data_2k59_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 2k59 _Structure_validation_residue.Date_analyzed 2016-10-07 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 ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 12.0 ptt? . . . . . 0 N--CA 1.467 0.406 0 CA-C-O 120.888 0.375 . . . . 1.56 111.53 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' THR . . . . . 0.573 HG21 ' N ' ' B' ' 5' ' ' LEU . 12.3 t -56.86 -38.18 72.35 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 115.988 -0.551 . . . . 1.15 112.197 -179.306 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . 0.573 ' N ' HG21 ' B' ' 4' ' ' THR . 93.7 mt -69.72 -43.74 71.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.895 0.379 . . . . 1.31 111.298 179.522 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' CYS . . . . . . . . . . . . . 28.5 m -63.88 -50.53 68.42 Favored 'General case' 0 C--O 1.223 -0.336 0 N-CA-C 112.6 0.593 . . . . 1.17 112.6 -179.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . 0.677 ' HA ' ' HG ' ' B' ' 10' ' ' LEU . 14.9 tt -60.05 -38.82 78.36 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.5 0 N-CA-C 108.809 -0.811 . . . . 1.22 108.809 179.646 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' SER . . . . . 0.434 ' N ' HG23 ' B' ' 7' ' ' ILE . 36.9 t -61.22 -26.8 67.98 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 108.944 -0.761 . . . . 1.08 108.944 176.282 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 1.8 t -88.82 -34.7 7.11 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.853 0 O-C-N 121.962 -0.461 . . . . 1.14 112.238 179.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . 0.677 ' HG ' ' HA ' ' B' ' 7' ' ' ILE . 4.7 pp -67.77 -28.87 67.98 Favored 'General case' 0 C--O 1.238 0.468 0 N-CA-C 107.88 -1.156 . . . . 1.17 107.88 177.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.982 ' HA ' HG23 ' B' ' 14' ' ' THR . 4.1 pp -84.56 -35.61 22.69 Favored 'General case' 0 N--CA 1.439 -0.995 0 CA-C-N 115.204 -0.907 . . . . 1.14 109.967 176.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.26 -38.26 79.64 Favored 'General case' 0 CA--C 1.514 -0.404 0 N-CA-C 107.685 -1.228 . . . . 1.08 107.685 177.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . 0.402 ' O ' ' HG ' ' B' ' 17' ' ' LEU . 32.1 mt -66.97 -54.32 23.03 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.439 -0.8 . . . . 1.18 110.309 176.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' THR . . . . . 0.982 HG23 ' HA ' ' B' ' 11' ' ' LEU . 4.4 t -59.96 -45.93 91.06 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 111.832 0.308 . . . . 1.19 111.832 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 0.835 HG11 HD22 ' B' ' 18' ' ' LEU . 71.4 t -62.18 -44.82 99.53 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.168 0 O-C-N 121.557 -0.714 . . . . 1.12 110.078 178.427 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . 0.472 ' O ' HD13 ' B' ' 19' ' ' LEU . 49.0 t80 -54.42 -38.42 66.24 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 108.557 -0.905 . . . . 0.76 108.557 177.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . 0.64 HD13 ' HA ' ' B' ' 14' ' ' THR . 21.4 mt -69.03 -35.46 76.65 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.828 -0.623 . . . . 1.15 111.096 177.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . 0.835 HD22 HG11 ' B' ' 15' ' ' VAL . 0.2 OUTLIER -63.95 -49.07 74.02 Favored 'General case' 0 N--CA 1.422 -1.859 0 CA-C-O 121.393 0.616 . . . . 1.19 109.977 179.708 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . 0.472 HD13 ' O ' ' B' ' 16' ' ' PHE . 1.8 pp -66.7 -49.43 66.1 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.099 -0.955 . . . . 1.1 112.167 -179.232 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . 0.56 HG12 ' HA ' ' B' ' 17' ' ' LEU . 36.4 pt -56.41 -27.3 24.32 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 CA-C-N 118.811 0.732 . . . . 1.12 109.327 177.722 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 64.0 m -76.43 -53.15 8.53 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.489 -0.778 . . . . 0.37 109.836 177.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . 0.433 ' HD2' ' HA ' ' B' ' 22' ' ' LYS . 7.3 tptp . . . . . 0 N--CA 1.448 -0.55 0 CA-C-N 115.19 -0.914 . . . . 0.7 112.383 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 22.4 ptt? . . . . . 0 CA--C 1.537 0.452 0 CA-C-O 120.82 0.343 . . . . 1.5 111.784 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' THR . . . . . 0.556 HG21 ' N ' ' B' ' 5' ' ' LEU . 6.3 t -57.62 -35.05 69.95 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 112.505 0.558 . . . . 1.23 112.505 -178.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . 0.556 ' N ' HG21 ' B' ' 4' ' ' THR . 95.6 mt -68.5 -41.98 79.26 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-O 121.423 0.63 . . . . 1.53 110.802 179.203 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' CYS . . . . . . . . . . . . . 44.8 m -65.94 -49.72 66.95 Favored 'General case' 0 C--O 1.221 -0.395 0 CA-C-N 115.8 -0.636 . . . . 1.24 112.434 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . 0.708 ' HA ' ' HG ' ' B' ' 10' ' ' LEU . 19.0 tt -60.17 -36.69 69.71 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.411 0 N-CA-C 109.008 -0.738 . . . . 2.0 109.008 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 69.6 m -62.33 -28.11 69.52 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 108.957 -0.757 . . . . 0.58 108.957 175.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 2.0 t -87.09 -33.81 7.13 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.958 0 C-N-CA 120.5 -0.48 . . . . 1.32 111.905 179.055 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . 0.708 ' HG ' ' HA ' ' B' ' 7' ' ' ILE . 4.6 pp -68.68 -28.97 67.33 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 107.851 -1.166 . . . . 1.27 107.851 177.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.517 ' HG ' ' O ' ' B' ' 7' ' ' ILE . 4.2 pp -84.51 -34.21 23.37 Favored 'General case' 0 N--CA 1.442 -0.856 0 CA-C-N 115.425 -0.807 . . . . 1.22 109.802 176.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.13 -39.53 86.62 Favored 'General case' 0 CA--C 1.512 -0.485 0 N-CA-C 107.527 -1.286 . . . . 1.24 107.527 177.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 30.7 mt -66.15 -50.0 65.5 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.475 -0.784 . . . . 1.35 109.352 176.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 99.3 m -56.83 -54.78 42.45 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.983 -0.553 . . . . 1.3 111.839 178.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 0.576 HG13 HD21 ' B' ' 18' ' ' LEU . 77.7 t -58.43 -44.67 89.3 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.15 0 O-C-N 122.212 -0.305 . . . . 1.18 110.809 178.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . 0.459 ' CD1' HD12 ' B' ' 19' ' ' LEU . 42.2 t80 -53.95 -40.05 66.48 Favored 'General case' 0 C--O 1.223 -0.314 0 N-CA-C 109.197 -0.668 . . . . 0.87 109.197 178.434 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 21.6 mt -70.71 -32.02 69.07 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.101 -0.499 . . . . 1.34 111.186 177.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . 0.576 HD21 HG13 ' B' ' 15' ' ' VAL . 0.1 OUTLIER -66.32 -49.08 68.24 Favored 'General case' 0 N--CA 1.424 -1.76 0 CA-C-O 121.618 0.723 . . . . 1.32 109.548 179.667 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . 0.565 HD11 ' N ' ' B' ' 20' ' ' ILE . 1.6 pp -66.58 -48.24 70.21 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.011 -0.995 . . . . 1.11 110.31 179.652 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . 0.565 ' N ' HD11 ' B' ' 19' ' ' LEU . 11.9 mm -52.45 -31.51 15.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.373 0.606 . . . . 1.27 109.401 176.657 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' SER . . . . . 0.508 ' HB2' ' O ' ' B' ' 18' ' ' LEU . 58.6 m -72.99 -51.43 18.3 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.373 -0.83 . . . . 0.73 111.001 177.694 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 6.5 tptp . . . . . 0 N--CA 1.443 -0.786 0 CA-C-N 115.751 -0.659 . . . . 1.85 110.2 179.932 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 15.0 ptp . . . . . 0 N--CA 1.468 0.442 0 CA-C-O 120.816 0.341 . . . . 1.64 111.613 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' THR . . . . . 0.541 HG22 ' N ' ' B' ' 5' ' ' LEU . 5.6 t -57.89 -34.91 70.29 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 112.302 0.482 . . . . 1.45 112.302 -179.009 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . 0.541 ' N ' HG22 ' B' ' 4' ' ' THR . 95.9 mt -71.11 -39.71 71.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.392 0.615 . . . . 1.6 110.444 178.738 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' CYS . . . . . 0.619 ' O ' ' HG ' ' B' ' 10' ' ' LEU . 20.9 m -65.04 -52.07 57.94 Favored 'General case' 0 C--O 1.218 -0.6 0 CA-C-N 115.823 -0.626 . . . . 1.12 111.96 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . 0.463 ' O ' ' HG ' ' B' ' 11' ' ' LEU . 1.3 tp -56.91 -37.32 53.62 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 N-CA-C 108.717 -0.845 . . . . 1.79 108.717 179.347 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 67.0 m -61.49 -29.04 69.72 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 109.42 -0.585 . . . . 0.51 109.42 176.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.441 ' HA ' ' HB2' ' B' ' 12' ' ' ALA . 1.8 t -87.3 -32.19 6.22 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.836 0 O-C-N 121.845 -0.535 . . . . 1.24 111.432 178.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . 0.619 ' HG ' ' O ' ' B' ' 6' ' ' CYS . 13.6 mt -64.88 -34.53 78.6 Favored 'General case' 0 CA--C 1.507 -0.693 0 N-CA-C 107.406 -1.331 . . . . 1.18 107.406 177.533 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' B' ' 7' ' ' ILE . 4.1 pp -82.91 -34.38 26.63 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 114.212 -1.358 . . . . 1.14 110.388 178.136 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' ALA . . . . . 0.441 ' HB2' ' HA ' ' B' ' 9' ' ' VAL . . . -59.94 -39.06 84.25 Favored 'General case' 0 CA--C 1.512 -0.483 0 N-CA-C 107.544 -1.28 . . . . 1.13 107.544 177.115 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 28.2 mt -66.07 -50.85 62.67 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.563 -0.744 . . . . 1.29 109.221 176.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 92.4 m -56.11 -54.41 45.4 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.88 -0.6 . . . . 1.24 111.823 178.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 0.421 ' CG1' HD21 ' B' ' 18' ' ' LEU . 83.1 t -58.45 -46.2 89.66 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.13 0 O-C-N 122.177 -0.327 . . . . 1.21 110.987 178.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . 0.413 ' O ' HG12 ' B' ' 20' ' ' ILE . 3.0 m-30 -54.69 -38.15 66.65 Favored 'General case' 0 C--O 1.221 -0.408 0 CA-C-O 121.416 0.627 . . . . 0.99 109.506 178.268 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 20.6 mt -70.49 -32.26 69.71 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.349 -0.387 . . . . 1.35 110.943 177.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . 0.549 ' C ' HD13 ' B' ' 18' ' ' LEU . 0.2 OUTLIER -66.35 -48.72 69.3 Favored 'General case' 0 N--CA 1.427 -1.62 0 CA-C-O 121.605 0.717 . . . . 1.26 109.669 179.491 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . 0.469 HD13 HG12 ' B' ' 20' ' ' ILE . 1.6 pp -67.16 -45.85 75.77 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 114.892 -1.049 . . . . 1.27 110.538 179.784 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . 0.504 ' O ' HG21 ' B' ' 20' ' ' ILE . 13.8 mm -58.55 -27.09 32.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 121.443 0.64 . . . . 1.39 109.496 176.776 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' SER . . . . . 0.518 ' HB2' ' O ' ' B' ' 18' ' ' LEU . 29.8 m -73.22 -61.03 1.96 Allowed 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.634 -0.712 . . . . 0.88 111.562 178.431 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 13.4 tptt . . . . . 0 N--CA 1.445 -0.695 0 CA-C-N 115.835 -0.62 . . . . 1.88 111.026 -179.256 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 22.5 ptt? . . . . . 0 N--CA 1.465 0.311 0 CA-C-O 120.797 0.332 . . . . 1.97 111.456 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 3.3 t -58.63 -41.02 85.0 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.967 -0.561 . . . . 1.21 111.725 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 90.2 mt -68.96 -42.07 77.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.3 0.572 . . . . 1.48 110.667 179.217 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' CYS . . . . . 0.579 ' O ' ' HG ' ' B' ' 10' ' ' LEU . 23.2 m -63.99 -52.0 61.66 Favored 'General case' 0 C--O 1.22 -0.474 0 CA-C-N 115.967 -0.56 . . . . 1.06 112.28 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . 0.458 ' HA ' ' HG ' ' B' ' 10' ' ' LEU . 15.1 tt -58.85 -35.58 56.9 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.463 0 N-CA-C 109.065 -0.717 . . . . 1.35 109.065 179.733 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 44.1 t -61.52 -28.14 69.11 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 108.85 -0.796 . . . . 1.07 108.85 175.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 1.6 t -88.08 -32.03 5.93 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.921 0 C-N-CA 120.679 -0.409 . . . . 1.21 111.578 178.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . 0.579 ' HG ' ' O ' ' B' ' 6' ' ' CYS . 14.3 mt -64.39 -34.46 78.22 Favored 'General case' 0 CA--C 1.508 -0.661 0 N-CA-C 107.583 -1.266 . . . . 1.27 107.583 177.651 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' B' ' 7' ' ' ILE . 3.8 pp -83.38 -35.82 24.8 Favored 'General case' 0 N--CA 1.442 -0.832 0 CA-C-N 114.033 -1.44 . . . . 1.19 110.227 177.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.67 -37.81 76.83 Favored 'General case' 0 CA--C 1.512 -0.489 0 N-CA-C 107.668 -1.234 . . . . 1.12 107.668 177.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 28.2 mt -68.06 -53.38 26.09 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.542 -0.754 . . . . 1.21 109.878 176.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' THR . . . . . 0.515 HG21 ' N ' ' B' ' 15' ' ' VAL . 0.5 OUTLIER -58.04 -46.75 84.82 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 116.517 -0.311 . . . . 1.8 111.571 179.607 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 0.878 HG11 HD22 ' B' ' 18' ' ' LEU . 76.2 t -63.6 -44.85 98.73 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.2 0 O-C-N 121.596 -0.69 . . . . 1.17 110.618 178.631 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . 0.649 ' O ' ' HB ' ' B' ' 20' ' ' ILE . 15.8 t80 -55.13 -35.36 64.61 Favored 'General case' 0 C--O 1.224 -0.274 0 N-CA-C 108.749 -0.834 . . . . 2.53 108.749 178.211 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . 0.513 ' HA ' HG21 ' B' ' 20' ' ' ILE . 22.4 mt -74.04 -32.81 63.48 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.914 -0.585 . . . . 1.25 110.972 177.576 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . 0.878 HD22 HG11 ' B' ' 15' ' ' VAL . 0.2 OUTLIER -64.24 -50.41 68.11 Favored 'General case' 0 N--CA 1.422 -1.86 0 N-CA-C 109.237 -0.653 . . . . 1.21 109.237 179.506 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . 0.462 ' N ' ' HG ' ' B' ' 18' ' ' LEU . 2.3 pp -68.82 -41.94 77.92 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.142 -0.935 . . . . 1.15 110.786 179.484 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . 0.649 ' HB ' ' O ' ' B' ' 16' ' ' PHE . 1.3 tp -55.79 -28.5 23.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 108.949 -0.76 . . . . 1.34 108.949 177.545 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' SER . . . . . 0.432 ' N ' HG23 ' B' ' 20' ' ' ILE . 69.3 m -83.88 -51.47 7.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.993 -1.003 . . . . 0.49 109.865 177.467 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . 0.445 ' HA ' ' HD2' ' B' ' 22' ' ' LYS . 7.2 tptp . . . . . 0 N--CA 1.448 -0.55 0 CA-C-N 114.921 -1.036 . . . . 0.82 112.953 -179.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 16.4 ptp . . . . . 0 N--CA 1.468 0.459 0 N-CA-C 112.471 0.545 . . . . 2.39 112.471 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' THR . . . . . 0.437 HG21 ' N ' ' B' ' 5' ' ' LEU . 6.8 t -57.61 -39.99 78.13 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 111.997 0.369 . . . . 1.5 111.997 -179.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . 0.437 ' N ' HG21 ' B' ' 4' ' ' THR . 91.0 mt -69.16 -41.27 77.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.187 0.518 . . . . 1.7 110.628 178.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' CYS . . . . . 0.612 ' O ' ' HG ' ' B' ' 10' ' ' LEU . 34.6 m -65.09 -52.16 57.15 Favored 'General case' 0 C--O 1.219 -0.518 0 CA-C-N 115.946 -0.57 . . . . 1.15 112.252 -179.699 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . 0.475 ' O ' ' HG ' ' B' ' 11' ' ' LEU . 7.8 tp -58.51 -35.83 56.44 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.468 0 N-CA-C 108.686 -0.857 . . . . 1.42 108.686 179.422 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' SER . . . . . 0.438 ' O ' ' HB2' ' B' ' 12' ' ' ALA . 27.1 t -61.35 -29.65 70.03 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 109.017 -0.734 . . . . 1.47 109.017 176.177 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 1.8 t -87.07 -32.38 6.36 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.795 0 C-N-CA 120.491 -0.483 . . . . 1.55 111.659 178.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . 0.612 ' HG ' ' O ' ' B' ' 6' ' ' CYS . 14.9 mt -64.74 -34.39 78.21 Favored 'General case' 0 CA--C 1.507 -0.684 0 N-CA-C 107.475 -1.306 . . . . 1.48 107.475 177.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' B' ' 7' ' ' ILE . 3.9 pp -82.84 -34.82 26.75 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 114.219 -1.355 . . . . 1.21 110.147 177.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' ALA . . . . . 0.438 ' HB2' ' O ' ' B' ' 8' ' ' SER . . . -59.71 -38.71 82.35 Favored 'General case' 0 CA--C 1.514 -0.411 0 N-CA-C 107.753 -1.203 . . . . 1.39 107.753 177.318 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 32.0 mt -66.88 -50.89 61.05 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.535 -0.757 . . . . 1.74 109.361 176.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 91.6 m -55.97 -54.45 44.67 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.8 -0.636 . . . . 1.23 111.761 178.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 0.608 ' HA ' HD21 ' B' ' 18' ' ' LEU . 81.1 t -59.12 -44.67 92.14 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.206 0 O-C-N 122.157 -0.339 . . . . 1.27 110.801 178.792 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . 0.585 ' O ' HD13 ' B' ' 19' ' ' LEU . 43.0 t80 -53.8 -39.65 65.67 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-O 121.602 0.715 . . . . 1.75 109.081 178.255 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 21.4 mt -70.94 -32.74 69.72 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.037 -0.529 . . . . 1.69 111.01 177.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . 0.608 HD21 ' HA ' ' B' ' 15' ' ' VAL . 0.1 OUTLIER -65.83 -48.64 70.96 Favored 'General case' 0 N--CA 1.425 -1.68 0 CA-C-O 121.622 0.725 . . . . 1.29 109.708 179.612 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . 0.585 HD13 ' O ' ' B' ' 16' ' ' PHE . 1.8 pp -67.1 -46.27 74.73 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 114.914 -1.039 . . . . 1.45 110.646 179.765 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . 0.521 HG12 HD13 ' B' ' 19' ' ' LEU . 13.4 mm -57.83 -27.52 30.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.543 0.687 . . . . 1.68 109.68 176.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' SER . . . . . 0.513 ' HB2' ' O ' ' B' ' 18' ' ' LEU . 27.6 m -72.98 -59.57 2.64 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.438 -0.801 . . . . 0.7 111.843 178.701 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 12.9 tptt . . . . . 0 N--CA 1.446 -0.632 0 CA-C-N 115.522 -0.763 . . . . 1.84 111.045 -179.018 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 20.2 ptt? . . . . . 0 CA--C 1.538 0.497 0 N-CA-C 112.108 0.41 . . . . 2.04 112.108 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 5.1 t -53.94 -41.04 67.31 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 112.013 0.375 . . . . 1.61 112.013 -179.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 87.0 mt -66.92 -42.81 84.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.25 0.547 . . . . 1.89 110.88 179.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' CYS . . . . . 0.59 ' O ' ' HG ' ' B' ' 10' ' ' LEU . 31.1 m -64.64 -51.82 60.63 Favored 'General case' 0 C--O 1.219 -0.508 0 CA-C-N 116.017 -0.538 . . . . 1.37 112.191 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . 0.453 ' HA ' ' HG ' ' B' ' 10' ' ' LEU . 15.2 tt -59.2 -35.45 57.8 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.431 0 N-CA-C 108.924 -0.769 . . . . 1.33 108.924 179.614 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' SER . . . . . 0.406 ' O ' ' HB1' ' B' ' 12' ' ' ALA . 29.5 t -62.39 -27.48 69.11 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 109.009 -0.737 . . . . 1.27 109.009 175.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.422 ' HA ' ' HB1' ' B' ' 12' ' ' ALA . 1.5 t -87.72 -31.81 5.96 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.871 0 C-N-CA 120.388 -0.525 . . . . 1.52 111.212 178.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . 0.59 ' HG ' ' O ' ' B' ' 6' ' ' CYS . 13.9 mt -64.88 -34.59 78.75 Favored 'General case' 0 CA--C 1.51 -0.594 0 N-CA-C 107.344 -1.354 . . . . 1.48 107.344 177.468 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' B' ' 7' ' ' ILE . 4.0 pp -83.25 -34.55 25.8 Favored 'General case' 0 C--O 1.214 -0.795 0 CA-C-N 114.148 -1.387 . . . . 1.24 110.316 178.145 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' ALA . . . . . 0.422 ' HB1' ' HA ' ' B' ' 9' ' ' VAL . . . -59.9 -38.28 81.82 Favored 'General case' 0 CA--C 1.514 -0.421 0 N-CA-C 107.672 -1.233 . . . . 1.38 107.672 177.275 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 28.0 mt -67.34 -51.04 57.19 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 115.552 -0.749 . . . . 1.68 109.198 176.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 89.4 m -55.55 -54.27 46.07 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 115.906 -0.588 . . . . 1.44 111.752 178.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 0.652 HG11 HD22 ' B' ' 18' ' ' LEU . 89.1 t -59.45 -45.08 93.96 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.199 0 O-C-N 122.212 -0.305 . . . . 1.26 110.842 178.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . 0.427 ' CD1' HD13 ' B' ' 19' ' ' LEU . 48.4 t80 -53.89 -37.65 63.96 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.481 0.658 . . . . 1.76 109.227 178.324 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . 0.465 ' O ' HG21 ' B' ' 20' ' ' ILE . 21.0 mt -72.43 -34.01 67.52 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.957 -0.565 . . . . 1.65 110.868 177.717 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . 0.652 HD22 HG11 ' B' ' 15' ' ' VAL . 0.2 OUTLIER -65.01 -48.94 72.14 Favored 'General case' 0 N--CA 1.423 -1.781 0 CA-C-O 121.633 0.73 . . . . 1.48 109.622 179.624 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . 0.585 HD12 ' N ' ' B' ' 20' ' ' ILE . 2.3 pp -68.2 -46.46 70.58 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 114.861 -1.063 . . . . 1.36 110.929 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . 0.585 ' N ' HD12 ' B' ' 19' ' ' LEU . 4.1 tp -58.86 -24.44 26.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 121.249 0.547 . . . . 1.71 109.745 178.047 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' SER . . . . . 0.444 ' HB2' ' O ' ' B' ' 18' ' ' LEU . 31.6 m -77.32 -60.32 2.41 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-N 115.477 -0.783 . . . . 1.44 111.081 178.207 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 6.2 tptp . . . . . 0 N--CA 1.446 -0.637 0 CA-C-N 115.321 -0.854 . . . . 1.97 111.378 -179.157 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 21.4 ptm . . . . . 0 N--CA 1.468 0.461 0 N-CA-C 112.069 0.396 . . . . 1.83 112.069 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 3.0 t -60.24 -41.03 92.31 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 120.809 0.337 . . . . 1.25 111.406 179.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 90.3 mt -68.41 -41.36 80.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.212 0.529 . . . . 1.35 110.553 178.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' CYS . . . . . 0.613 ' O ' ' HG ' ' B' ' 10' ' ' LEU . 29.4 m -64.61 -52.65 56.34 Favored 'General case' 0 C--O 1.219 -0.506 0 CA-C-N 116.01 -0.541 . . . . 1.39 112.22 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . 0.467 ' O ' ' HG ' ' B' ' 11' ' ' LEU . 8.1 tp -58.44 -36.59 59.63 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.462 0 N-CA-C 108.933 -0.765 . . . . 1.18 108.933 179.578 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' SER . . . . . 0.454 ' N ' HG21 ' B' ' 7' ' ' ILE . 39.9 t -62.24 -27.12 68.77 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 109.237 -0.653 . . . . 1.12 109.237 176.125 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 1.4 t -88.2 -32.24 5.96 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.857 0 C-N-CA 120.331 -0.548 . . . . 1.21 111.371 178.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . 0.613 ' HG ' ' O ' ' B' ' 6' ' ' CYS . 14.1 mt -65.06 -34.23 77.93 Favored 'General case' 0 CA--C 1.509 -0.619 0 N-CA-C 107.462 -1.31 . . . . 1.17 107.462 177.597 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' B' ' 7' ' ' ILE . 4.0 pp -83.06 -35.09 26.01 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 114.15 -1.386 . . . . 1.28 110.309 177.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.75 -38.38 81.61 Favored 'General case' 0 CA--C 1.514 -0.431 0 N-CA-C 107.704 -1.221 . . . . 1.12 107.704 177.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 29.0 mt -67.05 -50.72 61.0 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.595 -0.73 . . . . 1.22 109.317 176.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 89.2 m -56.34 -54.3 47.17 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.968 -0.56 . . . . 1.22 111.824 178.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 0.784 HG12 HD21 ' B' ' 18' ' ' LEU . 79.0 t -58.77 -44.88 91.19 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.166 0 O-C-N 122.13 -0.356 . . . . 1.17 110.86 178.742 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . 0.526 ' O ' HD11 ' B' ' 19' ' ' LEU . 43.1 t80 -54.08 -39.93 66.76 Favored 'General case' 0 C--O 1.223 -0.335 0 CA-C-O 121.596 0.712 . . . . 0.76 109.195 178.34 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 22.4 mt -70.6 -32.19 69.45 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.02 -0.536 . . . . 1.23 111.037 177.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . 0.784 HD21 HG12 ' B' ' 15' ' ' VAL . 0.1 OUTLIER -66.03 -48.97 69.34 Favored 'General case' 0 N--CA 1.425 -1.723 0 CA-C-O 121.573 0.702 . . . . 1.18 109.568 179.662 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . 0.526 HD11 ' O ' ' B' ' 16' ' ' PHE . 1.5 pp -66.47 -48.16 70.78 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.132 -0.94 . . . . 1.12 110.361 179.644 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . 0.49 HG12 HD11 ' B' ' 19' ' ' LEU . 13.8 mm -53.07 -31.15 17.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.339 0.59 . . . . 1.23 109.455 176.759 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' SER . . . . . 0.521 ' HB2' ' O ' ' B' ' 18' ' ' LEU . 57.8 m -73.05 -50.64 21.79 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.357 -0.838 . . . . 0.55 110.887 177.776 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 1.6 tptm . . . . . 0 N--CA 1.444 -0.74 0 CA-C-N 115.338 -0.846 . . . . 1.48 110.043 -179.949 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 15.8 ptp . . . . . 0 N--CA 1.469 0.48 0 N-CA-C 112.373 0.508 . . . . 2.26 112.373 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 4.4 t -56.04 -39.87 72.65 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 112.264 0.468 . . . . 1.51 112.264 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . 0.408 ' HA ' HD22 ' B' ' 5' ' ' LEU . 88.1 mt -66.92 -42.78 84.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.113 0.482 . . . . 1.86 110.901 179.213 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' CYS . . . . . 0.607 ' O ' ' HG ' ' B' ' 10' ' ' LEU . 29.9 m -65.57 -52.31 53.24 Favored 'General case' 0 C--O 1.218 -0.564 0 CA-C-N 116.058 -0.519 . . . . 1.23 112.379 -179.8 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . 0.51 HD11 HD11 ' B' ' 10' ' ' LEU . 7.9 tp -58.05 -36.57 57.25 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.44 0 N-CA-C 108.839 -0.8 . . . . 1.4 108.839 179.649 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' SER . . . . . 0.452 ' HA ' HD22 ' B' ' 11' ' ' LEU . 48.1 t -60.82 -30.13 69.9 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 108.955 -0.758 . . . . 1.24 108.955 176.03 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 1.6 t -86.71 -32.19 6.45 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.774 0 O-C-N 121.846 -0.534 . . . . 1.58 111.918 178.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . 0.607 ' HG ' ' O ' ' B' ' 6' ' ' CYS . 14.2 mt -65.1 -34.09 77.57 Favored 'General case' 0 CA--C 1.508 -0.664 0 N-CA-C 107.571 -1.27 . . . . 1.5 107.571 177.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' B' ' 7' ' ' ILE . 4.0 pp -83.03 -34.58 26.22 Favored 'General case' 0 C--O 1.215 -0.738 0 CA-C-N 114.262 -1.335 . . . . 1.25 110.243 177.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' ALA . . . . . 0.441 ' HB1' ' O ' ' B' ' 8' ' ' SER . . . -59.96 -39.05 84.28 Favored 'General case' 0 CA--C 1.514 -0.418 0 N-CA-C 107.662 -1.236 . . . . 1.4 107.662 177.413 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 29.9 mt -67.19 -48.89 66.57 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.579 -0.737 . . . . 1.78 109.427 176.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' THR . . . . . 0.537 ' O ' ' HG ' ' B' ' 17' ' ' LEU . 96.7 m -57.81 -54.14 50.28 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 115.827 -0.624 . . . . 1.07 111.629 178.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 0.71 ' HA ' HD22 ' B' ' 18' ' ' LEU . 94.2 t -59.65 -45.93 93.79 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.36 0 O-C-N 121.546 -0.721 . . . . 1.26 110.661 178.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . 0.443 ' O ' HD12 ' B' ' 19' ' ' LEU . 1.2 m-85 -54.4 -37.36 64.97 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 120.925 -0.31 . . . . 2.51 111.063 178.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . 0.799 ' HA ' HG22 ' B' ' 20' ' ' ILE . 4.4 pp -79.61 -25.22 41.53 Favored 'General case' 0 N--CA 1.444 -0.739 0 C-N-CA 119.41 -0.916 . . . . 1.52 110.514 178.327 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . 0.71 HD22 ' HA ' ' B' ' 15' ' ' VAL . 0.1 OUTLIER -67.66 -49.66 61.77 Favored 'General case' 0 N--CA 1.423 -1.804 0 N-CA-C 108.695 -0.854 . . . . 1.32 108.695 178.283 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . 0.52 ' HG ' ' O ' ' B' ' 15' ' ' VAL . 2.3 pp -67.52 -45.75 74.86 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.62 -1.173 . . . . 1.38 110.782 179.555 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . 0.799 HG22 ' HA ' ' B' ' 17' ' ' LEU . 3.6 tp -60.05 -24.08 29.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.061 0.458 . . . . 1.58 110.01 178.238 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' SER . . . . . 0.432 ' N ' HG21 ' B' ' 20' ' ' ILE . 30.3 m -77.64 -61.57 1.95 Allowed 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.822 -0.626 . . . . 0.87 111.181 178.48 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 13.5 tptt . . . . . 0 N--CA 1.445 -0.689 0 CA-C-N 115.249 -0.887 . . . . 1.89 111.064 -179.262 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 21.1 ptt? . . . . . 0 CA--C 1.537 0.446 0 N-CA-C 112.125 0.417 . . . . 1.74 112.125 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 5.9 t -55.77 -40.69 72.95 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 112.172 0.434 . . . . 1.24 112.172 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . 0.403 ' HA ' HD21 ' B' ' 5' ' ' LEU . 93.7 mt -67.69 -39.97 84.39 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-O 121.11 0.481 . . . . 1.39 111.04 179.377 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' CYS . . . . . . . . . . . . . 34.6 m -67.21 -50.54 60.41 Favored 'General case' 0 C--O 1.22 -0.458 0 N-CA-C 112.348 0.499 . . . . 1.2 112.348 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . 0.699 ' HA ' ' HG ' ' B' ' 10' ' ' LEU . 14.2 tt -60.14 -38.49 77.26 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.555 0 N-CA-C 108.687 -0.857 . . . . 1.34 108.687 179.635 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' SER . . . . . 0.47 ' O ' ' HB3' ' B' ' 12' ' ' ALA . 33.4 t -60.25 -29.04 68.51 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 108.954 -0.758 . . . . 1.07 108.954 176.08 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 1.8 t -87.51 -34.26 7.29 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.864 0 N-CA-C 112.48 0.548 . . . . 1.2 112.48 179.317 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . 0.699 ' HG ' ' HA ' ' B' ' 7' ' ' ILE . 4.7 pp -67.82 -29.15 68.24 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.023 -1.103 . . . . 1.21 108.023 178.086 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.531 ' HG ' ' O ' ' B' ' 7' ' ' ILE . 4.1 pp -84.45 -34.82 23.36 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-N 115.328 -0.851 . . . . 1.16 109.764 176.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' ALA . . . . . 0.47 ' HB3' ' O ' ' B' ' 8' ' ' SER . . . -59.62 -39.0 82.84 Favored 'General case' 0 CA--C 1.514 -0.427 0 N-CA-C 107.607 -1.257 . . . . 0.58 107.607 177.343 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 30.5 mt -66.39 -50.78 62.31 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.554 -0.748 . . . . 1.26 109.393 176.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 95.6 m -56.48 -54.17 48.92 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 116.037 -0.528 . . . . 1.18 111.791 178.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 0.658 ' HA ' HD22 ' B' ' 18' ' ' LEU . 82.3 t -58.99 -44.81 91.98 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.161 0 O-C-N 122.199 -0.313 . . . . 1.21 110.783 178.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -53.44 -40.67 65.4 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 109.009 -0.737 . . . . 1.03 109.009 178.227 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . 0.559 HD23 HD12 ' B' ' 20' ' ' ILE . 21.4 mt -68.34 -34.84 76.82 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.798 -0.637 . . . . 1.25 111.01 177.743 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . 0.658 HD22 ' HA ' ' B' ' 15' ' ' VAL . 0.2 OUTLIER -65.17 -48.21 74.29 Favored 'General case' 0 N--CA 1.424 -1.728 0 CA-C-O 121.518 0.675 . . . . 1.14 110.162 179.849 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . 0.56 HD12 HG21 ' B' ' 20' ' ' ILE . 1.8 pp -66.36 -48.6 69.69 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 114.903 -1.044 . . . . 1.14 111.781 -179.368 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . 0.56 HG21 HD12 ' B' ' 19' ' ' LEU . 33.7 pt -60.43 -24.48 31.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 C-N-CA 120.068 -0.653 . . . . 1.21 109.755 177.625 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' SER . . . . . 0.455 ' HB2' ' O ' ' B' ' 18' ' ' LEU . 21.5 m -73.81 -63.06 1.29 Allowed 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.552 -0.749 . . . . 0.52 111.199 178.592 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 6.2 tptp . . . . . 0 N--CA 1.445 -0.687 0 CA-C-N 115.425 -0.807 . . . . 1.51 110.994 -179.522 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 21.6 ptm . . . . . 0 CA--C 1.537 0.45 0 N-CA-C 112.169 0.433 . . . . 1.69 112.169 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 6.0 t -58.07 -38.06 75.64 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 120.804 0.335 . . . . 1.25 111.781 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 91.4 mt -69.3 -42.32 75.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.154 0.502 . . . . 1.45 110.838 179.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' CYS . . . . . . . . . . . . . 32.7 m -64.71 -50.08 68.36 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-N 115.994 -0.548 . . . . 0.89 112.399 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . 0.673 ' HA ' ' HG ' ' B' ' 10' ' ' LEU . 14.7 tt -59.98 -38.17 75.48 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.572 0 N-CA-C 108.881 -0.785 . . . . 1.29 108.881 179.687 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' SER . . . . . 0.487 ' O ' ' HB2' ' B' ' 12' ' ' ALA . 70.9 m -62.08 -27.09 68.67 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 109.128 -0.693 . . . . 0.46 109.128 176.088 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 2.1 t -87.51 -34.45 7.42 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.887 0 O-C-N 121.915 -0.491 . . . . 1.27 112.014 179.174 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . 0.673 ' HG ' ' HA ' ' B' ' 7' ' ' ILE . 4.7 pp -68.49 -29.04 67.57 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 107.911 -1.144 . . . . 1.23 107.911 177.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' B' ' 7' ' ' ILE . 4.1 pp -84.34 -33.94 23.76 Favored 'General case' 0 N--CA 1.441 -0.88 0 CA-C-N 115.412 -0.813 . . . . 1.14 109.781 176.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' ALA . . . . . 0.487 ' HB2' ' O ' ' B' ' 8' ' ' SER . . . -60.58 -40.29 91.21 Favored 'General case' 0 CA--C 1.515 -0.378 0 N-CA-C 107.44 -1.319 . . . . 1.15 107.44 177.16 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 31.0 mt -65.44 -48.43 72.75 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 115.519 -0.764 . . . . 1.43 109.549 176.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' THR . . . . . 0.541 ' O ' ' HG ' ' B' ' 17' ' ' LEU . 99.7 m -59.3 -54.5 46.06 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 115.857 -0.611 . . . . 1.2 111.849 179.066 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 0.608 ' HA ' HD23 ' B' ' 18' ' ' LEU . 91.0 t -59.05 -46.11 91.98 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.29 0 O-C-N 121.452 -0.78 . . . . 1.21 110.904 179.118 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . 0.6 ' O ' HG23 ' B' ' 20' ' ' ILE . 3.0 m-85 -55.39 -39.01 69.63 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.711 -0.396 . . . . 1.24 110.877 179.016 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . 0.78 ' HA ' HG12 ' B' ' 20' ' ' ILE . 4.4 pp -75.85 -25.92 56.67 Favored 'General case' 0 N--CA 1.444 -0.725 0 C-N-CA 119.166 -1.014 . . . . 1.29 110.504 178.231 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . 0.608 HD23 ' HA ' ' B' ' 15' ' ' VAL . 0.1 OUTLIER -67.45 -48.68 66.51 Favored 'General case' 0 N--CA 1.422 -1.838 0 CA-C-O 121.705 0.764 . . . . 1.21 108.94 178.414 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . 0.546 HD22 HG13 ' B' ' 15' ' ' VAL . 1.6 pp -65.94 -49.39 68.11 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 114.732 -1.122 . . . . 1.26 111.519 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . 0.78 HG12 ' HA ' ' B' ' 17' ' ' LEU . 31.7 pt -59.57 -24.71 29.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 C-N-CA 119.843 -0.743 . . . . 1.31 109.974 177.763 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' SER . . . . . 0.482 ' HB2' ' O ' ' B' ' 18' ' ' LEU . 15.0 m -72.4 -59.64 2.63 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 115.731 -0.668 . . . . 0.59 111.572 178.546 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 12.5 tptt . . . . . 0 N--CA 1.444 -0.726 0 CA-C-N 115.672 -0.694 . . . . 1.88 111.208 -179.109 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 17.6 ptm . . . . . 0 N--CA 1.467 0.419 0 N-CA-C 111.989 0.366 . . . . 1.64 111.989 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 4' ' ' THR . . . . . 0.415 HG21 ' N ' ' B' ' 5' ' ' LEU . 4.6 t -58.55 -39.76 81.13 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 120.766 0.317 . . . . 1.18 111.508 179.645 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . 0.415 ' N ' HG21 ' B' ' 4' ' ' THR . 88.8 mt -69.52 -41.94 75.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.192 0.52 . . . . 1.44 110.51 179.002 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' CYS . . . . . 0.562 ' O ' ' HG ' ' B' ' 10' ' ' LEU . 13.8 m -63.8 -52.91 58.12 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-N 115.74 -0.664 . . . . 0.95 112.017 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . 0.483 ' O ' ' HG ' ' B' ' 11' ' ' LEU . 15.4 tt -58.8 -35.98 58.66 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.488 0 N-CA-C 109.08 -0.711 . . . . 1.23 109.08 179.584 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' SER . . . . . 0.464 ' N ' HG23 ' B' ' 7' ' ' ILE . 74.0 m -61.84 -27.47 68.8 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 108.862 -0.792 . . . . 0.63 108.862 176.1 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.68 ' O ' HD11 ' B' ' 13' ' ' LEU . 1.6 t -86.92 -34.45 7.65 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.928 0 C-N-CA 120.455 -0.498 . . . . 1.35 111.141 178.476 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . 0.562 ' HG ' ' O ' ' B' ' 6' ' ' CYS . 12.1 mt -63.21 -33.22 75.01 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 107.779 -1.193 . . . . 1.21 107.779 177.774 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' B' ' 7' ' ' ILE . 4.1 pp -84.91 -34.16 22.59 Favored 'General case' 0 C--O 1.213 -0.867 0 CA-C-N 114.132 -1.395 . . . . 1.17 110.706 178.436 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' ALA . . . . . 0.411 ' HB2' ' HA ' ' B' ' 9' ' ' VAL . . . -59.5 -41.82 90.75 Favored 'General case' 0 CA--C 1.513 -0.451 0 N-CA-C 107.556 -1.275 . . . . 1.17 107.556 177.398 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . 0.68 HD11 ' O ' ' B' ' 9' ' ' VAL . 11.1 mp -66.13 -48.85 69.48 Favored 'General case' 0 N--CA 1.443 -0.775 0 CA-C-N 115.524 -0.762 . . . . 1.26 109.94 176.463 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' THR . . . . . 0.427 ' HB ' ' HA ' ' B' ' 11' ' ' LEU . 78.1 m -57.99 -53.33 59.43 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 116.619 -0.264 . . . . 1.15 111.605 178.717 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 0.799 HG11 HD21 ' B' ' 18' ' ' LEU . 53.5 t -57.96 -48.39 84.21 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.184 0 O-C-N 122.159 -0.338 . . . . 1.17 110.435 178.611 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . 0.621 ' HA ' HD11 ' B' ' 19' ' ' LEU . 32.9 t80 -50.44 -43.18 55.01 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 109.131 -0.692 . . . . 0.87 109.131 178.404 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . 0.682 ' HA ' HG12 ' B' ' 20' ' ' ILE . 20.7 mt -64.51 -32.34 73.93 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 115.879 -0.601 . . . . 1.19 110.847 177.597 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . 0.799 HD21 HG11 ' B' ' 15' ' ' VAL . 0.1 OUTLIER -62.6 -53.04 60.52 Favored 'General case' 0 N--CA 1.418 -2.041 0 O-C-N 122.226 -0.296 . . . . 1.12 110.359 179.218 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . 0.621 HD11 ' HA ' ' B' ' 16' ' ' PHE 0.251 0.0 OUTLIER -70.62 -33.8 71.42 Favored 'General case' 0 C--O 1.221 -0.403 0 C-N-CA 118.567 -1.253 . . . . 1.13 113.117 -178.79 . . . . . . . . 4 4 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . 0.682 HG12 ' HA ' ' B' ' 17' ' ' LEU . 28.7 pt -69.79 -21.86 24.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 119.119 0.872 . . . . 1.15 109.288 177.354 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 33.6 m -81.28 -59.1 2.76 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.33 -0.85 . . . . 0.39 111.938 179.351 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 12.9 tptt . . . . . 0 N--CA 1.445 -0.725 0 CA-C-N 115.455 -0.793 . . . . 1.57 111.044 -178.837 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 19.9 ptp . . . . . 0 CA--C 1.537 0.465 0 N-CA-C 112.258 0.466 . . . . 1.56 112.258 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 5.1 t -59.84 -38.02 80.88 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 120.871 0.367 . . . . 1.23 111.556 179.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 91.3 mt -69.41 -41.46 76.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.128 0.489 . . . . 1.52 110.573 179.228 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' CYS . . . . . 0.612 ' O ' ' HG ' ' B' ' 10' ' ' LEU . 30.0 m -64.77 -52.03 59.12 Favored 'General case' 0 C--O 1.22 -0.494 0 CA-C-N 116.059 -0.519 . . . . 1.21 112.188 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . 0.479 ' O ' ' HG ' ' B' ' 11' ' ' LEU . 8.0 tp -58.47 -36.36 58.71 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.455 0 N-CA-C 108.917 -0.771 . . . . 1.2 108.917 179.609 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' SER . . . . . 0.452 ' N ' HG23 ' B' ' 7' ' ' ILE . 69.0 m -62.14 -27.98 69.32 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 109.1 -0.704 . . . . 0.66 109.1 176.157 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 1.9 t -87.54 -32.91 6.39 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.822 0 O-C-N 121.881 -0.512 . . . . 1.25 111.538 178.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . 0.612 ' HG ' ' O ' ' B' ' 6' ' ' CYS . 14.2 mt -64.65 -33.93 77.09 Favored 'General case' 0 CA--C 1.508 -0.653 0 N-CA-C 107.493 -1.299 . . . . 1.18 107.493 177.643 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.574 ' HA ' HG22 ' B' ' 14' ' ' THR . 4.1 pp -83.24 -35.44 25.36 Favored 'General case' 0 N--CA 1.441 -0.894 0 CA-C-N 114.097 -1.41 . . . . 1.2 110.509 177.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.02 -37.74 77.64 Favored 'General case' 0 CA--C 1.515 -0.398 0 N-CA-C 107.617 -1.253 . . . . 1.18 107.617 177.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . 0.408 ' O ' ' HG ' ' B' ' 17' ' ' LEU . 30.6 mt -67.8 -53.63 25.57 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.277 -0.874 . . . . 1.28 110.119 176.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' THR . . . . . 0.574 HG22 ' HA ' ' B' ' 11' ' ' LEU . 2.1 t -60.29 -45.21 94.14 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 116.587 -0.279 . . . . 1.14 111.707 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 74.7 t -63.07 -44.81 99.75 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.169 0 O-C-N 121.723 -0.61 . . . . 1.22 109.978 178.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . 0.458 ' O ' HG23 ' B' ' 20' ' ' ILE . 51.7 t80 -54.33 -38.68 66.28 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 108.495 -0.928 . . . . 0.83 108.495 177.764 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . 0.639 HD22 HD11 ' B' ' 20' ' ' ILE . 22.7 mt -68.85 -35.33 76.8 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.622 -0.717 . . . . 0.88 111.052 177.687 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . 0.584 ' C ' HD12 ' B' ' 18' ' ' LEU . 0.2 OUTLIER -64.79 -48.19 75.38 Favored 'General case' 0 N--CA 1.425 -1.703 0 CA-C-O 121.598 0.713 . . . . 1.26 110.141 179.829 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . 0.502 HD12 ' N ' ' B' ' 20' ' ' ILE . 1.5 pp -66.28 -49.81 65.83 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 114.921 -1.036 . . . . 0.67 111.65 -179.253 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . 0.639 HD11 HD22 ' B' ' 17' ' ' LEU . 32.7 pt -59.78 -24.65 29.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 C-N-CA 120.2 -0.6 . . . . 1.17 109.827 177.537 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' SER . . . . . 0.519 ' HB2' ' O ' ' B' ' 18' ' ' LEU . 15.9 m -71.06 -61.52 1.73 Allowed 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.595 -0.729 . . . . 0.54 111.235 178.44 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 5.5 tptp . . . . . 0 N--CA 1.445 -0.703 0 CA-C-N 115.699 -0.682 . . . . 1.61 111.332 -179.387 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 11.5 ptt? . . . . . 0 N--CA 1.467 0.391 0 N-CA-C 112.286 0.476 . . . . 1.89 112.286 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 3.4 t -52.68 -41.53 63.94 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 112.07 0.396 . . . . 1.78 112.07 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . 0.775 HD21 ' H ' ' B' ' 5' ' ' LEU . 1.3 pt? -68.33 -43.01 78.49 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-O 120.991 0.424 . . . . 1.93 110.85 179.013 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' CYS . . . . . . . . . . . . . 57.1 m -67.01 -47.74 70.52 Favored 'General case' 0 C--O 1.22 -0.48 0 N-CA-C 112.114 0.413 . . . . 1.47 112.114 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . 0.635 ' HA ' ' HG ' ' B' ' 10' ' ' LEU . 0.1 OUTLIER -60.44 -37.42 74.52 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.297 0 N-CA-C 108.197 -1.038 . . . . 1.39 108.197 179.568 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' SER . . . . . 0.474 ' N ' HG21 ' B' ' 7' ' ' ILE . 34.3 t -63.58 -26.93 68.91 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 109.372 -0.603 . . . . 1.47 109.372 175.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 2.1 t -87.89 -33.77 6.83 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.015 0 C-N-CA 120.444 -0.502 . . . . 1.76 111.883 179.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . 0.635 ' HG ' ' HA ' ' B' ' 7' ' ' ILE . 