' 23' ' ' THR . 0.9 OUTLIER -72.26 -35.07 68.67 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 122.961 0.504 . . . . 70.11 109.994 -179.54 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 125' ' ' MET . . . . . 0.541 ' HG2' ' O ' ' B' ' 121' ' ' HIS . 92.4 mmm -62.92 -45.58 91.85 Favored 'General case' 0 C--N 1.359 0.998 0 C-N-CA 123.048 0.539 . . . . 74.41 110.573 176.131 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 126' ' ' GLU . . . . . 0.74 ' HB2' HD11 ' A' ' 27' ' ' LEU . 9.6 mt-10 -62.67 -43.86 97.72 Favored 'General case' 0 N--CA 1.483 1.191 0 N-CA-C 108.708 -0.849 . . . . 71.21 108.708 178.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 127' ' ' LEU . . . . . 0.506 HD22 HG23 ' A' ' 23' ' ' THR . 37.3 tp -64.88 -27.48 68.89 Favored 'General case' 0 CA--C 1.556 1.187 0 O-C-N 124.321 1.013 . . . . 64.21 111.557 179.195 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 128' ' ' THR . . . . . . . . . . . . . 99.3 m -73.54 -44.76 56.77 Favored 'General case' 0 N--CA 1.495 1.824 0 C-N-CA 123.24 0.616 . . . . 73.25 110.071 176.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 129' ' ' ASP . . . . . 0.41 ' O ' ' HG3' ' B' ' 133' ' ' GLN . 52.9 m-20 -61.14 -45.24 95.46 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.549 0.739 . . . . 71.15 109.699 175.49 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 130' ' ' LEU . . . . . 0.673 HD21 ' HB3' ' A' ' 30' ' ' LEU . 4.8 tp -63.24 -46.05 88.73 Favored 'General case' 0 C--O 1.215 -0.726 0 C-N-CA 125.735 1.614 . . . . 74.52 110.271 -178.092 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 24.0 tptp -51.61 -46.61 63.65 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 125.41 1.484 . . . . 73.45 111.024 174.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 62.9 tp -65.97 -49.68 67.0 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 115.358 -0.837 . . . . 71.34 110.94 178.434 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 133' ' ' GLN . . . . . 0.438 ' HB2' HD11 ' A' ' 34' ' ' LEU . 44.9 mt-30 -68.53 -27.38 66.05 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.492 0.717 . . . . 73.25 111.269 -175.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 1.5 tm? . . . . . 0 N--CA 1.48 1.068 0 C-N-CA 124.116 0.966 . . . . 54.31 108.432 -176.694 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.605 ' HD3' ' H ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.476 0.855 0 CA-C-O 121.804 0.812 . . . . 73.22 109.025 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.605 ' H ' ' HD3' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -85.41 -22.62 28.27 Favored 'General case' 0 C--O 1.211 -0.957 0 CA-C-N 114.727 -1.124 . . . . 73.52 109.086 -178.597 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.432 HD21 ' HB2' ' B' ' 106' ' ' TYR . 33.3 tp -54.54 -44.25 72.66 Favored 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 109.594 -0.521 . . . . 70.01 109.594 172.197 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -55.89 -53.36 57.77 Favored 'General case' 0 C--N 1.356 0.849 0 CA-C-N 114.466 -1.243 . . . . 73.34 109.886 171.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 -53.78 -38.2 64.23 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.921 0.888 . . . . 75.31 112.443 -179.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.44 ' HG2' ' O ' ' A' ' 4' ' ' LYS . 12.3 mm-40 -64.98 -69.69 0.28 Allowed 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.469 0.708 . . . . 74.31 111.811 -174.429 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.576 HD11 ' CD2' ' B' ' 106' ' ' TYR . 17.5 mt -59.28 -41.07 82.94 Favored 'Isoleucine or valine' 0 C--N 1.359 0.988 0 O-C-N 123.713 0.633 . . . . 61.31 111.161 -179.789 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -67.47 -31.69 72.02 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.314 0.646 . . . . 73.33 111.138 -176.359 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.17 -45.34 88.84 Favored 'General case' 0 N--CA 1.483 1.191 0 CA-C-N 118.087 0.403 . . . . 74.02 110.137 174.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.475 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 4.6 tp10 -66.42 -41.73 88.81 Favored 'General case' 0 C--O 1.213 -0.866 0 CA-C-N 115.969 -0.559 . . . . 75.41 110.386 176.384 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -64.31 -42.16 96.47 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 125.393 1.477 . . . . 54.11 110.432 -176.274 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.477 ' HA ' ' HE2' ' A' ' 17' ' ' LYS . 2.9 tt0 -61.0 -49.46 77.34 Favored 'General case' 0 C--O 1.24 0.588 0 C-N-CA 124.823 1.249 . . . . 74.03 109.653 175.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.5 ttpt -56.57 -43.36 79.95 Favored 'General case' 0 C--O 1.217 -0.613 0 O-C-N 124.44 1.088 . . . . 72.03 109.959 177.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' ' 12' ' ' GLU . 94.2 mt -65.3 -29.62 70.39 Favored 'General case' 0 C--N 1.357 0.91 0 C-N-CA 124.027 0.931 . . . . 71.12 111.388 -177.289 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.481 ' HA ' HD23 ' A' ' 20' ' ' LEU . 49.0 mtmt -73.96 -35.13 64.48 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 122.808 0.443 . . . . 75.13 111.038 174.437 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.99 -49.3 46.77 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.05 0.54 . . . . 53.03 110.617 -177.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -70.29 -32.7 70.6 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.515 0.726 . . . . 65.51 112.153 -179.393 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.481 HD23 ' HA ' ' A' ' 17' ' ' LYS . 0.6 OUTLIER -66.19 -41.17 90.61 Favored 'General case' 0 N--CA 1.483 1.203 0 N-CA-C 108.748 -0.834 . . . . 74.05 108.748 173.727 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 14.0 t-80 -60.06 -36.41 77.27 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.928 0.891 . . . . 72.1 110.307 -178.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.41 ' HA ' ' HG2' ' A' ' 25' ' ' MET . 70.9 m-20 -71.45 -45.41 62.7 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 123.811 0.695 . . . . 75.42 111.518 175.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.521 HG21 ' ND2' ' B' ' 124' ' ' ASN . 12.0 m -67.86 -29.64 68.82 Favored 'General case' 0 CA--C 1.545 0.759 0 O-C-N 123.38 0.425 . . . . 73.01 111.282 -178.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.562 ' ND2' HG21 ' B' ' 123' ' ' THR . 1.0 OUTLIER -75.26 -45.21 41.42 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.794 0.838 . . . . 73.01 109.638 179.37 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.41 ' HG2' ' HA ' ' A' ' 22' ' ' ASP . 22.5 ptp -69.06 -36.99 78.28 Favored 'General case' 0 C--N 1.356 0.865 0 O-C-N 123.429 0.456 . . . . 52.32 110.265 -175.429 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.523 ' O ' ' HB2' ' A' ' 30' ' ' LEU . 18.4 pt-20 -78.51 -31.03 47.46 Favored 'General case' 0 C--O 1.203 -1.382 0 O-C-N 123.756 0.66 . . . . 74.13 110.13 -178.597 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 48.8 tp -60.47 -48.33 82.24 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.708 0.803 . . . . 74.23 111.259 171.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 35.5 m -65.53 -41.29 93.24 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.377 0.671 . . . . 73.11 110.602 179.123 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -69.63 -33.42 72.61 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.91 0.884 . . . . 72.31 110.748 178.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.612 ' HA ' HE21 ' A' ' 33' ' ' GLN . 11.9 tp -67.39 -43.23 81.85 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.784 0.834 . . . . 75.01 108.771 179.644 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.441 ' HA ' HD11 ' B' ' 130' ' ' LEU . 0.0 OUTLIER -70.4 -31.07 68.14 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.757 1.223 . . . . 71.31 110.084 -179.535 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 46.3 tp -63.85 -59.38 4.6 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 115.266 -0.879 . . . . 75.12 109.856 -179.016 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.612 HE21 ' HA ' ' A' ' 30' ' ' LEU . 3.7 pp0? -75.52 -19.69 59.19 Favored 'General case' 0 CA--C 1.554 1.117 0 CA-C-N 116.201 -0.454 . . . . 74.24 111.879 179.773 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 25.6 tp . . . . . 0 N--CA 1.486 1.351 0 C-N-CA 123.231 0.612 . . . . 54.41 110.199 170.19 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 102' ' ' PHE . . . . . 0.471 ' HD1' HD23 ' B' ' 105' ' ' LEU . 97.8 m-85 . . . . . 0 CA--C 1.545 0.752 0 N-CA-C 111.731 0.271 . . . . 73.13 111.731 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.87 -34.26 75.68 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 108.861 -0.792 . . . . 74.52 108.861 172.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 104' ' ' LYS . . . . . 0.449 ' O ' ' HG2' ' B' ' 108' ' ' GLN . 0.0 OUTLIER -59.32 -42.63 91.87 Favored 'General case' 0 C--N 1.359 0.985 0 CA-C-N 114.808 -1.087 . . . . 72.42 111.209 172.859 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 105' ' ' LEU . . . . . 0.471 HD23 ' HD1' ' B' ' 102' ' ' PHE . 0.4 OUTLIER -61.99 -41.61 98.23 Favored 'General case' 0 C--N 1.381 1.94 0 N-CA-C 108.728 -0.842 . . . . 73.52 108.728 -176.256 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 106' ' ' TYR . . . . . 0.576 ' CD2' HD11 ' A' ' 9' ' ' ILE . 49.6 t80 -55.12 -49.88 70.64 Favored 'General case' 0 C--N 1.366 1.293 0 O-C-N 124.77 1.293 . . . . 74.44 108.986 177.334 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -63.91 -41.02 97.78 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 113.096 0.776 . . . . 75.42 113.096 -178.41 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 108' ' ' GLN . . . . . 0.449 ' HG2' ' O ' ' B' ' 104' ' ' LYS . 12.9 mm-40 -64.77 -58.23 6.81 Favored 'General case' 0 N--CA 1.483 1.194 0 O-C-N 123.404 0.44 . . . . 75.44 110.607 -174.506 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 15.7 mt -67.63 -38.62 80.75 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.974 0 CA-C-N 115.469 -0.787 . . . . 52.53 110.811 -176.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 110' ' ' LEU . . . . . 0.401 ' HB2' HD13 ' A' ' 9' ' ' ILE . 1.5 tm? -68.87 -33.17 73.35 Favored 'General case' 0 N--CA 1.492 1.633 0 C-N-CA 123.481 0.712 . . . . 71.31 110.747 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.13 -41.75 97.1 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-O 120.973 0.416 . . . . 64.03 109.919 175.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 112' ' ' GLU . . . . . 0.437 ' O ' ' HG ' ' B' ' 116' ' ' LEU . 8.8 tp10 -70.83 -37.91 73.2 Favored 'General case' 0 C--O 1.214 -0.807 0 CA-C-N 115.253 -0.885 . . . . 62.42 110.833 175.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -64.19 -43.58 94.62 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 124.825 1.25 . . . . 73.31 110.177 -177.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -54.28 -54.97 33.01 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.529 1.531 . . . . 73.43 109.955 172.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 20.4 ttpt -57.85 -39.31 77.4 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 114.257 -1.338 . . . . 61.21 110.339 -179.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 116' ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' B' ' 112' ' ' GLU . 69.9 mt -68.04 -30.59 69.85 Favored 'General case' 0 C--N 1.355 0.829 0 O-C-N 123.961 0.788 . . . . 71.14 111.636 -177.378 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -72.67 -37.37 67.93 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 120.787 0.327 . . . . 72.15 110.701 175.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -74.3 -39.98 62.55 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 116.033 -0.531 . . . . 43.12 111.314 -177.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 119' ' ' GLN . . . . . 0.423 ' HG3' ' HA ' ' B' ' 116' ' ' LEU . 5.2 pp0? -74.38 -35.58 63.52 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.231 0.612 . . . . 62.23 110.928 -177.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 1.4 pp -67.42 -42.22 83.56 Favored 'General case' 0 C--N 1.362 1.135 0 N-CA-C 109.387 -0.597 . . . . 75.55 109.387 178.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -58.92 -47.73 83.98 Favored 'General case' 0 C--N 1.36 1.039 0 O-C-N 123.671 0.607 . . . . 74.1 109.523 175.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 122' ' ' ASP . . . . . 0.44 ' O ' ' HG2' ' B' ' 126' ' ' GLU . 26.1 t70 -58.13 -42.01 84.91 Favored 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 125.115 1.366 . . . . 74.02 111.869 178.762 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 123' ' ' THR . . . . . 0.562 HG21 ' ND2' ' A' ' 24' ' ' ASN . 81.7 m -73.43 -33.75 65.09 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.824 0.85 . . . . 74.22 110.791 -179.576 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 124' ' ' ASN . . . . . 0.521 ' ND2' HG21 ' A' ' 23' ' ' THR . 9.2 m-80 -73.54 -25.43 60.4 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.491 0.716 . . . . 65.12 110.427 175.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 125' ' ' MET . . . . . . . . . . . . . 7.8 mmt -70.7 -43.1 69.7 Favored 'General case' 0 C--N 1.352 0.677 0 C-N-CA 122.962 0.505 . . . . 64.04 109.881 170.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 126' ' ' GLU . . . . . 0.44 ' HG2' ' O ' ' B' ' 122' ' ' ASP . 50.6 mm-40 -59.43 -39.72 84.42 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.029 0.532 . . . . 72.43 110.288 173.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 127' ' ' LEU . . . . . 0.506 HD22 HG23 ' A' ' 23' ' ' THR . 40.7 tp -68.12 -41.39 81.79 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 124.658 1.183 . . . . 61.4 111.038 -178.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 128' ' ' THR . . . . . . . . . . . . . 90.5 m -66.63 -40.72 88.88 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.735 0.814 . . . . 64.52 110.184 176.272 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 129' ' ' ASP . . . . . 0.453 ' O ' ' HB3' ' B' ' 132' ' ' LEU . 15.0 t70 -65.98 -38.41 88.45 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 114.421 -1.263 . . . . 74.13 109.71 178.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 130' ' ' LEU . . . . . 0.556 ' HB3' HD23 ' A' ' 30' ' ' LEU . 0.4 OUTLIER -71.63 -47.12 56.6 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.38 0.672 . . . . 63.23 109.754 -176.214 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 131' ' ' LYS . . . . . 0.421 ' HA ' ' HB2' ' B' ' 134' ' ' LEU . 0.2 OUTLIER -67.64 -19.0 65.15 Favored 'General case' 0 C--N 1.357 0.925 0 O-C-N 123.431 0.457 . . . . 73.31 110.187 179.933 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 132' ' ' LEU . . . . . 0.453 ' HB3' ' O ' ' B' ' 129' ' ' ASP . 40.9 tp -68.02 -48.11 66.6 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.226 0.611 . . . . 73.15 110.695 169.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 133' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -64.33 -27.77 69.25 Favored 'General case' 0 N--CA 1.488 1.46 0 CA-C-N 118.308 0.504 . . . . 60.25 110.886 172.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 134' ' ' LEU . . . . . 0.421 ' HB2' ' HA ' ' B' ' 131' ' ' LYS . 7.5 tp . . . . . 0 N--CA 1.479 1.01 0 C-N-CA 123.974 0.91 . . . . 64.03 110.196 -177.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.474 0.752 0 N-CA-C 109.496 -0.557 . . . . 71.25 109.496 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.472 ' O ' ' HG2' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -74.15 -31.3 62.66 Favored 'General case' 0 C--O 1.204 -1.299 0 CA-C-O 119.14 -0.457 . . . . 74.03 109.793 -176.749 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 17.8 tp -52.32 -50.89 61.36 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-O 121.654 0.74 . . . . 72.3 110.392 174.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -59.57 -44.41 93.31 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 113.546 -1.661 . . . . 61.34 110.383 175.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -65.96 -36.2 82.68 Favored 'General case' 0 C--O 1.214 -0.771 0 C-N-CA 123.856 0.862 . . . . 64.42 112.795 -177.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.472 ' HG2' ' O ' ' A' ' 4' ' ' LYS . 8.7 mm-40 -65.62 -62.05 1.74 Allowed 'General case' 0 N--CA 1.487 1.401 0 CA-C-N 118.198 0.454 . . . . 72.23 110.664 -174.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.537 HD13 ' HB2' ' B' ' 110' ' ' LEU . 19.1 mt -65.23 -40.04 87.4 Favored 'Isoleucine or valine' 0 C--N 1.354 0.79 0 O-C-N 123.693 0.62 . . . . 72.33 111.504 -178.368 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 19.0 tp -73.19 -28.35 62.14 Favored 'General case' 0 N--CA 1.484 1.263 0 N-CA-C 112.26 0.467 . . . . 74.54 112.26 -176.495 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.43 -42.38 92.52 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 109.297 -0.631 . . . . 74.22 109.297 172.633 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.479 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 4.6 tp10 -67.69 -39.92 84.39 Favored 'General case' 0 C--O 1.211 -0.963 0 CA-C-N 115.265 -0.879 . . . . 63.23 109.785 176.745 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -62.27 -44.61 96.13 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 125.21 1.404 . . . . 74.14 110.546 -177.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -58.21 -50.23 74.29 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.37 1.068 . . . . 65.32 110.156 174.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.2 ttpt -59.82 -42.57 93.82 Favored 'General case' 0 C--O 1.217 -0.619 0 CA-C-N 114.992 -1.004 . . . . 63.33 110.455 -179.559 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 12' ' ' GLU . 87.5 mt -65.64 -33.36 75.7 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.837 0.855 . . . . 71.32 110.532 -179.428 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.436 ' HA ' HD23 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -70.32 -33.22 71.26 Favored 'General case' 0 CA--C 1.55 0.942 0 C-N-CA 123.925 0.89 . . . . 74.34 110.141 176.325 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.48 -48.51 16.92 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.403 0.681 . . . . 72.01 111.097 -176.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.44 -32.91 72.16 Favored 'General case' 0 C--N 1.346 0.421 0 C-N-CA 123.414 0.685 . . . . 71.02 111.475 -178.612 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' A' ' 17' ' ' LYS . 0.7 OUTLIER -66.93 -44.99 79.23 Favored 'General case' 0 C--O 1.21 -0.979 0 N-CA-C 108.416 -0.957 . . . . 71.3 108.416 175.051 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 40.4 t-80 -53.85 -45.15 70.84 Favored 'General case' 0 C--N 1.359 0.996 0 O-C-N 124.246 0.966 . . . . 75.33 109.648 -179.191 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -63.66 -49.11 74.48 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 114.841 -1.072 . . . . 73.42 111.603 178.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.52 HG21 ' ND2' ' B' ' 124' ' ' ASN . 7.8 m -67.21 -30.21 70.08 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 122.883 0.473 . . . . 73.52 111.104 -178.264 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.539 ' ND2' HG21 ' B' ' 123' ' ' THR . 1.0 OUTLIER -75.18 -46.28 35.16 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.921 0.888 . . . . 64.31 109.714 -178.606 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 10.7 mmt -62.76 -48.55 78.67 Favored 'General case' 0 C--N 1.35 0.601 0 O-C-N 123.965 0.79 . . . . 61.31 110.884 179.456 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.514 ' O ' ' HB2' ' A' ' 30' ' ' LEU . 12.0 pt-20 -65.73 -35.84 81.88 Favored 'General case' 0 C--O 1.205 -1.265 0 CA-C-O 118.888 -0.577 . . . . 74.03 110.6 -179.034 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.659 HD11 ' HB2' ' B' ' 126' ' ' GLU . 7.1 tt -58.47 -42.63 87.94 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.867 0.867 . . . . 64.04 110.444 174.423 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.444 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 68.7 m -69.78 -43.87 71.28 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 123.572 0.749 . . . . 70.24 111.147 -177.679 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.52 -36.56 84.2 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 115.67 -0.695 . . . . 75.11 110.274 175.403 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.514 ' HB2' ' O ' ' A' ' 26' ' ' GLU . 9.4 tp -73.57 -39.85 64.36 Favored 'General case' 0 C--N 1.349 0.559 0 C-N-CA 123.576 0.75 . . . . 52.33 110.029 -175.254 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.444 ' HG3' ' O ' ' A' ' 28' ' ' THR . 0.1 OUTLIER -69.79 -33.38 72.3 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 109.133 -0.692 . . . . 72.15 109.133 -179.882 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 39.5 tp -64.88 -52.73 54.97 Favored 'General case' 0 C--N 1.35 0.593 0 CA-C-N 115.373 -0.83 . . . . 73.45 110.684 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -70.18 -30.79 68.0 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-O 119.846 -0.121 . . . . 51.53 111.313 178.579 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.528 HD13 HD23 ' B' ' 134' ' ' LEU . 17.3 tp . . . . . 0 N--CA 1.481 1.118 0 C-N-CA 123.174 0.59 . . . . 50.52 110.234 176.215 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 102' ' ' PHE . . . . . 0.483 ' O ' ' HG ' ' B' ' 105' ' ' LEU . 98.0 m-85 . . . . . 0 N--CA 1.476 0.827 0 CA-C-O 120.425 0.155 . . . . 72.52 111.398 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.82 -32.76 72.11 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 108.955 -0.757 . . . . 71.0 108.955 174.504 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 104' ' ' LYS . . . . . 0.469 ' O ' ' HG2' ' B' ' 108' ' ' GLN . 0.0 OUTLIER -68.43 -35.87 78.23 Favored 'General case' 0 C--N 1.355 0.831 0 CA-C-N 114.634 -1.166 . . . . 71.01 111.319 177.147 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 105' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' B' ' 102' ' ' PHE . 0.8 OUTLIER -61.2 -43.02 99.54 Favored 'General case' 0 C--N 1.376 1.759 0 N-CA-C 108.298 -1.001 . . . . 74.45 108.298 179.229 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 106' ' ' TYR . . . . . 0.477 ' CD1' HD11 ' A' ' 9' ' ' ILE . 35.6 t80 -56.04 -45.78 79.09 Favored 'General case' 0 C--N 1.362 1.135 0 O-C-N 124.657 1.223 . . . . 72.44 109.552 177.219 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -65.78 -45.89 80.78 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.528 0.731 . . . . 42.34 112.585 -179.559 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 108' ' ' GLN . . . . . 0.469 ' HG2' ' O ' ' B' ' 104' ' ' LYS . 13.6 mm-40 -65.97 -52.16 52.1 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 122.701 0.4 . . . . 75.4 111.047 -171.813 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . 0.417 HG22 HG22 ' A' ' 9' ' ' ILE . 20.6 mt -69.49 -38.9 77.87 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 O-C-N 123.827 0.705 . . . . 73.32 110.319 -177.308 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 110' ' ' LEU . . . . . 0.537 ' HB2' HD13 ' A' ' 9' ' ' ILE . 22.4 tp -70.57 -32.76 70.29 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 122.608 0.363 . . . . 65.32 111.637 -178.447 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.66 -44.2 91.15 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 109.942 -0.392 . . . . 70.14 109.942 175.093 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 112' ' ' GLU . . . . . 0.482 ' O ' ' HG ' ' B' ' 116' ' ' LEU . 9.0 tp10 -65.13 -38.0 89.23 Favored 'General case' 0 C--O 1.211 -0.931 0 CA-C-N 115.224 -0.898 . . . . 55.31 110.17 173.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -65.84 -39.14 90.5 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 124.821 1.249 . . . . 70.13 110.754 -176.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.65 -35.03 67.67 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.854 0.862 . . . . 73.34 109.346 178.466 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 6.0 ttpt -65.77 -41.34 92.18 Favored 'General case' 0 C--N 1.35 0.614 0 CA-C-N 115.291 -0.868 . . . . 71.12 108.932 177.33 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 116' ' ' LEU . . . . . 0.482 ' HG ' ' O ' ' B' ' 112' ' ' GLU . 96.7 mt -66.49 -33.63 76.12 Favored 'General case' 0 C--N 1.352 0.698 0 O-C-N 124.374 1.046 . . . . 73.41 110.316 177.184 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.59 -42.62 91.49 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 123.77 0.828 . . . . 64.55 109.656 178.575 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -74.28 -46.13 43.26 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 114.873 -1.058 . . . . 65.22 111.069 -174.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 119' ' ' GLN . . . . . 0.413 HE22 ' CB ' ' A' ' 20' ' ' LEU . 5.4 pp0? -67.17 -37.03 83.04 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 115.983 -0.553 . . . . 62.21 111.07 -177.269 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 2.9 pp -68.14 -40.07 82.53 Favored 'General case' 0 C--N 1.365 1.27 0 N-CA-C 109.867 -0.42 . . . . 64.44 109.867 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 50.7 t-80 -57.45 -44.8 85.05 Favored 'General case' 0 C--N 1.354 0.769 0 O-C-N 124.113 0.883 . . . . 64.3 109.601 174.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 122' ' ' ASP . . . . . 0.4 ' O ' ' HG3' ' B' ' 126' ' ' GLU . 16.9 t70 -68.65 -36.0 77.99 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 114.95 -1.023 . . . . 75.22 111.063 -179.269 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 123' ' ' THR . . . . . 0.539 HG21 ' ND2' ' A' ' 24' ' ' ASN . 33.4 m -69.99 -37.47 75.73 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.21 0.604 . . . . 62.21 109.846 179.733 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 124' ' ' ASN . . . . . 0.52 ' ND2' HG21 ' A' ' 23' ' ' THR . 1.2 m-80 -68.82 -31.12 69.87 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 115.633 -0.712 . . . . 65.51 110.078 176.396 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 125' ' ' MET . . . . . . . . . . . . . 1.7 mmt -66.22 -41.08 90.61 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 122.901 0.481 . . . . 62.2 111.263 175.118 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 126' ' ' GLU . . . . . 0.659 ' HB2' HD11 ' A' ' 27' ' ' LEU . 10.9 mt-10 -71.39 -33.29 69.37 Favored 'General case' 0 N--CA 1.476 0.87 0 O-C-N 123.342 0.401 . . . . 75.11 109.994 177.081 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 127' ' ' LEU . . . . . 0.46 HD22 HG23 ' A' ' 23' ' ' THR . 53.6 tp -69.48 -35.38 75.53 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.832 0.853 . . . . 72.03 110.619 178.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 128' ' ' THR . . . . . . . . . . . . . 87.1 m -74.71 -36.23 62.71 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.649 0.78 . . . . 73.43 110.064 176.611 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -66.13 -39.57 89.97 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 114.563 -1.199 . . . . 72.23 110.022 175.269 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 130' ' ' LEU . . . . . 0.424 ' HB2' ' O ' ' B' ' 126' ' ' GLU . 0.2 OUTLIER -68.23 -46.71 69.79 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.932 0.893 . . . . 71.15 108.957 -179.507 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 25.8 tptp -56.53 -36.3 69.06 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.437 1.495 . . . . 74.35 111.014 174.526 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 35.5 tp -70.08 -43.04 71.96 Favored 'General case' 0 CA--C 1.543 0.705 0 O-C-N 123.532 0.52 . . . . 70.54 109.988 176.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 133' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -64.2 -28.73 69.95 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 115.97 -0.559 . . . . 53.05 110.738 177.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 134' ' ' LEU . . . . . 0.528 HD23 HD13 ' A' ' 34' ' ' LEU . 32.8 mt . . . . . 0 N--CA 1.483 1.194 0 C-N-CA 122.991 0.517 . . . . 73.21 110.83 176.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.476 0.839 0 N-CA-C 110.229 -0.286 . . . . 73.4 110.229 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.459 ' O ' ' HG2' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -73.86 -31.84 63.35 Favored 'General case' 0 C--N 1.361 1.083 0 N-CA-C 108.982 -0.747 . . . . 72.32 108.982 179.568 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 36.8 tp -53.43 -47.08 69.95 Favored 'General case' 0 C--N 1.366 1.291 0 O-C-N 124.031 0.832 . . . . 72.32 110.389 176.382 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.471 ' HA ' HD13 ' B' ' 105' ' ' LEU . 36.1 t80 -53.84 -45.92 71.06 Favored 'General case' 0 C--N 1.356 0.857 0 O-C-N 124.521 1.138 . . . . 73.14 110.6 176.133 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -70.5 -36.56 73.87 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 115.247 -0.888 . . . . 63.21 113.317 -178.385 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.459 ' HG2' ' O ' ' A' ' 4' ' ' LYS . 11.4 mm-40 -67.33 -59.13 3.66 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 122.86 0.464 . . . . 64.4 111.362 -174.545 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.434 HD11 ' CD2' ' B' ' 106' ' ' TYR . 3.8 mt -55.21 -47.23 77.8 Favored 'Isoleucine or valine' 0 C--N 1.354 0.797 0 O-C-N 123.981 0.8 . . . . 75.33 110.78 177.146 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 19.1 tp -70.06 -29.05 65.96 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.006 0.922 . . . . 65.44 112.47 -173.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.15 -46.03 78.89 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 109.34 -0.615 . . . . 73.51 109.34 172.232 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.445 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 42.8 mm-40 -67.16 -28.48 68.15 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.351 0.661 . . . . 75.43 111.621 174.485 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.504 HD21 ' HB3' ' B' ' 112' ' ' GLU . 15.4 t-20 -72.29 -48.23 43.94 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.391 0.677 . . . . 64.23 109.542 -177.232 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -65.47 -33.34 75.71 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-N 115.551 -0.75 . . . . 73.3 109.288 177.082 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.2 ttpt -66.81 -43.94 82.48 Favored 'General case' 0 C--N 1.356 0.872 0 CA-C-N 115.074 -0.966 . . . . 74.54 109.171 -178.449 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 12' ' ' GLU . 91.9 mt -68.53 -26.97 65.69 Favored 'General case' 0 C--N 1.358 0.937 0 C-N-CA 123.662 0.785 . . . . 75.24 111.093 179.353 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.449 ' HA ' HD23 ' A' ' 20' ' ' LEU . 55.0 mtmt -77.58 -27.01 51.25 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 122.726 0.411 . . . . 63.44 111.356 173.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.48 ' O ' ' HB3' ' A' ' 21' ' ' HIS . . . -74.53 -55.03 6.38 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 123.005 0.522 . . . . 64.31 109.679 178.261 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -64.91 -31.42 72.65 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 123.094 0.558 . . . . 74.12 112.384 -179.768 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.449 HD23 ' HA ' ' A' ' 17' ' ' LYS . 0.7 OUTLIER -65.33 -45.36 84.54 Favored 'General case' 0 C--N 1.367 1.339 0 N-CA-C 109.319 -0.623 . . . . 75.2 109.319 173.13 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.48 ' HB3' ' O ' ' A' ' 18' ' ' ALA . 2.7 t-80 -47.71 -47.07 30.1 Favored 'General case' 0 N--CA 1.491 1.586 0 C-N-CA 124.132 0.973 . . . . 73.33 110.905 177.173 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -66.19 -49.6 66.77 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 115.16 -0.927 . . . . 72.13 111.398 178.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.615 HG22 HG22 ' B' ' 123' ' ' THR . 7.2 m -66.36 -25.82 66.98 Favored 'General case' 0 N--CA 1.481 1.079 0 O-C-N 123.49 0.494 . . . . 73.4 111.493 -177.715 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.562 ' ND2' HG21 ' B' ' 123' ' ' THR . 0.9 OUTLIER -77.71 -48.41 16.76 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.144 0.978 . . . . 44.51 110.557 -179.285 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 27.6 ptm -66.99 -37.12 83.63 Favored 'General case' 0 N--CA 1.476 0.833 0 O-C-N 123.388 0.43 . . . . 75.31 110.514 -178.113 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.436 ' O ' HD23 ' A' ' 30' ' ' LEU . 13.0 pt-20 -79.49 -25.81 41.74 Favored 'General case' 0 C--O 1.212 -0.874 0 CA-C-N 116.179 -0.464 . . . . 61.35 110.396 -179.541 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.2 tt -61.94 -46.62 88.52 Favored 'General case' 0 C--N 1.356 0.876 0 N-CA-C 108.599 -0.889 . . . . 62.24 108.599 170.361 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 25.3 m -64.99 -33.41 75.99 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 123.912 0.885 . . . . 74.15 110.702 -177.015 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.466 ' O ' ' HG3' ' A' ' 33' ' ' GLN . 1.2 m-20 -70.31 -52.56 21.84 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.988 0.915 . . . . 74.43 111.19 175.754 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.637 ' O ' ' HB2' ' A' ' 34' ' ' LEU . 3.6 mm? -52.0 -49.39 63.41 Favored 'General case' 0 C--O 1.199 -1.557 0 O-C-N 124.588 1.18 . . . . 73.23 110.264 177.291 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 45.7 tptt -53.13 -54.6 33.38 Favored 'General case' 0 C--O 1.255 1.377 0 C-N-CA 125.869 1.668 . . . . 72.03 112.195 175.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.1 tt -56.81 -61.45 2.42 Favored 'General case' 0 C--O 1.246 0.916 0 CA-C-N 114.454 -1.248 . . . . 64.41 111.58 -173.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.51 HE22 HD21 ' B' ' 134' ' ' LEU . 1.0 OUTLIER -72.13 -24.16 61.42 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 116.063 -0.517 . . . . 55.43 111.687 -176.667 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.656 ' HG ' HD22 ' B' ' 134' ' ' LEU . 2.4 tt . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 108.225 -1.028 . . . . 74.25 108.225 177.326 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 102' ' ' PHE . . . . . 0.431 ' O ' ' HG ' ' B' ' 105' ' ' LEU . 96.7 m-85 . . . . . 0 CA--C 1.542 0.67 0 CA-C-O 120.547 0.213 . . . . 74.45 110.882 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 103' ' ' LYS . . . . . 0.489 ' HD3' ' N ' ' B' ' 104' ' ' LYS . 0.0 OUTLIER -60.0 -31.32 69.81 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-O 121.817 0.818 . . . . 72.15 109.557 177.567 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 104' ' ' LYS . . . . . 0.497 ' O ' ' HG2' ' B' ' 108' ' ' GLN . 0.0 OUTLIER -74.93 -33.43 61.97 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-N 114.174 -1.375 . . . . 65.14 110.835 -179.884 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 105' ' ' LEU . . . . . 0.471 HD13 ' HA ' ' A' ' 6' ' ' TYR . 0.5 OUTLIER -60.04 -41.4 92.2 Favored 'General case' 0 C--N 1.375 1.704 0 N-CA-C 108.022 -1.103 . . . . 65.14 108.022 177.674 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 106' ' ' TYR . . . . . 0.434 ' CD2' HD11 ' A' ' 9' ' ' ILE . 44.1 t80 -59.16 -51.74 68.71 Favored 'General case' 0 C--N 1.368 1.392 0 O-C-N 124.572 1.17 . . . . 70.24 109.417 177.605 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -59.68 -40.99 89.68 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 113.079 0.77 . . . . 73.21 113.079 -177.091 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 108' ' ' GLN . . . . . 0.497 ' HG2' ' O ' ' B' ' 104' ' ' LYS . 13.8 mm-40 -67.68 -58.97 3.74 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 122.885 0.474 . . . . 72.41 111.225 -176.292 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 19.6 mt -69.55 -36.16 69.76 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.917 0 CA-C-N 115.632 -0.713 . . . . 64.43 110.746 -173.247 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -71.2 -34.26 70.7 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 123.659 0.784 . . . . 75.41 110.344 179.145 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -61.1 -44.36 97.48 Favored 'General case' 0 N--CA 1.486 1.355 0 CA-C-O 120.984 0.421 . . . . 64.31 110.258 174.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 112' ' ' GLU . . . . . 0.504 ' HB3' HD21 ' A' ' 13' ' ' ASN . 4.5 tp10 -66.76 -41.48 87.69 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 115.277 -0.874 . . . . 74.4 110.126 176.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -60.56 -40.08 90.31 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 124.766 1.227 . . . . 75.3 110.842 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -59.61 -52.75 64.2 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.535 1.134 . . . . 73.13 110.072 174.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 14.1 ttpt -56.17 -39.13 71.88 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 114.64 -1.163 . . . . 74.33 110.196 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 116' ' ' LEU . . . . . 0.437 ' HB3' ' HB3' ' A' ' 16' ' ' LEU . 90.5 mt -67.16 -34.43 77.54 Favored 'General case' 0 C--N 1.349 0.577 0 C-N-CA 124.214 1.006 . . . . 73.01 111.9 -179.787 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 49.4 mtmt -72.64 -33.93 66.94 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-O 120.748 0.309 . . . . 75.52 110.948 176.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -73.01 -47.89 41.06 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 115.66 -0.7 . . . . 54.02 110.921 -178.13 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 119' ' ' GLN . . . . . 0.412 HE22 ' HB3' ' A' ' 20' ' ' LEU . 5.1 pp0? -66.71 -38.43 86.69 Favored 'General case' 0 C--N 1.345 0.382 0 CA-C-N 115.809 -0.632 . . . . 73.41 110.966 -179.183 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 1.7 pp -66.43 -40.65 89.63 Favored 'General case' 0 C--N 1.368 1.395 0 N-CA-C 109.287 -0.635 . . . . 70.14 109.287 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 12.2 t-80 -53.29 -47.79 68.89 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.954 0.901 . . . . 72.42 110.588 176.288 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 122' ' ' ASP . . . . . 0.444 ' O ' ' HG2' ' B' ' 126' ' ' GLU . 1.2 m-20 -63.33 -52.71 60.72 Favored 'General case' 0 C--O 1.217 -0.643 0 CA-C-N 115.191 -0.913 . . . . 64.33 110.984 177.73 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 123' ' ' THR . . . . . 0.615 HG22 HG22 ' A' ' 23' ' ' THR . 20.7 m -61.7 -27.11 68.47 Favored 'General case' 0 CA--C 1.558 1.259 0 C-N-CA 123.472 0.709 . . . . 74.21 111.748 -179.702 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 124' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -73.96 -48.49 30.08 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.117 0.967 . . . . 74.3 110.115 178.188 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 125' ' ' MET . . . . . . . . . . . . . 27.0 ptm -70.47 -27.52 64.28 Favored 'General case' 0 N--CA 1.475 0.808 0 O-C-N 123.166 0.291 . . . . 74.54 111.086 -178.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 126' ' ' GLU . . . . . 0.513 ' O ' ' HG ' ' B' ' 130' ' ' LEU . 6.9 mm-40 -65.68 -50.46 64.82 Favored 'General case' 0 C--N 1.353 0.74 0 N-CA-C 109.114 -0.698 . . . . 75.41 109.114 171.131 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 127' ' ' LEU . . . . . 0.466 HD22 HG23 ' A' ' 23' ' ' THR . 59.1 tp -56.46 -39.0 72.43 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.973 0.909 . . . . 63.4 111.367 178.761 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 128' ' ' THR . . . . . . . . . . . . . 20.6 m -71.22 -36.41 71.85 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.979 0.911 . . . . 71.14 110.339 178.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -73.89 -29.89 62.31 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.988 0.915 . . . . 73.13 110.592 -179.453 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 130' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' B' ' 126' ' ' GLU . 95.3 mt -71.97 -51.07 23.78 Favored 'General case' 0 C--N 1.351 0.661 0 C-N-CA 123.492 0.717 . . . . 74.21 109.693 179.138 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.72 -29.76 70.76 Favored 'General case' 0 C--N 1.358 0.975 0 O-C-N 123.66 0.6 . . . . 63.3 109.867 178.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 38.3 tp -65.39 -37.52 87.22 Favored 'General case' 0 C--N 1.359 0.99 0 C-N-CA 123.523 0.729 . . . . 73.2 109.929 173.181 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 133' ' ' GLN . . . . . 0.45 ' HB3' HD21 ' A' ' 34' ' ' LEU . 21.6 mt-30 -79.18 -16.14 57.03 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 123.052 0.541 . . . . 65.2 111.965 177.428 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 134' ' ' LEU . . . . . 0.656 HD22 ' HG ' ' A' ' 34' ' ' LEU . 3.3 mm? . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.703 -0.48 . . . . 73.45 109.703 168.587 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.527 ' HD3' ' N ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.202 0 CA-C-O 120.834 0.349 . . . . 74.3 110.443 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.527 ' N ' ' HD3' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -80.78 -30.59 36.0 Favored 'General case' 0 C--O 1.212 -0.885 0 CA-C-N 115.46 -0.791 . . . . 73.44 110.081 179.298 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 26.5 tp -56.87 -44.69 82.49 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-O 121.481 0.657 . . . . 75.35 110.223 173.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.486 ' HD1' HD13 ' B' ' 105' ' ' LEU . 30.5 t80 -54.31 -49.77 68.89 Favored 'General case' 0 C--N 1.35 0.596 0 CA-C-N 113.983 -1.462 . . . . 75.22 110.42 173.139 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -67.74 -34.72 77.39 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 124.253 1.021 . . . . 65.24 113.202 -176.128 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.439 ' HG2' ' O ' ' A' ' 4' ' ' LYS . 10.9 mm-40 -65.26 -62.45 1.53 Allowed 'General case' 0 N--CA 1.483 1.213 0 CA-C-N 118.079 0.4 . . . . 70.43 111.566 -177.239 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.565 HD11 ' CD1' ' B' ' 106' ' ' TYR . 20.4 mt -58.37 -41.23 80.85 Favored 'Isoleucine or valine' 0 C--N 1.357 0.928 0 O-C-N 123.263 0.352 . . . . 64.24 111.16 178.01 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.52 ' HA ' ' HB3' ' A' ' 13' ' ' ASN . 14.9 tp -70.44 -24.38 62.88 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.1 0.56 . . . . 72.53 112.168 -178.615 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.74 -45.98 76.92 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 122.589 0.355 . . . . 74.05 110.239 173.579 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -76.88 -22.76 52.96 Favored 'General case' 0 C--O 1.216 -0.693 0 CA-C-N 116.102 -0.499 . . . . 72.11 110.62 176.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.52 ' HB3' ' HA ' ' A' ' 10' ' ' LEU . 26.8 t-20 -66.51 -36.91 83.86 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 123.221 0.608 . . . . 62.14 109.438 172.409 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -67.86 -46.15 72.55 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.048 0.939 . . . . 61.15 110.607 171.117 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.4 ttpt -57.75 -44.71 86.3 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.419 0.687 . . . . 61.4 111.0 179.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.456 ' HB3' ' HB3' ' B' ' 116' ' ' LEU . 80.5 mt -70.08 -30.1 67.25 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.141 0.976 . . . . 70.23 110.417 179.351 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.452 ' HA ' HD23 ' A' ' 20' ' ' LEU . 0.3 OUTLIER -69.83 -33.32 72.14 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.508 0.723 . . . . 75.41 109.64 173.676 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.92 -56.97 4.42 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.451 0.701 . . . . 73.22 109.863 -177.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -63.53 -34.64 78.23 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 115.916 -0.583 . . . . 60.14 112.081 -179.198 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.452 HD23 ' HA ' ' A' ' 17' ' ' LYS . 0.6 OUTLIER -65.71 -43.03 90.39 Favored 'General case' 0 N--CA 1.486 1.358 0 N-CA-C 109.262 -0.644 . . . . 55.31 109.262 174.895 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.447 ' O ' ' HG2' ' A' ' 25' ' ' MET . 23.7 t60 -58.08 -45.06 87.77 Favored 'General case' 0 C--N 1.353 0.741 0 O-C-N 124.148 0.905 . . . . 72.54 109.309 -177.708 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -60.84 -46.98 88.44 Favored 'General case' 0 N--CA 1.468 0.465 0 O-C-N 123.926 0.766 . . . . 63.32 110.909 175.467 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.569 HG21 ' ND2' ' B' ' 124' ' ' ASN . 21.5 m -66.15 -29.18 69.42 Favored 'General case' 0 N--CA 1.478 0.945 0 O-C-N 123.606 0.566 . . . . 70.44 111.222 -177.72 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.541 ' ND2' HG21 ' B' ' 123' ' ' THR . 0.9 OUTLIER -75.06 -46.08 37.23 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.706 0.802 . . . . 73.14 109.568 -179.938 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.447 ' HG2' ' O ' ' A' ' 21' ' ' HIS . 32.1 mmt -63.1 -47.91 80.84 Favored 'General case' 0 C--N 1.354 0.77 0 C-N-CA 123.089 0.556 . . . . 65.15 111.073 179.315 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.445 ' O ' ' HB2' ' A' ' 30' ' ' LEU . 12.6 pt-20 -72.3 -24.93 61.4 Favored 'General case' 0 C--O 1.21 -1.024 0 CA-C-O 118.865 -0.588 . . . . 65.31 111.373 -177.359 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.56 HD11 ' HB2' ' B' ' 126' ' ' GLU . 6.7 tt -67.39 -53.5 28.7 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 123.351 0.66 . . . . 73.41 109.484 173.092 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 83.2 m -67.11 -34.79 78.38 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.291 1.036 . . . . 74.3 111.275 -174.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.464 ' O ' ' HG2' ' A' ' 33' ' ' GLN . 6.4 t70 -62.59 -58.38 7.74 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 114.616 -1.175 . . . . 54.13 109.564 172.504 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.834 ' HG ' HD12 ' B' ' 130' ' ' LEU . 21.8 tp -53.4 -38.43 63.4 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.347 1.459 . . . . 72.41 111.028 -178.416 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.481 ' HA ' HD11 ' B' ' 130' ' ' LEU . 40.4 tptt -67.18 -50.18 61.95 Favored 'General case' 0 C--O 1.252 1.229 0 C-N-CA 126.333 1.853 . . . . 74.2 111.808 179.511 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 46.8 tp -59.69 -56.38 22.55 Favored 'General case' 0 C--O 1.246 0.875 0 CA-C-N 115.04 -0.982 . . . . 71.24 110.469 -176.277 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.481 HE21 HD12 ' A' ' 30' ' ' LEU . 4.4 pt20 -65.67 -32.87 74.68 Favored 'General case' 0 CA--C 1.553 1.06 0 CA-C-N 115.336 -0.847 . . . . 55.32 111.562 178.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.499 HD22 HD13 ' B' ' 130' ' ' LEU . 29.0 tp . . . . . 0 N--CA 1.49 1.568 0 C-N-CA 123.628 0.771 . . . . 73.4 109.996 178.562 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 102' ' ' PHE . . . . . 0.556 ' HB3' HD23 ' B' ' 105' ' ' LEU . 97.4 m-85 . . . . . 0 C--O 1.243 0.739 0 N-CA-C 111.978 0.362 . . . . 73.41 111.978 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.24 -38.96 77.89 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 109.706 -0.479 . . . . 72.55 109.706 173.235 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 104' ' ' LYS . . . . . 0.475 ' O ' ' HG2' ' B' ' 108' ' ' GLN . 0.0 OUTLIER -64.43 -40.04 95.0 Favored 'General case' 0 C--O 1.208 -1.105 0 CA-C-N 115.159 -0.928 . . . . 65.53 109.931 178.61 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 105' ' ' LEU . . . . . 0.556 HD23 ' HB3' ' B' ' 102' ' ' PHE . 0.0 OUTLIER -55.93 -49.83 72.42 Favored 'General case' 0 C--O 1.253 1.283 0 O-C-N 123.778 0.673 . . . . 62.21 109.342 -178.106 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 106' ' ' TYR . . . . . 0.565 ' CD1' HD11 ' A' ' 9' ' ' ILE . 37.1 t80 -54.15 -48.7 70.57 Favored 'General case' 0 C--N 1.354 0.784 0 O-C-N 124.669 1.231 . . . . 75.51 109.512 179.098 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -67.64 -38.7 84.22 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.218 1.007 . . . . 75.42 113.355 -176.444 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 108' ' ' GLN . . . . . 0.475 ' HG2' ' O ' ' B' ' 104' ' ' LYS . 11.5 mm-40 -69.46 -54.66 13.19 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 122.725 0.41 . . . . 71.44 111.392 -173.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 23.5 mt -67.01 -34.7 71.59 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.787 0 O-C-N 123.527 0.517 . . . . 74.31 110.106 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 110' ' ' LEU . . . . . 0.402 ' HB2' ' O ' ' B' ' 106' ' ' TYR . 1.6 tm? -68.0 -34.36 76.37 Favored 'General case' 0 N--CA 1.491 1.591 0 C-N-CA 122.979 0.511 . . . . 62.23 110.839 176.726 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -67.95 -34.63 76.95 Favored 'General case' 0 N--CA 1.486 1.352 0 CA-C-O 120.943 0.402 . . . . 71.44 110.721 175.284 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 112' ' ' GLU . . . . . 0.463 ' O ' ' HG ' ' B' ' 116' ' ' LEU . 29.3 tp10 -74.18 -38.04 63.77 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 115.758 -0.655 . . . . 75.54 110.04 177.16 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -67.46 -39.11 85.31 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.322 1.449 . . . . 65.44 109.187 178.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 114' ' ' GLU . . . . . 0.445 ' HA ' ' HE3' ' B' ' 117' ' ' LYS . 0.9 OUTLIER -58.5 -50.85 72.27 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 125.283 1.433 . . . . 65.45 109.097 174.875 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 15.1 ttpt -55.31 -37.83 67.9 Favored 'General case' 0 C--N 1.349 0.556 0 CA-C-N 114.263 -1.335 . . . . 75.2 109.963 179.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 116' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' B' ' 112' ' ' GLU . 93.9 mt -66.57 -33.62 76.09 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 115.268 -0.878 . . . . 71.24 112.577 179.274 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 117' ' ' LYS . . . . . 0.445 ' HE3' ' HA ' ' B' ' 114' ' ' GLU . 0.0 OUTLIER -67.88 -37.25 81.55 Favored 'General case' 0 N--CA 1.499 1.996 0 CA-C-N 118.442 0.565 . . . . 73.01 111.264 172.511 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -69.94 -49.65 49.83 Favored 'General case' 0 C--O 1.242 0.683 0 CA-C-N 116.121 -0.49 . . . . 61.53 110.601 -177.166 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -67.57 -39.21 84.91 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 115.332 -0.849 . . . . 62.23 110.956 -176.63 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 1.7 pp -65.87 -40.36 91.55 Favored 'General case' 0 C--N 1.37 1.47 0 N-CA-C 109.38 -0.6 . . . . 74.15 109.38 -179.269 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 121' ' ' HIS . . . . . 0.457 ' O ' ' HG2' ' B' ' 125' ' ' MET . 61.3 t60 -57.16 -46.83 82.42 Favored 'General case' 0 C--N 1.356 0.867 0 O-C-N 124.193 0.933 . . . . 64.34 109.752 178.456 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 122' ' ' ASP . . . . . 0.518 ' O ' ' HG3' ' B' ' 126' ' ' GLU . 22.2 t70 -70.08 -39.57 75.52 Favored 'General case' 0 N--CA 1.475 0.777 0 O-C-N 123.777 0.673 . . . . 71.15 111.387 -178.29 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 123' ' ' THR . . . . . 0.557 HG22 HG22 ' A' ' 23' ' ' THR . 26.8 m -65.16 -32.13 73.67 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.398 0.679 . . . . 62.44 110.148 178.463 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 124' ' ' ASN . . . . . 0.569 ' ND2' HG21 ' A' ' 23' ' ' THR . 1.0 OUTLIER -72.76 -35.81 67.55 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 115.694 -0.685 . . . . 73.44 110.408 175.576 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 125' ' ' MET . . . . . 0.457 ' HG2' ' O ' ' B' ' 121' ' ' HIS . 83.0 mmm -64.9 -38.9 92.52 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.119 0.568 . . . . 50.23 111.594 176.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 126' ' ' GLU . . . . . 0.56 ' HB2' HD11 ' A' ' 27' ' ' LEU . 23.8 mt-10 -66.34 -44.73 82.46 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 109.203 -0.666 . . . . 74.22 109.203 175.533 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 127' ' ' LEU . . . . . 0.562 HD22 HG23 ' A' ' 23' ' ' THR . 45.9 tp -62.39 -37.16 84.7 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.906 1.283 . . . . 72.45 111.7 179.388 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 128' ' ' THR . . . . . . . . . . . . . 98.8 m -71.44 -43.86 65.91 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.68 0.792 . . . . 52.0 109.841 -179.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -65.16 -34.34 78.15 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 115.602 -0.726 . . . . 75.1 110.139 176.481 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 130' ' ' LEU . . . . . 0.834 HD12 ' HG ' ' A' ' 30' ' ' LEU . 0.2 OUTLIER -72.21 -47.67 48.76 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 115.548 -0.751 . . . . 74.24 109.941 -175.934 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.23 -23.62 63.9 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 109.882 -0.414 . . . . 73.25 109.882 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 40.4 tp -70.86 -43.74 67.84 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 123.438 0.695 . . . . 71.25 109.69 172.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 133' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -63.73 -30.49 71.59 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.159 0.583 . . . . 70.45 109.98 173.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.47 0.568 0 C-N-CA 124.067 0.947 . . . . 65.11 108.635 -177.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.416 ' HD3' ' H ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.897 0 N-CA-C 109.015 -0.735 . . . . 63.04 109.015 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.45 ' O ' ' HG2' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -75.62 -29.55 59.25 Favored 'General case' 0 C--O 1.214 -0.781 0 CA-C-N 114.863 -1.062 . . . . 73.02 109.181 176.677 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 30.7 tp -54.47 -48.75 71.43 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.501 0.721 . . . . 61.12 110.467 174.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -56.5 -43.04 79.32 Favored 'General case' 0 C--N 1.354 0.771 0 O-C-N 124.532 1.145 . . . . 61.11 110.576 176.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -66.37 -39.77 89.31 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 123.976 0.91 . . . . 65.21 112.448 178.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.45 ' HG2' ' O ' ' A' ' 4' ' ' LYS . 13.3 mm-40 -65.07 -59.1 4.5 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 122.919 0.488 . . . . 72.14 111.519 -174.48 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.434 HD11 ' HD1' ' B' ' 106' ' ' TYR . 3.5 mt -58.96 -49.56 82.76 Favored 'Isoleucine or valine' 0 C--N 1.352 0.71 0 O-C-N 124.12 0.888 . . . . 62.03 110.38 -178.313 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.531 ' HA ' ' HB3' ' A' ' 13' ' ' ASN . 20.1 tp -70.62 -26.0 63.29 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 124.474 1.108 . . . . 73.45 112.623 -173.141 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.95 -51.34 69.69 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 122.582 0.353 . . . . 64.42 110.057 171.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.468 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 4.4 tp10 -65.27 -45.14 85.72 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-N 115.932 -0.576 . . . . 71.23 110.3 177.113 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.531 ' HB3' ' HA ' ' A' ' 10' ' ' LEU . 24.3 t-20 -57.89 -43.67 86.24 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 125.287 1.435 . . . . 72.14 110.692 -175.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.467 ' HA ' ' HE3' ' A' ' 17' ' ' LYS . 2.5 tt0 -61.63 -53.0 62.01 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 123.83 0.852 . . . . 72.3 110.049 176.342 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.7 ttpt -50.04 -41.18 47.06 Favored 'General case' 0 C--N 1.356 0.851 0 O-C-N 124.478 1.111 . . . . 72.44 110.586 176.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.476 ' HB3' ' HB3' ' B' ' 116' ' ' LEU . 96.0 mt -65.15 -34.31 78.08 Favored 'General case' 0 C--N 1.35 0.627 0 O-C-N 124.242 0.964 . . . . 65.24 111.796 -177.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.467 ' HE3' ' HA ' ' A' ' 14' ' ' GLU . 0.0 OUTLIER -67.48 -35.45 79.2 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 122.388 0.275 . . . . 71.15 111.343 172.267 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.99 -58.6 3.65 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 116.329 -0.396 . . . . 52.24 110.208 -177.233 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -62.61 -32.56 73.59 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.866 0.867 . . . . 75.1 112.343 -177.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.494 ' HB3' HE22 ' B' ' 119' ' ' GLN . 1.3 pp -66.4 -43.58 85.4 Favored 'General case' 0 C--N 1.361 1.105 0 N-CA-C 108.711 -0.848 . . . . 72.11 108.711 174.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 54.2 t60 -62.75 -34.75 77.86 Favored 'General case' 0 C--N 1.356 0.848 0 O-C-N 123.534 0.521 . . . . 73.1 110.338 -175.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -62.65 -56.65 15.78 Favored 'General case' 0 N--CA 1.476 0.863 0 O-C-N 124.24 0.962 . . . . 53.1 110.256 171.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.53 HG22 HG22 ' B' ' 123' ' ' THR . 16.2 m -67.27 -26.24 66.46 Favored 'General case' 0 CA--C 1.549 0.938 0 O-C-N 123.672 0.607 . . . . 74.35 112.163 -174.281 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.543 ' ND2' HG21 ' B' ' 123' ' ' THR . 1.0 OUTLIER -78.09 -48.27 16.42 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.699 0.8 . . . . 72.1 109.371 -179.124 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 25.4 ptt? -68.22 -39.55 82.33 Favored 'General case' 0 C--N 1.358 0.96 0 O-C-N 123.515 0.509 . . . . 72.22 109.954 -177.025 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.451 ' O ' ' HB2' ' A' ' 30' ' ' LEU . 16.3 pt-20 -75.41 -28.7 59.5 Favored 'General case' 0 C--N 1.357 0.927 0 CA-C-O 119.006 -0.521 . . . . 74.23 110.073 -177.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 66.6 tp -64.47 -43.47 94.11 Favored 'General case' 0 C--N 1.355 0.818 0 C-N-CA 122.815 0.446 . . . . 54.41 110.259 169.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 68.7 m -61.16 -48.96 79.18 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.38 0.672 . . . . 74.2 110.336 -179.036 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -58.95 -44.57 91.46 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.542 0.737 . . . . 72.23 110.745 173.07 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.489 HD12 HE21 ' A' ' 33' ' ' GLN . 13.3 tp -69.04 -40.15 78.77 Favored 'General case' 0 C--N 1.357 0.908 0 O-C-N 123.686 0.617 . . . . 70.51 110.828 -169.783 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.3 -34.45 61.29 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 122.516 0.326 . . . . 73.54 110.857 -178.606 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 28.3 tp -58.64 -58.46 8.45 Favored 'General case' 0 C--N 1.355 0.812 0 O-C-N 124.687 1.242 . . . . 74.4 110.058 -179.091 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.54 HE22 HD11 ' B' ' 134' ' ' LEU . 4.7 pp0? -70.45 -33.83 71.75 Favored 'General case' 0 C--O 1.24 0.554 0 CA-C-N 115.032 -0.985 . . . . 73.55 111.358 -177.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.45 HD23 HD22 ' B' ' 134' ' ' LEU . 1.3 tm? . . . . . 0 C--N 1.354 0.773 0 CA-C-O 118.272 -0.87 . . . . 62.14 110.188 -178.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 102' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 . . . . . 0 N--CA 1.474 0.75 0 N-CA-C 111.701 0.26 . . . . 71.52 111.701 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.28 -38.32 73.76 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.386 0.612 . . . . 74.0 109.658 176.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 104' ' ' LYS . . . . . 0.467 ' O ' ' HG2' ' B' ' 108' ' ' GLN . 0.0 OUTLIER -76.15 -31.35 58.53 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-N 114.953 -1.021 . . . . 62.55 110.565 -178.088 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.22 -43.74 92.29 Favored 'General case' 0 C--N 1.372 1.564 0 N-CA-C 108.046 -1.094 . . . . 63.01 108.046 177.585 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 106' ' ' TYR . . . . . 0.434 ' HD1' HD11 ' A' ' 9' ' ' ILE . 30.9 t80 -57.31 -52.9 63.47 Favored 'General case' 0 C--N 1.369 1.442 0 O-C-N 124.562 1.164 . . . . 71.34 109.16 178.078 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 52.3 mm-40 -63.28 -40.52 97.61 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 124.372 1.045 . . . . 