4.6 pp -69.04 -28.95 67.01 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 107.702 -1.221 . . . . 1.33 107.702 177.762 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' B' ' 7' ' ' ILE . 4.2 pp -83.48 -34.85 25.28 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 115.547 -0.751 . . . . 1.35 109.497 176.566 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' ALA . . . . . 0.451 ' HB2' ' O ' ' B' ' 8' ' ' SER . . . -60.07 -39.38 85.86 Favored 'General case' 0 CA--C 1.512 -0.498 0 N-CA-C 107.713 -1.218 . . . . 1.28 107.713 177.472 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . 0.416 ' O ' ' HG ' ' B' ' 17' ' ' LEU . 30.2 mt -66.21 -50.95 62.08 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.723 -0.671 . . . . 1.99 109.343 176.523 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 92.6 m -56.17 -54.61 43.12 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.923 -0.58 . . . . 1.45 111.739 178.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 0.48 ' HA ' HD21 ' B' ' 18' ' ' LEU . 89.3 t -59.21 -44.22 91.42 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.162 0 O-C-N 122.075 -0.391 . . . . 1.44 110.757 178.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . 0.433 ' CD1' HD11 ' B' ' 19' ' ' LEU . 51.1 t80 -53.52 -40.38 65.4 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 108.853 -0.795 . . . . 2.16 108.853 178.126 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . 0.539 ' HA ' HG12 ' B' ' 20' ' ' ILE . 21.8 mt -68.8 -35.11 76.6 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.888 -0.596 . . . . 1.98 110.985 177.742 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . 0.48 HD21 ' HA ' ' B' ' 15' ' ' VAL . 0.1 OUTLIER -65.47 -48.06 73.95 Favored 'General case' 0 N--CA 1.423 -1.799 0 CA-C-O 121.536 0.684 . . . . 1.41 109.965 179.872 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . 0.784 HD13 HG21 ' B' ' 20' ' ' ILE . 2.0 pp -66.24 -48.44 70.53 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 114.841 -1.072 . . . . 1.63 111.714 -179.229 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . 0.784 HG21 HD13 ' B' ' 19' ' ' LEU . 33.4 pt -61.21 -24.61 33.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 C-N-CA 120.115 -0.634 . . . . 1.98 109.765 177.673 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' SER . . . . . 0.468 ' HB2' ' O ' ' B' ' 18' ' ' LEU . 16.5 m -71.95 -62.65 1.35 Allowed 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 115.564 -0.744 . . . . 1.38 111.557 178.821 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 5.2 tptp . . . . . 0 N--CA 1.446 -0.63 0 CA-C-N 115.609 -0.723 . . . . 2.0 111.347 -179.265 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 18.0 ptm . . . . . 0 N--CA 1.47 0.572 0 N-CA-C 112.522 0.564 . . . . 1.32 112.522 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 3.9 t -54.88 -41.04 70.37 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 112.699 0.629 . . . . 1.12 112.699 -179.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . 0.747 HD22 ' H ' ' B' ' 5' ' ' LEU . 1.0 OUTLIER -68.78 -41.36 78.9 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 121.037 0.446 . . . . 1.35 111.198 179.423 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' CYS . . . . . 0.59 ' O ' ' HG ' ' B' ' 10' ' ' LEU . 32.7 m -64.29 -51.41 63.65 Favored 'General case' 0 C--O 1.22 -0.477 0 N-CA-C 112.286 0.476 . . . . 0.9 112.286 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . 0.45 ' HA ' ' HG ' ' B' ' 10' ' ' LEU . 15.0 tt -59.1 -35.48 57.55 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.513 0 N-CA-C 108.985 -0.746 . . . . 1.16 108.985 179.641 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 66.4 m -62.4 -27.64 69.23 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 108.877 -0.786 . . . . 0.42 108.877 176.039 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.508 ' HA ' ' HB2' ' B' ' 12' ' ' ALA . 1.8 t -87.61 -32.16 6.11 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.803 0 O-C-N 121.95 -0.469 . . . . 1.2 111.35 178.484 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . 0.59 ' HG ' ' O ' ' B' ' 6' ' ' CYS . 13.3 mt -64.69 -34.28 77.93 Favored 'General case' 0 CA--C 1.51 -0.592 0 N-CA-C 107.426 -1.324 . . . . 1.2 107.426 177.525 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' B' ' 7' ' ' ILE . 4.0 pp -83.36 -34.61 25.56 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 114.25 -1.341 . . . . 1.15 110.361 178.088 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' ALA . . . . . 0.508 ' HB2' ' HA ' ' B' ' 9' ' ' VAL . . . -59.97 -38.24 81.95 Favored 'General case' 0 CA--C 1.514 -0.411 0 N-CA-C 107.702 -1.221 . . . . 1.1 107.702 177.279 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . 0.403 ' O ' ' HG ' ' B' ' 17' ' ' LEU . 29.3 mt -67.3 -50.02 61.9 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.455 -0.793 . . . . 1.3 109.211 176.42 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' THR . . . . . 0.416 ' HA ' HD12 ' B' ' 17' ' ' LEU . 96.2 m -56.63 -54.44 46.0 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.94 -0.573 . . . . 1.18 111.721 178.784 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 0.622 ' HA ' HD23 ' B' ' 18' ' ' LEU . 87.1 t -58.68 -44.76 90.54 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.168 0 O-C-N 122.079 -0.388 . . . . 1.16 110.74 178.798 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . 0.565 ' O ' HD12 ' B' ' 19' ' ' LEU . 45.7 t80 -53.42 -40.86 65.48 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 108.967 -0.753 . . . . 1.01 108.967 178.299 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . 0.594 HD21 HD11 ' B' ' 20' ' ' ILE . 21.1 mt -68.69 -34.85 76.36 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.876 -0.602 . . . . 1.33 111.067 177.789 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . 0.622 HD23 ' HA ' ' B' ' 15' ' ' VAL . 0.2 OUTLIER -64.89 -48.29 74.77 Favored 'General case' 0 N--CA 1.423 -1.794 0 CA-C-O 121.61 0.719 . . . . 1.2 109.936 179.731 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . 0.609 HD12 HG23 ' B' ' 20' ' ' ILE . 1.4 pp -65.99 -52.43 49.48 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 115.06 -0.973 . . . . 1.13 111.555 -179.555 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . 0.609 HG23 HD12 ' B' ' 19' ' ' LEU . 32.0 pt -55.7 -25.5 18.43 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-N 118.703 0.683 . . . . 1.17 109.994 177.822 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' SER . . . . . 0.469 ' HB2' ' O ' ' B' ' 18' ' ' LEU . 31.1 m -73.68 -55.91 5.67 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.849 -0.614 . . . . 0.6 110.824 177.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.444 -0.772 0 CA-C-N 115.512 -0.767 . . . . 1.35 110.969 -179.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 15.1 ptp . . . . . 0 N--CA 1.469 0.517 0 N-CA-C 112.82 0.674 . . . . 1.87 112.82 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 4' ' ' THR . . . . . 0.424 HG22 ' N ' ' B' ' 5' ' ' LEU . 6.0 t -57.22 -38.39 73.67 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 111.923 0.342 . . . . 1.37 111.923 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . 0.424 ' N ' HG22 ' B' ' 4' ' ' THR . 89.1 mt -68.49 -44.42 74.78 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-O 121.24 0.543 . . . . 1.45 110.887 179.367 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' CYS . . . . . 0.61 ' O ' ' HG ' ' B' ' 10' ' ' LEU . 35.1 m -64.31 -51.31 64.09 Favored 'General case' 0 C--O 1.22 -0.494 0 N-CA-C 112.259 0.466 . . . . 1.0 112.259 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . 0.47 ' O ' ' HG ' ' B' ' 11' ' ' LEU . 8.7 tp -58.12 -37.85 64.42 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.426 0 N-CA-C 109.413 -0.588 . . . . 1.31 109.413 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' SER . . . . . 0.464 ' N ' HG22 ' B' ' 7' ' ' ILE . 9.0 p -62.78 -26.18 68.59 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 108.939 -0.763 . . . . 0.71 108.939 176.715 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.539 ' HA ' ' HB3' ' B' ' 12' ' ' ALA . 1.7 t -87.71 -33.02 6.39 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.829 0 C-N-CA 120.463 -0.495 . . . . 1.12 111.525 178.633 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . 0.61 ' HG ' ' O ' ' B' ' 6' ' ' CYS . 14.3 mt -64.85 -34.25 77.93 Favored 'General case' 0 CA--C 1.508 -0.654 0 N-CA-C 107.432 -1.321 . . . . 1.17 107.432 177.666 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' B' ' 7' ' ' ILE . 4.1 pp -83.35 -34.32 25.65 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 114.258 -1.337 . . . . 1.23 110.406 177.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' ALA . . . . . 0.539 ' HB3' ' HA ' ' B' ' 9' ' ' VAL . . . -60.04 -38.62 83.3 Favored 'General case' 0 CA--C 1.513 -0.469 0 N-CA-C 107.637 -1.246 . . . . 1.19 107.637 177.298 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 27.8 mt -67.32 -50.41 60.23 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.518 -0.765 . . . . 1.26 109.074 176.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' THR . . . . . 0.425 ' HB ' ' HA ' ' B' ' 11' ' ' LEU . 94.2 m -55.56 -55.02 36.82 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 115.79 -0.641 . . . . 1.58 111.65 178.763 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 0.624 HG13 HD23 ' B' ' 18' ' ' LEU . 91.8 t -59.22 -44.89 92.98 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.266 0 O-C-N 122.093 -0.379 . . . . 1.29 110.767 178.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . 0.589 ' O ' HD13 ' B' ' 19' ' ' LEU . 46.7 t80 -53.71 -37.76 63.61 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.426 0.632 . . . . 1.11 109.419 178.264 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . 0.559 ' O ' ' HB2' ' B' ' 21' ' ' SER . 21.1 mt -72.27 -33.68 67.64 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.009 -0.541 . . . . 1.23 110.977 177.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . 0.624 HD23 HG13 ' B' ' 15' ' ' VAL . 0.2 OUTLIER -66.07 -48.72 70.06 Favored 'General case' 0 N--CA 1.426 -1.635 0 CA-C-O 121.776 0.798 . . . . 1.28 109.768 179.682 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . 0.589 HD13 ' O ' ' B' ' 16' ' ' PHE . 2.6 pp -67.68 -44.55 77.53 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 114.639 -1.164 . . . . 1.29 110.943 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . 0.425 HD12 ' HA ' ' B' ' 20' ' ' ILE . 3.7 tp -64.37 -21.44 29.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 121.373 0.606 . . . . 1.4 109.977 178.109 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' SER . . . . . 0.559 ' HB2' ' O ' ' B' ' 17' ' ' LEU . 8.2 t -77.15 -59.07 2.93 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.461 -0.791 . . . . 1.0 111.52 179.543 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 4.7 mptp? . . . . . 0 N--CA 1.439 -1.025 0 CA-C-N 115.486 -0.779 . . . . 2.58 111.645 -178.905 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 15.4 ptm . . . . . 0 CA--C 1.542 0.669 0 N-CA-C 113.666 0.987 . . . . 1.31 113.666 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 88.8 m -54.62 -46.97 73.95 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 112.087 0.403 . . . . 1.3 112.087 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 94.0 mt -59.26 -42.55 91.42 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.184 0.516 . . . . 1.45 111.087 179.673 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 6' ' ' CYS . . . . . 0.596 ' O ' ' HG ' ' B' ' 10' ' ' LEU . 31.7 m -65.46 -50.85 63.82 Favored 'General case' 0 C--O 1.219 -0.529 0 CA-C-N 116.154 -0.475 . . . . 1.1 111.717 179.659 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . 0.471 HD11 HG23 ' B' ' 7' ' ' ILE . 0.4 OUTLIER -58.65 -36.04 58.16 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 N-CA-C 108.428 -0.953 . . . . 1.31 108.428 179.51 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 47.6 t -61.19 -28.68 69.31 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 109.097 -0.705 . . . . 0.97 109.097 176.079 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 1.5 t -88.26 -31.52 5.71 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.825 0 C-N-CA 120.404 -0.518 . . . . 1.17 111.397 178.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . 0.596 ' HG ' ' O ' ' B' ' 6' ' ' CYS . 14.4 mt -64.39 -34.46 78.22 Favored 'General case' 0 CA--C 1.509 -0.616 0 N-CA-C 107.438 -1.319 . . . . 1.3 107.438 177.578 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.898 ' HA ' HG23 ' B' ' 14' ' ' THR . 3.9 pp -82.56 -36.44 26.27 Favored 'General case' 0 N--CA 1.441 -0.921 0 CA-C-N 113.96 -1.473 . . . . 1.11 110.361 178.043 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.7 -37.43 76.09 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 107.784 -1.191 . . . . 1.08 107.784 177.396 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 33.7 mt -67.54 -55.41 13.6 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.573 -0.74 . . . . 1.27 110.242 176.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' THR . . . . . 0.898 HG23 ' HA ' ' B' ' 11' ' ' LEU . 5.8 t -59.23 -45.47 91.05 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 111.823 0.305 . . . . 1.15 111.823 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 0.696 ' N ' HG22 ' B' ' 14' ' ' THR . 76.1 t -62.08 -45.5 98.59 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.064 0 O-C-N 121.642 -0.661 . . . . 1.14 110.096 178.227 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . 0.446 ' CD1' HD13 ' B' ' 19' ' ' LEU . 49.9 t80 -54.82 -35.62 64.12 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 108.808 -0.812 . . . . 1.23 108.808 177.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . 0.579 HD12 ' HA ' ' B' ' 14' ' ' THR . 21.5 mt -72.95 -33.62 66.02 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.975 -0.557 . . . . 1.31 111.056 177.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . 0.581 ' C ' HD12 ' B' ' 18' ' ' LEU . 0.2 OUTLIER -65.56 -49.69 67.94 Favored 'General case' 0 N--CA 1.424 -1.76 0 CA-C-O 121.636 0.731 . . . . 1.15 109.522 179.711 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . 0.606 HD12 ' N ' ' B' ' 20' ' ' ILE . 2.1 pp -67.26 -48.83 66.55 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 114.917 -1.038 . . . . 1.16 110.987 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . 0.606 ' N ' HD12 ' B' ' 19' ' ' LEU . 4.6 tp -54.82 -27.74 19.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 109.705 -0.48 . . . . 1.24 109.705 177.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' SER . . . . . 0.455 ' HB2' ' O ' ' B' ' 18' ' ' LEU . 43.7 m -74.64 -51.92 13.11 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 115.753 -0.658 . . . . 0.48 110.477 177.612 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 14.3 tptt . . . . . 0 N--CA 1.444 -0.748 0 CA-C-N 115.16 -0.927 . . . . 1.63 110.09 179.625 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 18.1 ptm . . . . . 0 N--CA 1.466 0.357 0 N-CA-C 111.916 0.339 . . . . 1.57 111.916 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 7.1 t -57.68 -35.44 70.6 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 112.347 0.499 . . . . 1.16 112.347 -179.345 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 95.1 mt -70.52 -44.4 67.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.953 0.406 . . . . 1.31 111.251 179.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 6' ' ' CYS . . . . . . . . . . . . . 39.8 m -64.08 -49.02 73.9 Favored 'General case' 0 C--O 1.221 -0.4 0 N-CA-C 112.467 0.543 . . . . 0.92 112.467 -179.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . 0.713 ' HA ' HD23 ' B' ' 10' ' ' LEU . 5.3 tp -58.06 -41.7 81.12 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.498 0 N-CA-C 108.562 -0.903 . . . . 1.21 108.562 179.488 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 66.5 m -61.79 -27.07 68.49 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.839 -0.619 . . . . 0.44 109.834 176.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.461 ' HA ' ' HB2' ' B' ' 12' ' ' ALA . 2.1 t -88.47 -34.88 7.35 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.901 0 O-C-N 121.851 -0.531 . . . . 1.24 112.409 179.695 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . 0.713 HD23 ' HA ' ' B' ' 7' ' ' ILE . 4.4 pp -68.65 -29.06 67.46 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 107.682 -1.229 . . . . 1.21 107.682 178.042 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.542 ' HG ' ' O ' ' B' ' 7' ' ' ILE . 4.3 pp -83.65 -34.85 24.93 Favored 'General case' 0 N--CA 1.443 -0.805 0 CA-C-N 115.381 -0.827 . . . . 1.1 109.788 176.69 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' ALA . . . . . 0.461 ' HB2' ' HA ' ' B' ' 9' ' ' VAL . . . -59.94 -39.14 84.53 Favored 'General case' 0 CA--C 1.512 -0.503 0 N-CA-C 107.725 -1.213 . . . . 1.14 107.725 177.399 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . 0.408 ' O ' ' HG ' ' B' ' 17' ' ' LEU . 30.0 mt -66.25 -49.75 66.11 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.477 -0.783 . . . . 1.28 109.32 176.439 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 98.3 m -57.12 -54.7 43.79 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.912 -0.586 . . . . 1.08 111.829 178.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 0.593 ' HA ' HD23 ' B' ' 18' ' ' LEU . 83.6 t -58.49 -44.55 89.26 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.169 0 O-C-N 122.104 -0.372 . . . . 1.18 110.846 178.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . 0.435 ' O ' HG22 ' B' ' 20' ' ' ILE . 48.7 t80 -53.24 -41.25 65.24 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.095 -0.706 . . . . 0.97 109.095 178.194 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . 0.603 ' O ' ' HB2' ' B' ' 21' ' ' SER . 22.6 mt -68.15 -34.48 76.42 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.89 -0.596 . . . . 1.23 111.176 177.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . 0.593 HD23 ' HA ' ' B' ' 15' ' ' VAL . 0.2 OUTLIER -65.49 -48.12 73.69 Favored 'General case' 0 N--CA 1.423 -1.777 0 CA-C-O 121.625 0.726 . . . . 1.17 110.046 179.819 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . 0.431 ' N ' ' HG ' ' B' ' 18' ' ' LEU . 1.6 pp -66.38 -49.54 66.5 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 114.899 -1.046 . . . . 1.18 111.649 -179.327 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . 0.538 HG12 ' HA ' ' B' ' 17' ' ' LEU . 32.1 pt -61.81 -23.2 30.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 C-N-CA 120.215 -0.594 . . . . 1.25 109.968 177.667 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' SER . . . . . 0.603 ' HB2' ' O ' ' B' ' 17' ' ' LEU . 7.9 t -71.32 -61.83 1.63 Allowed 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.578 -0.737 . . . . 0.83 111.076 179.426 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 1.1 tptm . . . . . 0 N--CA 1.444 -0.757 0 CA-C-N 115.221 -0.899 . . . . 1.4 111.306 -179.403 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 3' ' ' MET . . . . . 0.431 ' HB3' ' HE3' ' B' ' 3' ' ' MET . 19.8 ptp . . . . . 0 CA--C 1.537 0.474 0 N-CA-C 112.272 0.471 . . . . 1.72 112.272 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 20.7 m -58.18 -46.9 84.94 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-O 120.887 0.375 . . . . 1.36 111.739 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . 0.584 HD23 ' H ' ' B' ' 5' ' ' LEU . 0.9 OUTLIER -66.53 -38.13 86.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.969 0.414 . . . . 1.64 110.97 179.133 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 6' ' ' CYS . . . . . 0.587 ' O ' ' HG ' ' B' ' 10' ' ' LEU . 30.8 m -65.57 -52.6 51.01 Favored 'General case' 0 C--O 1.22 -0.484 0 N-CA-C 112.277 0.473 . . . . 1.0 112.277 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . 0.44 ' HA ' ' HG ' ' B' ' 10' ' ' LEU . 15.3 tt -59.49 -35.52 59.38 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.524 0 N-CA-C 108.925 -0.769 . . . . 1.36 108.925 179.586 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 43.7 t -61.95 -28.22 69.39 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 108.792 -0.818 . . . . 1.12 108.792 175.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.543 ' HA ' ' HB3' ' B' ' 12' ' ' ALA . 1.5 t -87.13 -31.9 6.17 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.747 0 C-N-CA 120.474 -0.49 . . . . 1.28 111.422 178.649 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . 0.587 ' HG ' ' O ' ' B' ' 6' ' ' CYS . 14.3 mt -64.83 -34.49 78.5 Favored 'General case' 0 CA--C 1.509 -0.61 0 N-CA-C 107.496 -1.298 . . . . 1.24 107.496 177.659 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' B' ' 7' ' ' ILE . 4.0 pp -83.01 -34.48 26.29 Favored 'General case' 0 C--O 1.213 -0.824 0 CA-C-N 114.06 -1.427 . . . . 1.23 110.235 178.095 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' ALA . . . . . 0.543 ' HB3' ' HA ' ' B' ' 9' ' ' VAL . . . -60.02 -38.66 83.33 Favored 'General case' 0 CA--C 1.515 -0.393 0 N-CA-C 107.756 -1.201 . . . . 1.12 107.756 177.253 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 29.9 mt -66.64 -50.48 62.81 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.346 -0.843 . . . . 1.35 109.441 176.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 89.8 m -57.49 -54.32 48.17 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.881 -0.6 . . . . 1.29 111.66 178.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 0.718 HG13 HD23 ' B' ' 18' ' ' LEU . 54.6 t -56.71 -47.97 81.63 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.153 0 O-C-N 122.21 -0.306 . . . . 1.19 110.542 178.656 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . 0.826 ' HA ' HD11 ' B' ' 19' ' ' LEU . 28.0 t80 -51.93 -42.85 63.14 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.281 -0.637 . . . . 1.01 109.281 178.49 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 24.1 mt -68.01 -26.68 66.02 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 116.126 -0.488 . . . . 1.27 111.064 177.596 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . 0.718 HD23 HG13 ' B' ' 15' ' ' VAL . 0.1 OUTLIER -64.61 -53.97 39.31 Favored 'General case' 0 N--CA 1.416 -2.152 0 N-CA-C 109.223 -0.658 . . . . 1.28 109.223 179.053 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . 0.826 HD11 ' HA ' ' B' ' 16' ' ' PHE . 0.0 OUTLIER -70.14 -36.07 74.5 Favored 'General case' 0 C--O 1.217 -0.616 0 C-N-CA 118.124 -1.43 . . . . 1.19 111.285 179.786 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . 0.473 HG12 ' O ' ' B' ' 16' ' ' PHE . 13.6 mm -55.81 -33.37 34.32 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 N-CA-C 108.833 -0.802 . . . . 1.21 108.833 176.218 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' SER . . . . . 0.414 ' HB2' ' O ' ' B' ' 18' ' ' LEU . 73.2 m -72.93 -49.06 31.76 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 115.003 -0.999 . . . . 0.69 110.466 177.751 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 6.9 tptp . . . . . 0 N--CA 1.445 -0.712 0 CA-C-N 115.006 -0.997 . . . . 1.75 110.08 179.801 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 3' ' ' MET . . . . . 0.443 ' HE2' ' HB ' ' B' ' 7' ' ' ILE . 15.5 ptm . . . . . 0 N--CA 1.467 0.413 0 CA-C-O 120.884 0.373 . . . . 1.41 111.745 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 4' ' ' THR . . . . . 0.469 HG23 ' N ' ' B' ' 5' ' ' LEU . 11.6 t -57.89 -37.16 73.48 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 115.995 -0.548 . . . . 1.28 112.267 -179.411 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . 0.469 ' N ' HG23 ' B' ' 4' ' ' THR . 94.8 mt -70.41 -43.5 69.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.017 0.436 . . . . 1.49 111.153 179.612 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 6' ' ' CYS . . . . . . . . . . . . . 35.9 m -63.47 -49.46 73.53 Favored 'General case' 0 C--O 1.222 -0.357 0 N-CA-C 112.596 0.591 . . . . 1.15 112.596 -179.61 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . 0.688 ' HA ' ' HG ' ' B' ' 10' ' ' LEU . 14.0 tt -60.26 -38.61 78.02 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.564 0 N-CA-C 108.806 -0.812 . . . . 1.27 108.806 179.596 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' SER . . . . . 0.414 ' N ' HG21 ' B' ' 7' ' ' ILE . 67.6 m -61.57 -26.96 68.29 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 109.187 -0.671 . . . . 0.42 109.187 176.107 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.454 ' HA ' ' HB1' ' B' ' 12' ' ' ALA . 2.1 t -88.06 -34.46 7.23 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.922 0 C-N-CA 120.447 -0.501 . . . . 1.22 112.051 179.191 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . 0.688 ' HG ' ' HA ' ' B' ' 7' ' ' ILE . 4.7 pp -68.35 -28.7 67.37 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 107.839 -1.171 . . . . 1.25 107.839 178.069 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.526 ' HG ' ' O ' ' B' ' 7' ' ' ILE . 4.1 pp -84.67 -34.84 22.93 Favored 'General case' 0 N--CA 1.442 -0.836 0 CA-C-N 115.533 -0.758 . . . . 1.11 109.763 176.845 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' ALA . . . . . 0.454 ' HB1' ' HA ' ' B' ' 9' ' ' VAL . . . -59.72 -39.19 83.83 Favored 'General case' 0 CA--C 1.513 -0.472 0 N-CA-C 107.645 -1.242 . . . . 1.11 107.645 177.318 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . 0.415 ' O ' ' HG ' ' B' ' 17' ' ' LEU . 32.5 mt -66.52 -50.28 63.75 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.418 -0.81 . . . . 1.36 109.25 176.526 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 94.6 m -56.4 -54.46 45.35 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.988 -0.551 . . . . 1.27 111.876 178.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 0.803 HG11 HD23 ' B' ' 18' ' ' LEU . 82.3 t -59.28 -44.07 91.35 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.184 0 O-C-N 122.123 -0.361 . . . . 1.12 110.921 178.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . 0.514 ' O ' HG23 ' B' ' 20' ' ' ILE . 23.9 t80 -53.93 -40.22 66.55 Favored 'General case' 0 C--O 1.225 -0.232 0 N-CA-C 108.819 -0.808 . . . . 2.56 108.819 178.419 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . 0.646 HD22 HD13 ' B' ' 20' ' ' ILE . 22.8 mt -68.77 -35.4 77.02 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.766 -0.652 . . . . 1.33 111.003 177.553 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . 0.803 HD23 HG11 ' B' ' 15' ' ' VAL . 0.1 OUTLIER -63.56 -48.96 75.31 Favored 'General case' 0 N--CA 1.422 -1.834 0 CA-C-O 121.532 0.682 . . . . 1.18 109.787 179.685 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . 0.56 HD13 ' N ' ' B' ' 20' ' ' ILE . 1.7 pp -66.42 -50.9 61.85 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 115.175 -0.921 . . . . 0.85 111.925 -179.498 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . 0.646 HD13 HD22 ' B' ' 17' ' ' LEU . 33.6 pt -54.88 -26.98 18.1 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-N 118.989 0.813 . . . . 1.26 109.765 177.839 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' SER . . . . . 0.432 ' HB2' ' O ' ' B' ' 18' ' ' LEU . 69.7 m -75.09 -51.78 12.64 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.56 -0.745 . . . . 0.67 110.266 177.308 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . 0.507 ' HD2' ' HA ' ' B' ' 19' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.447 -0.583 0 CA-C-N 115.447 -0.797 . . . . 1.23 111.976 -179.786 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 17.4 ptp . . . . . 0 CA--C 1.538 0.504 0 N-CA-C 112.193 0.442 . . . . 2.02 112.193 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 4' ' ' THR . . . . . 0.401 HG23 ' N ' ' B' ' 5' ' ' LEU . 5.7 t -56.97 -38.82 73.54 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 120.934 0.397 . . . . 1.3 111.88 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . 0.401 ' N ' HG23 ' B' ' 4' ' ' THR . 89.4 mt -69.37 -41.54 76.4 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 121.134 0.493 . . . . 1.48 110.691 179.004 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 6' ' ' CYS . . . . . 0.608 ' O ' ' HG ' ' B' ' 10' ' ' LEU . 20.4 m -64.16 -52.64 58.04 Favored 'General case' 0 C--O 1.222 -0.385 0 CA-C-N 115.984 -0.553 . . . . 1.17 112.247 -179.795 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . 0.471 ' O ' ' HG ' ' B' ' 11' ' ' LEU . 7.9 tp -58.05 -36.69 57.79 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.444 0 N-CA-C 108.886 -0.783 . . . . 1.41 108.886 179.605 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' SER . . . . . 0.508 ' HA ' HD22 ' B' ' 11' ' ' LEU . 71.3 m -61.68 -28.16 69.2 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 109.273 -0.64 . . . . 0.85 109.273 176.146 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 1.8 t -87.43 -32.56 6.31 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.807 0 C-N-CA 120.439 -0.504 . . . . 1.29 111.387 178.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . 0.608 ' HG ' ' O ' ' B' ' 6' ' ' CYS . 14.2 mt -64.99 -34.06 77.53 Favored 'General case' 0 CA--C 1.509 -0.632 0 N-CA-C 107.545 -1.279 . . . . 1.4 107.545 177.664 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.508 HD22 ' HA ' ' B' ' 8' ' ' SER . 4.1 pp -83.15 -34.73 25.97 Favored 'General case' 0 C--O 1.213 -0.82 0 CA-C-N 114.132 -1.395 . . . . 1.38 110.265 178.115 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' ALA . . . . . 0.422 ' HB2' ' O ' ' B' ' 8' ' ' SER . . . -59.9 -39.41 85.27 Favored 'General case' 0 CA--C 1.515 -0.386 0 N-CA-C 107.528 -1.286 . . . . 1.22 107.528 177.288 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . 0.405 ' O ' ' HG ' ' B' ' 17' ' ' LEU . 30.0 mt -65.77 -50.54 64.37 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.449 -0.796 . . . . 1.3 109.295 176.492 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' THR . . . . . 0.455 ' HA ' HD11 ' B' ' 17' ' ' LEU . 93.9 m -56.85 -54.28 48.23 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.916 -0.584 . . . . 1.27 112.031 178.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 0.877 HG12 HD22 ' B' ' 18' ' ' LEU . 82.2 t -58.51 -46.03 89.95 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.143 0 O-C-N 122.057 -0.402 . . . . 1.38 110.958 179.141 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . 0.452 ' O ' HD12 ' B' ' 19' ' ' LEU . 2.9 m-30 -54.24 -39.95 67.28 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-O 121.435 0.636 . . . . 1.27 109.299 178.136 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . 0.666 HD21 HD13 ' B' ' 20' ' ' ILE . 22.9 mt -66.69 -35.23 79.63 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.123 -0.49 . . . . 1.29 110.981 177.503 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . 0.877 HD22 HG12 ' B' ' 15' ' ' VAL . 0.2 OUTLIER -63.72 -49.71 72.02 Favored 'General case' 0 N--CA 1.423 -1.791 0 CA-C-O 121.445 0.64 . . . . 1.34 110.146 179.845 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . 0.787 HD12 HG23 ' B' ' 20' ' ' ILE . 1.4 pp -66.37 -44.9 81.87 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.003 -0.998 . . . . 1.4 112.401 -179.246 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . 0.787 HG23 HD12 ' B' ' 19' ' ' LEU . 33.5 pt -64.96 -21.87 30.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 C-N-CA 120.251 -0.58 . . . . 1.28 110.068 178.061 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 75.4 m -86.99 -55.66 3.73 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 115.935 -0.575 . . . . 0.54 112.062 179.696 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 12.7 mptt . . . . . 0 N--CA 1.448 -0.548 0 CA-C-N 115.986 -0.552 . . . . 1.74 112.331 -178.611 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' GLU . . . . . 1.027 ' HB2' ' HB ' ' B' ' 4' ' ' THR . 2.6 mp0 . . . . . 0 N--CA 1.495 1.78 0 CA-C-O 121.005 0.431 . . . . 0.9 111.326 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 57.7 pttt -63.51 -21.7 66.47 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.244 -0.889 . . . . 2.11 111.485 179.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 12.0 ptt? -131.58 25.19 4.76 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.841 -0.618 . . . . 1.56 111.53 -179.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' THR . . . . . 1.027 ' HB ' ' HB2' ' B' ' 1' ' ' GLU . 12.3 t -56.86 -38.18 72.35 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 115.988 -0.551 . . . . 1.15 112.197 -179.306 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.573 ' N ' HG21 ' B' ' 4' ' ' THR . 93.7 mt -69.72 -43.74 71.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.895 0.379 . . . . 1.31 111.298 179.522 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' CYS . . . . . . . . . . . . . 28.5 m -63.88 -50.53 68.42 Favored 'General case' 0 C--O 1.223 -0.336 0 N-CA-C 112.6 0.593 . . . . 1.17 112.6 -179.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . 0.677 ' HA ' ' HG ' ' B' ' 10' ' ' LEU . 14.9 tt -60.05 -38.82 78.36 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.5 0 N-CA-C 108.809 -0.811 . . . . 1.22 108.809 179.646 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' SER . . . . . 0.434 ' N ' HG23 ' B' ' 7' ' ' ILE . 36.9 t -61.22 -26.8 67.98 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 108.944 -0.761 . . . . 1.08 108.944 176.282 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 1.8 t -88.82 -34.7 7.11 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.853 0 O-C-N 121.962 -0.461 . . . . 1.14 112.238 179.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . 0.677 ' HG ' ' HA ' ' B' ' 7' ' ' ILE . 4.7 pp -67.77 -28.87 67.98 Favored 'General case' 0 C--O 1.238 0.468 0 N-CA-C 107.88 -1.156 . . . . 1.17 107.88 177.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.982 ' HA ' HG23 ' B' ' 14' ' ' THR . 4.1 pp -84.56 -35.61 22.69 Favored 'General case' 0 N--CA 1.439 -0.995 0 CA-C-N 115.204 -0.907 . . . . 1.14 109.967 176.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.26 -38.26 79.64 Favored 'General case' 0 CA--C 1.514 -0.404 0 N-CA-C 107.685 -1.228 . . . . 1.08 107.685 177.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.402 ' O ' ' HG ' ' B' ' 17' ' ' LEU . 32.1 mt -66.97 -54.32 23.03 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.439 -0.8 . . . . 1.18 110.309 176.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' THR . . . . . 0.982 HG23 ' HA ' ' B' ' 11' ' ' LEU . 4.4 t -59.96 -45.93 91.06 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 111.832 0.308 . . . . 1.19 111.832 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.835 HG11 HD22 ' B' ' 18' ' ' LEU . 71.4 t -62.18 -44.82 99.53 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.168 0 O-C-N 121.557 -0.714 . . . . 1.12 110.078 178.427 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . 0.472 ' O ' HD13 ' B' ' 19' ' ' LEU . 49.0 t80 -54.42 -38.42 66.24 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 108.557 -0.905 . . . . 0.76 108.557 177.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.64 HD13 ' HA ' ' B' ' 14' ' ' THR . 21.4 mt -69.03 -35.46 76.65 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.828 -0.623 . . . . 1.15 111.096 177.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . 0.835 HD22 HG11 ' B' ' 15' ' ' VAL . 0.2 OUTLIER -63.95 -49.07 74.02 Favored 'General case' 0 N--CA 1.422 -1.859 0 CA-C-O 121.393 0.616 . . . . 1.19 109.977 179.708 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . 0.846 ' O ' HG12 ' B' ' 23' ' ' ILE . 1.8 pp -66.7 -49.43 66.1 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.099 -0.955 . . . . 1.1 112.167 -179.232 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . 0.56 HG12 ' HA ' ' B' ' 17' ' ' LEU . 36.4 pt -56.41 -27.3 24.32 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 CA-C-N 118.811 0.732 . . . . 1.12 109.327 177.722 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 64.0 m -76.43 -53.15 8.53 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.489 -0.778 . . . . 0.37 109.836 177.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . 0.433 ' HA ' ' HD2' ' B' ' 22' ' ' LYS . 7.3 tptp -58.16 -27.05 63.45 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.19 -0.914 . . . . 0.7 112.383 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.846 HG12 ' O ' ' B' ' 19' ' ' LEU . 10.8 mm -41.48 -50.57 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 N-CA-C 113.25 0.833 . . . . 1.15 113.25 -179.59 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . 0.926 ' HB ' ' HD3' ' B' ' 25' ' ' PRO . 40.6 t -70.55 -63.6 1.6 Allowed Pre-proline 0 CA--C 1.543 0.701 0 N-CA-C 111.766 0.284 . . . . 1.27 111.766 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . 0.926 ' HD3' ' HB ' ' B' ' 24' ' ' VAL . 66.6 Cg_endo -99.13 95.91 0.06 OUTLIER 'Trans proline' 0 C--N 1.356 0.927 0 C-N-CA 123.293 2.662 . . . . 0.62 112.684 179.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' PRO . . . . . 0.612 ' HD3' ' O ' ' B' ' 24' ' ' VAL . 5.2 Cg_exo -77.37 -61.91 0.03 OUTLIER 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.539 2.159 . . . . 0.87 112.889 -179.624 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 51.1 p -78.88 58.07 2.28 Favored 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 112.438 0.532 . . . . 1.39 112.438 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' SER . . . . . 0.47 ' OG ' ' HB2' ' B' ' 25' ' ' PRO . 83.8 p . . . . . 0 C--O 1.253 1.263 0 CA-C-O 117.955 -1.021 . . . . 1.29 111.043 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 16.7 pm0 . . . . . 0 N--CA 1.489 1.519 0 CA-C-O 121.016 0.436 . . . . 1.15 111.482 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 59.4 pttt -67.69 -23.25 65.28 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.38 0.609 . . . . 2.15 110.538 179.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 22.4 ptt? -88.58 15.42 8.08 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 115.491 -0.777 . . . . 1.5 111.784 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' THR . . . . . 0.556 HG21 ' N ' ' B' ' 5' ' ' LEU . 6.3 t -57.62 -35.05 69.95 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 112.505 0.558 . . . . 1.23 112.505 -178.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.556 ' N ' HG21 ' B' ' 4' ' ' THR . 95.6 mt -68.5 -41.98 79.26 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-O 121.423 0.63 . . . . 1.53 110.802 179.203 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' CYS . . . . . . . . . . . . . 44.8 m -65.94 -49.72 66.95 Favored 'General case' 0 C--O 1.221 -0.395 0 CA-C-N 115.8 -0.636 . . . . 1.24 112.434 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . 0.708 ' HA ' ' HG ' ' B' ' 10' ' ' LEU . 19.0 tt -60.17 -36.69 69.71 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.411 0 N-CA-C 109.008 -0.738 . . . . 2.0 109.008 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 69.6 m -62.33 -28.11 69.52 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 108.957 -0.757 . . . . 0.58 108.957 175.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 2.0 t -87.09 -33.81 7.13 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.958 0 C-N-CA 120.5 -0.48 . . . . 1.32 111.905 179.055 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . 0.708 ' HG ' ' HA ' ' B' ' 7' ' ' ILE . 4.6 pp -68.68 -28.97 67.33 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 107.851 -1.166 . . . . 1.27 107.851 177.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.517 ' HG ' ' O ' ' B' ' 7' ' ' ILE . 4.2 pp -84.51 -34.21 23.37 Favored 'General case' 0 N--CA 1.442 -0.856 0 CA-C-N 115.425 -0.807 . . . . 1.22 109.802 176.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.13 -39.53 86.62 Favored 'General case' 0 CA--C 1.512 -0.485 0 N-CA-C 107.527 -1.286 . . . . 1.24 107.527 177.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 30.7 mt -66.15 -50.0 65.5 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.475 -0.784 . . . . 1.35 109.352 176.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 99.3 m -56.83 -54.78 42.45 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.983 -0.553 . . . . 1.3 111.839 178.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.576 HG13 HD21 ' B' ' 18' ' ' LEU . 77.7 t -58.43 -44.67 89.3 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.15 0 O-C-N 122.212 -0.305 . . . . 1.18 110.809 178.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . 0.459 ' CD1' HD12 ' B' ' 19' ' ' LEU . 42.2 t80 -53.95 -40.05 66.48 Favored 'General case' 0 C--O 1.223 -0.314 0 N-CA-C 109.197 -0.668 . . . . 0.87 109.197 178.434 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 21.6 mt -70.71 -32.02 69.07 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.101 -0.499 . . . . 1.34 111.186 177.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . 0.576 HD21 HG13 ' B' ' 15' ' ' VAL . 0.1 OUTLIER -66.32 -49.08 68.24 Favored 'General case' 0 N--CA 1.424 -1.76 0 CA-C-O 121.618 0.723 . . . . 1.32 109.548 179.667 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . 0.791 ' O ' HG13 ' B' ' 23' ' ' ILE . 1.6 pp -66.58 -48.24 70.21 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.011 -0.995 . . . . 1.11 110.31 179.652 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . 0.565 ' N ' HD11 ' B' ' 19' ' ' LEU . 11.9 mm -52.45 -31.51 15.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.373 0.606 . . . . 1.27 109.401 176.657 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' SER . . . . . 0.508 ' HB2' ' O ' ' B' ' 18' ' ' LEU . 58.6 m -72.99 -51.43 18.3 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.373 -0.83 . . . . 0.73 111.001 177.694 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 6.5 tptp -59.65 -38.47 81.49 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 115.751 -0.659 . . . . 1.85 110.2 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.791 HG13 ' O ' ' B' ' 19' ' ' LEU . 26.6 mt -71.63 -50.67 37.75 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 CA-C-N 115.823 -0.626 . . . . 1.43 111.962 179.454 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 43.8 t -116.64 112.58 40.83 Favored Pre-proline 0 CA--C 1.533 0.294 0 CA-C-O 120.88 0.371 . . . . 1.55 111.008 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 7.1 Cg_exo -74.46 127.16 10.83 Favored 'Trans proline' 0 CA--C 1.532 0.387 0 C-N-CA 123.028 2.485 . . . . 1.4 112.871 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -63.11 -42.3 23.98 Favored 'Trans proline' 0 CA--C 1.533 0.444 0 C-N-CA 122.194 1.93 . . . . 2.29 112.342 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 81.9 p -76.75 -37.09 56.56 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.407 -0.36 . . . . 2.27 111.207 179.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 41.3 t . . . . . 0 C--O 1.253 1.269 0 CA-C-N 115.413 -0.812 . . . . 2.55 111.777 -178.891 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 17.3 pm0 . . . . . 0 N--CA 1.488 1.464 0 CA-C-O 120.962 0.41 . . . . 1.22 111.28 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -67.9 -23.16 65.08 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.29 0.567 . . . . 2.21 110.592 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 15.0 ptp -90.38 19.12 5.43 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 115.564 -0.744 . . . . 1.64 111.613 179.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' THR . . . . . 0.541 HG22 ' N ' ' B' ' 5' ' ' LEU . 5.6 t -57.89 -34.91 70.29 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 112.302 0.482 . . . . 1.45 112.302 -179.009 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.541 ' N ' HG22 ' B' ' 4' ' ' THR . 95.9 mt -71.11 -39.71 71.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.392 0.615 . . . . 1.6 110.444 178.738 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' CYS . . . . . 0.619 ' O ' ' HG ' ' B' ' 10' ' ' LEU . 20.9 m -65.04 -52.07 57.94 Favored 'General case' 0 C--O 1.218 -0.6 0 CA-C-N 115.823 -0.626 . . . . 1.12 111.96 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . 0.463 ' O ' ' HG ' ' B' ' 11' ' ' LEU . 1.3 tp -56.91 -37.32 53.62 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 N-CA-C 108.717 -0.845 . . . . 1.79 108.717 179.347 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 67.0 m -61.49 -29.04 69.72 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 109.42 -0.585 . . . . 0.51 109.42 176.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.441 ' HA ' ' HB2' ' B' ' 12' ' ' ALA . 1.8 t -87.3 -32.19 6.22 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.836 0 O-C-N 121.845 -0.535 . . . . 1.24 111.432 178.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . 0.619 ' HG ' ' O ' ' B' ' 6' ' ' CYS . 13.6 mt -64.88 -34.53 78.6 Favored 'General case' 0 CA--C 1.507 -0.693 0 N-CA-C 107.406 -1.331 . . . . 1.18 107.406 177.533 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' B' ' 7' ' ' ILE . 4.1 pp -82.91 -34.38 26.63 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 114.212 -1.358 . . . . 1.14 110.388 178.136 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . 0.441 ' HB2' ' HA ' ' B' ' 9' ' ' VAL . . . -59.94 -39.06 84.25 Favored 'General case' 0 CA--C 1.512 -0.483 0 N-CA-C 107.544 -1.28 . . . . 1.13 107.544 177.115 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 28.2 mt -66.07 -50.85 62.67 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.563 -0.744 . . . . 1.29 109.221 176.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 92.4 m -56.11 -54.41 45.4 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.88 -0.6 . . . . 1.24 111.823 178.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.421 ' CG1' HD21 ' B' ' 18' ' ' LEU . 83.1 t -58.45 -46.2 89.66 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.13 0 O-C-N 122.177 -0.327 . . . . 1.21 110.987 178.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . 0.413 ' O ' HG12 ' B' ' 20' ' ' ILE . 3.0 m-30 -54.69 -38.15 66.65 Favored 'General case' 0 C--O 1.221 -0.408 0 CA-C-O 121.416 0.627 . . . . 0.99 109.506 178.268 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 20.6 mt -70.49 -32.26 69.71 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.349 -0.387 . . . . 1.35 110.943 177.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . 0.549 ' C ' HD13 ' B' ' 18' ' ' LEU . 0.2 OUTLIER -66.35 -48.72 69.3 Favored 'General case' 0 N--CA 1.427 -1.62 0 CA-C-O 121.605 0.717 . . . . 1.26 109.669 179.491 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . 0.469 HD13 HG12 ' B' ' 20' ' ' ILE . 1.6 pp -67.16 -45.85 75.77 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 114.892 -1.049 . . . . 1.27 110.538 179.784 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . 0.504 ' O ' HG21 ' B' ' 20' ' ' ILE . 13.8 mm -58.55 -27.09 32.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 121.443 0.64 . . . . 1.39 109.496 176.776 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' SER . . . . . 0.518 ' HB2' ' O ' ' B' ' 18' ' ' LEU . 29.8 m -73.22 -61.03 1.96 Allowed 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.634 -0.712 . . . . 0.88 111.562 178.431 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 13.4 tptt -65.21 -41.46 94.45 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.835 -0.62 . . . . 1.88 111.026 -179.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.452 HG13 ' O ' ' B' ' 19' ' ' LEU . 2.4 mt -95.44 60.42 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.953 -0.567 . . . . 1.46 112.238 -179.423 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . 0.431 HG13 ' O ' ' B' ' 21' ' ' SER . 5.7 m -64.74 136.02 96.61 Favored Pre-proline 0 CA--C 1.537 0.467 0 CA-C-O 121.095 0.474 . . . . 1.43 112.078 179.668 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_exo -66.96 133.23 30.49 Favored 'Trans proline' 0 CA--C 1.535 0.569 0 C-N-CA 122.793 2.329 . . . . 1.53 112.957 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -75.44 47.33 1.82 Allowed 'Trans proline' 0 CA--C 1.537 0.664 0 C-N-CA 122.764 2.31 . . . . 1.86 112.954 179.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 81.7 p -80.71 72.55 7.67 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.133 0.492 . . . . 2.3 111.655 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 77.1 p . . . . . 0 C--O 1.248 0.978 0 CA-C-O 118.277 -0.868 . . . . 3.93 111.661 -179.557 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' GLU . . . . . 0.765 ' HG2' ' HG2' ' B' ' 2' ' ' LYS . 0.2 OUTLIER . . . . . 0 N--CA 1.493 1.69 0 CA-C-O 119.241 -0.409 . . . . 2.62 111.653 . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . 0.765 ' HG2' ' HG2' ' B' ' 1' ' ' GLU . 0.7 OUTLIER 61.87 -51.24 0.14 Allowed 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 124.603 1.161 . . . . 2.38 112.52 -179.874 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 22.5 ptt? -86.19 9.88 16.21 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.444 -0.798 . . . . 1.97 111.456 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 3.3 t -58.63 -41.02 85.0 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.967 -0.561 . . . . 1.21 111.725 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 90.2 mt -68.96 -42.07 77.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.3 0.572 . . . . 1.48 110.667 179.217 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' CYS . . . . . 0.579 ' O ' ' HG ' ' B' ' 10' ' ' LEU . 23.2 m -63.99 -52.0 61.66 Favored 'General case' 0 C--O 1.22 -0.474 0 CA-C-N 115.967 -0.56 . . . . 1.06 112.28 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . 0.458 ' HA ' ' HG ' ' B' ' 10' ' ' LEU . 15.1 tt -58.85 -35.58 56.9 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.463 0 N-CA-C 109.065 -0.717 . . . . 1.35 109.065 179.733 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 44.1 t -61.52 -28.14 69.11 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 108.85 -0.796 . . . . 1.07 108.85 175.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 1.6 t -88.08 -32.03 5.93 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.921 0 C-N-CA 120.679 -0.409 . . . . 1.21 111.578 178.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . 0.579 ' HG ' ' O ' ' B' ' 6' ' ' CYS . 14.3 mt -64.39 -34.46 78.22 Favored 'General case' 0 CA--C 1.508 -0.661 0 N-CA-C 107.583 -1.266 . . . . 1.27 107.583 177.651 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' B' ' 7' ' ' ILE . 3.8 pp -83.38 -35.82 24.8 Favored 'General case' 0 N--CA 1.442 -0.832 0 CA-C-N 114.033 -1.44 . . . . 1.19 110.227 177.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.67 -37.81 76.83 Favored 'General case' 0 CA--C 1.512 -0.489 0 N-CA-C 107.668 -1.234 . . . . 1.12 107.668 177.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 28.2 mt -68.06 -53.38 26.09 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.542 -0.754 . . . . 1.21 109.878 176.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' THR . . . . . 0.515 HG21 ' N ' ' B' ' 15' ' ' VAL . 0.5 OUTLIER -58.04 -46.75 84.82 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 116.517 -0.311 . . . . 1.8 111.571 179.607 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.878 HG11 HD22 ' B' ' 18' ' ' LEU . 76.2 t -63.6 -44.85 98.73 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.2 0 O-C-N 121.596 -0.69 . . . . 1.17 110.618 178.631 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . 0.649 ' O ' ' HB ' ' B' ' 20' ' ' ILE . 15.8 t80 -55.13 -35.36 64.61 Favored 'General case' 0 C--O 1.224 -0.274 0 N-CA-C 108.749 -0.834 . . . . 2.53 108.749 178.211 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.513 ' HA ' HG21 ' B' ' 20' ' ' ILE . 22.4 mt -74.04 -32.81 63.48 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.914 -0.585 . . . . 1.25 110.972 177.576 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . 0.878 HD22 HG11 ' B' ' 15' ' ' VAL . 0.2 OUTLIER -64.24 -50.41 68.11 Favored 'General case' 0 N--CA 1.422 -1.86 0 N-CA-C 109.237 -0.653 . . . . 1.21 109.237 179.506 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . 0.729 ' O ' HG13 ' B' ' 23' ' ' ILE . 2.3 pp -68.82 -41.94 77.92 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.142 -0.935 . . . . 1.15 110.786 179.484 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . 0.649 ' HB ' ' O ' ' B' ' 16' ' ' PHE . 1.3 tp -55.79 -28.5 23.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 108.949 -0.76 . . . . 1.34 108.949 177.545 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' SER . . . . . 0.432 ' N ' HG23 ' B' ' 20' ' ' ILE . 69.3 m -83.88 -51.47 7.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.993 -1.003 . . . . 0.49 109.865 177.467 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . 0.445 ' HA ' ' HD2' ' B' ' 22' ' ' LYS . 7.2 tptp -57.44 -23.33 48.97 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 114.921 -1.036 . . . . 0.82 112.953 -179.215 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.729 HG13 ' O ' ' B' ' 19' ' ' LEU . 55.9 mt -41.47 -48.42 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 N-CA-C 112.949 0.722 . . . . 1.33 112.949 -179.633 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . 0.86 ' HB ' ' HD3' ' B' ' 25' ' ' PRO . 40.4 t -75.12 -61.56 0.99 Allowed Pre-proline 0 CA--C 1.547 0.835 0 N-CA-C 112.135 0.42 . . . . 1.55 112.135 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . 0.86 ' HD3' ' HB ' ' B' ' 24' ' ' VAL . 60.7 Cg_endo -90.06 114.16 0.53 Allowed 'Trans proline' 0 C--N 1.357 1.024 0 C-N-CA 122.492 2.128 . . . . 1.07 112.915 179.682 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -77.8 -73.66 0.01 OUTLIER 'Trans proline' 0 CA--C 1.539 0.735 0 C-N-CA 122.9 2.4 . . . . 1.62 114.095 -179.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 4.5 t -65.9 -33.9 76.89 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 112.873 0.694 . . . . 2.18 112.873 -178.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 96.1 p . . . . . 0 C--O 1.251 1.18 0 CA-C-O 118.071 -0.966 . . . . 1.26 110.767 -179.708 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 . . . . . 0 N--CA 1.49 1.54 0 CA-C-O 121.067 0.46 . . . . 2.26 111.29 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 19.8 ptpt -88.03 -24.67 23.42 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.632 -0.713 . . . . 2.7 111.383 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 16.4 ptp -100.87 13.81 33.85 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 112.471 0.545 . . . . 2.39 112.471 -179.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' THR . . . . . 0.437 HG21 ' N ' ' B' ' 5' ' ' LEU . 6.8 t -57.61 -39.99 78.13 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 111.997 0.369 . . . . 1.5 111.997 -179.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.437 ' N ' HG21 ' B' ' 4' ' ' THR . 91.0 mt -69.16 -41.27 77.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.187 0.518 . . . . 1.7 110.628 178.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' CYS . . . . . 0.612 ' O ' ' HG ' ' B' ' 10' ' ' LEU . 34.6 m -65.09 -52.16 57.15 Favored 'General case' 0 C--O 1.219 -0.518 0 CA-C-N 115.946 -0.57 . . . . 1.15 112.252 -179.699 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . 0.475 ' O ' ' HG ' ' B' ' 11' ' ' LEU . 7.8 tp -58.51 -35.83 56.44 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.468 0 N-CA-C 108.686 -0.857 . . . . 1.42 108.686 179.422 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' SER . . . . . 0.438 ' O ' ' HB2' ' B' ' 12' ' ' ALA . 27.1 t -61.35 -29.65 70.03 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 109.017 -0.734 . . . . 1.47 109.017 176.177 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 1.8 t -87.07 -32.38 6.36 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.795 0 C-N-CA 120.491 -0.483 . . . . 1.55 111.659 178.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . 0.612 ' HG ' ' O ' ' B' ' 6' ' ' CYS . 14.9 mt -64.74 -34.39 78.21 Favored 'General case' 0 CA--C 1.507 -0.684 0 N-CA-C 107.475 -1.306 . . . . 1.48 107.475 177.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' B' ' 7' ' ' ILE . 3.9 pp -82.84 -34.82 26.75 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 114.219 -1.355 . . . . 1.21 110.147 177.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . 0.438 ' HB2' ' O ' ' B' ' 8' ' ' SER . . . -59.71 -38.71 82.35 Favored 'General case' 0 CA--C 1.514 -0.411 0 N-CA-C 107.753 -1.203 . . . . 1.39 107.753 177.318 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 32.0 mt -66.88 -50.89 61.05 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.535 -0.757 . . . . 1.74 109.361 176.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 91.6 m -55.97 -54.45 44.67 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.8 -0.636 . . . . 1.23 111.761 178.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.608 ' HA ' HD21 ' B' ' 18' ' ' LEU . 81.1 t -59.12 -44.67 92.14 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.206 0 O-C-N 122.157 -0.339 . . . . 1.27 110.801 178.792 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . 0.585 ' O ' HD13 ' B' ' 19' ' ' LEU . 43.0 t80 -53.8 -39.65 65.67 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-O 121.602 0.715 . . . . 1.75 109.081 178.255 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 21.4 mt -70.94 -32.74 69.72 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.037 -0.529 . . . . 1.69 111.01 177.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . 0.608 HD21 ' HA ' ' B' ' 15' ' ' VAL . 0.1 OUTLIER -65.83 -48.64 70.96 Favored 'General case' 0 N--CA 1.425 -1.68 0 CA-C-O 121.622 0.725 . . . . 1.29 109.708 179.612 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . 0.593 ' HB2' HD11 ' B' ' 23' ' ' ILE . 1.8 pp -67.1 -46.27 74.73 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 114.914 -1.039 . . . . 1.45 110.646 179.765 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . 0.521 HG12 HD13 ' B' ' 19' ' ' LEU . 13.4 mm -57.83 -27.52 30.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.543 0.687 . . . . 1.68 109.68 176.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' SER . . . . . 0.513 ' HB2' ' O ' ' B' ' 18' ' ' LEU . 27.6 m -72.98 -59.57 2.64 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.438 -0.801 . . . . 0.7 111.843 178.701 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 12.9 tptt -67.66 -42.04 82.8 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 115.522 -0.763 . . . . 1.84 111.045 -179.018 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.593 HD11 ' HB2' ' B' ' 19' ' ' LEU . 3.3 mt -92.15 68.68 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.792 -0.64 . . . . 1.39 111.84 -179.646 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 47.4 t -62.61 123.54 79.56 Favored Pre-proline 0 CA--C 1.534 0.36 0 CA-C-N 116.226 -0.443 . . . . 1.31 111.231 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -66.31 132.5 29.71 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.506 2.137 . . . . 1.25 112.565 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -68.41 138.94 43.89 Favored 'Trans proline' 0 CA--C 1.532 0.383 0 C-N-CA 122.281 1.987 . . . . 1.58 112.655 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 69.8 p -83.91 37.15 0.58 Allowed 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.505 -0.316 . . . . 2.26 111.28 179.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 30.4 t . . . . . 0 C--O 1.251 1.165 0 CA-C-O 118.119 -0.943 . . . . 3.22 110.888 -179.828 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 . . . . . 0 N--CA 1.491 1.608 0 N-CA-C 112.03 0.382 . . . . 2.82 112.03 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 9.9 ptpp? -68.19 -21.99 64.84 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-O 121.318 0.58 . . . . 3.03 110.509 179.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 20.2 ptt? -87.53 16.75 5.17 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 115.523 -0.762 . . . . 2.04 112.108 179.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 5.1 t -53.94 -41.04 67.31 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 112.013 0.375 . . . . 1.61 112.013 -179.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 87.0 mt -66.92 -42.81 84.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.25 0.547 . . . . 1.89 110.88 179.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' CYS . . . . . 0.59 ' O ' ' HG ' ' B' ' 10' ' ' LEU . 31.1 m -64.64 -51.82 60.63 Favored 'General case' 0 C--O 1.219 -0.508 0 CA-C-N 116.017 -0.538 . . . . 1.37 112.191 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . 0.453 ' HA ' ' HG ' ' B' ' 10' ' ' LEU . 15.2 tt -59.2 -35.45 57.8 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.431 0 N-CA-C 108.924 -0.769 . . . . 1.33 108.924 179.614 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' SER . . . . . 0.406 ' O ' ' HB1' ' B' ' 12' ' ' ALA . 29.5 t -62.39 -27.48 69.11 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 109.009 -0.737 . . . . 1.27 109.009 175.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.422 ' HA ' ' HB1' ' B' ' 12' ' ' ALA . 1.5 t -87.72 -31.81 5.96 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.871 0 C-N-CA 120.388 -0.525 . . . . 1.52 111.212 178.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . 0.59 ' HG ' ' O ' ' B' ' 6' ' ' CYS . 13.9 mt -64.88 -34.59 78.75 Favored 'General case' 0 CA--C 1.51 -0.594 0 N-CA-C 107.344 -1.354 . . . . 1.48 107.344 177.468 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' B' ' 7' ' ' ILE . 4.0 pp -83.25 -34.55 25.8 Favored 'General case' 0 C--O 1.214 -0.795 0 CA-C-N 114.148 -1.387 . . . . 1.24 110.316 178.145 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . 0.422 ' HB1' ' HA ' ' B' ' 9' ' ' VAL . . . -59.9 -38.28 81.82 Favored 'General case' 0 CA--C 1.514 -0.421 0 N-CA-C 107.672 -1.233 . . . . 1.38 107.672 177.275 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 28.0 mt -67.34 -51.04 57.19 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 115.552 -0.749 . . . . 1.68 109.198 176.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 89.4 m -55.55 -54.27 46.07 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 115.906 -0.588 . . . . 1.44 111.752 178.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.652 HG11 HD22 ' B' ' 18' ' ' LEU . 89.1 t -59.45 -45.08 93.96 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.199 0 O-C-N 122.212 -0.305 . . . . 1.26 110.842 178.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . 0.427 ' CD1' HD13 ' B' ' 19' ' ' LEU . 48.4 t80 -53.89 -37.65 63.96 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.481 0.658 . . . . 1.76 109.227 178.324 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.465 ' O ' HG21 ' B' ' 20' ' ' ILE . 21.0 mt -72.43 -34.01 67.52 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.957 -0.565 . . . . 1.65 110.868 177.717 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . 0.652 HD22 HG11 ' B' ' 15' ' ' VAL . 0.2 OUTLIER -65.01 -48.94 72.14 Favored 'General case' 0 N--CA 1.423 -1.781 0 CA-C-O 121.633 0.73 . . . . 1.48 109.622 179.624 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . 0.585 HD12 ' N ' ' B' ' 20' ' ' ILE . 2.3 pp -68.2 -46.46 70.58 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 114.861 -1.063 . . . . 1.36 110.929 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . 0.585 ' N ' HD12 ' B' ' 19' ' ' LEU . 4.1 tp -58.86 -24.44 26.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 121.249 0.547 . . . . 1.71 109.745 178.047 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' SER . . . . . 0.444 ' HB2' ' O ' ' B' ' 18' ' ' LEU . 31.6 m -77.32 -60.32 2.41 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-N 115.477 -0.783 . . . . 1.44 111.081 178.207 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 6.2 tptp -62.41 -41.86 99.0 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 115.321 -0.854 . . . . 1.97 111.378 -179.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.535 HG13 ' O ' ' B' ' 19' ' ' LEU . 4.5 mt -87.45 56.04 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 112.538 0.57 . . . . 2.1 112.538 -179.141 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 3.7 m -62.5 128.62 91.74 Favored Pre-proline 0 C--N 1.331 -0.22 0 CA-C-N 116.417 -0.356 . . . . 1.72 110.774 178.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . 0.475 ' HB2' HG21 ' B' ' 27' ' ' THR . 31.7 Cg_endo -64.75 134.56 41.12 Favored 'Trans proline' 0 C--O 1.236 0.412 0 C-N-CA 121.847 1.698 . . . . 2.82 111.953 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -67.04 40.49 0.17 Allowed 'Trans proline' 0 N--CA 1.481 0.788 0 C-N-CA 123.497 2.798 . . . . 2.77 113.525 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' THR . . . . . 0.475 HG21 ' HB2' ' B' ' 25' ' ' PRO . 6.8 t -144.03 -5.21 0.79 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.053 -0.522 . . . . 4.2 111.327 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 60.6 p . . . . . 0 C--O 1.251 1.142 0 CA-C-O 118.614 -0.708 . . . . 5.47 112.577 -179.983 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' GLU . . . . . 0.616 ' OE1' ' HE2' ' B' ' 2' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.653 0 N-CA-C 111.596 0.221 . . . . 1.94 111.596 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . 0.616 ' HE2' ' OE1' ' B' ' 1' ' ' GLU . 2.3 mttt 61.88 -48.87 0.15 Allowed 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 124.94 1.296 . . . . 2.19 112.867 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 21.4 ptm -76.85 6.55 5.97 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.929 -0.578 . . . . 1.83 112.069 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 3.0 t -60.24 -41.03 92.31 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 120.809 0.337 . . . . 1.25 111.406 179.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 90.3 mt -68.41 -41.36 80.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.212 0.529 . . . . 1.35 110.553 178.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' CYS . . . . . 0.613 ' O ' ' HG ' ' B' ' 10' ' ' LEU . 29.4 m -64.61 -52.65 56.34 Favored 'General case' 0 C--O 1.219 -0.506 0 CA-C-N 116.01 -0.541 . . . . 1.39 112.22 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . 0.467 ' O ' ' HG ' ' B' ' 11' ' ' LEU . 8.1 tp -58.44 -36.59 59.63 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.462 0 N-CA-C 108.933 -0.765 . . . . 1.18 108.933 179.578 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' SER . . . . . 0.454 ' N ' HG21 ' B' ' 7' ' ' ILE . 39.9 t -62.24 -27.12 68.77 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 109.237 -0.653 . . . . 1.12 109.237 176.125 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 1.4 t -88.2 -32.24 5.96 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.857 0 C-N-CA 120.331 -0.548 . . . . 1.21 111.371 178.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . 0.613 ' HG ' ' O ' ' B' ' 6' ' ' CYS . 14.1 mt -65.06 -34.23 77.93 Favored 'General case' 0 CA--C 1.509 -0.619 0 N-CA-C 107.462 -1.31 . . . . 1.17 107.462 177.597 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' B' ' 7' ' ' ILE . 4.0 pp -83.06 -35.09 26.01 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 114.15 -1.386 . . . . 1.28 110.309 177.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.75 -38.38 81.61 Favored 'General case' 0 CA--C 1.514 -0.431 0 N-CA-C 107.704 -1.221 . . . . 1.12 107.704 177.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 29.0 mt -67.05 -50.72 61.0 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.595 -0.73 . . . . 1.22 109.317 176.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 89.2 m -56.34 -54.3 47.17 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.968 -0.56 . . . . 1.22 111.824 178.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.784 HG12 HD21 ' B' ' 18' ' ' LEU . 79.0 t -58.77 -44.88 91.19 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.166 0 O-C-N 122.13 -0.356 . . . . 1.17 110.86 178.742 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . 0.526 ' O ' HD11 ' B' ' 19' ' ' LEU . 43.1 t80 -54.08 -39.93 66.76 Favored 'General case' 0 C--O 1.223 -0.335 0 CA-C-O 121.596 0.712 . . . . 0.76 109.195 178.34 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 22.4 mt -70.6 -32.19 69.45 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.02 -0.536 . . . . 1.23 111.037 177.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . 0.784 HD21 HG12 ' B' ' 15' ' ' VAL . 0.1 OUTLIER -66.03 -48.97 69.34 Favored 'General case' 0 N--CA 1.425 -1.723 0 CA-C-O 121.573 0.702 . . . . 1.18 109.568 179.662 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . 0.773 ' O ' HG13 ' B' ' 23' ' ' ILE . 1.5 pp -66.47 -48.16 70.78 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.132 -0.94 . . . . 1.12 110.361 179.644 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . 0.49 HG12 HD11 ' B' ' 19' ' ' LEU . 13.8 mm -53.07 -31.15 17.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.339 0.59 . . . . 1.23 109.455 176.759 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' SER . . . . . 0.521 ' HB2' ' O ' ' B' ' 18' ' ' LEU . 57.8 m -73.05 -50.64 21.79 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.357 -0.838 . . . . 0.55 110.887 177.776 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 1.6 tptm -60.19 -39.73 87.57 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 115.338 -0.846 . . . . 1.48 110.043 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.773 HG13 ' O ' ' B' ' 19' ' ' LEU . 23.2 mt -72.71 -54.42 16.09 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 CA-C-N 115.671 -0.695 . . . . 1.34 112.455 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . 0.406 ' HA ' ' HD3' ' B' ' 25' ' ' PRO . 47.1 t -105.56 116.02 60.81 Favored Pre-proline 0 CA--C 1.531 0.241 0 CA-C-O 120.964 0.411 . . . . 1.36 111.575 -179.544 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . 0.412 ' HA ' ' HD3' ' B' ' 26' ' ' PRO . 6.2 Cg_exo -73.86 128.97 12.9 Favored 'Trans proline' 0 CA--C 1.533 0.457 0 C-N-CA 122.905 2.403 . . . . 1.1 112.824 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' B' ' 25' ' ' PRO . 28.5 Cg_exo -62.27 -42.01 31.08 Favored 'Trans proline' 0 CA--C 1.534 0.484 0 C-N-CA 122.841 2.36 . . . . 1.64 112.557 179.786 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 76.7 p -81.29 60.15 4.26 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 116.341 -0.391 . . . . 2.45 111.47 179.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 29.3 t . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.355 -0.831 . . . . 1.97 111.57 -179.913 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.49 1.562 0 CA-C-O 120.95 0.405 . . . . 2.5 111.779 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 19.1 pttp -67.94 -21.73 65.09 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.887 -0.597 . . . . 1.82 111.415 179.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 15.8 ptp -81.12 16.89 1.38 Allowed 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 115.909 -0.587 . . . . 2.26 112.373 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 4.4 t -56.04 -39.87 72.65 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 112.264 0.468 . . . . 1.51 112.264 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.408 ' HA ' HD22 ' B' ' 5' ' ' LEU . 88.1 mt -66.92 -42.78 84.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.113 0.482 . . . . 1.86 110.901 179.213 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' CYS . . . . . 0.607 ' O ' ' HG ' ' B' ' 10' ' ' LEU . 29.9 m -65.57 -52.31 53.24 Favored 'General case' 0 C--O 1.218 -0.564 0 CA-C-N 116.058 -0.519 . . . . 1.23 112.379 -179.8 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . 0.51 HD11 HD11 ' B' ' 10' ' ' LEU . 7.9 tp -58.05 -36.57 57.25 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.44 0 N-CA-C 108.839 -0.8 . . . . 1.4 108.839 179.649 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' SER . . . . . 0.452 ' HA ' HD22 ' B' ' 11' ' ' LEU . 48.1 t -60.82 -30.13 69.9 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 108.955 -0.758 . . . . 1.24 108.955 176.03 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 1.6 t -86.71 -32.19 6.45 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.774 0 O-C-N 121.846 -0.534 . . . . 1.58 111.918 178.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . 0.607 ' HG ' ' O ' ' B' ' 6' ' ' CYS . 14.2 mt -65.1 -34.09 77.57 Favored 'General case' 0 CA--C 1.508 -0.664 0 N-CA-C 107.571 -1.27 . . . . 1.5 107.571 177.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' B' ' 7' ' ' ILE . 4.0 pp -83.03 -34.58 26.22 Favored 'General case' 0 C--O 1.215 -0.738 0 CA-C-N 114.262 -1.335 . . . . 1.25 110.243 177.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . 0.441 ' HB1' ' O ' ' B' ' 8' ' ' SER . . . -59.96 -39.05 84.28 Favored 'General case' 0 CA--C 1.514 -0.418 0 N-CA-C 107.662 -1.236 . . . . 1.4 107.662 177.413 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 29.9 mt -67.19 -48.89 66.57 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.579 -0.737 . . . . 1.78 109.427 176.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' THR . . . . . 0.537 ' O ' ' HG ' ' B' ' 17' ' ' LEU . 96.7 m -57.81 -54.14 50.28 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 115.827 -0.624 . . . . 1.07 111.629 178.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.71 ' HA ' HD22 ' B' ' 18' ' ' LEU . 94.2 t -59.65 -45.93 93.79 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.36 0 O-C-N 121.546 -0.721 . . . . 1.26 110.661 178.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . 0.443 ' O ' HD12 ' B' ' 19' ' ' LEU . 1.2 m-85 -54.4 -37.36 64.97 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 120.925 -0.31 . . . . 2.51 111.063 178.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.799 ' HA ' HG22 ' B' ' 20' ' ' ILE . 4.4 pp -79.61 -25.22 41.53 Favored 'General case' 0 N--CA 1.444 -0.739 0 C-N-CA 119.41 -0.916 . . . . 1.52 110.514 178.327 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . 0.71 HD22 ' HA ' ' B' ' 15' ' ' VAL . 0.1 OUTLIER -67.66 -49.66 61.77 Favored 'General case' 0 N--CA 1.423 -1.804 0 N-CA-C 108.695 -0.854 . . . . 1.32 108.695 178.283 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . 0.54 ' HB2' HD12 ' B' ' 23' ' ' ILE . 2.3 pp -67.52 -45.75 74.86 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.62 -1.173 . . . . 1.38 110.782 179.555 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . 0.799 HG22 ' HA ' ' B' ' 17' ' ' LEU . 3.6 tp -60.05 -24.08 29.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.061 0.458 . . . . 1.58 110.01 178.238 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' SER . . . . . 0.432 ' N ' HG21 ' B' ' 20' ' ' ILE . 30.3 m -77.64 -61.57 1.95 Allowed 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.822 -0.626 . . . . 0.87 111.181 178.48 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 13.5 tptt -61.99 -42.43 99.14 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 115.249 -0.887 . . . . 1.89 111.064 -179.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.54 HD12 ' HB2' ' B' ' 19' ' ' LEU . 2.3 mt -94.61 44.52 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.012 -0.54 . . . . 1.32 111.676 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . 0.428 ' HA ' ' HD3' ' B' ' 25' ' ' PRO . 7.5 p -69.43 127.47 92.78 Favored Pre-proline 0 CA--C 1.535 0.4 0 CA-C-O 121.104 0.478 . . . . 1.38 111.089 179.657 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' B' ' 24' ' ' VAL . 21.4 Cg_exo -66.15 126.77 16.32 Favored 'Trans proline' 0 CA--C 1.532 0.392 0 C-N-CA 122.559 2.173 . . . . 1.11 112.55 -179.416 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.14 48.29 0.69 Allowed 'Trans proline' 0 C--N 1.35 0.653 0 C-N-CA 123.123 2.548 . . . . 1.74 112.793 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 93.5 m -164.84 -49.5 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.648 -0.705 . . . . 2.68 109.602 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 57.0 m . . . . . 0 C--O 1.252 1.19 0 CA-C-O 118.283 -0.865 . . . . 3.45 112.194 179.507 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 . . . . . 0 N--CA 1.488 1.45 0 CA-C-O 121.173 0.511 . . . . 1.32 111.656 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 59.4 pttt -68.22 -22.02 64.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.289 0.566 . . . . 2.03 110.762 179.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 21.1 ptt? -84.39 14.29 4.59 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 115.616 -0.72 . . . . 1.74 112.125 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 5.9 t -55.77 -40.69 72.95 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 112.172 0.434 . . . . 1.24 112.172 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.403 ' HA ' HD21 ' B' ' 5' ' ' LEU . 93.7 mt -67.69 -39.97 84.39 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-O 121.11 0.481 . . . . 1.39 111.04 179.377 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' CYS . . . . . . . . . . . . . 34.6 m -67.21 -50.54 60.41 Favored 'General case' 0 C--O 1.22 -0.458 0 N-CA-C 112.348 0.499 . . . . 1.2 112.348 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . 0.699 ' HA ' ' HG ' ' B' ' 10' ' ' LEU . 14.2 tt -60.14 -38.49 77.26 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.555 0 N-CA-C 108.687 -0.857 . . . . 1.34 108.687 179.635 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' SER . . . . . 0.47 ' O ' ' HB3' ' B' ' 12' ' ' ALA . 33.4 t -60.25 -29.04 68.51 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 108.954 -0.758 . . . . 1.07 108.954 176.08 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 1.8 t -87.51 -34.26 7.29 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.864 0 N-CA-C 112.48 0.548 . . . . 1.2 112.48 179.317 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . 0.699 ' HG ' ' HA ' ' B' ' 7' ' ' ILE . 4.7 pp -67.82 -29.15 68.24 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.023 -1.103 . . . . 1.21 108.023 178.086 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.531 ' HG ' ' O ' ' B' ' 7' ' ' ILE . 4.1 pp -84.45 -34.82 23.36 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-N 115.328 -0.851 . . . . 1.16 109.764 176.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . 0.47 ' HB3' ' O ' ' B' ' 8' ' ' SER . . . -59.62 -39.0 82.84 Favored 'General case' 0 CA--C 1.514 -0.427 0 N-CA-C 107.607 -1.257 . . . . 0.58 107.607 177.343 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 30.5 mt -66.39 -50.78 62.31 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.554 -0.748 . . . . 1.26 109.393 176.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 95.6 m -56.48 -54.17 48.92 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 116.037 -0.528 . . . . 1.18 111.791 178.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.658 ' HA ' HD22 ' B' ' 18' ' ' LEU . 82.3 t -58.99 -44.81 91.98 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.161 0 O-C-N 122.199 -0.313 . . . . 1.21 110.783 178.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -53.44 -40.67 65.4 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 109.009 -0.737 . . . . 1.03 109.009 178.227 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.559 HD23 HD12 ' B' ' 20' ' ' ILE . 21.4 mt -68.34 -34.84 76.82 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.798 -0.637 . . . . 1.25 111.01 177.743 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . 0.658 HD22 ' HA ' ' B' ' 15' ' ' VAL . 0.2 OUTLIER -65.17 -48.21 74.29 Favored 'General case' 0 N--CA 1.424 -1.728 0 CA-C-O 121.518 0.675 . . . . 1.14 110.162 179.849 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . 0.56 HD12 HG21 ' B' ' 20' ' ' ILE . 1.8 pp -66.36 -48.6 69.69 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 114.903 -1.044 . . . . 1.14 111.781 -179.368 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . 0.56 HG21 HD12 ' B' ' 19' ' ' LEU . 33.7 pt -60.43 -24.48 31.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 C-N-CA 120.068 -0.653 . . . . 1.21 109.755 177.625 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' SER . . . . . 0.455 ' HB2' ' O ' ' B' ' 18' ' ' LEU . 21.5 m -73.81 -63.06 1.29 Allowed 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.552 -0.749 . . . . 0.52 111.199 178.592 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 6.2 tptp -62.71 -41.97 99.41 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 115.425 -0.807 . . . . 1.51 110.994 -179.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.45 HG13 ' O ' ' B' ' 19' ' ' LEU . 2.3 mt -94.7 45.03 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.06 -0.518 . . . . 1.32 111.595 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . 0.451 HG22 ' HD2' ' B' ' 25' ' ' PRO . 7.6 p -69.46 129.9 91.2 Favored Pre-proline 0 CA--C 1.538 0.489 0 CA-C-N 116.117 -0.492 . . . . 1.32 111.07 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . 0.451 ' HD2' HG22 ' B' ' 24' ' ' VAL . 6.1 Cg_exo -63.81 124.98 14.5 Favored 'Trans proline' 0 CA--C 1.532 0.399 0 C-N-CA 122.014 1.809 . . . . 1.25 112.887 -179.458 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -76.42 64.35 7.25 Favored 'Trans proline' 0 CA--C 1.534 0.517 0 C-N-CA 122.478 2.119 . . . . 1.51 111.829 179.192 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' THR . . . . . 0.425 ' O ' HG21 ' B' ' 27' ' ' THR . 9.6 t -160.72 123.91 3.36 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 115.693 -0.685 . . . . 2.09 111.87 -178.658 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 90.7 p . . . . . 0 C--O 1.249 1.071 0 N-CA-C 113.816 1.043 . . . . 3.88 113.816 179.067 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' GLU . . . . . 0.425 ' H2 ' ' CD ' ' B' ' 1' ' ' GLU . 5.4 mp0 . . . . . 0 N--CA 1.492 1.657 0 CA-C-O 121.034 0.445 . . . . 1.47 112.005 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 58.0 pttt -68.88 -24.64 64.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.744 -0.662 . . . . 1.66 110.651 178.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 21.6 ptm -78.6 12.08 2.22 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 115.63 -0.714 . . . . 1.69 112.169 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 6.0 t -58.07 -38.06 75.64 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 120.804 0.335 . . . . 1.25 111.781 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 91.4 mt -69.3 -42.32 75.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.154 0.502 . . . . 1.45 110.838 179.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' CYS . . . . . . . . . . . . . 32.7 m -64.71 -50.08 68.36 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-N 115.994 -0.548 . . . . 0.89 112.399 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . 0.673 ' HA ' ' HG ' ' B' ' 10' ' ' LEU . 14.7 tt -59.98 -38.17 75.48 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.572 0 N-CA-C 108.881 -0.785 . . . . 1.29 108.881 179.687 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' SER . . . . . 0.487 ' O ' ' HB2' ' B' ' 12' ' ' ALA . 70.9 m -62.08 -27.09 68.67 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 109.128 -0.693 . . . . 0.46 109.128 176.088 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 2.1 t -87.51 -34.45 7.42 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.887 0 O-C-N 121.915 -0.491 . . . . 1.27 112.014 179.174 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . 0.673 ' HG ' ' HA ' ' B' ' 7' ' ' ILE . 4.7 pp -68.49 -29.04 67.57 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 107.911 -1.144 . . . . 1.23 107.911 177.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' B' ' 7' ' ' ILE . 4.1 pp -84.34 -33.94 23.76 Favored 'General case' 0 N--CA 1.441 -0.88 0 CA-C-N 115.412 -0.813 . . . . 1.14 109.781 176.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . 0.487 ' HB2' ' O ' ' B' ' 8' ' ' SER . . . -60.58 -40.29 91.21 Favored 'General case' 0 CA--C 1.515 -0.378 0 N-CA-C 107.44 -1.319 . . . . 1.15 107.44 177.16 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 31.0 mt -65.44 -48.43 72.75 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 115.519 -0.764 . . . . 1.43 109.549 176.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' THR . . . . . 0.541 ' O ' ' HG ' ' B' ' 17' ' ' LEU . 99.7 m -59.3 -54.5 46.06 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 115.857 -0.611 . . . . 1.2 111.849 179.066 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.608 ' HA ' HD23 ' B' ' 18' ' ' LEU . 91.0 t -59.05 -46.11 91.98 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.29 0 O-C-N 121.452 -0.78 . . . . 1.21 110.904 179.118 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . 0.6 ' O ' HG23 ' B' ' 20' ' ' ILE . 3.0 m-85 -55.39 -39.01 69.63 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.711 -0.396 . . . . 1.24 110.877 179.016 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.78 ' HA ' HG12 ' B' ' 20' ' ' ILE . 4.4 pp -75.85 -25.92 56.67 Favored 'General case' 0 N--CA 1.444 -0.725 0 C-N-CA 119.166 -1.014 . . . . 1.29 110.504 178.231 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . 0.608 HD23 ' HA ' ' B' ' 15' ' ' VAL . 0.1 OUTLIER -67.45 -48.68 66.51 Favored 'General case' 0 N--CA 1.422 -1.838 0 CA-C-O 121.705 0.764 . . . . 1.21 108.94 178.414 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . 0.546 HD22 HG13 ' B' ' 15' ' ' VAL . 1.6 pp -65.94 -49.39 68.11 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 114.732 -1.122 . . . . 1.26 111.519 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . 0.78 HG12 ' HA ' ' B' ' 17' ' ' LEU . 31.7 pt -59.57 -24.71 29.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 C-N-CA 119.843 -0.743 . . . . 1.31 109.974 177.763 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' SER . . . . . 0.482 ' HB2' ' O ' ' B' ' 18' ' ' LEU . 15.0 m -72.4 -59.64 2.63 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 115.731 -0.668 . . . . 0.59 111.572 178.546 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 12.5 tptt -70.13 -41.55 73.76 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 115.672 -0.694 . . . . 1.88 111.208 -179.109 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 2.2 mm -90.01 60.29 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.858 -0.61 . . . . 1.26 111.985 -179.281 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 6.0 m -65.95 132.9 94.75 Favored Pre-proline 0 CA--C 1.534 0.348 0 CA-C-O 121.125 0.488 . . . . 1.66 111.791 179.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -68.74 130.44 20.63 Favored 'Trans proline' 0 CA--C 1.533 0.451 0 C-N-CA 122.617 2.211 . . . . 1.47 112.743 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -72.27 44.14 0.67 Allowed 'Trans proline' 0 CA--C 1.539 0.75 0 C-N-CA 122.981 2.454 . . . . 2.13 113.371 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 67.7 p -95.72 63.55 2.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.413 -0.358 . . . . 2.05 111.458 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 36.0 t . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.318 -0.848 . . . . 3.38 111.199 -179.819 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' GLU . . . . . 0.718 ' HG3' ' H ' ' B' ' 3' ' ' MET . 4.0 tp10 . . . . . 0 N--CA 1.487 1.422 0 CA-C-O 121.287 0.565 . . . . 1.75 111.673 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . 0.424 ' HG2' ' OE1' ' B' ' 1' ' ' GLU . 13.6 pttm -60.48 -17.3 44.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 114.991 -1.004 . . . . 2.02 112.075 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' MET . . . . . 0.718 ' H ' ' HG3' ' B' ' 1' ' ' GLU . 17.6 ptm -76.3 5.41 7.08 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 111.989 0.366 . . . . 1.64 111.989 -179.682 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' THR . . . . . 0.415 HG21 ' N ' ' B' ' 5' ' ' LEU . 4.6 t -58.55 -39.76 81.13 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 120.766 0.317 . . . . 1.18 111.508 179.645 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.415 ' N ' HG21 ' B' ' 4' ' ' THR . 88.8 mt -69.52 -41.94 75.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.192 0.52 . . . . 1.44 110.51 179.002 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' CYS . . . . . 0.562 ' O ' ' HG ' ' B' ' 10' ' ' LEU . 13.8 m -63.8 -52.91 58.12 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-N 115.74 -0.664 . . . . 0.95 112.017 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . 0.483 ' O ' ' HG ' ' B' ' 11' ' ' LEU . 15.4 tt -58.8 -35.98 58.66 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.488 0 N-CA-C 109.08 -0.711 . . . . 1.23 109.08 179.584 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' SER . . . . . 0.464 ' N ' HG23 ' B' ' 7' ' ' ILE . 74.0 m -61.84 -27.47 68.8 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 108.862 -0.792 . . . . 0.63 108.862 176.1 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.68 ' O ' HD11 ' B' ' 13' ' ' LEU . 1.6 t -86.92 -34.45 7.65 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.928 0 C-N-CA 120.455 -0.498 . . . . 1.35 111.141 178.476 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . 0.562 ' HG ' ' O ' ' B' ' 6' ' ' CYS . 12.1 mt -63.21 -33.22 75.01 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 107.779 -1.193 . . . . 1.21 107.779 177.774 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' B' ' 7' ' ' ILE . 4.1 pp -84.91 -34.16 22.59 Favored 'General case' 0 C--O 1.213 -0.867 0 CA-C-N 114.132 -1.395 . . . . 1.17 110.706 178.436 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . 0.411 ' HB2' ' HA ' ' B' ' 9' ' ' VAL . . . -59.5 -41.82 90.75 Favored 'General case' 0 CA--C 1.513 -0.451 0 N-CA-C 107.556 -1.275 . . . . 1.17 107.556 177.398 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.68 HD11 ' O ' ' B' ' 9' ' ' VAL . 11.1 mp -66.13 -48.85 69.48 Favored 'General case' 0 N--CA 1.443 -0.775 0 CA-C-N 115.524 -0.762 . . . . 1.26 109.94 176.463 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' THR . . . . . 0.427 ' HB ' ' HA ' ' B' ' 11' ' ' LEU . 78.1 m -57.99 -53.33 59.43 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 116.619 -0.264 . . . . 1.15 111.605 178.717 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.799 HG11 HD21 ' B' ' 18' ' ' LEU . 53.5 t -57.96 -48.39 84.21 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.184 0 O-C-N 122.159 -0.338 . . . . 1.17 110.435 178.611 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . 0.621 ' HA ' HD11 ' B' ' 19' ' ' LEU . 32.9 t80 -50.44 -43.18 55.01 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 109.131 -0.692 . . . . 0.87 109.131 178.404 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.682 ' HA ' HG12 ' B' ' 20' ' ' ILE . 20.7 mt -64.51 -32.34 73.93 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 115.879 -0.601 . . . . 1.19 110.847 177.597 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . 0.799 HD21 HG11 ' B' ' 15' ' ' VAL . 0.1 OUTLIER -62.6 -53.04 60.52 Favored 'General case' 0 N--CA 1.418 -2.041 0 O-C-N 122.226 -0.296 . . . . 1.12 110.359 179.218 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . 0.621 HD11 ' HA ' ' B' ' 16' ' ' PHE 0.251 0.0 OUTLIER -70.62 -33.8 71.42 Favored 'General case' 0 C--O 1.221 -0.403 0 C-N-CA 118.567 -1.253 . . . . 1.13 113.117 -178.79 . . . . . . . . 4 4 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . 0.682 HG12 ' HA ' ' B' ' 17' ' ' LEU . 28.7 pt -69.79 -21.86 24.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 119.119 0.872 . . . . 1.15 109.288 177.354 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 33.6 m -81.28 -59.1 2.76 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.33 -0.85 . . . . 0.39 111.938 179.351 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 12.9 tptt -68.72 -41.47 79.0 Favored 'General case' 0 N--CA 1.445 -0.725 0 CA-C-N 115.455 -0.793 . . . . 1.57 111.044 -178.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.562 HG21 ' HD2' ' B' ' 25' ' ' PRO . 1.9 mt -99.48 140.69 18.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.704 -0.68 . . . . 1.21 111.41 -179.63 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . 0.698 ' HB ' ' HD3' ' B' ' 25' ' ' PRO . 42.6 t -57.53 -55.1 48.18 Favored Pre-proline 0 CA--C 1.544 0.741 0 N-CA-C 113.287 0.847 . . . . 1.26 113.287 -179.131 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . 0.698 ' HD3' ' HB ' ' B' ' 24' ' ' VAL . 39.8 Cg_exo -61.26 123.39 12.73 Favored 'Trans proline' 0 C--N 1.357 0.98 0 C-N-CA 122.0 1.8 . . . . 0.68 113.144 -179.481 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -73.85 53.4 2.8 Favored 'Trans proline' 0 CA--C 1.535 0.528 0 C-N-CA 122.968 2.445 . . . . 0.94 113.364 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' THR . . . . . 0.426 ' HA ' ' HE1' ' B' ' 16' ' ' PHE . 98.3 m -161.67 -51.5 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 116.491 -0.322 . . . . 1.6 111.078 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 75.8 m . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.48 -0.771 . . . . 1.34 110.752 179.903 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' GLU . . . . . 0.496 ' HB3' ' HG2' ' B' ' 3' ' ' MET . 55.6 mt-10 . . . . . 0 N--CA 1.488 1.467 0 CA-C-O 120.903 0.382 . . . . 1.41 111.935 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 10.1 ptpp? -65.43 -20.65 66.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.702 -0.681 . . . . 2.01 111.068 179.483 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' MET . . . . . 0.496 ' HG2' ' HB3' ' B' ' 1' ' ' GLU . 19.9 ptp -75.24 8.78 2.43 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 115.847 -0.615 . . . . 1.56 112.258 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 5.1 t -59.84 -38.02 80.88 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 120.871 0.367 . . . . 1.23 111.556 179.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 91.3 mt -69.41 -41.46 76.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.128 0.489 . . . . 1.52 110.573 179.228 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' CYS . . . . . 0.612 ' O ' ' HG ' ' B' ' 10' ' ' LEU . 30.0 m -64.77 -52.03 59.12 Favored 'General case' 0 C--O 1.22 -0.494 0 CA-C-N 116.059 -0.519 . . . . 1.21 112.188 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . 0.479 ' O ' ' HG ' ' B' ' 11' ' ' LEU . 8.0 tp -58.47 -36.36 58.71 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.455 0 N-CA-C 108.917 -0.771 . . . . 1.2 108.917 179.609 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' SER . . . . . 0.452 ' N ' HG23 ' B' ' 7' ' ' ILE . 69.0 m -62.14 -27.98 69.32 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 109.1 -0.704 . . . . 0.66 109.1 176.157 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 1.9 t -87.54 -32.91 6.39 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.822 0 O-C-N 121.881 -0.512 . . . . 1.25 111.538 178.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . 0.612 ' HG ' ' O ' ' B' ' 6' ' ' CYS . 14.2 mt -64.65 -33.93 77.09 Favored 'General case' 0 CA--C 1.508 -0.653 0 N-CA-C 107.493 -1.299 . . . . 1.18 107.493 177.643 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.574 ' HA ' HG22 ' B' ' 14' ' ' THR . 4.1 pp -83.24 -35.44 25.36 Favored 'General case' 0 N--CA 1.441 -0.894 0 CA-C-N 114.097 -1.41 . . . . 1.2 110.509 177.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.02 -37.74 77.64 Favored 'General case' 0 CA--C 1.515 -0.398 0 N-CA-C 107.617 -1.253 . . . . 1.18 107.617 177.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.408 ' O ' ' HG ' ' B' ' 17' ' ' LEU . 30.6 mt -67.8 -53.63 25.57 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.277 -0.874 . . . . 1.28 110.119 176.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' THR . . . . . 0.574 HG22 ' HA ' ' B' ' 11' ' ' LEU . 2.1 t -60.29 -45.21 94.14 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 116.587 -0.279 . . . . 1.14 111.707 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 74.7 t -63.07 -44.81 99.75 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.169 0 O-C-N 121.723 -0.61 . . . . 1.22 109.978 178.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . 0.458 ' O ' HG23 ' B' ' 20' ' ' ILE . 51.7 t80 -54.33 -38.68 66.28 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 108.495 -0.928 . . . . 0.83 108.495 177.764 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.639 HD22 HD11 ' B' ' 20' ' ' ILE . 22.7 mt -68.85 -35.33 76.8 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.622 -0.717 . . . . 0.88 111.052 177.687 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . 0.584 HD12 ' C ' ' B' ' 18' ' ' LEU . 0.2 OUTLIER -64.79 -48.19 75.38 Favored 'General case' 0 N--CA 1.425 -1.703 0 CA-C-O 121.598 0.713 . . . . 1.26 110.141 179.829 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . 0.502 HD12 ' N ' ' B' ' 20' ' ' ILE . 1.5 pp -66.28 -49.81 65.83 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 114.921 -1.036 . . . . 0.67 111.65 -179.253 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . 0.639 HD11 HD22 ' B' ' 17' ' ' LEU . 32.7 pt -59.78 -24.65 29.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 C-N-CA 120.2 -0.6 . . . . 1.17 109.827 177.537 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' SER . . . . . 0.519 ' HB2' ' O ' ' B' ' 18' ' ' LEU . 15.9 m -71.06 -61.52 1.73 Allowed 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.595 -0.729 . . . . 0.54 111.235 178.44 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 5.5 tptp -68.12 -43.02 79.31 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 115.699 -0.682 . . . . 1.61 111.332 -179.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.424 HG13 ' O ' ' B' ' 19' ' ' LEU . 4.6 mt -86.78 63.94 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 112.604 0.594 . . . . 1.26 112.604 -178.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . 0.682 ' HB ' ' HD3' ' B' ' 25' ' ' PRO . 59.3 t -65.54 -53.22 39.12 Favored Pre-proline 0 CA--C 1.542 0.655 0 CA-C-N 116.308 -0.405 . . . . 1.47 111.151 178.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . 0.682 ' HD3' ' HB ' ' B' ' 24' ' ' VAL . 6.1 Cg_exo -79.26 148.07 20.98 Favored 'Trans proline' 0 C--N 1.355 0.918 0 C-N-CA 122.598 2.198 . . . . 1.2 112.138 179.336 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -58.84 -27.81 85.26 Favored 'Trans proline' 0 CA--C 1.535 0.553 0 C-N-CA 122.852 2.368 . . . . 1.58 113.194 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 34.7 p -70.23 -58.96 3.19 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 112.262 0.468 . . . . 2.03 112.262 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 69.1 m . . . . . 0 C--O 1.251 1.16 0 CA-C-O 117.942 -1.028 . . . . 1.4 110.85 -179.917 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' GLU . . . . . 0.628 ' HB3' ' HB ' ' B' ' 4' ' ' THR . 0.7 OUTLIER . . . . . 0 N--CA 1.488 1.443 0 CA-C-O 120.956 0.408 . . . . 2.57 111.446 . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -79.11 -24.59 43.29 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.657 -0.701 . . . . 2.67 111.402 179.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 11.5 ptt? -125.12 25.86 7.11 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 112.286 0.476 . . . . 1.89 112.286 -179.471 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' THR . . . . . 0.628 ' HB ' ' HB3' ' B' ' 1' ' ' GLU . 3.4 t -52.68 -41.53 63.94 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 112.07 0.396 . . . . 1.78 112.07 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.775 HD21 ' H ' ' B' ' 5' ' ' LEU . 1.3 pt? -68.33 -43.01 78.49 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-O 120.991 0.424 . . . . 1.93 110.85 179.013 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' CYS . . . . . . . . . . . . . 57.1 m -67.01 -47.74 70.52 Favored 'General case' 0 C--O 1.22 -0.48 0 N-CA-C 112.114 0.413 . . . . 1.47 112.114 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . 0.635 ' HA ' ' HG ' ' B' ' 10' ' ' LEU . 0.1 OUTLIER -60.44 -37.42 74.52 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.297 0 N-CA-C 108.197 -1.038 . . . . 1.39 108.197 179.568 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' SER . . . . . 0.474 ' N ' HG21 ' B' ' 7' ' ' ILE . 34.3 t -63.58 -26.93 68.91 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 109.372 -0.603 . . . . 1.47 109.372 175.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 2.1 t -87.89 -33.77 6.83 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.015 0 C-N-CA 120.444 -0.502 . . . . 1.76 111.883 179.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . 0.635 ' HG ' ' HA ' ' B' ' 7' ' ' ILE . 4.6 pp -69.04 -28.95 67.01 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 107.702 -1.221 . . . . 1.33 107.702 177.762 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' B' ' 7' ' ' ILE . 