62.31 113.322 -174.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 108' ' ' GLN . . . . . 0.467 ' HG2' ' O ' ' B' ' 104' ' ' LYS . 10.1 mm-40 -66.75 -56.63 9.65 Favored 'General case' 0 N--CA 1.485 1.278 0 O-C-N 123.212 0.32 . . . . 74.32 110.54 -175.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 21.4 mt -67.6 -37.51 78.86 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.798 0 O-C-N 123.696 0.623 . . . . 62.44 110.608 -175.273 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -70.99 -34.83 71.77 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 123.536 0.734 . . . . 61.45 110.657 -178.575 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -66.68 -41.24 88.41 Favored 'General case' 0 N--CA 1.482 1.173 0 CA-C-N 117.797 0.271 . . . . 54.23 110.476 177.356 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 112' ' ' GLU . . . . . 0.472 ' O ' ' HG ' ' B' ' 116' ' ' LEU . 6.3 tp10 -64.65 -45.56 86.23 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 115.816 -0.629 . . . . 64.13 109.41 174.479 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -57.8 -43.18 85.47 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 125.152 1.381 . . . . 72.4 110.587 -178.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 114' ' ' GLU . . . . . 0.436 ' HA ' ' HE3' ' B' ' 117' ' ' LYS . 4.7 tt0 -57.99 -51.83 68.03 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.642 1.177 . . . . 60.14 110.349 176.777 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 19.6 ttpt -55.18 -39.96 70.16 Favored 'General case' 0 C--N 1.351 0.667 0 O-C-N 124.586 1.179 . . . . 75.1 110.299 177.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 116' ' ' LEU . . . . . 0.476 ' HB3' ' HB3' ' A' ' 16' ' ' LEU . 90.6 mt -65.99 -33.56 76.1 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 124.11 0.881 . . . . 63.22 112.009 -176.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 117' ' ' LYS . . . . . 0.436 ' HE3' ' HA ' ' B' ' 114' ' ' GLU . 0.0 OUTLIER -69.73 -39.68 76.65 Favored 'General case' 0 N--CA 1.487 1.423 0 CA-C-N 118.135 0.425 . . . . 71.25 110.656 173.057 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -66.6 -46.08 77.1 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.219 0.608 . . . . 73.22 110.9 -176.328 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 119' ' ' GLN . . . . . 0.494 HE22 ' HB3' ' A' ' 20' ' ' LEU . 5.1 pp0? -71.16 -39.84 71.67 Favored 'General case' 0 C--N 1.345 0.387 0 CA-C-N 115.265 -0.88 . . . . 75.32 111.039 -176.243 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.5 -38.69 81.18 Favored 'General case' 0 C--N 1.36 1.052 0 N-CA-C 108.999 -0.741 . . . . 73.22 108.999 -179.139 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 15.3 t60 -56.58 -48.14 78.03 Favored 'General case' 0 C--N 1.359 1.002 0 O-C-N 124.039 0.837 . . . . 74.5 109.548 178.247 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -58.63 -54.25 49.19 Favored 'General case' 0 C--N 1.349 0.563 0 O-C-N 124.5 1.125 . . . . 73.3 110.505 176.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 123' ' ' THR . . . . . 0.543 HG21 ' ND2' ' A' ' 24' ' ' ASN . 18.6 m -65.45 -26.81 68.12 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 123.5 0.72 . . . . 75.22 111.978 -174.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 124' ' ' ASN . . . . . 0.424 ' ND2' HG21 ' A' ' 23' ' ' THR . 0.9 OUTLIER -73.21 -44.9 58.92 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 109.318 -0.623 . . . . 72.42 109.318 176.365 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 125' ' ' MET . . . . . . . . . . . . . 11.7 mmt -68.47 -25.27 64.9 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.243 0.617 . . . . 74.31 111.611 176.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -66.8 -49.26 66.41 Favored 'General case' 0 C--N 1.352 0.698 0 N-CA-C 108.839 -0.8 . . . . 74.44 108.839 170.078 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 127' ' ' LEU . . . . . 0.488 HD22 HG23 ' A' ' 23' ' ' THR . 32.2 tp -63.87 -31.82 73.12 Favored 'General case' 0 CA--C 1.554 1.132 0 C-N-CA 124.274 1.03 . . . . 71.0 111.011 -179.241 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 128' ' ' THR . . . . . . . . . . . . . 47.0 m -73.65 -45.88 50.03 Favored 'General case' 0 C--N 1.356 0.867 0 C-N-CA 124.118 0.967 . . . . 74.42 109.764 178.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -58.88 -42.74 90.21 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.03 0.932 . . . . 73.52 110.127 175.427 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 130' ' ' LEU . . . . . 0.411 ' HB3' HD23 ' A' ' 30' ' ' LEU . 2.8 mm? -67.66 -40.92 84.46 Favored 'General case' 0 C--O 1.226 -0.158 0 CA-C-N 115.42 -0.809 . . . . 75.43 111.399 -177.3 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.78 -28.86 67.16 Favored 'General case' 0 CA--C 1.556 1.207 0 N-CA-C 109.185 -0.672 . . . . 55.41 109.185 179.667 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 59.0 tp -68.57 -41.53 79.59 Favored 'General case' 0 C--N 1.357 0.934 0 C-N-CA 123.597 0.759 . . . . 74.33 110.259 171.329 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 133' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -66.7 -32.79 74.33 Favored 'General case' 0 N--CA 1.479 0.988 0 O-C-N 122.255 -0.278 . . . . 72.12 110.437 177.496 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 134' ' ' LEU . . . . . 0.54 HD11 HE22 ' A' ' 33' ' ' GLN . 1.9 mm? . . . . . 0 N--CA 1.473 0.684 0 C-N-CA 123.483 0.713 . . . . 72.23 110.51 178.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.051 0 N-CA-C 109.768 -0.456 . . . . 75.54 109.768 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.435 ' O ' ' HG2' ' A' ' 8' ' ' GLN . 0.1 OUTLIER -74.37 -24.72 59.2 Favored 'General case' 0 C--N 1.358 0.976 0 CA-C-O 118.793 -0.622 . . . . 44.41 110.018 178.776 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 34.8 tp -53.82 -47.85 70.47 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 122.648 0.379 . . . . 70.52 110.464 172.382 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -54.38 -50.96 66.28 Favored 'General case' 0 C--N 1.353 0.732 0 O-C-N 124.425 1.078 . . . . 73.41 109.949 175.043 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -59.32 -35.08 73.16 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.44 1.096 . . . . 62.52 112.772 -179.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.435 ' HG2' ' O ' ' A' ' 4' ' ' LYS . 11.9 mm-40 -66.32 -62.71 1.33 Allowed 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 122.952 0.501 . . . . 54.35 111.714 -177.365 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.509 HD11 ' CD2' ' B' ' 106' ' ' TYR . 3.2 mt -59.28 -43.63 90.35 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.954 0 O-C-N 123.853 0.72 . . . . 64.42 111.076 178.62 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.99 -31.68 72.41 Favored 'General case' 0 N--CA 1.49 1.575 0 C-N-CA 123.826 0.85 . . . . 52.32 110.976 -176.569 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.72 -43.37 98.98 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-O 121.053 0.454 . . . . 41.53 109.862 174.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.459 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 2.3 tp10 -69.66 -37.09 76.58 Favored 'General case' 0 C--O 1.213 -0.817 0 CA-C-N 114.984 -1.007 . . . . 74.43 110.787 175.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -66.45 -45.22 80.54 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 124.874 1.27 . . . . 73.22 110.821 -173.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -67.29 -45.22 77.22 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 114.713 -1.131 . . . . 64.35 110.57 176.118 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.7 ttpt -52.58 -43.69 65.43 Favored 'General case' 0 CA--C 1.549 0.907 0 O-C-N 123.707 0.629 . . . . 73.22 110.585 173.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 12' ' ' GLU . 94.6 mt -69.75 -32.05 70.35 Favored 'General case' 0 C--N 1.356 0.864 0 C-N-CA 123.91 0.884 . . . . 72.53 111.161 -179.693 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.43 ' HB3' ' HE3' ' A' ' 17' ' ' LYS . 0.2 OUTLIER -68.48 -33.6 74.45 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 123.447 0.699 . . . . 74.41 110.231 174.302 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.56 -52.03 14.91 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.409 0.683 . . . . 72.35 110.922 -177.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -66.9 -36.61 82.67 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.269 0.628 . . . . 62.22 112.113 -179.21 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.26 -45.41 88.21 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 109.047 -0.723 . . . . 72.11 109.047 176.148 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 45.6 t-80 -60.2 -42.94 96.15 Favored 'General case' 0 C--N 1.35 0.62 0 O-C-N 124.167 0.917 . . . . 72.33 109.987 -175.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -69.87 -37.45 76.1 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 115.708 -0.678 . . . . 72.03 111.296 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.508 ' HA ' ' HG2' ' A' ' 26' ' ' GLU . 16.2 m -72.97 -29.58 63.17 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 122.594 0.358 . . . . 74.12 110.458 178.308 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.542 ' ND2' HG21 ' B' ' 123' ' ' THR . 0.9 OUTLIER -71.08 -43.88 66.85 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 109.202 -0.666 . . . . 72.35 109.202 177.774 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 15.8 mmt -63.36 -50.07 71.38 Favored 'General case' 0 C--N 1.346 0.456 0 CA-C-N 116.233 -0.44 . . . . 72.44 111.109 178.099 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.508 ' HG2' ' HA ' ' A' ' 23' ' ' THR . 12.8 pt-20 -68.36 -27.03 65.89 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-O 119.31 -0.376 . . . . 71.45 111.157 -177.743 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 63.3 tp -70.52 -40.88 73.24 Favored 'General case' 0 C--N 1.356 0.868 0 C-N-CA 123.361 0.664 . . . . 63.55 110.636 173.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 87.7 m -63.83 -43.99 94.56 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.294 0.638 . . . . 44.05 109.849 177.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.506 ' O ' ' HG3' ' A' ' 33' ' ' GLN . 5.5 m-20 -59.91 -52.18 66.52 Favored 'General case' 0 C--N 1.345 0.407 0 CA-C-N 115.131 -0.941 . . . . 64.31 109.64 173.354 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.528 HD12 ' HB3' ' B' ' 130' ' ' LEU . 0.3 OUTLIER -64.74 -41.6 95.81 Favored 'General case' 0 C--O 1.207 -1.159 0 O-C-N 123.653 0.596 . . . . 43.24 109.449 -170.711 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.419 ' HE2' ' HB2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -69.15 -36.77 77.77 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 110.126 -0.324 . . . . 72.41 110.126 -176.151 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 39.7 tp -66.56 -56.52 10.41 Favored 'General case' 0 C--N 1.356 0.879 0 O-C-N 123.83 0.706 . . . . 74.25 110.766 179.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.506 ' HG3' ' O ' ' A' ' 29' ' ' ASP . 0.4 OUTLIER -65.82 -34.23 77.68 Favored 'General case' 0 C--O 1.25 1.08 0 O-C-N 122.242 -0.286 . . . . 72.04 111.532 -179.143 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.514 HD23 ' HA ' ' B' ' 134' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.48 1.061 0 CA-C-O 118.179 -0.915 . . . . 54.3 109.733 178.578 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 102' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 . . . . . 0 N--CA 1.471 0.623 0 N-CA-C 112.731 0.641 . . . . 75.4 112.731 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.62 -36.79 74.62 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 109.793 -0.447 . . . . 73.12 109.793 176.184 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 104' ' ' LYS . . . . . 0.427 ' O ' ' HG2' ' B' ' 108' ' ' GLN . 0.0 OUTLIER -68.47 -35.04 76.99 Favored 'General case' 0 C--N 1.361 1.068 0 CA-C-O 118.559 -0.734 . . . . 55.2 110.835 179.11 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.3 -39.66 95.2 Favored 'General case' 0 C--N 1.369 1.455 0 N-CA-C 108.399 -0.963 . . . . 75.05 108.399 -179.118 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 106' ' ' TYR . . . . . 0.509 ' CD2' HD11 ' A' ' 9' ' ' ILE . 34.1 t80 -61.79 -42.62 99.23 Favored 'General case' 0 C--N 1.359 0.979 0 O-C-N 124.102 0.876 . . . . 73.44 109.161 176.12 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -63.2 -45.3 92.37 Favored 'General case' 0 C--O 1.213 -0.823 0 C-N-CA 123.088 0.555 . . . . 74.12 111.386 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 108' ' ' GLN . . . . . 0.427 ' HG2' ' O ' ' B' ' 104' ' ' LYS . 14.3 mm-40 -67.3 -57.5 6.54 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 122.484 0.313 . . . . 61.54 111.169 -172.485 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 13.9 mt -71.53 -38.18 66.84 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.831 0 CA-C-N 115.513 -0.767 . . . . 73.34 111.011 -172.291 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 110' ' ' LEU . . . . . 0.439 ' HA ' ' HB3' ' B' ' 113' ' ' ASN . 1.5 tm? -74.61 -31.9 62.16 Favored 'General case' 0 N--CA 1.493 1.682 0 C-N-CA 123.005 0.522 . . . . 75.33 110.282 -178.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.89 -44.99 87.83 Favored 'General case' 0 N--CA 1.483 1.211 0 CA-C-O 120.961 0.41 . . . . 71.31 109.901 173.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 112' ' ' GLU . . . . . 0.495 ' O ' ' HG ' ' B' ' 116' ' ' LEU . 38.4 tp10 -63.32 -39.82 95.63 Favored 'General case' 0 C--O 1.209 -1.076 0 CA-C-N 115.005 -0.998 . . . . 74.43 110.538 173.548 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 113' ' ' ASN . . . . . 0.439 ' HB3' ' HA ' ' B' ' 110' ' ' LEU . 24.0 t-20 -63.48 -38.24 90.36 Favored 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 124.709 1.204 . . . . 74.23 110.954 -178.476 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -67.24 -44.97 78.11 Favored 'General case' 0 C--O 1.243 0.743 0 C-N-CA 124.153 0.981 . . . . 62.43 110.11 175.023 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 20.7 ttpt -56.97 -43.01 81.19 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 115.664 -0.698 . . . . 74.13 109.908 174.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 116' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' B' ' 112' ' ' GLU . 97.8 mt -65.26 -36.92 85.59 Favored 'General case' 0 C--N 1.353 0.76 0 O-C-N 124.276 0.985 . . . . 55.52 110.82 -179.09 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.96 -42.09 97.39 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 123.673 0.789 . . . . 73.34 109.895 177.026 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -75.18 -38.89 60.66 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 115.9 -0.591 . . . . 73.22 111.683 -175.002 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -74.89 -38.53 61.85 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 122.984 0.514 . . . . 71.32 111.059 -177.552 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 2.9 pp -64.79 -39.04 92.94 Favored 'General case' 0 C--N 1.367 1.343 0 N-CA-C 108.659 -0.867 . . . . 73.51 108.659 177.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 12.2 t60 -57.27 -49.68 75.3 Favored 'General case' 0 C--N 1.355 0.805 0 O-C-N 124.522 1.139 . . . . 72.41 109.224 178.116 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 122' ' ' ASP . . . . . 0.493 ' O ' ' HG2' ' B' ' 126' ' ' GLU . 26.6 t70 -59.66 -48.12 82.93 Favored 'General case' 0 C--N 1.351 0.647 0 O-C-N 124.505 1.128 . . . . 73.35 110.761 179.038 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 123' ' ' THR . . . . . 0.542 HG21 ' ND2' ' A' ' 24' ' ' ASN . 27.0 m -67.09 -33.41 75.43 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.676 0.79 . . . . 72.35 111.416 -175.613 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 124' ' ' ASN . . . . . 0.464 ' ND2' HG21 ' A' ' 23' ' ' THR . 0.9 OUTLIER -71.23 -38.18 72.0 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.344 0.658 . . . . 73.43 109.454 176.179 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 125' ' ' MET . . . . . . . . . . . . . 1.5 mmt -69.46 -32.19 70.95 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.546 0.739 . . . . 74.53 111.656 176.556 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 126' ' ' GLU . . . . . 0.493 ' HG2' ' O ' ' B' ' 122' ' ' ASP . 11.7 mm-40 -64.66 -45.38 86.99 Favored 'General case' 0 C--O 1.215 -0.738 0 N-CA-C 108.651 -0.87 . . . . 74.12 108.651 173.366 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 37.0 tp -66.13 -33.69 76.35 Favored 'General case' 0 CA--C 1.553 1.08 0 C-N-CA 123.677 0.791 . . . . 73.31 111.49 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 128' ' ' THR . . . . . 0.492 ' O ' ' HG3' ' B' ' 131' ' ' LYS . 55.4 m -73.18 -36.37 66.57 Favored 'General case' 0 N--CA 1.484 1.232 0 CA-C-O 121.502 0.667 . . . . 74.15 110.058 177.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 129' ' ' ASP . . . . . 0.441 ' O ' ' HG3' ' B' ' 133' ' ' GLN . 20.5 t70 -69.32 -35.64 76.15 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 115.737 -0.665 . . . . 72.42 109.505 173.708 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 130' ' ' LEU . . . . . 0.528 ' HB3' HD12 ' A' ' 30' ' ' LEU . 1.1 mm? -71.96 -35.68 69.64 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 123.995 0.918 . . . . 65.32 111.513 -177.639 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 131' ' ' LYS . . . . . 0.492 ' HG3' ' O ' ' B' ' 128' ' ' THR . 0.1 OUTLIER -73.39 -30.6 63.37 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 108.967 -0.753 . . . . 62.31 108.967 177.13 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 51.0 tp -65.53 -46.08 80.98 Favored 'General case' 0 C--N 1.356 0.876 0 CA-C-N 116.121 -0.49 . . . . 74.55 109.886 174.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 133' ' ' GLN . . . . . 0.441 ' HG3' ' O ' ' B' ' 129' ' ' ASP . 40.5 mt-30 -63.05 -35.38 80.05 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 116.164 -0.471 . . . . 65.43 109.817 174.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 134' ' ' LEU . . . . . 0.514 ' HA ' HD23 ' A' ' 34' ' ' LEU . 1.4 tm? . . . . . 0 C--N 1.355 0.819 0 C-N-CA 124.199 0.999 . . . . 75.31 109.472 -176.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.474 0.762 0 N-CA-C 109.587 -0.523 . . . . 72.11 109.587 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.8 -26.28 34.53 Favored 'General case' 0 C--O 1.211 -0.965 0 CA-C-O 118.725 -0.655 . . . . 72.14 109.649 -178.162 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 19.5 tp -54.69 -48.76 72.03 Favored 'General case' 0 N--CA 1.491 1.604 0 CA-C-O 121.304 0.573 . . . . 75.01 109.604 176.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -54.54 -51.86 63.85 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-N 113.743 -1.571 . . . . 73.21 109.927 173.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -60.1 -36.26 77.03 Favored 'General case' 0 C--O 1.216 -0.675 0 O-C-N 124.127 0.892 . . . . 65.11 112.793 -176.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 -63.84 -63.96 1.02 Allowed 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 122.657 0.383 . . . . 73.14 110.719 -175.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.557 HD13 ' HB2' ' B' ' 110' ' ' LEU . 18.5 mt -60.91 -41.03 87.32 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.033 0 CA-C-O 119.321 -0.371 . . . . 32.11 111.396 178.514 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.16 -30.23 70.67 Favored 'General case' 0 N--CA 1.491 1.576 0 C-N-CA 123.324 0.65 . . . . 72.12 110.757 -177.233 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.48 -50.74 68.49 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 122.601 0.36 . . . . 74.5 110.48 179.052 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.468 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 36.6 tt0 -67.67 -38.16 83.35 Favored 'General case' 0 C--O 1.213 -0.84 0 CA-C-N 116.196 -0.456 . . . . 62.31 109.961 176.564 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -60.09 -37.88 81.25 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 124.543 1.137 . . . . 63.4 110.854 -179.626 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -65.39 -49.91 67.51 Favored 'General case' 0 C--O 1.242 0.683 0 C-N-CA 124.449 1.1 . . . . 74.32 109.902 175.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.6 ttpt -55.31 -42.0 73.14 Favored 'General case' 0 C--O 1.211 -0.944 0 O-C-N 124.3 1.0 . . . . 74.31 109.778 176.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.475 ' HB3' ' HB3' ' B' ' 116' ' ' LEU . 95.3 mt -65.91 -37.2 85.47 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.616 1.166 . . . . 64.23 111.317 -176.678 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.487 ' HA ' HD23 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -66.46 -36.71 83.44 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 115.857 -0.611 . . . . 73.13 109.665 176.174 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.25 -51.09 16.37 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 115.459 -0.791 . . . . 44.15 111.055 -175.072 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -66.71 -34.25 77.43 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.738 0.815 . . . . 43.35 112.053 -178.732 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.487 HD23 ' HA ' ' A' ' 17' ' ' LYS . 0.5 OUTLIER -67.46 -41.84 84.0 Favored 'General case' 0 C--N 1.351 0.673 0 N-CA-C 108.409 -0.96 . . . . 72.54 108.409 176.275 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -58.41 -41.58 85.28 Favored 'General case' 0 C--N 1.357 0.911 0 O-C-N 123.813 0.695 . . . . 73.01 109.998 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -62.17 -57.28 12.1 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 123.417 0.448 . . . . 63.11 110.546 175.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.565 HG22 HG22 ' B' ' 123' ' ' THR . 22.4 m -60.9 -30.72 70.35 Favored 'General case' 0 CA--C 1.548 0.892 0 O-C-N 124.31 1.006 . . . . 73.25 111.847 -174.358 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.615 ' ND2' HG21 ' B' ' 123' ' ' THR . 0.9 OUTLIER -74.36 -48.67 26.64 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.554 0.742 . . . . 72.44 109.512 177.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 9.3 mmt -63.11 -43.82 97.39 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.354 0.662 . . . . 70.13 111.956 -179.12 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -78.7 -22.03 47.25 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 122.773 0.429 . . . . 52.52 110.614 -177.153 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.8 tt -65.2 -40.86 94.75 Favored 'General case' 0 C--N 1.354 0.803 0 N-CA-C 108.904 -0.776 . . . . 61.31 108.904 166.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 20.3 m -63.46 -42.87 98.63 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 123.243 0.617 . . . . 74.12 110.188 179.169 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -59.45 -47.81 84.05 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-N 115.807 -0.633 . . . . 75.24 110.097 170.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.1 mp -62.65 -39.87 95.23 Favored 'General case' 0 C--O 1.214 -0.81 0 O-C-N 124.454 1.097 . . . . 72.21 111.866 -173.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.13 -34.67 59.43 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 122.685 0.394 . . . . 72.11 111.158 -177.634 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 63.3 tp -68.16 -49.38 61.33 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 124.156 0.91 . . . . 71.34 110.057 -177.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -69.37 -40.6 77.34 Favored 'General case' 0 CA--C 1.55 0.974 0 CA-C-N 115.517 -0.765 . . . . 73.11 109.86 179.284 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.1 tm? . . . . . 0 N--CA 1.476 0.844 0 CA-C-O 118.073 -0.965 . . . . 54.41 109.794 -177.05 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 102' ' ' PHE . . . . . 0.447 ' O ' ' HG ' ' B' ' 105' ' ' LEU . 98.5 m-85 . . . . . 0 N--CA 1.478 0.958 0 N-CA-C 111.913 0.338 . . . . 64.15 111.913 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 103' ' ' LYS . . . . . 0.428 ' HD2' ' H ' ' B' ' 103' ' ' LYS . 0.0 OUTLIER -56.56 -37.15 70.15 Favored 'General case' 0 N--CA 1.481 1.122 0 CA-C-O 121.28 0.562 . . . . 62.14 109.728 174.931 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 104' ' ' LYS . . . . . 0.491 ' O ' ' HG2' ' B' ' 108' ' ' GLN . 0.0 OUTLIER -68.43 -35.45 77.64 Favored 'General case' 0 C--O 1.211 -0.955 0 CA-C-N 114.718 -1.128 . . . . 75.24 110.857 179.36 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 105' ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' B' ' 102' ' ' PHE . 0.5 OUTLIER -60.94 -42.92 99.13 Favored 'General case' 0 C--N 1.376 1.721 0 N-CA-C 108.754 -0.832 . . . . 73.24 108.754 179.166 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 106' ' ' TYR . . . . . 0.507 ' CD2' HD11 ' A' ' 9' ' ' ILE . 44.4 t80 -57.01 -47.46 80.82 Favored 'General case' 0 C--N 1.356 0.877 0 CA-C-N 114.906 -1.043 . . . . 75.23 109.906 177.459 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -68.48 -42.57 78.5 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 123.83 0.852 . . . . 53.55 113.114 -177.537 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 108' ' ' GLN . . . . . 0.491 ' HG2' ' O ' ' B' ' 104' ' ' LYS . 11.5 mm-40 -66.09 -51.51 57.4 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 122.665 0.386 . . . . 72.54 110.859 -174.203 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 18.0 mt -69.0 -38.1 78.04 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.731 0 CA-C-N 115.993 -0.549 . . . . 64.23 110.702 -178.172 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 110' ' ' LEU . . . . . 0.557 ' HB2' HD13 ' A' ' 9' ' ' ILE . 20.8 tp -74.17 -27.19 60.71 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 122.504 0.322 . . . . 71.4 111.614 -178.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -67.0 -41.49 86.62 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-O 120.828 0.347 . . . . 75.41 110.067 172.017 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 112' ' ' GLU . . . . . 0.489 ' O ' ' HG ' ' B' ' 116' ' ' LEU . 24.9 tp10 -67.82 -41.75 82.58 Favored 'General case' 0 C--O 1.211 -0.945 0 CA-C-N 115.284 -0.871 . . . . 75.41 110.357 175.563 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 34.5 t-20 -65.38 -42.2 92.96 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 124.686 1.194 . . . . 54.34 110.332 -177.68 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -59.01 -47.63 84.51 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.372 1.069 . . . . 74.32 110.432 173.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 29.9 ttpt -58.16 -47.12 84.37 Favored 'General case' 0 C--N 1.347 0.479 0 CA-C-N 115.343 -0.844 . . . . 64.14 109.976 177.368 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 116' ' ' LEU . . . . . 0.489 ' HG ' ' O ' ' B' ' 112' ' ' GLU . 95.4 mt -64.03 -29.39 70.54 Favored 'General case' 0 C--N 1.351 0.667 0 O-C-N 124.049 0.843 . . . . 64.11 110.901 -176.759 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 117' ' ' LYS . . . . . 0.461 ' HA ' HD23 ' B' ' 120' ' ' LEU . 0.2 OUTLIER -68.87 -44.39 73.4 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 123.758 0.823 . . . . 74.11 110.29 176.514 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -70.26 -45.74 65.81 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 115.175 -0.921 . . . . 61.4 111.3 -176.401 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -72.91 -31.77 64.89 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.753 0.821 . . . . 63.43 111.494 -175.265 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 120' ' ' LEU . . . . . 0.461 HD23 ' HA ' ' B' ' 117' ' ' LYS . 0.9 OUTLIER -67.36 -43.79 80.57 Favored 'General case' 0 C--N 1.359 0.979 0 N-CA-C 109.105 -0.702 . . . . 72.34 109.105 175.709 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 44.3 t-80 -60.23 -37.63 80.92 Favored 'General case' 0 C--N 1.357 0.898 0 O-C-N 123.984 0.803 . . . . 75.33 110.221 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 122' ' ' ASP . . . . . 0.523 ' O ' ' HG2' ' B' ' 126' ' ' GLU . 20.3 t70 -59.14 -60.91 3.1 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 114.502 -1.227 . . . . 75.53 110.385 171.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 123' ' ' THR . . . . . 0.615 HG21 ' ND2' ' A' ' 24' ' ' ASN . 16.8 m -61.47 -26.02 67.63 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 122.966 0.507 . . . . 75.31 112.108 -176.387 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 124' ' ' ASN . . . . . 0.449 ' ND2' HG21 ' A' ' 23' ' ' THR . 1.0 OUTLIER -71.45 -42.21 68.47 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.375 0.67 . . . . 64.25 110.535 177.582 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 125' ' ' MET . . . . . 0.492 ' HG2' ' O ' ' B' ' 122' ' ' ASP . 22.5 ptp -74.2 -27.19 60.69 Favored 'General case' 0 C--N 1.358 0.949 0 N-CA-C 110.3 -0.259 . . . . 71.11 110.3 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 126' ' ' GLU . . . . . 0.523 ' HG2' ' O ' ' B' ' 122' ' ' ASP . 8.8 mm-40 -68.67 -42.88 77.25 Favored 'General case' 0 C--N 1.354 0.769 0 N-CA-C 109.199 -0.667 . . . . 72.21 109.199 173.734 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 9.3 tt -62.5 -38.74 91.08 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.479 0.712 . . . . 70.02 109.975 176.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 128' ' ' THR . . . . . . . . . . . . . 84.2 m -64.48 -36.55 84.56 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.681 0.792 . . . . 71.33 110.964 176.375 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 129' ' ' ASP . . . . . 0.415 ' O ' ' HG3' ' B' ' 133' ' ' GLN . 13.3 t70 -62.76 -47.72 82.3 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.055 0.542 . . . . 71.03 109.894 174.057 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 130' ' ' LEU . . . . . 0.467 HD13 ' NE2' ' B' ' 133' ' ' GLN . 3.2 mm? -60.09 -37.92 81.38 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 123.904 0.753 . . . . 53.12 111.823 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 9.7 mtmp? -60.92 -55.16 36.23 Favored 'General case' 0 C--N 1.354 0.769 0 N-CA-C 109.476 -0.564 . . . . 75.14 109.476 173.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 42.2 tp -52.29 -39.11 60.07 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 124.971 1.42 . . . . 72.11 111.487 -176.49 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 133' ' ' GLN . . . . . 0.467 ' NE2' HD13 ' B' ' 130' ' ' LEU . 40.9 mt-30 -69.24 -36.92 77.67 Favored 'General case' 0 C--O 1.215 -0.727 0 C-N-CA 122.672 0.389 . . . . 64.52 111.005 178.283 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 54.8 mt . . . . . 0 N--CA 1.488 1.462 0 C-N-CA 123.091 0.556 . . . . 74.44 110.473 173.81 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.435 ' HD3' ' H ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.155 0 CA-C-O 121.391 0.615 . . . . 72.31 109.484 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.455 ' O ' ' HG2' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -78.72 -30.59 45.97 Favored 'General case' 0 C--O 1.211 -0.948 0 CA-C-N 115.087 -0.96 . . . . 73.34 109.833 177.205 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.427 ' O ' HG13 ' A' ' 9' ' ' ILE . 36.0 tp -53.52 -46.26 70.04 Favored 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 122.771 0.428 . . . . 73.24 110.193 174.24 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -55.47 -49.42 72.55 Favored 'General case' 0 C--N 1.355 0.833 0 O-C-N 124.824 1.327 . . . . 72.51 109.712 176.124 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 46.8 mm-40 -59.59 -38.27 80.76 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.344 1.058 . . . . 72.25 112.496 179.006 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.455 ' HG2' ' O ' ' A' ' 4' ' ' LYS . 10.9 mm-40 -68.69 -51.91 36.63 Favored 'General case' 0 N--CA 1.483 1.201 0 O-C-N 123.545 0.528 . . . . 75.34 111.141 -175.291 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.427 HG13 ' O ' ' A' ' 5' ' ' LEU . 3.8 mt -62.85 -49.42 83.74 Favored 'Isoleucine or valine' 0 C--N 1.359 1.02 0 O-C-N 123.521 0.513 . . . . 64.12 109.892 178.519 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.18 -27.29 69.26 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 124.683 1.193 . . . . 72.54 110.603 -177.299 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.75 -56.82 17.03 Favored 'General case' 0 N--CA 1.482 1.128 0 CA-C-O 121.35 0.595 . . . . 60.43 110.22 173.317 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.503 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 27.5 tp10 -66.26 -34.29 77.66 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 115.214 -0.903 . . . . 75.33 110.592 178.494 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -67.51 -46.25 73.41 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.342 1.057 . . . . 73.44 109.991 -175.214 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.406 ' HA ' ' HE3' ' A' ' 17' ' ' LYS . 4.2 pt-20 -63.42 -37.17 86.24 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.756 0.823 . . . . 73.52 108.782 178.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.4 ttpt -62.01 -42.87 99.62 Favored 'General case' 0 C--N 1.362 1.149 0 CA-C-N 114.726 -1.125 . . . . 74.35 109.192 178.404 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' A' ' 12' ' ' GLU . 95.3 mt -66.45 -30.75 71.17 Favored 'General case' 0 C--N 1.358 0.953 0 O-C-N 124.138 0.899 . . . . 51.31 112.024 -177.497 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.484 ' HA ' HD23 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -73.59 -32.83 64.32 Favored 'General case' 0 N--CA 1.49 1.569 0 CA-C-N 117.869 0.304 . . . . 63.12 111.347 172.832 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.5 -52.43 21.99 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 110.07 -0.344 . . . . 54.21 110.07 -177.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -68.01 -32.69 73.25 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.839 0.856 . . . . 74.31 112.05 -178.237 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.484 HD23 ' HA ' ' A' ' 17' ' ' LYS . 0.8 OUTLIER -65.39 -42.1 93.0 Favored 'General case' 0 C--N 1.367 1.351 0 N-CA-C 108.718 -0.845 . . . . 74.12 108.718 176.389 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.556 ' O ' ' HG3' ' A' ' 25' ' ' MET . 61.8 t60 -58.26 -47.83 82.35 Favored 'General case' 0 C--N 1.359 0.991 0 O-C-N 124.489 1.118 . . . . 72.4 109.475 -179.816 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -56.4 -51.26 68.99 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 124.317 1.011 . . . . 71.14 111.384 176.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.588 HG23 HD22 ' B' ' 127' ' ' LEU . 18.5 m -64.03 -29.83 70.94 Favored 'General case' 0 CA--C 1.549 0.939 0 O-C-N 124.272 0.983 . . . . 71.22 111.045 -177.561 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.519 ' ND2' HG21 ' B' ' 123' ' ' THR . 1.0 OUTLIER -70.96 -50.55 33.25 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.24 0.616 . . . . 74.22 110.252 176.686 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.556 ' HG3' ' O ' ' A' ' 21' ' ' HIS . 48.6 mtm -53.04 -58.26 7.59 Favored 'General case' 0 C--N 1.36 1.031 0 C-N-CA 123.902 0.881 . . . . 71.54 111.527 177.539 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.43 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 13.4 pt-20 -64.27 -36.18 83.27 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 124.129 0.893 . . . . 73.43 111.433 -173.68 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.749 HD11 ' HB2' ' B' ' 126' ' ' GLU . 6.3 tt -60.33 -40.78 91.86 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.779 0.832 . . . . 75.32 110.762 172.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.48 HG23 ' HE2' ' A' ' 31' ' ' LYS . 81.6 m -67.11 -39.51 86.69 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.451 0.701 . . . . 74.54 110.765 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.404 ' O ' ' HG3' ' A' ' 33' ' ' GLN . 22.3 m-20 -61.21 -44.49 97.19 Favored 'General case' 0 C--O 1.25 1.095 0 O-C-N 123.695 0.622 . . . . 54.31 109.943 173.815 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' ' 26' ' ' GLU . 7.1 mt -58.55 -60.94 3.02 Favored 'General case' 0 C--N 1.366 1.287 0 O-C-N 124.735 1.272 . . . . 64.35 110.071 -178.552 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.48 ' HE2' HG23 ' A' ' 28' ' ' THR . 0.0 OUTLIER -62.71 -29.36 70.61 Favored 'General case' 0 N--CA 1.481 1.121 0 O-C-N 123.937 0.773 . . . . 62.32 112.753 -174.873 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 42.7 tp -62.71 -69.08 0.28 Allowed 'General case' 0 C--N 1.353 0.723 0 O-C-N 123.693 0.62 . . . . 70.4 109.78 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.41 ' H ' ' HG3' ' A' ' 33' ' ' GLN . 2.6 pp0? -69.97 -21.85 63.21 Favored 'General case' 0 CA--C 1.554 1.099 0 N-CA-C 111.731 0.271 . . . . 74.54 111.731 -177.367 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' B' ' 134' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.351 0 C-N-CA 123.895 0.878 . . . . 73.31 110.222 175.376 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 102' ' ' PHE . . . . . 0.599 ' HA ' HD23 ' B' ' 105' ' ' LEU . 47.0 m-85 . . . . . 0 C--O 1.246 0.918 0 CA-C-O 120.915 0.388 . . . . 64.31 111.289 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.54 -42.04 87.79 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 108.791 -0.818 . . . . 74.43 108.791 174.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 104' ' ' LYS . . . . . 0.481 ' O ' ' HG2' ' B' ' 108' ' ' GLN . 0.0 OUTLIER -77.3 -25.89 51.75 Favored 'General case' 0 C--N 1.356 0.869 0 CA-C-O 118.132 -0.937 . . . . 55.23 110.578 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 105' ' ' LEU . . . . . 0.599 HD23 ' HA ' ' B' ' 102' ' ' PHE . 0.3 OUTLIER -59.33 -46.07 89.61 Favored 'General case' 0 C--N 1.372 1.562 0 N-CA-C 107.807 -1.182 . . . . 73.11 107.807 176.286 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 106' ' ' TYR . . . . . 0.413 ' CD1' HD11 ' A' ' 9' ' ' ILE . 33.5 t80 -61.86 -44.91 95.86 Favored 'General case' 0 C--N 1.363 1.184 0 CA-C-N 115.171 -0.922 . . . . 63.15 109.715 177.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 81.8 mm-40 -59.89 -44.72 94.05 Favored 'General case' 0 C--N 1.351 0.636 0 O-C-N 123.65 0.594 . . . . 73.53 112.12 -178.163 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 108' ' ' GLN . . . . . 0.481 ' HG2' ' O ' ' B' ' 104' ' ' LYS . 11.6 mm-40 -70.06 -52.65 22.2 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 123.108 0.255 . . . . 73.11 111.37 -172.569 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 10.4 mt -71.84 -36.17 57.38 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.857 0 O-C-N 123.628 0.58 . . . . 71.34 110.543 -173.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.63 -34.64 69.98 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 122.894 0.478 . . . . 74.2 109.957 178.115 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -62.37 -43.05 99.73 Favored 'General case' 0 N--CA 1.486 1.325 0 CA-C-O 120.902 0.382 . . . . 35.24 110.157 173.298 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -64.35 -42.4 96.25 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 115.083 -0.962 . . . . 71.5 109.515 177.018 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -59.92 -38.97 83.88 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 125.374 1.47 . . . . 55.45 111.206 178.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -62.96 -48.89 76.91 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.771 1.228 . . . . 75.24 110.415 175.144 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 11.6 ttpt -62.26 -39.83 94.2 Favored 'General case' 0 C--N 1.349 0.544 0 CA-C-N 115.186 -0.915 . . . . 74.31 110.289 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 116' ' ' LEU . . . . . 0.455 HD13 ' HB2' ' A' ' 16' ' ' LEU . 81.8 mt -66.01 -33.85 76.76 Favored 'General case' 0 C--N 1.349 0.556 0 CA-C-N 114.83 -1.077 . . . . 74.32 110.57 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 16.8 ttpt -69.88 -40.64 75.55 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.411 0.685 . . . . 72.33 110.534 177.491 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -70.77 -44.23 67.12 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.133 0.573 . . . . 73.25 110.888 -176.66 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -69.93 -40.96 75.2 Favored 'General case' 0 C--N 1.348 0.538 0 CA-C-N 115.565 -0.743 . . . . 74.33 110.804 -178.5 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 1.4 pp -67.25 -39.43 86.15 Favored 'General case' 0 C--N 1.362 1.133 0 N-CA-C 109.405 -0.591 . . . . 63.42 109.405 -178.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 121' ' ' HIS . . . . . 0.49 ' O ' ' HG2' ' B' ' 125' ' ' MET . 65.4 t60 -58.49 -43.44 89.0 Favored 'General case' 0 C--N 1.356 0.885 0 O-C-N 123.863 0.727 . . . . 72.41 109.615 178.733 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 122' ' ' ASP . . . . . 0.52 ' O ' ' HG3' ' B' ' 126' ' ' GLU . 26.6 t70 -59.9 -51.1 71.14 Favored 'General case' 0 C--N 1.355 0.826 0 O-C-N 124.371 1.045 . . . . 73.53 110.459 176.382 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 123' ' ' THR . . . . . 0.532 HG22 HG22 ' A' ' 23' ' ' THR . 5.0 m -63.43 -28.87 70.27 Favored 'General case' 0 CA--C 1.557 1.227 0 C-N-CA 123.72 0.808 . . . . 72.14 111.054 -177.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 124' ' ' ASN . . . . . 0.525 ' ND2' HG21 ' A' ' 23' ' ' THR . 0.9 OUTLIER -76.98 -35.47 57.17 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.724 0.81 . . . . 60.44 110.458 177.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 125' ' ' MET . . . . . 0.49 ' HG2' ' O ' ' B' ' 121' ' ' HIS . 85.1 mmm -61.94 -40.87 97.01 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.234 0.614 . . . . 75.44 110.947 174.044 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 126' ' ' GLU . . . . . 0.749 ' HB2' HD11 ' A' ' 27' ' ' LEU . 15.9 mt-10 -72.74 -33.38 66.34 Favored 'General case' 0 C--O 1.213 -0.839 0 O-C-N 123.822 0.701 . . . . 71.43 110.077 178.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 127' ' ' LEU . . . . . 0.588 HD22 HG23 ' A' ' 23' ' ' THR . 38.6 tp -64.83 -37.06 86.35 Favored 'General case' 0 CA--C 1.555 1.151 0 C-N-CA 122.977 0.511 . . . . 74.03 110.039 177.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 128' ' ' THR . . . . . . . . . . . . . 28.3 m -71.91 -39.48 69.5 Favored 'General case' 0 CA--C 1.561 1.379 0 C-N-CA 124.214 1.006 . . . . 73.4 110.529 175.091 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -62.93 -45.85 90.54 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.595 1.158 . . . . 54.41 110.649 178.091 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 130' ' ' LEU . . . . . 0.471 HD13 ' NE2' ' B' ' 133' ' ' GLN . 1.7 mm? -68.24 -44.52 75.5 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.063 -0.972 . . . . 70.3 110.751 -175.695 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 131' ' ' LYS . . . . . 0.475 ' HA ' HD12 ' B' ' 134' ' ' LEU . 0.0 OUTLIER -65.46 -29.86 70.58 Favored 'General case' 0 C--N 1.357 0.933 0 O-C-N 123.784 0.677 . . . . 74.21 110.628 -179.6 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 5.4 tt -64.3 -53.63 45.85 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.795 0.838 . . . . 71.12 110.715 174.177 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 133' ' ' GLN . . . . . 0.471 ' NE2' HD13 ' B' ' 130' ' ' LEU . 43.2 mt-30 -57.91 -37.24 73.67 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 115.579 -0.737 . . . . 71.55 109.827 177.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 134' ' ' LEU . . . . . 0.475 HD12 ' HA ' ' B' ' 131' ' ' LYS . 19.6 mt . . . . . 0 C--O 1.217 -0.624 0 CA-C-N 114.509 -1.223 . . . . 75.31 111.951 -178.088 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.134 0 N-CA-C 109.998 -0.371 . . . . 75.3 109.998 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.22 -27.8 60.96 Favored 'General case' 0 C--N 1.358 0.977 0 CA-C-O 119.103 -0.475 . . . . 74.32 110.09 177.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 25.3 tp -53.87 -46.2 71.24 Favored 'General case' 0 N--CA 1.487 1.382 0 CA-C-O 121.227 0.537 . . . . 72.22 110.093 177.587 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 21.9 t80 -54.63 -55.06 33.54 Favored 'General case' 0 C--N 1.35 0.592 0 CA-C-N 113.845 -1.525 . . . . 54.44 109.475 173.419 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -57.5 -31.32 65.9 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.754 1.222 . . . . 42.11 113.335 -177.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -66.49 -64.9 0.76 Allowed 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 122.963 0.505 . . . . 74.53 111.579 -178.472 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.493 HD11 ' CD2' ' B' ' 106' ' ' TYR . 17.8 mt -62.47 -40.17 87.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 CA-C-O 119.598 -0.239 . . . . 73.5 110.667 178.746 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.04 -28.32 68.77 Favored 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 123.728 0.811 . . . . 74.51 110.698 -177.247 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.47 -49.35 77.16 Favored 'General case' 0 N--CA 1.482 1.136 0 N-CA-C 109.584 -0.524 . . . . 74.42 109.584 173.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.478 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 3.1 tp10 -68.48 -37.65 80.33 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 114.932 -1.031 . . . . 74.52 111.015 177.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -71.73 -37.16 70.63 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 124.559 1.144 . . . . 70.3 110.333 -173.062 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.486 ' HA ' ' HE2' ' A' ' 17' ' ' LYS . 2.6 tt0 -64.87 -47.18 78.82 Favored 'General case' 0 C--O 1.243 0.718 0 C-N-CA 124.482 1.113 . . . . 73.1 109.982 174.28 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.7 ttpt -54.07 -42.52 69.38 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 124.185 0.928 . . . . 71.53 110.043 172.395 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' ' 12' ' ' GLU . 89.4 mt -65.37 -33.2 75.4 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.731 0.812 . . . . 73.21 111.333 -177.531 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.486 ' HE2' ' HA ' ' A' ' 14' ' ' GLU . 56.8 mtmt -69.54 -34.94 74.94 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 122.804 0.442 . . . . 71.15 110.693 174.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.401 ' O ' ' HB3' ' A' ' 21' ' ' HIS . . . -71.62 -55.0 8.58 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 115.896 -0.593 . . . . 62.14 110.417 -178.096 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -66.27 -32.78 74.39 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.608 0.763 . . . . 75.02 112.626 -176.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.59 -43.53 80.3 Favored 'General case' 0 C--N 1.357 0.919 0 N-CA-C 108.535 -0.913 . . . . 73.51 108.535 175.332 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.558 ' O ' ' HG3' ' A' ' 25' ' ' MET . 63.5 t60 -51.92 -55.91 17.39 Favored 'General case' 0 C--N 1.359 1.02 0 O-C-N 124.179 0.924 . . . . 72.31 109.627 178.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -60.28 -47.02 87.77 Favored 'General case' 0 N--CA 1.478 0.937 0 O-C-N 124.092 0.87 . . . . 75.35 112.241 -179.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.577 HG22 HG22 ' B' ' 123' ' ' THR . 20.4 m -67.45 -27.73 67.28 Favored 'General case' 0 N--CA 1.479 0.979 0 O-C-N 123.511 0.507 . . . . 62.23 111.231 -177.725 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.495 ' ND2' HG21 ' B' ' 123' ' ' THR . 1.0 OUTLIER -74.14 -45.7 47.14 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.459 0.703 . . . . 62.31 109.967 177.729 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.558 ' HG3' ' O ' ' A' ' 21' ' ' HIS . 46.0 mtm -54.89 -58.62 6.86 Favored 'General case' 0 C--N 1.363 1.168 0 C-N-CA 123.293 0.637 . . . . 75.32 110.683 173.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.456 ' HG2' ' HA ' ' A' ' 23' ' ' THR . 11.3 pt-20 -70.86 -18.64 62.69 Favored 'General case' 0 C--O 1.202 -1.443 0 CA-C-N 115.402 -0.817 . . . . 74.33 111.568 -173.112 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.493 HD11 ' HB2' ' B' ' 126' ' ' GLU . 7.1 tt -67.43 -52.34 40.73 Favored 'General case' 0 C--N 1.356 0.877 0 CA-C-N 118.773 0.715 . . . . 75.14 109.117 168.646 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 29.0 m -62.0 -41.16 97.76 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 123.3 0.64 . . . . 71.55 110.514 -177.149 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.506 ' O ' ' HG2' ' A' ' 33' ' ' GLN . 3.4 m-20 -61.64 -52.88 62.54 Favored 'General case' 0 C--N 1.349 0.547 0 C-N-CA 124.049 0.94 . . . . 72.34 110.511 172.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.423 ' HB2' ' O ' ' A' ' 26' ' ' GLU . 0.9 OUTLIER -56.29 -45.04 80.36 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 124.075 0.95 . . . . 73.32 111.862 -175.37 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.441 ' HE2' ' HB2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -70.97 -37.46 72.76 Favored 'General case' 0 C--O 1.242 0.667 0 O-C-N 123.874 0.734 . . . . 73.4 110.383 -177.932 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.7 tp -61.74 -58.69 7.04 Favored 'General case' 0 C--N 1.352 0.679 0 CA-C-N 115.387 -0.824 . . . . 74.25 109.738 -178.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.506 ' HG2' ' O ' ' A' ' 29' ' ' ASP . 6.2 pt20 -65.66 -33.54 76.14 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 123.464 0.706 . . . . 71.14 111.044 -178.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.498 HD23 HD22 ' B' ' 134' ' ' LEU . 1.6 tm? . . . . . 0 N--CA 1.481 1.083 0 C-N-CA 123.494 0.717 . . . . 65.11 109.416 -179.053 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 102' ' ' PHE . . . . . 0.479 ' O ' ' HG ' ' B' ' 105' ' ' LEU . 95.0 m-85 . . . . . 0 CA--C 1.552 1.027 0 CA-C-O 120.912 0.387 . . . . 75.13 111.045 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.38 -34.71 69.14 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-O 121.859 0.838 . . . . 65.45 110.219 177.182 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 104' ' ' LYS . . . . . 0.405 ' O ' ' HG2' ' B' ' 108' ' ' GLN . 0.1 OUTLIER -73.84 -31.64 63.3 Favored 'General case' 0 C--O 1.214 -0.792 0 CA-C-N 114.389 -1.278 . . . . 72.21 109.874 -178.061 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 105' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' B' ' 102' ' ' PHE . 0.5 OUTLIER -61.78 -41.04 97.21 Favored 'General case' 0 C--N 1.384 2.076 0 N-CA-C 108.287 -1.005 . . . . 64.0 108.287 176.748 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 106' ' ' TYR . . . . . 0.493 ' CD2' HD11 ' A' ' 9' ' ' ILE . 37.9 t80 -54.98 -49.36 71.64 Favored 'General case' 0 C--N 1.369 1.426 0 O-C-N 124.309 1.006 . . . . 72.52 109.651 176.017 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -64.52 -35.07 79.77 Favored 'General case' 0 CA--C 1.552 1.031 0 N-CA-C 113.157 0.799 . . . . 71.42 113.157 177.119 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 108' ' ' GLN . . . . . 0.405 ' HG2' ' O ' ' B' ' 104' ' ' LYS . 10.2 mm-40 -65.42 -57.67 7.75 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-N 118.691 0.678 . . . . 75.41 110.86 -178.246 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 15.2 mt -70.44 -37.27 69.86 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.703 0 CA-C-N 115.586 -0.733 . . . . 70.12 111.076 -174.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 110' ' ' LEU . . . . . 0.458 ' HA ' ' HB3' ' B' ' 113' ' ' ASN . 1.0 OUTLIER -71.25 -32.3 68.57 Favored 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 122.914 0.485 . . . . 74.24 110.707 179.568 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -65.04 -43.43 92.35 Favored 'General case' 0 N--CA 1.486 1.332 0 N-CA-C 109.805 -0.442 . . . . 71.13 109.805 174.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 112' ' ' GLU . . . . . 0.475 ' O ' ' HG ' ' B' ' 116' ' ' LEU . 52.9 tp10 -64.78 -40.4 95.2 Favored 'General case' 0 C--O 1.204 -1.324 0 CA-C-N 114.939 -1.028 . . . . 73.33 110.239 174.177 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 113' ' ' ASN . . . . . 0.458 ' HB3' ' HA ' ' B' ' 110' ' ' LEU . 23.5 t-20 -65.05 -39.84 93.87 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 125.012 1.325 . . . . 75.53 111.003 -177.525 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -67.89 -45.98 72.95 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.258 1.023 . . . . 64.53 110.013 176.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 28.7 ttpt -57.85 -44.86 86.83 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.638 -0.71 . . . . 72.51 110.025 175.372 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 116' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' B' ' 112' ' ' GLU . 76.1 mt -67.04 -29.0 68.68 Favored 'General case' 0 C--N 1.352 0.705 0 O-C-N 123.976 0.797 . . . . 73.43 110.127 -177.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.33 -44.17 79.76 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.931 0.892 . . . . 60.3 109.843 175.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -70.96 -45.93 63.25 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 115.097 -0.956 . . . . 72.23 111.288 -175.389 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? -69.03 -41.05 78.22 Favored 'General case' 0 C--N 1.351 0.644 0 C-N-CA 123.456 0.702 . . . . 74.24 111.278 -176.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.83 -41.14 92.16 Favored 'General case' 0 C--N 1.362 1.122 0 N-CA-C 109.674 -0.491 . . . . 64.22 109.674 179.466 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 22.7 t-160 -59.71 -45.93 90.63 Favored 'General case' 0 C--N 1.357 0.907 0 O-C-N 124.011 0.82 . . . . 71.4 108.911 179.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 122' ' ' ASP . . . . . 0.543 ' O ' ' HG3' ' B' ' 126' ' ' GLU . 16.0 t70 -59.23 -47.64 84.58 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 124.407 1.067 . . . . 65.14 110.077 176.459 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 123' ' ' THR . . . . . 0.577 HG22 HG22 ' A' ' 23' ' ' THR . 26.8 m -61.58 -35.84 78.97 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 124.381 1.072 . . . . 72.54 111.329 -177.777 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 124' ' ' ASN . . . . . 0.5 ' ND2' HG21 ' A' ' 23' ' ' THR . 1.6 m-80 -72.92 -34.2 66.44 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.266 0.626 . . . . 71.21 110.521 177.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 125' ' ' MET . . . . . . . . . . . . . 14.5 mmt -66.91 -41.72 86.61 Favored 'General case' 0 C--N 1.351 0.647 0 O-C-N 123.463 0.477 . . . . 51.34 110.639 176.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 126' ' ' GLU . . . . . 0.543 ' HG3' ' O ' ' B' ' 122' ' ' ASP . 19.6 mt-10 -62.72 -41.32 99.1 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 109.088 -0.708 . . . . 62.55 109.088 176.441 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 29.3 tp -67.69 -27.25 66.67 Favored 'General case' 0 CA--C 1.561 1.389 0 CA-C-N 114.965 -1.016 . . . . 71.44 111.078 176.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 128' ' ' THR . . . . . . . . . . . . . 91.7 m -68.43 -39.38 81.58 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 123.612 0.765 . . . . 65.21 109.992 174.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -57.65 -50.71 72.28 Favored 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 109.435 -0.58 . . . . 61.13 109.435 170.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 130' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' B' ' 126' ' ' GLU . 80.4 mt -62.28 -37.51 85.77 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.365 0.666 . . . . 74.45 112.47 -173.186 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 131' ' ' LYS . . . . . 0.484 ' HA ' ' HB2' ' B' ' 134' ' ' LEU . 0.0 OUTLIER -80.46 -25.0 39.14 Favored 'General case' 0 C--N 1.355 0.832 0 O-C-N 123.717 0.636 . . . . 70.41 111.401 -179.773 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 57.1 tp -68.62 -54.05 18.84 Favored 'General case' 0 N--CA 1.481 1.08 0 N-CA-C 109.085 -0.709 . . . . 62.3 109.085 173.165 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.84 -29.39 70.14 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.835 0.854 . . . . 72.23 111.24 175.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 134' ' ' LEU . . . . . 0.498 HD22 HD23 ' A' ' 34' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.479 0.996 0 C-N-CA 123.757 0.823 . . . . 72.12 109.268 178.466 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.294 0 CA-C-O 121.426 0.632 . . . . 74.1 110.886 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.4 ' O ' ' HG2' ' A' ' 8' ' ' GLN . 0.1 OUTLIER -83.8 -33.05 25.03 Favored 'General case' 0 C--O 1.21 -1.022 0 CA-C-N 115.256 -0.884 . . . . 73.34 110.478 -173.611 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.429 HD21 ' HD1' ' B' ' 106' ' ' TYR . 22.9 tp -66.54 -35.48 80.34 Favored 'General case' 0 N--CA 1.49 1.575 0 N-CA-C 109.091 -0.707 . . . . 71.13 109.091 179.411 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.527 ' HA ' HD11 ' B' ' 105' ' ' LEU . 25.8 t80 -55.88 -43.46 77.21 Favored 'General case' 0 C--O 1.215 -0.745 0 CA-C-N 114.248 -1.342 . . . . 73.21 109.301 172.692 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -69.85 -39.73 76.22 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 124.143 0.902 . . . . 72.33 112.863 175.224 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.4 ' HG2' ' O ' ' A' ' 4' ' ' LYS . 10.9 mm-40 -62.93 -61.5 2.35 Favored 'General case' 0 N--CA 1.491 1.614 0 CA-C-N 118.306 0.503 . . . . 70.54 111.262 -173.208 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.424 HD11 ' HD1' ' B' ' 106' ' ' TYR . 5.0 mt -58.36 -49.6 81.45 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.998 0 O-C-N 123.752 0.657 . . . . 73.33 111.235 177.588 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.582 ' HA ' ' HB3' ' A' ' 13' ' ' ASN . 14.4 tp -68.21 -23.41 64.82 Favored 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 113.062 0.764 . . . . 73.43 113.062 -175.285 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.18 -46.43 80.82 Favored 'General case' 0 N--CA 1.483 1.204 0 CA-C-O 121.252 0.549 . . . . 45.42 109.684 174.502 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.501 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 50.7 tp10 -66.43 -43.58 85.26 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 114.83 -1.077 . . . . 72.35 109.973 174.307 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.582 ' HB3' ' HA ' ' A' ' 10' ' ' LEU . 23.5 t-20 -61.31 -41.39 96.93 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 124.849 1.26 . . . . 73.23 111.859 -176.538 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -66.34 -48.14 71.2 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.208 1.003 . . . . 63.13 109.589 177.47 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 25.9 ttpt -55.37 -43.8 75.43 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 115.15 -0.932 . . . . 74.54 110.274 176.486 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 12' ' ' GLU . 82.7 mt -66.85 -32.24 73.38 Favored 'General case' 0 C--N 1.354 0.801 0 CA-C-N 115.111 -0.95 . . . . 62.12 110.821 -178.715 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.93 -37.71 86.74 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.57 0.748 . . . . 74.34 110.145 176.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.56 -55.11 7.42 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 115.001 -1.0 . . . . 65.35 110.819 -176.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -66.18 -33.96 76.94 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 115.525 -0.762 . . . . 72.01 112.215 -177.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.447 ' HB3' HE22 ' B' ' 119' ' ' GLN . 1.3 pp -66.31 -46.47 76.8 Favored 'General case' 0 N--CA 1.483 1.175 0 N-CA-C 109.482 -0.562 . . . . 73.41 109.482 176.568 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.415 ' O ' ' HG2' ' A' ' 25' ' ' MET . 27.5 t-80 -58.98 -41.48 87.67 Favored 'General case' 0 C--N 1.355 0.825 0 O-C-N 124.333 1.021 . . . . 72.15 108.994 -177.766 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -66.6 -42.12 87.4 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 114.671 -1.149 . . . . 61.02 111.544 -179.38 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.476 HG21 ' ND2' ' B' ' 124' ' ' ASN . 6.9 m -71.28 -31.96 68.11 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 122.824 0.45 . . . . 70.11 110.567 179.777 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.557 ' ND2' HG21 ' B' ' 123' ' ' THR . 1.1 m-80 -73.94 -39.49 63.73 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.153 0.581 . . . . 75.13 110.089 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.415 ' HG2' ' O ' ' A' ' 21' ' ' HIS . 26.5 mmt -62.23 -52.59 63.15 Favored 'General case' 0 C--N 1.35 0.607 0 C-N-CA 122.688 0.395 . . . . 72.45 110.779 177.386 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -70.46 -21.19 62.82 Favored 'General case' 0 C--O 1.214 -0.781 0 CA-C-O 119.256 -0.402 . . . . 73.24 111.658 -179.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.1 tt -64.23 -44.03 93.14 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 109.255 -0.646 . . . . 71.11 109.255 169.075 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 25.6 m -62.13 -47.02 86.42 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.259 0.624 . . . . 64.55 110.526 178.548 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.53 ' O ' ' HG2' ' A' ' 33' ' ' GLN . 16.6 m-20 -59.1 -52.85 63.97 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 115.4 -0.818 . . . . 75.31 110.106 176.558 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.479 HD13 HE21 ' A' ' 33' ' ' GLN . 1.7 mm? -58.62 -50.38 74.06 Favored 'General case' 0 C--N 1.355 0.823 0 O-C-N 124.096 0.873 . . . . 73.2 111.392 -175.035 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.417 ' HE2' ' HB2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -66.82 -33.93 76.69 Favored 'General case' 0 N--CA 1.48 1.067 0 O-C-N 123.585 0.553 . . . . 71.34 111.335 -175.456 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.4 tt -63.86 -58.47 6.71 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.743 0.817 . . . . 61.44 110.184 -179.538 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.53 ' HG2' ' O ' ' A' ' 29' ' ' ASP . 12.1 pt20 -66.21 -37.6 85.96 Favored 'General case' 0 C--O 1.251 1.169 0 CA-C-N 115.94 -0.573 . . . . 75.5 110.799 -178.238 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.5 tm? . . . . . 0 C--N 1.351 0.648 0 C-N-CA 124.462 1.105 . . . . 75.53 109.689 -177.979 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 102' ' ' PHE . . . . . . . . . . . . . 62.9 t80 . . . . . 0 C--O 1.243 0.757 0 N-CA-C 111.695 0.258 . . . . 70.01 111.695 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 103' ' ' LYS . . . . . 0.434 ' H ' ' HD2' ' B' ' 103' ' ' LYS . 0.0 OUTLIER -66.49 -45.29 80.12 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-O 120.988 0.423 . . . . 73.21 109.95 179.327 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 104' ' ' LYS . . . . . 0.472 ' O ' ' HG2' ' B' ' 108' ' ' GLN . 0.0 OUTLIER -72.34 -33.99 67.71 Favored 'General case' 0 C--O 1.215 -0.724 0 CA-C-N 115.375 -0.83 . . . . 64.23 109.869 -176.587 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 105' ' ' LEU . . . . . 0.527 HD11 ' HA ' ' A' ' 6' ' ' TYR . 2.3 tp -53.54 -54.03 43.14 Favored 'General case' 0 C--O 1.252 1.231 0 C-N-CA 123.603 0.761 . . . . 72.41 109.653 175.761 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 106' ' ' TYR . . . . . 0.429 ' HD1' HD21 ' A' ' 5' ' ' LEU . 17.1 t80 -60.23 -40.21 89.37 Favored 'General case' 0 C--O 1.212 -0.871 0 O-C-N 124.335 1.022 . . . . 74.2 109.25 -177.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -63.76 -44.42 93.5 Favored 'General case' 0 C--O 1.219 -0.523 0 N-CA-C 112.321 0.489 . . . . 70.54 112.321 178.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 108' ' ' GLN . . . . . 0.472 ' HG2' ' O ' ' B' ' 104' ' ' LYS . 10.2 mm-40 -68.36 -66.2 0.6 Allowed 'General case' 0 N--CA 1.483 1.204 0 CA-C-N 117.957 0.344 . . . . 71.51 110.852 -173.63 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 16.8 mt -68.66 -37.79 78.07 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.157 0 CA-C-O 119.069 -0.491 . . . . 74.35 111.391 -172.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -71.48 -36.49 71.16 Favored 'General case' 0 N--CA 1.5 2.031 0 CA-C-N 118.481 0.582 . . . . 74.41 111.014 -178.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -61.62 -42.12 98.45 Favored 'General case' 0 N--CA 1.485 1.324 0 CA-C-N 118.241 0.473 . . . . 64.54 110.028 175.515 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 112' ' ' GLU . . . . . 0.526 ' O ' ' HG ' ' B' ' 116' ' ' LEU . 25.0 tp10 -67.47 -40.01 85.3 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 115.112 -0.949 . . . . 75.13 110.629 177.196 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -66.08 -36.53 83.44 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 124.691 1.196 . . . . 71.33 110.579 -176.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -65.41 -47.15 77.26 Favored 'General case' 0 C--O 1.24 0.578 0 CA-C-N 114.258 -1.337 . . . . 54.14 109.912 174.507 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 9.7 ttpt -57.78 -38.87 76.21 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 115.612 -0.722 . . . . 71.32 110.113 175.356 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 116' ' ' LEU . . . . . 0.526 ' HG ' ' O ' ' B' ' 112' ' ' GLU . 98.3 mt -67.87 -33.46 74.79 Favored 'General case' 0 C--N 1.359 1.001 0 C-N-CA 123.582 0.753 . . . . 74.33 111.326 179.655 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -64.45 -43.61 93.72 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 123.461 0.704 . . . . 65.41 110.669 176.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -75.57 -41.32 55.02 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 114.816 -1.084 . . . . 72.2 111.166 -174.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 119' ' ' GLN . . . . . 0.447 HE22 ' HB3' ' A' ' 20' ' ' LEU . 5.4 pp0? -69.98 -37.94 75.88 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 116.535 -0.302 . . . . 73.32 110.784 -178.683 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.13 -44.34 80.09 Favored 'General case' 0 C--N 1.363 1.175 0 N-CA-C 109.406 -0.59 . . . . 62.51 109.406 -178.64 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 121' ' ' HIS . . . . . 0.483 ' O ' ' HG3' ' B' ' 125' ' ' MET . 55.8 t60 -61.26 -44.24 97.56 Favored 'General case' 0 C--N 1.356 0.874 0 O-C-N 124.17 0.919 . . . . 73.23 109.256 -179.758 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 122' ' ' ASP . . . . . 0.454 ' O ' ' HG3' ' B' ' 126' ' ' GLU . 19.9 t70 -61.66 -44.35 97.14 Favored 'General case' 0 N--CA 1.477 0.921 0 O-C-N 124.466 1.104 . . . . 70.14 111.161 178.054 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 123' ' ' THR . . . . . 0.557 HG21 ' ND2' ' A' ' 24' ' ' ASN . 70.4 m -64.3 -35.35 80.56 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.758 0.823 . . . . 60.21 110.528 179.313 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 124' ' ' ASN . . . . . 0.476 ' ND2' HG21 ' A' ' 23' ' ' THR . 0.9 OUTLIER -67.09 -38.75 86.23 Favored 'General case' 0 C--O 1.22 -0.462 0 CA-C-N 115.428 -0.805 . . . . 65.43 109.7 176.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 125' ' ' MET . . . . . 0.483 ' HG3' ' O ' ' B' ' 121' ' ' HIS . 32.5 mtm -62.37 -37.78 87.05 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.04 0.536 . . . . 74.55 111.771 174.123 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 126' ' ' GLU . . . . . 0.454 ' HG3' ' O ' ' B' ' 122' ' ' ASP . 22.8 mt-10 -68.56 -40.59 80.53 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-O 121.143 0.497 . . . . 53.54 109.937 177.385 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 127' ' ' LEU . . . . . 0.417 HD22 HG23 ' A' ' 23' ' ' THR . 42.4 tp -65.79 -35.94 82.12 Favored 'General case' 0 CA--C 1.551 0.982 0 CA-C-N 115.52 -0.763 . . . . 72.13 110.65 177.083 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 128' ' ' THR . . . . . 0.4 ' HA ' ' HB3' ' B' ' 131' ' ' LYS . 15.0 m -76.4 -24.36 54.07 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.562 0.745 . . . . 33.44 110.225 177.614 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 129' ' ' ASP . . . . . 0.44 ' O ' ' HG3' ' B' ' 133' ' ' GLN . 16.0 t70 -68.25 -48.55 64.77 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.648 0.779 . . . . 74.14 109.995 174.057 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 130' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' B' ' 126' ' ' GLU . 63.4 mt -64.54 -36.67 84.97 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.833 0.853 . . . . 74.15 110.761 178.29 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 131' ' ' LYS . . . . . 0.4 ' HB3' ' HA ' ' B' ' 128' ' ' THR . 24.0 tptp -58.47 -47.66 83.32 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.311 1.444 . . . . 75.11 110.582 172.203 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 50.1 tp -68.25 -38.71 82.08 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.313 0.645 . . . . 75.33 110.915 -179.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 133' ' ' GLN . . . . . 0.44 ' HG3' ' O ' ' B' ' 129' ' ' ASP . 42.7 mt-30 -71.05 -27.79 63.9 Favored 'General case' 0 C--O 1.218 -0.577 0 CA-C-N 116.312 -0.404 . . . . 74.21 110.807 179.532 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 11.5 tp . . . . . 0 N--CA 1.478 0.972 0 C-N-CA 123.151 0.58 . . . . 65.24 111.209 -175.433 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.149 0 CA-C-O 120.905 0.383 . . . . 72.53 110.022 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.44 ' O ' ' HG2' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -78.37 -30.56 48.02 Favored 'General case' 0 C--O 1.21 -1.008 0 N-CA-C 109.073 -0.714 . . . . 71.31 109.073 179.391 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 43.3 tp -53.22 -45.27 68.61 Favored 'General case' 0 N--CA 1.493 1.721 0 C-N-CA 123.139 0.576 . . . . 73.42 110.208 175.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.451 ' HA ' HD13 ' B' ' 105' ' ' LEU . 20.0 t80 -54.53 -52.13 63.0 Favored 'General case' 0 C--N 1.349 0.574 0 O-C-N 124.835 1.334 . . . . 61.34 109.797 175.016 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -62.49 -34.19 76.36 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 124.567 1.167 . . . . 64.31 113.393 -177.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.44 ' HG2' ' O ' ' A' ' 4' ' ' LYS . 12.9 mm-40 -67.24 -56.9 7.91 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 122.804 0.442 . . . . 70.41 110.657 -176.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.423 ' H ' HG13 ' A' ' 9' ' ' ILE . 2.3 mt -60.41 -46.16 95.59 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.905 0 O-C-N 123.85 0.719 . . . . 73.23 110.769 177.198 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.04 -31.78 72.53 Favored 'General case' 0 N--CA 1.493 1.69 0 C-N-CA 124.497 1.119 . . . . 45.41 111.495 -173.801 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.11 -39.19 72.23 Favored 'General case' 0 N--CA 1.483 1.19 0 N-CA-C 109.756 -0.461 . . . . 71.25 109.756 176.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.442 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 30.6 tp10 -72.52 -29.63 63.77 Favored 'General case' 0 CA--C 1.547 0.865 0 CA-C-N 115.697 -0.683 . . . . 53.24 110.573 175.016 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -74.49 -40.56 61.74 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 124.475 1.11 . . . . 73.13 109.622 -178.08 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -62.23 -46.44 88.86 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.818 1.247 . . . . 54.43 109.458 171.642 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.3 ttpt -56.51 -46.03 80.75 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 124.284 0.99 . . . . 72.53 110.205 178.585 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.485 ' HB3' ' HB3' ' B' ' 116' ' ' LEU . 89.2 mt -66.96 -30.88 71.13 Favored 'General case' 0 N--CA 1.48 1.056 0 O-C-N 124.127 0.892 . . . . 72.01 111.596 -179.08 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.587 ' HA ' HD23 ' A' ' 20' ' ' LEU . 0.3 OUTLIER -69.96 -35.09 74.2 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 123.428 0.691 . . . . 74.41 109.618 174.398 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.64 -53.95 9.27 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.39 0.676 . . . . 73.5 110.313 -175.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -67.32 -27.84 67.49 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 123.701 0.801 . . . . 75.32 112.15 -178.43 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.587 HD23 ' HA ' ' A' ' 17' ' ' LYS . 0.4 OUTLIER -65.58 -44.71 85.82 Favored 'General case' 0 N--CA 1.481 1.107 0 N-CA-C 108.754 -0.832 . . . . 65.11 108.754 171.615 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -59.07 -38.41 79.37 Favored 'General case' 0 C--N 1.358 0.959 0 O-C-N 123.638 0.586 . . . . 71.52 110.446 -179.122 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -62.71 -54.82 33.52 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 123.764 0.665 . . . . 71.32 110.54 174.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.503 HG21 ' ND2' ' B' ' 124' ' ' ASN . 7.2 m -67.05 -28.52 68.28 Favored 'General case' 0 N--CA 1.482 1.131 0 O-C-N 123.643 0.59 . . . . 75.32 112.064 -175.096 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.506 ' ND2' HG21 ' B' ' 123' ' ' THR . 0.9 OUTLIER -75.18 -48.9 21.33 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.566 0.746 . . . . 54.22 110.212 -178.411 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 9.8 mmt -62.9 -44.56 95.76 Favored 'General case' 0 C--N 1.351 0.648 0 CA-C-N 115.757 -0.656 . . . . 74.21 111.123 178.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.446 ' HG2' ' HA ' ' A' ' 23' ' ' THR . 11.8 pt-20 -75.8 -28.03 58.19 Favored 'General case' 0 C--O 1.205 -1.242 0 CA-C-O 118.605 -0.712 . . . . 74.14 110.814 -176.727 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 63.4 tp -61.06 -48.65 80.77 Favored 'General case' 0 C--N 1.359 1.0 0 CA-C-N 118.461 0.573 . . . . 64.22 110.181 170.371 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 24.1 m -64.17 -38.9 92.7 Favored 'General case' 0 CA--C 1.546 0.819 0 O-C-N 123.818 0.699 . . . . 75.11 110.499 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.42 ' O ' ' HG2' ' A' ' 33' ' ' GLN . 16.7 t70 -65.65 -45.74 81.86 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.581 1.152 . . . . 65.31 110.498 177.236 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.5 HD12 ' NE2' ' A' ' 33' ' ' GLN . 15.0 tp -71.21 -36.01 71.74 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.35 1.06 . . . . 64.4 109.984 -173.283 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.49 -28.94 37.39 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.599 0.76 . . . . 72.4 109.965 -177.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.2 tt -65.97 -52.71 47.2 Favored 'General case' 0 C--N 1.345 0.386 0 C-N-CA 123.622 0.769 . . . . 62.11 109.017 178.121 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.5 ' NE2' HD12 ' A' ' 30' ' ' LEU . 6.3 pt20 -69.34 -32.62 71.83 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-N 115.969 -0.559 . . . . 73.13 110.683 178.42 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 19.7 tp . . . . . 0 N--CA 1.49 1.561 0 O-C-N 123.981 0.801 . . . . 72.41 110.356 176.076 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 102' ' ' PHE . . . . . 0.505 ' O ' ' HG ' ' B' ' 105' ' ' LEU . 94.8 m-85 . . . . . 0 N--CA 1.476 0.827 0 CA-C-O 121.09 0.472 . . . . 65.43 112.239 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 103' ' ' LYS . . . . . 0.443 ' H ' ' HD2' ' B' ' 103' ' ' LYS . 0.0 OUTLIER -59.84 -32.28 70.53 Favored 'General case' 0 N--CA 1.479 1.025 0 CA-C-O 121.45 0.643 . . . . 54.21 109.939 178.284 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 104' ' ' LYS . . . . . 0.452 ' O ' ' HG2' ' B' ' 108' ' ' GLN . 0.0 OUTLIER -76.98 -27.73 54.85 Favored 'General case' 0 C--O 1.209 -1.029 0 CA-C-N 114.949 -1.023 . . . . 74.42 109.652 -179.462 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 105' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' B' ' 102' ' ' PHE . 0.6 OUTLIER -61.29 -39.55 90.85 Favored 'General case' 0 C--N 1.378 1.838 0 N-CA-C 107.77 -1.196 . . . . 40.21 107.77 175.036 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 106' ' ' TYR . . . . . 0.446 ' O ' ' HB2' ' B' ' 110' ' ' LEU . 32.9 t80 -55.93 -52.6 63.57 Favored 'General case' 0 C--N 1.368 1.41 0 O-C-N 124.662 1.226 . . . . 74.34 108.887 174.208 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -59.53 -39.11 82.87 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.011 0.924 . . . . 75.54 113.038 -178.374 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 108' ' ' GLN . . . . . 0.452 ' HG2' ' O ' ' B' ' 104' ' ' LYS . 8.7 mm-40 -66.84 -61.59 1.88 Allowed 'General case' 0 N--CA 1.483 1.215 0 CA-C-O 120.815 0.341 . . . . 75.03 110.566 -176.025 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 11.7 mt -68.77 -34.49 65.0 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.901 0 CA-C-N 115.293 -0.867 . . . . 64.21 110.903 -173.532 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 110' ' ' LEU . . . . . 0.446 ' HB2' ' O ' ' B' ' 106' ' ' TYR . 0.6 OUTLIER -69.4 -36.57 76.87 Favored 'General case' 0 N--CA 1.492 1.638 0 C-N-CA 123.849 0.86 . . . . 74.55 110.377 179.443 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.72 -41.81 95.69 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 122.736 0.414 . . . . 71.22 110.429 174.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -67.9 -36.51 80.34 Favored 'General case' 0 CA--C 1.559 1.292 0 CA-C-N 115.559 -0.746 . . . . 65.42 110.274 175.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -70.94 -35.9 72.4 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 125.045 1.338 . . . . 73.12 109.892 -177.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -61.66 -50.57 71.98 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.623 1.169 . . . . 74.52 109.271 173.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 15.7 ttpt -57.43 -46.08 83.95 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 124.597 1.186 . . . . 75.13 110.143 179.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 116' ' ' LEU . . . . . 0.485 ' HB3' ' HB3' ' A' ' 16' ' ' LEU . 93.5 mt -67.85 -29.11 68.16 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 115.594 -0.73 . . . . 65.15 111.694 -178.807 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 117' ' ' LYS . . . . . 0.548 ' HA ' HD23 ' B' ' 120' ' ' LEU . 0.2 OUTLIER -71.51 -38.81 71.08 Favored 'General case' 0 CA--C 1.555 1.136 0 N-CA-C 108.716 -0.846 . . . . 74.44 108.716 176.106 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -73.04 -44.59 60.56 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.256 1.022 . . . . 71.03 111.575 -175.055 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 119' ' ' GLN . . . . . 0.435 HE22 ' HB3' ' A' ' 20' ' ' LEU . 5.0 pp0? -72.06 -36.09 69.48 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 115.664 -0.698 . . . . 73.15 111.029 -177.261 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 120' ' ' LEU . . . . . 0.548 HD23 ' HA ' ' B' ' 117' ' ' LYS . 0.5 OUTLIER -64.27 -41.96 96.67 Favored 'General case' 0 C--N 1.362 1.15 0 N-CA-C 109.483 -0.562 . . . . 63.54 109.483 175.705 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 9.8 t-80 -52.73 -48.38 66.74 Favored 'General case' 0 C--N 1.36 1.024 0 O-C-N 124.178 0.924 . . . . 73.55 109.991 176.116 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 122' ' ' ASP . . . . . 0.472 ' O ' ' HG2' ' B' ' 126' ' ' GLU . 76.4 m-20 -63.41 -48.78 76.38 Favored 'General case' 0 CA--C 1.537 0.447 0 O-C-N 124.309 1.006 . . . . 71.41 111.42 -179.631 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 123' ' ' THR . . . . . 0.506 HG21 ' ND2' ' A' ' 24' ' ' ASN . 10.2 m -67.54 -28.5 67.86 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.375 0.67 . . . . 74.2 111.528 -176.665 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 124' ' ' ASN . . . . . 0.503 ' ND2' HG21 ' A' ' 23' ' ' THR . 1.2 m-80 -74.78 -36.02 62.54 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.089 0.556 . . . . 64.24 109.773 176.061 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 125' ' ' MET . . . . . . . . . . . . . 92.4 mmm -68.22 -32.88 73.39 Favored 'General case' 0 C--N 1.358 0.96 0 C-N-CA 123.131 0.573 . . . . 73.41 111.325 172.167 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 126' ' ' GLU . . . . . 0.472 ' HG2' ' O ' ' B' ' 122' ' ' ASP . 23.3 mm-40 -64.06 -40.91 97.3 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 109.568 -0.53 . . . . 74.01 109.568 173.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 9.2 tt -73.3 -30.87 63.69 Favored 'General case' 0 CA--C 1.553 1.061 0 O-C-N 124.247 0.967 . . . . 63.35 110.625 179.275 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 128' ' ' THR . . . . . . . . . . . . . 87.0 m -67.23 -48.28 68.26 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-O 121.635 0.731 . . . . 54.35 109.822 175.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 129' ' ' ASP . . . . . 0.435 ' O ' ' HG3' ' B' ' 133' ' ' GLN . 25.1 t70 -61.74 -36.13 80.11 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 114.532 -1.213 . . . . 75.14 109.94 175.296 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 130' ' ' LEU . . . . . 0.496 HD12 ' HG ' ' A' ' 30' ' ' LEU . 0.3 OUTLIER -65.95 -51.94 54.14 Favored 'General case' 0 C--N 1.342 0.272 0 CA-C-N 115.509 -0.769 . . . . 74.14 110.517 -176.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.61 -25.47 65.77 Favored 'General case' 0 CA--C 1.551 0.99 0 O-C-N 123.485 0.491 . . . . 60.31 110.689 -176.468 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 57.1 tp -66.09 -52.74 45.98 Favored 'General case' 0 CA--C 1.559 1.31 0 CA-C-N 115.878 -0.601 . . . . 73.4 109.937 170.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 133' ' ' GLN . . . . . 0.435 ' HG3' ' O ' ' B' ' 129' ' ' ASP . 47.5 mt-30 -58.27 -32.83 68.76 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 123.304 0.642 . . . . 61.33 110.982 174.399 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 10.9 tp . . . . . 0 N--CA 1.47 0.535 0 C-N-CA 124.798 1.239 . . . . 65.32 109.812 -171.6 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 . . . . . 0 N--CA 1.479 0.992 0 CA-C-O 119.512 -0.28 . . . . 61.15 111.565 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.515 ' HD1' HD22 ' A' ' 5' ' ' LEU . 49.8 m-85 -55.33 -12.82 1.14 Allowed 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 115.983 1.846 . . . . 71.32 115.983 -172.561 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.468 ' HD3' ' H ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -67.28 -35.23 79.06 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 118.617 0.644 . . . . 71.32 109.948 178.724 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.468 ' H ' ' HD3' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -72.8 -35.44 67.36 Favored 'General case' 0 C--O 1.209 -1.078 0 CA-C-O 118.464 -0.779 . . . . 63.14 109.825 175.205 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.515 HD22 ' HD1' ' A' ' 2' ' ' PHE . 15.1 tp -50.06 -49.19 52.06 Favored 'General case' 0 N--CA 1.492 1.637 0 C-N-CA 123.464 0.706 . . . . 72.21 110.355 -178.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 27.4 t80 -57.04 -55.7 31.3 Favored 'General case' 0 C--N 1.35 0.615 0 CA-C-N 113.771 -1.559 . . . . 74.23 110.694 174.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.5 mm-40 -63.75 -30.63 71.7 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 113.389 0.885 . . . . 63.41 113.389 -173.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.468 ' HG2' ' O ' ' A' ' 4' ' ' LYS . 7.3 mm-40 -69.02 -59.22 3.19 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 109.74 -0.467 . . . . 65.53 109.74 -176.295 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.528 HD11 ' CD1' ' B' ' 106' ' ' TYR . 9.9 mt -62.58 -41.8 93.48 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.078 0 C-N-CA 120.685 -0.406 . . . . 63.31 111.57 176.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.81 -33.85 76.52 Favored 'General case' 0 N--CA 1.492 1.657 0 C-N-CA 123.576 0.75 . . . . 63.4 111.382 -175.553 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.22 -37.32 80.72 Favored 'General case' 0 N--CA 1.481 1.121 0 N-CA-C 109.915 -0.402 . . . . 72.04 109.915 176.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -70.56 -36.57 73.71 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-N 115.972 -0.558 . . . . 74.03 109.711 175.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -65.2 -36.01 82.85 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 125.625 1.57 . . . . 74.23 109.66 178.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -65.03 -51.49 61.31 Favored 'General case' 0 C--N 1.353 0.722 0 C-N-CA 125.37 1.468 . . . . 71.11 110.243 174.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.7 ttpt -55.85 -47.56 77.06 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 124.141 0.9 . . . . 70.2 109.495 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.406 ' HB3' ' HB3' ' B' ' 116' ' ' LEU . 84.5 mt -61.42 -35.78 78.51 Favored 'General case' 0 C--N 1.352 0.715 0 O-C-N 124.846 1.341 . . . . 64.34 111.804 178.482 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.481 ' HA ' HD23 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -66.0 -39.98 90.76 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 123.11 0.564 . . . . 70.01 110.491 178.192 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.29 -57.98 3.96 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 115.45 -0.795 . . . . 54.3 110.204 -175.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.12 -33.34 73.22 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.772 0.829 . . . . 63.44 112.503 -177.185 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.481 HD23 ' HA ' ' A' ' 17' ' ' LYS . 0.8 OUTLIER -65.85 -44.55 85.13 Favored 'General case' 0 C--N 1.36 1.023 0 N-CA-C 108.958 -0.756 . . . . 64.43 108.958 177.244 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.473 ' O ' ' HG3' ' A' ' 25' ' ' MET . 31.9 t60 -59.25 -43.39 92.44 Favored 'General case' 0 C--N 1.361 1.086 0 O-C-N 124.169 0.918 . . . . 72.34 109.794 -178.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -62.65 -40.92 98.57 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 124.133 0.896 . . . . 73.43 111.264 176.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.556 HG21 ' ND2' ' B' ' 124' ' ' ASN . 30.3 m -70.02 -28.72 65.71 Favored 'General case' 0 C--N 1.356 0.87 0 O-C-N 123.622 0.576 . . . . 54.41 110.904 178.57 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.477 ' ND2' HG21 ' B' ' 123' ' ' THR . 0.9 OUTLIER -70.14 -52.59 22.36 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.277 0.631 . . . . 71.44 109.902 177.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.473 ' HG3' ' O ' ' A' ' 21' ' ' HIS . 37.4 mtp -62.96 -39.52 94.91 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.437 0.695 . . . . 73.44 112.452 179.357 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.506 ' HG2' ' HA ' ' A' ' 23' ' ' THR . 13.5 pt-20 -78.25 -24.32 46.94 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-O 119.424 -0.322 . . . . 74.5 110.37 -179.536 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.44 ' O ' ' HB3' ' A' ' 31' ' ' LYS . 41.8 tp -70.94 -40.85 71.82 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 109.451 -0.574 . . . . 63.13 109.451 171.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 71.2 m -67.31 -33.52 75.46 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 123.436 0.694 . . . . 61.14 110.151 177.268 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -62.57 -60.8 3.01 Favored 'General case' 0 C--N 1.357 0.93 0 N-CA-C 109.03 -0.73 . . . . 75.14 109.03 171.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.508 ' HA ' HE21 ' A' ' 33' ' ' GLN . 2.7 mm? -52.58 -44.0 65.63 Favored 'General case' 0 C--N 1.363 1.165 0 O-C-N 124.984 1.428 . . . . 74.41 111.421 -176.247 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.44 ' HB3' ' O ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -63.49 -51.37 65.88 Favored 'General case' 0 C--O 1.25 1.087 0 C-N-CA 125.185 1.394 . . . . 74.5 110.164 -178.512 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 66.8 tp -56.34 -64.46 0.86 Allowed 'General case' 0 C--N 1.351 0.642 0 O-C-N 124.717 1.26 . . . . 53.41 110.258 -176.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.508 HE21 ' HA ' ' A' ' 30' ' ' LEU . 1.3 pt20 -60.45 -39.35 87.22 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.799 0.84 . . . . 73.2 112.455 -177.774 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.529 HD23 HD22 ' B' ' 134' ' ' LEU . 1.3 tm? -52.69 -61.1 2.5 Favored 'General case' 0 N--CA 1.485 1.289 0 CA-C-O 118.713 -0.66 . . . . 74.43 110.362 -175.322 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -69.3 -26.06 64.55 Favored 'General case' 0 C--N 1.354 0.773 0 O-C-N 126.367 2.292 . . . . 74.11 111.767 -176.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -65.17 -13.74 58.9 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 123.199 0.599 . . . . 74.43 110.773 168.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 82.39 61.1 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 126.117 1.767 . . . . 55.22 108.175 174.047 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.464 HG22 ' HA ' ' A' ' 34' ' ' LEU . 9.6 t -70.81 174.67 5.76 Favored 'General case' 0 N--CA 1.495 1.809 0 CA-C-N 113.049 -1.887 . . . . 75.13 113.24 -174.48 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -118.18 -50.26 2.47 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 124.153 0.981 . . . . 54.55 110.14 171.241 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -143.3 154.06 43.4 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.965 0.906 . . . . 52.01 110.408 -172.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.49 ' NE2' HE22 ' A' ' 33' ' ' GLN . 0.0 OUTLIER -136.92 166.77 22.85 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 124.211 1.005 . . . . 42.44 109.892 173.924 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -106.87 -32.63 7.84 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.632 0.773 . . . . 75.54 110.447 178.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 72.1 mtp180 59.4 -79.6 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 125.314 1.446 . . . . 61.2 112.026 -178.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 89.8 t80 . . . . . 0 N--CA 1.473 0.676 0 C-N-CA 124.807 1.243 . . . . 74.32 109.089 176.761 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 . . . . . 0 CA--C 1.539 0.543 0 CA-C-O 121.059 0.457 . . . . 60.34 110.578 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 102' ' ' PHE . . . . . 0.459 ' O ' ' HG ' ' B' ' 105' ' ' LEU . 91.6 m-85 -106.02 -17.85 14.21 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 124.233 1.013 . . . . 73.03 110.344 177.237 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 103' ' ' LYS . . . . . 0.502 ' HD3' ' N ' ' B' ' 104' ' ' LYS . 0.0 OUTLIER -57.73 -31.83 66.84 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 123.297 0.639 . . . . 74.32 110.011 178.075 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 104' ' ' LYS . . . . . 0.502 ' N ' ' HD3' ' B' ' 103' ' ' LYS . 0.0 OUTLIER -75.09 -36.88 61.68 Favored 'General case' 0 C--O 1.214 -0.815 0 CA-C-N 114.127 -1.397 . . . . 61.53 110.141 -177.891 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' B' ' 102' ' ' PHE . 0.7 OUTLIER -61.47 -40.98 96.49 Favored 'General case' 0 C--N 1.375 1.674 0 N-CA-C 108.266 -1.012 . . . . 74.42 108.266 -179.879 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 106' ' ' TYR . . . . . 0.528 ' CD1' HD11 ' A' ' 9' ' ' ILE . 40.6 t80 -56.46 -50.98 70.14 Favored 'General case' 0 C--N 1.37 1.461 0 CA-C-N 114.769 -1.105 . . . . 73.14 109.355 174.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -63.24 -40.06 96.38 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.119 0.968 . . . . 71.21 112.97 -177.273 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 108' ' ' GLN . . . . . 0.478 ' HG2' ' O ' ' B' ' 104' ' ' LYS . 11.2 mm-40 -68.53 -56.82 7.04 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 122.661 0.384 . . . . 72.12 110.545 -174.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 17.5 mt -67.17 -38.25 80.75 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.848 0 CA-C-N 115.647 -0.706 . . . . 72.5 110.86 -175.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -69.19 -38.09 78.47 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 123.488 0.715 . . . . 64.41 110.513 -179.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -61.42 -43.73 98.37 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 122.664 0.386 . . . . 71.35 110.318 175.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 112' ' ' GLU . . . . . 0.434 ' O ' ' HG ' ' B' ' 116' ' ' LEU . 42.7 tp10 -66.6 -40.09 88.69 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 114.9 -1.046 . . . . 71.51 110.746 175.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -65.55 -41.32 93.15 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 125.096 1.358 . . . . 73.14 110.711 -176.157 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -59.9 -50.27 74.45 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.456 1.102 . . . . 73.12 109.927 172.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 23.6 ttpt -58.14 -38.74 77.14 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 114.945 -1.025 . . . . 54.13 110.613 178.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 116' ' ' LEU . . . . . 0.45 ' HA ' ' HG3' ' B' ' 119' ' ' GLN . 89.6 mt -69.05 -31.07 69.58 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.539 0.736 . . . . 73.02 111.241 -178.461 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . 0.539 ' HA ' HD23 ' B' ' 120' ' ' LEU . 0.3 OUTLIER -68.28 -39.48 82.1 Favored 'General case' 0 CA--C 1.557 1.248 0 C-N-CA 123.736 0.814 . . . . 54.12 109.123 175.183 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -75.41 -44.12 46.33 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.593 0.757 . . . . 74.43 111.497 -176.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 119' ' ' GLN . . . . . 0.45 ' HG3' ' HA ' ' B' ' 116' ' ' LEU . 5.2 pp0? -70.63 -36.06 73.25 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.353 0.661 . . . . 64.34 110.564 -176.171 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 120' ' ' LEU . . . . . 0.539 HD23 ' HA ' ' B' ' 117' ' ' LYS . 0.7 OUTLIER -63.5 -45.88 88.63 Favored 'General case' 0 C--N 1.36 1.063 0 N-CA-C 108.238 -1.023 . . . . 75.41 108.238 176.289 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 121' ' ' HIS . . . . . 0.508 ' O ' ' HG2' ' B' ' 125' ' ' MET . 23.9 t-80 -59.9 -38.72 83.08 Favored 'General case' 0 C--N 1.362 1.11 0 O-C-N 124.248 0.967 . . . . 73.32 110.447 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 122' ' ' ASP . . . . . 0.446 ' O ' ' HG3' ' B' ' 126' ' ' GLU . 38.6 t70 -64.83 -45.53 85.77 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.043 0.937 . . . . 73.14 110.383 179.624 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 123' ' ' THR . . . . . 0.492 HG22 HG22 ' A' ' 23' ' ' THR . 18.4 m -69.18 -28.36 66.34 Favored 'General case' 0 CA--C 1.557 1.214 0 C-N-CA 124.237 1.015 . . . . 71.22 110.758 177.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 124' ' ' ASN . . . . . 0.556 ' ND2' HG21 ' A' ' 23' ' ' THR . 0.9 OUTLIER -72.04 -39.16 69.29 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.711 0.804 . . . . 75.44 110.506 175.678 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 125' ' ' MET . . . . . 0.508 ' HG2' ' O ' ' B' ' 121' ' ' HIS . 90.1 mmm -63.42 -38.67 92.03 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.104 0.562 . . . . 74.23 111.044 178.127 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 126' ' ' GLU . . . . . 0.446 ' HG3' ' O ' ' B' ' 122' ' ' ASP . 24.2 mt-10 -63.66 -46.95 83.28 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 109.314 -0.625 . . . . 74.41 109.314 173.769 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 127' ' ' LEU . . . . . 0.448 HD22 HG23 ' A' ' 23' ' ' THR . 44.4 tp -61.31 -31.28 71.13 Favored 'General case' 0 CA--C 1.557 1.219 0 C-N-CA 123.96 0.904 . . . . 71.01 111.576 179.122 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 128' ' ' THR . . . . . 0.529 ' HA ' ' HG3' ' B' ' 131' ' ' LYS . 62.5 m -78.85 -33.75 45.62 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 123.728 0.811 . . . . 73.35 110.221 179.111 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 129' ' ' ASP . . . . . 0.434 ' O ' ' HG3' ' B' ' 133' ' ' GLN . 19.3 t70 -63.52 -39.61 94.87 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.335 0.654 . . . . 72.44 109.267 171.27 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -73.54 -34.77 65.37 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.809 0.843 . . . . 75.45 112.648 -176.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 131' ' ' LYS . . . . . 0.529 ' HG3' ' HA ' ' B' ' 128' ' ' THR . 0.1 OUTLIER -74.34 -28.34 61.09 Favored 'General case' 0 N--CA 1.49 1.535 0 CA-C-N 118.432 0.56 . . . . 72.54 110.366 175.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 51.3 tp -68.77 -51.4 41.58 Favored 'General case' 0 C--N 1.352 0.691 0 O-C-N 123.837 0.711 . . . . 73.41 110.16 175.043 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 133' ' ' GLN . . . . . 0.434 ' HG3' ' O ' ' B' ' 129' ' ' ASP . 41.4 mt-30 -58.92 -32.13 69.28 Favored 'General case' 0 C--N 1.354 0.802 0 C-N-CA 122.933 0.493 . . . . 75.01 110.58 175.72 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 134' ' ' LEU . . . . . 0.529 HD22 HD23 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -59.51 -60.35 3.98 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.238 1.015 . . . . 60.24 109.873 -178.926 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 135' ' ' GLU . . . . . 0.424 ' HB3' ' HD3' ' B' ' 140' ' ' ARG . 10.9 pt-20 -67.45 -14.24 62.75 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-N 115.057 -0.974 . . . . 62.5 111.989 -178.166 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 60.9 mtpt -86.47 -36.62 18.94 Favored 'General case' 0 CA--C 1.555 1.151 0 N-CA-C 112.068 0.395 . . . . 71.31 112.068 170.263 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -72.52 -29.72 63.85 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 123.8 0.84 . . . . 74.43 110.636 -178.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 138' ' ' THR . . . . . 0.488 HG23 ' H ' ' B' ' 140' ' ' ARG . 15.4 t -152.33 -171.56 3.97 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 115.006 -0.997 . . . . 74.55 109.178 -172.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -74.45 -30.74 61.99 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.435 0.694 . . . . 74.33 110.433 176.489 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 140' ' ' ARG . . . . . 0.488 ' H ' HG23 ' B' ' 138' ' ' THR . 37.0 ttp180 68.97 162.83 0.22 Allowed 'General case' 0 N--CA 1.492 1.639 0 C-N-CA 125.161 1.385 . . . . 73.22 110.665 -176.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -70.96 136.18 48.31 Favored 'General case' 0 CA--C 1.554 1.113 0 N-CA-C 108.509 -0.923 . . . . 64.41 108.509 170.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -108.06 62.78 0.61 Allowed 'General case' 0 N--CA 1.483 1.216 0 CA-C-O 122.01 0.91 . . . . 71.33 110.406 -173.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 70.0 mtm180 -74.57 -35.42 63.04 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 114.842 -1.072 . . . . 75.15 110.19 174.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 144' ' ' PHE . . . . . . . . . . . . . 75.9 t80 . . . . . 0 C--O 1.25 1.085 0 C-N-CA 124.459 1.103 . . . . 74.53 108.364 170.808 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 . . . . . 0 N--CA 1.473 0.695 0 CA-C-O 120.406 0.146 . . . . 61.4 110.799 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.48 ' HD1' HD22 ' A' ' 5' ' ' LEU . 40.4 m-85 -72.77 -1.39 16.36 Favored 'General case' 0 N--CA 1.483 1.194 0 N-CA-C 113.703 1.001 . . . . 62.34 113.703 -175.29 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.596 ' HD3' ' H ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -65.02 -35.38 81.01 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.045 0.538 . . . . 64.54 110.247 176.846 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.596 ' H ' ' HD3' ' A' ' 3' ' ' LYS . 1.5 ptmt -81.81 -25.23 35.37 Favored 'General case' 0 C--O 1.213 -0.828 0 CA-C-N 115.31 -0.859 . . . . 70.21 110.802 -179.221 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.48 HD22 ' HD1' ' A' ' 2' ' ' PHE . 14.8 tp -56.33 -47.54 78.56 Favored 'General case' 0 C--O 1.258 1.54 0 CA-C-O 121.882 0.849 . . . . 53.41 109.161 175.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 22.4 t80 -54.24 -57.07 12.57 Favored 'General case' 0 C--N 1.351 0.661 0 CA-C-N 113.023 -1.899 . . . . 75.31 110.148 173.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' A' ' 3' ' ' LYS . 60.4 mm-40 -65.52 -32.06 73.46 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 113.948 1.092 . . . . 72.02 113.948 -170.76 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.41 ' HG2' ' O ' ' A' ' 4' ' ' LYS . 4.8 mm-40 -67.11 -52.11 45.91 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 122.668 0.387 . . . . 74.11 111.604 -178.705 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.495 HD11 ' CD1' ' B' ' 106' ' ' TYR . 17.7 mt -65.84 -40.54 87.89 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.925 0 C-N-CA 120.576 -0.45 . . . . 62.54 110.283 173.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.86 -25.68 67.31 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 123.769 0.828 . . . . 72.34 111.077 -177.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.69 -51.14 45.0 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.211 0.604 . . . . 71.01 109.811 175.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.461 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 34.4 tp10 -62.26 -34.4 76.48 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 115.393 -0.821 . . . . 75.0 110.077 174.571 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -66.62 -44.89 80.82 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 124.951 1.3 . . . . 53.14 110.787 -177.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -61.5 -49.08 78.18 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.785 0.834 . . . . 73.43 109.741 175.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 25.2 ttpt -55.85 -45.5 78.45 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 114.825 -1.08 . . . . 75.1 110.519 179.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 12' ' ' GLU . 87.4 mt -70.71 -29.38 65.64 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 115.359 -0.837 . . . . 42.3 111.074 -177.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.404 ' HA ' HD23 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -67.32 -37.14 82.83 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 123.713 0.633 . . . . 70.11 110.0 175.616 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.28 -52.99 9.54 Favored 'General case' 0 C--N 1.349 0.558 0 CA-C-N 114.981 -1.009 . . . . 65.43 110.987 -174.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.5 pp0? -67.19 -30.74 70.77 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-O 118.548 -0.739 . . . . 55.33 111.681 -178.15 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 17' ' ' LYS . 0.5 OUTLIER -68.38 -45.92 71.44 Favored 'General case' 0 N--CA 1.485 1.323 0 N-CA-C 109.214 -0.661 . . . . 73.44 109.214 174.792 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 65.1 t60 -56.06 -46.31 78.98 Favored 'General case' 0 N--CA 1.476 0.842 0 O-C-N 124.139 0.9 . . . . 64.35 109.492 178.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -64.48 -47.3 79.47 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 114.055 -1.43 . . . . 72.3 110.841 -179.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.61 HG22 HG22 ' B' ' 123' ' ' THR . 47.1 m -71.05 -26.5 63.11 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 122.713 0.405 . . . . 74.25 111.214 -177.76 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.553 ' ND2' HG21 ' B' ' 123' ' ' THR . 1.3 m-80 -72.69 -41.2 65.58 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 122.641 0.376 . . . . 65.41 110.098 176.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 12.3 mmt -68.86 -39.45 79.87 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 122.874 0.47 . . . . 64.12 111.364 -179.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.546 ' HG2' ' HA ' ' A' ' 23' ' ' THR . 16.5 pt-20 -79.61 -21.41 44.96 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-O 119.449 -0.31 . . . . 65.23 110.656 179.429 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.7 tt -65.51 -54.4 28.74 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.617 0.767 . . . . 64.11 109.023 169.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 18.4 m -58.59 -37.97 76.93 Favored 'General case' 0 C--O 1.248 1.014 0 C-N-CA 123.869 0.868 . . . . 71.25 110.483 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.481 ' O ' ' HG2' ' A' ' 33' ' ' GLN . 15.8 t70 -63.7 -54.1 40.85 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 114.847 -1.069 . . . . 62.34 109.846 175.396 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.513 HD22 HD12 ' B' ' 127' ' ' LEU . 1.6 mp -60.47 -35.91 77.01 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 123.984 0.802 . . . . 60.31 112.081 -172.272 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.445 ' HE2' ' HB2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -78.93 -33.55 45.32 Favored 'General case' 0 N--CA 1.479 1.014 0 O-C-N 123.499 0.5 . . . . 73.32 111.266 -179.682 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 56.6 tp -62.47 -57.13 12.32 Favored 'General case' 0 C--N 1.353 0.728 0 C-N-CA 123.014 0.526 . . . . 63.33 109.609 177.285 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.481 ' HG2' ' O ' ' A' ' 29' ' ' ASP . 8.1 pt20 -63.84 -34.04 77.04 Favored 'General case' 0 CA--C 1.551 1.005 0 CA-C-N 115.619 -0.718 . . . . 74.21 110.893 179.141 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.534 HD13 HD23 ' B' ' 134' ' ' LEU . 24.3 tp -47.31 -60.57 2.41 Favored 'General case' 0 C--N 1.365 1.271 0 C-N-CA 124.226 1.011 . . . . 73.43 110.669 177.631 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -70.87 -24.79 62.57 Favored 'General case' 0 C--N 1.359 1.011 0 O-C-N 126.125 2.141 . . . . 74.22 111.943 -177.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -68.56 -9.27 48.38 Favored 'General case' 0 N--CA 1.497 1.917 0 C-N-CA 122.696 0.398 . . . . 64.25 110.733 167.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 81.97 57.58 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 126.416 1.886 . . . . 75.14 108.595 171.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.446 ' CG2' HD22 ' B' ' 134' ' ' LEU . 5.5 t -84.8 173.7 10.45 Favored 'General case' 0 N--CA 1.484 1.251 0 CA-C-N 113.981 -1.463 . . . . 71.13 112.914 -170.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.446 ' HG3' ' H ' ' A' ' 40' ' ' ARG . 0.7 OUTLIER -121.52 -62.2 1.44 Allowed 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 113.383 -1.735 . . . . 74.25 108.68 174.037 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.446 ' H ' ' HG3' ' A' ' 39' ' ' GLN . 24.5 ttp180 -101.86 158.59 16.02 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.818 0.847 . . . . 64.32 110.308 -173.638 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.468 ' HB3' HE22 ' A' ' 33' ' ' GLN . 5.0 pm0 -103.42 -99.29 0.3 Allowed 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 123.284 0.634 . . . . 72.12 109.887 169.509 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -174.47 -47.36 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 123.206 0.602 . . . . 72.34 110.206 -172.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.6 -39.53 73.72 Favored 'General case' 0 N--CA 1.491 1.62 0 C-N-CA 124.015 0.926 . . . . 75.54 112.091 -171.684 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 50.3 t80 . . . . . 0 N--CA 1.474 0.739 0 CA-C-N 115.002 -0.999 . . . . 72.43 109.138 170.752 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 . . . . . 0 N--CA 1.471 0.583 0 CA-C-O 121.138 0.494 . . . . 61.32 111.559 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 102' ' ' PHE . . . . . 0.544 ' HD2' HD23 ' B' ' 105' ' ' LEU . 94.0 m-85 -95.16 -10.53 30.27 Favored 'General case' 0 C--O 1.247 0.94 0 C-N-CA 123.792 0.837 . . . . 64.15 111.817 177.459 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.13 -38.28 73.23 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-O 121.32 0.581 . . . . 73.43 109.948 175.649 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 104' ' ' LYS . . . . . 0.446 ' O ' ' HG2' ' B' ' 108' ' ' GLN . 0.0 OUTLIER -68.43 -41.44 80.34 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-N 114.831 -1.077 . . . . 75.4 110.463 -179.625 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . 0.544 HD23 ' HD2' ' B' ' 102' ' ' PHE . 0.5 OUTLIER -58.69 -44.03 90.14 Favored 'General case' 0 C--N 1.366 1.323 0 N-CA-C 108.991 -0.744 . . . . 60.51 108.991 -176.192 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 106' ' ' TYR . . . . . 0.495 ' CD1' HD11 ' A' ' 9' ' ' ILE . 37.0 t80 -57.62 -51.85 67.82 Favored 'General case' 0 C--N 1.361 1.071 0 O-C-N 124.614 1.196 . . . . 75.43 110.023 178.069 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -65.18 -38.08 89.37 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 113.186 0.81 . . . . 51.25 113.186 -176.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 108' ' ' GLN . . . . . 0.446 ' HG2' ' O ' ' B' ' 104' ' ' LYS . 9.1 mm-40 -66.98 -54.98 16.54 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 122.651 0.38 . . . . 54.52 110.758 -175.608 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 18.0 mt -65.69 -38.34 82.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 CA-C-N 116.446 -0.343 . . . . 72.52 110.443 -179.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.73 -31.46 70.54 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.208 0.603 . . . . 74.05 110.51 179.699 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.88 -46.84 80.09 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 122.678 0.391 . . . . 75.31 110.13 175.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 112' ' ' GLU . . . . . 0.49 ' O ' ' HG ' ' B' ' 116' ' ' LEU . 42.4 tp10 -62.52 -44.9 95.22 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.113 0.565 . . . . 72.52 109.852 174.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -66.0 -37.14 85.16 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 124.74 1.216 . . . . 75.23 110.895 -175.042 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -60.73 -48.9 79.71 Favored 'General case' 0 C--O 1.251 1.155 0 C-N-CA 125.019 1.328 . . . . 72.41 109.547 174.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 30.1 ttpt -58.25 -44.17 88.2 Favored 'General case' 0 C--N 1.347 0.457 0 CA-C-N 114.592 -1.185 . . . . 74.23 109.704 175.153 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 116' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' B' ' 112' ' ' GLU . 92.6 mt -61.97 -32.01 72.41 Favored 'General case' 0 C--N 1.355 0.826 0 O-C-N 124.039 0.837 . . . . 75.32 111.44 -175.158 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . 0.621 ' HA ' HD23 ' B' ' 120' ' ' LEU . 54.9 mtmt -75.56 -38.79 58.98 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 116.183 -0.462 . . . . 73.15 110.706 177.676 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -72.25 -40.48 67.66 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 122.907 0.483 . . . . 44.31 111.489 -178.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -75.87 -36.93 59.36 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.486 0.714 . . . . 72.3 110.341 -176.468 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 120' ' ' LEU . . . . . 0.621 HD23 ' HA ' ' B' ' 117' ' ' LYS . 0.4 OUTLIER -65.88 -43.23 88.91 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 109.055 -0.72 . . . . 74.25 109.055 176.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 51.0 t-80 -60.98 -40.19 92.49 Favored 'General case' 0 C--N 1.349 0.584 0 O-C-N 124.161 0.913 . . . . 73.35 109.797 -177.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 122' ' ' ASP . . . . . 0.467 ' O ' ' HG3' ' B' ' 126' ' ' GLU . 11.5 t70 -64.06 -48.56 75.78 Favored 'General case' 0 CA--C 1.551 0.982 0 O-C-N 124.324 1.015 . . . . 72.23 109.901 176.402 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 123' ' ' THR . . . . . 0.61 HG22 HG22 ' A' ' 23' ' ' THR . 55.4 m -63.31 -33.47 75.59 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 124.467 1.107 . . . . 70.31 111.417 -179.324 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 124' ' ' ASN . . . . . 0.572 ' ND2' HG21 ' A' ' 23' ' ' THR . 1.0 OUTLIER -78.4 -32.46 48.77 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.555 0.742 . . . . 75.11 109.748 -177.669 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 125' ' ' MET . . . . . . . . . . . . . 84.0 mmm -65.4 -38.0 88.66 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.22 0.608 . . . . 62.12 111.283 171.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 126' ' ' GLU . . . . . 0.467 ' HG3' ' O ' ' B' ' 122' ' ' ASP . 29.9 mt-10 -63.81 -47.52 80.5 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 109.347 -0.612 . . . . 73.04 109.347 174.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 127' ' ' LEU . . . . . 0.552 HD22 HG23 ' A' ' 23' ' ' THR . 44.4 tp -58.67 -43.78 90.01 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 124.337 1.055 . . . . 71.12 111.659 178.517 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 128' ' ' THR . . . . . . . . . . . . . 89.3 m -64.62 -38.88 92.51 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.698 0.799 . . . . 64.13 110.299 178.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 129' ' ' ASP . . . . . 0.459 ' O ' ' HG3' ' B' ' 133' ' ' GLN . 35.6 t70 -67.85 -36.77 80.91 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 114.828 -1.078 . . . . 52.11 110.375 177.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 130' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' B' ' 126' ' ' GLU . 80.7 mt -68.66 -47.57 66.2 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.559 0.744 . . . . 73.24 110.942 -177.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 131' ' ' LYS . . . . . 0.527 ' O ' ' HG3' ' B' ' 135' ' ' GLU . 0.1 OUTLIER -61.28 -40.39 93.97 Favored 'General case' 0 N--CA 1.483 1.189 0 N-CA-C 108.419 -0.956 . . . . 71.33 108.419 178.689 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 1.3 tt -59.84 -38.98 83.59 Favored 'General case' 0 C--O 1.246 0.875 0 C-N-CA 125.291 1.436 . . . . 73.12 111.213 176.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 133' ' ' GLN . . . . . 0.459 ' HG3' ' O ' ' B' ' 129' ' ' ASP . 45.9 mt-30 -72.96 -26.39 61.35 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 115.887 -0.597 . . . . 73.1 111.179 176.722 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 134' ' ' LEU . . . . . 0.534 HD23 HD13 ' A' ' 34' ' ' LEU . 15.0 mt -67.86 -35.12 77.99 Favored 'General case' 0 N--CA 1.5 2.058 0 N-CA-C 109.51 -0.552 . . . . 72.32 109.51 175.64 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 135' ' ' GLU . . . . . 0.527 ' HG3' ' O ' ' B' ' 131' ' ' LYS . 14.8 mt-10 -66.98 -38.27 85.75 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-N 114.444 -1.253 . . . . 62.44 109.566 177.614 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 59.1 mttm -70.03 -36.67 75.23 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 114.516 -1.22 . . . . 71.21 112.069 173.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -65.2 -52.41 54.98 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 123.739 0.816 . . . . 71.42 110.95 -172.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 138' ' ' THR . . . . . . . . . . . . . 70.5 p -124.91 -69.09 0.81 Allowed 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 115.613 -0.721 . . . . 72.14 109.092 176.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -178.85 -27.28 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 125.665 1.586 . . . . 65.11 109.798 -177.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 140' ' ' ARG . . . . . 0.554 ' HG2' ' H ' ' B' ' 142' ' ' GLU . 41.2 ttt-85 66.44 159.48 0.13 Allowed 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 125.07 1.348 . . . . 71.23 111.814 -178.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 27.1 pt20 -55.18 -34.53 63.93 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.907 0.883 . . . . 74.35 111.738 171.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 142' ' ' GLU . . . . . 0.554 ' H ' ' HG2' ' B' ' 140' ' ' ARG . 12.3 pt-20 46.68 27.23 0.63 Allowed 'General case' 0 N--CA 1.495 1.802 0 C-N-CA 126.252 1.821 . . . . 74.12 113.885 176.33 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 55.3 mtp180 -73.04 -61.51 1.79 Allowed 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 108.429 -0.952 . . . . 70.3 108.429 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 144' ' ' PHE . . . . . . . . . . . . . 65.7 t80 . . . . . 0 C--O 1.246 0.876 0 N-CA-C 106.384 -1.71 . . . . 75.21 106.384 165.311 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.448 ' O ' ' HG3' ' A' ' 4' ' ' LYS . 2.9 m-20 . . . . . 0 N--CA 1.484 1.244 0 N-CA-C 112.016 0.376 . . . . 62.12 112.016 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.485 ' HD1' HD22 ' A' ' 5' ' ' LEU . 54.4 m-85 -80.45 -18.89 47.41 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 113.601 0.963 . . . . 72.24 113.601 -172.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.56 -42.37 87.18 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 109.5 -0.556 . . . . 73.51 109.5 174.508 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' A' ' 1' ' ' ASP . 0.0 OUTLIER -82.22 -25.78 33.87 Favored 'General case' 0 C--O 1.212 -0.875 0 CA-C-N 115.599 -0.728 . . . . 72.11 110.369 -179.331 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.485 HD22 ' HD1' ' A' ' 2' ' ' PHE . 16.5 tp -52.21 -46.26 65.57 Favored 'General case' 0 N--CA 1.493 1.697 0 CA-C-O 121.386 0.612 . . . . 64.53 110.573 174.026 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -56.95 -53.87 53.07 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-N 113.9 -1.5 . . . . 64.04 109.622 173.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -57.24 -31.78 65.88 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 124.703 1.201 . . . . 72.21 113.066 -178.282 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.436 ' HG2' ' O ' ' A' ' 4' ' ' LYS . 12.0 mm-40 -65.6 -69.99 0.26 Allowed 'General case' 0 N--CA 1.481 1.121 0 O-C-N 123.353 0.408 . . . . 74.32 111.153 -179.166 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.429 HD11 ' CE2' ' B' ' 106' ' ' TYR . 22.6 mt -59.81 -36.62 67.29 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 O-C-N 123.517 0.511 . . . . 71.22 110.863 -178.311 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.5 -31.79 72.17 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.485 0.714 . . . . 75.22 110.8 -179.184 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.99 -47.43 86.47 Favored 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 109.842 -0.429 . . . . 65.32 109.842 176.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.456 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 30.2 tp10 -74.5 -32.05 62.38 Favored 'General case' 0 C--O 1.215 -0.725 0 CA-C-N 115.593 -0.73 . . . . 65.34 110.795 178.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -66.49 -49.86 65.18 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.985 0.914 . . . . 64.1 110.357 -177.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -54.01 -48.07 70.84 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.758 1.223 . . . . 62.15 110.449 171.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.8 ttpt -60.84 -42.01 96.94 Favored 'General case' 0 C--N 1.348 0.536 0 O-C-N 124.238 0.961 . . . . 63.52 110.911 -179.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' A' ' 12' ' ' GLU . 79.2 mt -68.11 -29.15 68.0 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.446 0.699 . . . . 65.4 110.893 -178.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.438 ' HE3' ' HB3' ' A' ' 17' ' ' LYS . 0.7 OUTLIER -74.79 -31.65 61.79 Favored 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 123.523 0.729 . . . . 65.23 110.42 173.665 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.41 ' O ' ' HB3' ' A' ' 21' ' ' HIS . . . -74.63 -44.82 48.65 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.392 0.677 . . . . 72.35 110.701 -178.386 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -77.05 -28.6 54.84 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.572 0.749 . . . . 71.5 111.755 -178.51 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.423 ' HB3' HE22 ' B' ' 119' ' ' GLN . 1.0 OUTLIER -65.61 -40.73 92.97 Favored 'General case' 0 C--N 1.364 1.219 0 N-CA-C 108.291 -1.003 . . . . 72.13 108.291 172.295 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.41 ' HB3' ' O ' ' A' ' 18' ' ' ALA . 29.5 t60 -54.21 -49.37 69.57 Favored 'General case' 0 C--N 1.357 0.932 0 O-C-N 124.124 0.89 . . . . 73.31 109.945 176.245 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -53.3 -56.19 18.57 Favored 'General case' 0 N--CA 1.479 0.976 0 O-C-N 123.849 0.718 . . . . 71.42 111.182 177.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.633 HG22 HG22 ' B' ' 123' ' ' THR . 41.7 m -70.5 -27.61 64.33 Favored 'General case' 0 CA--C 1.548 0.869 0 O-C-N 124.012 0.82 . . . . 75.05 112.3 -173.552 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.551 ' ND2' HG21 ' B' ' 123' ' ' THR . 1.0 OUTLIER -70.3 -46.26 64.64 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 123.057 0.543 . . . . 71.04 109.771 177.834 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 32.8 mmt -66.17 -52.46 48.0 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 115.381 -0.827 . . . . 73.23 110.897 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.553 ' HG2' ' HA ' ' A' ' 23' ' ' THR . 13.3 pt-20 -69.35 -18.72 63.83 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 122.674 0.39 . . . . 73.3 111.443 -177.734 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.45 ' HB2' ' O ' ' A' ' 23' ' ' THR . 7.7 tt -67.13 -48.17 68.9 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 108.893 -0.78 . . . . 55.25 108.893 169.644 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 35.0 m -59.42 -40.76 87.73 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 123.91 0.884 . . . . 71.44 110.013 -179.