4.2 pp -83.48 -34.85 25.28 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 115.547 -0.751 . . . . 1.35 109.497 176.566 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . 0.451 ' HB2' ' O ' ' B' ' 8' ' ' SER . . . -60.07 -39.38 85.86 Favored 'General case' 0 CA--C 1.512 -0.498 0 N-CA-C 107.713 -1.218 . . . . 1.28 107.713 177.472 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.416 ' O ' ' HG ' ' B' ' 17' ' ' LEU . 30.2 mt -66.21 -50.95 62.08 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.723 -0.671 . . . . 1.99 109.343 176.523 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 92.6 m -56.17 -54.61 43.12 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.923 -0.58 . . . . 1.45 111.739 178.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.48 ' HA ' HD21 ' B' ' 18' ' ' LEU . 89.3 t -59.21 -44.22 91.42 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.162 0 O-C-N 122.075 -0.391 . . . . 1.44 110.757 178.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . 0.433 ' CD1' HD11 ' B' ' 19' ' ' LEU . 51.1 t80 -53.52 -40.38 65.4 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 108.853 -0.795 . . . . 2.16 108.853 178.126 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.539 ' HA ' HG12 ' B' ' 20' ' ' ILE . 21.8 mt -68.8 -35.11 76.6 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.888 -0.596 . . . . 1.98 110.985 177.742 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . 0.48 HD21 ' HA ' ' B' ' 15' ' ' VAL . 0.1 OUTLIER -65.47 -48.06 73.95 Favored 'General case' 0 N--CA 1.423 -1.799 0 CA-C-O 121.536 0.684 . . . . 1.41 109.965 179.872 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . 0.784 HD13 HG21 ' B' ' 20' ' ' ILE . 2.0 pp -66.24 -48.44 70.53 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 114.841 -1.072 . . . . 1.63 111.714 -179.229 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . 0.784 HG21 HD13 ' B' ' 19' ' ' LEU . 33.4 pt -61.21 -24.61 33.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 C-N-CA 120.115 -0.634 . . . . 1.98 109.765 177.673 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' SER . . . . . 0.468 ' HB2' ' O ' ' B' ' 18' ' ' LEU . 16.5 m -71.95 -62.65 1.35 Allowed 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 115.564 -0.744 . . . . 1.38 111.557 178.821 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 5.2 tptp -69.71 -40.82 76.05 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 115.609 -0.723 . . . . 2.0 111.347 -179.265 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 2.3 mt -95.66 65.5 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.063 -0.517 . . . . 1.57 112.205 -179.152 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . 0.404 ' HA ' ' HD3' ' B' ' 25' ' ' PRO . 18.6 m -59.87 135.36 89.99 Favored Pre-proline 0 CA--C 1.537 0.479 0 CA-C-N 115.923 -0.58 . . . . 1.78 111.738 179.587 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . 0.42 ' HA ' ' HD3' ' B' ' 26' ' ' PRO . 8.7 Cg_exo -67.41 138.13 45.3 Favored 'Trans proline' 0 CA--C 1.531 0.346 0 C-N-CA 122.42 2.08 . . . . 2.23 113.112 -179.559 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' B' ' 25' ' ' PRO . 32.4 Cg_exo -61.98 87.48 0.1 Allowed 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 123.017 2.478 . . . . 2.52 112.144 179.29 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 70.5 p 54.86 53.34 10.58 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.036 0.534 . . . . 4.53 111.84 -179.021 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 75.4 m . . . . . 0 C--O 1.25 1.122 0 CA-C-O 118.307 -0.854 . . . . 4.24 110.851 179.873 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.489 1.511 0 CA-C-O 120.996 0.427 . . . . 1.32 111.91 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 57.6 pttt -67.26 -24.15 65.76 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 115.857 -0.611 . . . . 1.89 111.152 179.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 18.0 ptm -82.07 19.74 1.11 Allowed 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 112.522 0.564 . . . . 1.32 112.522 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 3.9 t -54.88 -41.04 70.37 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 112.699 0.629 . . . . 1.12 112.699 -179.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.747 HD22 ' H ' ' B' ' 5' ' ' LEU . 1.0 OUTLIER -68.78 -41.36 78.9 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 121.037 0.446 . . . . 1.35 111.198 179.423 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' CYS . . . . . 0.59 ' O ' ' HG ' ' B' ' 10' ' ' LEU . 32.7 m -64.29 -51.41 63.65 Favored 'General case' 0 C--O 1.22 -0.477 0 N-CA-C 112.286 0.476 . . . . 0.9 112.286 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . 0.45 ' HA ' ' HG ' ' B' ' 10' ' ' LEU . 15.0 tt -59.1 -35.48 57.55 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.513 0 N-CA-C 108.985 -0.746 . . . . 1.16 108.985 179.641 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 66.4 m -62.4 -27.64 69.23 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 108.877 -0.786 . . . . 0.42 108.877 176.039 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.508 ' HA ' ' HB2' ' B' ' 12' ' ' ALA . 1.8 t -87.61 -32.16 6.11 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.803 0 O-C-N 121.95 -0.469 . . . . 1.2 111.35 178.484 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . 0.59 ' HG ' ' O ' ' B' ' 6' ' ' CYS . 13.3 mt -64.69 -34.28 77.93 Favored 'General case' 0 CA--C 1.51 -0.592 0 N-CA-C 107.426 -1.324 . . . . 1.2 107.426 177.525 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' B' ' 7' ' ' ILE . 4.0 pp -83.36 -34.61 25.56 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 114.25 -1.341 . . . . 1.15 110.361 178.088 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . 0.508 ' HB2' ' HA ' ' B' ' 9' ' ' VAL . . . -59.97 -38.24 81.95 Favored 'General case' 0 CA--C 1.514 -0.411 0 N-CA-C 107.702 -1.221 . . . . 1.1 107.702 177.279 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.403 ' O ' ' HG ' ' B' ' 17' ' ' LEU . 29.3 mt -67.3 -50.02 61.9 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.455 -0.793 . . . . 1.3 109.211 176.42 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' THR . . . . . 0.416 ' HA ' HD12 ' B' ' 17' ' ' LEU . 96.2 m -56.63 -54.44 46.0 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.94 -0.573 . . . . 1.18 111.721 178.784 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.622 ' HA ' HD23 ' B' ' 18' ' ' LEU . 87.1 t -58.68 -44.76 90.54 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.168 0 O-C-N 122.079 -0.388 . . . . 1.16 110.74 178.798 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . 0.565 ' O ' HD12 ' B' ' 19' ' ' LEU . 45.7 t80 -53.42 -40.86 65.48 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 108.967 -0.753 . . . . 1.01 108.967 178.299 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.594 HD21 HD11 ' B' ' 20' ' ' ILE . 21.1 mt -68.69 -34.85 76.36 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.876 -0.602 . . . . 1.33 111.067 177.789 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . 0.622 HD23 ' HA ' ' B' ' 15' ' ' VAL . 0.2 OUTLIER -64.89 -48.29 74.77 Favored 'General case' 0 N--CA 1.423 -1.794 0 CA-C-O 121.61 0.719 . . . . 1.2 109.936 179.731 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . 0.609 HD12 HG23 ' B' ' 20' ' ' ILE . 1.4 pp -65.99 -52.43 49.48 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 115.06 -0.973 . . . . 1.13 111.555 -179.555 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . 0.609 HG23 HD12 ' B' ' 19' ' ' LEU . 32.0 pt -55.7 -25.5 18.43 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-N 118.703 0.683 . . . . 1.17 109.994 177.822 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' SER . . . . . 0.469 ' HB2' ' O ' ' B' ' 18' ' ' LEU . 31.1 m -73.68 -55.91 5.67 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.849 -0.614 . . . . 0.6 110.824 177.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . 0.64 ' HD3' HG12 ' B' ' 23' ' ' ILE . 0.1 OUTLIER -63.7 -35.87 81.99 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-N 115.512 -0.767 . . . . 1.35 110.969 -179.603 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.64 HG12 ' HD3' ' B' ' 22' ' ' LYS . 10.0 mm -66.89 125.1 23.55 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.213 0 C-N-CA 120.844 -0.343 . . . . 1.24 110.994 178.125 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 5.7 p -64.79 125.67 89.39 Favored Pre-proline 0 CA--C 1.539 0.545 0 CA-C-O 120.92 0.39 . . . . 1.4 111.028 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . 0.406 ' HA ' ' HD3' ' B' ' 26' ' ' PRO . 9.8 Cg_endo -64.11 131.3 30.04 Favored 'Trans proline' 0 CA--C 1.534 0.492 0 C-N-CA 122.015 1.81 . . . . 1.43 112.519 -179.661 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' B' ' 25' ' ' PRO . 39.4 Cg_exo -63.24 -38.01 47.13 Favored 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 123.076 2.517 . . . . 1.71 112.972 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 95.0 m -162.67 -45.39 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 120.7 0.286 . . . . 2.39 111.414 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 58.4 p . . . . . 0 C--O 1.245 0.838 0 CA-C-O 118.286 -0.864 . . . . 3.09 111.309 -179.435 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' GLU . . . . . 0.414 ' O ' HG23 ' B' ' 4' ' ' THR . 32.4 tt0 . . . . . 0 N--CA 1.49 1.548 0 CA-C-O 121.355 0.598 . . . . 2.12 111.617 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 60.9 pttt -78.24 -26.1 47.16 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.056 -0.975 . . . . 3.07 112.076 -179.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 15.1 ptp -103.15 16.02 27.72 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 112.82 0.674 . . . . 1.87 112.82 -178.368 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' THR . . . . . 0.424 HG22 ' N ' ' B' ' 5' ' ' LEU . 6.0 t -57.22 -38.39 73.67 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 111.923 0.342 . . . . 1.37 111.923 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.424 ' N ' HG22 ' B' ' 4' ' ' THR . 89.1 mt -68.49 -44.42 74.78 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-O 121.24 0.543 . . . . 1.45 110.887 179.367 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' CYS . . . . . 0.61 ' O ' ' HG ' ' B' ' 10' ' ' LEU . 35.1 m -64.31 -51.31 64.09 Favored 'General case' 0 C--O 1.22 -0.494 0 N-CA-C 112.259 0.466 . . . . 1.0 112.259 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . 0.47 ' O ' ' HG ' ' B' ' 11' ' ' LEU . 8.7 tp -58.12 -37.85 64.42 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.426 0 N-CA-C 109.413 -0.588 . . . . 1.31 109.413 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' SER . . . . . 0.464 ' N ' HG22 ' B' ' 7' ' ' ILE . 9.0 p -62.78 -26.18 68.59 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 108.939 -0.763 . . . . 0.71 108.939 176.715 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.539 ' HA ' ' HB3' ' B' ' 12' ' ' ALA . 1.7 t -87.71 -33.02 6.39 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.829 0 C-N-CA 120.463 -0.495 . . . . 1.12 111.525 178.633 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . 0.61 ' HG ' ' O ' ' B' ' 6' ' ' CYS . 14.3 mt -64.85 -34.25 77.93 Favored 'General case' 0 CA--C 1.508 -0.654 0 N-CA-C 107.432 -1.321 . . . . 1.17 107.432 177.666 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' B' ' 7' ' ' ILE . 4.1 pp -83.35 -34.32 25.65 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 114.258 -1.337 . . . . 1.23 110.406 177.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . 0.539 ' HB3' ' HA ' ' B' ' 9' ' ' VAL . . . -60.04 -38.62 83.3 Favored 'General case' 0 CA--C 1.513 -0.469 0 N-CA-C 107.637 -1.246 . . . . 1.19 107.637 177.298 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 27.8 mt -67.32 -50.41 60.23 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.518 -0.765 . . . . 1.26 109.074 176.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' THR . . . . . 0.425 ' HB ' ' HA ' ' B' ' 11' ' ' LEU . 94.2 m -55.56 -55.02 36.82 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 115.79 -0.641 . . . . 1.58 111.65 178.763 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.624 HG13 HD23 ' B' ' 18' ' ' LEU . 91.8 t -59.22 -44.89 92.98 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.266 0 O-C-N 122.093 -0.379 . . . . 1.29 110.767 178.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . 0.589 ' O ' HD13 ' B' ' 19' ' ' LEU . 46.7 t80 -53.71 -37.76 63.61 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.426 0.632 . . . . 1.11 109.419 178.264 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.559 ' O ' ' HB2' ' B' ' 21' ' ' SER . 21.1 mt -72.27 -33.68 67.64 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.009 -0.541 . . . . 1.23 110.977 177.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . 0.624 HD23 HG13 ' B' ' 15' ' ' VAL . 0.2 OUTLIER -66.07 -48.72 70.06 Favored 'General case' 0 N--CA 1.426 -1.635 0 CA-C-O 121.776 0.798 . . . . 1.28 109.768 179.682 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . 0.589 HD13 ' O ' ' B' ' 16' ' ' PHE . 2.6 pp -67.68 -44.55 77.53 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 114.639 -1.164 . . . . 1.29 110.943 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . 0.425 HD12 ' HA ' ' B' ' 20' ' ' ILE . 3.7 tp -64.37 -21.44 29.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 121.373 0.606 . . . . 1.4 109.977 178.109 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' SER . . . . . 0.559 ' HB2' ' O ' ' B' ' 17' ' ' LEU . 8.2 t -77.15 -59.07 2.93 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.461 -0.791 . . . . 1.0 111.52 179.543 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 4.7 mptp? -76.02 -39.98 54.51 Favored 'General case' 0 N--CA 1.439 -1.025 0 CA-C-N 115.486 -0.779 . . . . 2.58 111.645 -178.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 2.0 mt -96.69 64.65 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 112.364 0.505 . . . . 1.28 112.364 -178.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . 0.611 ' HB ' ' HD3' ' B' ' 25' ' ' PRO . 52.3 t -66.73 -51.4 39.86 Favored Pre-proline 0 CA--C 1.544 0.745 0 N-CA-C 112.348 0.499 . . . . 1.52 112.348 179.705 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . 0.611 ' HD3' ' HB ' ' B' ' 24' ' ' VAL . 9.8 Cg_endo -78.98 136.76 13.33 Favored 'Trans proline' 0 C--N 1.355 0.903 0 C-N-CA 121.583 1.522 . . . . 1.42 112.282 179.54 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -72.74 49.21 1.48 Allowed 'Trans proline' 0 CA--C 1.538 0.687 0 C-N-CA 122.717 2.278 . . . . 1.46 113.007 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 95.7 m -162.54 126.78 3.1 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.127 -0.488 . . . . 2.8 110.229 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 74.2 m . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.471 -0.776 . . . . 3.84 110.612 -179.925 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 12.1 pm0 . . . . . 0 N--CA 1.489 1.489 0 CA-C-O 121.085 0.469 . . . . 1.16 111.31 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 58.9 pttt -72.03 -18.37 61.96 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.32 0.581 . . . . 1.66 110.691 179.638 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 15.4 ptm -89.63 22.36 3.07 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 113.666 0.987 . . . . 1.31 113.666 -178.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 88.8 m -54.62 -46.97 73.95 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 112.087 0.403 . . . . 1.3 112.087 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 94.0 mt -59.26 -42.55 91.42 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.184 0.516 . . . . 1.45 111.087 179.673 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' CYS . . . . . 0.596 ' O ' ' HG ' ' B' ' 10' ' ' LEU . 31.7 m -65.46 -50.85 63.82 Favored 'General case' 0 C--O 1.219 -0.529 0 CA-C-N 116.154 -0.475 . . . . 1.1 111.717 179.659 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . 0.471 HD11 HG23 ' B' ' 7' ' ' ILE . 0.4 OUTLIER -58.65 -36.04 58.16 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 N-CA-C 108.428 -0.953 . . . . 1.31 108.428 179.51 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 47.6 t -61.19 -28.68 69.31 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 109.097 -0.705 . . . . 0.97 109.097 176.079 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 1.5 t -88.26 -31.52 5.71 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.825 0 C-N-CA 120.404 -0.518 . . . . 1.17 111.397 178.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . 0.596 ' HG ' ' O ' ' B' ' 6' ' ' CYS . 14.4 mt -64.39 -34.46 78.22 Favored 'General case' 0 CA--C 1.509 -0.616 0 N-CA-C 107.438 -1.319 . . . . 1.3 107.438 177.578 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.898 ' HA ' HG23 ' B' ' 14' ' ' THR . 3.9 pp -82.56 -36.44 26.27 Favored 'General case' 0 N--CA 1.441 -0.921 0 CA-C-N 113.96 -1.473 . . . . 1.11 110.361 178.043 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.7 -37.43 76.09 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 107.784 -1.191 . . . . 1.08 107.784 177.396 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 33.7 mt -67.54 -55.41 13.6 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.573 -0.74 . . . . 1.27 110.242 176.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' THR . . . . . 0.898 HG23 ' HA ' ' B' ' 11' ' ' LEU . 5.8 t -59.23 -45.47 91.05 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 111.823 0.305 . . . . 1.15 111.823 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.696 ' N ' HG22 ' B' ' 14' ' ' THR . 76.1 t -62.08 -45.5 98.59 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.064 0 O-C-N 121.642 -0.661 . . . . 1.14 110.096 178.227 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . 0.446 ' CD1' HD13 ' B' ' 19' ' ' LEU . 49.9 t80 -54.82 -35.62 64.12 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 108.808 -0.812 . . . . 1.23 108.808 177.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.579 HD12 ' HA ' ' B' ' 14' ' ' THR . 21.5 mt -72.95 -33.62 66.02 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.975 -0.557 . . . . 1.31 111.056 177.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . 0.581 ' C ' HD12 ' B' ' 18' ' ' LEU . 0.2 OUTLIER -65.56 -49.69 67.94 Favored 'General case' 0 N--CA 1.424 -1.76 0 CA-C-O 121.636 0.731 . . . . 1.15 109.522 179.711 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . 0.646 ' O ' HG12 ' B' ' 23' ' ' ILE . 2.1 pp -67.26 -48.83 66.55 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 114.917 -1.038 . . . . 1.16 110.987 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . 0.606 ' N ' HD12 ' B' ' 19' ' ' LEU . 4.6 tp -54.82 -27.74 19.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 109.705 -0.48 . . . . 1.24 109.705 177.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' SER . . . . . 0.455 ' HB2' ' O ' ' B' ' 18' ' ' LEU . 43.7 m -74.64 -51.92 13.11 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 115.753 -0.658 . . . . 0.48 110.477 177.612 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 14.3 tptt -58.61 -39.71 81.22 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 115.16 -0.927 . . . . 1.63 110.09 179.625 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.646 HG12 ' O ' ' B' ' 19' ' ' LEU . 9.6 mm -65.52 -52.22 53.9 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 CA-C-N 115.841 -0.618 . . . . 1.21 112.106 179.555 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 9.3 m -136.27 130.26 18.16 Favored Pre-proline 0 N--CA 1.463 0.218 0 CA-C-O 121.087 0.47 . . . . 1.3 111.307 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_exo -72.39 117.71 5.26 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.606 2.204 . . . . 1.09 112.748 -179.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 8.7 Cg_endo -66.11 -36.34 29.82 Favored 'Trans proline' 0 N--CA 1.459 -0.53 0 C-N-CA 121.896 1.73 . . . . 1.37 111.496 179.281 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 91.0 m -166.5 119.64 1.05 Allowed 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.96 -0.564 . . . . 2.0 110.49 178.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 49.3 m . . . . . 0 C--O 1.25 1.113 0 CA-C-O 118.288 -0.863 . . . . 3.25 112.074 179.909 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' GLU . . . . . 0.642 ' CB ' ' HB ' ' B' ' 4' ' ' THR . 94.5 mt-10 . . . . . 0 N--CA 1.488 1.455 0 CA-C-O 121.126 0.488 . . . . 1.33 111.747 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 60.3 pttt -77.04 -30.57 55.72 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.77 -0.65 . . . . 1.86 111.511 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 18.1 ptm -108.93 20.7 18.13 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.402 -0.363 . . . . 1.57 111.916 -179.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' THR . . . . . 0.642 ' HB ' ' CB ' ' B' ' 1' ' ' GLU . 7.1 t -57.68 -35.44 70.6 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 112.347 0.499 . . . . 1.16 112.347 -179.345 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 95.1 mt -70.52 -44.4 67.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.953 0.406 . . . . 1.31 111.251 179.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' CYS . . . . . . . . . . . . . 39.8 m -64.08 -49.02 73.9 Favored 'General case' 0 C--O 1.221 -0.4 0 N-CA-C 112.467 0.543 . . . . 0.92 112.467 -179.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . 0.713 ' HA ' HD23 ' B' ' 10' ' ' LEU . 5.3 tp -58.06 -41.7 81.12 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.498 0 N-CA-C 108.562 -0.903 . . . . 1.21 108.562 179.488 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 66.5 m -61.79 -27.07 68.49 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.839 -0.619 . . . . 0.44 109.834 176.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.461 ' HA ' ' HB2' ' B' ' 12' ' ' ALA . 2.1 t -88.47 -34.88 7.35 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.901 0 O-C-N 121.851 -0.531 . . . . 1.24 112.409 179.695 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . 0.713 HD23 ' HA ' ' B' ' 7' ' ' ILE . 4.4 pp -68.65 -29.06 67.46 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 107.682 -1.229 . . . . 1.21 107.682 178.042 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.542 ' HG ' ' O ' ' B' ' 7' ' ' ILE . 4.3 pp -83.65 -34.85 24.93 Favored 'General case' 0 N--CA 1.443 -0.805 0 CA-C-N 115.381 -0.827 . . . . 1.1 109.788 176.69 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . 0.461 ' HB2' ' HA ' ' B' ' 9' ' ' VAL . . . -59.94 -39.14 84.53 Favored 'General case' 0 CA--C 1.512 -0.503 0 N-CA-C 107.725 -1.213 . . . . 1.14 107.725 177.399 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.408 ' O ' ' HG ' ' B' ' 17' ' ' LEU . 30.0 mt -66.25 -49.75 66.11 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.477 -0.783 . . . . 1.28 109.32 176.439 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 98.3 m -57.12 -54.7 43.79 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.912 -0.586 . . . . 1.08 111.829 178.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.593 ' HA ' HD23 ' B' ' 18' ' ' LEU . 83.6 t -58.49 -44.55 89.26 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.169 0 O-C-N 122.104 -0.372 . . . . 1.18 110.846 178.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . 0.435 ' O ' HG22 ' B' ' 20' ' ' ILE . 48.7 t80 -53.24 -41.25 65.24 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.095 -0.706 . . . . 0.97 109.095 178.194 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.603 ' O ' ' HB2' ' B' ' 21' ' ' SER . 22.6 mt -68.15 -34.48 76.42 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.89 -0.596 . . . . 1.23 111.176 177.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . 0.593 HD23 ' HA ' ' B' ' 15' ' ' VAL . 0.2 OUTLIER -65.49 -48.12 73.69 Favored 'General case' 0 N--CA 1.423 -1.777 0 CA-C-O 121.625 0.726 . . . . 1.17 110.046 179.819 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . 0.431 ' N ' ' HG ' ' B' ' 18' ' ' LEU . 1.6 pp -66.38 -49.54 66.5 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 114.899 -1.046 . . . . 1.18 111.649 -179.327 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . 0.538 HG12 ' HA ' ' B' ' 17' ' ' LEU . 32.1 pt -61.81 -23.2 30.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 C-N-CA 120.215 -0.594 . . . . 1.25 109.968 177.667 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' SER . . . . . 0.603 ' HB2' ' O ' ' B' ' 17' ' ' LEU . 7.9 t -71.32 -61.83 1.63 Allowed 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.578 -0.737 . . . . 0.83 111.076 179.426 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 1.1 tptm -72.01 -41.25 67.81 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 115.221 -0.899 . . . . 1.4 111.306 -179.403 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 2.4 mt -93.97 64.5 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 112.422 0.527 . . . . 1.24 112.422 -178.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 15.8 m -67.3 137.27 93.84 Favored Pre-proline 0 CA--C 1.534 0.327 0 CA-C-O 121.109 0.48 . . . . 1.28 111.405 179.272 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -73.03 129.92 14.8 Favored 'Trans proline' 0 CA--C 1.535 0.527 0 C-N-CA 122.022 1.815 . . . . 1.2 112.687 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -69.08 48.07 0.49 Allowed 'Trans proline' 0 N--CA 1.48 0.708 0 C-N-CA 123.661 2.907 . . . . 1.78 113.691 -179.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 92.4 m -163.14 -52.86 0.04 OUTLIER 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.187 -0.461 . . . . 1.81 109.933 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 65.0 m . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.325 -0.845 . . . . 2.02 112.218 179.526 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 . . . . . 0 N--CA 1.487 1.422 0 CA-C-O 120.835 0.35 . . . . 1.35 111.043 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 56.2 pttt -62.41 -18.95 62.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.483 0.659 . . . . 2.26 110.284 178.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' MET . . . . . 0.431 ' HB3' ' HE3' ' B' ' 3' ' ' MET . 19.8 ptp -105.6 10.06 33.11 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 115.201 -0.909 . . . . 1.72 112.272 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 20.7 m -58.18 -46.9 84.94 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-O 120.887 0.375 . . . . 1.36 111.739 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.584 HD23 ' H ' ' B' ' 5' ' ' LEU . 0.9 OUTLIER -66.53 -38.13 86.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.969 0.414 . . . . 1.64 110.97 179.133 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' CYS . . . . . 0.587 ' O ' ' HG ' ' B' ' 10' ' ' LEU . 30.8 m -65.57 -52.6 51.01 Favored 'General case' 0 C--O 1.22 -0.484 0 N-CA-C 112.277 0.473 . . . . 1.0 112.277 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . 0.44 ' HA ' ' HG ' ' B' ' 10' ' ' LEU . 15.3 tt -59.49 -35.52 59.38 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.524 0 N-CA-C 108.925 -0.769 . . . . 1.36 108.925 179.586 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 43.7 t -61.95 -28.22 69.39 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 108.792 -0.818 . . . . 1.12 108.792 175.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.543 ' HA ' ' HB3' ' B' ' 12' ' ' ALA . 1.5 t -87.13 -31.9 6.17 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.747 0 C-N-CA 120.474 -0.49 . . . . 1.28 111.422 178.649 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . 0.587 ' HG ' ' O ' ' B' ' 6' ' ' CYS . 14.3 mt -64.83 -34.49 78.5 Favored 'General case' 0 CA--C 1.509 -0.61 0 N-CA-C 107.496 -1.298 . . . . 1.24 107.496 177.659 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' B' ' 7' ' ' ILE . 4.0 pp -83.01 -34.48 26.29 Favored 'General case' 0 C--O 1.213 -0.824 0 CA-C-N 114.06 -1.427 . . . . 1.23 110.235 178.095 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . 0.543 ' HB3' ' HA ' ' B' ' 9' ' ' VAL . . . -60.02 -38.66 83.33 Favored 'General case' 0 CA--C 1.515 -0.393 0 N-CA-C 107.756 -1.201 . . . . 1.12 107.756 177.253 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 29.9 mt -66.64 -50.48 62.81 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.346 -0.843 . . . . 1.35 109.441 176.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 89.8 m -57.49 -54.32 48.17 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.881 -0.6 . . . . 1.29 111.66 178.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.718 HG13 HD23 ' B' ' 18' ' ' LEU . 54.6 t -56.71 -47.97 81.63 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.153 0 O-C-N 122.21 -0.306 . . . . 1.19 110.542 178.656 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . 0.826 ' HA ' HD11 ' B' ' 19' ' ' LEU . 28.0 t80 -51.93 -42.85 63.14 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.281 -0.637 . . . . 1.01 109.281 178.49 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 24.1 mt -68.01 -26.68 66.02 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 116.126 -0.488 . . . . 1.27 111.064 177.596 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . 0.718 HD23 HG13 ' B' ' 15' ' ' VAL . 0.1 OUTLIER -64.61 -53.97 39.31 Favored 'General case' 0 N--CA 1.416 -2.152 0 N-CA-C 109.223 -0.658 . . . . 1.28 109.223 179.053 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . 0.848 ' O ' HG13 ' B' ' 23' ' ' ILE . 0.0 OUTLIER -70.14 -36.07 74.5 Favored 'General case' 0 C--O 1.217 -0.616 0 C-N-CA 118.124 -1.43 . . . . 1.19 111.285 179.786 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . 0.473 HG12 ' O ' ' B' ' 16' ' ' PHE . 13.6 mm -55.81 -33.37 34.32 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 N-CA-C 108.833 -0.802 . . . . 1.21 108.833 176.218 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' SER . . . . . 0.414 ' HB2' ' O ' ' B' ' 18' ' ' LEU . 73.2 m -72.93 -49.06 31.76 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 115.003 -0.999 . . . . 0.69 110.466 177.751 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 6.9 tptp -56.9 -39.36 74.26 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 115.006 -0.997 . . . . 1.75 110.08 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.848 HG13 ' O ' ' B' ' 19' ' ' LEU . 33.9 mt -68.79 -47.57 75.57 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 CA-C-N 115.751 -0.659 . . . . 1.29 112.013 179.27 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . 0.463 ' HA ' ' HD3' ' B' ' 25' ' ' PRO . 6.5 p -158.0 128.54 3.54 Favored Pre-proline 0 CA--C 1.536 0.434 0 CA-C-O 121.248 0.547 . . . . 1.61 111.858 -179.517 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' B' ' 24' ' ' VAL . 7.4 Cg_exo -73.88 119.36 5.84 Favored 'Trans proline' 0 CA--C 1.532 0.381 0 C-N-CA 122.616 2.211 . . . . 1.52 112.719 -179.766 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_exo -62.22 -35.18 75.92 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 123.004 2.469 . . . . 2.03 112.083 179.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 94.9 m -161.35 119.26 2.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.824 -0.626 . . . . 2.56 109.977 179.344 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 30.3 t . . . . . 0 C--O 1.253 1.275 0 CA-C-O 118.15 -0.929 . . . . 3.56 111.098 -179.443 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' GLU . . . . . 1.042 ' HB2' ' HB ' ' B' ' 4' ' ' THR . 2.7 mp0 . . . . . 0 N--CA 1.494 1.733 0 CA-C-O 120.86 0.362 . . . . 1.34 111.425 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 57.8 pttt -62.12 -20.7 64.35 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.404 -0.816 . . . . 1.66 111.505 179.39 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' MET . . . . . 0.443 ' HE2' ' HB ' ' B' ' 7' ' ' ILE . 15.5 ptm -133.73 25.34 4.02 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.857 -0.61 . . . . 1.41 111.745 -179.429 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' THR . . . . . 1.042 ' HB ' ' HB2' ' B' ' 1' ' ' GLU . 11.6 t -57.89 -37.16 73.48 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 115.995 -0.548 . . . . 1.28 112.267 -179.411 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.469 ' N ' HG23 ' B' ' 4' ' ' THR . 94.8 mt -70.41 -43.5 69.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.017 0.436 . . . . 1.49 111.153 179.612 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' CYS . . . . . . . . . . . . . 35.9 m -63.47 -49.46 73.53 Favored 'General case' 0 C--O 1.222 -0.357 0 N-CA-C 112.596 0.591 . . . . 1.15 112.596 -179.61 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . 0.688 ' HA ' ' HG ' ' B' ' 10' ' ' LEU . 14.0 tt -60.26 -38.61 78.02 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.564 0 N-CA-C 108.806 -0.812 . . . . 1.27 108.806 179.596 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' SER . . . . . 0.414 ' N ' HG21 ' B' ' 7' ' ' ILE . 67.6 m -61.57 -26.96 68.29 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 109.187 -0.671 . . . . 0.42 109.187 176.107 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.454 ' HA ' ' HB1' ' B' ' 12' ' ' ALA . 2.1 t -88.06 -34.46 7.23 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.922 0 C-N-CA 120.447 -0.501 . . . . 1.22 112.051 179.191 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . 0.688 ' HG ' ' HA ' ' B' ' 7' ' ' ILE . 4.7 pp -68.35 -28.7 67.37 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 107.839 -1.171 . . . . 1.25 107.839 178.069 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.526 ' HG ' ' O ' ' B' ' 7' ' ' ILE . 4.1 pp -84.67 -34.84 22.93 Favored 'General case' 0 N--CA 1.442 -0.836 0 CA-C-N 115.533 -0.758 . . . . 1.11 109.763 176.845 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . 0.454 ' HB1' ' HA ' ' B' ' 9' ' ' VAL . . . -59.72 -39.19 83.83 Favored 'General case' 0 CA--C 1.513 -0.472 0 N-CA-C 107.645 -1.242 . . . . 1.11 107.645 177.318 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.415 ' O ' ' HG ' ' B' ' 17' ' ' LEU . 32.5 mt -66.52 -50.28 63.75 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.418 -0.81 . . . . 1.36 109.25 176.526 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 94.6 m -56.4 -54.46 45.35 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.988 -0.551 . . . . 1.27 111.876 178.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.803 HG11 HD23 ' B' ' 18' ' ' LEU . 82.3 t -59.28 -44.07 91.35 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.184 0 O-C-N 122.123 -0.361 . . . . 1.12 110.921 178.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . 0.514 ' O ' HG23 ' B' ' 20' ' ' ILE . 23.9 t80 -53.93 -40.22 66.55 Favored 'General case' 0 C--O 1.225 -0.232 0 N-CA-C 108.819 -0.808 . . . . 2.56 108.819 178.419 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.646 HD22 HD13 ' B' ' 20' ' ' ILE . 22.8 mt -68.77 -35.4 77.02 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.766 -0.652 . . . . 1.33 111.003 177.553 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . 0.803 HD23 HG11 ' B' ' 15' ' ' VAL . 0.1 OUTLIER -63.56 -48.96 75.31 Favored 'General case' 0 N--CA 1.422 -1.834 0 CA-C-O 121.532 0.682 . . . . 1.18 109.787 179.685 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . 0.874 ' O ' HG12 ' B' ' 23' ' ' ILE . 1.7 pp -66.42 -50.9 61.85 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 115.175 -0.921 . . . . 0.85 111.925 -179.498 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . 0.646 HD13 HD22 ' B' ' 17' ' ' LEU . 33.6 pt -54.88 -26.98 18.1 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-N 118.989 0.813 . . . . 1.26 109.765 177.839 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' SER . . . . . 0.432 ' HB2' ' O ' ' B' ' 18' ' ' LEU . 69.7 m -75.09 -51.78 12.64 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.56 -0.745 . . . . 0.67 110.266 177.308 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . 0.507 ' HD2' ' HA ' ' B' ' 19' ' ' LEU . 0.3 OUTLIER -63.75 -26.2 68.54 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.447 -0.797 . . . . 1.23 111.976 -179.786 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.874 HG12 ' O ' ' B' ' 19' ' ' LEU . 13.1 mm -45.84 -45.53 5.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 N-CA-C 113.818 1.044 . . . . 1.23 113.818 -179.508 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . 0.408 ' HA ' ' HD3' ' B' ' 25' ' ' PRO . 28.5 m -69.46 130.24 90.9 Favored Pre-proline 0 CA--C 1.539 0.552 0 CA-C-O 121.265 0.555 . . . . 1.29 112.453 -179.191 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . 0.468 ' HB2' ' HD3' ' B' ' 26' ' ' PRO . 51.4 Cg_exo -54.7 -49.14 17.78 Favored 'Trans proline' 0 CA--C 1.55 1.293 0 C-N-CA 123.241 2.627 . . . . 0.99 114.608 -179.531 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' PRO . . . . . 0.468 ' HD3' ' HB2' ' B' ' 25' ' ' PRO . 73.9 Cg_endo -83.21 -115.1 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.194 0 C-N-CA 121.744 1.629 . . . . 0.91 112.776 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 93.1 m -159.17 -47.89 0.06 Allowed 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 120.869 0.366 . . . . 1.82 111.221 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 74.3 m . . . . . 0 C--O 1.251 1.172 0 CA-C-O 117.854 -1.069 . . . . 2.07 110.642 179.762 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 47.8 mp0 . . . . . 0 N--CA 1.489 1.493 0 CA-C-O 120.776 0.322 . . . . 2.2 111.808 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 57.2 pttt -64.97 -24.71 67.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.285 0.564 . . . . 2.02 110.618 178.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 17.4 ptp -79.85 13.47 2.15 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 115.709 -0.678 . . . . 2.02 112.193 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' THR . . . . . 0.401 HG23 ' N ' ' B' ' 5' ' ' LEU . 5.7 t -56.97 -38.82 73.54 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 120.934 0.397 . . . . 1.3 111.88 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.401 ' N ' HG23 ' B' ' 4' ' ' THR . 89.4 mt -69.37 -41.54 76.4 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 121.134 0.493 . . . . 1.48 110.691 179.004 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' CYS . . . . . 0.608 ' O ' ' HG ' ' B' ' 10' ' ' LEU . 20.4 m -64.16 -52.64 58.04 Favored 'General case' 0 C--O 1.222 -0.385 0 CA-C-N 115.984 -0.553 . . . . 1.17 112.247 -179.795 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . 0.471 ' O ' ' HG ' ' B' ' 11' ' ' LEU . 7.9 tp -58.05 -36.69 57.79 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.444 0 N-CA-C 108.886 -0.783 . . . . 1.41 108.886 179.605 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' SER . . . . . 0.508 ' HA ' HD22 ' B' ' 11' ' ' LEU . 71.3 m -61.68 -28.16 69.2 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 109.273 -0.64 . . . . 0.85 109.273 176.146 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 1.8 t -87.43 -32.56 6.31 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.807 0 C-N-CA 120.439 -0.504 . . . . 1.29 111.387 178.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . 0.608 ' HG ' ' O ' ' B' ' 6' ' ' CYS . 14.2 mt -64.99 -34.06 77.53 Favored 'General case' 0 CA--C 1.509 -0.632 0 N-CA-C 107.545 -1.279 . . . . 1.4 107.545 177.664 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.508 HD22 ' HA ' ' B' ' 8' ' ' SER . 4.1 pp -83.15 -34.73 25.97 Favored 'General case' 0 C--O 1.213 -0.82 0 CA-C-N 114.132 -1.395 . . . . 1.38 110.265 178.115 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . 0.422 ' HB2' ' O ' ' B' ' 8' ' ' SER . . . -59.9 -39.41 85.27 Favored 'General case' 0 CA--C 1.515 -0.386 0 N-CA-C 107.528 -1.286 . . . . 1.22 107.528 177.288 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.405 ' O ' ' HG ' ' B' ' 17' ' ' LEU . 30.0 mt -65.77 -50.54 64.37 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.449 -0.796 . . . . 1.3 109.295 176.492 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' THR . . . . . 0.455 ' HA ' HD11 ' B' ' 17' ' ' LEU . 93.9 m -56.85 -54.28 48.23 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.916 -0.584 . . . . 1.27 112.031 178.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.877 HG12 HD22 ' B' ' 18' ' ' LEU . 82.2 t -58.51 -46.03 89.95 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.143 0 O-C-N 122.057 -0.402 . . . . 1.38 110.958 179.141 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . 0.452 ' O ' HD12 ' B' ' 19' ' ' LEU . 2.9 m-30 -54.24 -39.95 67.28 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-O 121.435 0.636 . . . . 1.27 109.299 178.136 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.666 HD21 HD13 ' B' ' 20' ' ' ILE . 22.9 mt -66.69 -35.23 79.63 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.123 -0.49 . . . . 1.29 110.981 177.503 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . 0.877 HD22 HG12 ' B' ' 15' ' ' VAL . 0.2 OUTLIER -63.72 -49.71 72.02 Favored 'General case' 0 N--CA 1.423 -1.791 0 CA-C-O 121.445 0.64 . . . . 1.34 110.146 179.845 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . 0.787 HD12 HG23 ' B' ' 20' ' ' ILE . 1.4 pp -66.37 -44.9 81.87 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.003 -0.998 . . . . 1.4 112.401 -179.246 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . 0.787 HG23 HD12 ' B' ' 19' ' ' LEU . 33.5 pt -64.96 -21.87 30.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 C-N-CA 120.251 -0.58 . . . . 1.28 110.068 178.061 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 75.4 m -86.99 -55.66 3.73 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 115.935 -0.575 . . . . 0.54 112.062 179.696 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . 0.553 ' HB3' HG11 ' B' ' 24' ' ' VAL . 12.7 mptt -81.47 -7.5 59.59 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 115.986 -0.552 . . . . 1.74 112.331 -178.611 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 25.6 mt 31.79 64.08 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.553 0 C-N-CA 123.951 0.901 . . . . 1.37 113.049 179.061 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . 0.598 HG21 ' HD2' ' B' ' 25' ' ' PRO . 7.6 p -143.95 134.12 11.97 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 115.406 -0.815 . . . . 2.13 110.677 -178.8 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . 0.598 ' HD2' HG21 ' B' ' 24' ' ' VAL . 3.6 Cg_exo -66.57 125.35 13.71 Favored 'Trans proline' 0 N--CA 1.458 -0.585 0 C-N-CA 121.799 1.666 . . . . 2.37 112.588 -179.732 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -60.48 -25.66 81.04 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.763 2.309 . . . . 3.37 111.513 179.23 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 5.8 t -169.7 -26.68 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 115.314 -0.857 . . . . 4.12 111.055 178.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 66.5 m . . . . . 0 C--O 1.252 1.219 0 CA-C-O 117.919 -1.039 . . . . 5.23 110.547 179.336 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 12.0 ptt? . . . . . 0 N--CA 1.467 0.406 0 CA-C-O 120.888 0.375 . . . . 1.1000000000000001 111.53 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 12.3 t -56.86 -38.18 72.35 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 115.988 -0.551 . . . . 0.55000000000000004 112.197 -179.306 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 93.7 mt -69.72 -43.74 71.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.895 0.379 . . . . 0.67000000000000004 111.298 179.522 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 6' ' ' CYS . . . . . . . . . . . . . 28.5 m -63.88 -50.53 68.42 Favored 'General case' 0 C--O 1.223 -0.336 0 N-CA-C 112.6 0.593 . . . . 0.53000000000000003 112.6 -179.322 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 7' ' ' ILE . . . . . 0.621 ' HA ' ' HG ' ' B' ' 10' ' ' LEU . 14.9 tt -60.05 -38.82 78.36 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.5 0 N-CA-C 108.809 -0.811 . . . . 0.54000000000000004 108.809 179.646 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 36.9 t -61.22 -26.8 67.98 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 108.944 -0.761 . . . . 0.5 108.944 176.282 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 1.8 t -88.82 -34.7 7.11 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.853 0 O-C-N 121.962 -0.461 . . . . 0.46000000000000002 112.238 179.393 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.621 ' HG ' ' HA ' ' B' ' 7' ' ' ILE . 4.7 pp -67.77 -28.87 67.98 Favored 'General case' 0 C--O 1.238 0.468 0 N-CA-C 107.88 -1.156 . . . . 0.47999999999999998 107.88 177.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.898 ' HA ' HG22 ' B' ' 14' ' ' THR . 4.1 pp -84.56 -35.61 22.69 Favored 'General case' 0 N--CA 1.439 -0.995 0 CA-C-N 115.204 -0.907 . . . . 0.41999999999999998 109.967 176.89 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 12' ' ' ALA . . . . . 0.449 ' N ' HD12 ' B' ' 11' ' ' LEU . . . -59.26 -38.26 79.64 Favored 'General case' 0 CA--C 1.514 -0.404 0 N-CA-C 107.685 -1.228 . . . . 0.32000000000000001 107.685 177.326 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.407 ' O ' ' HG ' ' B' ' 17' ' ' LEU . 32.1 mt -66.97 -54.32 23.03 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.439 -0.8 . . . . 0.40999999999999998 110.309 176.761 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 14' ' ' THR . . . . . 0.898 HG22 ' HA ' ' B' ' 11' ' ' LEU . 4.4 t -59.96 -45.93 91.06 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 111.832 0.308 . . . . 0.40999999999999998 111.832 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.571 ' HA ' HD23 ' B' ' 18' ' ' LEU . 71.4 t -62.18 -44.82 99.53 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.168 0 O-C-N 121.557 -0.714 . . . . 0.40000000000000002 110.078 178.427 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 16' ' ' PHE . . . . . 0.544 ' O ' HG23 ' B' ' 20' ' ' ILE . 49.0 t80 -54.42 -38.42 66.24 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 108.557 -0.905 . . . . 0.64000000000000001 108.557 177.846 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.705 HD12 ' HA ' ' B' ' 14' ' ' THR . 21.4 mt -69.03 -35.46 76.65 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.828 -0.623 . . . . 0.44 111.096 177.831 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.581 ' C ' HD12 ' B' ' 18' ' ' LEU . 0.2 OUTLIER -63.95 -49.07 74.02 Favored 'General case' 0 N--CA 1.422 -1.859 0 CA-C-O 121.393 0.616 . . . . 0.42999999999999999 109.977 179.708 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.576 HD12 ' N ' ' B' ' 20' ' ' ILE . 1.8 pp -66.7 -49.43 66.1 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.099 -0.955 . . . . 0.37 112.167 -179.232 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 20' ' ' ILE . . . . . 0.576 ' N ' HD12 ' B' ' 19' ' ' LEU . 36.4 pt -56.41 -27.3 24.32 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 CA-C-N 118.811 0.732 . . . . 0.37 109.327 177.722 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 64.0 m -76.43 -53.15 8.53 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.489 -0.778 . . . . 0.34999999999999998 109.836 177.102 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' LYS . . . . . 0.411 ' HA ' ' HD2' ' B' ' 22' ' ' LYS . 7.3 tptp . . . . . 0 N--CA 1.448 -0.55 0 CA-C-N 115.19 -0.914 . . . . 0.56999999999999995 112.383 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 22.4 ptt? . . . . . 0 CA--C 1.537 0.452 0 CA-C-O 120.82 0.343 . . . . 0.98999999999999999 111.784 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 6.3 t -57.62 -35.05 69.95 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 112.505 0.558 . . . . 0.67000000000000004 112.505 -178.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 95.6 mt -68.5 -41.98 79.26 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-O 121.423 0.63 . . . . 0.93000000000000005 110.802 179.203 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 6' ' ' CYS . . . . . . . . . . . . . 44.8 m -65.94 -49.72 66.95 Favored 'General case' 0 C--O 1.221 -0.395 0 CA-C-N 115.8 -0.636 . . . . 0.66000000000000003 112.434 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 7' ' ' ILE . . . . . 0.645 ' HA ' ' HG ' ' B' ' 10' ' ' LEU . 19.0 tt -60.17 -36.69 69.71 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.411 0 N-CA-C 109.008 -0.738 . . . . 1.45 109.008 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 69.6 m -62.33 -28.11 69.52 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 108.957 -0.757 . . . . 0.54000000000000004 108.957 175.812 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 2.0 t -87.09 -33.81 7.13 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.958 0 C-N-CA 120.5 -0.48 . . . . 0.71999999999999997 111.905 179.055 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.645 ' HG ' ' HA ' ' B' ' 7' ' ' ILE . 4.6 pp -68.68 -28.97 67.33 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 107.851 -1.166 . . . . 0.67000000000000004 107.851 177.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' B' ' 7' ' ' ILE . 4.2 pp -84.51 -34.21 23.37 Favored 'General case' 0 N--CA 1.442 -0.856 0 CA-C-N 115.425 -0.807 . . . . 0.48999999999999999 109.802 176.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 12' ' ' ALA . . . . . 0.429 ' N ' HD12 ' B' ' 11' ' ' LEU . . . -60.13 -39.53 86.62 Favored 'General case' 0 CA--C 1.512 -0.485 0 N-CA-C 107.527 -1.286 . . . . 0.46999999999999997 107.527 177.215 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 30.7 mt -66.15 -50.0 65.5 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.475 -0.784 . . . . 0.75 109.352 176.458 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 99.3 m -56.83 -54.78 42.45 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.983 -0.553 . . . . 0.71999999999999997 111.839 178.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.674 ' HA ' HD23 ' B' ' 18' ' ' LEU . 77.7 t -58.43 -44.67 89.3 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.15 0 O-C-N 122.212 -0.305 . . . . 0.55000000000000004 110.809 178.878 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 16' ' ' PHE . . . . . 0.469 ' CD1' HD11 ' B' ' 19' ' ' LEU . 42.2 t80 -53.95 -40.05 66.48 Favored 'General case' 0 C--O 1.223 -0.314 0 N-CA-C 109.197 -0.668 . . . . 0.72999999999999998 109.197 178.434 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 21.6 mt -70.71 -32.02 69.07 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.101 -0.499 . . . . 0.77000000000000002 111.186 177.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.674 HD23 ' HA ' ' B' ' 15' ' ' VAL . 0.1 OUTLIER -66.32 -49.08 68.24 Favored 'General case' 0 N--CA 1.424 -1.76 0 CA-C-O 121.618 0.723 . . . . 0.70999999999999996 109.548 179.667 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.563 HD12 ' N ' ' B' ' 20' ' ' ILE . 1.6 pp -66.58 -48.24 70.21 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.011 -0.995 . . . . 0.46999999999999997 110.31 179.652 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 20' ' ' ILE . . . . . 0.563 ' N ' HD12 ' B' ' 19' ' ' LEU . 11.9 mm -52.45 -31.51 15.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.373 0.606 . . . . 0.64000000000000001 109.401 176.657 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 21' ' ' SER . . . . . 0.501 ' HB2' ' O ' ' B' ' 18' ' ' LEU . 58.6 m -72.99 -51.43 18.3 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.373 -0.83 . . . . 0.72999999999999998 111.001 177.694 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 6.5 tptp . . . . . 0 N--CA 1.443 -0.786 0 CA-C-N 115.751 -0.659 . . . . 1.5 110.2 179.932 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 15.0 ptp . . . . . 0 N--CA 1.468 0.442 0 CA-C-O 120.816 0.341 . . . . 1.2 111.613 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 5.6 t -57.89 -34.91 70.29 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 112.302 0.482 . . . . 0.84999999999999998 112.302 -179.009 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 95.9 mt -71.11 -39.71 71.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.392 0.615 . . . . 1.0800000000000001 110.444 178.738 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 6' ' ' CYS . . . . . 0.627 ' O ' ' HG ' ' B' ' 10' ' ' LEU . 20.9 m -65.04 -52.07 57.94 Favored 'General case' 0 C--O 1.218 -0.6 0 CA-C-N 115.823 -0.626 . . . . 0.67000000000000004 111.96 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 7' ' ' ILE . . . . . 0.456 ' O ' ' HG ' ' B' ' 11' ' ' LEU . 1.3 tp -56.91 -37.32 53.62 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 N-CA-C 108.717 -0.845 . . . . 1.1899999999999999 108.717 179.347 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 67.0 m -61.49 -29.04 69.72 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 109.42 -0.585 . . . . 0.47999999999999998 109.42 176.225 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 1.8 t -87.3 -32.19 6.22 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.836 0 O-C-N 121.845 -0.535 . . . . 0.63 111.432 178.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.627 ' HG ' ' O ' ' B' ' 6' ' ' CYS . 13.6 mt -64.88 -34.53 78.6 Favored 'General case' 0 CA--C 1.507 -0.693 0 N-CA-C 107.406 -1.331 . . . . 0.5 107.406 177.533 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' B' ' 7' ' ' ILE . 4.1 pp -82.91 -34.38 26.63 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 114.212 -1.358 . . . . 0.41999999999999998 110.388 178.136 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.94 -39.06 84.25 Favored 'General case' 0 CA--C 1.512 -0.483 0 N-CA-C 107.544 -1.28 . . . . 0.48999999999999999 107.544 177.115 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 28.2 mt -66.07 -50.85 62.67 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.563 -0.744 . . . . 0.68999999999999995 109.221 176.38 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 92.4 m -56.11 -54.41 45.4 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.88 -0.6 . . . . 0.58999999999999997 111.823 178.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.655 ' HA ' HD23 ' B' ' 18' ' ' LEU . 83.1 t -58.45 -46.2 89.66 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.13 0 O-C-N 122.177 -0.327 . . . . 0.54000000000000004 110.987 178.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 16' ' ' PHE . . . . . 0.428 ' O ' HG12 ' B' ' 20' ' ' ILE . 3.0 m-30 -54.69 -38.15 66.65 Favored 'General case' 0 C--O 1.221 -0.408 0 CA-C-O 121.416 0.627 . . . . 0.81999999999999995 109.506 178.268 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 20.6 mt -70.49 -32.26 69.71 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.349 -0.387 . . . . 0.83999999999999997 110.943 177.523 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.655 HD23 ' HA ' ' B' ' 15' ' ' VAL . 0.2 OUTLIER -66.35 -48.72 69.3 Favored 'General case' 0 N--CA 1.427 -1.62 0 CA-C-O 121.605 0.717 . . . . 0.68999999999999995 109.669 179.491 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.506 HD12 ' N ' ' B' ' 20' ' ' ILE . 1.6 pp -67.16 -45.85 75.77 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 114.892 -1.049 . . . . 0.66000000000000003 110.538 179.784 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 20' ' ' ILE . . . . . 0.506 ' N ' HD12 ' B' ' 19' ' ' LEU . 13.8 mm -58.55 -27.09 32.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 121.443 0.64 . . . . 0.84999999999999998 109.496 176.776 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 21' ' ' SER . . . . . 0.514 ' HB2' ' O ' ' B' ' 18' ' ' LEU . 29.8 m -73.22 -61.03 1.96 Allowed 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.634 -0.712 . . . . 0.85999999999999999 111.562 178.431 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 13.4 tptt . . . . . 0 N--CA 1.445 -0.695 0 CA-C-N 115.835 -0.62 . . . . 1.4199999999999999 111.026 -179.256 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 22.5 ptt? . . . . . 0 N--CA 1.465 0.311 0 CA-C-O 120.797 0.332 . . . . 1.4299999999999999 111.456 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 3.3 t -58.63 -41.02 85.0 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.967 -0.561 . . . . 0.66000000000000003 111.725 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 90.2 mt -68.96 -42.07 77.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.3 0.572 . . . . 0.91000000000000003 110.667 179.217 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 6' ' ' CYS . . . . . 0.588 ' O ' ' HG ' ' B' ' 10' ' ' LEU . 23.2 m -63.99 -52.0 61.66 Favored 'General case' 0 C--O 1.22 -0.474 0 CA-C-N 115.967 -0.56 . . . . 0.64000000000000001 112.28 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 7' ' ' ILE . . . . . 0.437 ' O ' ' HG ' ' B' ' 11' ' ' LEU . 15.1 tt -58.85 -35.58 56.9 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.463 0 N-CA-C 109.065 -0.717 . . . . 0.75 109.065 179.733 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 44.1 t -61.52 -28.14 69.11 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 108.85 -0.796 . . . . 0.57999999999999996 108.85 175.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 1.6 t -88.08 -32.03 5.93 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.921 0 C-N-CA 120.679 -0.409 . . . . 0.62 111.578 178.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.588 ' HG ' ' O ' ' B' ' 6' ' ' CYS . 14.3 mt -64.39 -34.46 78.22 Favored 'General case' 0 CA--C 1.508 -0.661 0 N-CA-C 107.583 -1.266 . . . . 0.59999999999999998 107.583 177.651 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' B' ' 7' ' ' ILE . 3.8 pp -83.38 -35.82 24.8 Favored 'General case' 0 N--CA 1.442 -0.832 0 CA-C-N 114.033 -1.44 . . . . 0.54000000000000004 110.227 177.88 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 12' ' ' ALA . . . . . 0.41 ' O ' ' HB2' ' B' ' 16' ' ' PHE . . . -58.67 -37.81 76.83 Favored 'General case' 0 CA--C 1.512 -0.489 0 N-CA-C 107.668 -1.234 . . . . 0.40999999999999998 107.668 177.484 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 28.2 mt -68.06 -53.38 26.09 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.542 -0.754 . . . . 0.55000000000000004 109.878 176.76 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' THR . . . . . 0.529 ' HA ' HD12 ' B' ' 17' ' ' LEU . 0.5 OUTLIER -58.04 -46.75 84.82 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 116.517 -0.311 . . . . 1.1799999999999999 111.571 179.607 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.561 ' HA ' HD23 ' B' ' 18' ' ' LEU . 76.2 t -63.6 -44.85 98.73 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.2 0 O-C-N 121.596 -0.69 . . . . 0.5 110.618 178.631 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 16' ' ' PHE . . . . . 0.664 ' O ' ' HB ' ' B' ' 20' ' ' ILE . 15.8 t80 -55.13 -35.36 64.61 Favored 'General case' 0 C--O 1.224 -0.274 0 N-CA-C 108.749 -0.834 . . . . 2.0499999999999998 108.749 178.211 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.529 HD12 ' HA ' ' B' ' 14' ' ' THR . 22.4 mt -74.04 -32.81 63.48 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.914 -0.585 . . . . 0.59999999999999998 110.972 177.576 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.57 HD12 ' C ' ' B' ' 18' ' ' LEU . 0.2 OUTLIER -64.24 -50.41 68.11 Favored 'General case' 0 N--CA 1.422 -1.86 0 N-CA-C 109.237 -0.653 . . . . 0.54000000000000004 109.237 179.506 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.557 HD12 ' N ' ' B' ' 20' ' ' ILE . 2.3 pp -68.82 -41.94 77.92 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.142 -0.935 . . . . 0.46999999999999997 110.786 179.484 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 20' ' ' ILE . . . . . 0.664 ' HB ' ' O ' ' B' ' 16' ' ' PHE . 1.3 tp -55.79 -28.5 23.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 108.949 -0.76 . . . . 0.77000000000000002 108.949 177.545 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 69.3 m -83.88 -51.47 7.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.993 -1.003 . . . . 0.47999999999999998 109.865 177.467 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 7.2 tptp . . . . . 0 N--CA 1.448 -0.55 0 CA-C-N 114.921 -1.036 . . . . 0.69999999999999996 112.953 -179.215 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 16.4 ptp . . . . . 0 N--CA 1.468 0.459 0 N-CA-C 112.471 0.545 . . . . 2.0299999999999998 112.471 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 6.8 t -57.61 -39.99 78.13 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 111.997 0.369 . . . . 1.1699999999999999 111.997 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 91.0 mt -69.16 -41.27 77.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.187 0.518 . . . . 1.26 110.628 178.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 6' ' ' CYS . . . . . 0.618 ' O ' ' HG ' ' B' ' 10' ' ' LEU . 34.6 m -65.09 -52.16 57.15 Favored 'General case' 0 C--O 1.219 -0.518 0 CA-C-N 115.946 -0.57 . . . . 0.76000000000000001 112.252 -179.699 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 7' ' ' ILE . . . . . 0.469 ' O ' ' HG ' ' B' ' 11' ' ' LEU . 7.8 tp -58.51 -35.83 56.44 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.468 0 N-CA-C 108.686 -0.857 . . . . 0.88 108.686 179.422 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 27.1 t -61.35 -29.65 70.03 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 109.017 -0.734 . . . . 0.93000000000000005 109.017 176.177 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 1.8 t -87.07 -32.38 6.36 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.795 0 C-N-CA 120.491 -0.483 . . . . 1.05 111.659 178.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.618 ' HG ' ' O ' ' B' ' 6' ' ' CYS . 14.9 mt -64.74 -34.39 78.21 Favored 'General case' 0 CA--C 1.507 -0.684 0 N-CA-C 107.475 -1.306 . . . . 0.95999999999999996 107.475 177.805 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' B' ' 7' ' ' ILE . 3.9 pp -82.84 -34.82 26.75 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 114.219 -1.355 . . . . 0.58999999999999997 110.147 177.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.71 -38.71 82.35 Favored 'General case' 0 CA--C 1.514 -0.411 0 N-CA-C 107.753 -1.203 . . . . 0.82999999999999996 107.753 177.318 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 32.0 mt -66.88 -50.89 61.05 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.535 -0.757 . . . . 1.3100000000000001 109.361 176.476 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 91.6 m -55.97 -54.45 44.67 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.8 -0.636 . . . . 0.66000000000000003 111.761 178.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.662 ' HA ' HD23 ' B' ' 18' ' ' LEU . 81.1 t -59.12 -44.67 92.14 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.206 0 O-C-N 122.157 -0.339 . . . . 0.64000000000000001 110.801 178.792 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 16' ' ' PHE . . . . . 0.474 ' CD1' HD11 ' B' ' 19' ' ' LEU . 43.0 t80 -53.8 -39.65 65.67 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-O 121.602 0.715 . . . . 1.5900000000000001 109.081 178.255 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 21.4 mt -70.94 -32.74 69.72 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.037 -0.529 . . . . 1.2 111.01 177.777 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.662 HD23 ' HA ' ' B' ' 15' ' ' VAL . 0.1 OUTLIER -65.83 -48.64 70.96 Favored 'General case' 0 N--CA 1.425 -1.68 0 CA-C-O 121.622 0.725 . . . . 0.55000000000000004 109.708 179.612 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.543 HD12 ' N ' ' B' ' 20' ' ' ILE . 1.8 pp -67.1 -46.27 74.73 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 114.914 -1.039 . . . . 0.96999999999999997 110.646 179.765 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 20' ' ' ILE . . . . . 0.543 ' N ' HD12 ' B' ' 19' ' ' LEU . 13.4 mm -57.83 -27.52 30.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.543 0.687 . . . . 1.22 109.68 176.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 21' ' ' SER . . . . . 0.51 ' HB2' ' O ' ' B' ' 18' ' ' LEU . 27.6 m -72.98 -59.57 2.64 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.438 -0.801 . . . . 0.68000000000000005 111.843 178.701 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 12.9 tptt . . . . . 0 N--CA 1.446 -0.632 0 CA-C-N 115.522 -0.763 . . . . 1.47 111.045 -179.018 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 20.2 ptt? . . . . . 0 CA--C 1.538 0.497 0 N-CA-C 112.108 0.41 . . . . 1.6200000000000001 112.108 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 5.1 t -53.94 -41.04 67.31 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 112.013 0.375 . . . . 1.1899999999999999 112.013 -179.652 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 87.0 mt -66.92 -42.81 84.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.25 0.547 . . . . 1.5 110.88 179.122 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 6' ' ' CYS . . . . . 0.599 ' O ' ' HG ' ' B' ' 10' ' ' LEU . 31.1 m -64.64 -51.82 60.63 Favored 'General case' 0 C--O 1.219 -0.508 0 CA-C-N 116.017 -0.538 . . . . 0.94999999999999996 112.191 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 7' ' ' ILE . . . . . 0.439 ' O ' ' HG ' ' B' ' 11' ' ' LEU . 15.2 tt -59.2 -35.45 57.8 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.431 0 N-CA-C 108.924 -0.769 . . . . 0.76000000000000001 108.924 179.614 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 29.5 t -62.39 -27.48 69.11 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 109.009 -0.737 . . . . 0.89000000000000001 109.009 175.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 1.5 t -87.72 -31.81 5.96 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.871 0 C-N-CA 120.388 -0.525 . . . . 1.0700000000000001 111.212 178.845 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.599 ' HG ' ' O ' ' B' ' 6' ' ' CYS . 13.9 mt -64.88 -34.59 78.75 Favored 'General case' 0 CA--C 1.51 -0.594 0 N-CA-C 107.344 -1.354 . . . . 0.90000000000000002 107.344 177.468 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' B' ' 7' ' ' ILE . 4.0 pp -83.25 -34.55 25.8 Favored 'General case' 0 C--O 1.214 -0.795 0 CA-C-N 114.148 -1.387 . . . . 0.62 110.316 178.145 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.9 -38.28 81.82 Favored 'General case' 0 CA--C 1.514 -0.421 0 N-CA-C 107.672 -1.233 . . . . 0.78000000000000003 107.672 177.275 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.4 ' O ' ' HG ' ' B' ' 17' ' ' LEU . 28.0 mt -67.34 -51.04 57.19 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 115.552 -0.749 . . . . 1.24 109.198 176.415 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 14' ' ' THR . . . . . 0.4 ' HA ' HD12 ' B' ' 17' ' ' LEU . 89.4 m -55.55 -54.27 46.07 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 115.906 -0.588 . . . . 0.95999999999999996 111.752 178.832 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.655 ' HA ' HD23 ' B' ' 18' ' ' LEU . 89.1 t -59.45 -45.08 93.96 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.199 0 O-C-N 122.212 -0.305 . . . . 0.79000000000000004 110.842 178.855 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 16' ' ' PHE . . . . . 0.461 ' CD1' HD11 ' B' ' 19' ' ' LEU . 48.4 t80 -53.89 -37.65 63.96 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.481 0.658 . . . . 1.5600000000000001 109.227 178.324 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.577 ' HA ' HG22 ' B' ' 20' ' ' ILE . 21.0 mt -72.43 -34.01 67.52 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.957 -0.565 . . . . 1.4299999999999999 110.868 177.717 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.655 HD23 ' HA ' ' B' ' 15' ' ' VAL . 0.2 OUTLIER -65.01 -48.94 72.14 Favored 'General case' 0 N--CA 1.423 -1.781 0 CA-C-O 121.633 0.73 . . . . 1.0600000000000001 109.622 179.624 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.596 HD12 ' N ' ' B' ' 20' ' ' ILE . 2.3 pp -68.2 -46.46 70.58 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 114.861 -1.063 . . . . 0.96999999999999997 110.929 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 20' ' ' ILE . . . . . 0.596 ' N ' HD12 ' B' ' 19' ' ' LEU . 4.1 tp -58.86 -24.44 26.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 121.249 0.547 . . . . 1.3400000000000001 109.745 178.047 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 21' ' ' SER . . . . . 0.439 ' HB2' ' O ' ' B' ' 18' ' ' LEU . 31.6 m -77.32 -60.32 2.41 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-N 115.477 -0.783 . . . . 1.4199999999999999 111.081 178.207 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 6.2 tptp . . . . . 0 N--CA 1.446 -0.637 0 CA-C-N 115.321 -0.854 . . . . 1.5600000000000001 111.378 -179.157 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 21.4 ptm . . . . . 0 N--CA 1.468 0.461 0 N-CA-C 112.069 0.396 . . . . 1.4099999999999999 112.069 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 3.0 t -60.24 -41.03 92.31 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 120.809 0.337 . . . . 0.60999999999999999 111.406 179.617 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 90.3 mt -68.41 -41.36 80.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.212 0.529 . . . . 0.80000000000000004 110.553 178.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 6' ' ' CYS . . . . . 0.622 ' O ' ' HG ' ' B' ' 10' ' ' LEU . 29.4 m -64.61 -52.65 56.34 Favored 'General case' 0 C--O 1.219 -0.506 0 CA-C-N 116.01 -0.541 . . . . 0.54000000000000004 112.22 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 7' ' ' ILE . . . . . 0.459 ' O ' ' HG ' ' B' ' 11' ' ' LEU . 8.1 tp -58.44 -36.59 59.63 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.462 0 N-CA-C 108.933 -0.765 . . . . 0.54000000000000004 108.933 179.578 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 39.9 t -62.24 -27.12 68.77 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 109.237 -0.653 . . . . 0.53000000000000003 109.237 176.125 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 1.4 t -88.2 -32.24 5.96 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.857 0 C-N-CA 120.331 -0.548 . . . . 0.47999999999999998 111.371 178.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.622 ' HG ' ' O ' ' B' ' 6' ' ' CYS . 14.1 mt -65.06 -34.23 77.93 Favored 'General case' 0 CA--C 1.509 -0.619 0 N-CA-C 107.462 -1.31 . . . . 0.52000000000000002 107.462 177.597 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' B' ' 7' ' ' ILE . 4.0 pp -83.06 -35.09 26.01 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 114.15 -1.386 . . . . 0.54000000000000004 110.309 177.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.75 -38.38 81.61 Favored 'General case' 0 CA--C 1.514 -0.431 0 N-CA-C 107.704 -1.221 . . . . 0.42999999999999999 107.704 177.323 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 29.0 mt -67.05 -50.72 61.0 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.595 -0.73 . . . . 0.56999999999999995 109.317 176.508 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 89.2 m -56.34 -54.3 47.17 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.968 -0.56 . . . . 0.57999999999999996 111.824 178.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.658 ' HA ' HD23 ' B' ' 18' ' ' LEU . 79.0 t -58.77 -44.88 91.19 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.166 0 O-C-N 122.13 -0.356 . . . . 0.5 110.86 178.742 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 16' ' ' PHE . . . . . 0.475 ' CD1' HD11 ' B' ' 19' ' ' LEU . 43.1 t80 -54.08 -39.93 66.76 Favored 'General case' 0 C--O 1.223 -0.335 0 CA-C-O 121.596 0.712 . . . . 0.64000000000000001 109.195 178.34 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 22.4 mt -70.6 -32.19 69.45 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.02 -0.536 . . . . 0.59999999999999998 111.037 177.846 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.658 HD23 ' HA ' ' B' ' 15' ' ' VAL . 0.1 OUTLIER -66.03 -48.97 69.34 Favored 'General case' 0 N--CA 1.425 -1.723 0 CA-C-O 121.573 0.702 . . . . 0.55000000000000004 109.568 179.662 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.547 HD12 ' N ' ' B' ' 20' ' ' ILE . 1.5 pp -66.47 -48.16 70.78 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.132 -0.94 . . . . 0.46000000000000002 110.361 179.644 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 20' ' ' ILE . . . . . 0.547 ' N ' HD12 ' B' ' 19' ' ' LEU . 13.8 mm -53.07 -31.15 17.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.339 0.59 . . . . 0.53000000000000003 109.455 176.759 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 21' ' ' SER . . . . . 0.513 ' HB2' ' O ' ' B' ' 18' ' ' LEU . 57.8 m -73.05 -50.64 21.79 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.357 -0.838 . . . . 0.52000000000000002 110.887 177.776 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 1.6 tptm . . . . . 0 N--CA 1.444 -0.74 0 CA-C-N 115.338 -0.846 . . . . 0.98999999999999999 110.043 -179.949 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 15.8 ptp . . . . . 0 N--CA 1.469 0.48 0 N-CA-C 112.373 0.508 . . . . 1.9199999999999999 112.373 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 4.4 t -56.04 -39.87 72.65 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 112.264 0.468 . . . . 1.1299999999999999 112.264 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 88.1 mt -66.92 -42.78 84.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.113 0.482 . . . . 1.3700000000000001 110.901 179.213 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 6' ' ' CYS . . . . . 0.615 ' O ' ' HG ' ' B' ' 10' ' ' LEU . 29.9 m -65.57 -52.31 53.24 Favored 'General case' 0 C--O 1.218 -0.564 0 CA-C-N 116.058 -0.519 . . . . 0.93999999999999995 112.379 -179.8 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 7' ' ' ILE . . . . . 0.464 ' O ' ' HG ' ' B' ' 11' ' ' LEU . 7.9 tp -58.05 -36.57 57.25 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.44 0 N-CA-C 108.839 -0.8 . . . . 0.85999999999999999 108.839 179.649 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 48.1 t -60.82 -30.13 69.9 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 108.955 -0.758 . . . . 0.89000000000000001 108.955 176.03 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 1.6 t -86.71 -32.19 6.45 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.774 0 O-C-N 121.846 -0.534 . . . . 1.1299999999999999 111.918 178.809 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.615 ' HG ' ' O ' ' B' ' 6' ' ' CYS . 14.2 mt -65.1 -34.09 77.57 Favored 'General case' 0 CA--C 1.508 -0.664 0 N-CA-C 107.571 -1.27 . . . . 1.02 107.571 177.846 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' B' ' 7' ' ' ILE . 4.0 pp -83.03 -34.58 26.22 Favored 'General case' 0 C--O 1.215 -0.738 0 CA-C-N 114.262 -1.335 . . . . 0.59999999999999998 110.243 177.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 12' ' ' ALA . . . . . 0.425 ' O ' ' HB2' ' B' ' 16' ' ' PHE . . . -59.96 -39.05 84.28 Favored 'General case' 0 CA--C 1.514 -0.418 0 N-CA-C 107.662 -1.236 . . . . 0.81000000000000005 107.662 177.413 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 29.9 mt -67.19 -48.89 66.57 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.579 -0.737 . . . . 1.3200000000000001 109.427 176.605 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 14' ' ' THR . . . . . 0.546 ' O ' ' HG ' ' B' ' 17' ' ' LEU . 96.7 m -57.81 -54.14 50.28 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 115.827 -0.624 . . . . 0.78000000000000003 111.629 178.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.768 ' HA ' HD23 ' B' ' 18' ' ' LEU . 94.2 t -59.65 -45.93 93.79 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.36 0 O-C-N 121.546 -0.721 . . . . 0.68000000000000005 110.661 178.897 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 16' ' ' PHE . . . . . 0.425 ' HB2' ' O ' ' B' ' 12' ' ' ALA . 1.2 m-85 -54.4 -37.36 64.97 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 120.925 -0.31 . . . . 2.0499999999999998 111.063 178.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.689 ' HA ' HG22 ' B' ' 20' ' ' ILE . 4.4 pp -79.61 -25.22 41.53 Favored 'General case' 0 N--CA 1.444 -0.739 0 C-N-CA 119.41 -0.916 . . . . 1.04 110.514 178.327 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.768 HD23 ' HA ' ' B' ' 15' ' ' VAL . 0.1 OUTLIER -67.66 -49.66 61.77 Favored 'General case' 0 N--CA 1.423 -1.804 0 N-CA-C 108.695 -0.854 . . . . 0.70999999999999996 108.695 178.283 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.612 HD12 ' N ' ' B' ' 20' ' ' ILE . 2.3 pp -67.52 -45.75 74.86 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.62 -1.173 . . . . 0.85999999999999999 110.782 179.555 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 20' ' ' ILE . . . . . 0.689 HG22 ' HA ' ' B' ' 17' ' ' LEU . 3.6 tp -60.05 -24.08 29.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.061 0.458 . . . . 1.1200000000000001 110.01 178.238 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 30.3 m -77.64 -61.57 1.95 Allowed 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.822 -0.626 . . . . 0.87 111.181 178.48 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 13.5 tptt . . . . . 0 N--CA 1.445 -0.689 0 CA-C-N 115.249 -0.887 . . . . 1.3899999999999999 111.064 -179.262 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 21.1 ptt? . . . . . 0 CA--C 1.537 0.446 0 N-CA-C 112.125 0.417 . . . . 1.27 112.125 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 5.9 t -55.77 -40.69 72.95 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 112.172 0.434 . . . . 0.60999999999999999 112.172 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 93.7 mt -67.69 -39.97 84.39 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-O 121.11 0.481 . . . . 0.80000000000000004 111.04 179.377 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 6' ' ' CYS . . . . . . . . . . . . . 34.6 m -67.21 -50.54 60.41 Favored 'General case' 0 C--O 1.22 -0.458 0 N-CA-C 112.348 0.499 . . . . 0.45000000000000001 112.348 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 7' ' ' ILE . . . . . 0.641 ' HA ' ' HG ' ' B' ' 10' ' ' LEU . 14.2 tt -60.14 -38.49 77.26 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.555 0 N-CA-C 108.687 -0.857 . . . . 0.71999999999999997 108.687 179.635 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 33.4 t -60.25 -29.04 68.51 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 108.954 -0.758 . . . . 0.47999999999999998 108.954 176.08 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 1.8 t -87.51 -34.26 7.29 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.864 0 N-CA-C 112.48 0.548 . . . . 0.54000000000000004 112.48 179.317 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.641 ' HG ' ' HA ' ' B' ' 7' ' ' ILE . 4.7 pp -67.82 -29.15 68.24 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.023 -1.103 . . . . 0.57999999999999996 108.023 178.086 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.52 ' HG ' ' O ' ' B' ' 7' ' ' ILE . 4.1 pp -84.45 -34.82 23.36 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-N 115.328 -0.851 . . . . 0.45000000000000001 109.764 176.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 12' ' ' ALA . . . . . 0.439 ' N ' HD12 ' B' ' 11' ' ' LEU . . . -59.62 -39.0 82.84 Favored 'General case' 0 CA--C 1.514 -0.427 0 N-CA-C 107.607 -1.257 . . . . 0.35999999999999999 107.607 177.343 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.403 ' O ' ' HG ' ' B' ' 17' ' ' LEU . 30.5 mt -66.39 -50.78 62.31 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.554 -0.748 . . . . 0.63 109.393 176.456 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 14' ' ' THR . . . . . 0.451 ' HA ' HD12 ' B' ' 17' ' ' LEU . 95.6 m -56.48 -54.17 48.92 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 116.037 -0.528 . . . . 0.52000000000000002 111.791 178.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.655 ' HA ' HD23 ' B' ' 18' ' ' LEU . 82.3 t -58.99 -44.81 91.98 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.161 0 O-C-N 122.199 -0.313 . . . . 0.46999999999999997 110.783 178.859 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 16' ' ' PHE . . . . . 0.523 ' O ' HG23 ' B' ' 20' ' ' ILE . 43.2 t80 -53.44 -40.67 65.4 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 109.009 -0.737 . . . . 0.82999999999999996 109.009 178.227 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.563 ' HA ' HG12 ' B' ' 20' ' ' ILE . 21.4 mt -68.34 -34.84 76.82 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.798 -0.637 . . . . 0.64000000000000001 111.01 177.743 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.655 HD23 ' HA ' ' B' ' 15' ' ' VAL . 0.2 OUTLIER -65.17 -48.21 74.29 Favored 'General case' 0 N--CA 1.424 -1.728 0 CA-C-O 121.518 0.675 . . . . 0.46000000000000002 110.162 179.849 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.554 HD12 ' N ' ' B' ' 20' ' ' ILE . 1.8 pp -66.36 -48.6 69.69 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 114.903 -1.044 . . . . 0.40000000000000002 111.781 -179.368 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 20' ' ' ILE . . . . . 0.563 HG12 ' HA ' ' B' ' 17' ' ' LEU . 33.7 pt -60.43 -24.48 31.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 C-N-CA 120.068 -0.653 . . . . 0.56999999999999995 109.755 177.625 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 21' ' ' SER . . . . . 0.455 ' HB2' ' O ' ' B' ' 18' ' ' LEU . 21.5 m -73.81 -63.06 1.29 Allowed 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.552 -0.749 . . . . 0.51000000000000001 111.199 178.592 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 6.2 tptp . . . . . 0 N--CA 1.445 -0.687 0 CA-C-N 115.425 -0.807 . . . . 1.02 110.994 -179.522 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 21.6 ptm . . . . . 0 CA--C 1.537 0.45 0 N-CA-C 112.169 0.433 . . . . 1.29 112.169 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 6.0 t -58.07 -38.06 75.64 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 120.804 0.335 . . . . 0.59999999999999998 111.781 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 91.4 mt -69.3 -42.32 75.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.154 0.502 . . . . 0.81000000000000005 110.838 179.198 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 6' ' ' CYS . . . . . . . . . . . . . 32.7 m -64.71 -50.08 68.36 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-N 115.994 -0.548 . . . . 0.66000000000000003 112.399 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 7' ' ' ILE . . . . . 0.618 ' HA ' ' HG ' ' B' ' 10' ' ' LEU . 14.7 tt -59.98 -38.17 75.48 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.572 0 N-CA-C 108.881 -0.785 . . . . 0.67000000000000004 108.881 179.687 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 70.9 m -62.08 -27.09 68.67 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 109.128 -0.693 . . . . 0.40999999999999998 109.128 176.088 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 2.1 t -87.51 -34.45 7.42 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.887 0 O-C-N 121.915 -0.491 . . . . 0.66000000000000003 112.014 179.174 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.618 ' HG ' ' HA ' ' B' ' 7' ' ' ILE . 4.7 pp -68.49 -29.04 67.57 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 107.911 -1.144 . . . . 0.57999999999999996 107.911 177.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' B' ' 7' ' ' ILE . 4.1 pp -84.34 -33.94 23.76 Favored 'General case' 0 N--CA 1.441 -0.88 0 CA-C-N 115.412 -0.813 . . . . 0.46999999999999997 109.781 176.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 12' ' ' ALA . . . . . 0.419 ' N ' HD12 ' B' ' 11' ' ' LEU . . . -60.58 -40.29 91.21 Favored 'General case' 0 CA--C 1.515 -0.378 0 N-CA-C 107.44 -1.319 . . . . 0.51000000000000001 107.44 177.16 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 31.0 mt -65.44 -48.43 72.75 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 115.519 -0.764 . . . . 0.73999999999999999 109.549 176.528 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' THR . . . . . 0.55 ' O ' ' HG ' ' B' ' 17' ' ' LEU . 99.7 m -59.3 -54.5 46.06 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 115.857 -0.611 . . . . 0.53000000000000003 111.849 179.066 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.759 ' HA ' HD23 ' B' ' 18' ' ' LEU . 91.0 t -59.05 -46.11 91.98 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.29 0 O-C-N 121.452 -0.78 . . . . 0.62 110.904 179.118 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 16' ' ' PHE . . . . . 0.552 ' O ' HG23 ' B' ' 20' ' ' ILE . 3.0 m-85 -55.39 -39.01 69.63 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.711 -0.396 . . . . 1.05 110.877 179.016 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.772 ' HA ' HG12 ' B' ' 20' ' ' ILE . 4.4 pp -75.85 -25.92 56.67 Favored 'General case' 0 N--CA 1.444 -0.725 0 C-N-CA 119.166 -1.014 . . . . 0.60999999999999999 110.504 178.231 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.759 HD23 ' HA ' ' B' ' 15' ' ' VAL . 0.1 OUTLIER -67.45 -48.68 66.51 Favored 'General case' 0 N--CA 1.422 -1.838 0 CA-C-O 121.705 0.764 . . . . 0.57999999999999996 108.94 178.414 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.552 HD12 ' N ' ' B' ' 20' ' ' ILE . 1.6 pp -65.94 -49.39 68.11 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 114.732 -1.122 . . . . 0.70999999999999996 111.519 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 20' ' ' ILE . . . . . 0.772 HG12 ' HA ' ' B' ' 17' ' ' LEU . 31.7 pt -59.57 -24.71 29.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 C-N-CA 119.843 -0.743 . . . . 0.75 109.974 177.763 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 21' ' ' SER . . . . . 0.484 ' HB2' ' O ' ' B' ' 18' ' ' LEU . 15.0 m -72.4 -59.64 2.63 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 115.731 -0.668 . . . . 0.55000000000000004 111.572 178.546 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 12.5 tptt . . . . . 0 N--CA 1.444 -0.726 0 CA-C-N 115.672 -0.694 . . . . 1.3200000000000001 111.208 -179.109 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 17.6 ptm . . . . . 0 N--CA 1.467 0.419 0 N-CA-C 111.989 0.366 . . . . 1.22 111.989 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 4.6 t -58.55 -39.76 81.13 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 120.766 0.317 . . . . 0.70999999999999996 111.508 179.645 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 88.8 mt -69.52 -41.94 75.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.192 0.52 . . . . 0.84999999999999998 110.51 179.002 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 6' ' ' CYS . . . . . 0.57 ' O ' ' HG ' ' B' ' 10' ' ' LEU . 13.8 m -63.8 -52.91 58.12 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-N 115.74 -0.664 . . . . 0.51000000000000001 112.017 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 7' ' ' ILE . . . . . 0.475 ' O ' ' HG ' ' B' ' 11' ' ' LEU . 15.4 tt -58.8 -35.98 58.66 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.488 0 N-CA-C 109.08 -0.711 . . . . 0.57999999999999996 109.08 179.584 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 74.0 m -61.84 -27.47 68.8 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 108.862 -0.792 . . . . 0.57999999999999996 108.862 176.1 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.593 ' O ' HD13 ' B' ' 13' ' ' LEU . 1.6 t -86.92 -34.45 7.65 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.928 0 C-N-CA 120.455 -0.498 . . . . 0.66000000000000003 111.141 178.476 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.57 ' HG ' ' O ' ' B' ' 6' ' ' CYS . 12.1 mt -63.21 -33.22 75.01 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 107.779 -1.193 . . . . 0.48999999999999999 107.779 177.774 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' B' ' 7' ' ' ILE . 4.1 pp -84.91 -34.16 22.59 Favored 'General case' 0 C--O 1.213 -0.867 0 CA-C-N 114.132 -1.395 . . . . 0.51000000000000001 110.706 178.436 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.5 -41.82 90.75 Favored 'General case' 0 CA--C 1.513 -0.451 0 N-CA-C 107.556 -1.275 . . . . 0.5 107.556 177.398 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.593 HD13 ' O ' ' B' ' 9' ' ' VAL . 11.1 mp -66.13 -48.85 69.48 Favored 'General case' 0 N--CA 1.443 -0.775 0 CA-C-N 115.524 -0.762 . . . . 0.56999999999999995 109.94 176.463 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 14' ' ' THR . . . . . 0.523 ' HA ' HD12 ' B' ' 17' ' ' LEU . 78.1 m -57.99 -53.33 59.43 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 116.619 -0.264 . . . . 0.44 111.605 178.717 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.687 ' O ' HD13 ' B' ' 19' ' ' LEU . 53.5 t -57.96 -48.39 84.21 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.184 0 O-C-N 122.159 -0.338 . . . . 0.46000000000000002 110.435 178.611 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 16' ' ' PHE . . . . . 0.565 ' O ' HG23 ' B' ' 20' ' ' ILE . 32.9 t80 -50.44 -43.18 55.01 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 109.131 -0.692 . . . . 0.67000000000000004 109.131 178.404 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.68 ' HA ' HG12 ' B' ' 20' ' ' ILE . 20.7 mt -64.51 -32.34 73.93 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 115.879 -0.601 . . . . 0.47999999999999998 110.847 177.597 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.643 HD23 HG13 ' B' ' 15' ' ' VAL . 0.1 OUTLIER -62.6 -53.04 60.52 Favored 'General case' 0 N--CA 1.418 -2.041 0 O-C-N 122.226 -0.296 . . . . 0.41999999999999998 110.359 179.218 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.722 HD13 ' H ' ' B' ' 19' ' ' LEU 0.251 0.0 OUTLIER -70.62 -33.8 71.42 Favored 'General case' 0 C--O 1.221 -0.403 0 C-N-CA 118.567 -1.253 . . . . 0.40000000000000002 113.117 -178.79 . . . . . . . . 4 4 . 1 . 011 nuclear build core ' B' B ' 20' ' ' ILE . . . . . 0.68 HG12 ' HA ' ' B' ' 17' ' ' LEU . 28.7 pt -69.79 -21.86 24.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 119.119 0.872 . . . . 0.39000000000000001 109.288 177.354 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 33.6 m -81.28 -59.1 2.76 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.33 -0.85 . . . . 0.34999999999999998 111.938 179.351 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 12.9 tptt . . . . . 0 N--CA 1.445 -0.725 0 CA-C-N 115.455 -0.793 . . . . 1.1399999999999999 111.044 -178.837 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 19.9 ptp . . . . . 0 CA--C 1.537 0.465 0 N-CA-C 112.258 0.466 . . . . 1.04 112.258 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 5.1 t -59.84 -38.02 80.88 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 120.871 0.367 . . . . 0.60999999999999999 111.556 179.594 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 91.3 mt -69.41 -41.46 76.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.128 0.489 . . . . 1.01 110.573 179.228 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 6' ' ' CYS . . . . . 0.619 ' O ' ' HG ' ' B' ' 10' ' ' LEU . 30.0 m -64.77 -52.03 59.12 Favored 'General case' 0 C--O 1.22 -0.494 0 CA-C-N 116.059 -0.519 . . . . 0.5 112.188 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 7' ' ' ILE . . . . . 0.469 ' O ' ' HG ' ' B' ' 11' ' ' LEU . 8.0 tp -58.47 -36.36 58.71 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.455 0 N-CA-C 108.917 -0.771 . . . . 0.56000000000000005 108.917 179.609 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 69.0 m -62.14 -27.98 69.32 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 109.1 -0.704 . . . . 0.59999999999999998 109.1 176.157 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 1.9 t -87.54 -32.91 6.39 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.822 0 O-C-N 121.881 -0.512 . . . . 0.63 111.538 178.625 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.619 ' HG ' ' O ' ' B' ' 6' ' ' CYS . 14.2 mt -64.65 -33.93 77.09 Favored 'General case' 0 CA--C 1.508 -0.653 0 N-CA-C 107.493 -1.299 . . . . 0.47999999999999998 107.493 177.643 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.824 ' HA ' HG22 ' B' ' 14' ' ' THR . 4.1 pp -83.24 -35.44 25.36 Favored 'General case' 0 N--CA 1.441 -0.894 0 CA-C-N 114.097 -1.41 . . . . 0.58999999999999997 110.509 177.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 12' ' ' ALA . . . . . 0.41 ' N ' HD12 ' B' ' 11' ' ' LEU . . . -59.02 -37.74 77.64 Favored 'General case' 0 CA--C 1.515 -0.398 0 N-CA-C 107.617 -1.253 . . . . 0.56000000000000005 107.617 177.301 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.411 ' O ' ' HG ' ' B' ' 17' ' ' LEU . 30.6 mt -67.8 -53.63 25.57 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.277 -0.874 . . . . 0.63 110.119 176.86 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 14' ' ' THR . . . . . 0.824 HG22 ' HA ' ' B' ' 11' ' ' LEU . 2.1 t -60.29 -45.21 94.14 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 116.587 -0.279 . . . . 0.56000000000000005 111.707 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.604 ' HA ' HD23 ' B' ' 18' ' ' LEU . 74.7 t -63.07 -44.81 99.75 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.169 0 O-C-N 121.723 -0.61 . . . . 0.60999999999999999 109.978 178.48 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 16' ' ' PHE . . . . . 0.509 ' O ' HG23 ' B' ' 20' ' ' ILE . 51.7 t80 -54.33 -38.68 66.28 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 108.495 -0.928 . . . . 0.71999999999999997 108.495 177.764 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.69 HD12 ' HA ' ' B' ' 14' ' ' THR . 22.7 mt -68.85 -35.33 76.8 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.622 -0.717 . . . . 0.59999999999999998 111.052 177.687 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.604 HD23 ' HA ' ' B' ' 15' ' ' VAL . 0.2 OUTLIER -64.79 -48.19 75.38 Favored 'General case' 0 N--CA 1.425 -1.703 0 CA-C-O 121.598 0.713 . . . . 0.65000000000000002 110.141 179.829 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.541 HD12 ' N ' ' B' ' 20' ' ' ILE . 1.5 pp -66.28 -49.81 65.83 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 114.921 -1.036 . . . . 0.52000000000000002 111.65 -179.253 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 20' ' ' ILE . . . . . 0.541 ' N ' HD12 ' B' ' 19' ' ' LEU . 32.7 pt -59.78 -24.65 29.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 C-N-CA 120.2 -0.6 . . . . 0.46999999999999997 109.827 177.537 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 21' ' ' SER . . . . . 0.518 ' HB2' ' O ' ' B' ' 18' ' ' LEU . 15.9 m -71.06 -61.52 1.73 Allowed 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.595 -0.729 . . . . 0.51000000000000001 111.235 178.44 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 5.5 tptp . . . . . 0 N--CA 1.445 -0.703 0 CA-C-N 115.699 -0.682 . . . . 1.2 111.332 -179.387 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 11.5 ptt? . . . . . 0 N--CA 1.467 0.391 0 N-CA-C 112.286 0.476 . . . . 1.49 112.286 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 3.4 t -52.68 -41.53 63.94 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 112.07 0.396 . . . . 1.55 112.07 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.811 HD23 ' H ' ' B' ' 5' ' ' LEU . 1.3 pt? -68.33 -43.01 78.49 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-O 120.991 0.424 . . . . 1.54 110.85 179.013 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 6' ' ' CYS . . . . . 0.407 ' N ' ' HG ' ' B' ' 5' ' ' LEU . 57.1 m -67.01 -47.74 70.52 Favored 'General case' 0 C--O 1.22 -0.48 0 N-CA-C 112.114 0.413 . . . . 1.01 112.114 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 7' ' ' ILE . . . . . 0.585 ' HA ' ' HG ' ' B' ' 10' ' ' LEU . 0.1 OUTLIER -60.44 -37.42 74.52 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.297 0 N-CA-C 108.197 -1.038 . . . . 0.87 108.197 179.568 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 8' ' ' SER . . . . . 0.4 ' HA ' HD21 ' B' ' 11' ' ' LEU . 34.3 t -63.58 -26.93 68.91 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 109.372 -0.603 . . . . 1.1899999999999999 109.372 175.874 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 2.1 t -87.89 -33.77 6.83 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.015 0 C-N-CA 120.444 -0.502 . . . . 1.3400000000000001 111.883 179.518 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.585 ' HG ' ' HA ' ' B' ' 7' ' ' ILE . 4.6 pp -69.04 -28.95 67.01 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 107.702 -1.221 . . . . 0.80000000000000004 107.702 177.762 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' B' ' 7' ' ' ILE . 4.2 pp -83.48 -34.85 25.28 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 115.547 -0.751 . . . . 0.81999999999999995 109.497 176.566 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 12' ' ' ALA . . . . . 0.449 ' N ' HD12 ' B' ' 11' ' ' LEU . . . -60.07 -39.38 85.86 Favored 'General case' 0 CA--C 1.512 -0.498 0 N-CA-C 107.713 -1.218 . . . . 1.0700000000000001 107.713 177.472 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.42 ' O ' ' HG ' ' B' ' 17' ' ' LEU . 30.2 mt -66.21 -50.95 62.08 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.723 -0.671 . . . . 1.5900000000000001 109.343 176.523 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 14' ' ' THR . . . . . 0.474 ' HA ' HD12 ' B' ' 17' ' ' LEU . 92.6 m -56.17 -54.61 43.12 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.923 -0.58 . . . . 0.91000000000000003 111.739 178.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.625 ' HA ' HD23 ' B' ' 18' ' ' LEU . 89.3 t -59.21 -44.22 91.42 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.162 0 O-C-N 122.075 -0.391 . . . . 0.83999999999999997 110.757 178.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 16' ' ' PHE . . . . . 0.517 ' O ' HG23 ' B' ' 20' ' ' ILE . 51.1 t80 -53.52 -40.38 65.4 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 108.853 -0.795 . . . . 1.96 108.853 178.126 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.548 ' HA ' HG12 ' B' ' 20' ' ' ILE . 21.8 mt -68.8 -35.11 76.6 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.888 -0.596 . . . . 1.6200000000000001 110.985 177.742 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.625 HD23 ' HA ' ' B' ' 15' ' ' VAL . 0.1 OUTLIER -65.47 -48.06 73.95 Favored 'General case' 0 N--CA 1.423 -1.799 0 CA-C-O 121.536 0.684 . . . . 0.92000000000000004 109.965 179.872 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.571 HD12 ' N ' ' B' ' 20' ' ' ILE . 2.0 pp -66.24 -48.44 70.53 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 114.841 -1.072 . . . . 1.22 111.714 -179.229 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 20' ' ' ILE . . . . . 0.571 ' N ' HD12 ' B' ' 19' ' ' LEU . 33.4 pt -61.21 -24.61 33.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 C-N-CA 120.115 -0.634 . . . . 1.6100000000000001 109.765 177.673 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 21' ' ' SER . . . . . 0.467 ' HB2' ' O ' ' B' ' 18' ' ' LEU . 16.5 m -71.95 -62.65 1.35 Allowed 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 115.564 -0.744 . . . . 1.3799999999999999 111.557 178.821 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 5.2 tptp . . . . . 0 N--CA 1.446 -0.63 0 CA-C-N 115.609 -0.723 . . . . 1.6299999999999999 111.347 -179.265 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 18.0 ptm . . . . . 0 N--CA 1.47 0.572 0 N-CA-C 112.522 0.564 . . . . 0.77000000000000002 112.522 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 3.9 t -54.88 -41.04 70.37 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 112.699 0.629 . . . . 0.55000000000000004 112.699 -179.468 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.775 HD23 ' H ' ' B' ' 5' ' ' LEU . 1.0 OUTLIER -68.78 -41.36 78.9 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 121.037 0.446 . . . . 0.70999999999999996 111.198 179.423 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 6' ' ' CYS . . . . . 0.6 ' O ' ' HG ' ' B' ' 10' ' ' LEU . 32.7 m -64.29 -51.41 63.65 Favored 'General case' 0 C--O 1.22 -0.477 0 N-CA-C 112.286 0.476 . . . . 0.46000000000000002 112.286 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 7' ' ' ILE . . . . . 0.438 ' O ' ' HG ' ' B' ' 11' ' ' LEU . 15.0 tt -59.1 -35.48 57.55 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.513 0 N-CA-C 108.985 -0.746 . . . . 0.46999999999999997 108.985 179.641 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 66.4 m -62.4 -27.64 69.23 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 108.877 -0.786 . . . . 0.40999999999999998 108.877 176.039 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 1.8 t -87.61 -32.16 6.11 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.803 0 O-C-N 121.95 -0.469 . . . . 