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -58.04 -58.48 8.22 Favored 'General case' 0 C--N 1.348 0.523 0 CA-C-N 115.064 -0.971 . . . . 74.45 110.522 170.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.573 ' O ' ' HB2' ' A' ' 34' ' ' LEU . 2.2 mm? -61.34 -31.39 71.26 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.866 0.866 . . . . 74.3 112.7 -171.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.0 -34.01 26.42 Favored 'General case' 0 N--CA 1.483 1.175 0 CA-C-N 118.41 0.55 . . . . 72.43 110.181 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.507 ' HG ' ' HE2' ' A' ' 36' ' ' LYS . 55.7 tp -64.27 -52.56 58.01 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 123.358 0.663 . . . . 73.54 110.074 178.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.617 ' HB2' HG21 ' A' ' 38' ' ' THR . 1.0 OUTLIER -69.63 -32.01 70.46 Favored 'General case' 0 C--O 1.252 1.199 0 CA-C-N 115.421 -0.809 . . . . 75.24 111.107 179.63 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.573 ' HB2' ' O ' ' A' ' 30' ' ' LEU . 2.9 tm? -50.78 -61.69 2.06 Favored 'General case' 0 C--N 1.359 1.0 0 O-C-N 123.563 0.54 . . . . 53.21 109.707 177.273 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -73.27 -18.37 61.22 Favored 'General case' 0 C--N 1.363 1.171 0 O-C-N 126.989 2.681 . . . . 63.45 112.283 -173.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.507 ' HE2' ' HG ' ' A' ' 32' ' ' LEU . 66.9 mttm -63.62 -18.52 64.01 Favored 'General case' 0 N--CA 1.492 1.657 0 CA-C-O 121.04 0.448 . . . . 75.21 110.159 163.329 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 82.7 44.13 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 125.97 1.708 . . . . 74.34 107.427 171.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.617 HG21 ' HB2' ' A' ' 33' ' ' GLN . 1.4 t -94.46 178.66 5.54 Favored 'General case' 0 N--CA 1.497 1.914 0 CA-C-N 114.546 -1.206 . . . . 71.12 113.435 -164.666 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -102.5 -44.73 5.27 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.898 1.279 . . . . 73.34 111.483 174.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.493 ' HA ' HE21 ' B' ' 141' ' ' GLN . 32.9 ttm180 -137.15 151.39 48.76 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.118 0.567 . . . . 62.11 111.608 -169.587 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.51 ' N ' HE21 ' A' ' 41' ' ' GLN . 0.0 OUTLIER -110.42 168.75 9.22 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.812 1.245 . . . . 74.22 109.393 173.174 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -77.8 -11.05 59.85 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.703 0.801 . . . . 71.42 111.592 176.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 44.1 mtm-85 69.26 -71.46 0.12 Allowed 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 125.879 1.671 . . . . 70.11 111.766 172.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 74.2 t80 . . . . . 0 N--CA 1.471 0.623 0 C-N-CA 123.354 0.662 . . . . 53.43 109.879 177.991 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 . . . . . 0 CA--C 1.536 0.44 0 CA-C-O 120.68 0.276 . . . . 63.41 110.973 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 102' ' ' PHE . . . . . 0.435 ' HD2' HD23 ' B' ' 105' ' ' LEU . 96.2 m-85 -105.7 -13.34 15.59 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.738 0.815 . . . . 63.52 110.949 175.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 103' ' ' LYS . . . . . 0.425 ' HD3' ' H ' ' B' ' 104' ' ' LYS . 0.0 OUTLIER -57.4 -31.67 66.07 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-O 121.761 0.791 . . . . 64.31 110.288 176.036 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 104' ' ' LYS . . . . . 0.428 ' O ' ' HG2' ' B' ' 108' ' ' GLN . 0.0 OUTLIER -70.65 -39.2 73.75 Favored 'General case' 0 C--O 1.214 -0.778 0 CA-C-N 114.208 -1.36 . . . . 74.43 110.599 178.303 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . 0.435 HD23 ' HD2' ' B' ' 102' ' ' PHE . 0.5 OUTLIER -59.73 -41.4 90.8 Favored 'General case' 0 C--N 1.375 1.715 0 N-CA-C 108.637 -0.875 . . . . 72.3 108.637 -178.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 106' ' ' TYR . . . . . 0.429 ' CE2' HD11 ' A' ' 9' ' ' ILE . 34.3 t80 -55.73 -51.79 66.14 Favored 'General case' 0 C--N 1.357 0.904 0 O-C-N 124.907 1.379 . . . . 75.0 109.297 176.614 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -64.64 -36.37 84.03 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 113.428 0.899 . . . . 73.31 113.428 -178.219 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 108' ' ' GLN . . . . . 0.428 ' HG2' ' O ' ' B' ' 104' ' ' LYS . 9.1 mm-40 -66.74 -59.14 3.83 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 122.717 0.407 . . . . 74.12 110.698 -175.618 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . 0.406 HG22 HG22 ' A' ' 9' ' ' ILE . 18.5 mt -63.7 -36.89 78.14 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.812 0 O-C-N 123.943 0.777 . . . . 74.34 110.259 -177.515 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -68.79 -36.78 78.69 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 123.597 0.759 . . . . 60.3 110.628 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -61.61 -43.45 98.84 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 122.605 0.362 . . . . 63.2 110.551 177.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 112' ' ' GLU . . . . . 0.463 ' O ' ' HG ' ' B' ' 116' ' ' LEU . 6.3 tp10 -66.45 -45.07 81.03 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 115.381 -0.827 . . . . 62.34 110.371 175.705 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -61.01 -35.8 77.81 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 124.903 1.281 . . . . 54.13 110.822 -177.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 114' ' ' GLU . . . . . 0.698 ' HA ' ' HE2' ' B' ' 117' ' ' LYS . 2.6 tt0 -64.77 -50.71 65.73 Favored 'General case' 0 C--O 1.25 1.087 0 C-N-CA 124.794 1.237 . . . . 54.12 110.043 177.445 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 23.9 ttpt -54.92 -41.58 71.18 Favored 'General case' 0 C--N 1.349 0.576 0 O-C-N 124.237 0.961 . . . . 75.41 110.02 174.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 116' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' B' ' 112' ' ' GLU . 93.7 mt -66.0 -32.25 73.62 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 115.252 -0.886 . . . . 54.3 112.036 -176.12 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . 0.698 ' HE2' ' HA ' ' B' ' 114' ' ' GLU . 46.4 mtmt -66.04 -45.32 81.84 Favored 'General case' 0 N--CA 1.482 1.138 0 CA-C-O 121.277 0.56 . . . . 64.31 110.116 174.61 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -67.99 -48.76 64.89 Favored 'General case' 0 C--O 1.241 0.64 0 CA-C-N 115.299 -0.864 . . . . 42.54 111.102 -175.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 119' ' ' GLN . . . . . 0.423 HE22 ' HB3' ' A' ' 20' ' ' LEU . 5.1 pp0? -66.96 -37.09 83.63 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 123.457 0.703 . . . . 73.13 111.155 -175.415 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 1.1 pp -64.89 -42.08 95.08 Favored 'General case' 0 C--N 1.36 1.053 0 N-CA-C 109.351 -0.611 . . . . 63.4 109.351 178.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 121' ' ' HIS . . . . . 0.508 ' O ' ' HG2' ' B' ' 125' ' ' MET . 34.5 t-80 -60.22 -42.51 95.34 Favored 'General case' 0 C--N 1.358 0.965 0 O-C-N 124.008 0.817 . . . . 72.51 109.961 179.106 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -61.47 -48.81 79.41 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 124.03 0.932 . . . . 72.11 111.149 178.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 123' ' ' THR . . . . . 0.633 HG22 HG22 ' A' ' 23' ' ' THR . 17.8 m -63.84 -31.98 73.35 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 123.738 0.815 . . . . 51.01 110.687 179.059 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 124' ' ' ASN . . . . . 0.53 ' ND2' HG21 ' A' ' 23' ' ' THR . 1.0 OUTLIER -72.47 -35.42 68.21 Favored 'General case' 0 C--N 1.351 0.633 0 CA-C-N 115.644 -0.707 . . . . 51.44 110.134 177.855 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 125' ' ' MET . . . . . 0.508 ' HG2' ' O ' ' B' ' 121' ' ' HIS . 87.8 mmm -63.97 -39.24 93.68 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.171 0.588 . . . . 61.02 112.237 177.01 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 126' ' ' GLU . . . . . 0.491 ' O ' ' HG ' ' B' ' 130' ' ' LEU . 19.3 mt-10 -65.95 -46.38 78.34 Favored 'General case' 0 C--N 1.349 0.571 0 O-C-N 123.702 0.626 . . . . 65.44 109.348 176.735 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 127' ' ' LEU . . . . . 0.541 HD22 HG23 ' A' ' 23' ' ' THR . 41.3 tp -60.62 -37.45 81.48 Favored 'General case' 0 CA--C 1.556 1.199 0 C-N-CA 123.914 0.886 . . . . 75.55 111.235 179.044 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 128' ' ' THR . . . . . . . . . . . . . 29.1 m -67.11 -41.29 86.48 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.429 1.092 . . . . 44.32 110.107 176.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -66.78 -32.74 74.23 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-N 115.267 -0.879 . . . . 74.42 110.668 179.045 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 130' ' ' LEU . . . . . 0.491 ' HG ' ' O ' ' B' ' 126' ' ' GLU . 95.5 mt -71.85 -46.63 57.35 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.446 0.698 . . . . 72.23 111.866 -177.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.91 -32.43 72.05 Favored 'General case' 0 N--CA 1.486 1.362 0 CA-C-O 120.933 0.397 . . . . 71.42 110.249 179.261 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 35.1 tp -69.6 -41.4 75.79 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 116.085 -0.507 . . . . 74.23 110.561 176.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 133' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -69.51 -20.88 63.71 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 122.686 0.394 . . . . 71.2 110.94 174.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 134' ' ' LEU . . . . . 0.414 HD13 HE22 ' A' ' 33' ' ' GLN . 17.1 tp -75.05 -38.05 61.5 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.498 0.719 . . . . 74.11 110.449 -178.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 135' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -79.78 -18.88 49.92 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 115.982 -0.554 . . . . 73.14 111.49 172.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -77.39 -30.5 53.67 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 122.59 0.356 . . . . 73.32 110.586 168.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -71.65 -40.34 69.73 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.11 0.564 . . . . 50.03 110.651 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 138' ' ' THR . . . . . 0.5 HG23 ' H ' ' B' ' 139' ' ' GLN . 2.1 t -147.88 -69.18 0.23 Allowed 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 116.152 -0.476 . . . . 74.45 110.527 177.736 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 139' ' ' GLN . . . . . 0.5 ' H ' HG23 ' B' ' 138' ' ' THR . 1.3 pp0? -178.57 -22.91 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.926 0.89 . . . . 70.15 111.156 -172.365 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 140' ' ' ARG . . . . . 0.432 HH11 ' HD3' ' B' ' 140' ' ' ARG . 22.2 ttt180 68.8 153.87 0.11 Allowed 'General case' 0 N--CA 1.491 1.607 0 C-N-CA 124.382 1.073 . . . . 72.24 112.829 174.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 141' ' ' GLN . . . . . 0.501 ' NE2' ' H ' ' B' ' 141' ' ' GLN . 0.0 OUTLIER -66.84 148.4 51.99 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.401 0.681 . . . . 71.1 111.085 173.707 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -85.49 79.72 9.33 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-O 122.086 0.946 . . . . 72.43 111.708 -177.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 143' ' ' ARG . . . . . 0.434 ' HG3' ' HG2' ' B' ' 141' ' ' GLN . 56.6 mtm180 -90.4 -65.51 1.01 Allowed 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 107.597 -1.26 . . . . 71.13 107.597 165.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 144' ' ' PHE . . . . . . . . . . . . . 46.8 t80 . . . . . 0 CA--C 1.546 0.796 0 N-CA-C 107.562 -1.273 . . . . 73.42 107.562 173.677 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.4 ' O ' ' HG3' ' A' ' 4' ' ' LYS . 2.0 m-20 . . . . . 0 N--CA 1.485 1.283 0 CA-C-O 120.765 0.317 . . . . 74.54 110.732 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -67.17 -24.47 65.88 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 113.244 0.831 . . . . 72.33 113.244 -178.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.428 ' HD2' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -67.63 -44.95 76.77 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 109.711 -0.477 . . . . 74.25 109.711 177.784 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.41 ' O ' ' HG2' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -78.3 -22.52 48.07 Favored 'General case' 0 C--O 1.215 -0.73 0 N-CA-C 109.386 -0.598 . . . . 74.24 109.386 -178.13 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 24.3 tp -54.32 -41.93 69.57 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.767 0.827 . . . . 73.51 109.957 172.421 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -55.43 -56.14 23.64 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-N 114.319 -1.31 . . . . 74.11 109.416 171.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.78 -31.65 64.86 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 113.199 0.814 . . . . 73.51 113.199 179.613 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.41 ' HG2' ' O ' ' A' ' 4' ' ' LYS . 10.1 mm-40 -64.11 -69.31 0.29 Allowed 'General case' 0 N--CA 1.48 1.025 0 O-C-N 123.29 0.369 . . . . 71.15 110.959 -178.17 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.546 HD11 ' CD2' ' B' ' 106' ' ' TYR . 15.4 mt -59.33 -40.76 82.24 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 O-C-N 123.006 0.191 . . . . 64.21 111.011 179.546 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.41 -28.19 69.07 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 123.704 0.801 . . . . 73.35 110.983 -177.069 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.57 -50.18 70.5 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 122.748 0.419 . . . . 74.22 110.202 174.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -70.13 -31.31 68.78 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 116.04 -0.527 . . . . 72.01 110.767 177.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -64.92 -41.61 95.41 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 124.094 0.958 . . . . 61.01 109.812 179.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.402 ' HA ' ' HE2' ' A' ' 17' ' ' LYS . 2.7 tt0 -57.82 -51.0 71.38 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.864 1.266 . . . . 74.24 110.002 173.74 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.8 ttpt -57.37 -45.59 84.25 Favored 'General case' 0 C--O 1.22 -0.484 0 CA-C-N 114.777 -1.102 . . . . 74.11 110.221 178.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.474 ' HB3' ' HB3' ' B' ' 116' ' ' LEU . 82.1 mt -64.83 -32.83 74.71 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 123.933 0.893 . . . . 51.11 111.251 -174.268 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.425 ' HA ' HD23 ' A' ' 20' ' ' LEU . 50.7 mtmt -68.74 -38.47 80.17 Favored 'General case' 0 N--CA 1.472 0.673 0 O-C-N 123.464 0.478 . . . . 64.31 110.569 174.218 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.7 -53.54 21.54 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 115.85 -0.614 . . . . 73.44 110.903 -176.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.426 ' OE1' HD22 ' B' ' 120' ' ' LEU . 0.4 OUTLIER -68.72 -32.25 71.9 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.054 0.941 . . . . 65.42 112.797 -177.194 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 17' ' ' LYS . 0.9 OUTLIER -66.36 -42.99 87.23 Favored 'General case' 0 C--N 1.356 0.861 0 N-CA-C 108.617 -0.883 . . . . 72.42 108.617 174.714 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 57.2 t-80 -62.06 -37.82 86.45 Favored 'General case' 0 C--N 1.355 0.843 0 O-C-N 123.969 0.793 . . . . 63.31 110.138 -178.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -59.62 -52.28 66.19 Favored 'General case' 0 C--N 1.353 0.744 0 O-C-N 123.831 0.707 . . . . 73.43 110.429 172.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.558 ' HA ' ' HG2' ' A' ' 26' ' ' GLU . 21.4 m -66.92 -27.34 67.41 Favored 'General case' 0 CA--C 1.547 0.851 0 O-C-N 123.829 0.706 . . . . 55.3 112.373 -176.445 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.535 ' ND2' HG21 ' B' ' 123' ' ' THR . 0.9 OUTLIER -75.35 -43.1 52.38 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.178 0.591 . . . . 75.5 109.769 177.578 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.28 -38.74 85.56 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.96 -0.563 . . . . 75.23 111.691 179.589 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.558 ' HG2' ' HA ' ' A' ' 23' ' ' THR . 13.3 pt-20 -80.23 -19.55 46.63 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 123.595 0.559 . . . . 74.45 110.376 178.717 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.559 HD22 HG23 ' B' ' 123' ' ' THR . 50.5 tp -69.89 -50.6 40.79 Favored 'General case' 0 C--N 1.353 0.721 0 C-N-CA 123.025 0.53 . . . . 71.51 109.765 171.283 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 88.7 m -63.57 -41.39 98.39 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.053 0.941 . . . . 63.43 110.407 179.123 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.522 ' O ' ' HG2' ' A' ' 33' ' ' GLN . 2.6 t70 -58.18 -52.98 63.31 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 114.281 -1.327 . . . . 72.33 109.978 173.52 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.44 HD13 HE21 ' A' ' 33' ' ' GLN . 0.5 OUTLIER -58.19 -48.76 79.32 Favored 'General case' 0 C--N 1.355 0.831 0 O-C-N 124.204 0.94 . . . . 62.31 111.658 -174.794 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.5 -32.87 72.0 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 123.55 0.531 . . . . 64.32 111.609 -176.672 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.2 tt -60.11 -60.44 3.82 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.225 1.01 . . . . 74.51 110.613 178.489 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.522 ' HG2' ' O ' ' A' ' 29' ' ' ASP . 7.2 pt20 -68.07 -36.6 80.09 Favored 'General case' 0 CA--C 1.552 1.037 0 CA-C-N 115.282 -0.872 . . . . 65.15 110.611 -179.364 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 37.7 tp -49.7 -58.8 4.61 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.899 0.88 . . . . 72.1 110.449 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -67.13 -30.52 70.54 Favored 'General case' 0 C--N 1.362 1.151 0 O-C-N 126.275 2.235 . . . . 62.1 111.595 -175.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -61.8 -15.31 40.59 Favored 'General case' 0 N--CA 1.493 1.686 0 CA-C-O 120.584 0.23 . . . . 74.22 111.111 168.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 84.78 55.79 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 126.392 1.877 . . . . 41.44 109.071 172.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.444 HG21 ' HB2' ' A' ' 33' ' ' GLN . 1.8 t -96.2 169.79 9.7 Favored 'General case' 0 N--CA 1.491 1.623 0 CA-C-N 114.554 -1.203 . . . . 71.52 111.214 -175.656 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.431 ' HB3' HG21 ' B' ' 138' ' ' THR . 11.8 pt20 -116.85 -54.29 2.44 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.728 0.811 . . . . 73.25 111.123 178.007 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.542 ' HA ' ' OE1' ' B' ' 141' ' ' GLN . 6.7 tmm_? -82.02 140.14 34.1 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.034 0.534 . . . . 63.11 111.195 -175.323 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -124.7 147.86 48.36 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 114.933 -1.03 . . . . 71.1 108.615 175.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -116.56 -21.29 9.24 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.785 1.234 . . . . 73.34 109.724 174.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 55.5 mtp180 70.25 -72.93 0.1 Allowed 'General case' 0 C--N 1.364 1.205 0 C-N-CA 125.736 1.615 . . . . 72.3 111.53 175.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 75.1 t80 . . . . . 0 N--CA 1.476 0.873 0 C-N-CA 123.754 0.822 . . . . 75.14 111.375 179.985 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 . . . . . 0 N--CA 1.471 0.587 0 CA-C-O 120.659 0.266 . . . . 70.24 111.344 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 102' ' ' PHE . . . . . 0.445 ' HD2' HD23 ' B' ' 105' ' ' LEU . 96.5 m-85 -108.33 -4.61 17.3 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.689 0.796 . . . . 73.01 111.794 -178.676 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.0 -34.46 71.88 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 108.924 -0.769 . . . . 53.23 108.924 174.633 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 104' ' ' LYS . . . . . 0.485 ' O ' ' HG2' ' B' ' 108' ' ' GLN . 0.0 OUTLIER -62.58 -41.65 99.07 Favored 'General case' 0 C--N 1.362 1.122 0 CA-C-N 115.024 -0.989 . . . . 75.41 110.816 176.253 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . 0.445 HD23 ' HD2' ' B' ' 102' ' ' PHE . 0.5 OUTLIER -60.77 -41.85 96.31 Favored 'General case' 0 C--N 1.377 1.782 0 N-CA-C 109.109 -0.701 . . . . 73.11 109.109 -178.095 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 106' ' ' TYR . . . . . 0.546 ' CD2' HD11 ' A' ' 9' ' ' ILE . 39.5 t80 -57.39 -46.62 83.25 Favored 'General case' 0 C--N 1.36 1.053 0 O-C-N 124.366 1.041 . . . . 74.53 109.277 178.203 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -66.88 -39.7 87.57 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.063 0.945 . . . . 73.31 112.376 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 108' ' ' GLN . . . . . 0.485 ' HG2' ' O ' ' B' ' 104' ' ' LYS . 11.9 mm-40 -67.83 -58.49 4.51 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 122.992 0.517 . . . . 75.45 111.169 -175.166 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 18.6 mt -69.14 -37.3 76.35 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.617 0 CA-C-N 115.617 -0.719 . . . . 64.34 110.654 -174.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 110' ' ' LEU . . . . . 0.526 ' HB2' HD13 ' A' ' 9' ' ' ILE . 19.6 tp -74.14 -27.78 61.02 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 122.593 0.357 . . . . 71.51 111.518 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -62.89 -45.64 91.58 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 109.592 -0.521 . . . . 73.44 109.592 171.389 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 112' ' ' GLU . . . . . 0.449 ' O ' ' HG ' ' B' ' 116' ' ' LEU . 5.8 tp10 -64.68 -45.24 87.51 Favored 'General case' 0 C--O 1.216 -0.702 0 CA-C-N 115.152 -0.931 . . . . 72.32 110.017 176.683 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -59.84 -40.71 89.43 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 125.11 1.364 . . . . 52.22 110.694 -177.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -59.32 -54.17 49.87 Favored 'General case' 0 C--O 1.243 0.758 0 C-N-CA 124.319 1.048 . . . . 74.15 110.008 175.312 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 26.2 ttpt -56.17 -41.57 75.69 Favored 'General case' 0 C--O 1.218 -0.582 0 O-C-N 124.253 0.971 . . . . 63.3 110.298 178.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 116' ' ' LEU . . . . . 0.474 ' HB3' ' HB3' ' A' ' 16' ' ' LEU . 90.9 mt -64.78 -30.86 71.88 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 123.994 0.809 . . . . 71.44 111.463 -176.291 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . 0.479 ' HA ' HD23 ' B' ' 120' ' ' LEU . 54.3 mtmt -75.08 -35.69 61.8 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-O 120.787 0.327 . . . . 72.14 111.002 175.032 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -71.5 -42.23 68.29 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.492 0.717 . . . . 72.12 111.223 -179.286 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 119' ' ' GLN . . . . . 0.403 HE22 ' HB3' ' A' ' 20' ' ' LEU . 5.0 pp0? -76.43 -36.01 58.23 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.511 0.724 . . . . 74.44 110.765 -174.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 120' ' ' LEU . . . . . 0.479 HD23 ' HA ' ' B' ' 117' ' ' LYS . 1.2 pp -64.22 -43.99 93.29 Favored 'General case' 0 C--N 1.363 1.183 0 N-CA-C 108.627 -0.879 . . . . 75.12 108.627 176.328 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 -56.63 -46.57 80.9 Favored 'General case' 0 C--N 1.363 1.153 0 O-C-N 124.08 0.862 . . . . 73.12 110.686 179.059 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -63.48 -45.32 91.28 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 124.038 0.836 . . . . 72.43 111.292 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 123' ' ' THR . . . . . 0.559 HG23 HD22 ' A' ' 27' ' ' LEU . 37.5 m -69.97 -25.51 63.65 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 123.25 0.62 . . . . 61.22 111.399 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 124' ' ' ASN . . . . . 0.507 ' ND2' HG21 ' A' ' 23' ' ' THR . 0.9 OUTLIER -71.26 -36.21 71.66 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 109.403 -0.591 . . . . 53.31 109.403 172.807 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 125' ' ' MET . . . . . . . . . . . . . 2.5 mmt -68.65 -38.8 80.73 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.262 0.625 . . . . 63.03 110.948 177.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -61.45 -44.75 96.55 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.356 0.662 . . . . 65.03 109.589 174.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 46.0 tp -62.89 -39.86 95.77 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 124.408 1.083 . . . . 73.34 110.864 178.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 128' ' ' THR . . . . . . . . . . . . . 86.2 m -64.31 -35.96 82.55 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.056 0.942 . . . . 53.42 110.434 177.27 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -65.34 -46.53 79.87 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 115.255 -0.884 . . . . 74.41 110.274 178.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 130' ' ' LEU . . . . . 0.46 HD12 HD12 ' A' ' 27' ' ' LEU . 68.0 mt -69.75 -34.12 73.37 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.276 0.63 . . . . 72.11 111.624 -178.533 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.27 -33.15 67.25 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 109.023 -0.732 . . . . 75.13 109.023 -179.063 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 56.0 tp -64.96 -47.75 76.52 Favored 'General case' 0 C--N 1.356 0.877 0 C-N-CA 123.611 0.764 . . . . 73.45 109.312 173.07 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 133' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -63.63 -28.8 70.16 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 115.644 -0.707 . . . . 72.13 111.331 178.171 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 134' ' ' LEU . . . . . 0.403 HD11 HG23 ' A' ' 38' ' ' THR . 22.4 tp -66.98 -50.85 60.97 Favored 'General case' 0 C--O 1.25 1.122 0 CA-C-O 121.829 0.823 . . . . 75.1 110.104 -178.279 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 135' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -73.87 -15.12 61.16 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 114.737 -1.12 . . . . 63.05 111.948 177.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -93.6 -17.03 23.75 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.373 0.669 . . . . 74.35 111.761 171.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -75.12 -38.82 60.95 Favored 'General case' 0 N--CA 1.484 1.254 0 CA-C-O 121.471 0.653 . . . . 70.25 109.444 177.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 138' ' ' THR . . . . . 0.431 HG21 ' HB3' ' A' ' 39' ' ' GLN . 0.1 OUTLIER -142.99 -77.69 0.24 Allowed 'General case' 0 C--O 1.241 0.627 0 CA-C-N 114.463 -1.244 . . . . 52.3 109.436 -179.063 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -172.17 -28.22 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.071 0.948 . . . . 70.0 110.793 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 140' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' B' ' 140' ' ' ARG . 31.2 ttt180 68.35 161.0 0.18 Allowed 'General case' 0 N--CA 1.498 1.967 0 C-N-CA 124.086 0.954 . . . . 74.31 110.615 179.245 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 141' ' ' GLN . . . . . 0.542 ' OE1' ' HA ' ' A' ' 40' ' ' ARG . 5.5 pm0 -62.73 152.48 35.53 Favored 'General case' 0 N--CA 1.486 1.357 0 O-C-N 121.606 -0.684 . . . . 74.21 110.393 173.409 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -73.04 -19.13 61.25 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.334 0.654 . . . . 73.33 112.317 -172.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 21.2 mmm180 64.76 -80.5 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 124.493 1.117 . . . . 73.54 111.788 176.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 144' ' ' PHE . . . . . . . . . . . . . 80.8 t80 . . . . . 0 C--O 1.251 1.179 0 N-CA-C 108.876 -0.786 . . . . 72.14 108.876 177.467 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.524 ' O ' ' HG3' ' A' ' 4' ' ' LYS . 7.9 m-20 . . . . . 0 N--CA 1.481 1.081 0 CA-C-O 121.116 0.484 . . . . 74.32 110.261 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -68.62 -14.06 62.77 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 114.493 1.294 . . . . 75.42 114.493 -165.211 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.0 -45.97 72.6 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 109.307 -0.627 . . . . 64.11 109.307 174.516 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.524 ' HG3' ' O ' ' A' ' 1' ' ' ASP . 0.0 OUTLIER -75.78 -28.86 58.56 Favored 'General case' 0 C--N 1.361 1.097 0 CA-C-O 119.022 -0.513 . . . . 65.03 110.092 179.239 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 24.5 tp -56.77 -48.55 77.61 Favored 'General case' 0 N--CA 1.483 1.208 0 O-C-N 123.419 0.449 . . . . 65.43 109.952 175.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 20.1 t80 -54.57 -52.93 60.57 Favored 'General case' 0 C--N 1.358 0.95 0 O-C-N 124.544 1.153 . . . . 71.43 109.763 175.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -65.28 -34.34 78.11 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 115.022 -0.99 . . . . 74.13 113.436 -173.029 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.476 ' HG2' ' HE3' ' A' ' 4' ' ' LYS . 5.8 mm-40 -69.55 -55.01 11.34 Favored 'General case' 0 N--CA 1.488 1.425 0 CA-C-N 118.068 0.394 . . . . 74.24 111.01 -177.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.51 HD11 ' CD2' ' B' ' 106' ' ' TYR . 3.5 mt -58.93 -47.14 90.61 Favored 'Isoleucine or valine' 0 C--N 1.366 1.307 0 O-C-N 123.452 0.47 . . . . 71.3 110.042 176.762 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -65.27 -30.71 71.6 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 124.584 1.153 . . . . 71.1 111.095 -174.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.84 -39.82 76.19 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 122.513 0.325 . . . . 42.21 110.338 175.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 20.9 tp10 -73.12 -31.8 64.53 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 123.581 0.752 . . . . 45.02 110.497 176.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -74.07 -44.43 54.18 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 124.923 1.289 . . . . 74.44 109.104 -175.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -65.99 -42.9 89.2 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 114.696 -1.138 . . . . 74.35 109.947 174.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.2 ttpt -52.67 -49.42 65.29 Favored 'General case' 0 CA--C 1.544 0.719 0 O-C-N 123.85 0.719 . . . . 74.14 110.555 174.34 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 92.3 mt -66.03 -29.44 69.8 Favored 'General case' 0 N--CA 1.477 0.881 0 O-C-N 124.154 0.909 . . . . 72.25 111.424 179.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.685 ' HA ' HD23 ' A' ' 20' ' ' LEU . 0.3 OUTLIER -72.79 -32.86 65.89 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 123.236 0.614 . . . . 73.31 110.776 174.605 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.88 -50.8 18.54 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.352 0.661 . . . . 74.14 110.247 -177.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -66.86 -34.97 78.96 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.155 0.582 . . . . 73.21 111.478 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.685 HD23 ' HA ' ' A' ' 17' ' ' LYS . 0.4 OUTLIER -63.65 -41.98 98.17 Favored 'General case' 0 C--N 1.364 1.205 0 N-CA-C 109.036 -0.727 . . . . 75.44 109.036 175.9 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.492 ' O ' ' HG2' ' A' ' 25' ' ' MET . 38.9 t-80 -58.94 -50.23 74.85 Favored 'General case' 0 C--N 1.354 0.779 0 O-C-N 123.96 0.788 . . . . 54.4 110.294 -178.289 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.406 ' O ' ' HG2' ' A' ' 26' ' ' GLU . 3.2 m-20 -58.9 -42.59 89.97 Favored 'General case' 0 N--CA 1.48 1.075 0 O-C-N 123.988 0.805 . . . . 65.24 111.369 176.065 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.6 HG22 HG22 ' B' ' 123' ' ' THR . 81.4 m -65.7 -31.57 72.64 Favored 'General case' 0 CA--C 1.552 1.044 0 O-C-N 123.999 0.812 . . . . 72.23 111.412 -179.518 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.501 ' ND2' HG21 ' B' ' 123' ' ' THR . 5.3 m-80 -74.8 -39.12 61.89 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.554 0.742 . . . . 64.34 110.324 177.669 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.492 ' HG2' ' O ' ' A' ' 21' ' ' HIS . 90.6 mmm -65.25 -45.19 85.56 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.191 0.596 . . . . 65.12 111.024 178.036 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.406 ' HG2' ' O ' ' A' ' 22' ' ' ASP . 14.8 pt-20 -76.29 -23.92 54.39 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 116.394 -0.366 . . . . 73.35 110.941 179.459 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.4 tt -63.89 -43.14 96.9 Favored 'General case' 0 C--N 1.357 0.892 0 N-CA-C 107.877 -1.157 . . . . 74.32 107.877 169.274 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 27.9 m -65.43 -39.4 92.05 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.343 0.657 . . . . 74.21 111.23 179.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.43 ' O ' ' HG3' ' A' ' 33' ' ' GLN . 12.6 t70 -62.25 -59.25 5.3 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.241 0.617 . . . . 63.3 109.338 179.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.585 HD22 HD22 ' B' ' 127' ' ' LEU . 9.6 mp -53.05 -54.23 38.5 Favored 'General case' 0 C--O 1.207 -1.142 0 O-C-N 124.909 1.381 . . . . 52.43 110.069 -179.479 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 53.5 tptt -46.58 -55.23 7.94 Favored 'General case' 0 C--O 1.248 1.008 0 C-N-CA 125.87 1.668 . . . . 65.21 112.279 177.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 60.6 tp -62.45 -66.19 0.58 Allowed 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 114.988 -1.006 . . . . 71.42 111.372 -172.205 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.43 ' HG3' ' O ' ' A' ' 29' ' ' ASP . 2.7 pp0? -71.56 -20.64 61.99 Favored 'General case' 0 CA--C 1.546 0.827 0 N-CA-C 112.297 0.48 . . . . 75.04 112.297 -174.528 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 21.1 tp -56.05 -59.14 5.34 Favored 'General case' 0 N--CA 1.487 1.389 0 CA-C-O 118.884 -0.579 . . . . 72.32 110.289 171.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -73.69 -18.13 61.05 Favored 'General case' 0 N--CA 1.48 1.026 0 O-C-N 125.075 1.485 . . . . 62.14 112.128 -176.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -77.28 -5.81 50.8 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 123.12 0.568 . . . . 60.24 110.45 166.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 83.38 65.6 0.02 OUTLIER 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 126.118 1.767 . . . . 70.42 109.297 169.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 9.7 t -39.4 163.0 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.063 0 CA-C-N 111.678 -2.51 . . . . 74.42 117.371 -174.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.02 -14.05 1.59 Allowed 'General case' 0 CA--C 1.559 1.301 0 CA-C-N 112.285 -2.234 . . . . 73.33 110.267 172.694 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 19.3 ttt180 -174.59 161.35 3.22 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 125.219 1.408 . . . . 54.1 109.066 -170.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.409 ' HG3' ' HG3' ' A' ' 43' ' ' ARG . 2.2 pt20 -125.73 155.5 40.87 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 108.906 -0.776 . . . . 74.25 108.906 174.153 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -114.49 -27.96 7.36 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 122.972 0.509 . . . . 65.11 110.461 176.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.409 ' HG3' ' HG3' ' A' ' 41' ' ' GLN . 79.3 mtp180 69.08 -69.91 0.15 Allowed 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 126.023 1.729 . . . . 70.0 112.417 177.5 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 87.6 t80 . . . . . 0 N--CA 1.484 1.255 0 C-N-CA 123.568 0.747 . . . . 63.35 111.467 178.54 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 . . . . . 0 N--CA 1.468 0.466 0 CA-C-O 121.43 0.633 . . . . 63.42 110.557 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 102' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -107.1 -3.12 20.29 Favored 'General case' 0 C--O 1.248 0.993 0 C-N-CA 124.472 1.109 . . . . 71.14 110.465 177.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 103' ' ' LYS . . . . . 0.414 ' O ' ' HG2' ' B' ' 107' ' ' GLU . 0.0 OUTLIER -59.38 -31.47 69.26 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 109.215 -0.661 . . . . 74.41 109.215 173.268 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 104' ' ' LYS . . . . . 0.481 ' O ' ' HG2' ' B' ' 108' ' ' GLN . 0.0 OUTLIER -73.57 -31.39 63.59 Favored 'General case' 0 C--O 1.213 -0.835 0 CA-C-N 114.45 -1.25 . . . . 74.13 110.812 -179.233 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.04 -41.87 99.6 Favored 'General case' 0 C--N 1.369 1.435 0 N-CA-C 107.557 -1.275 . . . . 74.23 107.557 175.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 106' ' ' TYR . . . . . 0.51 ' CD2' HD11 ' A' ' 9' ' ' ILE . 21.0 t80 -61.47 -40.98 96.48 Favored 'General case' 0 C--N 1.359 0.979 0 CA-C-N 114.802 -1.09 . . . . 70.05 109.595 176.236 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 107' ' ' GLU . . . . . 0.414 ' HG2' ' O ' ' B' ' 103' ' ' LYS . 28.5 mm-40 -64.69 -46.79 80.9 Favored 'General case' 0 C--N 1.352 0.681 0 C-N-CA 122.945 0.498 . . . . 54.13 112.059 178.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 108' ' ' GLN . . . . . 0.481 ' HG2' ' O ' ' B' ' 104' ' ' LYS . 14.5 mm-40 -62.89 -58.01 8.86 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 123.051 0.54 . . . . 70.52 110.965 -172.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 12.9 mt -70.26 -39.57 76.94 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.844 0 CA-C-N 115.242 -0.89 . . . . 62.31 110.794 -172.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -73.18 -32.15 64.66 Favored 'General case' 0 N--CA 1.491 1.581 0 C-N-CA 122.911 0.484 . . . . 74.3 110.699 -178.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -68.26 -39.39 82.23 Favored 'General case' 0 N--CA 1.487 1.42 0 CA-C-N 118.0 0.363 . . . . 72.13 110.17 175.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 112' ' ' GLU . . . . . 0.419 ' O ' ' HG ' ' B' ' 116' ' ' LEU . 4.8 tp10 -66.49 -40.75 89.46 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 115.378 -0.828 . . . . 74.34 109.921 173.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -64.65 -36.27 83.72 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 124.841 1.256 . . . . 72.41 110.601 -178.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -61.27 -51.92 66.91 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.413 1.085 . . . . 75.43 109.71 172.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 16.6 ttpt -59.14 -34.66 72.33 Favored 'General case' 0 C--N 1.349 0.571 0 CA-C-N 115.111 -0.949 . . . . 74.24 110.266 177.353 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 116' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' B' ' 112' ' ' GLU . 74.7 mt -67.24 -33.49 75.44 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.536 0.734 . . . . 65.01 111.491 -178.677 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -70.06 -38.98 75.92 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 110.065 -0.346 . . . . 72.22 110.065 174.142 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -69.78 -43.75 71.5 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 123.734 0.813 . . . . 53.3 111.466 -176.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -74.54 -38.18 62.82 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.505 -0.77 . . . . 71.12 110.28 -176.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.88 -36.58 80.5 Favored 'General case' 0 C--N 1.363 1.177 0 N-CA-C 108.927 -0.768 . . . . 73.43 108.927 -178.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 121' ' ' HIS . . . . . 0.57 ' O ' ' HG2' ' B' ' 125' ' ' MET . 41.5 t-80 -56.62 -53.75 53.98 Favored 'General case' 0 C--N 1.359 1.007 0 N-CA-C 108.694 -0.854 . . . . 71.54 108.694 175.349 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 122' ' ' ASP . . . . . 0.413 ' O ' ' HG3' ' B' ' 126' ' ' GLU . 32.7 t70 -54.21 -48.41 71.05 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 124.451 1.095 . . . . 70.25 112.04 178.796 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 123' ' ' THR . . . . . 0.6 HG22 HG22 ' A' ' 23' ' ' THR . 7.0 m -68.13 -33.02 73.71 Favored 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 123.551 0.741 . . . . 73.11 110.688 -176.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 124' ' ' ASN . . . . . 0.587 ' ND2' HG21 ' A' ' 23' ' ' THR . 0.9 OUTLIER -75.51 -30.16 59.73 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.65 0.78 . . . . 64.15 110.707 178.47 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 125' ' ' MET . . . . . 0.57 ' HG2' ' O ' ' B' ' 121' ' ' HIS . 93.7 mmm -68.89 -42.29 77.16 Favored 'General case' 0 C--N 1.353 0.722 0 C-N-CA 122.564 0.346 . . . . 72.02 110.485 175.589 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 126' ' ' GLU . . . . . 0.413 ' HG3' ' O ' ' B' ' 122' ' ' ASP . 14.6 mt-10 -67.45 -37.8 83.51 Favored 'General case' 0 N--CA 1.476 0.864 0 O-C-N 123.42 0.45 . . . . 52.32 109.808 177.316 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 127' ' ' LEU . . . . . 0.585 HD22 HD22 ' A' ' 30' ' ' LEU . 3.0 tm? -60.74 -47.95 84.0 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 123.948 0.899 . . . . 51.03 110.509 177.639 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 128' ' ' THR . . . . . 0.537 ' HA ' ' HG2' ' B' ' 131' ' ' LYS . 87.8 m -68.42 -30.82 69.8 Favored 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 123.666 0.786 . . . . 73.32 110.688 178.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -68.89 -49.16 60.57 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.196 0.598 . . . . 73.31 109.558 178.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 130' ' ' LEU . . . . . 0.51 ' HB3' ' HB3' ' A' ' 30' ' ' LEU . 97.4 mt -65.54 -35.92 82.28 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.625 0.77 . . . . 65.51 110.976 -178.201 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 131' ' ' LYS . . . . . 0.537 ' HG2' ' HA ' ' B' ' 128' ' ' THR . 10.3 pttp -71.77 -28.34 63.56 Favored 'General case' 0 C--N 1.365 1.248 0 O-C-N 123.374 0.421 . . . . 71.12 110.188 178.097 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 132' ' ' LEU . . . . . 0.684 ' HG ' ' HE3' ' B' ' 136' ' ' LYS . 32.1 tp -64.07 -52.27 60.1 Favored 'General case' 0 C--N 1.351 0.671 0 O-C-N 123.767 0.667 . . . . 64.52 109.797 177.002 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 133' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -70.82 -21.1 62.5 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-N 116.718 -0.219 . . . . 64.03 111.506 176.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 134' ' ' LEU . . . . . 0.432 ' O ' HG22 ' B' ' 138' ' ' THR . 0.2 OUTLIER -64.0 -48.89 74.61 Favored 'General case' 0 N--CA 1.482 1.165 0 N-CA-C 107.711 -1.218 . . . . 73.52 107.711 172.659 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 135' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -83.79 -0.47 51.16 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.27 0.628 . . . . 75.41 112.094 -177.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 136' ' ' LYS . . . . . 0.684 ' HE3' ' HG ' ' B' ' 132' ' ' LEU . 97.1 mttt -90.17 -52.54 4.89 Favored 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 123.196 0.598 . . . . 75.3 110.983 165.596 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -63.01 -37.25 86.43 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 124.251 1.02 . . . . 72.23 111.456 -175.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 138' ' ' THR . . . . . 0.432 HG22 ' O ' ' B' ' 134' ' ' LEU . 14.0 t -125.49 -179.15 4.49 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.625 0.77 . . . . 63.54 109.306 171.586 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -74.44 -32.12 62.52 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 122.97 0.508 . . . . 74.13 109.887 174.626 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 140' ' ' ARG . . . . . . . . . . . . . 54.0 ttt180 64.16 131.55 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 125.046 1.338 . . . . 65.05 110.894 -173.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 4.9 pm0 -52.61 144.44 13.82 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 123.941 0.896 . . . . 72.14 111.04 175.128 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -106.37 40.33 1.63 Allowed 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 123.401 0.68 . . . . 74.44 110.826 -167.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 65.4 mtp180 -65.37 -55.0 20.64 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 115.117 -0.947 . . . . 72.3 110.431 179.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 144' ' ' PHE . . . . . . . . . . . . . 84.1 t80 . . . . . 0 C--O 1.251 1.18 0 N-CA-C 108.741 -0.837 . . . . 74.52 108.741 175.698 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.468 ' O ' ' HG3' ' A' ' 4' ' ' LYS . 4.1 m-20 . . . . . 0 N--CA 1.483 1.179 0 CA-C-O 120.605 0.24 . . . . 52.53 110.651 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.464 ' HD1' HD22 ' A' ' 5' ' ' LEU . 58.2 m-85 -66.84 -14.54 62.82 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 113.985 1.106 . . . . 71.01 113.985 -176.274 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.481 ' HD3' ' H ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -68.68 -35.56 77.36 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 121.322 0.582 . . . . 74.13 109.914 179.09 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.481 ' H ' ' HD3' ' A' ' 3' ' ' LYS . 0.1 OUTLIER -83.83 -26.23 29.7 Favored 'General case' 0 C--O 1.213 -0.862 0 CA-C-N 114.984 -1.007 . . . . 62.1 109.42 179.012 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.464 HD22 ' HD1' ' A' ' 2' ' ' PHE . 20.6 tp -55.87 -45.43 78.54 Favored 'General case' 0 C--N 1.364 1.209 0 N-CA-C 109.628 -0.508 . . . . 71.13 109.628 173.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -54.61 -53.45 54.52 Favored 'General case' 0 C--N 1.358 0.957 0 O-C-N 124.747 1.279 . . . . 71.43 109.512 173.097 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -58.81 -35.58 73.1 Favored 'General case' 0 N--CA 1.472 0.641 0 O-C-N 124.52 1.138 . . . . 74.44 112.924 -177.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.417 ' HG2' ' O ' ' A' ' 4' ' ' LYS . 8.6 mm-40 -64.25 -64.55 0.85 Allowed 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 123.144 0.578 . . . . 72.1 111.057 -176.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.554 HD11 ' CD1' ' B' ' 106' ' ' TYR . 14.1 mt -59.9 -40.64 83.42 Favored 'Isoleucine or valine' 0 C--N 1.358 0.947 0 CA-C-O 119.558 -0.258 . . . . 63.13 111.224 177.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.75 -30.68 70.96 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 123.406 0.682 . . . . 74.33 110.959 -176.394 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.4 -44.85 93.49 Favored 'General case' 0 N--CA 1.48 1.073 0 N-CA-C 109.653 -0.499 . . . . 51.02 109.653 175.306 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.465 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 2.9 tp10 -69.66 -36.6 76.19 Favored 'General case' 0 C--O 1.211 -0.97 0 CA-C-N 115.051 -0.977 . . . . 73.13 110.385 176.738 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -66.34 -46.58 76.32 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 125.001 1.32 . . . . 72.23 110.307 -175.109 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -58.9 -47.92 83.27 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.689 1.196 . . . . 61.34 109.966 173.093 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.9 ttpt -58.83 -40.58 84.6 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 123.949 0.781 . . . . 73.42 110.852 178.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.497 ' HB3' ' HB3' ' B' ' 116' ' ' LEU . 86.6 mt -68.82 -30.16 68.65 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.606 0.762 . . . . 64.33 110.84 -177.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.35 -33.06 67.01 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 123.244 0.617 . . . . 74.54 109.91 174.061 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.82 -58.67 3.85 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 116.059 -0.519 . . . . 75.54 110.343 179.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -64.91 -28.21 69.38 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.642 0.777 . . . . 74.22 112.661 -177.124 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.494 ' HB3' HE22 ' B' ' 119' ' ' GLN . 0.9 OUTLIER -67.01 -44.41 80.37 Favored 'General case' 0 C--N 1.359 1.015 0 N-CA-C 109.401 -0.592 . . . . 72.24 109.401 171.89 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -55.6 -36.41 66.89 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 123.829 0.852 . . . . 63.12 110.419 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -64.11 -56.49 14.51 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.823 0.849 . . . . 52.24 111.284 171.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.566 HG22 HG22 ' B' ' 123' ' ' THR . 6.8 m -67.66 -24.58 65.45 Favored 'General case' 0 N--CA 1.481 1.099 0 N-CA-C 111.892 0.33 . . . . 70.42 111.892 -173.73 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.608 ' ND2' HG21 ' B' ' 123' ' ' THR . 1.1 m-80 -80.17 -41.53 25.14 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.863 0.865 . . . . 73.12 110.292 -178.332 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 23.8 ptp -66.63 -46.05 77.06 Favored 'General case' 0 C--N 1.356 0.856 0 CA-C-O 119.341 -0.361 . . . . 74.5 110.146 178.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.433 ' HG3' HD13 ' B' ' 127' ' ' LEU . 12.7 pt-20 -71.74 -25.61 62.13 Favored 'General case' 0 C--O 1.211 -0.942 0 C-N-CA 122.844 0.458 . . . . 72.54 110.544 -177.444 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.5 tt -60.64 -51.27 70.11 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 109.381 -0.6 . . . . 64.42 109.381 171.105 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.0 m -64.26 -43.72 93.96 Favored 'General case' 0 CA--C 1.544 0.713 0 O-C-N 124.011 0.82 . . . . 73.22 111.101 -176.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -59.66 -57.27 13.66 Favored 'General case' 0 C--N 1.355 0.806 0 O-C-N 124.031 0.832 . . . . 70.41 109.974 176.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.532 HD21 ' HB2' ' A' ' 41' ' ' GLN . 2.1 mm? -48.62 -47.45 40.17 Favored 'General case' 0 N--CA 1.484 1.261 0 O-C-N 124.955 1.41 . . . . 64.01 111.784 179.115 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.2 tptt -58.94 -47.01 86.58 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 124.986 1.314 . . . . 72.22 110.584 -179.2 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 56.0 tp -64.35 -62.06 1.84 Allowed 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 115.134 -0.939 . . . . 73.44 110.046 -173.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.12 -39.46 78.75 Favored 'General case' 0 C--O 1.247 0.928 0 CA-C-N 115.25 -0.886 . . . . 75.53 111.249 179.102 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 29.0 tp -46.5 -63.07 1.1 Allowed 'General case' 0 C--O 1.247 0.965 0 C-N-CA 123.826 0.85 . . . . 64.34 111.089 -178.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -78.09 -13.33 59.91 Favored 'General case' 0 C--N 1.353 0.747 0 O-C-N 126.322 2.264 . . . . 50.32 112.397 -174.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 60.0 mtpt -76.09 -5.3 45.94 Favored 'General case' 0 N--CA 1.484 1.24 0 N-CA-C 110.034 -0.358 . . . . 61.23 110.034 163.555 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 81.6 62.94 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 125.607 1.563 . . . . 51.11 110.334 168.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 43.1 p -103.96 179.65 4.21 Favored 'General case' 0 N--CA 1.5 2.044 0 CA-C-N 115.158 -0.928 . . . . 74.0 113.031 -177.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.563 ' HB3' HG21 ' B' ' 138' ' ' THR . 1.1 pp0? -139.41 1.68 1.99 Allowed 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.381 1.072 . . . . 54.44 112.542 -174.297 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.497 ' HB2' ' NE2' ' A' ' 39' ' ' GLN . 77.2 ttt180 -133.71 151.2 51.57 Favored 'General case' 0 N--CA 1.481 1.08 0 O-C-N 122.115 -0.365 . . . . 73.42 110.178 178.579 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.546 HE22 ' HB2' ' B' ' 131' ' ' LYS . 10.2 pt20 -134.62 162.93 30.93 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 124.229 0.956 . . . . 74.31 109.674 177.729 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -132.62 83.03 2.04 Favored 'General case' 0 C--O 1.24 0.596 0 N-CA-C 108.133 -1.062 . . . . 55.55 108.133 177.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 17.3 mtp180 -58.94 -54.15 50.4 Favored 'General case' 0 CA--C 1.551 0.981 0 CA-C-N 114.377 -1.283 . . . . 73.23 111.429 177.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 72.0 t80 . . . . . 0 N--CA 1.486 1.357 0 C-N-CA 123.436 0.695 . . . . 73.42 109.652 174.789 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 . . . . . 0 N--CA 1.466 0.341 0 CA-C-O 121.359 0.599 . . . . 74.55 110.109 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 102' ' ' PHE . . . . . 0.528 ' HD1' HD23 ' B' ' 105' ' ' LEU . 96.7 m-85 -77.53 -2.42 35.48 Favored 'General case' 0 C--O 1.246 0.901 0 CA-C-N 114.809 -1.087 . . . . 74.21 113.691 -167.565 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.53 -36.55 74.03 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 109.578 -0.527 . . . . 75.1 109.578 173.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 104' ' ' LYS . . . . . 0.429 ' O ' ' HG2' ' B' ' 108' ' ' GLN . 0.1 OUTLIER -65.48 -37.62 87.38 Favored 'General case' 0 C--N 1.361 1.085 0 CA-C-O 118.48 -0.771 . . . . 62.32 111.24 178.095 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . 0.528 HD23 ' HD1' ' B' ' 102' ' ' PHE . 0.4 OUTLIER -60.65 -44.38 96.47 Favored 'General case' 0 C--N 1.378 1.811 0 N-CA-C 108.616 -0.883 . . . . 73.34 108.616 -177.772 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 106' ' ' TYR . . . . . 0.554 ' CD1' HD11 ' A' ' 9' ' ' ILE . 46.0 t80 -57.66 -47.92 80.94 Favored 'General case' 0 C--N 1.364 1.199 0 O-C-N 124.355 1.034 . . . . 65.42 109.653 179.327 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -66.87 -39.77 87.64 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 124.184 0.927 . . . . 72.33 112.881 -176.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 108' ' ' GLN . . . . . 0.429 ' HG2' ' O ' ' B' ' 104' ' ' LYS . 7.5 mm-40 -67.08 -53.43 31.0 Favored 'General case' 0 N--CA 1.486 1.331 0 O-C-N 123.381 0.426 . . . . 73.5 110.753 -176.252 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 13.8 mt -70.27 -38.72 75.35 Favored 'Isoleucine or valine' 0 C--N 1.352 0.714 0 O-C-N 123.73 0.644 . . . . 72.52 110.495 -175.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -70.05 -30.66 67.98 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 123.325 0.65 . . . . 72.03 110.378 179.715 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -65.32 -45.99 82.07 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 122.628 0.371 . . . . 31.43 110.011 173.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 112' ' ' GLU . . . . . 0.416 ' O ' ' HG ' ' B' ' 116' ' ' LEU . 38.4 tp10 -68.93 -33.48 73.8 Favored 'General case' 0 C--O 1.215 -0.757 0 CA-C-N 115.775 -0.648 . . . . 73.4 110.425 177.235 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -69.18 -38.24 78.58 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 124.772 1.229 . . . . 55.0 109.775 -179.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -61.3 -49.94 74.99 Favored 'General case' 0 C--N 1.352 0.715 0 C-N-CA 124.605 1.162 . . . . 73.3 109.391 172.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 14.6 ttpt -56.84 -42.8 80.32 Favored 'General case' 0 C--O 1.216 -0.663 0 O-C-N 124.327 1.017 . . . . 71.0 110.142 178.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 116' ' ' LEU . . . . . 0.497 ' HB3' ' HB3' ' A' ' 16' ' ' LEU . 92.5 mt -68.67 -35.03 76.7 Favored 'General case' 0 C--N 1.349 0.572 0 C-N-CA 124.001 0.92 . . . . 72.44 111.086 -178.505 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . 0.461 ' HD3' HD21 ' B' ' 120' ' ' LEU . 0.8 OUTLIER -68.45 -37.27 80.07 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-O 121.492 0.663 . . . . 74.34 110.727 175.942 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -77.73 -40.47 41.05 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 114.904 -1.044 . . . . 71.04 111.182 -175.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 119' ' ' GLN . . . . . 0.494 HE22 ' HB3' ' A' ' 20' ' ' LEU . 5.3 pp0? -71.02 -39.27 72.44 Favored 'General case' 0 C--O 1.219 -0.532 0 N-CA-C 109.941 -0.392 . . . . 72.3 109.941 -178.493 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 120' ' ' LEU . . . . . 0.461 HD21 ' HD3' ' B' ' 117' ' ' LYS . 1.2 pp -65.73 -38.35 88.89 Favored 'General case' 0 C--N 1.361 1.088 0 N-CA-C 109.487 -0.56 . . . . 74.54 109.487 178.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 4.9 t-80 -51.81 -56.46 13.8 Favored 'General case' 0 C--N 1.357 0.899 0 C-N-CA 123.506 0.722 . . . . 73.1 110.853 172.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 122' ' ' ASP . . . . . 0.498 ' O ' ' HG2' ' B' ' 126' ' ' GLU . 1.6 m-20 -60.7 -44.12 96.94 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 123.982 0.801 . . . . 74.32 111.22 -179.449 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 123' ' ' THR . . . . . 0.608 HG21 ' ND2' ' A' ' 24' ' ' ASN . 42.1 m -65.29 -29.56 70.34 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 124.005 0.922 . . . . 65.54 111.554 -178.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 124' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -78.51 -34.21 47.5 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.76 0.824 . . . . 64.21 110.85 176.15 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 125' ' ' MET . . . . . . . . . . . . . 88.4 mmm -65.65 -33.82 76.77 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 122.833 0.453 . . . . 62.42 110.383 172.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 126' ' ' GLU . . . . . 0.513 ' O ' HD22 ' B' ' 130' ' ' LEU . 14.2 mm-40 -70.98 -47.76 57.07 Favored 'General case' 0 C--O 1.215 -0.731 0 C-N-CA 123.046 0.538 . . . . 75.3 109.931 174.572 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 127' ' ' LEU . . . . . 0.433 HD13 ' HG3' ' A' ' 26' ' ' GLU . 65.1 tp -53.65 -43.95 69.21 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 122.647 0.379 . . . . 70.25 110.757 175.681 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 128' ' ' THR . . . . . . . . . . . . . 33.0 m -62.71 -37.27 85.86 Favored 'General case' 0 C--N 1.355 0.844 0 C-N-CA 123.714 0.806 . . . . 75.41 110.358 175.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -66.44 -47.53 72.87 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 123.908 0.883 . . . . 55.32 111.436 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 130' ' ' LEU . . . . . 0.513 HD22 ' O ' ' B' ' 126' ' ' GLU . 1.2 mm? -64.22 -47.38 79.9 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 122.929 0.492 . . . . 75.11 111.203 -179.148 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 131' ' ' LYS . . . . . 0.546 ' HB2' HE22 ' A' ' 41' ' ' GLN . 0.3 OUTLIER -68.16 -30.47 69.59 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 116.187 -0.46 . . . . 71.15 110.242 -177.923 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 55.2 tp -65.76 -40.54 92.17 Favored 'General case' 0 C--N 1.359 0.999 0 C-N-CA 123.316 0.646 . . . . 71.52 110.181 177.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 133' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -74.88 -21.27 59.33 Favored 'General case' 0 C--O 1.218 -0.589 0 CA-C-N 116.024 -0.535 . . . . 72.12 110.42 177.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 14.9 tp -69.5 -47.74 62.88 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 123.536 0.735 . . . . 74.53 110.597 178.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 135' ' ' GLU . . . . . 0.523 ' HB3' ' HD2' ' B' ' 140' ' ' ARG . 3.8 pt-20 -68.47 -28.75 67.31 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 115.088 -0.96 . . . . 75.41 110.734 175.192 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -77.41 -24.22 50.49 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.147 0.579 . . . . 71.05 112.443 170.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -68.0 -43.18 79.48 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 123.359 0.664 . . . . 73.1 110.291 -178.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 138' ' ' THR . . . . . 0.563 HG21 ' HB3' ' A' ' 39' ' ' GLN . 3.2 t -148.59 -60.73 0.24 Allowed 'General case' 0 CA--C 1.548 0.869 0 CA-C-N 115.492 -0.776 . . . . 72.14 111.531 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 139' ' ' GLN . . . . . 0.485 ' H ' HG23 ' B' ' 138' ' ' THR . 0.6 OUTLIER -178.27 -28.9 0.01 OUTLIER 'General case' 0 C--N 1.354 0.79 0 C-N-CA 124.055 0.942 . . . . 73.44 110.066 178.623 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 140' ' ' ARG . . . . . 0.523 ' HD2' ' HB3' ' B' ' 135' ' ' GLU 0.261 0.0 OUTLIER 63.43 170.21 0.16 Allowed 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 125.111 1.364 . . . . 72.25 112.704 -177.534 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' B' B ' 141' ' ' GLN . . . . . 0.454 ' OE1' ' HA ' ' A' ' 40' ' ' ARG . 5.7 pm0 -59.33 161.44 5.59 Favored 'General case' 0 N--CA 1.487 1.375 0 C-N-CA 123.456 0.702 . . . . 53.02 112.668 -175.343 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -111.3 4.32 19.01 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.974 0.91 . . . . 73.22 110.687 -176.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 69.2 ttt180 -65.55 -60.32 3.05 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.99 0.916 . . . . 60.12 110.035 176.388 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 144' ' ' PHE . . . . . . . . . . . . . 58.4 t80 . . . . . 0 C--O 1.251 1.15 0 C-N-CA 124.32 1.048 . . . . 75.41 108.51 173.729 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 . . . . . 0 N--CA 1.481 1.102 0 CA-C-O 119.139 -0.458 . . . . 74.32 111.643 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -60.02 -7.81 1.99 Allowed 'General case' 0 N--CA 1.491 1.604 0 N-CA-C 114.836 1.421 . . . . 74.24 114.836 -175.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.53 -35.53 78.01 Favored 'General case' 0 CA--C 1.556 1.211 0 N-CA-C 109.561 -0.533 . . . . 73.51 109.561 173.286 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.21 -27.87 60.99 Favored 'General case' 0 C--N 1.36 1.03 0 CA-C-N 115.342 -0.844 . . . . 74.22 110.599 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 25.4 tp -58.36 -42.39 86.81 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-O 121.353 0.597 . . . . 71.43 109.947 178.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -55.31 -54.3 45.25 Favored 'General case' 0 C--N 1.349 0.58 0 CA-C-N 113.568 -1.651 . . . . 75.32 109.9 172.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -58.53 -35.95 73.1 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.253 1.021 . . . . 53.43 112.823 -176.223 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -64.09 -62.68 1.47 Allowed 'General case' 0 N--CA 1.481 1.111 0 O-C-N 123.521 0.513 . . . . 74.24 111.326 -176.288 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.562 HD11 ' CD1' ' B' ' 106' ' ' TYR . 7.9 mt -62.12 -47.2 94.27 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.84 0 O-C-N 123.532 0.52 . . . . 71.21 111.104 178.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.569 ' HA ' ' HB3' ' A' ' 13' ' ' ASN . 0.7 OUTLIER -64.35 -26.2 68.37 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 124.192 0.997 . . . . 71.32 110.964 -175.901 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.11 -49.0 76.15 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 110.172 -0.307 . . . . 54.14 110.172 173.144 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.507 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 38.1 tt0 -71.35 -33.39 69.55 Favored 'General case' 0 C--O 1.205 -1.253 0 CA-C-N 115.954 -0.567 . . . . 71.4 110.231 177.572 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.569 ' HB3' ' HA ' ' A' ' 10' ' ' LEU . 24.6 t-20 -70.83 -44.29 66.81 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 124.366 1.066 . . . . 72.04 110.724 -173.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -64.37 -43.06 95.68 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.595 0.758 . . . . 63.55 109.384 173.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.0 ttpt -56.65 -43.44 80.32 Favored 'General case' 0 C--O 1.214 -0.799 0 O-C-N 124.019 0.824 . . . . 62.45 110.241 175.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' ' 12' ' ' GLU . 84.4 mt -66.76 -34.06 76.99 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.963 0.905 . . . . 74.35 110.901 -178.09 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.56 -37.22 84.5 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 123.561 0.744 . . . . 72.24 109.426 174.04 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.62 -55.97 6.04 Favored 'General case' 0 C--N 1.346 0.42 0 CA-C-N 115.943 -0.571 . . . . 64.43 110.34 -175.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -67.46 -30.28 69.95 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 124.342 1.057 . . . . 73.23 112.184 -175.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.404 ' CB ' HE22 ' B' ' 119' ' ' GLN . 0.7 OUTLIER -68.13 -42.29 80.42 Favored 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 108.368 -0.975 . . . . 65.31 108.368 174.516 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.479 ' O ' ' HG2' ' A' ' 25' ' ' MET . 54.6 t-80 -59.1 -44.26 91.94 Favored 'General case' 0 C--N 1.36 1.035 0 O-C-N 124.225 0.953 . . . . 73.55 109.405 179.626 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -59.8 -51.04 71.43 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 123.941 0.776 . . . . 73.21 110.25 175.131 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.579 HG22 HG22 ' B' ' 123' ' ' THR . 39.5 m -61.6 -30.45 70.69 Favored 'General case' 0 C--N 1.355 0.847 0 O-C-N 124.098 0.874 . . . . 64.21 111.672 -176.338 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.512 ' ND2' HG21 ' B' ' 123' ' ' THR . 5.9 m-80 -77.45 -42.87 34.37 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.133 0.973 . . . . 74.11 110.675 177.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.479 ' HG2' ' O ' ' A' ' 21' ' ' HIS . 86.2 mmm -63.73 -38.83 92.57 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.116 0.567 . . . . 65.11 111.337 177.614 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.428 ' HA ' ' HB3' ' A' ' 29' ' ' ASP . 10.5 pt-20 -85.88 -20.09 29.59 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 123.853 0.721 . . . . 73.54 110.671 -178.062 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.461 ' HB2' ' O ' ' A' ' 23' ' ' THR . 7.3 tt -66.44 -47.95 71.53 Favored 'General case' 0 C--N 1.354 0.764 0 N-CA-C 108.816 -0.809 . . . . 64.35 108.816 168.472 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 24.6 m -73.97 -29.91 62.23 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 123.56 0.744 . . . . 73.42 110.804 -176.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.428 ' HB3' ' HA ' ' A' ' 26' ' ' GLU . 24.5 t70 -61.8 -59.81 4.59 Favored 'General case' 0 C--O 1.242 0.668 0 C-N-CA 124.06 0.944 . . . . 74.2 109.439 172.312 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.518 ' HB3' ' HB3' ' B' ' 130' ' ' LEU . 8.5 mp -56.84 -41.27 77.58 Favored 'General case' 0 C--O 1.205 -1.287 0 O-C-N 124.45 1.094 . . . . 74.12 111.292 178.456 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 38.8 tptt -53.05 -53.43 50.3 Favored 'General case' 0 C--O 1.26 1.644 0 C-N-CA 125.143 1.377 . . . . 72.33 111.437 177.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 36.2 tp -60.25 -57.99 10.44 Favored 'General case' 0 C--O 1.244 0.796 0 CA-C-N 114.291 -1.322 . . . . 74.03 110.386 -173.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -66.14 -32.8 74.47 Favored 'General case' 0 CA--C 1.55 0.945 0 CA-C-N 115.193 -0.912 . . . . 55.42 111.923 -179.003 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.464 ' HB2' ' O ' ' A' ' 30' ' ' LEU . 1.5 tm? -53.19 -61.4 2.32 Favored 'General case' 0 N--CA 1.483 1.214 0 N-CA-C 109.081 -0.711 . . . . 70.13 109.081 -175.15 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -71.04 -21.57 62.24 Favored 'General case' 0 CA--C 1.546 0.826 0 O-C-N 126.527 2.392 . . . . 73.31 112.906 -178.022 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 57.4 mtpt -66.0 -12.54 55.85 Favored 'General case' 0 N--CA 1.496 1.855 0 CA-C-N 118.172 0.442 . . . . 71.41 111.854 165.067 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 83.15 58.51 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 126.253 1.821 . . . . 71.13 109.99 174.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 89.9 m -103.59 165.3 11.12 Favored 'General case' 0 CA--C 1.552 1.045 0 CA-C-N 114.163 -1.381 . . . . 64.23 111.31 -175.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.424 ' HB3' HG21 ' B' ' 138' ' ' THR . 5.0 pp0? -120.87 -39.82 2.69 Favored 'General case' 0 C--N 1.359 0.987 0 C-N-CA 123.461 0.704 . . . . 64.54 112.271 -179.353 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 58.4 ttp180 -106.09 142.26 36.09 Favored 'General case' 0 N--CA 1.481 1.099 0 O-C-N 121.613 -0.68 . . . . 71.12 110.029 -179.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -109.89 159.76 16.96 Favored 'General case' 0 C--O 1.24 0.594 0 CA-C-N 115.27 -0.877 . . . . 73.54 109.84 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -137.7 77.59 1.64 Allowed 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 107.771 -1.196 . . . . 65.33 107.771 178.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 13.7 mtm-85 -82.03 -54.32 5.4 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 114.592 -1.185 . . . . 74.42 109.095 174.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 80.4 t80 . . . . . 0 N--CA 1.477 0.902 0 CA-C-N 115.181 -0.918 . . . . 73.02 110.052 177.746 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 29.3 t70 . . . . . 0 C--O 1.236 0.387 0 CA-C-O 121.605 0.717 . . . . 65.45 109.732 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 102' ' ' PHE . . . . . 0.403 ' HD2' HD23 ' B' ' 105' ' ' LEU . 89.7 m-85 -72.38 -6.6 44.6 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 114.23 -1.35 . . . . 60.34 113.312 -174.698 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.41 -34.69 74.31 Favored 'General case' 0 C--N 1.354 0.78 0 N-CA-C 110.131 -0.322 . . . . 74.01 110.131 177.206 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 104' ' ' LYS . . . . . 0.443 ' O ' ' HG2' ' B' ' 108' ' ' GLN . 0.0 OUTLIER -64.19 -39.37 93.86 Favored 'General case' 0 C--N 1.362 1.126 0 CA-C-O 118.261 -0.876 . . . . 74.34 110.922 176.277 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . 0.403 HD23 ' HD2' ' B' ' 102' ' ' PHE . 0.3 OUTLIER -59.28 -43.31 92.56 Favored 'General case' 0 C--N 1.374 1.633 0 N-CA-C 108.167 -1.049 . . . . 75.42 108.167 -177.861 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 106' ' ' TYR . . . . . 0.562 ' CD1' HD11 ' A' ' 9' ' ' ILE . 41.7 t80 -56.5 -56.05 26.11 Favored 'General case' 0 C--N 1.363 1.176 0 O-C-N 124.744 1.277 . . . . 74.11 109.428 177.542 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -63.49 -37.65 88.11 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.106 0.962 . . . . 63.01 113.147 -172.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 108' ' ' GLN . . . . . 0.443 ' HG2' ' O ' ' B' ' 104' ' ' LYS . 9.6 mm-40 -70.31 -55.76 8.39 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 122.355 0.262 . . . . 53.25 111.272 -176.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 28.4 mt -61.19 -38.65 80.2 Favored 'Isoleucine or valine' 0 C--N 1.363 1.172 0 O-C-N 123.613 0.571 . . . . 75.31 110.125 178.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 110' ' ' LEU . . . . . 0.471 ' HA ' ' HB3' ' B' ' 113' ' ' ASN . 2.1 tm? -71.82 -31.18 66.28 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 123.985 0.914 . . . . 74.52 110.612 -178.394 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -62.33 -46.37 89.03 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 110.079 -0.341 . . . . 73.21 110.079 174.114 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 112' ' ' GLU . . . . . 0.434 ' O ' ' HG ' ' B' ' 116' ' ' LEU . 3.1 tp10 -66.99 -42.37 85.18 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-N 115.63 -0.714 . . . . 75.45 110.513 176.554 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 113' ' ' ASN . . . . . 0.471 ' HB3' ' HA ' ' B' ' 110' ' ' LEU . 26.0 t-20 -63.09 -45.77 90.52 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 125.328 1.451 . . . . 65.45 111.302 -176.014 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -55.19 -49.39 72.05 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.934 1.293 . . . . 73.11 110.304 171.339 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 17.4 ttpt -62.17 -36.87 83.2 Favored 'General case' 0 C--N 1.349 0.558 0 CA-C-N 115.16 -0.927 . . . . 72.44 110.454 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 116' ' ' LEU . . . . . 0.504 ' HB3' ' HB3' ' A' ' 16' ' ' LEU . 81.4 mt -71.85 -24.11 61.64 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 123.678 0.611 . . . . 72.34 111.241 -176.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . 0.708 ' HA ' HD23 ' B' ' 120' ' ' LEU . 45.6 mtmt -82.06 -29.44 31.87 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 122.612 0.365 . . . . 73.21 111.276 173.23 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -72.53 -45.27 60.1 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.178 0.591 . . . . 61.44 110.504 177.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 119' ' ' GLN . . . . . 0.421 ' HG3' ' HA ' ' B' ' 116' ' ' LEU . 5.1 pp0? -73.56 -37.55 65.49 Favored 'General case' 0 C--N 1.345 0.406 0 CA-C-N 115.471 -0.786 . . . . 72.51 110.915 -177.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 120' ' ' LEU . . . . . 0.708 HD23 ' HA ' ' B' ' 117' ' ' LYS . 0.4 OUTLIER -63.1 -40.45 97.68 Favored 'General case' 0 C--N 1.369 1.451 0 N-CA-C 108.883 -0.784 . . . . 74.33 108.883 177.624 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 121' ' ' HIS . . . . . 0.503 ' O ' ' HG2' ' B' ' 125' ' ' MET . 33.4 t-80 -58.09 -45.48 87.12 Favored 'General case' 0 C--N 1.358 0.963 0 O-C-N 124.207 0.942 . . . . 71.02 110.034 178.305 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -60.18 -48.67 80.76 Favored 'General case' 0 CA--C 1.548 0.873 0 O-C-N 124.352 1.033 . . . . 73.44 110.884 177.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 123' ' ' THR . . . . . 0.579 HG22 HG22 ' A' ' 23' ' ' THR . 8.0 m -66.45 -29.56 69.72 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 124.385 1.074 . . . . 53.52 111.089 -178.625 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 124' ' ' ASN . . . . . 0.52 ' ND2' HG21 ' A' ' 23' ' ' THR . 1.0 OUTLIER -74.33 -35.4 63.62 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.303 0.641 . . . . 72.32 110.545 177.42 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 125' ' ' MET . . . . . 0.503 ' HG2' ' O ' ' B' ' 121' ' ' HIS . 93.3 mmm -64.36 -37.74 88.58 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 122.789 0.435 . . . . 62.44 110.704 174.25 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -66.37 -44.5 82.97 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 116.003 -0.544 . . . . 70.32 110.322 175.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 46.3 tp -60.23 -38.99 85.11 Favored 'General case' 0 CA--C 1.555 1.167 0 C-N-CA 123.614 0.765 . . . . 71.12 110.703 177.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 128' ' ' THR . . . . . . . . . . . . . 91.2 m -63.41 -37.81 88.71 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 124.253 1.021 . . . . 74.12 110.519 175.277 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 129' ' ' ASP . . . . . 0.422 ' O ' ' HG3' ' B' ' 133' ' ' GLN . 9.1 t70 -63.71 -45.06 91.69 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.649 0.78 . . . . 74.31 110.89 177.397 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 130' ' ' LEU . . . . . 0.518 ' HB3' ' HB3' ' A' ' 30' ' ' LEU . 1.5 mm? -63.69 -45.89 87.98 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 111.807 0.299 . . . . 62.14 111.807 -177.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.8 -30.79 70.3 Favored 'General case' 0 N--CA 1.483 1.177 0 O-C-N 123.351 0.407 . . . . 72.34 110.264 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 51.5 tp -72.09 -38.28 69.41 Favored 'General case' 0 C--N 1.357 0.911 0 C-N-CA 123.082 0.553 . . . . 75.45 110.187 178.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 133' ' ' GLN . . . . . 0.422 ' HG3' ' O ' ' B' ' 129' ' ' ASP . 40.0 mt-30 -74.71 -21.55 59.32 Favored 'General case' 0 C--O 1.215 -0.756 0 N-CA-C 110.223 -0.288 . . . . 74.41 110.223 175.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 12.2 tp -68.36 -45.12 73.65 Favored 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 124.475 1.11 . . . . 62.24 109.056 -178.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 135' ' ' GLU . . . . . 0.634 ' HB3' ' HD2' ' B' ' 140' ' ' ARG . 6.4 pt-20 -74.79 -30.28 61.38 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 114.3 -1.318 . . . . 71.22 111.762 175.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -80.57 -16.06 55.12 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 122.473 0.309 . . . . 74.55 111.581 174.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -74.65 -45.65 43.26 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 109.61 -0.515 . . . . 63.04 109.61 174.08 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 138' ' ' THR . . . . . 0.503 HG23 ' H ' ' B' ' 139' ' ' GLN . 1.4 t -143.86 -69.18 0.32 Allowed 'General case' 0 CA--C 1.556 1.21 0 CA-C-N 115.546 -0.752 . . . . 75.14 111.191 179.652 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 139' ' ' GLN . . . . . 0.503 ' H ' HG23 ' B' ' 138' ' ' THR . 0.4 OUTLIER -173.77 -22.26 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.787 0.835 . . . . 75.44 110.927 -178.53 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 140' ' ' ARG . . . . . 0.634 ' HD2' ' HB3' ' B' ' 135' ' ' GLU 0.256 0.0 OUTLIER 69.04 165.89 0.26 Allowed 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 125.704 1.601 . . . . 73.32 112.238 177.36 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' B' B ' 141' ' ' GLN . . . . . 0.493 ' NE2' ' HG2' ' B' ' 140' ' ' ARG . 0.6 OUTLIER -66.55 147.47 53.23 Favored 'General case' 0 C--N 1.36 1.032 0 CA-C-O 121.219 0.533 . . . . 73.43 111.247 -175.467 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -102.35 18.59 20.65 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.332 1.053 . . . . 53.33 109.907 -171.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 7.0 ttp180 -51.81 -55.76 17.99 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.043 1.337 . . . . 64.33 110.883 172.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 144' ' ' PHE . . . . . . . . . . . . . 74.5 t80 . . . . . 0 CA--C 1.546 0.798 0 N-CA-C 107.234 -1.395 . . . . 74.02 107.234 171.338 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 . . . . . 0 N--CA 1.474 0.772 0 N-CA-C 110.614 -0.143 . . . . 74.51 110.614 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.504 ' HD2' HD22 ' A' ' 5' ' ' LEU . 51.4 m-85 -64.71 -6.72 8.5 Favored 'General case' 0 N--CA 1.485 1.318 0 N-CA-C 113.91 1.078 . . . . 70.25 113.91 177.317 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.549 ' HD3' ' H ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -67.39 -35.22 78.88 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 122.391 0.276 . . . . 64.35 110.309 176.363 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.549 ' H ' ' HD3' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -78.97 -24.94 43.5 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-O 118.966 -0.54 . . . . 71.41 110.363 177.155 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.504 HD22 ' HD2' ' A' ' 2' ' ' PHE . 17.7 tp -58.31 -46.89 85.3 Favored 'General case' 0 N--CA 1.485 1.286 0 CA-C-O 121.472 0.653 . . . . 64.2 109.518 174.793 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -55.79 -53.57 55.01 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-N 113.657 -1.61 . . . . 74.33 109.922 172.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -58.8 -36.34 74.32 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 113.231 0.826 . . . . 61.22 113.231 -176.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.441 ' HG2' ' O ' ' A' ' 4' ' ' LYS . 8.4 mm-40 -63.65 -66.35 0.55 Allowed 'General case' 0 N--CA 1.482 1.137 0 O-C-N 123.333 0.395 . . . . 71.45 111.412 -177.801 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.565 HD13 ' HB2' ' B' ' 110' ' ' LEU . 16.2 mt -59.37 -42.1 86.43 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.061 0 O-C-N 123.246 0.341 . . . . 73.24 111.109 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.544 ' HA ' ' HB3' ' A' ' 13' ' ' ASN . 0.9 OUTLIER -67.51 -26.91 66.57 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 124.039 0.936 . . . . 73.42 111.191 -176.044 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.29 -47.43 70.63 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-O 120.61 0.243 . . . . 64.35 110.849 175.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.463 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 34.7 tt0 -69.91 -36.16 75.15 Favored 'General case' 0 C--O 1.21 -0.977 0 CA-C-N 115.748 -0.66 . . . . 64.14 109.972 176.687 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.544 ' HB3' ' HA ' ' A' ' 10' ' ' LEU . 20.3 t-20 -63.33 -41.1 98.86 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 124.979 1.312 . . . . 71.14 110.321 -179.284 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -61.07 -48.78 80.12 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 115.042 -0.981 . . . . 72.55 109.617 173.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.4 ttpt -60.33 -41.66 94.03 Favored 'General case' 0 C--O 1.215 -0.761 0 CA-C-N 114.9 -1.046 . . . . 75.22 110.578 -179.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 12' ' ' GLU . 98.3 mt -67.34 -32.92 74.19 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.067 0.947 . . . . 70.2 110.396 -177.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.417 ' HA ' HD23 ' A' ' 20' ' ' LEU . 0.3 OUTLIER -68.9 -33.97 74.64 Favored 'General case' 0 CA--C 1.552 1.052 0 C-N-CA 124.301 1.04 . . . . 75.05 109.703 174.562 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.36 -55.91 5.23 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 116.085 -0.507 . . . . 60.01 110.881 -177.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -63.33 -31.28 72.39 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.572 0.749 . . . . 74.44 111.955 -179.279 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' A' ' 17' ' ' LYS . 0.6 OUTLIER -65.84 -43.58 88.09 Favored 'General case' 0 N--CA 1.483 1.18 0 N-CA-C 109.562 -0.533 . . . . 54.03 109.562 173.213 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 81.3 t60 -55.94 -46.64 78.45 Favored 'General case' 0 C--N 1.363 1.194 0 O-C-N 123.671 0.607 . . . . 51.24 109.476 178.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -59.69 -47.02 87.28 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.448 -0.797 . . . . 74.32 110.992 177.029 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.569 HG22 HG22 ' B' ' 123' ' ' THR . 17.2 m -70.64 -25.75 63.15 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 122.921 0.488 . . . . 62.52 111.619 -176.078 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.558 ' ND2' HG21 ' B' ' 123' ' ' THR . 1.2 m-80 -78.7 -39.24 37.12 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 122.911 0.484 . . . . 72.34 109.944 176.655 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 79.3 mmm -66.48 -44.24 83.23 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.372 0.669 . . . . 63.31 111.4 177.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.5 ' HG2' ' HA ' ' A' ' 23' ' ' THR . 13.2 pt-20 -76.15 -21.61 56.37 Favored 'General case' 0 C--O 1.204 -1.32 0 CA-C-O 118.941 -0.552 . . . . 74.24 110.381 178.69 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.8 tt -68.13 -47.98 66.65 Favored 'General case' 0 N--CA 1.485 1.293 0 N-CA-C 109.075 -0.713 . . . . 74.23 109.075 169.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 86.5 m -59.11 -42.0 89.52 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.125 0.97 . . . . 61.41 109.94 179.016 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -71.11 -42.04 69.78 Favored 'General case' 0 C--O 1.221 -0.439 0 CA-C-N 115.139 -0.937 . . . . 53.43 110.253 178.204 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.613 ' HA ' HE21 ' A' ' 33' ' ' GLN . 0.6 OUTLIER -62.92 -43.08 99.78 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.109 0.564 . . . . 74.44 110.891 -175.361 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.419 ' HD3' ' N ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -73.36 -39.75 64.92 Favored 'General case' 0 C--O 1.244 0.771 0 O-C-N 123.581 0.551 . . . . 72.51 110.896 -179.104 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.419 ' N ' ' HD3' ' A' ' 31' ' ' LYS . 52.1 tp -63.48 -54.11 41.59 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.316 0.646 . . . . 72.4 110.101 -178.539 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.613 HE21 ' HA ' ' A' ' 30' ' ' LEU . 26.9 pt20 -61.8 -44.64 96.47 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 115.796 -0.638 . . . . 75.44 110.244 -179.138 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 13.8 tp -42.0 -67.74 0.24 Allowed 'General case' 0 C--O 1.248 1.006 0 C-N-CA 125.288 1.435 . . . . 73.12 110.841 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -68.37 -26.52 65.62 Favored 'General case' 0 C--N 1.355 0.821 0 O-C-N 126.12 2.137 . . . . 62.31 112.565 -173.248 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -70.09 -11.43 60.88 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 123.043 0.537 . . . . 73.02 111.176 170.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 81.54 41.68 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 126.562 1.945 . . . . 74.33 108.452 176.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 97.7 m -117.16 146.82 42.96 Favored 'General case' 0 N--CA 1.486 1.329 0 CA-C-N 113.498 -1.683 . . . . 64.21 110.545 -167.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.443 ' HG3' ' N ' ' A' ' 40' ' ' ARG . 8.3 pt20 -108.25 -49.93 3.12 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.834 0.853 . . . . 63.43 112.427 -172.8 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.443 ' N ' ' HG3' ' A' ' 39' ' ' GLN . 41.7 ttm180 -83.42 141.86 31.4 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.058 0.543 . . . . 62.41 110.439 -172.364 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.515 ' HB3' HE22 ' A' ' 33' ' ' GLN . 6.0 pt20 -135.19 162.29 32.96 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 124.554 1.142 . . . . 75.21 111.497 -161.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.31 -11.46 49.43 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-N 115.643 -0.708 . . . . 74.34 110.852 -177.33 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.608 ' HE ' ' HB2' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -38.16 -51.25 1.44 Allowed 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 126.981 2.112 . . . . 73.33 111.164 172.292 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.608 ' HB2' ' HE ' ' A' ' 43' ' ' ARG . 13.2 t80 . . . . . 0 N--CA 1.472 0.625 0 CA-C-N 115.113 -0.949 . . . . 74.13 109.196 174.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 . . . . . 0 CA--C 1.531 0.221 0 CA-C-O 121.683 0.754 . . . . 51.12 109.849 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 102' ' ' PHE . . . . . 0.438 ' O ' ' HG ' ' B' ' 105' ' ' LEU . 85.8 m-85 -98.89 -4.35 33.15 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 114.436 -1.256 . . . . 73.51 110.3 177.119 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 103' ' ' LYS . . . . . 0.462 ' O ' ' HG2' ' B' ' 107' ' ' GLU . 0.0 OUTLIER -59.78 -33.44 71.71 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 109.331 -0.618 . . . . 65.14 109.331 176.15 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 104' ' ' LYS . . . . . 0.442 ' O ' ' HG2' ' B' ' 108' ' ' GLN . 0.0 OUTLIER -70.02 -35.73 74.56 Favored 'General case' 0 C--O 1.217 -0.637 0 CA-C-N 114.796 -1.093 . . . . 43.01 110.755 179.231 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . 0.438 ' HG ' ' O ' ' B' ' 102' ' ' PHE . 0.5 OUTLIER -61.07 -41.73 97.19 Favored 'General case' 0 C--N 1.371 1.525 0 N-CA-C 108.403 -0.962 . . . . 74.42 108.403 178.252 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 106' ' ' TYR . . . . . 0.518 ' CD1' HD11 ' A' ' 9' ' ' ILE . 36.0 t80 -57.56 -46.54 83.81 Favored 'General case' 0 C--N 1.355 0.819 0 O-C-N 124.447 1.092 . . . . 75.12 110.37 177.05 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 107' ' ' GLU . . . . . 0.462 ' HG2' ' O ' ' B' ' 103' ' ' LYS . 17.4 mm-40 -65.91 -42.98 89.47 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 115.581 -0.736 . . . . 74.24 112.14 -178.571 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 108' ' ' GLN . . . . . 0.442 ' HG2' ' O ' ' B' ' 104' ' ' LYS . 6.8 mm-40 -65.99 -52.81 46.08 Favored 'General case' 0 N--CA 1.48 1.026 0 O-C-N 123.294 0.371 . . . . 64.41 111.275 -174.768 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 11.5 mt -71.08 -38.18 70.39 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 CA-C-N 116.391 -0.368 . . . . 70.42 111.04 -175.281 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 110' ' ' LEU . . . . . 0.565 ' HB2' HD13 ' A' ' 9' ' ' ILE . 17.5 tp -76.48 -25.23 54.08 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 122.459 0.304 . . . . 75.34 111.424 -178.703 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -63.91 -44.0 94.27 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 109.373 -0.602 . . . . 55.21 109.373 167.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 112' ' ' GLU . . . . . 0.406 ' O ' ' HG ' ' B' ' 116' ' ' LEU . 5.0 tp10 -67.37 -38.95 85.58 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 115.179 -0.919 . . . . 51.11 110.364 177.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -66.86 -37.07 83.75 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 124.824 1.25 . . . . 70.11 110.284 -177.101 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -59.77 -53.81 53.64 Favored 'General case' 0 C--N 1.353 0.743 0 CA-C-N 114.907 -1.042 . . . . 72.45 110.03 171.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 20.8 ttpt -56.31 -42.84 78.25 Favored 'General case' 0 C--N 1.35 0.606 0 CA-C-N 115.605 -0.725 . . . . 62.35 110.13 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 116' ' ' LEU . . . . . 0.42 ' HB3' ' HB3' ' A' ' 16' ' ' LEU . 84.4 mt -65.02 -30.09 71.05 Favored 'General case' 0 C--N 1.349 0.57 0 CA-C-N 115.103 -0.953 . . . . 73.32 111.377 -178.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.4 -40.99 73.59 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 123.387 0.675 . . . . 74.4 110.344 178.637 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -76.47 -46.08 28.38 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 115.591 -0.731 . . . . 73.44 111.637 -177.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -65.38 -35.7 81.76 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.116 0.566 . . . . 72.23 110.846 -178.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.75 -46.42 75.45 Favored 'General case' 0 C--N 1.36 1.045 0 N-CA-C 109.255 -0.646 . . . . 73.43 109.255 177.25 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 57.9 t-80 -62.98 -34.47 77.6 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-O 121.21 0.529 . . . . 55.31 110.844 -179.163 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 122' ' ' ASP . . . . . 0.488 ' O ' ' HG2' ' B' ' 126' ' ' GLU . 23.3 t70 -65.85 -50.16 65.58 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 114.565 -1.198 . . . . 73.0 109.907 176.314 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 123' ' ' THR . . . . . 0.569 HG22 HG22 ' A' ' 23' ' ' THR . 24.3 m -69.58 -26.42 64.46 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 123.375 0.67 . . . . 63.03 110.995 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 124' ' ' ASN . . . . . 0.47 ' ND2' HG21 ' A' ' 23' ' ' THR . 0.9 OUTLIER -74.14 -36.17 64.14 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.569 0.748 . . . . 64.34 110.059 178.509 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 125' ' ' MET . . . . . . . . . . . . . 24.7 ptt? -81.06 -24.7 37.64 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 122.079 0.151 . . . . 72.32 110.658 179.424 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 126' ' ' GLU . . . . . 0.488 ' HG2' ' O ' ' B' ' 122' ' ' ASP . 19.5 mm-40 -69.02 -41.8 77.23 Favored 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 109.22 -0.659 . . . . 52.25 109.22 170.323 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 127' ' ' LEU . . . . . 0.439 HD13 ' HG3' ' A' ' 26' ' ' GLU . 57.9 tp -59.17 -43.45 92.15 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 114.92 -1.036 . . . . 55.32 110.577 173.065 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 128' ' ' THR . . . . . . . . . . . . . 91.4 m -63.9 -37.79 88.7 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.899 0.879 . . . . 75.33 110.694 177.086 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -63.26 -42.87 99.22 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.644 1.178 . . . . 61.24 110.459 177.233 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 130' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' B' ' 126' ' ' GLU . 96.8 mt -75.06 -36.39 61.81 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 115.517 -0.765 . . . . 54.04 111.837 -175.412 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.55 -27.32 55.87 Favored 'General case' 0 N--CA 1.487 1.412 0 CA-C-N 117.857 0.299 . . . . 70.42 111.175 179.538 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 58.1 tp -63.98 -49.26 73.19 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 108.962 -0.755 . . . . 65.11 108.962 170.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 133' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -65.12 -30.6 71.55 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-N 115.314 -0.857 . . . . 73.5 111.003 175.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 19.5 tp -60.59 -49.96 75.45 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 124.124 0.969 . . . . 64.43 110.153 -176.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 135' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -70.14 -29.54 66.49 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 114.345 -1.298 . . . . 71.51 111.389 177.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 58.9 mtpt -72.27 -30.74 65.13 Favored 'General case' 0 N--CA 1.484 1.226 0 N-CA-C 112.602 0.593 . . . . 72.03 112.602 174.224 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -79.44 -65.96 0.93 Allowed 'General case' 0 N--CA 1.481 1.099 0 CA-C-O 121.143 0.497 . . . . 62.03 110.034 -176.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 138' ' ' THR . . . . . 0.462 HG23 ' H ' ' B' ' 139' ' ' GLN . 0.0 OUTLIER -95.1 -80.56 0.41 Allowed 'General case' 0 CA--C 1.551 1.003 0 CA-C-N 115.296 -0.866 . . . . 73.32 109.214 176.898 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 139' ' ' GLN . . . . . 0.462 ' H ' HG23 ' B' ' 138' ' ' THR . 0.7 OUTLIER 179.59 -26.41 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 125.134 1.374 . . . . 74.33 110.179 179.473 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 140' ' ' ARG . . . . . . . . . . . . . 23.2 ttt180 70.31 135.42 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.76 0 C-N-CA 125.114 1.366 . . . . 73.31 110.923 179.208 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 5.7 pm0 -72.87 153.06 41.2 Favored 'General case' 0 N--CA 1.486 1.354 0 N-CA-C 109.762 -0.458 . . . . 64.31 109.762 175.41 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.66 80.65 1.34 Allowed 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.202 1.001 . . . . 74.22 110.191 -174.559 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 67.1 mtp180 -59.68 -47.45 85.57 Favored 'General case' 0 CA--C 1.549 0.924 0 CA-C-N 114.37 -1.286 . . . . 54.53 110.591 177.073 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 144' ' ' PHE . . . . . . . . . . . . . 64.5 t80 . . . . . 0 CA--C 1.552 1.051 0 C-N-CA 124.481 1.112 . . . . 72.13 108.219 172.842 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 20.9 p-10 . . . . . 0 N--CA 1.48 1.048 0 CA-C-O 120.783 0.325 . . . . 75.11 111.342 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.426 ' HD1' HD22 ' A' ' 5' ' ' LEU . 51.5 m-85 -66.81 -13.35 61.41 Favored 'General case' 0 N--CA 1.484 1.226 0 N-CA-C 114.356 1.243 . . . . 65.4 114.356 -174.458 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.472 ' HD3' ' H ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -65.99 -36.97 84.74 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-O 121.275 0.56 . . . . 74.2 109.719 177.069 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.472 ' H ' ' HD3' ' A' ' 3' ' ' LYS . 0.1 OUTLIER -83.95 -27.59 28.4 Favored 'General case' 0 C--O 1.211 -0.95 0 CA-C-N 115.126 -0.943 . . . . 61.31 109.082 -178.121 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.426 HD22 ' HD1' ' A' ' 2' ' ' PHE . 19.4 tp -56.03 -46.14 78.95 Favored 'General case' 0 N--CA 1.488 1.446 0 CA-C-O 121.649 0.738 . . . . 70.4 109.794 176.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 22.4 t80 -56.26 -51.34 68.51 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 113.484 -1.689 . . . . 75.52 110.051 172.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -58.71 -36.44 74.27 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.216 1.007 . . . . 75.41 112.858 -178.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.424 ' HG2' ' O ' ' A' ' 4' ' ' LYS . 11.8 mm-40 -65.75 -63.91 0.98 Allowed 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 122.803 0.441 . . . . 63.41 111.593 -175.38 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.439 HD11 ' CD2' ' B' ' 106' ' ' TYR . 19.8 mt -63.44 -40.5 89.27 Favored 'Isoleucine or valine' 0 C--N 1.362 1.111 0 O-C-N 123.208 0.318 . . . . 72.51 110.95 179.72 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.16 -29.9 69.73 Favored 'General case' 0 N--CA 1.496 1.838 0 C-N-CA 123.078 0.551 . . . . 72.22 110.623 -177.021 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.78 -48.82 80.09 Favored 'General case' 0 N--CA 1.482 1.139 0 N-CA-C 109.194 -0.669 . . . . 75.33 109.194 174.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.535 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 5.0 tp10 -65.52 -39.94 92.39 Favored 'General case' 0 CA--C 1.55 0.972 0 CA-C-N 114.691 -1.14 . . . . 62.34 110.975 175.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -68.9 -41.05 78.76 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 124.487 1.115 . . . . 74.21 110.605 -171.055 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -75.3 -30.34 60.33 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 114.916 -1.038 . . . . 70.42 109.17 178.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.9 ttpt -63.54 -41.71 98.45 Favored 'General case' 0 C--N 1.362 1.113 0 N-CA-C 108.485 -0.931 . . . . 73.14 108.485 174.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' A' ' 12' ' ' GLU . 95.0 mt -67.16 -30.64 70.66 Favored 'General case' 0 C--N 1.362 1.113 0 C-N-CA 124.213 1.005 . . . . 71.44 111.009 179.71 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.408 ' HA ' HD23 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -67.38 -38.54 84.9 Favored 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 123.45 0.7 . . . . 72.15 110.43 173.558 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.41 -46.46 40.06 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 115.351 -0.841 . . . . 72.02 111.551 -175.041 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -74.28 -28.16 61.07 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.76 0.824 . . . . 74.33 112.1 -179.107 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.444 ' HB3' HE22 ' B' ' 119' ' ' GLN . 1.1 pp -66.22 -44.96 82.31 Favored 'General case' 0 N--CA 1.484 1.263 0 N-CA-C 108.292 -1.003 . . . . 63.12 108.292 173.556 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -60.51 -42.14 95.79 Favored 'General case' 0 C--N 1.352 0.686 0 O-C-N 123.817 0.698 . . . . 70.11 110.45 -179.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -59.16 -53.37 59.05 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.886 0.874 . . . . 73.01 110.502 176.476 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.532 HG21 ' ND2' ' B' ' 124' ' ' ASN . 24.8 m -69.59 -30.39 68.15 Favored 'General case' 0 CA--C 1.55 0.947 0 O-C-N 123.969 0.793 . . . . 73.22 111.403 -175.625 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.48 ' ND2' HG21 ' B' ' 123' ' ' THR . 1.1 m-80 -70.27 -51.51 29.98 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.002 0.521 . . . . 73.42 109.767 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 25.8 mmt -70.11 -40.97 74.59 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 115.817 -0.629 . . . . 71.51 112.144 -175.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.465 ' HG2' ' HA ' ' A' ' 23' ' ' THR . 1.5 pt-20 -66.6 -35.21 79.66 Favored 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 110.184 -0.302 . . . . 72.22 110.184 178.435 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.74 HD11 ' HB2' ' B' ' 126' ' ' GLU . 8.5 tt -60.8 -47.76 84.88 Favored 'General case' 0 C--N 1.362 1.118 0 O-C-N 123.972 0.795 . . . . 74.01 109.634 172.629 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 81.1 m -55.68 -47.41 76.79 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 123.994 0.918 . . . . 73.04 111.017 -177.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -61.79 -49.18 77.36 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 124.305 1.042 . . . . 74.3 110.833 176.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.748 ' HA ' HE21 ' A' ' 33' ' ' GLN . 16.9 tp -70.13 -36.2 74.63 Favored 'General case' 0 CA--C 1.555 1.149 0 CA-C-N 114.724 -1.125 . . . . 74.45 110.828 -170.217 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.9 -29.89 39.99 Favored 'General case' 0 N--CA 1.494 1.736 0 C-N-CA 123.202 0.601 . . . . 74.4 111.134 -179.05 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.3 tp -56.53 -63.03 1.33 Allowed 'General case' 0 C--N 1.347 0.489 0 O-C-N 124.258 0.973 . . . . 72.33 109.305 175.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.748 HE21 ' HA ' ' A' ' 30' ' ' LEU . 27.5 pt20 -64.36 -32.23 73.76 Favored 'General case' 0 CA--C 1.55 0.974 0 CA-C-N 115.55 -0.75 . . . . 64.12 111.55 -178.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.438 HD12 HD13 ' B' ' 130' ' ' LEU . 0.1 OUTLIER -47.52 -69.66 0.12 Allowed 'General case' 0 N--CA 1.494 1.765 0 C-N-CA 124.086 0.954 . . . . 74.32 109.695 178.154 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.65 -17.38 59.19 Favored 'General case' 0 C--N 1.356 0.862 0 O-C-N 125.953 2.033 . . . . 75.35 112.716 -171.378 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -68.88 -13.51 62.47 Favored 'General case' 0 N--CA 1.491 1.619 0 C-N-CA 122.579 0.352 . . . . 63.53 110.383 163.027 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 82.01 63.74 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 126.228 1.811 . . . . 52.33 108.511 171.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.652 HG23 ' HB ' ' B' ' 138' ' ' THR . 13.1 t -55.67 150.36 12.64 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-N 112.623 -2.08 . . . . 74.31 113.632 -171.541 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.53 -12.46 12.9 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 114.148 -1.387 . . . . 73.33 110.589 178.376 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.472 ' HG3' ' HG2' ' B' ' 140' ' ' ARG . 55.8 ttt-85 -175.92 139.02 0.37 Allowed 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.787 1.235 . . . . 75.3 108.694 -177.513 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 16.3 pm0 -116.19 -53.22 2.56 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 108.236 -1.024 . . . . 65.01 108.236 169.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.534 ' H ' HE22 ' B' ' 141' ' ' GLN . 20.0 tt0 42.46 44.17 3.39 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 126.241 1.816 . . . . 74.25 112.301 177.677 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 76.7 mtm180 -63.84 -43.58 95.75 Favored 'General case' 0 N--CA 1.481 1.12 0 CA-C-N 115.519 -0.764 . . . . 72.13 110.239 -175.038 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 70.2 t80 . . . . . 0 N--CA 1.482 1.134 0 CA-C-N 115.447 -0.797 . . . . 64.54 109.305 169.294 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 . . . . . 0 N--CA 1.472 0.662 0 N-CA-C 111.662 0.245 . . . . 73.22 111.662 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 102' ' ' PHE . . . . . 0.48 ' HD2' HD23 ' B' ' 105' ' ' LEU . 88.6 m-85 -72.94 -2.92 22.82 Favored 'General case' 0 N--CA 1.485 1.316 0 N-CA-C 113.489 0.922 . . . . 71.43 113.489 -176.523 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 103' ' ' LYS . . . . . 0.441 ' HD3' ' N ' ' B' ' 104' ' ' LYS . 0.0 OUTLIER -60.33 -32.12 70.94 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-O 121.379 0.609 . . . . 70.53 109.807 176.551 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 104' ' ' LYS . . . . . 0.441 ' N ' ' HD3' ' B' ' 103' ' ' LYS . 0.0 OUTLIER -71.86 -36.21 70.07 Favored 'General case' 0 C--O 1.214 -0.795 0 CA-C-N 114.583 -1.19 . . . . 52.23 110.611 179.764 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . 0.48 HD23 ' HD2' ' B' ' 102' ' ' PHE . 0.4 OUTLIER -60.34 -43.52 96.37 Favored 'General case' 0 C--N 1.375 1.691 0 N-CA-C 107.873 -1.158 . . . . 73.13 107.873 179.87 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 106' ' ' TYR . . . . . 0.439 ' CD2' HD11 ' A' ' 9' ' ' ILE . 29.6 t80 -57.5 -47.58 81.54 Favored 'General case' 0 C--N 1.358 0.943 0 CA-C-N 114.757 -1.11 . . . . 62.54 109.836 176.728 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 107' ' ' GLU . . . . . 0.409 ' HG2' ' O ' ' B' ' 103' ' ' LYS . 52.6 mm-40 -64.28 -42.87 96.21 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.814 0.845 . . . . 71.54 113.039 -178.184 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 108' ' ' GLN . . . . . 0.431 ' HG2' ' O ' ' B' ' 104' ' ' LYS . 11.5 mm-40 -69.15 -52.3 29.51 Favored 'General case' 0 N--CA 1.484 1.227 0 O-C-N 123.209 0.318 . . . . 73.25 110.788 -172.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . 0.404 HG22 HG22 ' A' ' 9' ' ' ILE . 23.6 mt -67.55 -35.01 71.79 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.012 0 O-C-N 123.666 0.604 . . . . 75.34 110.501 -177.396 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -73.26 -32.63 64.81 Favored 'General case' 0 N--CA 1.491 1.623 0 C-N-CA 123.266 0.626 . . . . 73.52 110.384 178.082 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.69 -46.07 83.91 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 122.647 0.379 . . . . 74.21 110.199 174.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 39.8 tp10 -66.38 -36.23 82.34 Favored 'General case' 0 C--O 1.21 -0.999 0 CA-C-N 115.568 -0.742 . . . . 73.52 110.223 175.295 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -61.48 -42.22 98.46 Favored 'General case' 0 N--CA 1.495 1.782 0 C-N-CA 124.574 1.15 . . . . 73.24 111.002 178.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -68.36 -46.01 71.24 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.791 0.836 . . . . 71.44 110.386 176.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 8.4 ttpt -56.87 -40.72 76.69 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-N 115.628 -0.714 . . . . 72.2 110.369 176.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 116' ' ' LEU . . . . . 0.413 ' HA ' ' HG3' ' B' ' 119' ' ' GLN . 83.1 mt -69.05 -34.99 76.08 Favored 'General case' 0 C--N 1.35 0.617 0 CA-C-N 114.906 -1.043 . . . . 65.12 110.63 178.18 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.35 -37.54 87.36 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.333 0.653 . . . . 73.24 110.014 178.685 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -76.08 -44.9 36.71 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.183 0.993 . . . . 75.31 111.199 -176.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 119' ' ' GLN . . . . . 0.444 HE22 ' HB3' ' A' ' 20' ' ' LEU . 5.3 pp0? -69.28 -39.26 78.45 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.16 0.584 . . . . 72.4 111.199 -177.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 1.6 pp -69.52 -39.54 77.46 Favored 'General case' 0 C--N 1.358 0.973 0 N-CA-C 108.823 -0.806 . . . . 72.34 108.823 179.581 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 121' ' ' HIS . . . . . 0.541 ' O ' ' HG2' ' B' ' 125' ' ' MET . 15.1 t-80 -55.55 -48.24 75.07 Favored 'General case' 0 C--N 1.357 0.892 0 O-C-N 124.226 0.954 . . . . 72.34 109.731 176.023 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 122' ' ' ASP . . . . . 0.482 ' O ' ' HG3' ' B' ' 126' ' ' GLU . 22.2 t70 -57.16 -49.69 75.17 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 124.238 0.961 . . . . 71.32 110.343 177.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 123' ' ' THR . . . . . 0.506 HG22 HG22 ' A' ' 23' ' ' THR . 13.9 m -60.92 -36.53 79.54 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.52 0.728 . . . . 54.44 111.356 -179.545 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 124' ' ' ASN . . . . . 0.532 ' ND2' HG21 ' A' ' 23' ' ' THR . 0.9 OUTLIER -72.26 -35.07 68.67 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 122.961 0.504 . . . . 70.11 109.994 -179.54 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 125' ' ' MET . . . . . 0.541 ' HG2' ' O ' ' B' ' 121' ' ' HIS . 92.4 mmm -62.92 -45.58 91.85 Favored 'General case' 0 C--N 1.359 0.998 0 C-N-CA 123.048 0.539 . . . . 74.41 110.573 176.131 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 126' ' ' GLU . . . . . 0.74 ' HB2' HD11 ' A' ' 27' ' ' LEU . 9.6 mt-10 -62.67 -43.86 97.72 Favored 'General case' 0 N--CA 1.483 1.191 0 N-CA-C 108.708 -0.849 . . . . 71.21 108.708 178.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 127' ' ' LEU . . . . . 0.506 HD22 HG23 ' A' ' 23' ' ' THR . 37.3 tp -64.88 -27.48 68.89 Favored 'General case' 0 CA--C 1.556 1.187 0 O-C-N 124.321 1.013 . . . . 64.21 111.557 179.195 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 128' ' ' THR . . . . . . . . . . . . . 99.3 m -73.54 -44.76 56.77 Favored 'General case' 0 N--CA 1.495 1.824 0 C-N-CA 123.24 0.616 . . . . 73.25 110.071 176.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 129' ' ' ASP . . . . . 0.41 ' O ' ' HG3' ' B' ' 133' ' ' GLN . 52.9 m-20 -61.14 -45.24 95.46 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.549 0.739 . . . . 71.15 109.699 175.49 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 130' ' ' LEU . . . . . 0.673 HD21 ' HB3' ' A' ' 30' ' ' LEU . 4.8 tp -63.24 -46.05 88.73 Favored 'General case' 0 C--O 1.215 -0.726 0 C-N-CA 125.735 1.614 . . . . 74.52 110.271 -178.092 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 131' ' ' LYS . . . . . 0.424 ' HE2' ' O ' ' B' ' 143' ' ' ARG . 24.0 tptp -51.61 -46.61 63.65 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 125.41 1.484 . . . . 73.45 111.024 174.654 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 62.9 tp -65.97 -49.68 67.0 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 115.358 -0.837 . . . . 71.34 110.94 178.434 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 133' ' ' GLN . . . . . 0.438 ' HB2' HD11 ' A' ' 34' ' ' LEU . 44.9 mt-30 -68.53 -27.38 66.05 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.492 0.717 . . . . 73.25 111.269 -175.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -72.4 -48.24 42.97 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.116 0.966 . . . . 54.31 108.432 -176.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 135' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -69.48 -22.63 63.61 Favored 'General case' 0 CA--C 1.551 0.993 0 O-C-N 123.4 0.438 . . . . 73.03 111.138 177.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -75.15 -32.92 61.44 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 122.793 0.437 . . . . 63.11 110.523 170.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -72.28 -48.56 41.47 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.18 0.592 . . . . 62.52 110.937 179.329 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 138' ' ' THR . . . . . 0.652 ' HB ' HG23 ' A' ' 38' ' ' THR . 12.4 t -103.48 160.32 14.82 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.396 0.678 . . . . 73.23 111.872 -174.31 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 2.3 pp0? -94.44 -17.24 22.67 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.764 1.226 . . . . 72.51 110.068 169.338 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 140' ' ' ARG . . . . . 0.472 ' HG2' ' HG3' ' A' ' 40' ' ' ARG . 12.6 tpt180 -67.01 165.96 14.64 Favored 'General case' 0 CA--C 1.555 1.152 0 C-N-CA 124.177 0.991 . . . . 72.2 110.106 179.134 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 141' ' ' GLN . . . . . 0.534 HE22 ' H ' ' A' ' 42' ' ' GLU . 3.9 pm0 -45.86 134.62 7.68 Favored 'General case' 0 C--N 1.372 1.574 0 CA-C-O 122.062 0.934 . . . . 71.42 112.697 -165.483 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.27 0.51 56.73 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 114.056 -1.429 . . . . 53.23 110.466 -174.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 143' ' ' ARG . . . . . 0.424 ' O ' ' HE2' ' B' ' 131' ' ' LYS . 99.6 mtt180 -63.07 -69.76 0.25 Allowed 'General case' 0 C--N 1.353 0.746 0 C-N-CA 124.746 1.218 . . . . 74.42 111.791 -178.317 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 144' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.562 1.409 0 C-N-CA 123.236 0.615 . . . . 74.45 109.872 -172.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.485 ' O ' ' HG3' ' A' ' 4' ' ' LYS . 10.2 m-20 . . . . . 0 N--CA 1.491 1.592 0 CA-C-O 121.378 0.608 . . . . 73.44 110.858 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -73.5 -13.51 61.06 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 113.803 1.038 . . . . 74.13 113.803 -169.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.605 ' HD3' ' H ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -71.6 -37.24 70.99 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-O 121.804 0.812 . . . . 73.22 109.025 179.226 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.605 ' H ' ' HD3' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -85.41 -22.62 28.27 Favored 'General case' 0 C--O 1.211 -0.957 0 CA-C-N 114.727 -1.124 . . . . 73.52 109.086 -178.597 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.432 HD21 ' HB2' ' B' ' 106' ' ' TYR . 33.3 tp -54.54 -44.25 72.66 Favored 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 109.594 -0.521 . . . . 70.01 109.594 172.197 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -55.89 -53.36 57.77 Favored 'General case' 0 C--N 1.356 0.849 0 CA-C-N 114.466 -1.243 . . . . 73.34 109.886 171.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 -53.78 -38.2 64.23 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.921 0.888 . . . . 75.31 112.443 -179.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.44 ' HG2' ' O ' ' A' ' 4' ' ' LYS . 12.3 mm-40 -64.98 -69.69 0.28 Allowed 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.469 0.708 . . . . 74.31 111.811 -174.429 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.576 HD11 ' CD2' ' B' ' 106' ' ' TYR . 17.5 mt -59.28 -41.07 82.94 Favored 'Isoleucine or valine' 0 C--N 1.359 0.988 0 O-C-N 123.713 0.633 . . . . 61.31 111.161 -179.789 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -67.47 -31.69 72.02 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.314 0.646 . . . . 73.33 111.138 -176.359 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.17 -45.34 88.84 Favored 'General case' 0 N--CA 1.483 1.191 0 CA-C-N 118.087 0.403 . . . . 74.02 110.137 174.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.475 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 4.6 tp10 -66.42 -41.73 88.81 Favored 'General case' 0 C--O 1.213 -0.866 0 CA-C-N 115.969 -0.559 . . . . 75.41 110.386 176.384 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -64.31 -42.16 96.47 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 125.393 1.477 . . . . 54.11 110.432 -176.274 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.477 ' HA ' ' HE2' ' A' ' 17' ' ' LYS . 2.9 tt0 -61.0 -49.46 77.34 Favored 'General case' 0 C--O 1.24 0.588 0 C-N-CA 124.823 1.249 . . . . 74.03 109.653 175.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.5 ttpt -56.57 -43.36 79.95 Favored 'General case' 0 C--O 1.217 -0.613 0 O-C-N 124.44 1.088 . . . . 72.03 109.959 177.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' ' 12' ' ' GLU . 94.2 mt -65.3 -29.62 70.39 Favored 'General case' 0 C--N 1.357 0.91 0 C-N-CA 124.027 0.931 . . . . 71.12 111.388 -177.289 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.481 ' HA ' HD23 ' A' ' 20' ' ' LEU . 49.0 mtmt -73.96 -35.13 64.48 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 122.808 0.443 . . . . 75.13 111.038 174.437 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.99 -49.3 46.77 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.05 0.54 . . . . 53.03 110.617 -177.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -70.29 -32.7 70.6 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.515 0.726 . . . . 65.51 112.153 -179.393 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.481 HD23 ' HA ' ' A' ' 17' ' ' LYS . 0.6 OUTLIER -66.19 -41.17 90.61 Favored 'General case' 0 N--CA 1.483 1.203 0 N-CA-C 108.748 -0.834 . . . . 74.05 108.748 173.727 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 14.0 t-80 -60.06 -36.41 77.27 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.928 0.891 . . . . 72.1 110.307 -178.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.41 ' HA ' ' HG2' ' A' ' 25' ' ' MET . 70.9 m-20 -71.45 -45.41 62.7 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 123.811 0.695 . . . . 75.42 111.518 175.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.521 HG21 ' ND2' ' B' ' 124' ' ' ASN . 12.0 m -67.86 -29.64 68.82 Favored 'General case' 0 CA--C 1.545 0.759 0 O-C-N 123.38 0.425 . . . . 73.01 111.282 -178.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.562 ' ND2' HG21 ' B' ' 123' ' ' THR . 1.0 OUTLIER -75.26 -45.21 41.42 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.794 0.838 . . . . 73.01 109.638 179.37 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.41 ' HG2' ' HA ' ' A' ' 22' ' ' ASP . 22.5 ptp -69.06 -36.99 78.28 Favored 'General case' 0 C--N 1.356 0.865 0 O-C-N 123.429 0.456 . . . . 52.32 110.265 -175.429 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.523 ' O ' ' HB2' ' A' ' 30' ' ' LEU . 18.4 pt-20 -78.51 -31.03 47.46 Favored 'General case' 0 C--O 1.203 -1.382 0 O-C-N 123.756 0.66 . . . . 74.13 110.13 -178.597 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 48.8 tp -60.47 -48.33 82.24 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.708 0.803 . . . . 74.23 111.259 171.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 35.5 m -65.53 -41.29 93.24 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.377 0.671 . . . . 73.11 110.602 179.123 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -69.63 -33.42 72.61 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.91 0.884 . . . . 72.31 110.748 178.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.612 ' HA ' HE21 ' A' ' 33' ' ' GLN . 11.9 tp -67.39 -43.23 81.85 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.784 0.834 . . . . 75.01 108.771 179.644 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.441 ' HA ' HD11 ' B' ' 130' ' ' LEU . 0.0 OUTLIER -70.4 -31.07 68.14 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.757 1.223 . . . . 71.31 110.084 -179.535 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 46.3 tp -63.85 -59.38 4.6 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 115.266 -0.879 . . . . 75.12 109.856 -179.016 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.612 HE21 ' HA ' ' A' ' 30' ' ' LEU . 3.7 pp0? -75.52 -19.69 59.19 Favored 'General case' 0 CA--C 1.554 1.117 0 CA-C-N 116.201 -0.454 . . . . 74.24 111.879 179.773 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 25.6 tp -51.77 -62.29 1.72 Allowed 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 123.231 0.612 . . . . 54.41 110.199 170.19 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -71.21 -24.52 62.23 Favored 'General case' 0 C--N 1.359 0.996 0 O-C-N 125.466 1.729 . . . . 72.04 111.271 -176.365 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.45 ' HB2' ' HA ' ' A' ' 33' ' ' GLN . 99.3 mttt -71.06 -7.07 43.87 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 122.177 0.191 . . . . 74.03 111.094 168.503 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 82.48 68.12 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.2 1.4 . . . . 64.22 108.038 171.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.631 HG23 HG22 ' B' ' 138' ' ' THR . 9.5 t -36.88 171.19 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.839 0 CA-C-N 112.681 -2.054 . . . . 41.13 116.343 179.414 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.621 ' HA ' HG21 ' B' ' 138' ' ' THR . 