0.53000000000000003 111.35 178.484 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.6 ' HG ' ' O ' ' B' ' 6' ' ' CYS . 13.3 mt -64.69 -34.28 77.93 Favored 'General case' 0 CA--C 1.51 -0.592 0 N-CA-C 107.426 -1.324 . . . . 0.52000000000000002 107.426 177.525 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.438 ' HG ' ' O ' ' B' ' 7' ' ' ILE . 4.0 pp -83.36 -34.61 25.56 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 114.25 -1.341 . . . . 0.40000000000000002 110.361 178.088 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.97 -38.24 81.95 Favored 'General case' 0 CA--C 1.514 -0.411 0 N-CA-C 107.702 -1.221 . . . . 0.40000000000000002 107.702 177.279 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.408 ' O ' ' HG ' ' B' ' 17' ' ' LEU . 29.3 mt -67.3 -50.02 61.9 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.455 -0.793 . . . . 0.67000000000000004 109.211 176.42 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 14' ' ' THR . . . . . 0.447 ' HA ' HD12 ' B' ' 17' ' ' LEU . 96.2 m -56.63 -54.44 46.0 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.94 -0.573 . . . . 0.55000000000000004 111.721 178.784 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.669 ' HA ' HD23 ' B' ' 18' ' ' LEU . 87.1 t -58.68 -44.76 90.54 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.168 0 O-C-N 122.079 -0.388 . . . . 0.47999999999999998 110.74 178.798 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 16' ' ' PHE . . . . . 0.523 ' O ' HG23 ' B' ' 20' ' ' ILE . 45.7 t80 -53.42 -40.86 65.48 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 108.967 -0.753 . . . . 0.83999999999999997 108.967 178.299 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.563 ' HA ' HG12 ' B' ' 20' ' ' ILE . 21.1 mt -68.69 -34.85 76.36 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.876 -0.602 . . . . 0.76000000000000001 111.067 177.789 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.669 HD23 ' HA ' ' B' ' 15' ' ' VAL . 0.2 OUTLIER -64.89 -48.29 74.77 Favored 'General case' 0 N--CA 1.423 -1.794 0 CA-C-O 121.61 0.719 . . . . 0.55000000000000004 109.936 179.731 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.564 HD12 ' N ' ' B' ' 20' ' ' ILE . 1.4 pp -65.99 -52.43 49.48 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 115.06 -0.973 . . . . 0.46000000000000002 111.555 -179.555 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 20' ' ' ILE . . . . . 0.564 ' N ' HD12 ' B' ' 19' ' ' LEU . 32.0 pt -55.7 -25.5 18.43 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-N 118.703 0.683 . . . . 0.62 109.994 177.822 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 21' ' ' SER . . . . . 0.464 ' HB2' ' O ' ' B' ' 18' ' ' LEU . 31.1 m -73.68 -55.91 5.67 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.849 -0.614 . . . . 0.59999999999999998 110.824 177.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.444 -0.772 0 CA-C-N 115.512 -0.767 . . . . 0.75 110.969 -179.603 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 15.1 ptp . . . . . 0 N--CA 1.469 0.517 0 N-CA-C 112.82 0.674 . . . . 1.5 112.82 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 6.0 t -57.22 -38.39 73.67 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 111.923 0.342 . . . . 0.93000000000000005 111.923 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 89.1 mt -68.49 -44.42 74.78 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-O 121.24 0.543 . . . . 0.91000000000000003 110.887 179.367 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 6' ' ' CYS . . . . . 0.618 ' O ' ' HG ' ' B' ' 10' ' ' LEU . 35.1 m -64.31 -51.31 64.09 Favored 'General case' 0 C--O 1.22 -0.494 0 N-CA-C 112.259 0.466 . . . . 0.55000000000000004 112.259 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 7' ' ' ILE . . . . . 0.463 ' O ' ' HG ' ' B' ' 11' ' ' LEU . 8.7 tp -58.12 -37.85 64.42 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.426 0 N-CA-C 109.413 -0.588 . . . . 0.67000000000000004 109.413 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 9.0 p -62.78 -26.18 68.59 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 108.939 -0.763 . . . . 0.64000000000000001 108.939 176.715 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 1.7 t -87.71 -33.02 6.39 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.829 0 C-N-CA 120.463 -0.495 . . . . 0.59999999999999998 111.525 178.633 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.618 ' HG ' ' O ' ' B' ' 6' ' ' CYS . 14.3 mt -64.85 -34.25 77.93 Favored 'General case' 0 CA--C 1.508 -0.654 0 N-CA-C 107.432 -1.321 . . . . 0.47999999999999998 107.432 177.666 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' B' ' 7' ' ' ILE . 4.1 pp -83.35 -34.32 25.65 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 114.258 -1.337 . . . . 0.64000000000000001 110.406 177.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.04 -38.62 83.3 Favored 'General case' 0 CA--C 1.513 -0.469 0 N-CA-C 107.637 -1.246 . . . . 0.58999999999999997 107.637 177.298 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.403 ' O ' ' HG ' ' B' ' 17' ' ' LEU . 27.8 mt -67.32 -50.41 60.23 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.518 -0.765 . . . . 0.65000000000000002 109.074 176.53 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 14' ' ' THR . . . . . 0.418 ' HB ' ' HA ' ' B' ' 11' ' ' LEU . 94.2 m -55.56 -55.02 36.82 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 115.79 -0.641 . . . . 1.02 111.65 178.763 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.684 ' HA ' HD23 ' B' ' 18' ' ' LEU . 91.8 t -59.22 -44.89 92.98 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.266 0 O-C-N 122.093 -0.379 . . . . 0.73999999999999999 110.767 178.894 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 16' ' ' PHE . . . . . 0.479 ' CD1' HD11 ' B' ' 19' ' ' LEU . 46.7 t80 -53.71 -37.76 63.61 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.426 0.632 . . . . 0.98999999999999999 109.419 178.264 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.599 ' HA ' HG22 ' B' ' 20' ' ' ILE . 21.1 mt -72.27 -33.68 67.64 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.009 -0.541 . . . . 0.71999999999999997 110.977 177.882 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.684 HD23 ' HA ' ' B' ' 15' ' ' VAL . 0.2 OUTLIER -66.07 -48.72 70.06 Favored 'General case' 0 N--CA 1.426 -1.635 0 CA-C-O 121.776 0.798 . . . . 0.73999999999999999 109.768 179.682 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.592 HD12 ' N ' ' B' ' 20' ' ' ILE . 2.6 pp -67.68 -44.55 77.53 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 114.639 -1.164 . . . . 0.73999999999999999 110.943 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 20' ' ' ILE . . . . . 0.599 HG22 ' HA ' ' B' ' 17' ' ' LEU . 3.7 tp -64.37 -21.44 29.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 121.373 0.606 . . . . 0.89000000000000001 109.977 178.109 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 21' ' ' SER . . . . . 0.569 ' HB2' ' O ' ' B' ' 17' ' ' LEU . 8.2 t -77.15 -59.07 2.93 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.461 -0.791 . . . . 0.76000000000000001 111.52 179.543 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 4.7 mptp? . . . . . 0 N--CA 1.439 -1.025 0 CA-C-N 115.486 -0.779 . . . . 2.1099999999999999 111.645 -178.905 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 15.4 ptm . . . . . 0 CA--C 1.542 0.669 0 N-CA-C 113.666 0.987 . . . . 0.76000000000000001 113.666 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 88.8 m -54.62 -46.97 73.95 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 112.087 0.403 . . . . 0.73999999999999999 112.087 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 94.0 mt -59.26 -42.55 91.42 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.184 0.516 . . . . 0.89000000000000001 111.087 179.673 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 6' ' ' CYS . . . . . 0.605 ' O ' ' HG ' ' B' ' 10' ' ' LEU . 31.7 m -65.46 -50.85 63.82 Favored 'General case' 0 C--O 1.219 -0.529 0 CA-C-N 116.154 -0.475 . . . . 0.44 111.717 179.659 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 7' ' ' ILE . . . . . 0.429 ' O ' ' HG ' ' B' ' 11' ' ' LEU . 0.4 OUTLIER -58.65 -36.04 58.16 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 N-CA-C 108.428 -0.953 . . . . 0.70999999999999996 108.428 179.51 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 47.6 t -61.19 -28.68 69.31 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 109.097 -0.705 . . . . 0.44 109.097 176.079 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 1.5 t -88.26 -31.52 5.71 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.825 0 C-N-CA 120.404 -0.518 . . . . 0.52000000000000002 111.397 178.793 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.605 ' HG ' ' O ' ' B' ' 6' ' ' CYS . 14.4 mt -64.39 -34.46 78.22 Favored 'General case' 0 CA--C 1.509 -0.616 0 N-CA-C 107.438 -1.319 . . . . 0.53000000000000003 107.438 177.578 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.922 ' HA ' HG22 ' B' ' 14' ' ' THR . 3.9 pp -82.56 -36.44 26.27 Favored 'General case' 0 N--CA 1.441 -0.921 0 CA-C-N 113.96 -1.473 . . . . 0.39000000000000001 110.361 178.043 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.7 -37.43 76.09 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 107.784 -1.191 . . . . 0.34000000000000002 107.784 177.396 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 33.7 mt -67.54 -55.41 13.6 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.573 -0.74 . . . . 0.63 110.242 176.792 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 14' ' ' THR . . . . . 0.922 HG22 ' HA ' ' B' ' 11' ' ' LEU . 5.8 t -59.23 -45.47 91.05 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 111.823 0.305 . . . . 0.52000000000000002 111.823 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.598 ' HA ' HD23 ' B' ' 18' ' ' LEU . 76.1 t -62.08 -45.5 98.59 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.064 0 O-C-N 121.642 -0.661 . . . . 0.40000000000000002 110.096 178.227 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 16' ' ' PHE . . . . . 0.478 ' CD1' HD11 ' B' ' 19' ' ' LEU . 49.9 t80 -54.82 -35.62 64.12 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 108.808 -0.812 . . . . 1.05 108.808 177.897 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.63 HD12 ' HA ' ' B' ' 14' ' ' THR . 21.5 mt -72.95 -33.62 66.02 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.975 -0.557 . . . . 0.67000000000000004 111.056 177.858 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.598 HD23 ' HA ' ' B' ' 15' ' ' VAL . 0.2 OUTLIER -65.56 -49.69 67.94 Favored 'General case' 0 N--CA 1.424 -1.76 0 CA-C-O 121.636 0.731 . . . . 0.46999999999999997 109.522 179.711 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.622 HD12 ' N ' ' B' ' 20' ' ' ILE . 2.1 pp -67.26 -48.83 66.55 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 114.917 -1.038 . . . . 0.46999999999999997 110.987 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 20' ' ' ILE . . . . . 0.622 ' N ' HD12 ' B' ' 19' ' ' LEU . 4.6 tp -54.82 -27.74 19.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 109.705 -0.48 . . . . 0.60999999999999999 109.705 177.874 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 21' ' ' SER . . . . . 0.45 ' HB2' ' O ' ' B' ' 18' ' ' LEU . 43.7 m -74.64 -51.92 13.11 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 115.753 -0.658 . . . . 0.46999999999999997 110.477 177.612 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 14.3 tptt . . . . . 0 N--CA 1.444 -0.748 0 CA-C-N 115.16 -0.927 . . . . 1.02 110.09 179.625 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 18.1 ptm . . . . . 0 N--CA 1.466 0.357 0 N-CA-C 111.916 0.339 . . . . 1.04 111.916 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 7.1 t -57.68 -35.44 70.6 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 112.347 0.499 . . . . 0.55000000000000004 112.347 -179.345 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 95.1 mt -70.52 -44.4 67.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.953 0.406 . . . . 0.70999999999999996 111.251 179.591 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 6' ' ' CYS . . . . . . . . . . . . . 39.8 m -64.08 -49.02 73.9 Favored 'General case' 0 C--O 1.221 -0.4 0 N-CA-C 112.467 0.543 . . . . 0.56000000000000005 112.467 -179.516 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 7' ' ' ILE . . . . . 0.567 HD12 HD11 ' B' ' 10' ' ' LEU . 5.3 tp -58.06 -41.7 81.12 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.498 0 N-CA-C 108.562 -0.903 . . . . 0.62 108.562 179.488 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 66.5 m -61.79 -27.07 68.49 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.839 -0.619 . . . . 0.40999999999999998 109.834 176.541 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 2.1 t -88.47 -34.88 7.35 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.901 0 O-C-N 121.851 -0.531 . . . . 0.56000000000000005 112.409 179.695 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.567 HD11 HD12 ' B' ' 7' ' ' ILE . 4.4 pp -68.65 -29.06 67.46 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 107.682 -1.229 . . . . 0.53000000000000003 107.682 178.042 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' B' ' 7' ' ' ILE . 4.3 pp -83.65 -34.85 24.93 Favored 'General case' 0 N--CA 1.443 -0.805 0 CA-C-N 115.381 -0.827 . . . . 0.37 109.788 176.69 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 12' ' ' ALA . . . . . 0.462 ' N ' HD12 ' B' ' 11' ' ' LEU . . . -59.94 -39.14 84.53 Favored 'General case' 0 CA--C 1.512 -0.503 0 N-CA-C 107.725 -1.213 . . . . 0.44 107.725 177.399 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.414 ' O ' ' HG ' ' B' ' 17' ' ' LEU . 30.0 mt -66.25 -49.75 66.11 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.477 -0.783 . . . . 0.66000000000000003 109.32 176.439 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 14' ' ' THR . . . . . 0.437 ' HA ' HD12 ' B' ' 17' ' ' LEU . 98.3 m -57.12 -54.7 43.79 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.912 -0.586 . . . . 0.40000000000000002 111.829 178.856 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.657 ' HA ' HD23 ' B' ' 18' ' ' LEU . 83.6 t -58.49 -44.55 89.26 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.169 0 O-C-N 122.104 -0.372 . . . . 0.45000000000000001 110.846 178.896 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 16' ' ' PHE . . . . . 0.489 ' O ' HG23 ' B' ' 20' ' ' ILE . 48.7 t80 -53.24 -41.25 65.24 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.095 -0.706 . . . . 0.84999999999999998 109.095 178.194 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.615 ' O ' ' HB2' ' B' ' 21' ' ' SER . 22.6 mt -68.15 -34.48 76.42 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.89 -0.596 . . . . 0.53000000000000003 111.176 177.833 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.657 HD23 ' HA ' ' B' ' 15' ' ' VAL . 0.2 OUTLIER -65.49 -48.12 73.69 Favored 'General case' 0 N--CA 1.423 -1.777 0 CA-C-O 121.625 0.726 . . . . 0.46999999999999997 110.046 179.819 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.549 HD12 HG23 ' B' ' 20' ' ' ILE . 1.6 pp -66.38 -49.54 66.5 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 114.899 -1.046 . . . . 0.53000000000000003 111.649 -179.327 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 20' ' ' ILE . . . . . 0.551 HG12 ' HA ' ' B' ' 17' ' ' LEU . 32.1 pt -61.81 -23.2 30.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 C-N-CA 120.215 -0.594 . . . . 0.56000000000000005 109.968 177.667 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 21' ' ' SER . . . . . 0.615 ' HB2' ' O ' ' B' ' 17' ' ' LEU . 7.9 t -71.32 -61.83 1.63 Allowed 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.578 -0.737 . . . . 0.41999999999999998 111.076 179.426 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 1.1 tptm . . . . . 0 N--CA 1.444 -0.757 0 CA-C-N 115.221 -0.899 . . . . 0.91000000000000003 111.306 -179.403 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 19.8 ptp . . . . . 0 CA--C 1.537 0.474 0 N-CA-C 112.272 0.471 . . . . 1.1299999999999999 112.272 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 20.7 m -58.18 -46.9 84.94 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-O 120.887 0.375 . . . . 0.80000000000000004 111.739 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.785 HD23 ' H ' ' B' ' 5' ' ' LEU . 0.9 OUTLIER -66.53 -38.13 86.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.969 0.414 . . . . 0.96999999999999997 110.97 179.133 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 6' ' ' CYS . . . . . 0.595 ' O ' ' HG ' ' B' ' 10' ' ' LEU . 30.8 m -65.57 -52.6 51.01 Favored 'General case' 0 C--O 1.22 -0.484 0 N-CA-C 112.277 0.473 . . . . 0.68000000000000005 112.277 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 7' ' ' ILE . . . . . 0.425 ' O ' ' HG ' ' B' ' 11' ' ' LEU . 15.3 tt -59.49 -35.52 59.38 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.524 0 N-CA-C 108.925 -0.769 . . . . 0.64000000000000001 108.925 179.586 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 43.7 t -61.95 -28.22 69.39 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 108.792 -0.818 . . . . 0.60999999999999999 108.792 175.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 1.5 t -87.13 -31.9 6.17 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.747 0 C-N-CA 120.474 -0.49 . . . . 0.68999999999999995 111.422 178.649 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.595 ' HG ' ' O ' ' B' ' 6' ' ' CYS . 14.3 mt -64.83 -34.49 78.5 Favored 'General case' 0 CA--C 1.509 -0.61 0 N-CA-C 107.496 -1.298 . . . . 0.65000000000000002 107.496 177.659 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' B' ' 7' ' ' ILE . 4.0 pp -83.01 -34.48 26.29 Favored 'General case' 0 C--O 1.213 -0.824 0 CA-C-N 114.06 -1.427 . . . . 0.53000000000000003 110.235 178.095 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.02 -38.66 83.33 Favored 'General case' 0 CA--C 1.515 -0.393 0 N-CA-C 107.756 -1.201 . . . . 0.44 107.756 177.253 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 29.9 mt -66.64 -50.48 62.81 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.346 -0.843 . . . . 0.75 109.441 176.531 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 89.8 m -57.49 -54.32 48.17 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.881 -0.6 . . . . 0.71999999999999997 111.66 178.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.678 HG13 HD23 ' B' ' 18' ' ' LEU . 54.6 t -56.71 -47.97 81.63 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.153 0 O-C-N 122.21 -0.306 . . . . 0.52000000000000002 110.542 178.656 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 16' ' ' PHE . . . . . 0.488 ' O ' HG12 ' B' ' 20' ' ' ILE . 28.0 t80 -51.93 -42.85 63.14 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.281 -0.637 . . . . 0.82999999999999996 109.281 178.49 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 24.1 mt -68.01 -26.68 66.02 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 116.126 -0.488 . . . . 0.71999999999999997 111.064 177.596 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.678 HD23 HG13 ' B' ' 15' ' ' VAL . 0.1 OUTLIER -64.61 -53.97 39.31 Favored 'General case' 0 N--CA 1.416 -2.152 0 N-CA-C 109.223 -0.658 . . . . 0.65000000000000002 109.223 179.053 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.763 HD13 ' H ' ' B' ' 19' ' ' LEU . 0.0 OUTLIER -70.14 -36.07 74.5 Favored 'General case' 0 C--O 1.217 -0.616 0 C-N-CA 118.124 -1.43 . . . . 0.46999999999999997 111.285 179.786 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 20' ' ' ILE . . . . . 0.608 ' N ' HD22 ' B' ' 19' ' ' LEU . 13.6 mm -55.81 -33.37 34.32 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 N-CA-C 108.833 -0.802 . . . . 0.56999999999999995 108.833 176.218 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 21' ' ' SER . . . . . 0.402 ' HB2' ' O ' ' B' ' 18' ' ' LEU . 73.2 m -72.93 -49.06 31.76 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 115.003 -0.999 . . . . 0.68000000000000005 110.466 177.751 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 6.9 tptp . . . . . 0 N--CA 1.445 -0.712 0 CA-C-N 115.006 -0.997 . . . . 1.27 110.08 179.801 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 15.5 ptm . . . . . 0 N--CA 1.467 0.413 0 CA-C-O 120.884 0.373 . . . . 0.85999999999999999 111.745 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 11.6 t -57.89 -37.16 73.48 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 115.995 -0.548 . . . . 0.71999999999999997 112.267 -179.411 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 94.8 mt -70.41 -43.5 69.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.017 0.436 . . . . 0.93999999999999995 111.153 179.612 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 6' ' ' CYS . . . . . . . . . . . . . 35.9 m -63.47 -49.46 73.53 Favored 'General case' 0 C--O 1.222 -0.357 0 N-CA-C 112.596 0.591 . . . . 0.56999999999999995 112.596 -179.61 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 7' ' ' ILE . . . . . 0.628 ' HA ' ' HG ' ' B' ' 10' ' ' LEU . 14.0 tt -60.26 -38.61 78.02 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.564 0 N-CA-C 108.806 -0.812 . . . . 0.60999999999999999 108.806 179.596 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 67.6 m -61.57 -26.96 68.29 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 109.187 -0.671 . . . . 0.40000000000000002 109.187 176.107 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 2.1 t -88.06 -34.46 7.23 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.922 0 C-N-CA 120.447 -0.501 . . . . 0.56999999999999995 112.051 179.191 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.628 ' HG ' ' HA ' ' B' ' 7' ' ' ILE . 4.7 pp -68.35 -28.7 67.37 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 107.839 -1.171 . . . . 0.62 107.839 178.069 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' B' ' 7' ' ' ILE . 4.1 pp -84.67 -34.84 22.93 Favored 'General case' 0 N--CA 1.442 -0.836 0 CA-C-N 115.533 -0.758 . . . . 0.40000000000000002 109.763 176.845 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 12' ' ' ALA . . . . . 0.443 ' N ' HD12 ' B' ' 11' ' ' LEU . . . -59.72 -39.19 83.83 Favored 'General case' 0 CA--C 1.513 -0.472 0 N-CA-C 107.645 -1.242 . . . . 0.34000000000000002 107.645 177.318 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.422 ' O ' ' HG ' ' B' ' 17' ' ' LEU . 32.5 mt -66.52 -50.28 63.75 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.418 -0.81 . . . . 0.71999999999999997 109.25 176.526 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 14' ' ' THR . . . . . 0.456 ' HA ' HD12 ' B' ' 17' ' ' LEU . 94.6 m -56.4 -54.46 45.35 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.988 -0.551 . . . . 0.58999999999999997 111.876 178.82 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.604 ' HA ' HD23 ' B' ' 18' ' ' LEU . 82.3 t -59.28 -44.07 91.35 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.184 0 O-C-N 122.123 -0.361 . . . . 0.38 110.921 178.871 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 16' ' ' PHE . . . . . 0.549 ' O ' HG23 ' B' ' 20' ' ' ILE . 23.9 t80 -53.93 -40.22 66.55 Favored 'General case' 0 C--O 1.225 -0.232 0 N-CA-C 108.819 -0.808 . . . . 2.0699999999999998 108.819 178.419 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.597 ' HA ' HG12 ' B' ' 20' ' ' ILE . 22.8 mt -68.77 -35.4 77.02 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.766 -0.652 . . . . 0.79000000000000004 111.003 177.553 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.604 HD23 ' HA ' ' B' ' 15' ' ' VAL . 0.1 OUTLIER -63.56 -48.96 75.31 Favored 'General case' 0 N--CA 1.422 -1.834 0 CA-C-O 121.532 0.682 . . . . 0.51000000000000001 109.787 179.685 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.564 HD12 ' N ' ' B' ' 20' ' ' ILE . 1.7 pp -66.42 -50.9 61.85 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 115.175 -0.921 . . . . 0.37 111.925 -179.498 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 20' ' ' ILE . . . . . 0.597 HG12 ' HA ' ' B' ' 17' ' ' LEU . 33.6 pt -54.88 -26.98 18.1 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-N 118.989 0.813 . . . . 0.64000000000000001 109.765 177.839 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 21' ' ' SER . . . . . 0.425 ' HB2' ' O ' ' B' ' 18' ' ' LEU . 69.7 m -75.09 -51.78 12.64 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.56 -0.745 . . . . 0.67000000000000004 110.266 177.308 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 22' ' ' LYS . . . . . 0.549 ' HD2' ' HA ' ' B' ' 19' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.447 -0.583 0 CA-C-N 115.447 -0.797 . . . . 0.68999999999999995 111.976 -179.786 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 17.4 ptp . . . . . 0 CA--C 1.538 0.504 0 N-CA-C 112.193 0.442 . . . . 1.6499999999999999 112.193 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 5.7 t -56.97 -38.82 73.54 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 120.934 0.397 . . . . 1.05 111.88 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 89.4 mt -69.37 -41.54 76.4 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 121.134 0.493 . . . . 0.97999999999999998 110.691 179.004 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 6' ' ' CYS . . . . . 0.614 ' O ' ' HG ' ' B' ' 10' ' ' LEU . 20.4 m -64.16 -52.64 58.04 Favored 'General case' 0 C--O 1.222 -0.385 0 CA-C-N 115.984 -0.553 . . . . 0.54000000000000004 112.247 -179.795 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 7' ' ' ILE . . . . . 0.463 ' O ' ' HG ' ' B' ' 11' ' ' LEU . 7.9 tp -58.05 -36.69 57.79 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.444 0 N-CA-C 108.886 -0.783 . . . . 0.92000000000000004 108.886 179.605 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 71.3 m -61.68 -28.16 69.2 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 109.273 -0.64 . . . . 0.84999999999999998 109.273 176.146 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 1.8 t -87.43 -32.56 6.31 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.807 0 C-N-CA 120.439 -0.504 . . . . 0.69999999999999996 111.387 178.727 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.614 ' HG ' ' O ' ' B' ' 6' ' ' CYS . 14.2 mt -64.99 -34.06 77.53 Favored 'General case' 0 CA--C 1.509 -0.632 0 N-CA-C 107.545 -1.279 . . . . 0.78000000000000003 107.545 177.664 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' B' ' 7' ' ' ILE . 4.1 pp -83.15 -34.73 25.97 Favored 'General case' 0 C--O 1.213 -0.82 0 CA-C-N 114.132 -1.395 . . . . 0.82999999999999996 110.265 178.115 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.9 -39.41 85.27 Favored 'General case' 0 CA--C 1.515 -0.386 0 N-CA-C 107.528 -1.286 . . . . 0.60999999999999999 107.528 177.288 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.411 ' O ' ' HG ' ' B' ' 17' ' ' LEU . 30.0 mt -65.77 -50.54 64.37 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.449 -0.796 . . . . 0.73999999999999999 109.295 176.492 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 14' ' ' THR . . . . . 0.498 ' HA ' HD12 ' B' ' 17' ' ' LEU . 93.9 m -56.85 -54.28 48.23 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.916 -0.584 . . . . 0.69999999999999996 112.031 178.906 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.578 ' HA ' HD23 ' B' ' 18' ' ' LEU . 82.2 t -58.51 -46.03 89.95 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.143 0 O-C-N 122.057 -0.402 . . . . 0.75 110.958 179.141 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 16' ' ' PHE . . . . . 0.557 ' O ' HG23 ' B' ' 20' ' ' ILE . 2.9 m-30 -54.24 -39.95 67.28 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-O 121.435 0.636 . . . . 1.0700000000000001 109.299 178.136 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.593 ' HA ' HG12 ' B' ' 20' ' ' ILE . 22.9 mt -66.69 -35.23 79.63 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.123 -0.49 . . . . 0.66000000000000003 110.981 177.503 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.578 HD23 ' HA ' ' B' ' 15' ' ' VAL . 0.2 OUTLIER -63.72 -49.71 72.02 Favored 'General case' 0 N--CA 1.423 -1.791 0 CA-C-O 121.445 0.64 . . . . 0.80000000000000004 110.146 179.845 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.529 HD12 HG23 ' B' ' 20' ' ' ILE . 1.4 pp -66.37 -44.9 81.87 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.003 -0.998 . . . . 0.79000000000000004 112.401 -179.246 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 20' ' ' ILE . . . . . 0.593 HG12 ' HA ' ' B' ' 17' ' ' LEU . 33.5 pt -64.96 -21.87 30.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 C-N-CA 120.251 -0.58 . . . . 0.68000000000000005 110.068 178.061 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 75.4 m -86.99 -55.66 3.73 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 115.935 -0.575 . . . . 0.48999999999999999 112.062 179.696 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 12.7 mptt . . . . . 0 N--CA 1.448 -0.548 0 CA-C-N 115.986 -0.552 . . . . 1.3500000000000001 112.331 -178.611 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' GLU . . . . . 1.037 ' HB2' ' HB ' ' B' ' 4' ' ' THR . 2.6 mp0 . . . . . 0 N--CA 1.495 1.78 0 CA-C-O 121.005 0.431 . . . . 0.87 111.326 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 57.7 pttt -63.51 -21.7 66.47 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.244 -0.889 . . . . 1.6599999999999999 111.485 179.273 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 12.0 ptt? -131.58 25.19 4.76 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.841 -0.618 . . . . 1.1000000000000001 111.53 -179.53 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' THR . . . . . 1.037 ' HB ' ' HB2' ' B' ' 1' ' ' GLU . 12.3 t -56.86 -38.18 72.35 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 115.988 -0.551 . . . . 0.55000000000000004 112.197 -179.306 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 93.7 mt -69.72 -43.74 71.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.895 0.379 . . . . 0.67000000000000004 111.298 179.522 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' CYS . . . . . . . . . . . . . 28.5 m -63.88 -50.53 68.42 Favored 'General case' 0 C--O 1.223 -0.336 0 N-CA-C 112.6 0.593 . . . . 0.53000000000000003 112.6 -179.322 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' ILE . . . . . 0.621 ' HA ' ' HG ' ' B' ' 10' ' ' LEU . 14.9 tt -60.05 -38.82 78.36 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.5 0 N-CA-C 108.809 -0.811 . . . . 0.54000000000000004 108.809 179.646 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 36.9 t -61.22 -26.8 67.98 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 108.944 -0.761 . . . . 0.5 108.944 176.282 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 1.8 t -88.82 -34.7 7.11 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.853 0 O-C-N 121.962 -0.461 . . . . 0.46000000000000002 112.238 179.393 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.621 ' HG ' ' HA ' ' B' ' 7' ' ' ILE . 4.7 pp -67.77 -28.87 67.98 Favored 'General case' 0 C--O 1.238 0.468 0 N-CA-C 107.88 -1.156 . . . . 0.47999999999999998 107.88 177.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.898 ' HA ' HG22 ' B' ' 14' ' ' THR . 4.1 pp -84.56 -35.61 22.69 Favored 'General case' 0 N--CA 1.439 -0.995 0 CA-C-N 115.204 -0.907 . . . . 0.41999999999999998 109.967 176.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 12' ' ' ALA . . . . . 0.449 ' N ' HD12 ' B' ' 11' ' ' LEU . . . -59.26 -38.26 79.64 Favored 'General case' 0 CA--C 1.514 -0.404 0 N-CA-C 107.685 -1.228 . . . . 0.32000000000000001 107.685 177.326 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.407 ' O ' ' HG ' ' B' ' 17' ' ' LEU . 32.1 mt -66.97 -54.32 23.03 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.439 -0.8 . . . . 0.40999999999999998 110.309 176.761 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 14' ' ' THR . . . . . 0.898 HG22 ' HA ' ' B' ' 11' ' ' LEU . 4.4 t -59.96 -45.93 91.06 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 111.832 0.308 . . . . 0.40999999999999998 111.832 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.571 ' HA ' HD23 ' B' ' 18' ' ' LEU . 71.4 t -62.18 -44.82 99.53 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.168 0 O-C-N 121.557 -0.714 . . . . 0.40000000000000002 110.078 178.427 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 16' ' ' PHE . . . . . 0.544 ' O ' HG23 ' B' ' 20' ' ' ILE . 49.0 t80 -54.42 -38.42 66.24 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 108.557 -0.905 . . . . 0.64000000000000001 108.557 177.846 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.705 HD12 ' HA ' ' B' ' 14' ' ' THR . 21.4 mt -69.03 -35.46 76.65 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.828 -0.623 . . . . 0.44 111.096 177.831 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.581 ' C ' HD12 ' B' ' 18' ' ' LEU . 0.2 OUTLIER -63.95 -49.07 74.02 Favored 'General case' 0 N--CA 1.422 -1.859 0 CA-C-O 121.393 0.616 . . . . 0.42999999999999999 109.977 179.708 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.864 ' O ' HG12 ' B' ' 23' ' ' ILE . 1.8 pp -66.7 -49.43 66.1 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.099 -0.955 . . . . 0.37 112.167 -179.232 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 20' ' ' ILE . . . . . 0.576 ' N ' HD12 ' B' ' 19' ' ' LEU . 36.4 pt -56.41 -27.3 24.32 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 CA-C-N 118.811 0.732 . . . . 0.37 109.327 177.722 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 64.0 m -76.43 -53.15 8.53 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.489 -0.778 . . . . 0.34999999999999998 109.836 177.102 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' LYS . . . . . 0.411 ' HA ' ' HD2' ' B' ' 22' ' ' LYS . 7.3 tptp -58.16 -27.05 63.45 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.19 -0.914 . . . . 0.56999999999999995 112.383 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.864 HG12 ' O ' ' B' ' 19' ' ' LEU . 10.8 mm -41.48 -50.57 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 N-CA-C 113.25 0.833 . . . . 0.45000000000000001 113.25 -179.59 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.946 ' HB ' ' HD3' ' B' ' 25' ' ' PRO . 40.6 t -70.55 -63.6 1.6 Allowed Pre-proline 0 CA--C 1.543 0.701 0 N-CA-C 111.766 0.284 . . . . 0.63 111.766 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 25' ' ' PRO . . . . . 0.946 ' HD3' ' HB ' ' B' ' 24' ' ' VAL . 66.6 Cg_endo -99.13 95.91 0.06 OUTLIER 'Trans proline' 0 C--N 1.356 0.927 0 C-N-CA 123.293 2.662 . . . . 0.46000000000000002 112.684 179.761 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 26' ' ' PRO . . . . . 0.614 ' HD3' ' O ' ' B' ' 24' ' ' VAL . 5.2 Cg_exo -77.37 -61.91 0.03 OUTLIER 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.539 2.159 . . . . 0.63 112.889 -179.624 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 51.1 p -78.88 58.07 2.28 Favored 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 112.438 0.532 . . . . 0.87 112.438 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' SER . . . . . 0.483 ' OG ' ' HB2' ' B' ' 25' ' ' PRO . 83.8 p . . . . . 0 C--O 1.253 1.263 0 CA-C-O 117.955 -1.021 . . . . 1.29 111.043 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 16.7 pm0 . . . . . 0 N--CA 1.489 1.519 0 CA-C-O 121.016 0.436 . . . . 0.98999999999999999 111.482 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 59.4 pttt -67.69 -23.25 65.28 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.38 0.609 . . . . 1.76 110.538 179.649 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 22.4 ptt? -88.58 15.42 8.08 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 115.491 -0.777 . . . . 0.98999999999999999 111.784 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 6.3 t -57.62 -35.05 69.95 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 112.505 0.558 . . . . 0.67000000000000004 112.505 -178.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 95.6 mt -68.5 -41.98 79.26 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-O 121.423 0.63 . . . . 0.93000000000000005 110.802 179.203 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' CYS . . . . . . . . . . . . . 44.8 m -65.94 -49.72 66.95 Favored 'General case' 0 C--O 1.221 -0.395 0 CA-C-N 115.8 -0.636 . . . . 0.66000000000000003 112.434 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' ILE . . . . . 0.645 ' HA ' ' HG ' ' B' ' 10' ' ' LEU . 19.0 tt -60.17 -36.69 69.71 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.411 0 N-CA-C 109.008 -0.738 . . . . 1.45 109.008 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 69.6 m -62.33 -28.11 69.52 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 108.957 -0.757 . . . . 0.54000000000000004 108.957 175.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 2.0 t -87.09 -33.81 7.13 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.958 0 C-N-CA 120.5 -0.48 . . . . 0.71999999999999997 111.905 179.055 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.645 ' HG ' ' HA ' ' B' ' 7' ' ' ILE . 4.6 pp -68.68 -28.97 67.33 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 107.851 -1.166 . . . . 0.67000000000000004 107.851 177.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' B' ' 7' ' ' ILE . 4.2 pp -84.51 -34.21 23.37 Favored 'General case' 0 N--CA 1.442 -0.856 0 CA-C-N 115.425 -0.807 . . . . 0.48999999999999999 109.802 176.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 12' ' ' ALA . . . . . 0.429 ' N ' HD12 ' B' ' 11' ' ' LEU . . . -60.13 -39.53 86.62 Favored 'General case' 0 CA--C 1.512 -0.485 0 N-CA-C 107.527 -1.286 . . . . 0.46999999999999997 107.527 177.215 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 30.7 mt -66.15 -50.0 65.5 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.475 -0.784 . . . . 0.75 109.352 176.458 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 99.3 m -56.83 -54.78 42.45 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.983 -0.553 . . . . 0.71999999999999997 111.839 178.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.674 ' HA ' HD23 ' B' ' 18' ' ' LEU . 77.7 t -58.43 -44.67 89.3 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.15 0 O-C-N 122.212 -0.305 . . . . 0.55000000000000004 110.809 178.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 16' ' ' PHE . . . . . 0.469 ' CD1' HD11 ' B' ' 19' ' ' LEU . 42.2 t80 -53.95 -40.05 66.48 Favored 'General case' 0 C--O 1.223 -0.314 0 N-CA-C 109.197 -0.668 . . . . 0.72999999999999998 109.197 178.434 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 21.6 mt -70.71 -32.02 69.07 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.101 -0.499 . . . . 0.77000000000000002 111.186 177.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.674 HD23 ' HA ' ' B' ' 15' ' ' VAL . 0.1 OUTLIER -66.32 -49.08 68.24 Favored 'General case' 0 N--CA 1.424 -1.76 0 CA-C-O 121.618 0.723 . . . . 0.70999999999999996 109.548 179.667 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.782 ' O ' HG13 ' B' ' 23' ' ' ILE . 1.6 pp -66.58 -48.24 70.21 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.011 -0.995 . . . . 0.46999999999999997 110.31 179.652 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 20' ' ' ILE . . . . . 0.563 ' N ' HD12 ' B' ' 19' ' ' LEU . 11.9 mm -52.45 -31.51 15.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.373 0.606 . . . . 0.64000000000000001 109.401 176.657 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 21' ' ' SER . . . . . 0.501 ' HB2' ' O ' ' B' ' 18' ' ' LEU . 58.6 m -72.99 -51.43 18.3 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.373 -0.83 . . . . 0.72999999999999998 111.001 177.694 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 6.5 tptp -59.65 -38.47 81.49 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 115.751 -0.659 . . . . 1.5 110.2 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.782 HG13 ' O ' ' B' ' 19' ' ' LEU . 26.6 mt -71.63 -50.67 37.75 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 CA-C-N 115.823 -0.626 . . . . 0.80000000000000004 111.962 179.454 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.473 ' HA ' ' HD3' ' B' ' 25' ' ' PRO . 43.8 t -116.64 112.58 40.83 Favored Pre-proline 0 CA--C 1.533 0.294 0 CA-C-O 120.88 0.371 . . . . 1.05 111.008 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 25' ' ' PRO . . . . . 0.473 ' HD3' ' HA ' ' B' ' 24' ' ' VAL . 7.1 Cg_exo -74.46 127.16 10.83 Favored 'Trans proline' 0 CA--C 1.532 0.387 0 C-N-CA 123.028 2.485 . . . . 0.97999999999999998 112.871 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -63.11 -42.3 23.98 Favored 'Trans proline' 0 CA--C 1.533 0.444 0 C-N-CA 122.194 1.93 . . . . 1.9399999999999999 112.342 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 81.9 p -76.75 -37.09 56.56 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.407 -0.36 . . . . 1.95 111.207 179.413 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 41.3 t . . . . . 0 C--O 1.253 1.269 0 CA-C-N 115.413 -0.812 . . . . 2.5099999999999998 111.777 -178.891 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 17.3 pm0 . . . . . 0 N--CA 1.488 1.464 0 CA-C-O 120.962 0.41 . . . . 1.05 111.28 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -67.9 -23.16 65.08 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.29 0.567 . . . . 1.71 110.592 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 15.0 ptp -90.38 19.12 5.43 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 115.564 -0.744 . . . . 1.2 111.613 179.453 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 5.6 t -57.89 -34.91 70.29 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 112.302 0.482 . . . . 0.84999999999999998 112.302 -179.009 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 95.9 mt -71.11 -39.71 71.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.392 0.615 . . . . 1.0800000000000001 110.444 178.738 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' CYS . . . . . 0.627 ' O ' ' HG ' ' B' ' 10' ' ' LEU . 20.9 m -65.04 -52.07 57.94 Favored 'General case' 0 C--O 1.218 -0.6 0 CA-C-N 115.823 -0.626 . . . . 0.67000000000000004 111.96 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 7' ' ' ILE . . . . . 0.456 ' O ' ' HG ' ' B' ' 11' ' ' LEU . 1.3 tp -56.91 -37.32 53.62 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 N-CA-C 108.717 -0.845 . . . . 1.1899999999999999 108.717 179.347 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 67.0 m -61.49 -29.04 69.72 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 109.42 -0.585 . . . . 0.47999999999999998 109.42 176.225 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 1.8 t -87.3 -32.19 6.22 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.836 0 O-C-N 121.845 -0.535 . . . . 0.63 111.432 178.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.627 ' HG ' ' O ' ' B' ' 6' ' ' CYS . 13.6 mt -64.88 -34.53 78.6 Favored 'General case' 0 CA--C 1.507 -0.693 0 N-CA-C 107.406 -1.331 . . . . 0.5 107.406 177.533 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' B' ' 7' ' ' ILE . 4.1 pp -82.91 -34.38 26.63 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 114.212 -1.358 . . . . 0.41999999999999998 110.388 178.136 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.94 -39.06 84.25 Favored 'General case' 0 CA--C 1.512 -0.483 0 N-CA-C 107.544 -1.28 . . . . 0.48999999999999999 107.544 177.115 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 28.2 mt -66.07 -50.85 62.67 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.563 -0.744 . . . . 0.68999999999999995 109.221 176.38 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 92.4 m -56.11 -54.41 45.4 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.88 -0.6 . . . . 0.58999999999999997 111.823 178.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.655 ' HA ' HD23 ' B' ' 18' ' ' LEU . 83.1 t -58.45 -46.2 89.66 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.13 0 O-C-N 122.177 -0.327 . . . . 0.54000000000000004 110.987 178.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 16' ' ' PHE . . . . . 0.428 ' O ' HG12 ' B' ' 20' ' ' ILE . 3.0 m-30 -54.69 -38.15 66.65 Favored 'General case' 0 C--O 1.221 -0.408 0 CA-C-O 121.416 0.627 . . . . 0.81999999999999995 109.506 178.268 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 20.6 mt -70.49 -32.26 69.71 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.349 -0.387 . . . . 0.83999999999999997 110.943 177.523 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.655 HD23 ' HA ' ' B' ' 15' ' ' VAL . 0.2 OUTLIER -66.35 -48.72 69.3 Favored 'General case' 0 N--CA 1.427 -1.62 0 CA-C-O 121.605 0.717 . . . . 0.68999999999999995 109.669 179.491 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.506 HD12 ' N ' ' B' ' 20' ' ' ILE . 1.6 pp -67.16 -45.85 75.77 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 114.892 -1.049 . . . . 0.66000000000000003 110.538 179.784 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 20' ' ' ILE . . . . . 0.506 ' N ' HD12 ' B' ' 19' ' ' LEU . 13.8 mm -58.55 -27.09 32.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 121.443 0.64 . . . . 0.84999999999999998 109.496 176.776 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 21' ' ' SER . . . . . 0.553 ' O ' HG13 ' B' ' 24' ' ' VAL . 29.8 m -73.22 -61.03 1.96 Allowed 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.634 -0.712 . . . . 0.85999999999999999 111.562 178.431 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 13.4 tptt -65.21 -41.46 94.45 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.835 -0.62 . . . . 1.4199999999999999 111.026 -179.256 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.439 HG13 ' O ' ' B' ' 19' ' ' LEU . 2.4 mt -95.44 60.42 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.953 -0.567 . . . . 0.94999999999999996 112.238 -179.423 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.553 HG13 ' O ' ' B' ' 21' ' ' SER . 5.7 m -64.74 136.02 96.61 Favored Pre-proline 0 CA--C 1.537 0.467 0 CA-C-O 121.095 0.474 . . . . 1.0600000000000001 112.078 179.668 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 25' ' ' PRO . . . . . 0.415 ' HA ' ' HD3' ' B' ' 26' ' ' PRO . 21.2 Cg_exo -66.96 133.23 30.49 Favored 'Trans proline' 0 CA--C 1.535 0.569 0 C-N-CA 122.793 2.329 . . . . 1.2 112.957 -179.707 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 26' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' B' ' 25' ' ' PRO . 9.4 Cg_endo -75.44 47.33 1.82 Allowed 'Trans proline' 0 CA--C 1.537 0.664 0 C-N-CA 122.764 2.31 . . . . 1.6899999999999999 112.954 179.748 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 81.7 p -80.71 72.55 7.67 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.133 0.492 . . . . 2.1600000000000001 111.655 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 77.1 p . . . . . 0 C--O 1.248 0.978 0 CA-C-O 118.277 -0.868 . . . . 3.9300000000000002 111.661 -179.557 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' GLU . . . . . 0.775 ' HG2' ' HG2' ' B' ' 2' ' ' LYS . 0.2 OUTLIER . . . . . 0 N--CA 1.493 1.69 0 CA-C-O 119.241 -0.409 . . . . 2.3900000000000001 111.653 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 2' ' ' LYS . . . . . 0.775 ' HG2' ' HG2' ' B' ' 1' ' ' GLU . 0.7 OUTLIER 61.87 -51.24 0.14 Allowed 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 124.603 1.161 . . . . 2.1000000000000001 112.52 -179.874 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 3' ' ' MET . . . . . 0.411 ' N ' ' O ' ' B' ' 1' ' ' GLU . 22.5 ptt? -86.19 9.88 16.21 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.444 -0.798 . . . . 1.4299999999999999 111.456 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 3.3 t -58.63 -41.02 85.0 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.967 -0.561 . . . . 0.66000000000000003 111.725 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 90.2 mt -68.96 -42.07 77.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.3 0.572 . . . . 0.91000000000000003 110.667 179.217 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' CYS . . . . . 0.588 ' O ' ' HG ' ' B' ' 10' ' ' LEU . 23.2 m -63.99 -52.0 61.66 Favored 'General case' 0 C--O 1.22 -0.474 0 CA-C-N 115.967 -0.56 . . . . 0.64000000000000001 112.28 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 7' ' ' ILE . . . . . 0.437 ' O ' ' HG ' ' B' ' 11' ' ' LEU . 15.1 tt -58.85 -35.58 56.9 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.463 0 N-CA-C 109.065 -0.717 . . . . 0.75 109.065 179.733 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 44.1 t -61.52 -28.14 69.11 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 108.85 -0.796 . . . . 0.57999999999999996 108.85 175.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 1.6 t -88.08 -32.03 5.93 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.921 0 C-N-CA 120.679 -0.409 . . . . 0.62 111.578 178.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.588 ' HG ' ' O ' ' B' ' 6' ' ' CYS . 14.3 mt -64.39 -34.46 78.22 Favored 'General case' 0 CA--C 1.508 -0.661 0 N-CA-C 107.583 -1.266 . . . . 0.59999999999999998 107.583 177.651 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' B' ' 7' ' ' ILE . 3.8 pp -83.38 -35.82 24.8 Favored 'General case' 0 N--CA 1.442 -0.832 0 CA-C-N 114.033 -1.44 . . . . 0.54000000000000004 110.227 177.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 12' ' ' ALA . . . . . 0.41 ' O ' ' HB2' ' B' ' 16' ' ' PHE . . . -58.67 -37.81 76.83 Favored 'General case' 0 CA--C 1.512 -0.489 0 N-CA-C 107.668 -1.234 . . . . 0.40999999999999998 107.668 177.484 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 28.2 mt -68.06 -53.38 26.09 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.542 -0.754 . . . . 0.55000000000000004 109.878 176.76 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' THR . . . . . 0.529 ' HA ' HD12 ' B' ' 17' ' ' LEU . 0.5 OUTLIER -58.04 -46.75 84.82 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 116.517 -0.311 . . . . 1.1799999999999999 111.571 179.607 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.561 ' HA ' HD23 ' B' ' 18' ' ' LEU . 76.2 t -63.6 -44.85 98.73 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.2 0 O-C-N 121.596 -0.69 . . . . 0.5 110.618 178.631 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 16' ' ' PHE . . . . . 0.664 ' O ' ' HB ' ' B' ' 20' ' ' ILE . 