0.0 OUTLIER -143.37 -34.75 0.41 Allowed 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 114.422 -1.263 . . . . 71.44 109.164 169.143 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.517 ' HG3' ' HB3' ' B' ' 141' ' ' GLN . 30.9 ttt-85 -159.45 151.07 20.25 Favored 'General case' 0 C--N 1.35 0.601 0 C-N-CA 125.208 1.403 . . . . 71.12 108.51 -178.324 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.418 ' HB3' HD21 ' B' ' 134' ' ' LEU . 17.1 pm0 -119.83 150.91 39.67 Favored 'General case' 0 C--O 1.238 0.466 0 C-N-CA 123.535 0.734 . . . . 73.32 109.098 175.257 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -127.91 90.29 3.07 Favored 'General case' 0 C--O 1.238 0.455 0 N-CA-C 108.077 -1.082 . . . . 74.31 108.077 176.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 50.9 mtp180 -78.7 -51.92 9.13 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 115.267 -0.879 . . . . 74.51 109.467 176.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 68.4 t80 . . . . . 0 C--O 1.239 0.513 0 C-N-CA 124.405 1.082 . . . . 71.44 109.578 176.643 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 101' ' ' ASP . . . . . 0.703 ' N ' ' HZ2' ' B' ' 103' ' ' LYS . 24.0 m-20 . . . . . 0 N--CA 1.468 0.473 0 CA-C-O 120.759 0.314 . . . . 65.21 110.796 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 102' ' ' PHE . . . . . 0.471 ' HD1' HD23 ' B' ' 105' ' ' LEU . 97.8 m-85 -118.54 -1.6 11.16 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.177 0.991 . . . . 73.13 111.731 -177.556 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 103' ' ' LYS . . . . . 0.703 ' HZ2' ' N ' ' B' ' 101' ' ' ASP . 0.0 OUTLIER -61.87 -34.26 75.68 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 108.861 -0.792 . . . . 74.52 108.861 172.884 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 104' ' ' LYS . . . . . 0.449 ' O ' ' HG2' ' B' ' 108' ' ' GLN . 0.0 OUTLIER -59.32 -42.63 91.87 Favored 'General case' 0 C--N 1.359 0.985 0 CA-C-N 114.808 -1.087 . . . . 72.42 111.209 172.859 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . 0.471 HD23 ' HD1' ' B' ' 102' ' ' PHE . 0.4 OUTLIER -61.99 -41.61 98.23 Favored 'General case' 0 C--N 1.381 1.94 0 N-CA-C 108.728 -0.842 . . . . 73.52 108.728 -176.256 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 106' ' ' TYR . . . . . 0.576 ' CD2' HD11 ' A' ' 9' ' ' ILE . 49.6 t80 -55.12 -49.88 70.64 Favored 'General case' 0 C--N 1.366 1.293 0 O-C-N 124.77 1.293 . . . . 74.44 108.986 177.334 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -63.91 -41.02 97.78 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 113.096 0.776 . . . . 75.42 113.096 -178.41 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 108' ' ' GLN . . . . . 0.449 ' HG2' ' O ' ' B' ' 104' ' ' LYS . 12.9 mm-40 -64.77 -58.23 6.81 Favored 'General case' 0 N--CA 1.483 1.194 0 O-C-N 123.404 0.44 . . . . 75.44 110.607 -174.506 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 15.7 mt -67.63 -38.62 80.75 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.974 0 CA-C-N 115.469 -0.787 . . . . 52.53 110.811 -176.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 110' ' ' LEU . . . . . 0.401 ' HB2' HD13 ' A' ' 9' ' ' ILE . 1.5 tm? -68.87 -33.17 73.35 Favored 'General case' 0 N--CA 1.492 1.633 0 C-N-CA 123.481 0.712 . . . . 71.31 110.747 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.13 -41.75 97.1 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-O 120.973 0.416 . . . . 64.03 109.919 175.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 112' ' ' GLU . . . . . 0.437 ' O ' ' HG ' ' B' ' 116' ' ' LEU . 8.8 tp10 -70.83 -37.91 73.2 Favored 'General case' 0 C--O 1.214 -0.807 0 CA-C-N 115.253 -0.885 . . . . 62.42 110.833 175.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -64.19 -43.58 94.62 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 124.825 1.25 . . . . 73.31 110.177 -177.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -54.28 -54.97 33.01 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.529 1.531 . . . . 73.43 109.955 172.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 20.4 ttpt -57.85 -39.31 77.4 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 114.257 -1.338 . . . . 61.21 110.339 -179.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 116' ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' B' ' 112' ' ' GLU . 69.9 mt -68.04 -30.59 69.85 Favored 'General case' 0 C--N 1.355 0.829 0 O-C-N 123.961 0.788 . . . . 71.14 111.636 -177.378 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -72.67 -37.37 67.93 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 120.787 0.327 . . . . 72.15 110.701 175.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -74.3 -39.98 62.55 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 116.033 -0.531 . . . . 43.12 111.314 -177.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 119' ' ' GLN . . . . . 0.423 ' HG3' ' HA ' ' B' ' 116' ' ' LEU . 5.2 pp0? -74.38 -35.58 63.52 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.231 0.612 . . . . 62.23 110.928 -177.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 1.4 pp -67.42 -42.22 83.56 Favored 'General case' 0 C--N 1.362 1.135 0 N-CA-C 109.387 -0.597 . . . . 75.55 109.387 178.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -58.92 -47.73 83.98 Favored 'General case' 0 C--N 1.36 1.039 0 O-C-N 123.671 0.607 . . . . 74.1 109.523 175.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 122' ' ' ASP . . . . . 0.44 ' O ' ' HG2' ' B' ' 126' ' ' GLU . 26.1 t70 -58.13 -42.01 84.91 Favored 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 125.115 1.366 . . . . 74.02 111.869 178.762 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 123' ' ' THR . . . . . 0.562 HG21 ' ND2' ' A' ' 24' ' ' ASN . 81.7 m -73.43 -33.75 65.09 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.824 0.85 . . . . 74.22 110.791 -179.576 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 124' ' ' ASN . . . . . 0.521 ' ND2' HG21 ' A' ' 23' ' ' THR . 9.2 m-80 -73.54 -25.43 60.4 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.491 0.716 . . . . 65.12 110.427 175.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 125' ' ' MET . . . . . . . . . . . . . 7.8 mmt -70.7 -43.1 69.7 Favored 'General case' 0 C--N 1.352 0.677 0 C-N-CA 122.962 0.505 . . . . 64.04 109.881 170.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 126' ' ' GLU . . . . . 0.44 ' HG2' ' O ' ' B' ' 122' ' ' ASP . 50.6 mm-40 -59.43 -39.72 84.42 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.029 0.532 . . . . 72.43 110.288 173.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 127' ' ' LEU . . . . . 0.506 HD22 HG23 ' A' ' 23' ' ' THR . 40.7 tp -68.12 -41.39 81.79 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 124.658 1.183 . . . . 61.4 111.038 -178.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 128' ' ' THR . . . . . . . . . . . . . 90.5 m -66.63 -40.72 88.88 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.735 0.814 . . . . 64.52 110.184 176.272 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 129' ' ' ASP . . . . . 0.453 ' O ' ' HB3' ' B' ' 132' ' ' LEU . 15.0 t70 -65.98 -38.41 88.45 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 114.421 -1.263 . . . . 74.13 109.71 178.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 130' ' ' LEU . . . . . 0.556 ' HB3' HD23 ' A' ' 30' ' ' LEU . 0.4 OUTLIER -71.63 -47.12 56.6 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.38 0.672 . . . . 63.23 109.754 -176.214 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 131' ' ' LYS . . . . . 0.421 ' HA ' ' HB2' ' B' ' 134' ' ' LEU . 0.2 OUTLIER -67.64 -19.0 65.15 Favored 'General case' 0 C--N 1.357 0.925 0 O-C-N 123.431 0.457 . . . . 73.31 110.187 179.933 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 132' ' ' LEU . . . . . 0.453 ' HB3' ' O ' ' B' ' 129' ' ' ASP . 40.9 tp -68.02 -48.11 66.6 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.226 0.611 . . . . 73.15 110.695 169.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 133' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -64.33 -27.77 69.25 Favored 'General case' 0 N--CA 1.488 1.46 0 CA-C-N 118.308 0.504 . . . . 60.25 110.886 172.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 134' ' ' LEU . . . . . 0.509 ' HG ' HG21 ' A' ' 38' ' ' THR . 7.5 tp -66.86 -47.96 70.3 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.974 0.91 . . . . 64.03 110.196 -177.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 135' ' ' GLU . . . . . 0.537 ' HB3' ' HD3' ' B' ' 140' ' ' ARG . 10.7 pt-20 -72.03 -23.83 61.45 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 115.261 -0.881 . . . . 70.15 110.793 178.561 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -75.71 -33.94 60.36 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 122.751 0.42 . . . . 64.15 111.264 171.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -65.46 -34.58 78.61 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.184 0.594 . . . . 63.41 111.012 -178.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 138' ' ' THR . . . . . 0.631 HG22 HG23 ' A' ' 38' ' ' THR . 8.8 t -145.48 -65.65 0.32 Allowed 'General case' 0 CA--C 1.559 1.296 0 O-C-N 123.571 0.544 . . . . 75.43 110.936 171.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 139' ' ' GLN . . . . . 0.486 ' O ' ' HG2' ' B' ' 140' ' ' ARG . 0.7 OUTLIER 170.94 -18.64 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 125.508 1.523 . . . . 74.41 110.324 -174.484 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 140' ' ' ARG . . . . . 0.55 ' H ' HG23 ' B' ' 138' ' ' THR . 12.3 ptt-85 66.63 -176.88 0.19 Allowed 'General case' 0 N--CA 1.493 1.695 0 C-N-CA 126.226 1.81 . . . . 75.31 109.741 -175.043 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 141' ' ' GLN . . . . . 0.517 ' HB3' ' HG3' ' A' ' 40' ' ' ARG . 21.2 pt20 -58.09 -16.57 13.54 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 114.16 1.17 . . . . 73.0 114.16 178.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 57.7 16.42 3.47 Favored 'General case' 0 N--CA 1.5 2.067 0 C-N-CA 126.677 1.991 . . . . 72.13 113.378 170.314 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 80.7 mtp180 -69.4 -41.16 76.8 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.012 0.925 . . . . 72.54 110.134 177.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 144' ' ' PHE . . . . . . . . . . . . . 73.5 t80 . . . . . 0 C--O 1.251 1.18 0 C-N-CA 124.12 0.968 . . . . 72.44 108.449 176.641 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.573 ' O ' ' HG3' ' A' ' 4' ' ' LYS . 6.8 m-20 . . . . . 0 N--CA 1.492 1.67 0 N-CA-C 112.025 0.38 . . . . 73.15 112.025 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 40.8 m-85 -69.17 -11.55 60.9 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 113.054 0.761 . . . . 74.33 113.054 179.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.08 -45.86 72.64 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 109.496 -0.557 . . . . 71.25 109.496 174.279 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.573 ' HG3' ' O ' ' A' ' 1' ' ' ASP . 0.0 OUTLIER -74.15 -31.3 62.66 Favored 'General case' 0 C--O 1.204 -1.299 0 CA-C-O 119.14 -0.457 . . . . 74.03 109.793 -176.749 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 17.8 tp -52.32 -50.89 61.36 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-O 121.654 0.74 . . . . 72.3 110.392 174.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -59.57 -44.41 93.31 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 113.546 -1.661 . . . . 61.34 110.383 175.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -65.96 -36.2 82.68 Favored 'General case' 0 C--O 1.214 -0.771 0 C-N-CA 123.856 0.862 . . . . 64.42 112.795 -177.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.472 ' HG2' ' O ' ' A' ' 4' ' ' LYS . 8.7 mm-40 -65.62 -62.05 1.74 Allowed 'General case' 0 N--CA 1.487 1.401 0 CA-C-N 118.198 0.454 . . . . 72.23 110.664 -174.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.537 HD13 ' HB2' ' B' ' 110' ' ' LEU . 19.1 mt -65.23 -40.04 87.4 Favored 'Isoleucine or valine' 0 C--N 1.354 0.79 0 O-C-N 123.693 0.62 . . . . 72.33 111.504 -178.368 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 19.0 tp -73.19 -28.35 62.14 Favored 'General case' 0 N--CA 1.484 1.263 0 N-CA-C 112.26 0.467 . . . . 74.54 112.26 -176.495 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.43 -42.38 92.52 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 109.297 -0.631 . . . . 74.22 109.297 172.633 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.479 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 4.6 tp10 -67.69 -39.92 84.39 Favored 'General case' 0 C--O 1.211 -0.963 0 CA-C-N 115.265 -0.879 . . . . 63.23 109.785 176.745 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -62.27 -44.61 96.13 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 125.21 1.404 . . . . 74.14 110.546 -177.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -58.21 -50.23 74.29 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.37 1.068 . . . . 65.32 110.156 174.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.2 ttpt -59.82 -42.57 93.82 Favored 'General case' 0 C--O 1.217 -0.619 0 CA-C-N 114.992 -1.004 . . . . 63.33 110.455 -179.559 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 12' ' ' GLU . 87.5 mt -65.64 -33.36 75.7 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.837 0.855 . . . . 71.32 110.532 -179.428 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.436 ' HA ' HD23 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -70.32 -33.22 71.26 Favored 'General case' 0 CA--C 1.55 0.942 0 C-N-CA 123.925 0.89 . . . . 74.34 110.141 176.325 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.48 -48.51 16.92 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.403 0.681 . . . . 72.01 111.097 -176.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.44 -32.91 72.16 Favored 'General case' 0 C--N 1.346 0.421 0 C-N-CA 123.414 0.685 . . . . 71.02 111.475 -178.612 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' A' ' 17' ' ' LYS . 0.7 OUTLIER -66.93 -44.99 79.23 Favored 'General case' 0 C--O 1.21 -0.979 0 N-CA-C 108.416 -0.957 . . . . 71.3 108.416 175.051 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 40.4 t-80 -53.85 -45.15 70.84 Favored 'General case' 0 C--N 1.359 0.996 0 O-C-N 124.246 0.966 . . . . 75.33 109.648 -179.191 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -63.66 -49.11 74.48 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 114.841 -1.072 . . . . 73.42 111.603 178.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.52 HG21 ' ND2' ' B' ' 124' ' ' ASN . 7.8 m -67.21 -30.21 70.08 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 122.883 0.473 . . . . 73.52 111.104 -178.264 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.539 ' ND2' HG21 ' B' ' 123' ' ' THR . 1.0 OUTLIER -75.18 -46.28 35.16 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.921 0.888 . . . . 64.31 109.714 -178.606 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 10.7 mmt -62.76 -48.55 78.67 Favored 'General case' 0 C--N 1.35 0.601 0 O-C-N 123.965 0.79 . . . . 61.31 110.884 179.456 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.514 ' O ' ' HB2' ' A' ' 30' ' ' LEU . 12.0 pt-20 -65.73 -35.84 81.88 Favored 'General case' 0 C--O 1.205 -1.265 0 CA-C-O 118.888 -0.577 . . . . 74.03 110.6 -179.034 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.659 HD11 ' HB2' ' B' ' 126' ' ' GLU . 7.1 tt -58.47 -42.63 87.94 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.867 0.867 . . . . 64.04 110.444 174.423 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.444 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 68.7 m -69.78 -43.87 71.28 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 123.572 0.749 . . . . 70.24 111.147 -177.679 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.52 -36.56 84.2 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 115.67 -0.695 . . . . 75.11 110.274 175.403 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.514 ' HB2' ' O ' ' A' ' 26' ' ' GLU . 9.4 tp -73.57 -39.85 64.36 Favored 'General case' 0 C--N 1.349 0.559 0 C-N-CA 123.576 0.75 . . . . 52.33 110.029 -175.254 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.444 ' HG3' ' O ' ' A' ' 28' ' ' THR . 0.1 OUTLIER -69.79 -33.38 72.3 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 109.133 -0.692 . . . . 72.15 109.133 -179.882 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 39.5 tp -64.88 -52.73 54.97 Favored 'General case' 0 C--N 1.35 0.593 0 CA-C-N 115.373 -0.83 . . . . 73.45 110.684 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.467 ' OE1' ' HB3' ' A' ' 41' ' ' GLN . 0.7 OUTLIER -70.18 -30.79 68.0 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-O 119.846 -0.121 . . . . 51.53 111.313 178.579 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.528 HD13 HD23 ' B' ' 134' ' ' LEU . 17.3 tp -50.25 -62.04 1.81 Allowed 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.174 0.59 . . . . 50.52 110.234 176.215 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -68.53 -29.69 68.33 Favored 'General case' 0 C--N 1.358 0.939 0 O-C-N 126.631 2.457 . . . . 62.2 111.334 -174.352 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -61.25 -18.75 59.93 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.132 0.573 . . . . 75.15 110.728 168.539 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 82.03 63.28 0.02 OUTLIER 'General case' 0 CA--C 1.505 -0.752 0 N-CA-C 106.716 -1.587 . . . . 73.03 106.716 177.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.448 HG21 HD22 ' B' ' 134' ' ' LEU . 15.1 t -57.07 168.4 0.69 Allowed 'General case' 0 N--CA 1.481 1.092 0 CA-C-N 112.356 -2.202 . . . . 53.1 113.877 -172.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.404 ' O ' ' HA ' ' B' ' 140' ' ' ARG . 0.1 OUTLIER -122.27 -46.32 2.18 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 114.4 -1.273 . . . . 70.35 108.745 167.54 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.547 ' HG3' HE21 ' B' ' 141' ' ' GLN . 46.0 ttt-85 -166.28 132.31 2.44 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.624 0.77 . . . . 65.5 110.426 -177.434 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.467 ' HB3' ' OE1' ' A' ' 33' ' ' GLN . 0.0 OUTLIER -104.91 -38.93 6.45 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 123.727 0.811 . . . . 74.25 109.372 175.197 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.488 ' H ' ' NE2' ' B' ' 141' ' ' GLN . 8.0 tp10 67.48 117.11 0.03 OUTLIER 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 126.678 1.991 . . . . 65.22 112.351 -175.535 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 69.1 mtm180 -112.25 -37.01 5.14 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.174 0.99 . . . . 72.14 110.153 -176.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 65.5 t80 . . . . . 0 N--CA 1.48 1.05 0 C-N-CA 123.707 0.803 . . . . 75.21 109.902 177.224 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 101' ' ' ASP . . . . . 0.661 ' N ' ' HZ2' ' B' ' 103' ' ' LYS . 11.1 m-20 . . . . . 0 CA--C 1.537 0.471 0 CA-C-O 120.953 0.406 . . . . 64.43 110.419 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 102' ' ' PHE . . . . . 0.483 ' O ' ' HG ' ' B' ' 105' ' ' LEU . 98.0 m-85 -115.83 -21.51 9.55 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.078 0.951 . . . . 72.52 111.398 -179.073 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 103' ' ' LYS . . . . . 0.661 ' HZ2' ' N ' ' B' ' 101' ' ' ASP . 0.0 OUTLIER -60.82 -32.76 72.11 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 108.955 -0.757 . . . . 71.0 108.955 174.504 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 104' ' ' LYS . . . . . 0.469 ' O ' ' HG2' ' B' ' 108' ' ' GLN . 0.0 OUTLIER -68.43 -35.87 78.23 Favored 'General case' 0 C--N 1.355 0.831 0 CA-C-N 114.634 -1.166 . . . . 71.01 111.319 177.147 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' B' ' 102' ' ' PHE . 0.8 OUTLIER -61.2 -43.02 99.54 Favored 'General case' 0 C--N 1.376 1.759 0 N-CA-C 108.298 -1.001 . . . . 74.45 108.298 179.229 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 106' ' ' TYR . . . . . 0.477 ' CD1' HD11 ' A' ' 9' ' ' ILE . 35.6 t80 -56.04 -45.78 79.09 Favored 'General case' 0 C--N 1.362 1.135 0 O-C-N 124.657 1.223 . . . . 72.44 109.552 177.219 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -65.78 -45.89 80.78 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.528 0.731 . . . . 42.34 112.585 -179.559 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 108' ' ' GLN . . . . . 0.469 ' HG2' ' O ' ' B' ' 104' ' ' LYS . 13.6 mm-40 -65.97 -52.16 52.1 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 122.701 0.4 . . . . 75.4 111.047 -171.813 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . 0.417 HG22 HG22 ' A' ' 9' ' ' ILE . 20.6 mt -69.49 -38.9 77.87 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 O-C-N 123.827 0.705 . . . . 73.32 110.319 -177.308 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 110' ' ' LEU . . . . . 0.537 ' HB2' HD13 ' A' ' 9' ' ' ILE . 22.4 tp -70.57 -32.76 70.29 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 122.608 0.363 . . . . 65.32 111.637 -178.447 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.66 -44.2 91.15 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 109.942 -0.392 . . . . 70.14 109.942 175.093 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 112' ' ' GLU . . . . . 0.482 ' O ' ' HG ' ' B' ' 116' ' ' LEU . 9.0 tp10 -65.13 -38.0 89.23 Favored 'General case' 0 C--O 1.211 -0.931 0 CA-C-N 115.224 -0.898 . . . . 55.31 110.17 173.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -65.84 -39.14 90.5 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 124.821 1.249 . . . . 70.13 110.754 -176.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.65 -35.03 67.67 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.854 0.862 . . . . 73.34 109.346 178.466 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 6.0 ttpt -65.77 -41.34 92.18 Favored 'General case' 0 C--N 1.35 0.614 0 CA-C-N 115.291 -0.868 . . . . 71.12 108.932 177.33 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 116' ' ' LEU . . . . . 0.482 ' HG ' ' O ' ' B' ' 112' ' ' GLU . 96.7 mt -66.49 -33.63 76.12 Favored 'General case' 0 C--N 1.352 0.698 0 O-C-N 124.374 1.046 . . . . 73.41 110.316 177.184 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.59 -42.62 91.49 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 123.77 0.828 . . . . 64.55 109.656 178.575 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -74.28 -46.13 43.26 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 114.873 -1.058 . . . . 65.22 111.069 -174.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 119' ' ' GLN . . . . . 0.413 HE22 ' CB ' ' A' ' 20' ' ' LEU . 5.4 pp0? -67.17 -37.03 83.04 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 115.983 -0.553 . . . . 62.21 111.07 -177.269 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 2.9 pp -68.14 -40.07 82.53 Favored 'General case' 0 C--N 1.365 1.27 0 N-CA-C 109.867 -0.42 . . . . 64.44 109.867 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 50.7 t-80 -57.45 -44.8 85.05 Favored 'General case' 0 C--N 1.354 0.769 0 O-C-N 124.113 0.883 . . . . 64.3 109.601 174.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 122' ' ' ASP . . . . . 0.4 ' O ' ' HG3' ' B' ' 126' ' ' GLU . 16.9 t70 -68.65 -36.0 77.99 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 114.95 -1.023 . . . . 75.22 111.063 -179.269 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 123' ' ' THR . . . . . 0.539 HG21 ' ND2' ' A' ' 24' ' ' ASN . 33.4 m -69.99 -37.47 75.73 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.21 0.604 . . . . 62.21 109.846 179.733 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 124' ' ' ASN . . . . . 0.52 ' ND2' HG21 ' A' ' 23' ' ' THR . 1.2 m-80 -68.82 -31.12 69.87 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 115.633 -0.712 . . . . 65.51 110.078 176.396 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 125' ' ' MET . . . . . . . . . . . . . 1.7 mmt -66.22 -41.08 90.61 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 122.901 0.481 . . . . 62.2 111.263 175.118 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 126' ' ' GLU . . . . . 0.659 ' HB2' HD11 ' A' ' 27' ' ' LEU . 10.9 mt-10 -71.39 -33.29 69.37 Favored 'General case' 0 N--CA 1.476 0.87 0 O-C-N 123.342 0.401 . . . . 75.11 109.994 177.081 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 127' ' ' LEU . . . . . 0.46 HD22 HG23 ' A' ' 23' ' ' THR . 53.6 tp -69.48 -35.38 75.53 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.832 0.853 . . . . 72.03 110.619 178.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 128' ' ' THR . . . . . . . . . . . . . 87.1 m -74.71 -36.23 62.71 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.649 0.78 . . . . 73.43 110.064 176.611 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -66.13 -39.57 89.97 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 114.563 -1.199 . . . . 72.23 110.022 175.269 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 130' ' ' LEU . . . . . 0.424 ' HB2' ' O ' ' B' ' 126' ' ' GLU . 0.2 OUTLIER -68.23 -46.71 69.79 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.932 0.893 . . . . 71.15 108.957 -179.507 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 25.8 tptp -56.53 -36.3 69.06 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.437 1.495 . . . . 74.35 111.014 174.526 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 35.5 tp -70.08 -43.04 71.96 Favored 'General case' 0 CA--C 1.543 0.705 0 O-C-N 123.532 0.52 . . . . 70.54 109.988 176.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 133' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -64.2 -28.73 69.95 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 115.97 -0.559 . . . . 53.05 110.738 177.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 134' ' ' LEU . . . . . 0.528 HD23 HD13 ' A' ' 34' ' ' LEU . 32.8 mt -70.19 -51.54 30.24 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 122.991 0.517 . . . . 73.21 110.83 176.778 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 135' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -69.51 -7.49 38.64 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 122.607 0.363 . . . . 71.41 111.526 -178.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -88.45 -49.74 6.74 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 123.37 0.668 . . . . 74.44 110.74 163.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -72.41 -20.41 61.43 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 123.948 0.899 . . . . 35.52 113.115 -171.447 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 138' ' ' THR . . . . . 0.445 HG21 HG23 ' A' ' 38' ' ' THR . 12.8 t -160.88 173.28 15.55 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.134 0.574 . . . . 63.55 111.182 -172.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -79.83 -21.11 44.59 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 114.944 -1.026 . . . . 75.0 111.097 177.009 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 140' ' ' ARG . . . . . 0.404 ' HA ' ' O ' ' A' ' 39' ' ' GLN . 0.2 OUTLIER 46.01 -176.33 0.01 OUTLIER 'General case' 0 N--CA 1.504 2.238 0 C-N-CA 126.866 2.066 . . . . 74.15 113.882 -176.651 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 141' ' ' GLN . . . . . 0.547 HE21 ' HG3' ' A' ' 40' ' ' ARG . 0.2 OUTLIER -96.37 -43.75 7.52 Favored 'General case' 0 N--CA 1.484 1.252 0 N-CA-C 109.627 -0.508 . . . . 74.43 109.627 175.187 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 42.36 79.03 0.04 OUTLIER 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.824 1.649 . . . . 55.3 112.615 -171.286 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 21.8 mmt180 -79.27 -57.37 3.75 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 108.29 -1.004 . . . . 61.45 108.29 171.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 144' ' ' PHE . . . . . . . . . . . . . 41.8 t80 . . . . . 0 C--O 1.249 1.03 0 N-CA-C 107.911 -1.144 . . . . 70.23 107.911 175.64 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.554 ' O ' ' HG3' ' A' ' 4' ' ' LYS . 3.1 p30 . . . . . 0 N--CA 1.483 1.179 0 CA-C-O 119.142 -0.456 . . . . 64.23 110.857 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -55.06 -19.57 7.52 Favored 'General case' 0 CA--C 1.548 0.901 0 N-CA-C 114.591 1.33 . . . . 73.4 114.591 -172.098 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.24 -42.41 79.74 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 118.11 0.414 . . . . 73.4 110.229 177.049 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.554 ' HG3' ' O ' ' A' ' 1' ' ' ASP . 0.0 OUTLIER -73.86 -31.84 63.35 Favored 'General case' 0 C--N 1.361 1.083 0 N-CA-C 108.982 -0.747 . . . . 72.32 108.982 179.568 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 36.8 tp -53.43 -47.08 69.95 Favored 'General case' 0 C--N 1.366 1.291 0 O-C-N 124.031 0.832 . . . . 72.32 110.389 176.382 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.471 ' HA ' HD13 ' B' ' 105' ' ' LEU . 36.1 t80 -53.84 -45.92 71.06 Favored 'General case' 0 C--N 1.356 0.857 0 O-C-N 124.521 1.138 . . . . 73.14 110.6 176.133 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -70.5 -36.56 73.87 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 115.247 -0.888 . . . . 63.21 113.317 -178.385 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.459 ' HG2' ' O ' ' A' ' 4' ' ' LYS . 11.4 mm-40 -67.33 -59.13 3.66 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 122.86 0.464 . . . . 64.4 111.362 -174.545 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.434 HD11 ' CD2' ' B' ' 106' ' ' TYR . 3.8 mt -55.21 -47.23 77.8 Favored 'Isoleucine or valine' 0 C--N 1.354 0.797 0 O-C-N 123.981 0.8 . . . . 75.33 110.78 177.146 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 19.1 tp -70.06 -29.05 65.96 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.006 0.922 . . . . 65.44 112.47 -173.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.15 -46.03 78.89 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 109.34 -0.615 . . . . 73.51 109.34 172.232 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.445 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 42.8 mm-40 -67.16 -28.48 68.15 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.351 0.661 . . . . 75.43 111.621 174.485 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.504 HD21 ' HB3' ' B' ' 112' ' ' GLU . 15.4 t-20 -72.29 -48.23 43.94 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.391 0.677 . . . . 64.23 109.542 -177.232 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -65.47 -33.34 75.71 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-N 115.551 -0.75 . . . . 73.3 109.288 177.082 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.2 ttpt -66.81 -43.94 82.48 Favored 'General case' 0 C--N 1.356 0.872 0 CA-C-N 115.074 -0.966 . . . . 74.54 109.171 -178.449 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 12' ' ' GLU . 91.9 mt -68.53 -26.97 65.69 Favored 'General case' 0 C--N 1.358 0.937 0 C-N-CA 123.662 0.785 . . . . 75.24 111.093 179.353 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.449 ' HA ' HD23 ' A' ' 20' ' ' LEU . 55.0 mtmt -77.58 -27.01 51.25 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 122.726 0.411 . . . . 63.44 111.356 173.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.48 ' O ' ' HB3' ' A' ' 21' ' ' HIS . . . -74.53 -55.03 6.38 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 123.005 0.522 . . . . 64.31 109.679 178.261 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -64.91 -31.42 72.65 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 123.094 0.558 . . . . 74.12 112.384 -179.768 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.449 HD23 ' HA ' ' A' ' 17' ' ' LYS . 0.7 OUTLIER -65.33 -45.36 84.54 Favored 'General case' 0 C--N 1.367 1.339 0 N-CA-C 109.319 -0.623 . . . . 75.2 109.319 173.13 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.48 ' HB3' ' O ' ' A' ' 18' ' ' ALA . 2.7 t-80 -47.71 -47.07 30.1 Favored 'General case' 0 N--CA 1.491 1.586 0 C-N-CA 124.132 0.973 . . . . 73.33 110.905 177.173 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -66.19 -49.6 66.77 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 115.16 -0.927 . . . . 72.13 111.398 178.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.615 HG22 HG22 ' B' ' 123' ' ' THR . 7.2 m -66.36 -25.82 66.98 Favored 'General case' 0 N--CA 1.481 1.079 0 O-C-N 123.49 0.494 . . . . 73.4 111.493 -177.715 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.562 ' ND2' HG21 ' B' ' 123' ' ' THR . 0.9 OUTLIER -77.71 -48.41 16.76 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.144 0.978 . . . . 44.51 110.557 -179.285 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 27.6 ptm -66.99 -37.12 83.63 Favored 'General case' 0 N--CA 1.476 0.833 0 O-C-N 123.388 0.43 . . . . 75.31 110.514 -178.113 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.503 ' HB2' ' HB3' ' A' ' 43' ' ' ARG . 13.0 pt-20 -79.49 -25.81 41.74 Favored 'General case' 0 C--O 1.212 -0.874 0 CA-C-N 116.179 -0.464 . . . . 61.35 110.396 -179.541 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.2 tt -61.94 -46.62 88.52 Favored 'General case' 0 C--N 1.356 0.876 0 N-CA-C 108.599 -0.889 . . . . 62.24 108.599 170.361 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 25.3 m -64.99 -33.41 75.99 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 123.912 0.885 . . . . 74.15 110.702 -177.015 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.466 ' O ' ' HG3' ' A' ' 33' ' ' GLN . 1.2 m-20 -70.31 -52.56 21.84 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.988 0.915 . . . . 74.43 111.19 175.754 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.637 ' O ' ' HB2' ' A' ' 34' ' ' LEU . 3.6 mm? -52.0 -49.39 63.41 Favored 'General case' 0 C--O 1.199 -1.557 0 O-C-N 124.588 1.18 . . . . 73.23 110.264 177.291 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 45.7 tptt -53.13 -54.6 33.38 Favored 'General case' 0 C--O 1.255 1.377 0 C-N-CA 125.869 1.668 . . . . 72.03 112.195 175.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.1 tt -56.81 -61.45 2.42 Favored 'General case' 0 C--O 1.246 0.916 0 CA-C-N 114.454 -1.248 . . . . 64.41 111.58 -173.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.51 HE22 HD21 ' B' ' 134' ' ' LEU . 1.0 OUTLIER -72.13 -24.16 61.42 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 116.063 -0.517 . . . . 55.43 111.687 -176.667 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.656 ' HG ' HD22 ' B' ' 134' ' ' LEU . 2.4 tt -49.3 -65.43 0.57 Allowed 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 108.225 -1.028 . . . . 74.25 108.225 177.326 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -72.43 -21.64 61.22 Favored 'General case' 0 C--N 1.359 1.01 0 O-C-N 126.59 2.431 . . . . 73.52 112.608 -174.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -63.79 -13.41 43.99 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-O 120.833 0.349 . . . . 73.43 110.858 164.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 81.35 59.78 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 126.065 1.746 . . . . 73.44 108.697 169.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 73.0 p -111.0 -165.21 0.97 Allowed 'General case' 0 N--CA 1.491 1.589 0 CA-C-N 113.91 -1.495 . . . . 61.1 110.879 -175.597 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -142.74 -52.57 0.39 Allowed 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.218 1.007 . . . . 72.22 110.893 176.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.615 ' HA ' HE21 ' B' ' 141' ' ' GLN . 17.2 ttp180 -88.02 142.69 27.58 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.481 0.712 . . . . 72.11 111.081 -178.24 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.39 163.76 31.93 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-O 121.535 0.683 . . . . 44.51 110.618 174.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -96.23 -17.92 20.42 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.765 1.226 . . . . 54.43 110.058 175.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.509 ' NH1' HH12 ' B' ' 143' ' ' ARG . 0.0 OUTLIER 60.17 -81.12 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.107 0 C-N-CA 125.356 1.463 . . . . 74.11 110.778 -172.442 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 45.0 t80 . . . . . 0 N--CA 1.468 0.448 0 C-N-CA 123.342 0.657 . . . . 73.42 109.737 177.447 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 101' ' ' ASP . . . . . 0.4 ' N ' ' HD2' ' B' ' 103' ' ' LYS . 5.1 m-20 . . . . . 0 N--CA 1.466 0.329 0 CA-C-O 121.58 0.705 . . . . 65.12 109.554 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 102' ' ' PHE . . . . . 0.431 ' O ' ' HG ' ' B' ' 105' ' ' LEU . 96.7 m-85 -103.19 -10.15 19.03 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 114.447 -1.251 . . . . 74.45 110.882 178.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 103' ' ' LYS . . . . . 0.489 ' HD3' ' N ' ' B' ' 104' ' ' LYS . 0.0 OUTLIER -60.0 -31.32 69.81 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-O 121.817 0.818 . . . . 72.15 109.557 177.567 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 104' ' ' LYS . . . . . 0.497 ' O ' ' HG2' ' B' ' 108' ' ' GLN . 0.0 OUTLIER -74.93 -33.43 61.97 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-N 114.174 -1.375 . . . . 65.14 110.835 -179.884 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . 0.471 HD13 ' HA ' ' A' ' 6' ' ' TYR . 0.5 OUTLIER -60.04 -41.4 92.2 Favored 'General case' 0 C--N 1.375 1.704 0 N-CA-C 108.022 -1.103 . . . . 65.14 108.022 177.674 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 106' ' ' TYR . . . . . 0.434 ' CD2' HD11 ' A' ' 9' ' ' ILE . 44.1 t80 -59.16 -51.74 68.71 Favored 'General case' 0 C--N 1.368 1.392 0 O-C-N 124.572 1.17 . . . . 70.24 109.417 177.605 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -59.68 -40.99 89.68 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 113.079 0.77 . . . . 73.21 113.079 -177.091 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 108' ' ' GLN . . . . . 0.497 ' HG2' ' O ' ' B' ' 104' ' ' LYS . 13.8 mm-40 -67.68 -58.97 3.74 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 122.885 0.474 . . . . 72.41 111.225 -176.292 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 19.6 mt -69.55 -36.16 69.76 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.917 0 CA-C-N 115.632 -0.713 . . . . 64.43 110.746 -173.247 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -71.2 -34.26 70.7 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 123.659 0.784 . . . . 75.41 110.344 179.145 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -61.1 -44.36 97.48 Favored 'General case' 0 N--CA 1.486 1.355 0 CA-C-O 120.984 0.421 . . . . 64.31 110.258 174.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 112' ' ' GLU . . . . . 0.504 ' HB3' HD21 ' A' ' 13' ' ' ASN . 4.5 tp10 -66.76 -41.48 87.69 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 115.277 -0.874 . . . . 74.4 110.126 176.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -60.56 -40.08 90.31 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 124.766 1.227 . . . . 75.3 110.842 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -59.61 -52.75 64.2 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.535 1.134 . . . . 73.13 110.072 174.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 14.1 ttpt -56.17 -39.13 71.88 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 114.64 -1.163 . . . . 74.33 110.196 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 116' ' ' LEU . . . . . 0.437 ' HB3' ' HB3' ' A' ' 16' ' ' LEU . 90.5 mt -67.16 -34.43 77.54 Favored 'General case' 0 C--N 1.349 0.577 0 C-N-CA 124.214 1.006 . . . . 73.01 111.9 -179.787 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 49.4 mtmt -72.64 -33.93 66.94 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-O 120.748 0.309 . . . . 75.52 110.948 176.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -73.01 -47.89 41.06 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 115.66 -0.7 . . . . 54.02 110.921 -178.13 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 119' ' ' GLN . . . . . 0.412 HE22 ' HB3' ' A' ' 20' ' ' LEU . 5.1 pp0? -66.71 -38.43 86.69 Favored 'General case' 0 C--N 1.345 0.382 0 CA-C-N 115.809 -0.632 . . . . 73.41 110.966 -179.183 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 1.7 pp -66.43 -40.65 89.63 Favored 'General case' 0 C--N 1.368 1.395 0 N-CA-C 109.287 -0.635 . . . . 70.14 109.287 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 12.2 t-80 -53.29 -47.79 68.89 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.954 0.901 . . . . 72.42 110.588 176.288 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 122' ' ' ASP . . . . . 0.444 ' O ' ' HG2' ' B' ' 126' ' ' GLU . 1.2 m-20 -63.33 -52.71 60.72 Favored 'General case' 0 C--O 1.217 -0.643 0 CA-C-N 115.191 -0.913 . . . . 64.33 110.984 177.73 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 123' ' ' THR . . . . . 0.615 HG22 HG22 ' A' ' 23' ' ' THR . 20.7 m -61.7 -27.11 68.47 Favored 'General case' 0 CA--C 1.558 1.259 0 C-N-CA 123.472 0.709 . . . . 74.21 111.748 -179.702 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 124' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -73.96 -48.49 30.08 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.117 0.967 . . . . 74.3 110.115 178.188 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 125' ' ' MET . . . . . . . . . . . . . 27.0 ptm -70.47 -27.52 64.28 Favored 'General case' 0 N--CA 1.475 0.808 0 O-C-N 123.166 0.291 . . . . 74.54 111.086 -178.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 126' ' ' GLU . . . . . 0.513 ' O ' ' HG ' ' B' ' 130' ' ' LEU . 6.9 mm-40 -65.68 -50.46 64.82 Favored 'General case' 0 C--N 1.353 0.74 0 N-CA-C 109.114 -0.698 . . . . 75.41 109.114 171.131 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 127' ' ' LEU . . . . . 0.466 HD22 HG23 ' A' ' 23' ' ' THR . 59.1 tp -56.46 -39.0 72.43 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.973 0.909 . . . . 63.4 111.367 178.761 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 128' ' ' THR . . . . . . . . . . . . . 20.6 m -71.22 -36.41 71.85 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.979 0.911 . . . . 71.14 110.339 178.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -73.89 -29.89 62.31 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.988 0.915 . . . . 73.13 110.592 -179.453 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 130' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' B' ' 126' ' ' GLU . 95.3 mt -71.97 -51.07 23.78 Favored 'General case' 0 C--N 1.351 0.661 0 C-N-CA 123.492 0.717 . . . . 74.21 109.693 179.138 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.72 -29.76 70.76 Favored 'General case' 0 C--N 1.358 0.975 0 O-C-N 123.66 0.6 . . . . 63.3 109.867 178.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 38.3 tp -65.39 -37.52 87.22 Favored 'General case' 0 C--N 1.359 0.99 0 C-N-CA 123.523 0.729 . . . . 73.2 109.929 173.181 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 133' ' ' GLN . . . . . 0.549 ' HA ' ' HB2' ' B' ' 136' ' ' LYS . 21.6 mt-30 -79.18 -16.14 57.03 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 123.052 0.541 . . . . 65.2 111.965 177.428 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 134' ' ' LEU . . . . . 0.656 HD22 ' HG ' ' A' ' 34' ' ' LEU . 3.3 mm? -70.16 -44.19 69.33 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 109.703 -0.48 . . . . 73.45 109.703 168.587 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 135' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -76.36 -20.15 57.48 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 115.627 -0.715 . . . . 60.42 111.641 177.589 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 136' ' ' LYS . . . . . 0.549 ' HB2' ' HA ' ' B' ' 133' ' ' GLN . 65.2 mttm -76.72 -36.29 57.26 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 122.963 0.505 . . . . 73.51 110.464 168.801 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -62.85 -46.95 85.52 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.592 0.757 . . . . 61.02 110.859 -179.454 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 138' ' ' THR . . . . . 0.444 HG23 ' H ' ' B' ' 139' ' ' GLN . 1.8 t -147.79 -63.97 0.26 Allowed 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 123.283 0.633 . . . . 52.32 110.648 -177.161 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 139' ' ' GLN . . . . . 0.444 ' H ' HG23 ' B' ' 138' ' ' THR . 0.4 OUTLIER -177.91 -20.13 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.81 0 C-N-CA 123.706 0.802 . . . . 62.23 111.362 177.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 140' ' ' ARG . . . . . . . . . . . . . 34.3 ttt180 69.26 160.84 0.2 Allowed 'General case' 0 N--CA 1.492 1.665 0 C-N-CA 124.657 1.183 . . . . 73.14 111.128 -177.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 141' ' ' GLN . . . . . 0.615 HE21 ' HA ' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -68.84 140.76 55.23 Favored 'General case' 0 C--N 1.356 0.873 0 N-CA-C 108.929 -0.767 . . . . 54.41 108.929 174.489 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -95.13 84.25 4.06 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-O 121.418 0.628 . . . . 71.33 110.412 -174.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 143' ' ' ARG . . . . . 0.549 ' HG3' ' HG2' ' B' ' 141' ' ' GLN . 92.8 mtt180 -95.56 -57.18 2.46 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 115.422 -0.808 . . . . 74.43 109.29 173.019 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 144' ' ' PHE . . . . . . . . . . . . . 70.0 t80 . . . . . 0 CA--C 1.553 1.075 0 C-N-CA 123.68 0.792 . . . . 74.01 108.914 -174.2 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.596 ' O ' ' HG3' ' A' ' 4' ' ' LYS . 5.4 m-20 . . . . . 0 C--O 1.212 -0.902 0 CA-C-O 120.454 0.169 . . . . 73.41 111.079 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -60.98 -8.82 3.48 Favored 'General case' 0 N--CA 1.484 1.267 0 N-CA-C 116.235 1.939 . . . . 71.53 116.235 -162.109 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.527 ' HD3' ' N ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -70.2 -33.27 71.5 Favored 'General case' 0 N--CA 1.483 1.202 0 CA-C-N 118.314 0.506 . . . . 74.3 110.443 177.49 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.596 ' HG3' ' O ' ' A' ' 1' ' ' ASP . 0.0 OUTLIER -80.78 -30.59 36.0 Favored 'General case' 0 C--O 1.212 -0.885 0 CA-C-N 115.46 -0.791 . . . . 73.44 110.081 179.298 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 26.5 tp -56.87 -44.69 82.49 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-O 121.481 0.657 . . . . 75.35 110.223 173.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.486 ' HD1' HD13 ' B' ' 105' ' ' LEU . 30.5 t80 -54.31 -49.77 68.89 Favored 'General case' 0 C--N 1.35 0.596 0 CA-C-N 113.983 -1.462 . . . . 75.22 110.42 173.139 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -67.74 -34.72 77.39 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 124.253 1.021 . . . . 65.24 113.202 -176.128 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.439 ' HG2' ' O ' ' A' ' 4' ' ' LYS . 10.9 mm-40 -65.26 -62.45 1.53 Allowed 'General case' 0 N--CA 1.483 1.213 0 CA-C-N 118.079 0.4 . . . . 70.43 111.566 -177.239 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.565 HD11 ' CD1' ' B' ' 106' ' ' TYR . 20.4 mt -58.37 -41.23 80.85 Favored 'Isoleucine or valine' 0 C--N 1.357 0.928 0 O-C-N 123.263 0.352 . . . . 64.24 111.16 178.01 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.52 ' HA ' ' HB3' ' A' ' 13' ' ' ASN . 14.9 tp -70.44 -24.38 62.88 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.1 0.56 . . . . 72.53 112.168 -178.615 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.74 -45.98 76.92 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 122.589 0.355 . . . . 74.05 110.239 173.579 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -76.88 -22.76 52.96 Favored 'General case' 0 C--O 1.216 -0.693 0 CA-C-N 116.102 -0.499 . . . . 72.11 110.62 176.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.52 ' HB3' ' HA ' ' A' ' 10' ' ' LEU . 26.8 t-20 -66.51 -36.91 83.86 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 123.221 0.608 . . . . 62.14 109.438 172.409 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -67.86 -46.15 72.55 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.048 0.939 . . . . 61.15 110.607 171.117 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.4 ttpt -57.75 -44.71 86.3 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.419 0.687 . . . . 61.4 111.0 179.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.456 ' HB3' ' HB3' ' B' ' 116' ' ' LEU . 80.5 mt -70.08 -30.1 67.25 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.141 0.976 . . . . 70.23 110.417 179.351 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.452 ' HA ' HD23 ' A' ' 20' ' ' LEU . 0.3 OUTLIER -69.83 -33.32 72.14 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.508 0.723 . . . . 75.41 109.64 173.676 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.92 -56.97 4.42 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.451 0.701 . . . . 73.22 109.863 -177.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -63.53 -34.64 78.23 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 115.916 -0.583 . . . . 60.14 112.081 -179.198 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.452 HD23 ' HA ' ' A' ' 17' ' ' LYS . 0.6 OUTLIER -65.71 -43.03 90.39 Favored 'General case' 0 N--CA 1.486 1.358 0 N-CA-C 109.262 -0.644 . . . . 55.31 109.262 174.895 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.447 ' O ' ' HG2' ' A' ' 25' ' ' MET . 23.7 t60 -58.08 -45.06 87.77 Favored 'General case' 0 C--N 1.353 0.741 0 O-C-N 124.148 0.905 . . . . 72.54 109.309 -177.708 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -60.84 -46.98 88.44 Favored 'General case' 0 N--CA 1.468 0.465 0 O-C-N 123.926 0.766 . . . . 63.32 110.909 175.467 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.569 HG21 ' ND2' ' B' ' 124' ' ' ASN . 21.5 m -66.15 -29.18 69.42 Favored 'General case' 0 N--CA 1.478 0.945 0 O-C-N 123.606 0.566 . . . . 70.44 111.222 -177.72 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.541 ' ND2' HG21 ' B' ' 123' ' ' THR . 0.9 OUTLIER -75.06 -46.08 37.23 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.706 0.802 . . . . 73.14 109.568 -179.938 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.447 ' HG2' ' O ' ' A' ' 21' ' ' HIS . 32.1 mmt -63.1 -47.91 80.84 Favored 'General case' 0 C--N 1.354 0.77 0 C-N-CA 123.089 0.556 . . . . 65.15 111.073 179.315 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.445 ' O ' ' HB2' ' A' ' 30' ' ' LEU . 12.6 pt-20 -72.3 -24.93 61.4 Favored 'General case' 0 C--O 1.21 -1.024 0 CA-C-O 118.865 -0.588 . . . . 65.31 111.373 -177.359 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.56 HD11 ' HB2' ' B' ' 126' ' ' GLU . 6.7 tt -67.39 -53.5 28.7 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 123.351 0.66 . . . . 73.41 109.484 173.092 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 83.2 m -67.11 -34.79 78.38 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.291 1.036 . . . . 74.3 111.275 -174.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.464 ' O ' ' HG2' ' A' ' 33' ' ' GLN . 6.4 t70 -62.59 -58.38 7.74 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 114.616 -1.175 . . . . 54.13 109.564 172.504 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.834 ' HG ' HD12 ' B' ' 130' ' ' LEU . 21.8 tp -53.4 -38.43 63.4 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.347 1.459 . . . . 72.41 111.028 -178.416 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.481 ' HA ' HD11 ' B' ' 130' ' ' LEU . 40.4 tptt -67.18 -50.18 61.95 Favored 'General case' 0 C--O 1.252 1.229 0 C-N-CA 126.333 1.853 . . . . 74.2 111.808 179.511 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 46.8 tp -59.69 -56.38 22.55 Favored 'General case' 0 C--O 1.246 0.875 0 CA-C-N 115.04 -0.982 . . . . 71.24 110.469 -176.277 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.481 HE21 HD12 ' A' ' 30' ' ' LEU . 4.4 pt20 -65.67 -32.87 74.68 Favored 'General case' 0 CA--C 1.553 1.06 0 CA-C-N 115.336 -0.847 . . . . 55.32 111.562 178.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.499 HD22 HD13 ' B' ' 130' ' ' LEU . 29.0 tp -46.66 -62.89 1.18 Allowed 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 123.628 0.771 . . . . 73.4 109.996 178.562 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -77.86 -14.75 59.46 Favored 'General case' 0 C--N 1.358 0.953 0 O-C-N 125.927 2.017 . . . . 73.33 112.516 -174.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -68.82 -14.21 62.89 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 122.275 -0.266 . . . . 62.23 110.443 162.476 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 81.37 59.29 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 126.307 1.843 . . . . 55.23 108.32 174.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 13.1 t -78.26 165.38 23.95 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-N 113.648 -1.615 . . . . 74.33 110.608 -177.208 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.432 ' HA ' ' HB ' ' B' ' 138' ' ' THR . 0.0 OUTLIER -107.91 -12.44 15.17 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-O 119.066 -0.492 . . . . 74.04 111.12 178.673 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.88 177.71 4.29 Favored 'General case' 0 N--CA 1.493 1.675 0 CA-C-N 118.482 0.583 . . . . 71.13 110.686 167.352 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.542 ' NE2' ' H ' ' A' ' 41' ' ' GLN . 0.5 OUTLIER -107.52 162.63 13.77 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.335 1.054 . . . . 73.34 111.082 172.919 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -109.01 81.77 1.49 Allowed 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.068 0.947 . . . . 74.01 109.53 178.306 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 91.6 mtt-85 -87.21 -40.96 14.09 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 114.751 -1.113 . . . . 72.23 108.883 171.2 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 88.4 t80 . . . . . 0 N--CA 1.472 0.653 0 C-N-CA 124.673 1.189 . . . . 72.32 109.039 171.947 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 . . . . . 0 N--CA 1.464 0.259 0 CA-C-O 121.224 0.535 . . . . 75.03 109.588 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 102' ' ' PHE . . . . . 0.556 ' HB3' HD23 ' B' ' 105' ' ' LEU . 97.4 m-85 -89.43 1.06 56.37 Favored 'General case' 0 C--O 1.243 0.739 0 CA-C-N 114.887 -1.052 . . . . 73.41 111.978 -174.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.24 -38.96 77.89 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 109.706 -0.479 . . . . 72.55 109.706 173.235 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 104' ' ' LYS . . . . . 0.475 ' O ' ' HG2' ' B' ' 108' ' ' GLN . 0.0 OUTLIER -64.43 -40.04 95.0 Favored 'General case' 0 C--O 1.208 -1.105 0 CA-C-N 115.159 -0.928 . . . . 65.53 109.931 178.61 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . 0.556 HD23 ' HB3' ' B' ' 102' ' ' PHE . 0.0 OUTLIER -55.93 -49.83 72.42 Favored 'General case' 0 C--O 1.253 1.283 0 O-C-N 123.778 0.673 . . . . 62.21 109.342 -178.106 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 106' ' ' TYR . . . . . 0.565 ' CD1' HD11 ' A' ' 9' ' ' ILE . 37.1 t80 -54.15 -48.7 70.57 Favored 'General case' 0 C--N 1.354 0.784 0 O-C-N 124.669 1.231 . . . . 75.51 109.512 179.098 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -67.64 -38.7 84.22 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.218 1.007 . . . . 75.42 113.355 -176.444 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 108' ' ' GLN . . . . . 0.475 ' HG2' ' O ' ' B' ' 104' ' ' LYS . 11.5 mm-40 -69.46 -54.66 13.19 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 122.725 0.41 . . . . 71.44 111.392 -173.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 23.5 mt -67.01 -34.7 71.59 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.787 0 O-C-N 123.527 0.517 . . . . 74.31 110.106 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 110' ' ' LEU . . . . . 0.402 ' HB2' ' O ' ' B' ' 106' ' ' TYR . 1.6 tm? -68.0 -34.36 76.37 Favored 'General case' 0 N--CA 1.491 1.591 0 C-N-CA 122.979 0.511 . . . . 62.23 110.839 176.726 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -67.95 -34.63 76.95 Favored 'General case' 0 N--CA 1.486 1.352 0 CA-C-O 120.943 0.402 . . . . 71.44 110.721 175.284 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 112' ' ' GLU . . . . . 0.463 ' O ' ' HG ' ' B' ' 116' ' ' LEU . 29.3 tp10 -74.18 -38.04 63.77 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 115.758 -0.655 . . . . 75.54 110.04 177.16 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -67.46 -39.11 85.31 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.322 1.449 . . . . 65.44 109.187 178.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 114' ' ' GLU . . . . . 0.445 ' HA ' ' HE3' ' B' ' 117' ' ' LYS . 0.9 OUTLIER -58.5 -50.85 72.27 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 125.283 1.433 . . . . 65.45 109.097 174.875 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 15.1 ttpt -55.31 -37.83 67.9 Favored 'General case' 0 C--N 1.349 0.556 0 CA-C-N 114.263 -1.335 . . . . 75.2 109.963 179.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 116' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' B' ' 112' ' ' GLU . 93.9 mt -66.57 -33.62 76.09 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 115.268 -0.878 . . . . 71.24 112.577 179.274 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . 0.445 ' HE3' ' HA ' ' B' ' 114' ' ' GLU . 0.0 OUTLIER -67.88 -37.25 81.55 Favored 'General case' 0 N--CA 1.499 1.996 0 CA-C-N 118.442 0.565 . . . . 73.01 111.264 172.511 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -69.94 -49.65 49.83 Favored 'General case' 0 C--O 1.242 0.683 0 CA-C-N 116.121 -0.49 . . . . 61.53 110.601 -177.166 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -67.57 -39.21 84.91 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 115.332 -0.849 . . . . 62.23 110.956 -176.63 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 1.7 pp -65.87 -40.36 91.55 Favored 'General case' 0 C--N 1.37 1.47 0 N-CA-C 109.38 -0.6 . . . . 74.15 109.38 -179.269 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 121' ' ' HIS . . . . . 0.457 ' O ' ' HG2' ' B' ' 125' ' ' MET . 61.3 t60 -57.16 -46.83 82.42 Favored 'General case' 0 C--N 1.356 0.867 0 O-C-N 124.193 0.933 . . . . 64.34 109.752 178.456 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 122' ' ' ASP . . . . . 0.518 ' O ' ' HG3' ' B' ' 126' ' ' GLU . 22.2 t70 -70.08 -39.57 75.52 Favored 'General case' 0 N--CA 1.475 0.777 0 O-C-N 123.777 0.673 . . . . 71.15 111.387 -178.29 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 123' ' ' THR . . . . . 0.557 HG22 HG22 ' A' ' 23' ' ' THR . 26.8 m -65.16 -32.13 73.67 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.398 0.679 . . . . 62.44 110.148 178.463 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 124' ' ' ASN . . . . . 0.569 ' ND2' HG21 ' A' ' 23' ' ' THR . 1.0 OUTLIER -72.76 -35.81 67.55 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 115.694 -0.685 . . . . 73.44 110.408 175.576 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 125' ' ' MET . . . . . 0.457 ' HG2' ' O ' ' B' ' 121' ' ' HIS . 83.0 mmm -64.9 -38.9 92.52 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.119 0.568 . . . . 50.23 111.594 176.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 126' ' ' GLU . . . . . 0.56 ' HB2' HD11 ' A' ' 27' ' ' LEU . 23.8 mt-10 -66.34 -44.73 82.46 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 109.203 -0.666 . . . . 74.22 109.203 175.533 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 127' ' ' LEU . . . . . 0.562 HD22 HG23 ' A' ' 23' ' ' THR . 45.9 tp -62.39 -37.16 84.7 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.906 1.283 . . . . 72.45 111.7 179.388 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 128' ' ' THR . . . . . . . . . . . . . 98.8 m -71.44 -43.86 65.91 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.68 0.792 . . . . 52.0 109.841 -179.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -65.16 -34.34 78.15 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 115.602 -0.726 . . . . 75.1 110.139 176.481 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 130' ' ' LEU . . . . . 0.834 HD12 ' HG ' ' A' ' 30' ' ' LEU . 0.2 OUTLIER -72.21 -47.67 48.76 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 115.548 -0.751 . . . . 74.24 109.941 -175.934 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.23 -23.62 63.9 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 109.882 -0.414 . . . . 73.25 109.882 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 40.4 tp -70.86 -43.74 67.84 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 123.438 0.695 . . . . 71.25 109.69 172.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 133' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -63.73 -30.49 71.59 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.159 0.583 . . . . 70.45 109.98 173.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 134' ' ' LEU . . . . . 0.553 ' O ' HG22 ' B' ' 138' ' ' THR . 0.2 OUTLIER -66.38 -52.93 41.8 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.067 0.947 . . . . 65.11 108.635 -177.658 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 135' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -73.44 -7.08 50.24 Favored 'General case' 0 CA--C 1.552 1.045 0 CA-C-N 115.659 -0.7 . . . . 71.4 111.237 177.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -89.41 -27.18 20.59 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 122.961 0.504 . . . . 63.35 111.086 165.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -83.68 -15.48 48.62 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 123.482 0.713 . . . . 75.24 111.1 179.256 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 138' ' ' THR . . . . . 0.553 HG22 ' O ' ' B' ' 134' ' ' LEU . 14.0 t -136.92 163.98 29.4 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.773 0.829 . . . . 72.41 111.341 179.594 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 3.8 pp0? -81.9 -22.16 36.98 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.539 0.736 . . . . 61.55 109.816 171.274 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 140' ' ' ARG . . . . . . . . . . . . . 21.5 tpp180 -69.74 169.48 12.85 Favored 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 125.144 1.378 . . . . 74.2 110.729 -178.163 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 141' ' ' GLN . . . . . 0.415 HE22 ' HB3' ' B' ' 134' ' ' LEU . 10.3 tt0 75.44 -77.93 0.05 OUTLIER 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.175 1.39 . . . . 74.43 110.805 175.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 33.13 76.42 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.783 0 C-N-CA 126.17 1.788 . . . . 74.32 114.059 -179.328 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -101.86 -72.58 0.68 Allowed 'General case' 0 C--O 1.241 0.635 0 C-N-CA 123.039 0.536 . . . . 74.44 110.56 -177.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 144' ' ' PHE . . . . . . . . . . . . . 44.6 t80 . . . . . 0 CA--C 1.551 1.017 0 N-CA-C 108.704 -0.85 . . . . 73.12 108.704 -173.436 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.481 1.102 0 CA-C-O 120.515 0.198 . . . . 64.13 111.369 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -86.62 -18.8 30.47 Favored 'General case' 0 C--O 1.239 0.52 0 N-CA-C 113.243 0.831 . . . . 64.25 113.243 -174.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.416 ' HD3' ' H ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -76.45 -38.25 55.71 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 109.015 -0.735 . . . . 63.04 109.015 179.664 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.45 ' O ' ' HG2' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -75.62 -29.55 59.25 Favored 'General case' 0 C--O 1.214 -0.781 0 CA-C-N 114.863 -1.062 . . . . 73.02 109.181 176.677 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 30.7 tp -54.47 -48.75 71.43 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.501 0.721 . . . . 61.12 110.467 174.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -56.5 -43.04 79.32 Favored 'General case' 0 C--N 1.354 0.771 0 O-C-N 124.532 1.145 . . . . 61.11 110.576 176.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -66.37 -39.77 89.31 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 123.976 0.91 . . . . 65.21 112.448 178.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.45 ' HG2' ' O ' ' A' ' 4' ' ' LYS . 13.3 mm-40 -65.07 -59.1 4.5 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 122.919 0.488 . . . . 72.14 111.519 -174.48 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.434 HD11 ' HD1' ' B' ' 106' ' ' TYR . 3.5 mt -58.96 -49.56 82.76 Favored 'Isoleucine or valine' 0 C--N 1.352 0.71 0 O-C-N 124.12 0.888 . . . . 62.03 110.38 -178.313 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.531 ' HA ' ' HB3' ' A' ' 13' ' ' ASN . 20.1 tp -70.62 -26.0 63.29 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 124.474 1.108 . . . . 73.45 112.623 -173.141 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.95 -51.34 69.69 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 122.582 0.353 . . . . 64.42 110.057 171.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.468 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 4.4 tp10 -65.27 -45.14 85.72 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-N 115.932 -0.576 . . . . 71.23 110.3 177.113 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.531 ' HB3' ' HA ' ' A' ' 10' ' ' LEU . 24.3 t-20 -57.89 -43.67 86.24 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 125.287 1.435 . . . . 72.14 110.692 -175.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.467 ' HA ' ' HE3' ' A' ' 17' ' ' LYS . 2.5 tt0 -61.63 -53.0 62.01 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 123.83 0.852 . . . . 72.3 110.049 176.342 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.7 ttpt -50.04 -41.18 47.06 Favored 'General case' 0 C--N 1.356 0.851 0 O-C-N 124.478 1.111 . . . . 72.44 110.586 176.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.476 ' HB3' ' HB3' ' B' ' 116' ' ' LEU . 96.0 mt -65.15 -34.31 78.08 Favored 'General case' 0 C--N 1.35 0.627 0 O-C-N 124.242 0.964 . . . . 65.24 111.796 -177.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.467 ' HE3' ' HA ' ' A' ' 14' ' ' GLU . 0.0 OUTLIER -67.48 -35.45 79.2 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 122.388 0.275 . . . . 71.15 111.343 172.267 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.99 -58.6 3.65 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 116.329 -0.396 . . . . 52.24 110.208 -177.233 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -62.61 -32.56 73.59 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.866 0.867 . . . . 75.1 112.343 -177.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.494 ' HB3' HE22 ' B' ' 119' ' ' GLN . 1.3 pp -66.4 -43.58 85.4 Favored 'General case' 0 C--N 1.361 1.105 0 N-CA-C 108.711 -0.848 . . . . 72.11 108.711 174.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 54.2 t60 -62.75 -34.75 77.86 Favored 'General case' 0 C--N 1.356 0.848 0 O-C-N 123.534 0.521 . . . . 73.1 110.338 -175.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -62.65 -56.65 15.78 Favored 'General case' 0 N--CA 1.476 0.863 0 O-C-N 124.24 0.962 . . . . 53.1 110.256 171.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.53 HG22 HG22 ' B' ' 123' ' ' THR . 16.2 m -67.27 -26.24 66.46 Favored 'General case' 0 CA--C 1.549 0.938 0 O-C-N 123.672 0.607 . . . . 74.35 112.163 -174.281 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.543 ' ND2' HG21 ' B' ' 123' ' ' THR . 1.0 OUTLIER -78.09 -48.27 16.42 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.699 0.8 . . . . 72.1 109.371 -179.124 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 25.4 ptt? -68.22 -39.55 82.33 Favored 'General case' 0 C--N 1.358 0.96 0 O-C-N 123.515 0.509 . . . . 72.22 109.954 -177.025 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.451 ' O ' ' HB2' ' A' ' 30' ' ' LEU . 16.3 pt-20 -75.41 -28.7 59.5 Favored 'General case' 0 C--N 1.357 0.927 0 CA-C-O 119.006 -0.521 . . . . 74.23 110.073 -177.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 66.6 tp -64.47 -43.47 94.11 Favored 'General case' 0 C--N 1.355 0.818 0 C-N-CA 122.815 0.446 . . . . 54.41 110.259 169.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 68.7 m -61.16 -48.96 79.18 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.38 0.672 . . . . 74.2 110.336 -179.036 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -58.95 -44.57 91.46 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.542 0.737 . . . . 72.23 110.745 173.07 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.489 HD12 HE21 ' A' ' 33' ' ' GLN . 13.3 tp -69.04 -40.15 78.77 Favored 'General case' 0 C--N 1.357 0.908 0 O-C-N 123.686 0.617 . . . . 70.51 110.828 -169.783 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.3 -34.45 61.29 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 122.516 0.326 . . . . 73.54 110.857 -178.606 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 28.3 tp -58.64 -58.46 8.45 Favored 'General case' 0 C--N 1.355 0.812 0 O-C-N 124.687 1.242 . . . . 74.4 110.058 -179.091 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.54 HE22 HD11 ' B' ' 134' ' ' LEU . 4.7 pp0? -70.45 -33.83 71.75 Favored 'General case' 0 C--O 1.24 0.554 0 CA-C-N 115.032 -0.985 . . . . 73.55 111.358 -177.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.45 HD23 HD22 ' B' ' 134' ' ' LEU . 1.3 tm? -52.31 -58.07 7.8 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-O 118.272 -0.87 . . . . 62.14 110.188 -178.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.0 -19.88 61.12 Favored 'General case' 0 C--N 1.361 1.102 0 O-C-N 126.293 2.246 . . . . 72.42 112.78 -177.746 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 52.7 mtpt -62.75 -17.81 61.57 Favored 'General case' 0 N--CA 1.496 1.842 0 CA-C-N 118.08 0.4 . . . . 71.34 110.456 161.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 82.75 60.86 0.01 OUTLIER 'General case' 0 CA--C 1.506 -0.74 0 C-N-CA 126.198 1.799 . . . . 53.35 109.157 169.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.451 HG22 ' O ' ' A' ' 33' ' ' GLN . 14.8 t -153.59 177.93 10.39 Favored 'General case' 0 N--CA 1.495 1.805 0 CA-C-N 113.966 -1.47 . . . . 64.1 111.837 -174.424 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.466 ' HG3' ' N ' ' A' ' 40' ' ' ARG . 3.1 pt20 -90.08 -48.54 7.12 Favored 'General case' 0 C--N 1.358 0.945 0 C-N-CA 123.642 0.777 . . . . 65.13 111.148 178.005 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.497 ' HG3' ' N ' ' A' ' 41' ' ' GLN . 9.4 tpt180 59.51 174.23 0.08 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 124.584 1.178 . . . . 72.23 110.626 -166.496 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.497 ' N ' ' HG3' ' A' ' 40' ' ' ARG . 0.0 OUTLIER 58.65 166.51 0.05 OUTLIER 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 126.151 1.78 . . . . 71.21 114.76 165.776 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -166.96 70.06 0.1 Allowed 'General case' 0 C--O 1.241 0.613 0 CA-C-N 113.839 -1.528 . . . . 72.31 107.446 177.093 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 63.4 mtt180 -60.56 -43.75 96.93 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 114.561 -1.199 . . . . 73.34 110.385 178.155 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 83.3 t80 . . . . . 0 N--CA 1.479 0.977 0 CA-C-N 115.394 -0.821 . . . . 72.33 109.037 171.169 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 . . . . . 0 N--CA 1.47 0.545 0 CA-C-O 120.847 0.356 . . . . 75.31 111.113 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 102' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -95.65 -20.11 19.2 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.549 0.74 . . . . 71.52 111.701 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.28 -38.32 73.76 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.386 0.612 . . . . 74.0 109.658 176.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 104' ' ' LYS . . . . . 0.467 ' O ' ' HG2' ' B' ' 108' ' ' GLN . 0.0 OUTLIER -76.15 -31.35 58.53 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-N 114.953 -1.021 . . . . 62.55 110.565 -178.088 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.22 -43.74 92.29 Favored 'General case' 0 C--N 1.372 1.564 0 N-CA-C 108.046 -1.094 . . . . 63.01 108.046 177.585 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 106' ' ' TYR . . . . . 0.434 ' HD1' HD11 ' A' ' 9' ' ' ILE . 30.9 t80 -57.31 -52.9 63.47 Favored 'General case' 0 C--N 1.369 1.442 0 O-C-N 124.562 1.164 . . . . 71.34 109.16 178.078 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 52.3 mm-40 -63.28 -40.52 97.61 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 124.372 1.045 . . . . 62.31 113.322 -174.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 108' ' ' GLN . . . . . 0.467 ' HG2' ' O ' ' B' ' 104' ' ' LYS . 10.1 mm-40 -66.75 -56.63 9.65 Favored 'General case' 0 N--CA 1.485 1.278 0 O-C-N 123.212 0.32 . . . . 74.32 110.54 -175.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 21.4 mt -67.6 -37.51 78.86 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.798 0 O-C-N 123.696 0.623 . . . . 62.44 110.608 -175.273 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -70.99 -34.83 71.77 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 123.536 0.734 . . . . 61.45 110.657 -178.575 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -66.68 -41.24 88.41 Favored 'General case' 0 N--CA 1.482 1.173 0 CA-C-N 117.797 0.271 . . . . 54.23 110.476 177.356 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 112' ' ' GLU . . . . . 0.472 ' O ' ' HG ' ' B' ' 116' ' ' LEU . 6.3 tp10 -64.65 -45.56 86.23 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 115.816 -0.629 . . . . 64.13 109.41 174.479 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -57.8 -43.18 85.47 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 125.152 1.381 . . . . 72.4 110.587 -178.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 114' ' ' GLU . . . . . 0.436 ' HA ' ' HE3' ' B' ' 117' ' ' LYS . 4.7 tt0 -57.99 -51.83 68.03 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.642 1.177 . . . . 60.14 110.349 176.777 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 19.6 ttpt -55.18 -39.96 70.16 Favored 'General case' 0 C--N 1.351 0.667 0 O-C-N 124.586 1.179 . . . . 75.1 110.299 177.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 116' ' ' LEU . . . . . 0.476 ' HB3' ' HB3' ' A' ' 16' ' ' LEU . 90.6 mt -65.99 -33.56 76.1 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 124.11 0.881 . . . . 63.22 112.009 -176.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . 0.436 ' HE3' ' HA ' ' B' ' 114' ' ' GLU . 0.0 OUTLIER -69.73 -39.68 76.65 Favored 'General case' 0 N--CA 1.487 1.423 0 CA-C-N 118.135 0.425 . . . . 71.25 110.656 173.057 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -66.6 -46.08 77.1 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.219 0.608 . . . . 73.22 110.9 -176.328 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 119' ' ' GLN . . . . . 0.494 HE22 ' HB3' ' A' ' 20' ' ' LEU . 5.1 pp0? -71.16 -39.84 71.67 Favored 'General case' 0 C--N 1.345 0.387 0 CA-C-N 115.265 -0.88 . . . . 75.32 111.039 -176.243 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.5 -38.69 81.18 Favored 'General case' 0 C--N 1.36 1.052 0 N-CA-C 108.999 -0.741 . . . . 73.22 108.999 -179.139 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 15.3 t60 -56.58 -48.14 78.03 Favored 'General case' 0 C--N 1.359 1.002 0 O-C-N 124.039 0.837 . . . . 74.5 109.548 178.247 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -58.63 -54.25 49.19 Favored 'General case' 0 C--N 1.349 0.563 0 O-C-N 124.5 1.125 . . . . 73.3 110.505 176.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 123' ' ' THR . . . . . 0.543 HG21 ' ND2' ' A' ' 24' ' ' ASN . 18.6 m -65.45 -26.81 68.12 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 123.5 0.72 . . . . 75.22 111.978 -174.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 124' ' ' ASN . . . . . 0.424 ' ND2' HG21 ' A' ' 23' ' ' THR . 0.9 OUTLIER -73.21 -44.9 58.92 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 109.318 -0.623 . . . . 72.42 109.318 176.365 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 125' ' ' MET . . . . . . . . . . . . . 11.7 mmt -68.47 -25.27 64.9 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.243 0.617 . . . . 74.31 111.611 176.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -66.8 -49.26 66.41 Favored 'General case' 0 C--N 1.352 0.698 0 N-CA-C 108.839 -0.8 . . . . 74.44 108.839 170.078 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 127' ' ' LEU . . . . . 0.488 HD22 HG23 ' A' ' 23' ' ' THR . 32.2 tp -63.87 -31.82 73.12 Favored 'General case' 0 CA--C 1.554 1.132 0 C-N-CA 124.274 1.03 . . . . 71.0 111.011 -179.241 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 128' ' ' THR . . . . . . . . . . . . . 47.0 m -73.65 -45.88 50.03 Favored 'General case' 0 C--N 1.356 0.867 0 C-N-CA 124.118 0.967 . . . . 74.42 109.764 178.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -58.88 -42.74 90.21 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.03 0.932 . . . . 73.52 110.127 175.427 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 130' ' ' LEU . . . . . 0.411 ' HB3' HD23 ' A' ' 30' ' ' LEU . 2.8 mm? -67.66 -40.92 84.46 Favored 'General case' 0 C--O 1.226 -0.158 0 CA-C-N 115.42 -0.809 . . . . 75.43 111.399 -177.3 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.78 -28.86 67.16 Favored 'General case' 0 CA--C 1.556 1.207 0 N-CA-C 109.185 -0.672 . . . . 55.41 109.185 179.667 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 132' ' ' LEU . . . . . 0.406 ' O ' ' HG3' ' B' ' 136' ' ' LYS . 59.0 tp -68.57 -41.53 79.59 Favored 'General case' 0 C--N 1.357 0.934 0 C-N-CA 123.597 0.759 . . . . 74.33 110.259 171.329 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 133' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -66.7 -32.79 74.33 Favored 'General case' 0 N--CA 1.479 0.988 0 O-C-N 122.255 -0.278 . . . . 72.12 110.437 177.496 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 134' ' ' LEU . . . . . 0.54 HD11 HE22 ' A' ' 33' ' ' GLN . 1.9 mm? -62.27 -52.86 62.01 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.483 0.713 . . . . 72.23 110.51 178.715 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 135' ' ' GLU . . . . . 0.565 ' HB3' ' HD3' ' B' ' 140' ' ' ARG . 12.1 pt-20 -66.01 -22.77 66.47 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 111.903 0.335 . . . . 74.32 111.903 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 136' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' B' ' 132' ' ' LEU . 9.2 mtpm? -70.74 -38.79 73.56 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 122.924 0.49 . . . . 74.42 111.515 170.759 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -84.92 -26.02 27.52 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 123.447 0.699 . . . . 73.22 112.451 -176.315 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 138' ' ' THR . . . . . 0.441 HG23 ' H ' ' B' ' 140' ' ' ARG . 9.9 t -167.68 -158.51 0.27 Allowed 'General case' 0 CA--C 1.559 1.313 0 C-N-CA 123.889 0.876 . . . . 71.43 109.181 -166.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -91.45 -10.68 40.04 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.641 0.776 . . . . 64.42 112.62 -177.419 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 140' ' ' ARG . . . . . 0.565 ' HD3' ' HB3' ' B' ' 135' ' ' GLU . 21.8 ptt-85 61.72 -179.17 0.12 Allowed 'General case' 0 N--CA 1.507 2.391 0 C-N-CA 126.353 1.861 . . . . 54.41 114.047 177.194 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 141' ' ' GLN . . . . . 0.466 ' HG3' ' HG3' ' B' ' 143' ' ' ARG . 10.6 pt20 -88.55 159.86 17.72 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 114.841 -1.072 . . . . 73.41 110.718 173.017 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -104.4 46.93 0.89 Allowed 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 115.338 -0.846 . . . . 71.24 111.051 -167.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 143' ' ' ARG . . . . . 0.466 ' HG3' ' HG3' ' B' ' 141' ' ' GLN . 14.4 mtp180 -64.74 -55.42 19.94 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 108.242 -1.022 . . . . 75.15 108.242 169.109 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 144' ' ' PHE . . . . . . . . . . . . . 57.6 t80 . . . . . 0 C--O 1.248 1.003 0 CA-C-N 113.517 -1.674 . . . . 72.22 106.537 175.255 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.405 ' O ' ' HG3' ' A' ' 4' ' ' LYS . 7.6 m-20 . . . . . 0 N--CA 1.482 1.138 0 N-CA-C 111.876 0.325 . . . . 74.43 111.876 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -56.22 -15.37 3.74 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 114.901 1.445 . . . . 63.43 114.901 -176.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.35 -41.33 80.87 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-N 119.028 0.831 . . . . 75.54 109.768 173.415 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.435 ' O ' ' HG2' ' A' ' 8' ' ' GLN . 0.1 OUTLIER -74.37 -24.72 59.2 Favored 'General case' 0 C--N 1.358 0.976 0 CA-C-O 118.793 -0.622 . . . . 44.41 110.018 178.776 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 34.8 tp -53.82 -47.85 70.47 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 122.648 0.379 . . . . 70.52 110.464 172.382 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -54.38 -50.96 66.28 Favored 'General case' 0 C--N 1.353 0.732 0 O-C-N 124.425 1.078 . . . . 73.41 109.949 175.043 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -59.32 -35.08 73.16 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.44 1.096 . . . . 62.52 112.772 -179.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.435 ' HG2' ' O ' ' A' ' 4' ' ' LYS . 11.9 mm-40 -66.32 -62.71 1.33 Allowed 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 122.952 0.501 . . . . 54.35 111.714 -177.365 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.509 HD11 ' CD2' ' B' ' 106' ' ' TYR . 3.2 mt -59.28 -43.63 90.35 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.954 0 O-C-N 123.853 0.72 . . . . 64.42 111.076 178.62 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.99 -31.68 72.41 Favored 'General case' 0 N--CA 1.49 1.575 0 C-N-CA 123.826 0.85 . . . . 52.32 110.976 -176.569 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.72 -43.37 98.98 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-O 121.053 0.454 . . . . 41.53 109.862 174.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.459 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 2.3 tp10 -69.66 -37.09 76.58 Favored 'General case' 0 C--O 1.213 -0.817 0 CA-C-N 114.984 -1.007 . . . . 74.43 110.787 175.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -66.45 -45.22 80.54 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 124.874 1.27 . . . . 73.22 110.821 -173.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -67.29 -45.22 77.22 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 114.713 -1.131 . . . . 64.35 110.57 176.118 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.7 ttpt -52.58 -43.69 65.43 Favored 'General case' 0 CA--C 1.549 0.907 0 O-C-N 123.707 0.629 . . . . 73.22 110.585 173.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 12' ' ' GLU . 94.6 mt -69.75 -32.05 70.35 Favored 'General case' 0 C--N 1.356 0.864 0 C-N-CA 123.91 0.884 . . . . 72.53 111.161 -179.693 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.43 ' HB3' ' HE3' ' A' ' 17' ' ' LYS . 0.2 OUTLIER -68.48 -33.6 74.45 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 123.447 0.699 . . . . 74.41 110.231 174.302 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.56 -52.03 14.91 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.409 0.683 . . . . 72.35 110.922 -177.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -66.9 -36.61 82.67 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.269 0.628 . . . . 62.22 112.113 -179.21 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.26 -45.41 88.21 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 109.047 -0.723 . . . . 72.11 109.047 176.148 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 45.6 t-80 -60.2 -42.94 96.15 Favored 'General case' 0 C--N 1.35 0.62 0 O-C-N 124.167 0.917 . . . . 72.33 109.987 -175.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -69.87 -37.45 76.1 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 115.708 -0.678 . . . . 72.03 111.296 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.508 ' HA ' ' HG2' ' A' ' 26' ' ' GLU . 16.2 m -72.97 -29.58 63.17 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 122.594 0.358 . . . . 74.12 110.458 178.308 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.542 ' ND2' HG21 ' B' ' 123' ' ' THR . 0.9 OUTLIER -71.08 -43.88 66.85 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 109.202 -0.666 . . . . 72.35 109.202 177.774 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 15.8 mmt -63.36 -50.07 71.38 Favored 'General case' 0 C--N 1.346 0.456 0 CA-C-N 116.233 -0.44 . . . . 72.44 111.109 178.099 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.508 ' HG2' ' HA ' ' A' ' 23' ' ' THR . 12.8 pt-20 -68.36 -27.03 65.89 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-O 119.31 -0.376 . . . . 71.45 111.157 -177.743 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 63.3 tp -70.52 -40.88 73.24 Favored 'General case' 0 C--N 1.356 0.868 0 C-N-CA 123.361 0.664 . . . . 63.55 110.636 173.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 87.7 m -63.83 -43.99 94.56 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.294 0.638 . . . . 44.05 109.849 177.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.506 ' O ' ' HG3' ' A' ' 33' ' ' GLN . 5.5 m-20 -59.91 -52.18 66.52 Favored 'General case' 0 C--N 1.345 0.407 0 CA-C-N 115.131 -0.941 . . . . 64.31 109.64 173.354 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.528 HD12 ' HB3' ' B' ' 130' ' ' LEU . 0.3 OUTLIER -64.74 -41.6 95.81 Favored 'General case' 0 C--O 1.207 -1.159 0 O-C-N 123.653 0.596 . . . . 43.24 109.449 -170.711 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.419 ' HE2' ' HB2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -69.15 -36.77 77.77 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 110.126 -0.324 . . . . 72.41 110.126 -176.151 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.412 ' O ' ' HG2' ' A' ' 35' ' ' GLU . 39.7 tp -66.56 -56.52 10.41 Favored 'General case' 0 C--N 1.356 0.879 0 O-C-N 123.83 0.706 . . . . 74.25 110.766 179.584 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.506 ' HG3' ' O ' ' A' ' 29' ' ' ASP . 0.4 OUTLIER -65.82 -34.23 77.68 Favored 'General case' 0 C--O 1.25 1.08 0 O-C-N 122.242 -0.286 . . . . 72.04 111.532 -179.143 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.514 HD23 ' HA ' ' B' ' 134' ' ' LEU . 0.6 OUTLIER -53.56 -60.93 2.68 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-O 118.179 -0.915 . . . . 54.3 109.733 178.578 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.412 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 12.7 pt-20 -63.74 -28.04 69.61 Favored 'General case' 0 N--CA 1.481 1.124 0 O-C-N 126.413 2.32 . . . . 75.23 112.039 -176.562 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.401 ' HD3' ' HA ' ' A' ' 33' ' ' GLN . 59.5 mtpt -68.02 -12.38 60.69 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 123.273 0.629 . . . . 71.23 110.993 170.343 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 81.9 52.8 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 126.185 1.794 . . . . 74.23 108.314 170.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 6.1 t -79.17 -174.62 4.21 Favored 'General case' 0 N--CA 1.487 1.401 0 CA-C-N 113.568 -1.651 . . . . 75.23 112.77 -168.196 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.0 pm0 -126.83 -41.68 1.81 Allowed 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.624 1.17 . . . . 51.53 109.681 170.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 24.5 ptt180 -127.69 -176.58 3.81 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-O 121.511 0.672 . . . . 74.23 110.409 -174.261 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.432 ' HB3' ' OE1' ' A' ' 33' ' ' GLN . 0.0 OUTLIER -146.3 -179.05 6.47 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.015 1.326 . . . . 72.44 108.266 175.09 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -112.5 74.93 0.89 Allowed 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 108.291 -1.003 . . . . 54.12 108.291 173.004 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.478 ' HE ' ' HA ' ' A' ' 43' ' ' ARG . 0.1 OUTLIER -133.51 -51.68 0.87 Allowed 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 114.506 -1.225 . . . . 63.14 109.66 -174.725 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 48.4 t80 . . . . . 0 N--CA 1.476 0.847 0 C-N-CA 123.323 0.649 . . . . 75.13 109.867 176.459 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 101' ' ' ASP . . . . . 0.421 ' O ' ' HG3' ' B' ' 104' ' ' LYS . 8.5 m-20 . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 121.632 0.73 . . . . 75.53 109.656 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 102' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -81.52 -8.77 59.77 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.486 1.114 . . . . 75.4 112.731 -168.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.62 -36.79 74.62 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 109.793 -0.447 . . . . 73.12 109.793 176.184 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 104' ' ' LYS . . . . . 0.427 ' O ' ' HG2' ' B' ' 108' ' ' GLN . 0.0 OUTLIER -68.47 -35.04 76.99 Favored 'General case' 0 C--N 1.361 1.068 0 CA-C-O 118.559 -0.734 . . . . 55.2 110.835 179.11 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.3 -39.66 95.2 Favored 'General case' 0 C--N 1.369 1.455 0 N-CA-C 108.399 -0.963 . . . . 75.05 108.399 -179.118 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 106' ' ' TYR . . . . . 0.509 ' CD2' HD11 ' A' ' 9' ' ' ILE . 34.1 t80 -61.79 -42.62 99.23 Favored 'General case' 0 C--N 1.359 0.979 0 O-C-N 124.102 0.876 . . . . 73.44 109.161 176.12 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -63.2 -45.3 92.37 Favored 'General case' 0 C--O 1.213 -0.823 0 C-N-CA 123.088 0.555 . . . . 74.12 111.386 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 108' ' ' GLN . . . . . 0.427 ' HG2' ' O ' ' B' ' 104' ' ' LYS . 14.3 mm-40 -67.3 -57.5 6.54 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 122.484 0.313 . . . . 61.54 111.169 -172.485 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 13.9 mt -71.53 -38.18 66.84 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.831 0 CA-C-N 115.513 -0.767 . . . . 73.34 111.011 -172.291 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 110' ' ' LEU . . . . . 0.439 ' HA ' ' HB3' ' B' ' 113' ' ' ASN . 1.5 tm? -74.61 -31.9 62.16 Favored 'General case' 0 N--CA 1.493 1.682 0 C-N-CA 123.005 0.522 . . . . 75.33 110.282 -178.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.89 -44.99 87.83 Favored 'General case' 0 N--CA 1.483 1.211 0 CA-C-O 120.961 0.41 . . . . 71.31 109.901 173.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 112' ' ' GLU . . . . . 0.495 ' O ' ' HG ' ' B' ' 116' ' ' LEU . 38.4 tp10 -63.32 -39.82 95.63 Favored 'General case' 0 C--O 1.209 -1.076 0 CA-C-N 115.005 -0.998 . . . . 74.43 110.538 173.548 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 113' ' ' ASN . . . . . 0.439 ' HB3' ' HA ' ' B' ' 110' ' ' LEU . 24.0 t-20 -63.48 -38.24 90.36 Favored 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 124.709 1.204 . . . . 74.23 110.954 -178.476 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -67.24 -44.97 78.11 Favored 'General case' 0 C--O 1.243 0.743 0 C-N-CA 124.153 0.981 . . . . 62.43 110.11 175.023 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 20.7 ttpt -56.97 -43.01 81.19 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 115.664 -0.698 . . . . 74.13 109.908 174.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 116' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' B' ' 112' ' ' GLU . 97.8 mt -65.26 -36.92 85.59 Favored 'General case' 0 C--N 1.353 0.76 0 O-C-N 124.276 0.985 . . . . 55.52 110.82 -179.09 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.96 -42.09 97.39 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 123.673 0.789 . . . . 73.34 109.895 177.026 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -75.18 -38.89 60.66 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 115.9 -0.591 . . . . 73.22 111.683 -175.002 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -74.89 -38.53 61.85 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 122.984 0.514 . . . . 71.32 111.059 -177.552 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 2.9 pp -64.79 -39.04 92.94 Favored 'General case' 0 C--N 1.367 1.343 0 N-CA-C 108.659 -0.867 . . . . 73.51 108.659 177.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 12.2 t60 -57.27 -49.68 75.3 Favored 'General case' 0 C--N 1.355 0.805 0 O-C-N 124.522 1.139 . . . . 72.41 109.224 178.116 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 122' ' ' ASP . . . . . 0.493 ' O ' ' HG2' ' B' ' 126' ' ' GLU . 26.6 t70 -59.66 -48.12 82.93 Favored 'General case' 0 C--N 1.351 0.647 0 O-C-N 124.505 1.128 . . . . 73.35 110.761 179.038 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 123' ' ' THR . . . . . 0.542 HG21 ' ND2' ' A' ' 24' ' ' ASN . 27.0 m -67.09 -33.41 75.43 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.676 0.79 . . . . 72.35 111.416 -175.613 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 124' ' ' ASN . . . . . 0.464 ' ND2' HG21 ' A' ' 23' ' ' THR . 0.9 OUTLIER -71.23 -38.18 72.0 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.344 0.658 . . . . 73.43 109.454 176.179 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 125' ' ' MET . . . . . . . . . . . . . 1.5 mmt -69.46 -32.19 70.95 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.546 0.739 . . . . 74.53 111.656 176.556 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 126' ' ' GLU . . . . . 0.493 ' HG2' ' O ' ' B' ' 122' ' ' ASP . 11.7 mm-40 -64.66 -45.38 86.99 Favored 'General case' 0 C--O 1.215 -0.738 0 N-CA-C 108.651 -0.87 . . . . 74.12 108.651 173.366 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 37.0 tp -66.13 -33.69 76.35 Favored 'General case' 0 CA--C 1.553 1.08 0 C-N-CA 123.677 0.791 . . . . 73.31 111.49 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 128' ' ' THR . . . . . 0.492 ' O ' ' HG3' ' B' ' 131' ' ' LYS . 55.4 m -73.18 -36.37 66.57 Favored 'General case' 0 N--CA 1.484 1.232 0 CA-C-O 121.502 0.667 . . . . 74.15 110.058 177.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 129' ' ' ASP . . . . . 0.441 ' O ' ' HG3' ' B' ' 133' ' ' GLN . 20.5 t70 -69.32 -35.64 76.15 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 115.737 -0.665 . . . . 72.42 109.505 173.708 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 130' ' ' LEU . . . . . 0.528 ' HB3' HD12 ' A' ' 30' ' ' LEU . 1.1 mm? -71.96 -35.68 69.64 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 123.995 0.918 . . . . 65.32 111.513 -177.639 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 131' ' ' LYS . . . . . 0.492 ' HG3' ' O ' ' B' ' 128' ' ' THR . 0.1 OUTLIER -73.39 -30.6 63.37 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 108.967 -0.753 . . . . 62.31 108.967 177.13 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 51.0 tp -65.53 -46.08 80.98 Favored 'General case' 0 C--N 1.356 0.876 0 CA-C-N 116.121 -0.49 . . . . 74.55 109.886 174.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 133' ' ' GLN . . . . . 0.441 ' HG3' ' O ' ' B' ' 129' ' ' ASP . 40.5 mt-30 -63.05 -35.38 80.05 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 116.164 -0.471 . . . . 65.43 109.817 174.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 134' ' ' LEU . . . . . 0.514 ' HA ' HD23 ' A' ' 34' ' ' LEU . 1.4 tm? -59.47 -61.19 2.81 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 124.199 0.999 . . . . 75.31 109.472 -176.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 135' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -59.01 -37.5 77.04 Favored 'General case' 0 CA--C 1.55 0.951 0 O-C-N 124.327 1.017 . . . . 62.35 111.093 -178.14 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 9.0 mtpm? -70.39 -32.7 70.47 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.261 0.624 . . . . 51.32 111.887 178.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -92.16 -8.36 45.8 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 122.93 0.492 . . . . 74.23 111.665 -177.174 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 138' ' ' THR . . . . . 0.432 HG22 ' O ' ' B' ' 134' ' ' LEU . 6.0 t -126.08 172.37 10.05 Favored 'General case' 0 C--N 1.354 0.78 0 CA-C-O 122.074 0.94 . . . . 75.44 112.68 -178.574 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 4.5 pm0 -102.64 -10.01 19.61 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 125.909 1.684 . . . . 74.01 109.836 174.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 140' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -78.09 -162.22 0.32 Allowed 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.853 1.261 . . . . 70.13 110.989 -176.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 5.3 pm0 -56.01 163.22 1.59 Allowed 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 113.658 0.984 . . . . 72.02 113.658 -177.439 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -79.4 -23.05 43.51 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 113.746 -1.57 . . . . 74.54 109.193 175.022 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 82.06 -73.07 0.04 OUTLIER 'General case' 0 C--N 1.355 0.834 0 C-N-CA 126.177 1.791 . . . . 73.05 109.825 175.289 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 144' ' ' PHE . . . . . . . . . . . . . 67.9 t80 . . . . . 0 CA--C 1.552 1.023 0 C-N-CA 123.755 0.822 . . . . 72.21 109.453 -174.787 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.446 ' O ' ' HG3' ' A' ' 4' ' ' LYS . 1.1 m-20 . . . . . 0 N--CA 1.485 1.29 0 N-CA-C 111.281 0.104 . . . . 71.25 111.281 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.436 ' HD1' HD22 ' A' ' 5' ' ' LEU . 54.4 m-85 -62.89 -14.45 46.56 Favored 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 114.475 1.287 . . . . 70.34 114.475 -170.45 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.63 -43.62 98.36 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 109.587 -0.523 . . . . 72.11 109.587 173.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.446 ' HG3' ' O ' ' A' ' 1' ' ' ASP . 0.1 OUTLIER -81.8 -26.28 34.53 Favored 'General case' 0 C--O 1.211 -0.965 0 CA-C-O 118.725 -0.655 . . . . 72.14 109.649 -178.162 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.436 HD22 ' HD1' ' A' ' 2' ' ' PHE . 19.5 tp -54.69 -48.76 72.03 Favored 'General case' 0 N--CA 1.491 1.604 0 CA-C-O 121.304 0.573 . . . . 75.01 109.604 176.513 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -54.54 -51.86 63.85 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-N 113.743 -1.571 . . . . 73.21 109.927 173.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -60.1 -36.26 77.03 Favored 'General case' 0 C--O 1.216 -0.675 0 O-C-N 124.127 0.892 . . . . 65.11 112.793 -176.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 -63.84 -63.96 1.02 Allowed 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 122.657 0.383 . . . . 73.14 110.719 -175.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.557 HD13 ' HB2' ' B' ' 110' ' ' LEU . 18.5 mt -60.91 -41.03 87.32 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.033 0 CA-C-O 119.321 -0.371 . . . . 32.11 111.396 178.514 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.16 -30.23 70.67 Favored 'General case' 0 N--CA 1.491 1.576 0 C-N-CA 123.324 0.65 . . . . 72.12 110.757 -177.233 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.48 -50.74 68.49 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 122.601 0.36 . . . . 74.5 110.48 179.052 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.468 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 36.6 tt0 -67.67 -38.16 83.35 Favored 'General case' 0 C--O 1.213 -0.84 0 CA-C-N 116.196 -0.456 . . . . 62.31 109.961 176.564 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -60.09 -37.88 81.25 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 124.543 1.137 . . . . 63.4 110.854 -179.626 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -65.39 -49.91 67.51 Favored 'General case' 0 C--O 1.242 0.683 0 C-N-CA 124.449 1.1 . . . . 74.32 109.902 175.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.6 ttpt -55.31 -42.0 73.14 Favored 'General case' 0 C--O 1.211 -0.944 0 O-C-N 124.3 1.0 . . . . 74.31 109.778 176.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.475 ' HB3' ' HB3' ' B' ' 116' ' ' LEU . 95.3 mt -65.91 -37.2 85.47 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.616 1.166 . . . . 64.23 111.317 -176.678 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.487 ' HA ' HD23 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -66.46 -36.71 83.44 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 115.857 -0.611 . . . . 73.13 109.665 176.174 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.25 -51.09 16.37 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 115.459 -0.791 . . . . 44.15 111.055 -175.072 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -66.71 -34.25 77.43 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.738 0.815 . . . . 43.35 112.053 -178.732 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.487 HD23 ' HA ' ' A' ' 17' ' ' LYS . 0.5 OUTLIER -67.46 -41.84 84.0 Favored 'General case' 0 C--N 1.351 0.673 0 N-CA-C 108.409 -0.96 . . . . 72.54 108.409 176.275 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -58.41 -41.58 85.28 Favored 'General case' 0 C--N 1.357 0.911 0 O-C-N 123.813 0.695 . . . . 73.01 109.998 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -62.17 -57.28 12.1 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 123.417 0.448 . . . . 63.11 110.546 175.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.565 HG22 HG22 ' B' ' 123' ' ' THR . 22.4 m -60.9 -30.72 70.35 Favored 'General case' 0 CA--C 1.548 0.892 0 O-C-N 124.31 1.006 . . . . 73.25 111.847 -174.358 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.615 ' ND2' HG21 ' B' ' 123' ' ' THR . 0.9 OUTLIER -74.36 -48.67 26.64 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.554 0.742 . . . . 72.44 109.512 177.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 9.3 mmt -63.11 -43.82 97.39 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.354 0.662 . . . . 70.13 111.956 -179.12 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -78.7 -22.03 47.25 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 122.773 0.429 . . . . 52.52 110.614 -177.153 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.8 tt -65.2 -40.86 94.75 Favored 'General case' 0 C--N 1.354 0.803 0 N-CA-C 108.904 -0.776 . . . . 61.31 108.904 166.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 20.3 m -63.46 -42.87 98.63 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 123.243 0.617 . . . . 74.12 110.188 179.169 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -59.45 -47.81 84.05 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-N 115.807 -0.633 . . . . 75.24 110.097 170.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.1 mp -62.65 -39.87 95.23 Favored 'General case' 0 C--O 1.214 -0.81 0 O-C-N 124.454 1.097 . . . . 72.21 111.866 -173.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.13 -34.67 59.43 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 122.685 0.394 . . . . 72.11 111.158 -177.634 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 63.3 tp -68.16 -49.38 61.33 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 124.156 0.91 . . . . 71.34 110.057 -177.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -69.37 -40.6 77.34 Favored 'General case' 0 CA--C 1.55 0.974 0 CA-C-N 115.517 -0.765 . . . . 73.11 109.86 179.284 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -52.65 -56.29 16.46 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-O 118.073 -0.965 . . . . 54.41 109.794 -177.05 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -63.68 -28.63 70.03 Favored 'General case' 0 CA--C 1.555 1.14 0 O-C-N 126.385 2.303 . . . . 72.34 112.777 -179.408 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -66.29 -15.18 63.01 Favored 'General case' 0 N--CA 1.498 1.941 0 C-N-CA 122.357 0.263 . . . . 74.34 111.413 167.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 81.7 56.74 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 126.566 1.946 . . . . 70.03 108.164 178.009 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 9.2 m -86.09 136.36 33.25 Favored 'General case' 0 N--CA 1.486 1.339 0 CA-C-N 114.204 -1.362 . . . . 65.51 113.107 -171.007 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.442 ' HA ' HG21 ' B' ' 138' ' ' THR . 12.0 pt20 -98.33 -51.85 3.85 Favored 'General case' 0 C--N 1.351 0.665 0 C-N-CA 124.44 1.096 . . . . 75.45 110.574 177.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.524 ' HD2' ' HB3' ' B' ' 141' ' ' GLN . 9.8 tpt180 -117.5 138.28 51.98 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.163 0.585 . . . . 73.34 110.476 -179.779 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 20.1 pm0 -136.4 -163.73 1.45 Allowed 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.213 1.005 . . . . 73.31 108.685 175.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -143.18 -40.04 0.32 Allowed 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.301 0.64 . . . . 72.2 110.365 175.019 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 72.3 mtm180 73.65 -56.0 0.66 Allowed 'General case' 0 N--CA 1.493 1.722 0 C-N-CA 125.773 1.629 . . . . 75.41 111.449 -175.045 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 65.7 t80 . . . . . 0 N--CA 1.476 0.839 0 C-N-CA 123.996 0.918 . . . . 63.2 110.988 178.369 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 . . . . . 0 N--CA 1.47 0.552 0 CA-C-O 120.831 0.348 . . . . 63.43 110.79 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 102' ' ' PHE . . . . . 0.447 ' O ' ' HG ' ' B' ' 105' ' ' LEU . 98.5 m-85 -110.28 -20.84 12.5 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.7 0.8 . . . . 64.15 111.913 -175.736 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 103' ' ' LYS . . . . . 0.428 ' H ' ' HD2' ' B' ' 103' ' ' LYS . 0.0 OUTLIER -56.56 -37.15 70.15 Favored 'General case' 0 N--CA 1.481 1.122 0 CA-C-O 121.28 0.562 . . . . 62.14 109.728 174.931 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 104' ' ' LYS . . . . . 0.491 ' O ' ' HG2' ' B' ' 108' ' ' GLN . 0.0 OUTLIER -68.43 -35.45 77.64 Favored 'General case' 0 C--O 1.211 -0.955 0 CA-C-N 114.718 -1.128 . . . . 75.24 110.857 179.36 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' B' ' 102' ' ' PHE . 0.5 OUTLIER -60.94 -42.92 99.13 Favored 'General case' 0 C--N 1.376 1.721 0 N-CA-C 108.754 -0.832 . . . . 73.24 108.754 179.166 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 106' ' ' TYR . . . . . 0.507 ' CD2' HD11 ' A' ' 9' ' ' ILE . 44.4 t80 -57.01 -47.46 80.82 Favored 'General case' 0 C--N 1.356 0.877 0 CA-C-N 114.906 -1.043 . . . . 75.23 109.906 177.459 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -68.48 -42.57 78.5 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 123.83 0.852 . . . . 53.55 113.114 -177.537 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 108' ' ' GLN . . . . . 0.491 ' HG2' ' O ' ' B' ' 104' ' ' LYS . 11.5 mm-40 -66.09 -51.51 57.4 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 122.665 0.386 . . . . 72.54 110.859 -174.203 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 18.0 mt -69.0 -38.1 78.04 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.731 0 CA-C-N 115.993 -0.549 . . . . 64.23 110.702 -178.172 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 110' ' ' LEU . . . . . 0.557 ' HB2' HD13 ' A' ' 9' ' ' ILE . 20.8 tp -74.17 -27.19 60.71 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 122.504 0.322 . . . . 71.4 111.614 -178.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -67.0 -41.49 86.62 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-O 120.828 0.347 . . . . 75.41 110.067 172.017 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 112' ' ' GLU . . . . . 0.489 ' O ' ' HG ' ' B' ' 116' ' ' LEU . 24.9 tp10 -67.82 -41.75 82.58 Favored 'General case' 0 C--O 1.211 -0.945 0 CA-C-N 115.284 -0.871 . . . . 75.41 110.357 175.563 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 34.5 t-20 -65.38 -42.2 92.96 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 124.686 1.194 . . . . 54.34 110.332 -177.68 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -59.01 -47.63 84.51 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.372 1.069 . . . . 74.32 110.432 173.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 29.9 ttpt -58.16 -47.12 84.37 Favored 'General case' 0 C--N 1.347 0.479 0 CA-C-N 115.343 -0.844 . . . . 64.14 109.976 177.368 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 116' ' ' LEU . . . . . 0.489 ' HG ' ' O ' ' B' ' 112' ' ' GLU . 95.4 mt -64.03 -29.39 70.54 Favored 'General case' 0 C--N 1.351 0.667 0 O-C-N 124.049 0.843 . . . . 64.11 110.901 -176.759 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . 0.461 ' HA ' HD23 ' B' ' 120' ' ' LEU . 0.2 OUTLIER -68.87 -44.39 73.4 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 123.758 0.823 . . . . 74.11 110.29 176.514 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -70.26 -45.74 65.81 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 115.175 -0.921 . . . . 61.4 111.3 -176.401 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -72.91 -31.77 64.89 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.753 0.821 . . . . 63.43 111.494 -175.265 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 120' ' ' LEU . . . . . 0.461 HD23 ' HA ' ' B' ' 117' ' ' LYS . 0.9 OUTLIER -67.36 -43.79 80.57 Favored 'General case' 0 C--N 1.359 0.979 0 N-CA-C 109.105 -0.702 . . . . 72.34 109.105 175.709 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 44.3 t-80 -60.23 -37.63 80.92 Favored 'General case' 0 C--N 1.357 0.898 0 O-C-N 123.984 0.803 . . . . 75.33 110.221 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 122' ' ' ASP . . . . . 0.523 ' O ' ' HG2' ' B' ' 126' ' ' GLU . 20.3 t70 -59.14 -60.91 3.1 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 114.502 -1.227 . . . . 75.53 110.385 171.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 123' ' ' THR . . . . . 0.615 HG21 ' ND2' ' A' ' 24' ' ' ASN . 16.8 m -61.47 -26.02 67.63 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 122.966 0.507 . . . . 75.31 112.108 -176.387 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 124' ' ' ASN . . . . . 0.449 ' ND2' HG21 ' A' ' 23' ' ' THR . 1.0 OUTLIER -71.45 -42.21 68.47 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.375 0.67 . . . . 64.25 110.535 177.582 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 125' ' ' MET . . . . . 0.492 ' HG2' ' O ' ' B' ' 122' ' ' ASP . 22.5 ptp -74.2 -27.19 60.69 Favored 'General case' 0 C--N 1.358 0.949 0 N-CA-C 110.3 -0.259 . . . . 71.11 110.3 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 126' ' ' GLU . . . . . 0.523 ' HG2' ' O ' ' B' ' 122' ' ' ASP . 8.8 mm-40 -68.67 -42.88 77.25 Favored 'General case' 0 C--N 1.354 0.769 0 N-CA-C 109.199 -0.667 . . . . 72.21 109.199 173.734 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 9.3 tt -62.5 -38.74 91.08 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.479 0.712 . . . . 70.02 109.975 176.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 128' ' ' THR . . . . . . . . . . . . . 84.2 m -64.48 -36.55 84.56 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.681 0.792 . . . . 71.33 110.964 176.375 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 129' ' ' ASP . . . . . 0.415 ' O ' ' HG3' ' B' ' 133' ' ' GLN . 13.3 t70 -62.76 -47.72 82.3 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.055 0.542 . . . . 71.03 109.894 174.057 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 130' ' ' LEU . . . . . 0.467 HD13 ' NE2' ' B' ' 133' ' ' GLN . 3.2 mm? -60.09 -37.92 81.38 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 123.904 0.753 . . . . 53.12 111.823 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 131' ' ' LYS . . . . . 0.565 ' O ' ' HG3' ' B' ' 135' ' ' GLU . 9.7 mtmp? -60.92 -55.16 36.23 Favored 'General case' 0 C--N 1.354 0.769 0 N-CA-C 109.476 -0.564 . . . . 75.14 109.476 173.693 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 42.2 tp -52.29 -39.11 60.07 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 124.971 1.42 . . . . 72.11 111.487 -176.49 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 133' ' ' GLN . . . . . 0.467 ' NE2' HD13 ' B' ' 130' ' ' LEU . 40.9 mt-30 -69.24 -36.92 77.67 Favored 'General case' 0 C--O 1.215 -0.727 0 C-N-CA 122.672 0.389 . . . . 64.52 111.005 178.283 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 54.8 mt -62.08 -38.97 90.85 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 123.091 0.556 . . . . 74.44 110.473 173.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 135' ' ' GLU . . . . . 0.565 ' HG3' ' O ' ' B' ' 131' ' ' LYS . 17.3 mt-10 -68.7 -39.09 80.66 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.822 0.849 . . . . 71.34 109.943 -178.607 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -72.01 -55.05 8.09 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 114.591 -1.186 . . . . 75.4 112.317 178.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -60.69 -31.94 71.18 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 124.596 1.158 . . . . 73.43 111.55 -176.083 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 138' ' ' THR . . . . . 0.442 HG21 ' HA ' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -147.82 -83.93 0.11 Allowed 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.35 0.66 . . . . 74.21 110.161 179.617 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -166.58 -25.87 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.119 0 CA-C-O 118.753 -0.642 . . . . 55.1 112.554 -174.627 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 140' ' ' ARG . . . . . . . . . . . . . 19.9 ttt180 70.27 146.55 0.06 Allowed 'General case' 0 N--CA 1.493 1.711 0 C-N-CA 124.056 0.942 . . . . 74.4 110.394 -175.157 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 141' ' ' GLN . . . . . 0.524 ' HB3' ' HD2' ' A' ' 40' ' ' ARG . 4.3 pt20 -59.3 154.44 16.57 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 122.814 0.446 . . . . 63.3 112.053 176.432 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -88.85 73.44 8.4 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.814 0.846 . . . . 74.5 110.38 -172.236 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -91.68 -72.12 0.6 Allowed 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 115.194 -0.912 . . . . 74.24 109.83 172.292 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 144' ' ' PHE . . . . . . . . . . . . . 48.2 t80 . . . . . 0 C--O 1.252 1.213 0 N-CA-C 107.999 -1.112 . . . . 73.34 107.999 176.684 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 . . . . . 0 N--CA 1.482 1.175 0 N-CA-C 111.665 0.246 . . . . 74.24 111.665 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 -87.26 -26.48 23.45 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 113.885 1.069 . . . . 72.42 113.885 -172.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.435 ' HD3' ' H ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -68.09 -40.07 82.73 Favored 'General case' 0 N--CA 1.482 1.155 0 CA-C-O 121.391 0.615 . . . . 72.31 109.484 177.6 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.455 ' O ' ' HG2' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -78.72 -30.59 45.97 Favored 'General case' 0 C--O 1.211 -0.948 0 CA-C-N 115.087 -0.96 . . . . 73.34 109.833 177.205 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.427 ' O ' HG13 ' A' ' 9' ' ' ILE . 36.0 tp -53.52 -46.26 70.04 Favored 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 122.771 0.428 . . . . 73.24 110.193 174.24 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -55.47 -49.42 72.55 Favored 'General case' 0 C--N 1.355 0.833 0 O-C-N 124.824 1.327 . . . . 72.51 109.712 176.124 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 46.8 mm-40 -59.59 -38.27 80.76 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.344 1.058 . . . . 72.25 112.496 179.006 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.455 ' HG2' ' O ' ' A' ' 4' ' ' LYS . 10.9 mm-40 -68.69 -51.91 36.63 Favored 'General case' 0 N--CA 1.483 1.201 0 O-C-N 123.545 0.528 . . . . 75.34 111.141 -175.291 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.427 HG13 ' O ' ' A' ' 5' ' ' LEU . 3.8 mt -62.85 -49.42 83.74 Favored 'Isoleucine or valine' 0 C--N 1.359 1.02 0 O-C-N 123.521 0.513 . . . . 64.12 109.892 178.519 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.18 -27.29 69.26 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 124.683 1.193 . . . . 72.54 110.603 -177.299 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.75 -56.82 17.03 Favored 'General case' 0 N--CA 1.482 1.128 0 CA-C-O 121.35 0.595 . . . . 60.43 110.22 173.317 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.503 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 27.5 tp10 -66.26 -34.29 77.66 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 115.214 -0.903 . . . . 75.33 110.592 178.494 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -67.51 -46.25 73.41 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.342 1.057 . . . . 73.44 109.991 -175.214 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.406 ' HA ' ' HE3' ' A' ' 17' ' ' LYS . 4.2 pt-20 -63.42 -37.17 86.24 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.756 0.823 . . . . 73.52 108.782 178.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.4 ttpt -62.01 -42.87 99.62 Favored 'General case' 0 C--N 1.362 1.149 0 CA-C-N 114.726 -1.125 . . . . 74.35 109.192 178.404 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' A' ' 12' ' ' GLU . 95.3 mt -66.45 -30.75 71.17 Favored 'General case' 0 C--N 1.358 0.953 0 O-C-N 124.138 0.899 . . . . 51.31 112.024 -177.497 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.484 ' HA ' HD23 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -73.59 -32.83 64.32 Favored 'General case' 0 N--CA 1.49 1.569 0 CA-C-N 117.869 0.304 . . . . 63.12 111.347 172.832 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.5 -52.43 21.99 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 110.07 -0.344 . . . . 54.21 110.07 -177.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -68.01 -32.69 73.25 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.839 0.856 . . . . 74.31 112.05 -178.237 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.484 HD23 ' HA ' ' A' ' 17' ' ' LYS . 0.8 OUTLIER -65.39 -42.1 93.0 Favored 'General case' 0 C--N 1.367 1.351 0 N-CA-C 108.718 -0.845 . . . . 74.12 108.718 176.389 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.556 ' O ' ' HG3' ' A' ' 25' ' ' MET . 61.8 t60 -58.26 -47.83 82.35 Favored 'General case' 0 C--N 1.359 0.991 0 O-C-N 124.489 1.118 . . . . 72.4 109.475 -179.816 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -56.4 -51.26 68.99 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 124.317 1.011 . . . . 71.14 111.384 176.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.588 HG23 HD22 ' B' ' 127' ' ' LEU . 18.5 m -64.03 -29.83 70.94 Favored 'General case' 0 CA--C 1.549 0.939 0 O-C-N 124.272 0.983 . . . . 71.22 111.045 -177.561 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.519 ' ND2' HG21 ' B' ' 123' ' ' THR . 1.0 OUTLIER -70.96 -50.55 33.25 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.24 0.616 . . . . 74.22 110.252 176.686 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.556 ' HG3' ' O ' ' A' ' 21' ' ' HIS . 48.6 mtm -53.04 -58.26 7.59 Favored 'General case' 0 C--N 1.36 1.031 0 C-N-CA 123.902 0.881 . . . . 71.54 111.527 177.539 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.43 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 13.4 pt-20 -64.27 -36.18 83.27 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 124.129 0.893 . . . . 73.43 111.433 -173.68 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.749 HD11 ' HB2' ' B' ' 126' ' ' GLU . 6.3 tt -60.33 -40.78 91.86 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.779 0.832 . . . . 75.32 110.762 172.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.48 HG23 ' HE2' ' A' ' 31' ' ' LYS . 81.6 m -67.11 -39.51 86.69 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.451 0.701 . . . . 74.54 110.765 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.404 ' O ' ' HG3' ' A' ' 33' ' ' GLN . 22.3 m-20 -61.21 -44.49 97.19 Favored 'General case' 0 C--O 1.25 1.095 0 O-C-N 123.695 0.622 . . . . 54.31 109.943 173.815 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' ' 26' ' ' GLU . 7.1 mt -58.55 -60.94 3.02 Favored 'General case' 0 C--N 1.366 1.287 0 O-C-N 124.735 1.272 . . . . 64.35 110.071 -178.552 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.48 ' HE2' HG23 ' A' ' 28' ' ' THR . 0.0 OUTLIER -62.71 -29.36 70.61 Favored 'General case' 0 N--CA 1.481 1.121 0 O-C-N 123.937 0.773 . . . . 62.32 112.753 -174.873 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 42.7 tp -62.71 -69.08 0.28 Allowed 'General case' 0 C--N 1.353 0.723 0 O-C-N 123.693 0.62 . . . . 70.4 109.78 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.41 ' H ' ' HG3' ' A' ' 33' ' ' GLN . 2.6 pp0? -69.97 -21.85 63.21 Favored 'General case' 0 CA--C 1.554 1.099 0 N-CA-C 111.731 0.271 . . . . 74.54 111.731 -177.367 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' B' ' 134' ' ' LEU . 0.3 OUTLIER -52.32 -68.69 0.15 Allowed 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 123.895 0.878 . . . . 73.31 110.222 175.376 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.92 -23.16 59.5 Favored 'General case' 0 C--N 1.361 1.075 0 O-C-N 125.632 1.832 . . . . 74.24 111.493 -173.043 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 58.6 mtpt -62.13 -13.73 29.86 Favored 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 122.438 0.295 . . . . 75.31 110.834 165.372 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 82.51 63.53 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.84 1.656 . . . . 74.52 108.472 167.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 9.1 t -60.92 163.98 5.31 Favored 'General case' 0 CA--C 1.555 1.141 0 CA-C-N 112.189 -2.278 . . . . 74.32 114.007 -175.034 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.33 -29.18 5.23 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.941 1.296 . . . . 62.42 110.904 -175.716 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -154.47 168.8 25.49 Favored 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 108.542 -0.91 . . . . 74.44 108.542 170.133 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.585 HE22 ' HB3' ' B' ' 134' ' ' LEU . 7.2 pt20 -147.62 -44.41 0.17 Allowed 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 109.453 -0.573 . . . . 74.21 109.453 -174.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 46.02 63.87 1.68 Allowed 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 124.87 1.268 . . . . 71.31 110.916 -178.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 41.0 mtm105 -64.4 -53.23 51.79 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 115.639 -0.71 . . . . 70.41 109.981 -178.307 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 60.0 t80 . . . . . 