15.8 t80 -55.13 -35.36 64.61 Favored 'General case' 0 C--O 1.224 -0.274 0 N-CA-C 108.749 -0.834 . . . . 2.0499999999999998 108.749 178.211 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.529 HD12 ' HA ' ' B' ' 14' ' ' THR . 22.4 mt -74.04 -32.81 63.48 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.914 -0.585 . . . . 0.59999999999999998 110.972 177.576 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.57 ' C ' HD12 ' B' ' 18' ' ' LEU . 0.2 OUTLIER -64.24 -50.41 68.11 Favored 'General case' 0 N--CA 1.422 -1.86 0 N-CA-C 109.237 -0.653 . . . . 0.54000000000000004 109.237 179.506 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.753 ' O ' HG13 ' B' ' 23' ' ' ILE . 2.3 pp -68.82 -41.94 77.92 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.142 -0.935 . . . . 0.46999999999999997 110.786 179.484 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 20' ' ' ILE . . . . . 0.664 ' HB ' ' O ' ' B' ' 16' ' ' PHE . 1.3 tp -55.79 -28.5 23.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 108.949 -0.76 . . . . 0.77000000000000002 108.949 177.545 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 69.3 m -83.88 -51.47 7.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.993 -1.003 . . . . 0.47999999999999998 109.865 177.467 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 7.2 tptp -57.44 -23.33 48.97 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 114.921 -1.036 . . . . 0.69999999999999996 112.953 -179.215 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.753 HG13 ' O ' ' B' ' 19' ' ' LEU . 55.9 mt -41.47 -48.42 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 N-CA-C 112.949 0.722 . . . . 0.77000000000000002 112.949 -179.633 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.876 ' HB ' ' HD3' ' B' ' 25' ' ' PRO . 40.4 t -75.12 -61.56 0.99 Allowed Pre-proline 0 CA--C 1.547 0.835 0 N-CA-C 112.135 0.42 . . . . 1.0900000000000001 112.135 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 25' ' ' PRO . . . . . 0.876 ' HD3' ' HB ' ' B' ' 24' ' ' VAL . 60.7 Cg_endo -90.06 114.16 0.53 Allowed 'Trans proline' 0 C--N 1.357 1.024 0 C-N-CA 122.492 2.128 . . . . 0.73999999999999999 112.915 179.682 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 26' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' B' ' 25' ' ' PRO . 6.0 Cg_exo -77.8 -73.66 0.01 OUTLIER 'Trans proline' 0 CA--C 1.539 0.735 0 C-N-CA 122.9 2.4 . . . . 1.26 114.095 -179.168 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 4.5 t -65.9 -33.9 76.89 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 112.873 0.694 . . . . 2.04 112.873 -178.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 96.1 p . . . . . 0 C--O 1.251 1.18 0 CA-C-O 118.071 -0.966 . . . . 1.1799999999999999 110.767 -179.708 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 . . . . . 0 N--CA 1.49 1.54 0 CA-C-O 121.067 0.46 . . . . 1.8700000000000001 111.29 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 19.8 ptpt -88.03 -24.67 23.42 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.632 -0.713 . . . . 2.3999999999999999 111.383 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 16.4 ptp -100.87 13.81 33.85 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 112.471 0.545 . . . . 2.0299999999999998 112.471 -179.273 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 6.8 t -57.61 -39.99 78.13 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 111.997 0.369 . . . . 1.1699999999999999 111.997 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 91.0 mt -69.16 -41.27 77.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.187 0.518 . . . . 1.26 110.628 178.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' CYS . . . . . 0.618 ' O ' ' HG ' ' B' ' 10' ' ' LEU . 34.6 m -65.09 -52.16 57.15 Favored 'General case' 0 C--O 1.219 -0.518 0 CA-C-N 115.946 -0.57 . . . . 0.76000000000000001 112.252 -179.699 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 7' ' ' ILE . . . . . 0.469 ' O ' ' HG ' ' B' ' 11' ' ' LEU . 7.8 tp -58.51 -35.83 56.44 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.468 0 N-CA-C 108.686 -0.857 . . . . 0.88 108.686 179.422 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 27.1 t -61.35 -29.65 70.03 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 109.017 -0.734 . . . . 0.93000000000000005 109.017 176.177 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 1.8 t -87.07 -32.38 6.36 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.795 0 C-N-CA 120.491 -0.483 . . . . 1.05 111.659 178.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.618 ' HG ' ' O ' ' B' ' 6' ' ' CYS . 14.9 mt -64.74 -34.39 78.21 Favored 'General case' 0 CA--C 1.507 -0.684 0 N-CA-C 107.475 -1.306 . . . . 0.95999999999999996 107.475 177.805 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' B' ' 7' ' ' ILE . 3.9 pp -82.84 -34.82 26.75 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 114.219 -1.355 . . . . 0.58999999999999997 110.147 177.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.71 -38.71 82.35 Favored 'General case' 0 CA--C 1.514 -0.411 0 N-CA-C 107.753 -1.203 . . . . 0.82999999999999996 107.753 177.318 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 32.0 mt -66.88 -50.89 61.05 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.535 -0.757 . . . . 1.3100000000000001 109.361 176.476 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 91.6 m -55.97 -54.45 44.67 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.8 -0.636 . . . . 0.66000000000000003 111.761 178.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.662 ' HA ' HD23 ' B' ' 18' ' ' LEU . 81.1 t -59.12 -44.67 92.14 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.206 0 O-C-N 122.157 -0.339 . . . . 0.64000000000000001 110.801 178.792 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 16' ' ' PHE . . . . . 0.474 ' CD1' HD11 ' B' ' 19' ' ' LEU . 43.0 t80 -53.8 -39.65 65.67 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-O 121.602 0.715 . . . . 1.5900000000000001 109.081 178.255 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 21.4 mt -70.94 -32.74 69.72 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.037 -0.529 . . . . 1.2 111.01 177.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.662 HD23 ' HA ' ' B' ' 15' ' ' VAL . 0.1 OUTLIER -65.83 -48.64 70.96 Favored 'General case' 0 N--CA 1.425 -1.68 0 CA-C-O 121.622 0.725 . . . . 0.55000000000000004 109.708 179.612 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.543 HD12 ' N ' ' B' ' 20' ' ' ILE . 1.8 pp -67.1 -46.27 74.73 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 114.914 -1.039 . . . . 0.96999999999999997 110.646 179.765 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 20' ' ' ILE . . . . . 0.543 ' N ' HD12 ' B' ' 19' ' ' LEU . 13.4 mm -57.83 -27.52 30.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.543 0.687 . . . . 1.22 109.68 176.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 21' ' ' SER . . . . . 0.51 ' HB2' ' O ' ' B' ' 18' ' ' LEU . 27.6 m -72.98 -59.57 2.64 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.438 -0.801 . . . . 0.68000000000000005 111.843 178.701 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 12.9 tptt -67.66 -42.04 82.8 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 115.522 -0.763 . . . . 1.47 111.045 -179.018 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.436 HG13 ' O ' ' B' ' 19' ' ' LEU . 3.3 mt -92.15 68.68 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.792 -0.64 . . . . 0.89000000000000001 111.84 -179.646 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 47.4 t -62.61 123.54 79.56 Favored Pre-proline 0 CA--C 1.534 0.36 0 CA-C-N 116.226 -0.443 . . . . 0.76000000000000001 111.231 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' PRO . . . . . 0.424 ' HA ' ' HD3' ' B' ' 26' ' ' PRO . 45.9 Cg_endo -66.31 132.5 29.71 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.506 2.137 . . . . 0.93999999999999995 112.565 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 26' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' B' ' 25' ' ' PRO . 5.2 Cg_exo -68.41 138.94 43.89 Favored 'Trans proline' 0 CA--C 1.532 0.383 0 C-N-CA 122.281 1.987 . . . . 1.24 112.655 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 69.8 p -83.91 37.15 0.58 Allowed 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.505 -0.316 . . . . 2.1899999999999999 111.28 179.607 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 30.4 t . . . . . 0 C--O 1.251 1.165 0 CA-C-O 118.119 -0.943 . . . . 3.2200000000000002 110.888 -179.828 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 . . . . . 0 N--CA 1.491 1.608 0 N-CA-C 112.03 0.382 . . . . 2.8199999999999998 112.03 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 9.9 ptpp? -68.19 -21.99 64.84 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-O 121.318 0.58 . . . . 2.7200000000000002 110.509 179.025 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 20.2 ptt? -87.53 16.75 5.17 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 115.523 -0.762 . . . . 1.6200000000000001 112.108 179.672 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 5.1 t -53.94 -41.04 67.31 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 112.013 0.375 . . . . 1.1899999999999999 112.013 -179.652 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 87.0 mt -66.92 -42.81 84.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.25 0.547 . . . . 1.5 110.88 179.122 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' CYS . . . . . 0.599 ' O ' ' HG ' ' B' ' 10' ' ' LEU . 31.1 m -64.64 -51.82 60.63 Favored 'General case' 0 C--O 1.219 -0.508 0 CA-C-N 116.017 -0.538 . . . . 0.94999999999999996 112.191 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 7' ' ' ILE . . . . . 0.439 ' O ' ' HG ' ' B' ' 11' ' ' LEU . 15.2 tt -59.2 -35.45 57.8 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.431 0 N-CA-C 108.924 -0.769 . . . . 0.76000000000000001 108.924 179.614 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 29.5 t -62.39 -27.48 69.11 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 109.009 -0.737 . . . . 0.89000000000000001 109.009 175.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 1.5 t -87.72 -31.81 5.96 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.871 0 C-N-CA 120.388 -0.525 . . . . 1.0700000000000001 111.212 178.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.599 ' HG ' ' O ' ' B' ' 6' ' ' CYS . 13.9 mt -64.88 -34.59 78.75 Favored 'General case' 0 CA--C 1.51 -0.594 0 N-CA-C 107.344 -1.354 . . . . 0.90000000000000002 107.344 177.468 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' B' ' 7' ' ' ILE . 4.0 pp -83.25 -34.55 25.8 Favored 'General case' 0 C--O 1.214 -0.795 0 CA-C-N 114.148 -1.387 . . . . 0.62 110.316 178.145 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.9 -38.28 81.82 Favored 'General case' 0 CA--C 1.514 -0.421 0 N-CA-C 107.672 -1.233 . . . . 0.78000000000000003 107.672 177.275 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.4 ' O ' ' HG ' ' B' ' 17' ' ' LEU . 28.0 mt -67.34 -51.04 57.19 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 115.552 -0.749 . . . . 1.24 109.198 176.415 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 14' ' ' THR . . . . . 0.4 ' HA ' HD12 ' B' ' 17' ' ' LEU . 89.4 m -55.55 -54.27 46.07 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 115.906 -0.588 . . . . 0.95999999999999996 111.752 178.832 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.655 ' HA ' HD23 ' B' ' 18' ' ' LEU . 89.1 t -59.45 -45.08 93.96 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.199 0 O-C-N 122.212 -0.305 . . . . 0.79000000000000004 110.842 178.855 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 16' ' ' PHE . . . . . 0.461 ' CD1' HD11 ' B' ' 19' ' ' LEU . 48.4 t80 -53.89 -37.65 63.96 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.481 0.658 . . . . 1.5600000000000001 109.227 178.324 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.577 ' HA ' HG22 ' B' ' 20' ' ' ILE . 21.0 mt -72.43 -34.01 67.52 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.957 -0.565 . . . . 1.4299999999999999 110.868 177.717 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.655 HD23 ' HA ' ' B' ' 15' ' ' VAL . 0.2 OUTLIER -65.01 -48.94 72.14 Favored 'General case' 0 N--CA 1.423 -1.781 0 CA-C-O 121.633 0.73 . . . . 1.0600000000000001 109.622 179.624 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.596 HD12 ' N ' ' B' ' 20' ' ' ILE . 2.3 pp -68.2 -46.46 70.58 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 114.861 -1.063 . . . . 0.96999999999999997 110.929 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 20' ' ' ILE . . . . . 0.596 ' N ' HD12 ' B' ' 19' ' ' LEU . 4.1 tp -58.86 -24.44 26.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 121.249 0.547 . . . . 1.3400000000000001 109.745 178.047 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 21' ' ' SER . . . . . 0.562 ' O ' HG13 ' B' ' 24' ' ' VAL . 31.6 m -77.32 -60.32 2.41 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-N 115.477 -0.783 . . . . 1.4199999999999999 111.081 178.207 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 6.2 tptp -62.41 -41.86 99.0 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 115.321 -0.854 . . . . 1.5600000000000001 111.378 -179.157 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.523 HG13 ' O ' ' B' ' 19' ' ' LEU . 4.5 mt -87.45 56.04 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 112.538 0.57 . . . . 1.77 112.538 -179.141 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.562 HG13 ' O ' ' B' ' 21' ' ' SER . 3.7 m -62.5 128.62 91.74 Favored Pre-proline 0 C--N 1.331 -0.22 0 CA-C-N 116.417 -0.356 . . . . 1.1899999999999999 110.774 178.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 25' ' ' PRO . . . . . 0.467 ' HB2' HG22 ' B' ' 27' ' ' THR . 31.7 Cg_endo -64.75 134.56 41.12 Favored 'Trans proline' 0 C--O 1.236 0.412 0 C-N-CA 121.847 1.698 . . . . 2.3300000000000001 111.953 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -67.04 40.49 0.17 Allowed 'Trans proline' 0 N--CA 1.481 0.788 0 C-N-CA 123.497 2.798 . . . . 2.77 113.525 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' THR . . . . . 0.467 HG22 ' HB2' ' B' ' 25' ' ' PRO . 6.8 t -144.03 -5.21 0.79 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.053 -0.522 . . . . 3.9500000000000002 111.327 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 60.6 p . . . . . 0 C--O 1.251 1.142 0 CA-C-O 118.614 -0.708 . . . . 5.3799999999999999 112.577 -179.983 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' GLU . . . . . 0.632 ' OE1' ' HE2' ' B' ' 2' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.653 0 N-CA-C 111.596 0.221 . . . . 1.8500000000000001 111.596 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 2' ' ' LYS . . . . . 0.632 ' HE2' ' OE1' ' B' ' 1' ' ' GLU . 2.3 mttt 61.88 -48.87 0.15 Allowed 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 124.94 1.296 . . . . 1.8799999999999999 112.867 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 21.4 ptm -76.85 6.55 5.97 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.929 -0.578 . . . . 1.4099999999999999 112.069 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 3.0 t -60.24 -41.03 92.31 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 120.809 0.337 . . . . 0.60999999999999999 111.406 179.617 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 90.3 mt -68.41 -41.36 80.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.212 0.529 . . . . 0.80000000000000004 110.553 178.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' CYS . . . . . 0.622 ' O ' ' HG ' ' B' ' 10' ' ' LEU . 29.4 m -64.61 -52.65 56.34 Favored 'General case' 0 C--O 1.219 -0.506 0 CA-C-N 116.01 -0.541 . . . . 0.54000000000000004 112.22 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 7' ' ' ILE . . . . . 0.459 ' O ' ' HG ' ' B' ' 11' ' ' LEU . 8.1 tp -58.44 -36.59 59.63 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.462 0 N-CA-C 108.933 -0.765 . . . . 0.54000000000000004 108.933 179.578 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 39.9 t -62.24 -27.12 68.77 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 109.237 -0.653 . . . . 0.53000000000000003 109.237 176.125 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 1.4 t -88.2 -32.24 5.96 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.857 0 C-N-CA 120.331 -0.548 . . . . 0.47999999999999998 111.371 178.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.622 ' HG ' ' O ' ' B' ' 6' ' ' CYS . 14.1 mt -65.06 -34.23 77.93 Favored 'General case' 0 CA--C 1.509 -0.619 0 N-CA-C 107.462 -1.31 . . . . 0.52000000000000002 107.462 177.597 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' B' ' 7' ' ' ILE . 4.0 pp -83.06 -35.09 26.01 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 114.15 -1.386 . . . . 0.54000000000000004 110.309 177.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.75 -38.38 81.61 Favored 'General case' 0 CA--C 1.514 -0.431 0 N-CA-C 107.704 -1.221 . . . . 0.42999999999999999 107.704 177.323 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 29.0 mt -67.05 -50.72 61.0 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.595 -0.73 . . . . 0.56999999999999995 109.317 176.508 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 89.2 m -56.34 -54.3 47.17 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.968 -0.56 . . . . 0.57999999999999996 111.824 178.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.658 ' HA ' HD23 ' B' ' 18' ' ' LEU . 79.0 t -58.77 -44.88 91.19 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.166 0 O-C-N 122.13 -0.356 . . . . 0.5 110.86 178.742 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 16' ' ' PHE . . . . . 0.475 ' CD1' HD11 ' B' ' 19' ' ' LEU . 43.1 t80 -54.08 -39.93 66.76 Favored 'General case' 0 C--O 1.223 -0.335 0 CA-C-O 121.596 0.712 . . . . 0.64000000000000001 109.195 178.34 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 22.4 mt -70.6 -32.19 69.45 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.02 -0.536 . . . . 0.59999999999999998 111.037 177.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.658 HD23 ' HA ' ' B' ' 15' ' ' VAL . 0.1 OUTLIER -66.03 -48.97 69.34 Favored 'General case' 0 N--CA 1.425 -1.723 0 CA-C-O 121.573 0.702 . . . . 0.55000000000000004 109.568 179.662 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.768 ' O ' HG13 ' B' ' 23' ' ' ILE . 1.5 pp -66.47 -48.16 70.78 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.132 -0.94 . . . . 0.46000000000000002 110.361 179.644 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 20' ' ' ILE . . . . . 0.547 ' N ' HD12 ' B' ' 19' ' ' LEU . 13.8 mm -53.07 -31.15 17.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.339 0.59 . . . . 0.53000000000000003 109.455 176.759 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 21' ' ' SER . . . . . 0.513 ' HB2' ' O ' ' B' ' 18' ' ' LEU . 57.8 m -73.05 -50.64 21.79 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.357 -0.838 . . . . 0.52000000000000002 110.887 177.776 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 1.6 tptm -60.19 -39.73 87.57 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 115.338 -0.846 . . . . 0.98999999999999999 110.043 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.768 HG13 ' O ' ' B' ' 19' ' ' LEU . 23.2 mt -72.71 -54.42 16.09 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 CA-C-N 115.671 -0.695 . . . . 0.64000000000000001 112.455 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.43 ' HA ' ' HD3' ' B' ' 25' ' ' PRO . 47.1 t -105.56 116.02 60.81 Favored Pre-proline 0 CA--C 1.531 0.241 0 CA-C-O 120.964 0.411 . . . . 0.81000000000000005 111.575 -179.544 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 25' ' ' PRO . . . . . 0.474 ' HA ' ' HD3' ' B' ' 26' ' ' PRO . 6.2 Cg_exo -73.86 128.97 12.9 Favored 'Trans proline' 0 CA--C 1.533 0.457 0 C-N-CA 122.905 2.403 . . . . 0.80000000000000004 112.824 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 26' ' ' PRO . . . . . 0.474 ' HD3' ' HA ' ' B' ' 25' ' ' PRO . 28.5 Cg_exo -62.27 -42.01 31.08 Favored 'Trans proline' 0 CA--C 1.534 0.484 0 C-N-CA 122.841 2.36 . . . . 1.47 112.557 179.786 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 76.7 p -81.29 60.15 4.26 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 116.341 -0.391 . . . . 2.0499999999999998 111.47 179.587 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 29.3 t . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.355 -0.831 . . . . 1.97 111.57 -179.913 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.49 1.562 0 CA-C-O 120.95 0.405 . . . . 2.5 111.779 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 2' ' ' LYS . . . . . 0.414 ' H ' ' HG2' ' B' ' 2' ' ' LYS . 19.1 pttp -67.94 -21.73 65.09 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.887 -0.597 . . . . 1.4199999999999999 111.415 179.568 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 15.8 ptp -81.12 16.89 1.38 Allowed 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 115.909 -0.587 . . . . 1.9199999999999999 112.373 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 4.4 t -56.04 -39.87 72.65 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 112.264 0.468 . . . . 1.1299999999999999 112.264 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 88.1 mt -66.92 -42.78 84.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.113 0.482 . . . . 1.3700000000000001 110.901 179.213 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' CYS . . . . . 0.615 ' O ' ' HG ' ' B' ' 10' ' ' LEU . 29.9 m -65.57 -52.31 53.24 Favored 'General case' 0 C--O 1.218 -0.564 0 CA-C-N 116.058 -0.519 . . . . 0.93999999999999995 112.379 -179.8 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 7' ' ' ILE . . . . . 0.464 ' O ' ' HG ' ' B' ' 11' ' ' LEU . 7.9 tp -58.05 -36.57 57.25 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.44 0 N-CA-C 108.839 -0.8 . . . . 0.85999999999999999 108.839 179.649 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 48.1 t -60.82 -30.13 69.9 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 108.955 -0.758 . . . . 0.89000000000000001 108.955 176.03 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 1.6 t -86.71 -32.19 6.45 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.774 0 O-C-N 121.846 -0.534 . . . . 1.1299999999999999 111.918 178.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.615 ' HG ' ' O ' ' B' ' 6' ' ' CYS . 14.2 mt -65.1 -34.09 77.57 Favored 'General case' 0 CA--C 1.508 -0.664 0 N-CA-C 107.571 -1.27 . . . . 1.02 107.571 177.846 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' B' ' 7' ' ' ILE . 4.0 pp -83.03 -34.58 26.22 Favored 'General case' 0 C--O 1.215 -0.738 0 CA-C-N 114.262 -1.335 . . . . 0.59999999999999998 110.243 177.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 12' ' ' ALA . . . . . 0.425 ' O ' ' HB2' ' B' ' 16' ' ' PHE . . . -59.96 -39.05 84.28 Favored 'General case' 0 CA--C 1.514 -0.418 0 N-CA-C 107.662 -1.236 . . . . 0.81000000000000005 107.662 177.413 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 29.9 mt -67.19 -48.89 66.57 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.579 -0.737 . . . . 1.3200000000000001 109.427 176.605 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' THR . . . . . 0.546 ' O ' ' HG ' ' B' ' 17' ' ' LEU . 96.7 m -57.81 -54.14 50.28 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 115.827 -0.624 . . . . 0.78000000000000003 111.629 178.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.768 ' HA ' HD23 ' B' ' 18' ' ' LEU . 94.2 t -59.65 -45.93 93.79 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.36 0 O-C-N 121.546 -0.721 . . . . 0.68000000000000005 110.661 178.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 16' ' ' PHE . . . . . 0.425 ' HB2' ' O ' ' B' ' 12' ' ' ALA . 1.2 m-85 -54.4 -37.36 64.97 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 120.925 -0.31 . . . . 2.0499999999999998 111.063 178.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.689 ' HA ' HG22 ' B' ' 20' ' ' ILE . 4.4 pp -79.61 -25.22 41.53 Favored 'General case' 0 N--CA 1.444 -0.739 0 C-N-CA 119.41 -0.916 . . . . 1.04 110.514 178.327 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.768 HD23 ' HA ' ' B' ' 15' ' ' VAL . 0.1 OUTLIER -67.66 -49.66 61.77 Favored 'General case' 0 N--CA 1.423 -1.804 0 N-CA-C 108.695 -0.854 . . . . 0.70999999999999996 108.695 178.283 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.612 HD12 ' N ' ' B' ' 20' ' ' ILE . 2.3 pp -67.52 -45.75 74.86 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.62 -1.173 . . . . 0.85999999999999999 110.782 179.555 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 20' ' ' ILE . . . . . 0.689 HG22 ' HA ' ' B' ' 17' ' ' LEU . 3.6 tp -60.05 -24.08 29.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.061 0.458 . . . . 1.1200000000000001 110.01 178.238 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 30.3 m -77.64 -61.57 1.95 Allowed 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.822 -0.626 . . . . 0.87 111.181 178.48 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 13.5 tptt -61.99 -42.43 99.14 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 115.249 -0.887 . . . . 1.3899999999999999 111.064 -179.262 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.425 HG13 ' O ' ' B' ' 19' ' ' LEU . 2.3 mt -94.61 44.52 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.012 -0.54 . . . . 0.85999999999999999 111.676 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.436 ' HA ' ' HD3' ' B' ' 25' ' ' PRO . 7.5 p -69.43 127.47 92.78 Favored Pre-proline 0 CA--C 1.535 0.4 0 CA-C-O 121.104 0.478 . . . . 0.69999999999999996 111.089 179.657 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 25' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' B' ' 24' ' ' VAL . 21.4 Cg_exo -66.15 126.77 16.32 Favored 'Trans proline' 0 CA--C 1.532 0.392 0 C-N-CA 122.559 2.173 . . . . 0.89000000000000001 112.55 -179.416 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.14 48.29 0.69 Allowed 'Trans proline' 0 C--N 1.35 0.653 0 C-N-CA 123.123 2.548 . . . . 1.5800000000000001 112.793 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 93.5 m -164.84 -49.5 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.648 -0.705 . . . . 2.4700000000000002 109.602 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 57.0 m . . . . . 0 C--O 1.252 1.19 0 CA-C-O 118.283 -0.865 . . . . 3.4500000000000002 112.194 179.507 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 . . . . . 0 N--CA 1.488 1.45 0 CA-C-O 121.173 0.511 . . . . 1.22 111.656 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 59.4 pttt -68.22 -22.02 64.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.289 0.566 . . . . 1.53 110.762 179.541 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 21.1 ptt? -84.39 14.29 4.59 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 115.616 -0.72 . . . . 1.27 112.125 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 5.9 t -55.77 -40.69 72.95 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 112.172 0.434 . . . . 0.60999999999999999 112.172 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 93.7 mt -67.69 -39.97 84.39 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-O 121.11 0.481 . . . . 0.80000000000000004 111.04 179.377 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' CYS . . . . . . . . . . . . . 34.6 m -67.21 -50.54 60.41 Favored 'General case' 0 C--O 1.22 -0.458 0 N-CA-C 112.348 0.499 . . . . 0.45000000000000001 112.348 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' ILE . . . . . 0.641 ' HA ' ' HG ' ' B' ' 10' ' ' LEU . 14.2 tt -60.14 -38.49 77.26 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.555 0 N-CA-C 108.687 -0.857 . . . . 0.71999999999999997 108.687 179.635 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 33.4 t -60.25 -29.04 68.51 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 108.954 -0.758 . . . . 0.47999999999999998 108.954 176.08 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 1.8 t -87.51 -34.26 7.29 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.864 0 N-CA-C 112.48 0.548 . . . . 0.54000000000000004 112.48 179.317 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.641 ' HG ' ' HA ' ' B' ' 7' ' ' ILE . 4.7 pp -67.82 -29.15 68.24 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.023 -1.103 . . . . 0.57999999999999996 108.023 178.086 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.52 ' HG ' ' O ' ' B' ' 7' ' ' ILE . 4.1 pp -84.45 -34.82 23.36 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-N 115.328 -0.851 . . . . 0.45000000000000001 109.764 176.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 12' ' ' ALA . . . . . 0.439 ' N ' HD12 ' B' ' 11' ' ' LEU . . . -59.62 -39.0 82.84 Favored 'General case' 0 CA--C 1.514 -0.427 0 N-CA-C 107.607 -1.257 . . . . 0.35999999999999999 107.607 177.343 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.403 ' O ' ' HG ' ' B' ' 17' ' ' LEU . 30.5 mt -66.39 -50.78 62.31 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.554 -0.748 . . . . 0.63 109.393 176.456 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 14' ' ' THR . . . . . 0.451 ' HA ' HD12 ' B' ' 17' ' ' LEU . 95.6 m -56.48 -54.17 48.92 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 116.037 -0.528 . . . . 0.52000000000000002 111.791 178.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.655 ' HA ' HD23 ' B' ' 18' ' ' LEU . 82.3 t -58.99 -44.81 91.98 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.161 0 O-C-N 122.199 -0.313 . . . . 0.46999999999999997 110.783 178.859 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 16' ' ' PHE . . . . . 0.523 ' O ' HG23 ' B' ' 20' ' ' ILE . 43.2 t80 -53.44 -40.67 65.4 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 109.009 -0.737 . . . . 0.82999999999999996 109.009 178.227 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.563 ' HA ' HG12 ' B' ' 20' ' ' ILE . 21.4 mt -68.34 -34.84 76.82 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.798 -0.637 . . . . 0.64000000000000001 111.01 177.743 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.655 HD23 ' HA ' ' B' ' 15' ' ' VAL . 0.2 OUTLIER -65.17 -48.21 74.29 Favored 'General case' 0 N--CA 1.424 -1.728 0 CA-C-O 121.518 0.675 . . . . 0.46000000000000002 110.162 179.849 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.554 HD12 ' N ' ' B' ' 20' ' ' ILE . 1.8 pp -66.36 -48.6 69.69 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 114.903 -1.044 . . . . 0.40000000000000002 111.781 -179.368 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 20' ' ' ILE . . . . . 0.563 HG12 ' HA ' ' B' ' 17' ' ' LEU . 33.7 pt -60.43 -24.48 31.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 C-N-CA 120.068 -0.653 . . . . 0.56999999999999995 109.755 177.625 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 21' ' ' SER . . . . . 0.455 ' HB2' ' O ' ' B' ' 18' ' ' LEU . 21.5 m -73.81 -63.06 1.29 Allowed 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.552 -0.749 . . . . 0.51000000000000001 111.199 178.592 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 6.2 tptp -62.71 -41.97 99.41 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 115.425 -0.807 . . . . 1.02 110.994 -179.522 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.435 HG13 ' O ' ' B' ' 19' ' ' LEU . 2.3 mt -94.7 45.03 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.06 -0.518 . . . . 0.63 111.595 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 7.6 p -69.46 129.9 91.2 Favored Pre-proline 0 CA--C 1.538 0.489 0 CA-C-N 116.117 -0.492 . . . . 0.67000000000000004 111.07 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -63.81 124.98 14.5 Favored 'Trans proline' 0 CA--C 1.532 0.399 0 C-N-CA 122.014 1.809 . . . . 0.89000000000000001 112.887 -179.458 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -76.42 64.35 7.25 Favored 'Trans proline' 0 CA--C 1.534 0.517 0 C-N-CA 122.478 2.119 . . . . 1.1799999999999999 111.829 179.192 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 9.6 t -160.72 123.91 3.36 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 115.693 -0.685 . . . . 1.9399999999999999 111.87 -178.658 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 90.7 p . . . . . 0 C--O 1.249 1.071 0 N-CA-C 113.816 1.043 . . . . 3.48 113.816 179.067 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 . . . . . 0 N--CA 1.492 1.657 0 CA-C-O 121.034 0.445 . . . . 1.47 112.005 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 58.0 pttt -68.88 -24.64 64.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.744 -0.662 . . . . 1.24 110.651 178.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 21.6 ptm -78.6 12.08 2.22 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 115.63 -0.714 . . . . 1.29 112.169 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 6.0 t -58.07 -38.06 75.64 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 120.804 0.335 . . . . 0.59999999999999998 111.781 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 91.4 mt -69.3 -42.32 75.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.154 0.502 . . . . 0.81000000000000005 110.838 179.198 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' CYS . . . . . . . . . . . . . 32.7 m -64.71 -50.08 68.36 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-N 115.994 -0.548 . . . . 0.66000000000000003 112.399 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' ILE . . . . . 0.618 ' HA ' ' HG ' ' B' ' 10' ' ' LEU . 14.7 tt -59.98 -38.17 75.48 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.572 0 N-CA-C 108.881 -0.785 . . . . 0.67000000000000004 108.881 179.687 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 70.9 m -62.08 -27.09 68.67 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 109.128 -0.693 . . . . 0.40999999999999998 109.128 176.088 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 2.1 t -87.51 -34.45 7.42 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.887 0 O-C-N 121.915 -0.491 . . . . 0.66000000000000003 112.014 179.174 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.618 ' HG ' ' HA ' ' B' ' 7' ' ' ILE . 4.7 pp -68.49 -29.04 67.57 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 107.911 -1.144 . . . . 0.57999999999999996 107.911 177.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' B' ' 7' ' ' ILE . 4.1 pp -84.34 -33.94 23.76 Favored 'General case' 0 N--CA 1.441 -0.88 0 CA-C-N 115.412 -0.813 . . . . 0.46999999999999997 109.781 176.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 12' ' ' ALA . . . . . 0.419 ' N ' HD12 ' B' ' 11' ' ' LEU . . . -60.58 -40.29 91.21 Favored 'General case' 0 CA--C 1.515 -0.378 0 N-CA-C 107.44 -1.319 . . . . 0.51000000000000001 107.44 177.16 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 31.0 mt -65.44 -48.43 72.75 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 115.519 -0.764 . . . . 0.73999999999999999 109.549 176.528 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' THR . . . . . 0.55 ' O ' ' HG ' ' B' ' 17' ' ' LEU . 99.7 m -59.3 -54.5 46.06 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 115.857 -0.611 . . . . 0.53000000000000003 111.849 179.066 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.759 ' HA ' HD23 ' B' ' 18' ' ' LEU . 91.0 t -59.05 -46.11 91.98 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.29 0 O-C-N 121.452 -0.78 . . . . 0.62 110.904 179.118 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 16' ' ' PHE . . . . . 0.552 ' O ' HG23 ' B' ' 20' ' ' ILE . 3.0 m-85 -55.39 -39.01 69.63 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.711 -0.396 . . . . 1.05 110.877 179.016 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.772 ' HA ' HG12 ' B' ' 20' ' ' ILE . 4.4 pp -75.85 -25.92 56.67 Favored 'General case' 0 N--CA 1.444 -0.725 0 C-N-CA 119.166 -1.014 . . . . 0.60999999999999999 110.504 178.231 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.759 HD23 ' HA ' ' B' ' 15' ' ' VAL . 0.1 OUTLIER -67.45 -48.68 66.51 Favored 'General case' 0 N--CA 1.422 -1.838 0 CA-C-O 121.705 0.764 . . . . 0.57999999999999996 108.94 178.414 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.552 HD12 ' N ' ' B' ' 20' ' ' ILE . 1.6 pp -65.94 -49.39 68.11 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 114.732 -1.122 . . . . 0.70999999999999996 111.519 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 20' ' ' ILE . . . . . 0.772 HG12 ' HA ' ' B' ' 17' ' ' LEU . 31.7 pt -59.57 -24.71 29.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 C-N-CA 119.843 -0.743 . . . . 0.75 109.974 177.763 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 21' ' ' SER . . . . . 0.484 ' HB2' ' O ' ' B' ' 18' ' ' LEU . 15.0 m -72.4 -59.64 2.63 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 115.731 -0.668 . . . . 0.55000000000000004 111.572 178.546 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 12.5 tptt -70.13 -41.55 73.76 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 115.672 -0.694 . . . . 1.3200000000000001 111.208 -179.109 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 2.2 mm -90.01 60.29 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.858 -0.61 . . . . 0.66000000000000003 111.985 -179.281 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.471 HG13 ' O ' ' B' ' 21' ' ' SER . 6.0 m -65.95 132.9 94.75 Favored Pre-proline 0 CA--C 1.534 0.348 0 CA-C-O 121.125 0.488 . . . . 1.1100000000000001 111.791 179.633 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -68.74 130.44 20.63 Favored 'Trans proline' 0 CA--C 1.533 0.451 0 C-N-CA 122.617 2.211 . . . . 1.04 112.743 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -72.27 44.14 0.67 Allowed 'Trans proline' 0 CA--C 1.539 0.75 0 C-N-CA 122.981 2.454 . . . . 1.78 113.371 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 67.7 p -95.72 63.55 2.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.413 -0.358 . . . . 2.0499999999999998 111.458 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 36.0 t . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.318 -0.848 . . . . 3.3799999999999999 111.199 -179.819 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' GLU . . . . . 0.77 ' HG3' ' H ' ' B' ' 3' ' ' MET . 4.0 tp10 . . . . . 0 N--CA 1.487 1.422 0 CA-C-O 121.287 0.565 . . . . 1.6499999999999999 111.673 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 2' ' ' LYS . . . . . 0.421 ' HG2' ' OE1' ' B' ' 1' ' ' GLU . 13.6 pttm -60.48 -17.3 44.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 114.991 -1.004 . . . . 1.74 112.075 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 3' ' ' MET . . . . . 0.77 ' H ' ' HG3' ' B' ' 1' ' ' GLU . 17.6 ptm -76.3 5.41 7.08 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 111.989 0.366 . . . . 1.22 111.989 -179.682 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 4.6 t -58.55 -39.76 81.13 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 120.766 0.317 . . . . 0.70999999999999996 111.508 179.645 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 88.8 mt -69.52 -41.94 75.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.192 0.52 . . . . 0.84999999999999998 110.51 179.002 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 6' ' ' CYS . . . . . 0.57 ' O ' ' HG ' ' B' ' 10' ' ' LEU . 13.8 m -63.8 -52.91 58.12 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-N 115.74 -0.664 . . . . 0.51000000000000001 112.017 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 7' ' ' ILE . . . . . 0.475 ' O ' ' HG ' ' B' ' 11' ' ' LEU . 15.4 tt -58.8 -35.98 58.66 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.488 0 N-CA-C 109.08 -0.711 . . . . 0.57999999999999996 109.08 179.584 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 74.0 m -61.84 -27.47 68.8 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 108.862 -0.792 . . . . 0.57999999999999996 108.862 176.1 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.593 ' O ' HD13 ' B' ' 13' ' ' LEU . 1.6 t -86.92 -34.45 7.65 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.928 0 C-N-CA 120.455 -0.498 . . . . 0.66000000000000003 111.141 178.476 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.57 ' HG ' ' O ' ' B' ' 6' ' ' CYS . 12.1 mt -63.21 -33.22 75.01 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 107.779 -1.193 . . . . 0.48999999999999999 107.779 177.774 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' B' ' 7' ' ' ILE . 4.1 pp -84.91 -34.16 22.59 Favored 'General case' 0 C--O 1.213 -0.867 0 CA-C-N 114.132 -1.395 . . . . 0.51000000000000001 110.706 178.436 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.5 -41.82 90.75 Favored 'General case' 0 CA--C 1.513 -0.451 0 N-CA-C 107.556 -1.275 . . . . 0.5 107.556 177.398 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.593 HD13 ' O ' ' B' ' 9' ' ' VAL . 11.1 mp -66.13 -48.85 69.48 Favored 'General case' 0 N--CA 1.443 -0.775 0 CA-C-N 115.524 -0.762 . . . . 0.56999999999999995 109.94 176.463 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 14' ' ' THR . . . . . 0.523 ' HA ' HD12 ' B' ' 17' ' ' LEU . 78.1 m -57.99 -53.33 59.43 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 116.619 -0.264 . . . . 0.44 111.605 178.717 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.687 ' O ' HD13 ' B' ' 19' ' ' LEU . 53.5 t -57.96 -48.39 84.21 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.184 0 O-C-N 122.159 -0.338 . . . . 0.46000000000000002 110.435 178.611 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 16' ' ' PHE . . . . . 0.565 ' O ' HG23 ' B' ' 20' ' ' ILE . 32.9 t80 -50.44 -43.18 55.01 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 109.131 -0.692 . . . . 0.67000000000000004 109.131 178.404 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.68 ' HA ' HG12 ' B' ' 20' ' ' ILE . 20.7 mt -64.51 -32.34 73.93 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 115.879 -0.601 . . . . 0.47999999999999998 110.847 177.597 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.643 HD23 HG13 ' B' ' 15' ' ' VAL . 0.1 OUTLIER -62.6 -53.04 60.52 Favored 'General case' 0 N--CA 1.418 -2.041 0 O-C-N 122.226 -0.296 . . . . 0.41999999999999998 110.359 179.218 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.722 HD13 ' H ' ' B' ' 19' ' ' LEU 0.251 0.0 OUTLIER -70.62 -33.8 71.42 Favored 'General case' 0 C--O 1.221 -0.403 0 C-N-CA 118.567 -1.253 . . . . 0.40000000000000002 113.117 -178.79 . . . . . . . . 4 4 . 1 . 011 nuclear build full ' B' B ' 20' ' ' ILE . . . . . 0.68 HG12 ' HA ' ' B' ' 17' ' ' LEU . 28.7 pt -69.79 -21.86 24.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 119.119 0.872 . . . . 0.39000000000000001 109.288 177.354 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 33.6 m -81.28 -59.1 2.76 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.33 -0.85 . . . . 0.34999999999999998 111.938 179.351 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 12.9 tptt -68.72 -41.47 79.0 Favored 'General case' 0 N--CA 1.445 -0.725 0 CA-C-N 115.455 -0.793 . . . . 1.1399999999999999 111.044 -178.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.777 HG22 ' HD2' ' B' ' 25' ' ' PRO . 1.9 mt -99.48 140.69 18.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.704 -0.68 . . . . 0.46999999999999997 111.41 -179.63 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.711 ' HB ' ' HD3' ' B' ' 25' ' ' PRO . 42.6 t -57.53 -55.1 48.18 Favored Pre-proline 0 CA--C 1.544 0.741 0 N-CA-C 113.287 0.847 . . . . 0.63 113.287 -179.131 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 25' ' ' PRO . . . . . 0.777 ' HD2' HG22 ' B' ' 23' ' ' ILE . 39.8 Cg_exo -61.26 123.39 12.73 Favored 'Trans proline' 0 C--N 1.357 0.98 0 C-N-CA 122.0 1.8 . . . . 0.57999999999999996 113.144 -179.481 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -73.85 53.4 2.8 Favored 'Trans proline' 0 CA--C 1.535 0.528 0 C-N-CA 122.968 2.445 . . . . 0.90000000000000002 113.364 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 27' ' ' THR . . . . . 0.43 ' HA ' ' HE1' ' B' ' 16' ' ' PHE . 98.3 m -161.67 -51.5 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 116.491 -0.322 . . . . 1.0700000000000001 111.078 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 75.8 m . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.48 -0.771 . . . . 1.3400000000000001 110.752 179.903 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' GLU . . . . . 0.535 ' HB3' ' HG2' ' B' ' 3' ' ' MET . 55.6 mt-10 . . . . . 0 N--CA 1.488 1.467 0 CA-C-O 120.903 0.382 . . . . 1.4099999999999999 111.935 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 10.1 ptpp? -65.43 -20.65 66.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.702 -0.681 . . . . 1.6899999999999999 111.068 179.483 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' MET . . . . . 0.535 ' HG2' ' HB3' ' B' ' 1' ' ' GLU . 19.9 ptp -75.24 8.78 2.43 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 115.847 -0.615 . . . . 1.04 112.258 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 5.1 t -59.84 -38.02 80.88 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 120.871 0.367 . . . . 0.60999999999999999 111.556 179.594 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 91.3 mt -69.41 -41.46 76.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.128 0.489 . . . . 1.01 110.573 179.228 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' CYS . . . . . 0.619 ' O ' ' HG ' ' B' ' 10' ' ' LEU . 30.0 m -64.77 -52.03 59.12 Favored 'General case' 0 C--O 1.22 -0.494 0 CA-C-N 116.059 -0.519 . . . . 0.5 112.188 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 7' ' ' ILE . . . . . 0.469 ' O ' ' HG ' ' B' ' 11' ' ' LEU . 8.0 tp -58.47 -36.36 58.71 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.455 0 N-CA-C 108.917 -0.771 . . . . 0.56000000000000005 108.917 179.609 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 69.0 m -62.14 -27.98 69.32 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 109.1 -0.704 . . . . 0.59999999999999998 109.1 176.157 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 1.9 t -87.54 -32.91 6.39 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.822 0 O-C-N 121.881 -0.512 . . . . 0.63 111.538 178.625 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.619 ' HG ' ' O ' ' B' ' 6' ' ' CYS . 14.2 mt -64.65 -33.93 77.09 Favored 'General case' 0 CA--C 1.508 -0.653 0 N-CA-C 107.493 -1.299 . . . . 0.47999999999999998 107.493 177.643 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.824 ' HA ' HG22 ' B' ' 14' ' ' THR . 4.1 pp -83.24 -35.44 25.36 Favored 'General case' 0 N--CA 1.441 -0.894 0 CA-C-N 114.097 -1.41 . . . . 0.58999999999999997 110.509 177.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 12' ' ' ALA . . . . . 0.41 ' N ' HD12 ' B' ' 11' ' ' LEU . . . -59.02 -37.74 77.64 Favored 'General case' 0 CA--C 1.515 -0.398 0 N-CA-C 107.617 -1.253 . . . . 0.56000000000000005 107.617 177.301 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.411 ' O ' ' HG ' ' B' ' 17' ' ' LEU . 30.6 mt -67.8 -53.63 25.57 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.277 -0.874 . . . . 0.63 110.119 176.86 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 14' ' ' THR . . . . . 0.824 HG22 ' HA ' ' B' ' 11' ' ' LEU . 2.1 t -60.29 -45.21 94.14 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 116.587 -0.279 . . . . 0.56000000000000005 111.707 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.604 ' HA ' HD23 ' B' ' 18' ' ' LEU . 74.7 t -63.07 -44.81 99.75 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.169 0 O-C-N 121.723 -0.61 . . . . 0.60999999999999999 109.978 178.48 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 16' ' ' PHE . . . . . 0.509 ' O ' HG23 ' B' ' 20' ' ' ILE . 51.7 t80 -54.33 -38.68 66.28 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 108.495 -0.928 . . . . 0.71999999999999997 108.495 177.764 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.69 HD12 ' HA ' ' B' ' 14' ' ' THR . 22.7 mt -68.85 -35.33 76.8 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.622 -0.717 . . . . 0.59999999999999998 111.052 177.687 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.604 HD23 ' HA ' ' B' ' 15' ' ' VAL . 0.2 OUTLIER -64.79 -48.19 75.38 Favored 'General case' 0 N--CA 1.425 -1.703 0 CA-C-O 121.598 0.713 . . . . 0.65000000000000002 110.141 179.829 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.541 HD12 ' N ' ' B' ' 20' ' ' ILE . 1.5 pp -66.28 -49.81 65.83 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 114.921 -1.036 . . . . 0.52000000000000002 111.65 -179.253 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 20' ' ' ILE . . . . . 0.541 ' N ' HD12 ' B' ' 19' ' ' LEU . 32.7 pt -59.78 -24.65 29.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 C-N-CA 120.2 -0.6 . . . . 0.46999999999999997 109.827 177.537 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 21' ' ' SER . . . . . 0.518 ' HB2' ' O ' ' B' ' 18' ' ' LEU . 15.9 m -71.06 -61.52 1.73 Allowed 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.595 -0.729 . . . . 0.51000000000000001 111.235 178.44 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 5.5 tptp -68.12 -43.02 79.31 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 115.699 -0.682 . . . . 1.2 111.332 -179.387 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.411 HG13 ' O ' ' B' ' 19' ' ' LEU . 4.6 mt -86.78 63.94 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 112.604 0.594 . . . . 0.66000000000000003 112.604 -178.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.681 ' HB ' ' HD3' ' B' ' 25' ' ' PRO . 59.3 t -65.54 -53.22 39.12 Favored Pre-proline 0 CA--C 1.542 0.655 0 CA-C-N 116.308 -0.405 . . . . 1.0 111.151 178.879 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 25' ' ' PRO . . . . . 0.681 ' HD3' ' HB ' ' B' ' 24' ' ' VAL . 6.1 Cg_exo -79.26 148.07 20.98 Favored 'Trans proline' 0 C--N 1.355 0.918 0 C-N-CA 122.598 2.198 . . . . 1.0 112.138 179.336 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -58.84 -27.81 85.26 Favored 'Trans proline' 0 CA--C 1.535 0.553 0 C-N-CA 122.852 2.368 . . . . 1.4199999999999999 113.194 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 34.7 p -70.23 -58.96 3.19 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 112.262 0.468 . . . . 1.6599999999999999 112.262 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 69.1 m . . . . . 0 C--O 1.251 1.16 0 CA-C-O 117.942 -1.028 . . . . 