0 C--O 1.24 0.595 0 CA-C-N 115.438 -0.801 . . . . 74.13 109.441 178.057 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 . . . . . 0 N--CA 1.464 0.251 0 CA-C-O 121.72 0.771 . . . . 74.44 109.68 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 102' ' ' PHE . . . . . 0.599 ' HA ' HD23 ' B' ' 105' ' ' LEU . 47.0 m-85 -87.09 -31.17 20.62 Favored 'General case' 0 C--O 1.246 0.918 0 CA-C-N 114.648 -1.16 . . . . 64.31 111.289 -176.744 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.54 -42.04 87.79 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 108.791 -0.818 . . . . 74.43 108.791 174.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 104' ' ' LYS . . . . . 0.481 ' O ' ' HG2' ' B' ' 108' ' ' GLN . 0.0 OUTLIER -77.3 -25.89 51.75 Favored 'General case' 0 C--N 1.356 0.869 0 CA-C-O 118.132 -0.937 . . . . 55.23 110.578 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . 0.599 HD23 ' HA ' ' B' ' 102' ' ' PHE . 0.3 OUTLIER -59.33 -46.07 89.61 Favored 'General case' 0 C--N 1.372 1.562 0 N-CA-C 107.807 -1.182 . . . . 73.11 107.807 176.286 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 106' ' ' TYR . . . . . 0.413 ' CD1' HD11 ' A' ' 9' ' ' ILE . 33.5 t80 -61.86 -44.91 95.86 Favored 'General case' 0 C--N 1.363 1.184 0 CA-C-N 115.171 -0.922 . . . . 63.15 109.715 177.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 81.8 mm-40 -59.89 -44.72 94.05 Favored 'General case' 0 C--N 1.351 0.636 0 O-C-N 123.65 0.594 . . . . 73.53 112.12 -178.163 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 108' ' ' GLN . . . . . 0.481 ' HG2' ' O ' ' B' ' 104' ' ' LYS . 11.6 mm-40 -70.06 -52.65 22.2 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 123.108 0.255 . . . . 73.11 111.37 -172.569 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 10.4 mt -71.84 -36.17 57.38 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.857 0 O-C-N 123.628 0.58 . . . . 71.34 110.543 -173.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.63 -34.64 69.98 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 122.894 0.478 . . . . 74.2 109.957 178.115 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -62.37 -43.05 99.73 Favored 'General case' 0 N--CA 1.486 1.325 0 CA-C-O 120.902 0.382 . . . . 35.24 110.157 173.298 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -64.35 -42.4 96.25 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 115.083 -0.962 . . . . 71.5 109.515 177.018 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -59.92 -38.97 83.88 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 125.374 1.47 . . . . 55.45 111.206 178.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -62.96 -48.89 76.91 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.771 1.228 . . . . 75.24 110.415 175.144 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 11.6 ttpt -62.26 -39.83 94.2 Favored 'General case' 0 C--N 1.349 0.544 0 CA-C-N 115.186 -0.915 . . . . 74.31 110.289 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 116' ' ' LEU . . . . . 0.455 HD13 ' HB2' ' A' ' 16' ' ' LEU . 81.8 mt -66.01 -33.85 76.76 Favored 'General case' 0 C--N 1.349 0.556 0 CA-C-N 114.83 -1.077 . . . . 74.32 110.57 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 16.8 ttpt -69.88 -40.64 75.55 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.411 0.685 . . . . 72.33 110.534 177.491 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -70.77 -44.23 67.12 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.133 0.573 . . . . 73.25 110.888 -176.66 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -69.93 -40.96 75.2 Favored 'General case' 0 C--N 1.348 0.538 0 CA-C-N 115.565 -0.743 . . . . 74.33 110.804 -178.5 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 1.4 pp -67.25 -39.43 86.15 Favored 'General case' 0 C--N 1.362 1.133 0 N-CA-C 109.405 -0.591 . . . . 63.42 109.405 -178.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 121' ' ' HIS . . . . . 0.49 ' O ' ' HG2' ' B' ' 125' ' ' MET . 65.4 t60 -58.49 -43.44 89.0 Favored 'General case' 0 C--N 1.356 0.885 0 O-C-N 123.863 0.727 . . . . 72.41 109.615 178.733 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 122' ' ' ASP . . . . . 0.52 ' O ' ' HG3' ' B' ' 126' ' ' GLU . 26.6 t70 -59.9 -51.1 71.14 Favored 'General case' 0 C--N 1.355 0.826 0 O-C-N 124.371 1.045 . . . . 73.53 110.459 176.382 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 123' ' ' THR . . . . . 0.532 HG22 HG22 ' A' ' 23' ' ' THR . 5.0 m -63.43 -28.87 70.27 Favored 'General case' 0 CA--C 1.557 1.227 0 C-N-CA 123.72 0.808 . . . . 72.14 111.054 -177.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 124' ' ' ASN . . . . . 0.525 ' ND2' HG21 ' A' ' 23' ' ' THR . 0.9 OUTLIER -76.98 -35.47 57.17 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.724 0.81 . . . . 60.44 110.458 177.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 125' ' ' MET . . . . . 0.49 ' HG2' ' O ' ' B' ' 121' ' ' HIS . 85.1 mmm -61.94 -40.87 97.01 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.234 0.614 . . . . 75.44 110.947 174.044 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 126' ' ' GLU . . . . . 0.749 ' HB2' HD11 ' A' ' 27' ' ' LEU . 15.9 mt-10 -72.74 -33.38 66.34 Favored 'General case' 0 C--O 1.213 -0.839 0 O-C-N 123.822 0.701 . . . . 71.43 110.077 178.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 127' ' ' LEU . . . . . 0.588 HD22 HG23 ' A' ' 23' ' ' THR . 38.6 tp -64.83 -37.06 86.35 Favored 'General case' 0 CA--C 1.555 1.151 0 C-N-CA 122.977 0.511 . . . . 74.03 110.039 177.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 128' ' ' THR . . . . . . . . . . . . . 28.3 m -71.91 -39.48 69.5 Favored 'General case' 0 CA--C 1.561 1.379 0 C-N-CA 124.214 1.006 . . . . 73.4 110.529 175.091 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -62.93 -45.85 90.54 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.595 1.158 . . . . 54.41 110.649 178.091 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 130' ' ' LEU . . . . . 0.471 HD13 ' NE2' ' B' ' 133' ' ' GLN . 1.7 mm? -68.24 -44.52 75.5 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.063 -0.972 . . . . 70.3 110.751 -175.695 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 131' ' ' LYS . . . . . 0.475 ' HA ' HD12 ' B' ' 134' ' ' LEU . 0.0 OUTLIER -65.46 -29.86 70.58 Favored 'General case' 0 C--N 1.357 0.933 0 O-C-N 123.784 0.677 . . . . 74.21 110.628 -179.6 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 5.4 tt -64.3 -53.63 45.85 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.795 0.838 . . . . 71.12 110.715 174.177 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 133' ' ' GLN . . . . . 0.471 ' NE2' HD13 ' B' ' 130' ' ' LEU . 43.2 mt-30 -57.91 -37.24 73.67 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 115.579 -0.737 . . . . 71.55 109.827 177.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 134' ' ' LEU . . . . . 0.585 ' HB3' HE22 ' A' ' 41' ' ' GLN . 19.6 mt -65.18 -50.76 64.68 Favored 'General case' 0 C--O 1.217 -0.624 0 CA-C-N 114.509 -1.223 . . . . 75.31 111.951 -178.088 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 135' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -66.97 -25.62 66.42 Favored 'General case' 0 N--CA 1.484 1.226 0 O-C-N 123.452 0.47 . . . . 74.53 111.134 -175.628 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -78.6 -36.34 44.42 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 123.628 0.58 . . . . 73.43 111.359 171.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -68.06 -35.21 77.85 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.262 0.625 . . . . 72.01 110.608 176.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 138' ' ' THR . . . . . 0.518 HG21 HE21 ' A' ' 41' ' ' GLN . 53.1 p -89.02 143.75 26.63 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-N 115.423 -0.808 . . . . 73.43 110.598 -177.796 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 3.8 pp0? -78.05 -18.58 55.63 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 114.934 -1.03 . . . . 74.42 108.995 170.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 140' ' ' ARG . . . . . . . . . . . . . 24.5 tpt180 -85.87 140.64 30.23 Favored 'General case' 0 CA--C 1.56 1.341 0 CA-C-N 115.168 -0.923 . . . . 74.34 110.86 -179.484 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 141' ' ' GLN . . . . . 0.492 ' HG2' ' N ' ' B' ' 142' ' ' GLU . 0.0 OUTLIER 75.05 -59.47 0.54 Allowed 'General case' 0 N--CA 1.491 1.582 0 C-N-CA 127.059 2.143 . . . . 73.15 112.495 176.412 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 142' ' ' GLU . . . . . 0.492 ' N ' ' HG2' ' B' ' 141' ' ' GLN . 37.8 tt0 46.44 85.22 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.711 0 C-N-CA 125.185 1.394 . . . . 51.11 112.664 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 15.1 mmm180 -81.52 -36.28 29.37 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 123.25 0.62 . . . . 74.32 111.848 -173.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 144' ' ' PHE . . . . . . . . . . . . . 78.1 t80 . . . . . 0 C--O 1.252 1.224 0 CA-C-N 115.614 -0.721 . . . . 64.5 109.247 169.854 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.407 ' O ' ' HG3' ' A' ' 4' ' ' LYS . 3.3 p-10 . . . . . 0 N--CA 1.487 1.415 0 CA-C-O 120.82 0.343 . . . . 71.41 111.124 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.481 ' HD1' HD22 ' A' ' 5' ' ' LEU . 41.4 m-85 -54.89 -13.82 1.22 Allowed 'General case' 0 CA--C 1.561 1.369 0 N-CA-C 115.64 1.718 . . . . 75.54 115.64 -179.481 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.39 -39.3 85.58 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-N 118.794 0.724 . . . . 75.3 109.998 174.518 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.407 ' HG3' ' O ' ' A' ' 1' ' ' ASP . 0.0 OUTLIER -74.22 -27.8 60.96 Favored 'General case' 0 C--N 1.358 0.977 0 CA-C-O 119.103 -0.475 . . . . 74.32 110.09 177.83 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.481 HD22 ' HD1' ' A' ' 2' ' ' PHE . 25.3 tp -53.87 -46.2 71.24 Favored 'General case' 0 N--CA 1.487 1.382 0 CA-C-O 121.227 0.537 . . . . 72.22 110.093 177.587 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 21.9 t80 -54.63 -55.06 33.54 Favored 'General case' 0 C--N 1.35 0.592 0 CA-C-N 113.845 -1.525 . . . . 54.44 109.475 173.419 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -57.5 -31.32 65.9 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.754 1.222 . . . . 42.11 113.335 -177.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -66.49 -64.9 0.76 Allowed 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 122.963 0.505 . . . . 74.53 111.579 -178.472 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.493 HD11 ' CD2' ' B' ' 106' ' ' TYR . 17.8 mt -62.47 -40.17 87.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 CA-C-O 119.598 -0.239 . . . . 73.5 110.667 178.746 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.04 -28.32 68.77 Favored 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 123.728 0.811 . . . . 74.51 110.698 -177.247 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.47 -49.35 77.16 Favored 'General case' 0 N--CA 1.482 1.136 0 N-CA-C 109.584 -0.524 . . . . 74.42 109.584 173.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.478 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 3.1 tp10 -68.48 -37.65 80.33 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 114.932 -1.031 . . . . 74.52 111.015 177.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -71.73 -37.16 70.63 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 124.559 1.144 . . . . 70.3 110.333 -173.062 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.486 ' HA ' ' HE2' ' A' ' 17' ' ' LYS . 2.6 tt0 -64.87 -47.18 78.82 Favored 'General case' 0 C--O 1.243 0.718 0 C-N-CA 124.482 1.113 . . . . 73.1 109.982 174.28 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.7 ttpt -54.07 -42.52 69.38 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 124.185 0.928 . . . . 71.53 110.043 172.395 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' ' 12' ' ' GLU . 89.4 mt -65.37 -33.2 75.4 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.731 0.812 . . . . 73.21 111.333 -177.531 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.486 ' HE2' ' HA ' ' A' ' 14' ' ' GLU . 56.8 mtmt -69.54 -34.94 74.94 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 122.804 0.442 . . . . 71.15 110.693 174.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.401 ' O ' ' HB3' ' A' ' 21' ' ' HIS . . . -71.62 -55.0 8.58 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 115.896 -0.593 . . . . 62.14 110.417 -178.096 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -66.27 -32.78 74.39 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.608 0.763 . . . . 75.02 112.626 -176.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.59 -43.53 80.3 Favored 'General case' 0 C--N 1.357 0.919 0 N-CA-C 108.535 -0.913 . . . . 73.51 108.535 175.332 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.558 ' O ' ' HG3' ' A' ' 25' ' ' MET . 63.5 t60 -51.92 -55.91 17.39 Favored 'General case' 0 C--N 1.359 1.02 0 O-C-N 124.179 0.924 . . . . 72.31 109.627 178.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -60.28 -47.02 87.77 Favored 'General case' 0 N--CA 1.478 0.937 0 O-C-N 124.092 0.87 . . . . 75.35 112.241 -179.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.577 HG22 HG22 ' B' ' 123' ' ' THR . 20.4 m -67.45 -27.73 67.28 Favored 'General case' 0 N--CA 1.479 0.979 0 O-C-N 123.511 0.507 . . . . 62.23 111.231 -177.725 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.495 ' ND2' HG21 ' B' ' 123' ' ' THR . 1.0 OUTLIER -74.14 -45.7 47.14 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.459 0.703 . . . . 62.31 109.967 177.729 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.558 ' HG3' ' O ' ' A' ' 21' ' ' HIS . 46.0 mtm -54.89 -58.62 6.86 Favored 'General case' 0 C--N 1.363 1.168 0 C-N-CA 123.293 0.637 . . . . 75.32 110.683 173.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.456 ' HG2' ' HA ' ' A' ' 23' ' ' THR . 11.3 pt-20 -70.86 -18.64 62.69 Favored 'General case' 0 C--O 1.202 -1.443 0 CA-C-N 115.402 -0.817 . . . . 74.33 111.568 -173.112 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.493 HD11 ' HB2' ' B' ' 126' ' ' GLU . 7.1 tt -67.43 -52.34 40.73 Favored 'General case' 0 C--N 1.356 0.877 0 CA-C-N 118.773 0.715 . . . . 75.14 109.117 168.646 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 29.0 m -62.0 -41.16 97.76 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 123.3 0.64 . . . . 71.55 110.514 -177.149 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.506 ' O ' ' HG2' ' A' ' 33' ' ' GLN . 3.4 m-20 -61.64 -52.88 62.54 Favored 'General case' 0 C--N 1.349 0.547 0 C-N-CA 124.049 0.94 . . . . 72.34 110.511 172.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.467 HD21 ' HG3' ' A' ' 41' ' ' GLN . 0.9 OUTLIER -56.29 -45.04 80.36 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 124.075 0.95 . . . . 73.32 111.862 -175.37 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.441 ' HE2' ' HB2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -70.97 -37.46 72.76 Favored 'General case' 0 C--O 1.242 0.667 0 O-C-N 123.874 0.734 . . . . 73.4 110.383 -177.932 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.7 tp -61.74 -58.69 7.04 Favored 'General case' 0 C--N 1.352 0.679 0 CA-C-N 115.387 -0.824 . . . . 74.25 109.738 -178.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.624 HE22 ' HB3' ' A' ' 41' ' ' GLN . 6.2 pt20 -65.66 -33.54 76.14 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 123.464 0.706 . . . . 71.14 111.044 -178.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.498 HD23 HD22 ' B' ' 134' ' ' LEU . 1.6 tm? -52.17 -61.48 2.24 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.494 0.717 . . . . 65.11 109.416 -179.053 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -70.22 -23.78 62.99 Favored 'General case' 0 CA--C 1.548 0.883 0 O-C-N 126.086 2.116 . . . . 63.11 111.95 -176.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -66.7 -13.74 61.66 Favored 'General case' 0 N--CA 1.492 1.667 0 C-N-CA 123.031 0.533 . . . . 72.53 110.576 167.415 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 82.15 60.6 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 126.585 1.954 . . . . 74.32 108.379 175.069 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 15.0 t -79.12 165.08 23.72 Favored 'General case' 0 N--CA 1.494 1.772 0 CA-C-N 114.151 -1.386 . . . . 74.22 111.821 -175.393 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -105.66 -28.74 10.54 Favored 'General case' 0 CA--C 1.55 0.964 0 CA-C-N 115.698 -0.683 . . . . 72.33 111.94 177.484 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 31.5 ttt180 -165.28 170.02 15.23 Favored 'General case' 0 N--CA 1.491 1.597 0 CA-C-N 118.402 0.546 . . . . 72.31 111.3 -176.542 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.624 ' HB3' HE22 ' A' ' 33' ' ' GLN . 3.3 pm0 -132.07 175.34 9.32 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.494 1.117 . . . . 70.11 110.161 171.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -123.69 100.91 7.01 Favored 'General case' 0 C--O 1.242 0.666 0 C-N-CA 124.265 1.026 . . . . 75.43 108.488 175.359 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.825 HH12 HD11 ' B' ' 127' ' ' LEU . 40.8 mmt180 -69.21 -62.73 1.26 Allowed 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 115.044 -0.98 . . . . 74.3 109.65 178.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 85.9 t80 . . . . . 0 N--CA 1.479 0.985 0 C-N-CA 123.62 0.768 . . . . 71.24 109.293 176.484 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 . . . . . 0 CA--C 1.535 0.371 0 N-CA-C 109.494 -0.558 . . . . 74.42 109.494 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 102' ' ' PHE . . . . . 0.479 ' O ' ' HG ' ' B' ' 105' ' ' LEU . 95.0 m-85 -93.71 -8.33 41.13 Favored 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 124.263 1.025 . . . . 75.13 111.045 177.168 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.38 -34.71 69.14 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-O 121.859 0.838 . . . . 65.45 110.219 177.182 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 104' ' ' LYS . . . . . 0.405 ' O ' ' HG2' ' B' ' 108' ' ' GLN . 0.1 OUTLIER -73.84 -31.64 63.3 Favored 'General case' 0 C--O 1.214 -0.792 0 CA-C-N 114.389 -1.278 . . . . 72.21 109.874 -178.061 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' B' ' 102' ' ' PHE . 0.5 OUTLIER -61.78 -41.04 97.21 Favored 'General case' 0 C--N 1.384 2.076 0 N-CA-C 108.287 -1.005 . . . . 64.0 108.287 176.748 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 106' ' ' TYR . . . . . 0.493 ' CD2' HD11 ' A' ' 9' ' ' ILE . 37.9 t80 -54.98 -49.36 71.64 Favored 'General case' 0 C--N 1.369 1.426 0 O-C-N 124.309 1.006 . . . . 72.52 109.651 176.017 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -64.52 -35.07 79.77 Favored 'General case' 0 CA--C 1.552 1.031 0 N-CA-C 113.157 0.799 . . . . 71.42 113.157 177.119 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 108' ' ' GLN . . . . . 0.405 ' HG2' ' O ' ' B' ' 104' ' ' LYS . 10.2 mm-40 -65.42 -57.67 7.75 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-N 118.691 0.678 . . . . 75.41 110.86 -178.246 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 15.2 mt -70.44 -37.27 69.86 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.703 0 CA-C-N 115.586 -0.733 . . . . 70.12 111.076 -174.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 110' ' ' LEU . . . . . 0.458 ' HA ' ' HB3' ' B' ' 113' ' ' ASN . 1.0 OUTLIER -71.25 -32.3 68.57 Favored 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 122.914 0.485 . . . . 74.24 110.707 179.568 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -65.04 -43.43 92.35 Favored 'General case' 0 N--CA 1.486 1.332 0 N-CA-C 109.805 -0.442 . . . . 71.13 109.805 174.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 112' ' ' GLU . . . . . 0.475 ' O ' ' HG ' ' B' ' 116' ' ' LEU . 52.9 tp10 -64.78 -40.4 95.2 Favored 'General case' 0 C--O 1.204 -1.324 0 CA-C-N 114.939 -1.028 . . . . 73.33 110.239 174.177 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 113' ' ' ASN . . . . . 0.458 ' HB3' ' HA ' ' B' ' 110' ' ' LEU . 23.5 t-20 -65.05 -39.84 93.87 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 125.012 1.325 . . . . 75.53 111.003 -177.525 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -67.89 -45.98 72.95 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.258 1.023 . . . . 64.53 110.013 176.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 28.7 ttpt -57.85 -44.86 86.83 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.638 -0.71 . . . . 72.51 110.025 175.372 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 116' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' B' ' 112' ' ' GLU . 76.1 mt -67.04 -29.0 68.68 Favored 'General case' 0 C--N 1.352 0.705 0 O-C-N 123.976 0.797 . . . . 73.43 110.127 -177.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.33 -44.17 79.76 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.931 0.892 . . . . 60.3 109.843 175.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -70.96 -45.93 63.25 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 115.097 -0.956 . . . . 72.23 111.288 -175.389 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? -69.03 -41.05 78.22 Favored 'General case' 0 C--N 1.351 0.644 0 C-N-CA 123.456 0.702 . . . . 74.24 111.278 -176.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.83 -41.14 92.16 Favored 'General case' 0 C--N 1.362 1.122 0 N-CA-C 109.674 -0.491 . . . . 64.22 109.674 179.466 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 22.7 t-160 -59.71 -45.93 90.63 Favored 'General case' 0 C--N 1.357 0.907 0 O-C-N 124.011 0.82 . . . . 71.4 108.911 179.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 122' ' ' ASP . . . . . 0.543 ' O ' ' HG3' ' B' ' 126' ' ' GLU . 16.0 t70 -59.23 -47.64 84.58 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 124.407 1.067 . . . . 65.14 110.077 176.459 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 123' ' ' THR . . . . . 0.577 HG22 HG22 ' A' ' 23' ' ' THR . 26.8 m -61.58 -35.84 78.97 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 124.381 1.072 . . . . 72.54 111.329 -177.777 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 124' ' ' ASN . . . . . 0.5 ' ND2' HG21 ' A' ' 23' ' ' THR . 1.6 m-80 -72.92 -34.2 66.44 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.266 0.626 . . . . 71.21 110.521 177.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 125' ' ' MET . . . . . . . . . . . . . 14.5 mmt -66.91 -41.72 86.61 Favored 'General case' 0 C--N 1.351 0.647 0 O-C-N 123.463 0.477 . . . . 51.34 110.639 176.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 126' ' ' GLU . . . . . 0.543 ' HG3' ' O ' ' B' ' 122' ' ' ASP . 19.6 mt-10 -62.72 -41.32 99.1 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 109.088 -0.708 . . . . 62.55 109.088 176.441 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 127' ' ' LEU . . . . . 0.825 HD11 HH12 ' A' ' 43' ' ' ARG . 29.3 tp -67.69 -27.25 66.67 Favored 'General case' 0 CA--C 1.561 1.389 0 CA-C-N 114.965 -1.016 . . . . 71.44 111.078 176.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 128' ' ' THR . . . . . . . . . . . . . 91.7 m -68.43 -39.38 81.58 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 123.612 0.765 . . . . 65.21 109.992 174.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -57.65 -50.71 72.28 Favored 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 109.435 -0.58 . . . . 61.13 109.435 170.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 130' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' B' ' 126' ' ' GLU . 80.4 mt -62.28 -37.51 85.77 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.365 0.666 . . . . 74.45 112.47 -173.186 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 131' ' ' LYS . . . . . 0.493 ' NZ ' ' HB3' ' B' ' 144' ' ' PHE . 0.0 OUTLIER -80.46 -25.0 39.14 Favored 'General case' 0 C--N 1.355 0.832 0 O-C-N 123.717 0.636 . . . . 70.41 111.401 -179.773 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 132' ' ' LEU . . . . . 0.431 ' O ' ' HG3' ' B' ' 136' ' ' LYS . 57.1 tp -68.62 -54.05 18.84 Favored 'General case' 0 N--CA 1.481 1.08 0 N-CA-C 109.085 -0.709 . . . . 62.3 109.085 173.165 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.84 -29.39 70.14 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.835 0.854 . . . . 72.23 111.24 175.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 134' ' ' LEU . . . . . 0.498 HD22 HD23 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -61.12 -56.78 16.88 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.757 0.823 . . . . 72.12 109.268 178.466 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 135' ' ' GLU . . . . . 0.476 ' HB2' ' HA ' ' B' ' 142' ' ' GLU . 10.6 pt-20 -68.05 -21.54 65.0 Favored 'General case' 0 CA--C 1.546 0.811 0 O-C-N 124.101 0.876 . . . . 71.24 112.074 -177.735 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 136' ' ' LYS . . . . . 0.431 ' HG3' ' O ' ' B' ' 132' ' ' LEU . 8.6 mtpm? -72.86 -35.22 67.16 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.127 0.571 . . . . 62.11 110.559 171.434 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -75.43 -42.38 53.62 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.441 0.696 . . . . 64.41 111.877 -177.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 138' ' ' THR . . . . . 0.442 HG22 ' O ' ' B' ' 134' ' ' LEU . 12.2 t -99.3 171.52 7.93 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 114.055 1.131 . . . . 70.35 114.055 -164.116 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -89.12 -17.4 29.3 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 125.419 1.488 . . . . 72.31 110.731 170.085 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 140' ' ' ARG . . . . . . . . . . . . . 21.2 tpp180 -64.62 171.74 3.12 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 124.736 1.214 . . . . 70.33 109.533 174.489 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -38.76 141.38 0.28 Allowed 'General case' 0 N--CA 1.496 1.827 0 C-N-CA 124.991 1.316 . . . . 74.44 114.315 -168.064 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 142' ' ' GLU . . . . . 0.476 ' HA ' ' HB2' ' B' ' 135' ' ' GLU . 14.3 pt-20 -129.3 91.55 3.2 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 107.32 -1.363 . . . . 71.51 107.32 175.03 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 48.5 ttt180 -113.43 -48.17 2.96 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 114.352 -1.294 . . . . 74.11 111.913 -161.543 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 144' ' ' PHE . . . . . 0.493 ' HB3' ' NZ ' ' B' ' 131' ' ' LYS . 61.7 t80 . . . . . 0 CA--C 1.554 1.123 0 CA-C-O 118.45 -0.786 . . . . 75.43 109.494 -169.251 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 . . . . . 0 N--CA 1.481 1.111 0 N-CA-C 112.366 0.506 . . . . 75.24 112.366 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -55.75 -54.46 44.06 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.855 0.862 . . . . 74.2 113.298 -174.191 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.69 -40.63 84.17 Favored 'General case' 0 N--CA 1.485 1.294 0 CA-C-O 121.426 0.632 . . . . 74.1 110.886 -174.495 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.4 ' O ' ' HG2' ' A' ' 8' ' ' GLN . 0.1 OUTLIER -83.8 -33.05 25.03 Favored 'General case' 0 C--O 1.21 -1.022 0 CA-C-N 115.256 -0.884 . . . . 73.34 110.478 -173.611 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.429 HD21 ' HD1' ' B' ' 106' ' ' TYR . 22.9 tp -66.54 -35.48 80.34 Favored 'General case' 0 N--CA 1.49 1.575 0 N-CA-C 109.091 -0.707 . . . . 71.13 109.091 179.411 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.527 ' HA ' HD11 ' B' ' 105' ' ' LEU . 25.8 t80 -55.88 -43.46 77.21 Favored 'General case' 0 C--O 1.215 -0.745 0 CA-C-N 114.248 -1.342 . . . . 73.21 109.301 172.692 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -69.85 -39.73 76.22 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 124.143 0.902 . . . . 72.33 112.863 175.224 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.4 ' HG2' ' O ' ' A' ' 4' ' ' LYS . 10.9 mm-40 -62.93 -61.5 2.35 Favored 'General case' 0 N--CA 1.491 1.614 0 CA-C-N 118.306 0.503 . . . . 70.54 111.262 -173.208 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.424 HD11 ' HD1' ' B' ' 106' ' ' TYR . 5.0 mt -58.36 -49.6 81.45 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.998 0 O-C-N 123.752 0.657 . . . . 73.33 111.235 177.588 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.582 ' HA ' ' HB3' ' A' ' 13' ' ' ASN . 14.4 tp -68.21 -23.41 64.82 Favored 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 113.062 0.764 . . . . 73.43 113.062 -175.285 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.18 -46.43 80.82 Favored 'General case' 0 N--CA 1.483 1.204 0 CA-C-O 121.252 0.549 . . . . 45.42 109.684 174.502 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.501 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 50.7 tp10 -66.43 -43.58 85.26 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 114.83 -1.077 . . . . 72.35 109.973 174.307 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.582 ' HB3' ' HA ' ' A' ' 10' ' ' LEU . 23.5 t-20 -61.31 -41.39 96.93 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 124.849 1.26 . . . . 73.23 111.859 -176.538 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -66.34 -48.14 71.2 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.208 1.003 . . . . 63.13 109.589 177.47 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 25.9 ttpt -55.37 -43.8 75.43 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 115.15 -0.932 . . . . 74.54 110.274 176.486 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 12' ' ' GLU . 82.7 mt -66.85 -32.24 73.38 Favored 'General case' 0 C--N 1.354 0.801 0 CA-C-N 115.111 -0.95 . . . . 62.12 110.821 -178.715 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.93 -37.71 86.74 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.57 0.748 . . . . 74.34 110.145 176.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.56 -55.11 7.42 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 115.001 -1.0 . . . . 65.35 110.819 -176.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -66.18 -33.96 76.94 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 115.525 -0.762 . . . . 72.01 112.215 -177.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.447 ' HB3' HE22 ' B' ' 119' ' ' GLN . 1.3 pp -66.31 -46.47 76.8 Favored 'General case' 0 N--CA 1.483 1.175 0 N-CA-C 109.482 -0.562 . . . . 73.41 109.482 176.568 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.415 ' O ' ' HG2' ' A' ' 25' ' ' MET . 27.5 t-80 -58.98 -41.48 87.67 Favored 'General case' 0 C--N 1.355 0.825 0 O-C-N 124.333 1.021 . . . . 72.15 108.994 -177.766 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -66.6 -42.12 87.4 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 114.671 -1.149 . . . . 61.02 111.544 -179.38 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.476 HG21 ' ND2' ' B' ' 124' ' ' ASN . 6.9 m -71.28 -31.96 68.11 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 122.824 0.45 . . . . 70.11 110.567 179.777 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.557 ' ND2' HG21 ' B' ' 123' ' ' THR . 1.1 m-80 -73.94 -39.49 63.73 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.153 0.581 . . . . 75.13 110.089 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.415 ' HG2' ' O ' ' A' ' 21' ' ' HIS . 26.5 mmt -62.23 -52.59 63.15 Favored 'General case' 0 C--N 1.35 0.607 0 C-N-CA 122.688 0.395 . . . . 72.45 110.779 177.386 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -70.46 -21.19 62.82 Favored 'General case' 0 C--O 1.214 -0.781 0 CA-C-O 119.256 -0.402 . . . . 73.24 111.658 -179.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.1 tt -64.23 -44.03 93.14 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 109.255 -0.646 . . . . 71.11 109.255 169.075 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 25.6 m -62.13 -47.02 86.42 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.259 0.624 . . . . 64.55 110.526 178.548 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.53 ' O ' ' HG2' ' A' ' 33' ' ' GLN . 16.6 m-20 -59.1 -52.85 63.97 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 115.4 -0.818 . . . . 75.31 110.106 176.558 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.479 HD11 ' NE2' ' A' ' 41' ' ' GLN . 1.7 mm? -58.62 -50.38 74.06 Favored 'General case' 0 C--N 1.355 0.823 0 O-C-N 124.096 0.873 . . . . 73.2 111.392 -175.035 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.417 ' HE2' ' HB2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -66.82 -33.93 76.69 Favored 'General case' 0 N--CA 1.48 1.067 0 O-C-N 123.585 0.553 . . . . 71.34 111.335 -175.456 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.4 tt -63.86 -58.47 6.71 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.743 0.817 . . . . 61.44 110.184 -179.538 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.636 HE22 ' HB3' ' A' ' 41' ' ' GLN . 12.1 pt20 -66.21 -37.6 85.96 Favored 'General case' 0 C--O 1.251 1.169 0 CA-C-N 115.94 -0.573 . . . . 75.5 110.799 -178.238 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -51.65 -60.02 3.63 Favored 'General case' 0 C--N 1.351 0.648 0 C-N-CA 124.462 1.105 . . . . 75.53 109.689 -177.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -68.84 -24.89 64.42 Favored 'General case' 0 C--N 1.363 1.154 0 O-C-N 125.986 2.054 . . . . 71.45 112.33 -176.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 52.4 mtpt -68.27 -12.9 61.78 Favored 'General case' 0 N--CA 1.493 1.685 0 C-N-CA 122.336 0.255 . . . . 62.51 111.077 167.45 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 82.16 58.01 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 126.308 1.843 . . . . 74.12 108.486 174.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 3.7 t -84.76 179.5 7.33 Favored 'General case' 0 N--CA 1.496 1.846 0 CA-C-N 114.386 -1.279 . . . . 51.53 111.028 -176.168 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.664 ' HA ' HG21 ' B' ' 138' ' ' THR . 10.2 pt20 -112.43 -48.55 3.01 Favored 'General case' 0 C--O 1.239 0.539 0 C-N-CA 123.098 0.559 . . . . 74.03 112.009 178.176 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.619 ' HG3' ' HB3' ' B' ' 141' ' ' GLN . 63.5 ttt180 -143.31 144.49 32.12 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-O 121.202 0.525 . . . . 73.54 112.366 -171.024 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.636 ' HB3' HE22 ' A' ' 33' ' ' GLN . 2.1 pm0 -94.35 168.91 10.6 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.725 1.21 . . . . 65.11 109.356 168.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -108.61 -37.85 5.82 Favored 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 110.009 -0.367 . . . . 60.05 110.009 173.525 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 56.7 mtp180 59.87 -81.89 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 125.2 1.4 . . . . 63.53 111.418 -174.565 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 86.3 t80 . . . . . 0 N--CA 1.477 0.912 0 C-N-CA 124.193 0.997 . . . . 70.11 109.647 173.748 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 . . . . . 0 C--O 1.224 -0.245 0 CA-C-O 120.949 0.404 . . . . 74.12 110.283 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 102' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -74.23 -37.78 63.73 Favored 'General case' 0 C--O 1.243 0.757 0 C-N-CA 123.691 0.796 . . . . 70.01 111.695 -172.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 103' ' ' LYS . . . . . 0.434 ' H ' ' HD2' ' B' ' 103' ' ' LYS . 0.0 OUTLIER -66.49 -45.29 80.12 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-O 120.988 0.423 . . . . 73.21 109.95 179.327 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 104' ' ' LYS . . . . . 0.472 ' O ' ' HG2' ' B' ' 108' ' ' GLN . 0.0 OUTLIER -72.34 -33.99 67.71 Favored 'General case' 0 C--O 1.215 -0.724 0 CA-C-N 115.375 -0.83 . . . . 64.23 109.869 -176.587 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . 0.527 HD11 ' HA ' ' A' ' 6' ' ' TYR . 2.3 tp -53.54 -54.03 43.14 Favored 'General case' 0 C--O 1.252 1.231 0 C-N-CA 123.603 0.761 . . . . 72.41 109.653 175.761 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 106' ' ' TYR . . . . . 0.429 ' HD1' HD21 ' A' ' 5' ' ' LEU . 17.1 t80 -60.23 -40.21 89.37 Favored 'General case' 0 C--O 1.212 -0.871 0 O-C-N 124.335 1.022 . . . . 74.2 109.25 -177.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -63.76 -44.42 93.5 Favored 'General case' 0 C--O 1.219 -0.523 0 N-CA-C 112.321 0.489 . . . . 70.54 112.321 178.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 108' ' ' GLN . . . . . 0.472 ' HG2' ' O ' ' B' ' 104' ' ' LYS . 10.2 mm-40 -68.36 -66.2 0.6 Allowed 'General case' 0 N--CA 1.483 1.204 0 CA-C-N 117.957 0.344 . . . . 71.51 110.852 -173.63 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 16.8 mt -68.66 -37.79 78.07 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.157 0 CA-C-O 119.069 -0.491 . . . . 74.35 111.391 -172.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -71.48 -36.49 71.16 Favored 'General case' 0 N--CA 1.5 2.031 0 CA-C-N 118.481 0.582 . . . . 74.41 111.014 -178.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -61.62 -42.12 98.45 Favored 'General case' 0 N--CA 1.485 1.324 0 CA-C-N 118.241 0.473 . . . . 64.54 110.028 175.515 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 112' ' ' GLU . . . . . 0.526 ' O ' ' HG ' ' B' ' 116' ' ' LEU . 25.0 tp10 -67.47 -40.01 85.3 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 115.112 -0.949 . . . . 75.13 110.629 177.196 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -66.08 -36.53 83.44 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 124.691 1.196 . . . . 71.33 110.579 -176.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -65.41 -47.15 77.26 Favored 'General case' 0 C--O 1.24 0.578 0 CA-C-N 114.258 -1.337 . . . . 54.14 109.912 174.507 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 9.7 ttpt -57.78 -38.87 76.21 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 115.612 -0.722 . . . . 71.32 110.113 175.356 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 116' ' ' LEU . . . . . 0.526 ' HG ' ' O ' ' B' ' 112' ' ' GLU . 98.3 mt -67.87 -33.46 74.79 Favored 'General case' 0 C--N 1.359 1.001 0 C-N-CA 123.582 0.753 . . . . 74.33 111.326 179.655 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -64.45 -43.61 93.72 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 123.461 0.704 . . . . 65.41 110.669 176.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -75.57 -41.32 55.02 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 114.816 -1.084 . . . . 72.2 111.166 -174.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 119' ' ' GLN . . . . . 0.447 HE22 ' HB3' ' A' ' 20' ' ' LEU . 5.4 pp0? -69.98 -37.94 75.88 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 116.535 -0.302 . . . . 73.32 110.784 -178.683 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.13 -44.34 80.09 Favored 'General case' 0 C--N 1.363 1.175 0 N-CA-C 109.406 -0.59 . . . . 62.51 109.406 -178.64 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 121' ' ' HIS . . . . . 0.483 ' O ' ' HG3' ' B' ' 125' ' ' MET . 55.8 t60 -61.26 -44.24 97.56 Favored 'General case' 0 C--N 1.356 0.874 0 O-C-N 124.17 0.919 . . . . 73.23 109.256 -179.758 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 122' ' ' ASP . . . . . 0.454 ' O ' ' HG3' ' B' ' 126' ' ' GLU . 19.9 t70 -61.66 -44.35 97.14 Favored 'General case' 0 N--CA 1.477 0.921 0 O-C-N 124.466 1.104 . . . . 70.14 111.161 178.054 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 123' ' ' THR . . . . . 0.557 HG21 ' ND2' ' A' ' 24' ' ' ASN . 70.4 m -64.3 -35.35 80.56 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.758 0.823 . . . . 60.21 110.528 179.313 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 124' ' ' ASN . . . . . 0.476 ' ND2' HG21 ' A' ' 23' ' ' THR . 0.9 OUTLIER -67.09 -38.75 86.23 Favored 'General case' 0 C--O 1.22 -0.462 0 CA-C-N 115.428 -0.805 . . . . 65.43 109.7 176.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 125' ' ' MET . . . . . 0.483 ' HG3' ' O ' ' B' ' 121' ' ' HIS . 32.5 mtm -62.37 -37.78 87.05 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.04 0.536 . . . . 74.55 111.771 174.123 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 126' ' ' GLU . . . . . 0.454 ' HG3' ' O ' ' B' ' 122' ' ' ASP . 22.8 mt-10 -68.56 -40.59 80.53 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-O 121.143 0.497 . . . . 53.54 109.937 177.385 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 127' ' ' LEU . . . . . 0.417 HD22 HG23 ' A' ' 23' ' ' THR . 42.4 tp -65.79 -35.94 82.12 Favored 'General case' 0 CA--C 1.551 0.982 0 CA-C-N 115.52 -0.763 . . . . 72.13 110.65 177.083 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 128' ' ' THR . . . . . 0.4 ' HA ' ' HB3' ' B' ' 131' ' ' LYS . 15.0 m -76.4 -24.36 54.07 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.562 0.745 . . . . 33.44 110.225 177.614 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 129' ' ' ASP . . . . . 0.44 ' O ' ' HG3' ' B' ' 133' ' ' GLN . 16.0 t70 -68.25 -48.55 64.77 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.648 0.779 . . . . 74.14 109.995 174.057 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 130' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' B' ' 126' ' ' GLU . 63.4 mt -64.54 -36.67 84.97 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.833 0.853 . . . . 74.15 110.761 178.29 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 131' ' ' LYS . . . . . 0.4 ' HB3' ' HA ' ' B' ' 128' ' ' THR . 24.0 tptp -58.47 -47.66 83.32 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.311 1.444 . . . . 75.11 110.582 172.203 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 50.1 tp -68.25 -38.71 82.08 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.313 0.645 . . . . 75.33 110.915 -179.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 133' ' ' GLN . . . . . 0.44 ' HG3' ' O ' ' B' ' 129' ' ' ASP . 42.7 mt-30 -71.05 -27.79 63.9 Favored 'General case' 0 C--O 1.218 -0.577 0 CA-C-N 116.312 -0.404 . . . . 74.21 110.807 179.532 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 11.5 tp -80.78 -34.43 34.16 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.151 0.58 . . . . 65.24 111.209 -175.433 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 135' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -74.29 -27.92 60.95 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 116.262 -0.426 . . . . 70.32 110.001 174.179 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 58.3 mtpt -83.94 -24.47 30.68 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.05 0.54 . . . . 53.21 111.619 173.338 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -69.5 -37.16 77.09 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 109.292 -0.632 . . . . 73.04 109.292 175.336 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 138' ' ' THR . . . . . 0.664 HG21 ' HA ' ' A' ' 39' ' ' GLN . 1.3 t -158.14 -75.84 0.08 Allowed 'General case' 0 CA--C 1.551 0.993 0 CA-C-N 115.075 -0.966 . . . . 72.42 110.647 -178.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 139' ' ' GLN . . . . . 0.527 ' H ' HG23 ' B' ' 138' ' ' THR . 0.6 OUTLIER -162.38 -41.26 0.04 OUTLIER 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 122.891 0.476 . . . . 73.53 111.908 -172.823 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 140' ' ' ARG . . . . . 0.483 ' H ' ' NE2' ' B' ' 139' ' ' GLN . 4.6 tmt_? 66.44 155.87 0.1 Allowed 'General case' 0 CA--C 1.567 1.63 0 C-N-CA 124.553 1.141 . . . . 73.42 111.378 -176.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 141' ' ' GLN . . . . . 0.619 ' HB3' ' HG3' ' A' ' 40' ' ' ARG . 2.4 pt20 -58.43 152.11 18.57 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.314 0.645 . . . . 62.14 111.156 -178.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -109.23 25.61 11.6 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 109.164 -0.68 . . . . 71.11 109.164 -179.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 31.3 ttm180 -63.57 -52.92 58.92 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.922 1.289 . . . . 74.24 110.975 174.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 144' ' ' PHE . . . . . . . . . . . . . 56.5 t80 . . . . . 0 C--O 1.252 1.236 0 N-CA-C 107.831 -1.174 . . . . 73.44 107.831 174.024 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.556 ' O ' ' HG3' ' A' ' 4' ' ' LYS . 5.0 m-20 . . . . . 0 N--CA 1.476 0.848 0 CA-C-O 121.192 0.52 . . . . 64.13 110.344 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -66.99 -21.63 65.95 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 114.699 1.37 . . . . 75.45 114.699 -167.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.471 ' HD2' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -65.4 -41.15 93.93 Favored 'General case' 0 N--CA 1.482 1.149 0 CA-C-N 118.116 0.417 . . . . 72.53 110.022 176.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.556 ' HG3' ' O ' ' A' ' 1' ' ' ASP . 0.0 OUTLIER -78.37 -30.56 48.02 Favored 'General case' 0 C--O 1.21 -1.008 0 N-CA-C 109.073 -0.714 . . . . 71.31 109.073 179.391 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 43.3 tp -53.22 -45.27 68.61 Favored 'General case' 0 N--CA 1.493 1.721 0 C-N-CA 123.139 0.576 . . . . 73.42 110.208 175.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.451 ' HA ' HD13 ' B' ' 105' ' ' LEU . 20.0 t80 -54.53 -52.13 63.0 Favored 'General case' 0 C--N 1.349 0.574 0 O-C-N 124.835 1.334 . . . . 61.34 109.797 175.016 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -62.49 -34.19 76.36 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 124.567 1.167 . . . . 64.31 113.393 -177.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.44 ' HG2' ' O ' ' A' ' 4' ' ' LYS . 12.9 mm-40 -67.24 -56.9 7.91 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 122.804 0.442 . . . . 70.41 110.657 -176.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.423 ' H ' HG13 ' A' ' 9' ' ' ILE . 2.3 mt -60.41 -46.16 95.59 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.905 0 O-C-N 123.85 0.719 . . . . 73.23 110.769 177.198 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.04 -31.78 72.53 Favored 'General case' 0 N--CA 1.493 1.69 0 C-N-CA 124.497 1.119 . . . . 45.41 111.495 -173.801 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.11 -39.19 72.23 Favored 'General case' 0 N--CA 1.483 1.19 0 N-CA-C 109.756 -0.461 . . . . 71.25 109.756 176.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.442 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 30.6 tp10 -72.52 -29.63 63.77 Favored 'General case' 0 CA--C 1.547 0.865 0 CA-C-N 115.697 -0.683 . . . . 53.24 110.573 175.016 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -74.49 -40.56 61.74 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 124.475 1.11 . . . . 73.13 109.622 -178.08 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -62.23 -46.44 88.86 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.818 1.247 . . . . 54.43 109.458 171.642 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.3 ttpt -56.51 -46.03 80.75 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 124.284 0.99 . . . . 72.53 110.205 178.585 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.485 ' HB3' ' HB3' ' B' ' 116' ' ' LEU . 89.2 mt -66.96 -30.88 71.13 Favored 'General case' 0 N--CA 1.48 1.056 0 O-C-N 124.127 0.892 . . . . 72.01 111.596 -179.08 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.587 ' HA ' HD23 ' A' ' 20' ' ' LEU . 0.3 OUTLIER -69.96 -35.09 74.2 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 123.428 0.691 . . . . 74.41 109.618 174.398 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.64 -53.95 9.27 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.39 0.676 . . . . 73.5 110.313 -175.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -67.32 -27.84 67.49 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 123.701 0.801 . . . . 75.32 112.15 -178.43 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.587 HD23 ' HA ' ' A' ' 17' ' ' LYS . 0.4 OUTLIER -65.58 -44.71 85.82 Favored 'General case' 0 N--CA 1.481 1.107 0 N-CA-C 108.754 -0.832 . . . . 65.11 108.754 171.615 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -59.07 -38.41 79.37 Favored 'General case' 0 C--N 1.358 0.959 0 O-C-N 123.638 0.586 . . . . 71.52 110.446 -179.122 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -62.71 -54.82 33.52 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 123.764 0.665 . . . . 71.32 110.54 174.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.503 HG21 ' ND2' ' B' ' 124' ' ' ASN . 7.2 m -67.05 -28.52 68.28 Favored 'General case' 0 N--CA 1.482 1.131 0 O-C-N 123.643 0.59 . . . . 75.32 112.064 -175.096 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.506 ' ND2' HG21 ' B' ' 123' ' ' THR . 0.9 OUTLIER -75.18 -48.9 21.33 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.566 0.746 . . . . 54.22 110.212 -178.411 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 9.8 mmt -62.9 -44.56 95.76 Favored 'General case' 0 C--N 1.351 0.648 0 CA-C-N 115.757 -0.656 . . . . 74.21 111.123 178.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.446 ' HG2' ' HA ' ' A' ' 23' ' ' THR . 11.8 pt-20 -75.8 -28.03 58.19 Favored 'General case' 0 C--O 1.205 -1.242 0 CA-C-O 118.605 -0.712 . . . . 74.14 110.814 -176.727 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 63.4 tp -61.06 -48.65 80.77 Favored 'General case' 0 C--N 1.359 1.0 0 CA-C-N 118.461 0.573 . . . . 64.22 110.181 170.371 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 24.1 m -64.17 -38.9 92.7 Favored 'General case' 0 CA--C 1.546 0.819 0 O-C-N 123.818 0.699 . . . . 75.11 110.499 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.42 ' O ' ' HG2' ' A' ' 33' ' ' GLN . 16.7 t70 -65.65 -45.74 81.86 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.581 1.152 . . . . 65.31 110.498 177.236 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.5 HD12 ' NE2' ' A' ' 33' ' ' GLN . 15.0 tp -71.21 -36.01 71.74 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.35 1.06 . . . . 64.4 109.984 -173.283 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.49 -28.94 37.39 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.599 0.76 . . . . 72.4 109.965 -177.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.2 tt -65.97 -52.71 47.2 Favored 'General case' 0 C--N 1.345 0.386 0 C-N-CA 123.622 0.769 . . . . 62.11 109.017 178.121 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.5 ' NE2' HD12 ' A' ' 30' ' ' LEU . 6.3 pt20 -69.34 -32.62 71.83 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-N 115.969 -0.559 . . . . 73.13 110.683 178.42 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 19.7 tp -45.76 -63.39 0.98 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 123.981 0.801 . . . . 72.41 110.356 176.076 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -71.61 -28.64 63.93 Favored 'General case' 0 C--N 1.358 0.965 0 O-C-N 126.569 2.418 . . . . 74.34 111.899 -173.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 30.4 mtpp -64.47 -12.8 47.47 Favored 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 122.87 0.468 . . . . 72.22 111.051 167.455 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 82.24 62.09 0.02 OUTLIER 'General case' 0 C--N 1.356 0.869 0 C-N-CA 126.047 1.739 . . . . 72.04 108.837 173.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.422 HG21 HD11 ' B' ' 134' ' ' LEU . 13.2 t -68.05 -179.78 1.31 Allowed 'General case' 0 N--CA 1.484 1.247 0 CA-C-N 113.649 -1.614 . . . . 54.52 112.921 -173.006 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.478 ' HA ' ' OG1' ' B' ' 138' ' ' THR . 2.0 pt20 -119.37 -57.58 1.98 Allowed 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.097 0.959 . . . . 53.34 109.717 174.119 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.448 ' H ' ' HG3' ' A' ' 39' ' ' GLN . 32.4 ptt180 -121.68 -167.42 1.52 Allowed 'General case' 0 N--CA 1.476 0.829 0 CA-C-O 121.945 0.878 . . . . 75.31 110.762 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -136.85 159.41 41.95 Favored 'General case' 0 C--O 1.243 0.736 0 N-CA-C 106.733 -1.58 . . . . 71.55 106.733 159.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -133.33 33.79 3.56 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 108.492 -0.929 . . . . 74.12 108.492 -176.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 5.0 ttt85 -41.51 -51.97 3.76 Favored 'General case' 0 C--N 1.358 0.948 0 C-N-CA 126.71 2.004 . . . . 73.11 111.995 171.08 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 31.5 t80 . . . . . 0 N--CA 1.472 0.648 0 N-CA-C 109.092 -0.707 . . . . 72.24 109.092 174.658 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 . . . . . 0 N--CA 1.469 0.523 0 CA-C-O 120.909 0.385 . . . . 71.14 110.777 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 102' ' ' PHE . . . . . 0.505 ' O ' ' HG ' ' B' ' 105' ' ' LEU . 94.8 m-85 -90.81 -12.91 34.97 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.495 0.718 . . . . 65.43 112.239 -174.817 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 103' ' ' LYS . . . . . 0.443 ' H ' ' HD2' ' B' ' 103' ' ' LYS . 0.0 OUTLIER -59.84 -32.28 70.53 Favored 'General case' 0 N--CA 1.479 1.025 0 CA-C-O 121.45 0.643 . . . . 54.21 109.939 178.284 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 104' ' ' LYS . . . . . 0.452 ' O ' ' HG2' ' B' ' 108' ' ' GLN . 0.0 OUTLIER -76.98 -27.73 54.85 Favored 'General case' 0 C--O 1.209 -1.029 0 CA-C-N 114.949 -1.023 . . . . 74.42 109.652 -179.462 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' B' ' 102' ' ' PHE . 0.6 OUTLIER -61.29 -39.55 90.85 Favored 'General case' 0 C--N 1.378 1.838 0 N-CA-C 107.77 -1.196 . . . . 40.21 107.77 175.036 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 106' ' ' TYR . . . . . 0.446 ' O ' ' HB2' ' B' ' 110' ' ' LEU . 32.9 t80 -55.93 -52.6 63.57 Favored 'General case' 0 C--N 1.368 1.41 0 O-C-N 124.662 1.226 . . . . 74.34 108.887 174.208 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -59.53 -39.11 82.87 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.011 0.924 . . . . 75.54 113.038 -178.374 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 108' ' ' GLN . . . . . 0.452 ' HG2' ' O ' ' B' ' 104' ' ' LYS . 8.7 mm-40 -66.84 -61.59 1.88 Allowed 'General case' 0 N--CA 1.483 1.215 0 CA-C-O 120.815 0.341 . . . . 75.03 110.566 -176.025 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 11.7 mt -68.77 -34.49 65.0 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.901 0 CA-C-N 115.293 -0.867 . . . . 64.21 110.903 -173.532 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 110' ' ' LEU . . . . . 0.446 ' HB2' ' O ' ' B' ' 106' ' ' TYR . 0.6 OUTLIER -69.4 -36.57 76.87 Favored 'General case' 0 N--CA 1.492 1.638 0 C-N-CA 123.849 0.86 . . . . 74.55 110.377 179.443 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.72 -41.81 95.69 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 122.736 0.414 . . . . 71.22 110.429 174.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -67.9 -36.51 80.34 Favored 'General case' 0 CA--C 1.559 1.292 0 CA-C-N 115.559 -0.746 . . . . 65.42 110.274 175.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -70.94 -35.9 72.4 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 125.045 1.338 . . . . 73.12 109.892 -177.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -61.66 -50.57 71.98 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.623 1.169 . . . . 74.52 109.271 173.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 15.7 ttpt -57.43 -46.08 83.95 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 124.597 1.186 . . . . 75.13 110.143 179.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 116' ' ' LEU . . . . . 0.485 ' HB3' ' HB3' ' A' ' 16' ' ' LEU . 93.5 mt -67.85 -29.11 68.16 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 115.594 -0.73 . . . . 65.15 111.694 -178.807 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . 0.548 ' HA ' HD23 ' B' ' 120' ' ' LEU . 0.2 OUTLIER -71.51 -38.81 71.08 Favored 'General case' 0 CA--C 1.555 1.136 0 N-CA-C 108.716 -0.846 . . . . 74.44 108.716 176.106 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -73.04 -44.59 60.56 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.256 1.022 . . . . 71.03 111.575 -175.055 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 119' ' ' GLN . . . . . 0.435 HE22 ' HB3' ' A' ' 20' ' ' LEU . 5.0 pp0? -72.06 -36.09 69.48 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 115.664 -0.698 . . . . 73.15 111.029 -177.261 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 120' ' ' LEU . . . . . 0.548 HD23 ' HA ' ' B' ' 117' ' ' LYS . 0.5 OUTLIER -64.27 -41.96 96.67 Favored 'General case' 0 C--N 1.362 1.15 0 N-CA-C 109.483 -0.562 . . . . 63.54 109.483 175.705 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 9.8 t-80 -52.73 -48.38 66.74 Favored 'General case' 0 C--N 1.36 1.024 0 O-C-N 124.178 0.924 . . . . 73.55 109.991 176.116 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 122' ' ' ASP . . . . . 0.472 ' O ' ' HG2' ' B' ' 126' ' ' GLU . 76.4 m-20 -63.41 -48.78 76.38 Favored 'General case' 0 CA--C 1.537 0.447 0 O-C-N 124.309 1.006 . . . . 71.41 111.42 -179.631 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 123' ' ' THR . . . . . 0.506 HG21 ' ND2' ' A' ' 24' ' ' ASN . 10.2 m -67.54 -28.5 67.86 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.375 0.67 . . . . 74.2 111.528 -176.665 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 124' ' ' ASN . . . . . 0.503 ' ND2' HG21 ' A' ' 23' ' ' THR . 1.2 m-80 -74.78 -36.02 62.54 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.089 0.556 . . . . 64.24 109.773 176.061 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 125' ' ' MET . . . . . . . . . . . . . 92.4 mmm -68.22 -32.88 73.39 Favored 'General case' 0 C--N 1.358 0.96 0 C-N-CA 123.131 0.573 . . . . 73.41 111.325 172.167 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 126' ' ' GLU . . . . . 0.472 ' HG2' ' O ' ' B' ' 122' ' ' ASP . 23.3 mm-40 -64.06 -40.91 97.3 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 109.568 -0.53 . . . . 74.01 109.568 173.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 9.2 tt -73.3 -30.87 63.69 Favored 'General case' 0 CA--C 1.553 1.061 0 O-C-N 124.247 0.967 . . . . 63.35 110.625 179.275 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 128' ' ' THR . . . . . . . . . . . . . 87.0 m -67.23 -48.28 68.26 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-O 121.635 0.731 . . . . 54.35 109.822 175.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 129' ' ' ASP . . . . . 0.435 ' O ' ' HG3' ' B' ' 133' ' ' GLN . 25.1 t70 -61.74 -36.13 80.11 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 114.532 -1.213 . . . . 75.14 109.94 175.296 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 130' ' ' LEU . . . . . 0.496 HD12 ' HG ' ' A' ' 30' ' ' LEU . 0.3 OUTLIER -65.95 -51.94 54.14 Favored 'General case' 0 C--N 1.342 0.272 0 CA-C-N 115.509 -0.769 . . . . 74.14 110.517 -176.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.61 -25.47 65.77 Favored 'General case' 0 CA--C 1.551 0.99 0 O-C-N 123.485 0.491 . . . . 60.31 110.689 -176.468 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 132' ' ' LEU . . . . . 0.61 ' HG ' ' HE2' ' B' ' 136' ' ' LYS . 57.1 tp -66.09 -52.74 45.98 Favored 'General case' 0 CA--C 1.559 1.31 0 CA-C-N 115.878 -0.601 . . . . 73.4 109.937 170.736 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 133' ' ' GLN . . . . . 0.435 ' HG3' ' O ' ' B' ' 129' ' ' ASP . 47.5 mt-30 -58.27 -32.83 68.76 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 123.304 0.642 . . . . 61.33 110.982 174.399 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 134' ' ' LEU . . . . . 0.422 HD11 HG21 ' A' ' 38' ' ' THR . 10.9 tp -65.59 -47.55 75.35 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.798 1.239 . . . . 65.32 109.812 -171.6 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 135' ' ' GLU . . . . . 0.49 ' HA ' HG22 ' B' ' 138' ' ' THR . 2.5 pp20? -74.2 -22.42 59.39 Favored 'General case' 0 C--N 1.351 0.631 0 O-C-N 124.124 0.89 . . . . 73.44 111.877 179.054 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 136' ' ' LYS . . . . . 0.61 ' HE2' ' HG ' ' B' ' 132' ' ' LEU . 46.3 mttm -72.79 -30.44 64.08 Favored 'General case' 0 N--CA 1.486 1.332 0 CA-C-O 120.675 0.274 . . . . 62.3 111.062 169.054 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -84.38 -21.62 30.79 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.531 0.732 . . . . 43.31 111.822 -179.524 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 138' ' ' THR . . . . . 0.49 HG22 ' HA ' ' B' ' 135' ' ' GLU . 14.3 t -118.9 170.01 9.38 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-O 121.59 0.71 . . . . 64.43 111.51 -179.407 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -102.76 -21.12 14.12 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 114.697 -1.138 . . . . 75.45 109.79 170.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 140' ' ' ARG . . . . . 0.449 ' HG2' ' H ' ' B' ' 141' ' ' GLN . 49.6 ttt-85 -75.08 174.33 9.54 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.724 0.81 . . . . 75.41 110.262 -178.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 141' ' ' GLN . . . . . 0.449 ' H ' ' HG2' ' B' ' 140' ' ' ARG 0.26 27.2 pt20 57.21 -67.64 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.814 0 C-N-CA 127.49 2.316 . . . . 70.22 114.745 170.605 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 67.29 82.72 0.18 Allowed 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.415 1.086 . . . . 72.43 109.672 179.091 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 19.3 mmm-85 -73.57 -41.53 62.8 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 114.505 -1.225 . . . . 73.25 111.468 -175.616 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 144' ' ' PHE . . . . . . . . . . . . . 35.4 t80 . . . . . 0 C--O 1.249 1.068 0 CA-C-N 115.598 -0.728 . . . . 75.33 109.549 175.365 . . . . . . . . 0 0 . 1 stop_ save_