1.3799999999999999 110.85 -179.917 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' GLU . . . . . 0.661 ' HB3' ' HB ' ' B' ' 4' ' ' THR . 0.7 OUTLIER . . . . . 0 N--CA 1.488 1.443 0 CA-C-O 120.956 0.408 . . . . 2.23 111.446 . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -79.11 -24.59 43.29 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.657 -0.701 . . . . 2.3100000000000001 111.402 179.559 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 11.5 ptt? -125.12 25.86 7.11 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 112.286 0.476 . . . . 1.49 112.286 -179.471 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 4' ' ' THR . . . . . 0.661 ' HB ' ' HB3' ' B' ' 1' ' ' GLU . 3.4 t -52.68 -41.53 63.94 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 112.07 0.396 . . . . 1.55 112.07 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.811 HD23 ' H ' ' B' ' 5' ' ' LEU . 1.3 pt? -68.33 -43.01 78.49 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-O 120.991 0.424 . . . . 1.54 110.85 179.013 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 6' ' ' CYS . . . . . 0.407 ' N ' ' HG ' ' B' ' 5' ' ' LEU . 57.1 m -67.01 -47.74 70.52 Favored 'General case' 0 C--O 1.22 -0.48 0 N-CA-C 112.114 0.413 . . . . 1.01 112.114 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 7' ' ' ILE . . . . . 0.585 ' HA ' ' HG ' ' B' ' 10' ' ' LEU . 0.1 OUTLIER -60.44 -37.42 74.52 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.297 0 N-CA-C 108.197 -1.038 . . . . 0.87 108.197 179.568 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 8' ' ' SER . . . . . 0.4 ' HA ' HD21 ' B' ' 11' ' ' LEU . 34.3 t -63.58 -26.93 68.91 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 109.372 -0.603 . . . . 1.1899999999999999 109.372 175.874 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 2.1 t -87.89 -33.77 6.83 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.015 0 C-N-CA 120.444 -0.502 . . . . 1.3400000000000001 111.883 179.518 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.585 ' HG ' ' HA ' ' B' ' 7' ' ' ILE . 4.6 pp -69.04 -28.95 67.01 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 107.702 -1.221 . . . . 0.80000000000000004 107.702 177.762 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' B' ' 7' ' ' ILE . 4.2 pp -83.48 -34.85 25.28 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 115.547 -0.751 . . . . 0.81999999999999995 109.497 176.566 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 12' ' ' ALA . . . . . 0.449 ' N ' HD12 ' B' ' 11' ' ' LEU . . . -60.07 -39.38 85.86 Favored 'General case' 0 CA--C 1.512 -0.498 0 N-CA-C 107.713 -1.218 . . . . 1.0700000000000001 107.713 177.472 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.42 ' O ' ' HG ' ' B' ' 17' ' ' LEU . 30.2 mt -66.21 -50.95 62.08 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.723 -0.671 . . . . 1.5900000000000001 109.343 176.523 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 14' ' ' THR . . . . . 0.474 ' HA ' HD12 ' B' ' 17' ' ' LEU . 92.6 m -56.17 -54.61 43.12 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.923 -0.58 . . . . 0.91000000000000003 111.739 178.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.625 ' HA ' HD23 ' B' ' 18' ' ' LEU . 89.3 t -59.21 -44.22 91.42 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.162 0 O-C-N 122.075 -0.391 . . . . 0.83999999999999997 110.757 178.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 16' ' ' PHE . . . . . 0.517 ' O ' HG23 ' B' ' 20' ' ' ILE . 51.1 t80 -53.52 -40.38 65.4 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 108.853 -0.795 . . . . 1.96 108.853 178.126 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.548 ' HA ' HG12 ' B' ' 20' ' ' ILE . 21.8 mt -68.8 -35.11 76.6 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.888 -0.596 . . . . 1.6200000000000001 110.985 177.742 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.625 HD23 ' HA ' ' B' ' 15' ' ' VAL . 0.1 OUTLIER -65.47 -48.06 73.95 Favored 'General case' 0 N--CA 1.423 -1.799 0 CA-C-O 121.536 0.684 . . . . 0.92000000000000004 109.965 179.872 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.571 HD12 ' N ' ' B' ' 20' ' ' ILE . 2.0 pp -66.24 -48.44 70.53 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 114.841 -1.072 . . . . 1.22 111.714 -179.229 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 20' ' ' ILE . . . . . 0.571 ' N ' HD12 ' B' ' 19' ' ' LEU . 33.4 pt -61.21 -24.61 33.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 C-N-CA 120.115 -0.634 . . . . 1.6100000000000001 109.765 177.673 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 21' ' ' SER . . . . . 0.467 ' HB2' ' O ' ' B' ' 18' ' ' LEU . 16.5 m -71.95 -62.65 1.35 Allowed 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 115.564 -0.744 . . . . 1.3799999999999999 111.557 178.821 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 5.2 tptp -69.71 -40.82 76.05 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 115.609 -0.723 . . . . 1.6299999999999999 111.347 -179.265 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 2.3 mt -95.66 65.5 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.063 -0.517 . . . . 1.1100000000000001 112.205 -179.152 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.428 ' HA ' ' HD3' ' B' ' 25' ' ' PRO . 18.6 m -59.87 135.36 89.99 Favored Pre-proline 0 CA--C 1.537 0.479 0 CA-C-N 115.923 -0.58 . . . . 1.3400000000000001 111.738 179.587 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 25' ' ' PRO . . . . . 0.438 ' HA ' ' HD3' ' B' ' 26' ' ' PRO . 8.7 Cg_exo -67.41 138.13 45.3 Favored 'Trans proline' 0 CA--C 1.531 0.346 0 C-N-CA 122.42 2.08 . . . . 1.8899999999999999 113.112 -179.559 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 26' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' B' ' 25' ' ' PRO . 32.4 Cg_exo -61.98 87.48 0.1 Allowed 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 123.017 2.478 . . . . 2.52 112.144 179.29 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 70.5 p 54.86 53.34 10.58 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.036 0.534 . . . . 4.2199999999999998 111.84 -179.021 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 75.4 m . . . . . 0 C--O 1.25 1.122 0 CA-C-O 118.307 -0.854 . . . . 4.2400000000000002 110.851 179.873 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.489 1.511 0 CA-C-O 120.996 0.427 . . . . 1.3200000000000001 111.91 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 57.6 pttt -67.26 -24.15 65.76 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 115.857 -0.611 . . . . 1.3700000000000001 111.152 179.508 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 18.0 ptm -82.07 19.74 1.11 Allowed 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 112.522 0.564 . . . . 0.77000000000000002 112.522 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 3.9 t -54.88 -41.04 70.37 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 112.699 0.629 . . . . 0.55000000000000004 112.699 -179.468 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.775 HD23 ' H ' ' B' ' 5' ' ' LEU . 1.0 OUTLIER -68.78 -41.36 78.9 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 121.037 0.446 . . . . 0.70999999999999996 111.198 179.423 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 6' ' ' CYS . . . . . 0.6 ' O ' ' HG ' ' B' ' 10' ' ' LEU . 32.7 m -64.29 -51.41 63.65 Favored 'General case' 0 C--O 1.22 -0.477 0 N-CA-C 112.286 0.476 . . . . 0.46000000000000002 112.286 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 7' ' ' ILE . . . . . 0.438 ' O ' ' HG ' ' B' ' 11' ' ' LEU . 15.0 tt -59.1 -35.48 57.55 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.513 0 N-CA-C 108.985 -0.746 . . . . 0.46999999999999997 108.985 179.641 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 66.4 m -62.4 -27.64 69.23 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 108.877 -0.786 . . . . 0.40999999999999998 108.877 176.039 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 1.8 t -87.61 -32.16 6.11 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.803 0 O-C-N 121.95 -0.469 . . . . 0.53000000000000003 111.35 178.484 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.6 ' HG ' ' O ' ' B' ' 6' ' ' CYS . 13.3 mt -64.69 -34.28 77.93 Favored 'General case' 0 CA--C 1.51 -0.592 0 N-CA-C 107.426 -1.324 . . . . 0.52000000000000002 107.426 177.525 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.438 ' HG ' ' O ' ' B' ' 7' ' ' ILE . 4.0 pp -83.36 -34.61 25.56 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 114.25 -1.341 . . . . 0.40000000000000002 110.361 178.088 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.97 -38.24 81.95 Favored 'General case' 0 CA--C 1.514 -0.411 0 N-CA-C 107.702 -1.221 . . . . 0.40000000000000002 107.702 177.279 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.408 ' O ' ' HG ' ' B' ' 17' ' ' LEU . 29.3 mt -67.3 -50.02 61.9 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.455 -0.793 . . . . 0.67000000000000004 109.211 176.42 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 14' ' ' THR . . . . . 0.447 ' HA ' HD12 ' B' ' 17' ' ' LEU . 96.2 m -56.63 -54.44 46.0 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.94 -0.573 . . . . 0.55000000000000004 111.721 178.784 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.669 ' HA ' HD23 ' B' ' 18' ' ' LEU . 87.1 t -58.68 -44.76 90.54 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.168 0 O-C-N 122.079 -0.388 . . . . 0.47999999999999998 110.74 178.798 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 16' ' ' PHE . . . . . 0.523 ' O ' HG23 ' B' ' 20' ' ' ILE . 45.7 t80 -53.42 -40.86 65.48 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 108.967 -0.753 . . . . 0.83999999999999997 108.967 178.299 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.563 ' HA ' HG12 ' B' ' 20' ' ' ILE . 21.1 mt -68.69 -34.85 76.36 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.876 -0.602 . . . . 0.76000000000000001 111.067 177.789 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.669 HD23 ' HA ' ' B' ' 15' ' ' VAL . 0.2 OUTLIER -64.89 -48.29 74.77 Favored 'General case' 0 N--CA 1.423 -1.794 0 CA-C-O 121.61 0.719 . . . . 0.55000000000000004 109.936 179.731 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.593 ' O ' HG12 ' B' ' 23' ' ' ILE . 1.4 pp -65.99 -52.43 49.48 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 115.06 -0.973 . . . . 0.46000000000000002 111.555 -179.555 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 20' ' ' ILE . . . . . 0.564 ' N ' HD12 ' B' ' 19' ' ' LEU . 32.0 pt -55.7 -25.5 18.43 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-N 118.703 0.683 . . . . 0.62 109.994 177.822 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 21' ' ' SER . . . . . 0.464 ' HB2' ' O ' ' B' ' 18' ' ' LEU . 31.1 m -73.68 -55.91 5.67 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.849 -0.614 . . . . 0.59999999999999998 110.824 177.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 22' ' ' LYS . . . . . 0.642 ' HD3' HG12 ' B' ' 23' ' ' ILE . 0.1 OUTLIER -63.7 -35.87 81.99 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-N 115.512 -0.767 . . . . 0.75 110.969 -179.603 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.642 HG12 ' HD3' ' B' ' 22' ' ' LYS . 10.0 mm -66.89 125.1 23.55 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.213 0 C-N-CA 120.844 -0.343 . . . . 0.63 110.994 178.125 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 5.7 p -64.79 125.67 89.39 Favored Pre-proline 0 CA--C 1.539 0.545 0 CA-C-O 120.92 0.39 . . . . 0.85999999999999999 111.028 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' PRO . . . . . 0.442 ' HA ' ' HD3' ' B' ' 26' ' ' PRO . 9.8 Cg_endo -64.11 131.3 30.04 Favored 'Trans proline' 0 CA--C 1.534 0.492 0 C-N-CA 122.015 1.81 . . . . 1.1499999999999999 112.519 -179.661 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 26' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' B' ' 25' ' ' PRO . 39.4 Cg_exo -63.24 -38.01 47.13 Favored 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 123.076 2.517 . . . . 1.71 112.972 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 95.0 m -162.67 -45.39 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 120.7 0.286 . . . . 2.1200000000000001 111.414 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 58.4 p . . . . . 0 C--O 1.245 0.838 0 CA-C-O 118.286 -0.864 . . . . 2.7799999999999998 111.309 -179.435 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 . . . . . 0 N--CA 1.49 1.548 0 CA-C-O 121.355 0.598 . . . . 1.78 111.617 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 60.9 pttt -78.24 -26.1 47.16 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.056 -0.975 . . . . 2.75 112.076 -179.659 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 15.1 ptp -103.15 16.02 27.72 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 112.82 0.674 . . . . 1.5 112.82 -178.368 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 6.0 t -57.22 -38.39 73.67 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 111.923 0.342 . . . . 0.93000000000000005 111.923 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 89.1 mt -68.49 -44.42 74.78 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-O 121.24 0.543 . . . . 0.91000000000000003 110.887 179.367 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 6' ' ' CYS . . . . . 0.618 ' O ' ' HG ' ' B' ' 10' ' ' LEU . 35.1 m -64.31 -51.31 64.09 Favored 'General case' 0 C--O 1.22 -0.494 0 N-CA-C 112.259 0.466 . . . . 0.55000000000000004 112.259 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 7' ' ' ILE . . . . . 0.463 ' O ' ' HG ' ' B' ' 11' ' ' LEU . 8.7 tp -58.12 -37.85 64.42 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.426 0 N-CA-C 109.413 -0.588 . . . . 0.67000000000000004 109.413 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 9.0 p -62.78 -26.18 68.59 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 108.939 -0.763 . . . . 0.64000000000000001 108.939 176.715 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 1.7 t -87.71 -33.02 6.39 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.829 0 C-N-CA 120.463 -0.495 . . . . 0.59999999999999998 111.525 178.633 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.618 ' HG ' ' O ' ' B' ' 6' ' ' CYS . 14.3 mt -64.85 -34.25 77.93 Favored 'General case' 0 CA--C 1.508 -0.654 0 N-CA-C 107.432 -1.321 . . . . 0.47999999999999998 107.432 177.666 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' B' ' 7' ' ' ILE . 4.1 pp -83.35 -34.32 25.65 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 114.258 -1.337 . . . . 0.64000000000000001 110.406 177.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.04 -38.62 83.3 Favored 'General case' 0 CA--C 1.513 -0.469 0 N-CA-C 107.637 -1.246 . . . . 0.58999999999999997 107.637 177.298 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.403 ' O ' ' HG ' ' B' ' 17' ' ' LEU . 27.8 mt -67.32 -50.41 60.23 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.518 -0.765 . . . . 0.65000000000000002 109.074 176.53 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 14' ' ' THR . . . . . 0.418 ' HB ' ' HA ' ' B' ' 11' ' ' LEU . 94.2 m -55.56 -55.02 36.82 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 115.79 -0.641 . . . . 1.02 111.65 178.763 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.684 ' HA ' HD23 ' B' ' 18' ' ' LEU . 91.8 t -59.22 -44.89 92.98 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.266 0 O-C-N 122.093 -0.379 . . . . 0.73999999999999999 110.767 178.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 16' ' ' PHE . . . . . 0.479 ' CD1' HD11 ' B' ' 19' ' ' LEU . 46.7 t80 -53.71 -37.76 63.61 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.426 0.632 . . . . 0.98999999999999999 109.419 178.264 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.599 ' HA ' HG22 ' B' ' 20' ' ' ILE . 21.1 mt -72.27 -33.68 67.64 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.009 -0.541 . . . . 0.71999999999999997 110.977 177.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.684 HD23 ' HA ' ' B' ' 15' ' ' VAL . 0.2 OUTLIER -66.07 -48.72 70.06 Favored 'General case' 0 N--CA 1.426 -1.635 0 CA-C-O 121.776 0.798 . . . . 0.73999999999999999 109.768 179.682 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.592 HD12 ' N ' ' B' ' 20' ' ' ILE . 2.6 pp -67.68 -44.55 77.53 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 114.639 -1.164 . . . . 0.73999999999999999 110.943 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 20' ' ' ILE . . . . . 0.599 HG22 ' HA ' ' B' ' 17' ' ' LEU . 3.7 tp -64.37 -21.44 29.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 121.373 0.606 . . . . 0.89000000000000001 109.977 178.109 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 21' ' ' SER . . . . . 0.569 ' HB2' ' O ' ' B' ' 17' ' ' LEU . 8.2 t -77.15 -59.07 2.93 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.461 -0.791 . . . . 0.76000000000000001 111.52 179.543 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 4.7 mptp? -76.02 -39.98 54.51 Favored 'General case' 0 N--CA 1.439 -1.025 0 CA-C-N 115.486 -0.779 . . . . 2.1099999999999999 111.645 -178.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 2.0 mt -96.69 64.65 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 112.364 0.505 . . . . 0.71999999999999997 112.364 -178.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.616 ' HB ' ' HD3' ' B' ' 25' ' ' PRO . 52.3 t -66.73 -51.4 39.86 Favored Pre-proline 0 CA--C 1.544 0.745 0 N-CA-C 112.348 0.499 . . . . 1.01 112.348 179.705 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 25' ' ' PRO . . . . . 0.616 ' HD3' ' HB ' ' B' ' 24' ' ' VAL . 9.8 Cg_endo -78.98 136.76 13.33 Favored 'Trans proline' 0 C--N 1.355 0.903 0 C-N-CA 121.583 1.522 . . . . 1.0900000000000001 112.282 179.54 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -72.74 49.21 1.48 Allowed 'Trans proline' 0 CA--C 1.538 0.687 0 C-N-CA 122.717 2.278 . . . . 1.1399999999999999 113.007 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 95.7 m -162.54 126.78 3.1 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.127 -0.488 . . . . 2.4900000000000002 110.229 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 74.2 m . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.471 -0.776 . . . . 3.8399999999999999 110.612 -179.925 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 12.1 pm0 . . . . . 0 N--CA 1.489 1.489 0 CA-C-O 121.085 0.469 . . . . 0.98999999999999999 111.31 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 58.9 pttt -72.03 -18.37 61.96 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.32 0.581 . . . . 1.23 110.691 179.638 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 15.4 ptm -89.63 22.36 3.07 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 113.666 0.987 . . . . 0.76000000000000001 113.666 -178.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 88.8 m -54.62 -46.97 73.95 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 112.087 0.403 . . . . 0.73999999999999999 112.087 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 94.0 mt -59.26 -42.55 91.42 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.184 0.516 . . . . 0.89000000000000001 111.087 179.673 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 6' ' ' CYS . . . . . 0.605 ' O ' ' HG ' ' B' ' 10' ' ' LEU . 31.7 m -65.46 -50.85 63.82 Favored 'General case' 0 C--O 1.219 -0.529 0 CA-C-N 116.154 -0.475 . . . . 0.44 111.717 179.659 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 7' ' ' ILE . . . . . 0.429 ' O ' ' HG ' ' B' ' 11' ' ' LEU . 0.4 OUTLIER -58.65 -36.04 58.16 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 N-CA-C 108.428 -0.953 . . . . 0.70999999999999996 108.428 179.51 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 47.6 t -61.19 -28.68 69.31 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 109.097 -0.705 . . . . 0.44 109.097 176.079 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 1.5 t -88.26 -31.52 5.71 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.825 0 C-N-CA 120.404 -0.518 . . . . 0.52000000000000002 111.397 178.793 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.605 ' HG ' ' O ' ' B' ' 6' ' ' CYS . 14.4 mt -64.39 -34.46 78.22 Favored 'General case' 0 CA--C 1.509 -0.616 0 N-CA-C 107.438 -1.319 . . . . 0.53000000000000003 107.438 177.578 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.922 ' HA ' HG22 ' B' ' 14' ' ' THR . 3.9 pp -82.56 -36.44 26.27 Favored 'General case' 0 N--CA 1.441 -0.921 0 CA-C-N 113.96 -1.473 . . . . 0.39000000000000001 110.361 178.043 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.7 -37.43 76.09 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 107.784 -1.191 . . . . 0.34000000000000002 107.784 177.396 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 33.7 mt -67.54 -55.41 13.6 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.573 -0.74 . . . . 0.63 110.242 176.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 14' ' ' THR . . . . . 0.922 HG22 ' HA ' ' B' ' 11' ' ' LEU . 5.8 t -59.23 -45.47 91.05 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 111.823 0.305 . . . . 0.52000000000000002 111.823 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.598 ' HA ' HD23 ' B' ' 18' ' ' LEU . 76.1 t -62.08 -45.5 98.59 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.064 0 O-C-N 121.642 -0.661 . . . . 0.40000000000000002 110.096 178.227 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 16' ' ' PHE . . . . . 0.478 ' CD1' HD11 ' B' ' 19' ' ' LEU . 49.9 t80 -54.82 -35.62 64.12 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 108.808 -0.812 . . . . 1.05 108.808 177.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.63 HD12 ' HA ' ' B' ' 14' ' ' THR . 21.5 mt -72.95 -33.62 66.02 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.975 -0.557 . . . . 0.67000000000000004 111.056 177.858 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.598 HD23 ' HA ' ' B' ' 15' ' ' VAL . 0.2 OUTLIER -65.56 -49.69 67.94 Favored 'General case' 0 N--CA 1.424 -1.76 0 CA-C-O 121.636 0.731 . . . . 0.46999999999999997 109.522 179.711 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.678 ' O ' HG12 ' B' ' 23' ' ' ILE . 2.1 pp -67.26 -48.83 66.55 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 114.917 -1.038 . . . . 0.46999999999999997 110.987 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 20' ' ' ILE . . . . . 0.622 ' N ' HD12 ' B' ' 19' ' ' LEU . 4.6 tp -54.82 -27.74 19.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 109.705 -0.48 . . . . 0.60999999999999999 109.705 177.874 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 21' ' ' SER . . . . . 0.45 ' HB2' ' O ' ' B' ' 18' ' ' LEU . 43.7 m -74.64 -51.92 13.11 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 115.753 -0.658 . . . . 0.46999999999999997 110.477 177.612 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 14.3 tptt -58.61 -39.71 81.22 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 115.16 -0.927 . . . . 1.02 110.09 179.625 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.678 HG12 ' O ' ' B' ' 19' ' ' LEU . 9.6 mm -65.52 -52.22 53.9 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 CA-C-N 115.841 -0.618 . . . . 0.59999999999999998 112.106 179.555 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.404 ' HA ' ' HD3' ' B' ' 25' ' ' PRO . 9.3 m -136.27 130.26 18.16 Favored Pre-proline 0 N--CA 1.463 0.218 0 CA-C-O 121.087 0.47 . . . . 0.63 111.307 179.804 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 25' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' B' ' 24' ' ' VAL . 9.2 Cg_exo -72.39 117.71 5.26 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.606 2.204 . . . . 0.75 112.748 -179.496 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 8.7 Cg_endo -66.11 -36.34 29.82 Favored 'Trans proline' 0 N--CA 1.459 -0.53 0 C-N-CA 121.896 1.73 . . . . 1.0600000000000001 111.496 179.281 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 91.0 m -166.5 119.64 1.05 Allowed 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.96 -0.564 . . . . 1.6599999999999999 110.49 178.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 49.3 m . . . . . 0 C--O 1.25 1.113 0 CA-C-O 118.288 -0.863 . . . . 2.96 112.074 179.909 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 1' ' ' GLU . . . . . 0.645 ' CB ' ' HB ' ' B' ' 4' ' ' THR . 94.5 mt-10 . . . . . 0 N--CA 1.488 1.455 0 CA-C-O 121.126 0.488 . . . . 1.03 111.747 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 60.3 pttt -77.04 -30.57 55.72 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.77 -0.65 . . . . 1.45 111.511 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 18.1 ptm -108.93 20.7 18.13 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.402 -0.363 . . . . 1.04 111.916 -179.375 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 4' ' ' THR . . . . . 0.645 ' HB ' ' CB ' ' B' ' 1' ' ' GLU . 7.1 t -57.68 -35.44 70.6 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 112.347 0.499 . . . . 0.55000000000000004 112.347 -179.345 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 95.1 mt -70.52 -44.4 67.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.953 0.406 . . . . 0.70999999999999996 111.251 179.591 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 6' ' ' CYS . . . . . . . . . . . . . 39.8 m -64.08 -49.02 73.9 Favored 'General case' 0 C--O 1.221 -0.4 0 N-CA-C 112.467 0.543 . . . . 0.56000000000000005 112.467 -179.516 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 7' ' ' ILE . . . . . 0.567 HD12 HD11 ' B' ' 10' ' ' LEU . 5.3 tp -58.06 -41.7 81.12 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.498 0 N-CA-C 108.562 -0.903 . . . . 0.62 108.562 179.488 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 66.5 m -61.79 -27.07 68.49 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.839 -0.619 . . . . 0.40999999999999998 109.834 176.541 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 2.1 t -88.47 -34.88 7.35 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.901 0 O-C-N 121.851 -0.531 . . . . 0.56000000000000005 112.409 179.695 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.567 HD11 HD12 ' B' ' 7' ' ' ILE . 4.4 pp -68.65 -29.06 67.46 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 107.682 -1.229 . . . . 0.53000000000000003 107.682 178.042 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' B' ' 7' ' ' ILE . 4.3 pp -83.65 -34.85 24.93 Favored 'General case' 0 N--CA 1.443 -0.805 0 CA-C-N 115.381 -0.827 . . . . 0.37 109.788 176.69 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 12' ' ' ALA . . . . . 0.462 ' N ' HD12 ' B' ' 11' ' ' LEU . . . -59.94 -39.14 84.53 Favored 'General case' 0 CA--C 1.512 -0.503 0 N-CA-C 107.725 -1.213 . . . . 0.44 107.725 177.399 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.414 ' O ' ' HG ' ' B' ' 17' ' ' LEU . 30.0 mt -66.25 -49.75 66.11 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.477 -0.783 . . . . 0.66000000000000003 109.32 176.439 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 14' ' ' THR . . . . . 0.437 ' HA ' HD12 ' B' ' 17' ' ' LEU . 98.3 m -57.12 -54.7 43.79 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.912 -0.586 . . . . 0.40000000000000002 111.829 178.856 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.657 ' HA ' HD23 ' B' ' 18' ' ' LEU . 83.6 t -58.49 -44.55 89.26 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.169 0 O-C-N 122.104 -0.372 . . . . 0.45000000000000001 110.846 178.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 16' ' ' PHE . . . . . 0.489 ' O ' HG23 ' B' ' 20' ' ' ILE . 48.7 t80 -53.24 -41.25 65.24 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.095 -0.706 . . . . 0.84999999999999998 109.095 178.194 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.615 ' O ' ' HB2' ' B' ' 21' ' ' SER . 22.6 mt -68.15 -34.48 76.42 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.89 -0.596 . . . . 0.53000000000000003 111.176 177.833 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.657 HD23 ' HA ' ' B' ' 15' ' ' VAL . 0.2 OUTLIER -65.49 -48.12 73.69 Favored 'General case' 0 N--CA 1.423 -1.777 0 CA-C-O 121.625 0.726 . . . . 0.46999999999999997 110.046 179.819 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.549 HD12 HG23 ' B' ' 20' ' ' ILE . 1.6 pp -66.38 -49.54 66.5 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 114.899 -1.046 . . . . 0.53000000000000003 111.649 -179.327 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 20' ' ' ILE . . . . . 0.551 HG12 ' HA ' ' B' ' 17' ' ' LEU . 32.1 pt -61.81 -23.2 30.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 C-N-CA 120.215 -0.594 . . . . 0.56000000000000005 109.968 177.667 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 21' ' ' SER . . . . . 0.615 ' HB2' ' O ' ' B' ' 17' ' ' LEU . 7.9 t -71.32 -61.83 1.63 Allowed 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.578 -0.737 . . . . 0.41999999999999998 111.076 179.426 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 1.1 tptm -72.01 -41.25 67.81 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 115.221 -0.899 . . . . 0.91000000000000003 111.306 -179.403 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 2.4 mt -93.97 64.5 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 112.422 0.527 . . . . 0.63 112.422 -178.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 15.8 m -67.3 137.27 93.84 Favored Pre-proline 0 CA--C 1.534 0.327 0 CA-C-O 121.109 0.48 . . . . 0.66000000000000003 111.405 179.272 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -73.03 129.92 14.8 Favored 'Trans proline' 0 CA--C 1.535 0.527 0 C-N-CA 122.022 1.815 . . . . 0.87 112.687 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -69.08 48.07 0.49 Allowed 'Trans proline' 0 N--CA 1.48 0.708 0 C-N-CA 123.661 2.907 . . . . 1.45 113.691 -179.665 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 92.4 m -163.14 -52.86 0.04 OUTLIER 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.187 -0.461 . . . . 1.3300000000000001 109.933 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 65.0 m . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.325 -0.845 . . . . 2.02 112.218 179.526 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 . . . . . 0 N--CA 1.487 1.422 0 CA-C-O 120.835 0.35 . . . . 1.3500000000000001 111.043 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 56.2 pttt -62.41 -18.95 62.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.483 0.659 . . . . 1.8 110.284 178.561 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 19.8 ptp -105.6 10.06 33.11 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 115.201 -0.909 . . . . 1.1299999999999999 112.272 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 20.7 m -58.18 -46.9 84.94 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-O 120.887 0.375 . . . . 0.80000000000000004 111.739 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.785 HD23 ' H ' ' B' ' 5' ' ' LEU . 0.9 OUTLIER -66.53 -38.13 86.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.969 0.414 . . . . 0.96999999999999997 110.97 179.133 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 6' ' ' CYS . . . . . 0.595 ' O ' ' HG ' ' B' ' 10' ' ' LEU . 30.8 m -65.57 -52.6 51.01 Favored 'General case' 0 C--O 1.22 -0.484 0 N-CA-C 112.277 0.473 . . . . 0.68000000000000005 112.277 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 7' ' ' ILE . . . . . 0.425 ' O ' ' HG ' ' B' ' 11' ' ' LEU . 15.3 tt -59.49 -35.52 59.38 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.524 0 N-CA-C 108.925 -0.769 . . . . 0.64000000000000001 108.925 179.586 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 43.7 t -61.95 -28.22 69.39 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 108.792 -0.818 . . . . 0.60999999999999999 108.792 175.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 1.5 t -87.13 -31.9 6.17 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.747 0 C-N-CA 120.474 -0.49 . . . . 0.68999999999999995 111.422 178.649 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.595 ' HG ' ' O ' ' B' ' 6' ' ' CYS . 14.3 mt -64.83 -34.49 78.5 Favored 'General case' 0 CA--C 1.509 -0.61 0 N-CA-C 107.496 -1.298 . . . . 0.65000000000000002 107.496 177.659 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' B' ' 7' ' ' ILE . 4.0 pp -83.01 -34.48 26.29 Favored 'General case' 0 C--O 1.213 -0.824 0 CA-C-N 114.06 -1.427 . . . . 0.53000000000000003 110.235 178.095 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.02 -38.66 83.33 Favored 'General case' 0 CA--C 1.515 -0.393 0 N-CA-C 107.756 -1.201 . . . . 0.44 107.756 177.253 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 29.9 mt -66.64 -50.48 62.81 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.346 -0.843 . . . . 0.75 109.441 176.531 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 89.8 m -57.49 -54.32 48.17 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.881 -0.6 . . . . 0.71999999999999997 111.66 178.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.678 HG13 HD23 ' B' ' 18' ' ' LEU . 54.6 t -56.71 -47.97 81.63 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.153 0 O-C-N 122.21 -0.306 . . . . 0.52000000000000002 110.542 178.656 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 16' ' ' PHE . . . . . 0.488 ' O ' HG12 ' B' ' 20' ' ' ILE . 28.0 t80 -51.93 -42.85 63.14 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.281 -0.637 . . . . 0.82999999999999996 109.281 178.49 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 24.1 mt -68.01 -26.68 66.02 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 116.126 -0.488 . . . . 0.71999999999999997 111.064 177.596 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.678 HD23 HG13 ' B' ' 15' ' ' VAL . 0.1 OUTLIER -64.61 -53.97 39.31 Favored 'General case' 0 N--CA 1.416 -2.152 0 N-CA-C 109.223 -0.658 . . . . 0.65000000000000002 109.223 179.053 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.848 ' O ' HG13 ' B' ' 23' ' ' ILE . 0.0 OUTLIER -70.14 -36.07 74.5 Favored 'General case' 0 C--O 1.217 -0.616 0 C-N-CA 118.124 -1.43 . . . . 0.46999999999999997 111.285 179.786 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 20' ' ' ILE . . . . . 0.608 ' N ' HD22 ' B' ' 19' ' ' LEU . 13.6 mm -55.81 -33.37 34.32 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 N-CA-C 108.833 -0.802 . . . . 0.56999999999999995 108.833 176.218 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 21' ' ' SER . . . . . 0.402 ' HB2' ' O ' ' B' ' 18' ' ' LEU . 73.2 m -72.93 -49.06 31.76 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 115.003 -0.999 . . . . 0.68000000000000005 110.466 177.751 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 6.9 tptp -56.9 -39.36 74.26 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 115.006 -0.997 . . . . 1.27 110.08 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.848 HG13 ' O ' ' B' ' 19' ' ' LEU . 33.9 mt -68.79 -47.57 75.57 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 CA-C-N 115.751 -0.659 . . . . 0.67000000000000004 112.013 179.27 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.478 ' HA ' ' HD3' ' B' ' 25' ' ' PRO . 6.5 p -158.0 128.54 3.54 Favored Pre-proline 0 CA--C 1.536 0.434 0 CA-C-O 121.248 0.547 . . . . 1.1299999999999999 111.858 -179.517 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 25' ' ' PRO . . . . . 0.478 ' HD3' ' HA ' ' B' ' 24' ' ' VAL . 7.4 Cg_exo -73.88 119.36 5.84 Favored 'Trans proline' 0 CA--C 1.532 0.381 0 C-N-CA 122.616 2.211 . . . . 1.1799999999999999 112.719 -179.766 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 26' ' ' PRO . . . . . 0.467 ' HD3' ' HA ' ' B' ' 25' ' ' PRO . 33.4 Cg_exo -62.22 -35.18 75.92 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 123.004 2.469 . . . . 1.75 112.083 179.632 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 94.9 m -161.35 119.26 2.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.824 -0.626 . . . . 2.2599999999999998 109.977 179.344 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 30.3 t . . . . . 0 C--O 1.253 1.275 0 CA-C-O 118.15 -0.929 . . . . 3.5600000000000001 111.098 -179.443 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 1' ' ' GLU . . . . . 1.055 ' HB2' ' HB ' ' B' ' 4' ' ' THR . 2.7 mp0 . . . . . 0 N--CA 1.494 1.733 0 CA-C-O 120.86 0.362 . . . . 1.3400000000000001 111.425 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 57.8 pttt -62.12 -20.7 64.35 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.404 -0.816 . . . . 1.1899999999999999 111.505 179.39 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 15.5 ptm -133.73 25.34 4.02 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.857 -0.61 . . . . 0.85999999999999999 111.745 -179.429 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 4' ' ' THR . . . . . 1.055 ' HB ' ' HB2' ' B' ' 1' ' ' GLU . 11.6 t -57.89 -37.16 73.48 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 115.995 -0.548 . . . . 0.71999999999999997 112.267 -179.411 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 94.8 mt -70.41 -43.5 69.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.017 0.436 . . . . 0.93999999999999995 111.153 179.612 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 6' ' ' CYS . . . . . . . . . . . . . 35.9 m -63.47 -49.46 73.53 Favored 'General case' 0 C--O 1.222 -0.357 0 N-CA-C 112.596 0.591 . . . . 0.56999999999999995 112.596 -179.61 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 7' ' ' ILE . . . . . 0.628 ' HA ' ' HG ' ' B' ' 10' ' ' LEU . 14.0 tt -60.26 -38.61 78.02 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.564 0 N-CA-C 108.806 -0.812 . . . . 0.60999999999999999 108.806 179.596 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 67.6 m -61.57 -26.96 68.29 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 109.187 -0.671 . . . . 0.40000000000000002 109.187 176.107 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 2.1 t -88.06 -34.46 7.23 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.922 0 C-N-CA 120.447 -0.501 . . . . 0.56999999999999995 112.051 179.191 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.628 ' HG ' ' HA ' ' B' ' 7' ' ' ILE . 4.7 pp -68.35 -28.7 67.37 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 107.839 -1.171 . . . . 0.62 107.839 178.069 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' B' ' 7' ' ' ILE . 4.1 pp -84.67 -34.84 22.93 Favored 'General case' 0 N--CA 1.442 -0.836 0 CA-C-N 115.533 -0.758 . . . . 0.40000000000000002 109.763 176.845 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 12' ' ' ALA . . . . . 0.443 ' N ' HD12 ' B' ' 11' ' ' LEU . . . -59.72 -39.19 83.83 Favored 'General case' 0 CA--C 1.513 -0.472 0 N-CA-C 107.645 -1.242 . . . . 0.34000000000000002 107.645 177.318 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.422 ' O ' ' HG ' ' B' ' 17' ' ' LEU . 32.5 mt -66.52 -50.28 63.75 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.418 -0.81 . . . . 0.71999999999999997 109.25 176.526 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 14' ' ' THR . . . . . 0.456 ' HA ' HD12 ' B' ' 17' ' ' LEU . 94.6 m -56.4 -54.46 45.35 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.988 -0.551 . . . . 0.58999999999999997 111.876 178.82 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.604 ' HA ' HD23 ' B' ' 18' ' ' LEU . 82.3 t -59.28 -44.07 91.35 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.184 0 O-C-N 122.123 -0.361 . . . . 0.38 110.921 178.871 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 16' ' ' PHE . . . . . 0.549 ' O ' HG23 ' B' ' 20' ' ' ILE . 23.9 t80 -53.93 -40.22 66.55 Favored 'General case' 0 C--O 1.225 -0.232 0 N-CA-C 108.819 -0.808 . . . . 2.0699999999999998 108.819 178.419 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.597 ' HA ' HG12 ' B' ' 20' ' ' ILE . 22.8 mt -68.77 -35.4 77.02 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.766 -0.652 . . . . 0.79000000000000004 111.003 177.553 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.604 HD23 ' HA ' ' B' ' 15' ' ' VAL . 0.1 OUTLIER -63.56 -48.96 75.31 Favored 'General case' 0 N--CA 1.422 -1.834 0 CA-C-O 121.532 0.682 . . . . 0.51000000000000001 109.787 179.685 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.893 ' O ' HG12 ' B' ' 23' ' ' ILE . 1.7 pp -66.42 -50.9 61.85 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 115.175 -0.921 . . . . 0.37 111.925 -179.498 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 20' ' ' ILE . . . . . 0.597 HG12 ' HA ' ' B' ' 17' ' ' LEU . 33.6 pt -54.88 -26.98 18.1 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-N 118.989 0.813 . . . . 0.64000000000000001 109.765 177.839 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 21' ' ' SER . . . . . 0.425 ' HB2' ' O ' ' B' ' 18' ' ' LEU . 69.7 m -75.09 -51.78 12.64 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.56 -0.745 . . . . 0.67000000000000004 110.266 177.308 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 22' ' ' LYS . . . . . 0.549 ' HD2' ' HA ' ' B' ' 19' ' ' LEU . 0.3 OUTLIER -63.75 -26.2 68.54 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.447 -0.797 . . . . 0.68999999999999995 111.976 -179.786 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.893 HG12 ' O ' ' B' ' 19' ' ' LEU . 13.1 mm -45.84 -45.53 5.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 N-CA-C 113.818 1.044 . . . . 0.65000000000000002 113.818 -179.508 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.422 ' HA ' ' HD3' ' B' ' 25' ' ' PRO . 28.5 m -69.46 130.24 90.9 Favored Pre-proline 0 CA--C 1.539 0.552 0 CA-C-O 121.265 0.555 . . . . 0.66000000000000003 112.453 -179.191 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 25' ' ' PRO . . . . . 0.443 ' HB2' ' HD3' ' B' ' 26' ' ' PRO . 51.4 Cg_exo -54.7 -49.14 17.78 Favored 'Trans proline' 0 CA--C 1.55 1.293 0 C-N-CA 123.241 2.627 . . . . 0.84999999999999998 114.608 -179.531 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 26' ' ' PRO . . . . . 0.443 ' HD3' ' HB2' ' B' ' 25' ' ' PRO . 73.9 Cg_endo -83.21 -115.1 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.194 0 C-N-CA 121.744 1.629 . . . . 0.79000000000000004 112.776 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 27' ' ' THR . . . . . 0.443 ' H ' ' HB2' ' B' ' 26' ' ' PRO . 93.1 m -159.17 -47.89 0.06 Allowed 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 120.869 0.366 . . . . 1.4199999999999999 111.221 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 74.3 m . . . . . 0 C--O 1.251 1.172 0 CA-C-O 117.854 -1.069 . . . . 2.0699999999999998 110.642 179.762 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 47.8 mp0 . . . . . 0 N--CA 1.489 1.493 0 CA-C-O 120.776 0.322 . . . . 2.2000000000000002 111.808 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 57.2 pttt -64.97 -24.71 67.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.285 0.564 . . . . 1.6699999999999999 110.618 178.816 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 17.4 ptp -79.85 13.47 2.15 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 115.709 -0.678 . . . . 1.6499999999999999 112.193 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 5.7 t -56.97 -38.82 73.54 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 120.934 0.397 . . . . 1.05 111.88 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 89.4 mt -69.37 -41.54 76.4 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 121.134 0.493 . . . . 0.97999999999999998 110.691 179.004 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 6' ' ' CYS . . . . . 0.614 ' O ' ' HG ' ' B' ' 10' ' ' LEU . 20.4 m -64.16 -52.64 58.04 Favored 'General case' 0 C--O 1.222 -0.385 0 CA-C-N 115.984 -0.553 . . . . 0.54000000000000004 112.247 -179.795 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 7' ' ' ILE . . . . . 0.463 ' O ' ' HG ' ' B' ' 11' ' ' LEU . 7.9 tp -58.05 -36.69 57.79 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.444 0 N-CA-C 108.886 -0.783 . . . . 0.92000000000000004 108.886 179.605 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 71.3 m -61.68 -28.16 69.2 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 109.273 -0.64 . . . . 0.84999999999999998 109.273 176.146 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 1.8 t -87.43 -32.56 6.31 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.807 0 C-N-CA 120.439 -0.504 . . . . 0.69999999999999996 111.387 178.727 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.614 ' HG ' ' O ' ' B' ' 6' ' ' CYS . 14.2 mt -64.99 -34.06 77.53 Favored 'General case' 0 CA--C 1.509 -0.632 0 N-CA-C 107.545 -1.279 . . . . 0.78000000000000003 107.545 177.664 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' B' ' 7' ' ' ILE . 4.1 pp -83.15 -34.73 25.97 Favored 'General case' 0 C--O 1.213 -0.82 0 CA-C-N 114.132 -1.395 . . . . 0.82999999999999996 110.265 178.115 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.9 -39.41 85.27 Favored 'General case' 0 CA--C 1.515 -0.386 0 N-CA-C 107.528 -1.286 . . . . 0.60999999999999999 107.528 177.288 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.411 ' O ' ' HG ' ' B' ' 17' ' ' LEU . 30.0 mt -65.77 -50.54 64.37 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.449 -0.796 . . . . 0.73999999999999999 109.295 176.492 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 14' ' ' THR . . . . . 0.498 ' HA ' HD12 ' B' ' 17' ' ' LEU . 93.9 m -56.85 -54.28 48.23 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.916 -0.584 . . . . 0.69999999999999996 112.031 178.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.578 ' HA ' HD23 ' B' ' 18' ' ' LEU . 82.2 t -58.51 -46.03 89.95 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.143 0 O-C-N 122.057 -0.402 . . . . 0.75 110.958 179.141 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 16' ' ' PHE . . . . . 0.557 ' O ' HG23 ' B' ' 20' ' ' ILE . 2.9 m-30 -54.24 -39.95 67.28 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-O 121.435 0.636 . . . . 1.0700000000000001 109.299 178.136 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.593 ' HA ' HG12 ' B' ' 20' ' ' ILE . 22.9 mt -66.69 -35.23 79.63 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.123 -0.49 . . . . 0.66000000000000003 110.981 177.503 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.578 HD23 ' HA ' ' B' ' 15' ' ' VAL . 0.2 OUTLIER -63.72 -49.71 72.02 Favored 'General case' 0 N--CA 1.423 -1.791 0 CA-C-O 121.445 0.64 . . . . 0.80000000000000004 110.146 179.845 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.529 HD12 HG23 ' B' ' 20' ' ' ILE . 1.4 pp -66.37 -44.9 81.87 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.003 -0.998 . . . . 0.79000000000000004 112.401 -179.246 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 20' ' ' ILE . . . . . 0.593 HG12 ' HA ' ' B' ' 17' ' ' LEU . 33.5 pt -64.96 -21.87 30.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 C-N-CA 120.251 -0.58 . . . . 0.68000000000000005 110.068 178.061 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 75.4 m -86.99 -55.66 3.73 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 115.935 -0.575 . . . . 0.48999999999999999 112.062 179.696 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 22' ' ' LYS . . . . . 0.459 ' HB3' HG12 ' B' ' 24' ' ' VAL . 12.7 mptt -81.47 -7.5 59.59 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 115.986 -0.552 . . . . 1.3500000000000001 112.331 -178.611 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 25.6 mt 31.79 64.08 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.553 0 C-N-CA 123.951 0.901 . . . . 0.92000000000000004 113.049 179.061 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.459 HG12 ' HB3' ' B' ' 22' ' ' LYS . 7.6 p -143.95 134.12 11.97 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 115.406 -0.815 . . . . 1.71 110.677 -178.8 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 25' ' ' PRO . . . . . 0.447 ' HA ' ' HD3' ' B' ' 26' ' ' PRO . 3.6 Cg_exo -66.57 125.35 13.71 Favored 'Trans proline' 0 N--CA 1.458 -0.585 0 C-N-CA 121.799 1.666 . . . . 1.74 112.588 -179.732 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 26' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' B' ' 25' ' ' PRO . 32.3 Cg_exo -60.48 -25.66 81.04 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.763 2.309 . . . . 2.8900000000000001 111.513 179.23 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 5.8 t -169.7 -26.68 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 115.314 -0.857 . . . . 3.8100000000000001 111.055 178.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 66.5 m . . . . . 0 C--O 1.252 1.219 0 CA-C-O 117.919 -1.039 . . . . 4.7300000000000004 110.547 179.336 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 12.0 ptt? . . . . . 0 N--CA 1.467 0.406 0 CA-C-O 120.888 0.375 . . . . 1.1 111.53 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 12.3 t -56.86 -38.18 72.35 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 115.988 -0.551 . . . . 0.55 112.197 -179.306 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 93.7 mt -69.72 -43.74 71.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.895 0.379 . . . . 0.67 111.298 179.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' CYS . . . . . . . . . . . . . 28.5 m -63.88 -50.53 68.42 Favored 'General case' 0 C--O 1.223 -0.336 0 N-CA-C 112.6 0.593 . . . . 0.53 112.6 -179.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . 0.621 ' HA ' ' HG ' ' B' ' 10' ' ' LEU . 14.9 tt -60.05 -38.82 78.36 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.5 0 N-CA-C 108.809 -0.811 . . . . 0.54 108.809 179.646 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 36.9 t -61.22 -26.8 67.98 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 108.944 -0.761 . . . . 0.5 108.944 176.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 1.8 t -88.82 -34.7 7.11 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.853 0 O-C-N 121.962 -0.461 . . . . 0.46 112.238 179.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.621 ' HG ' ' HA ' ' B' ' 7' ' ' ILE . 4.7 pp -67.77 -28.87 67.98 Favored 'General case' 0 C--O 1.238 0.468 0 N-CA-C 107.88 -1.156 . . . . 0.48 107.88 177.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.898 ' HA ' HG22 ' B' ' 14' ' ' THR . 4.1 pp -84.56 -35.61 22.69 Favored 'General case' 0 N--CA 1.439 -0.995 0 CA-C-N 115.204 -0.907 . . . . 0.42 109.967 176.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' ALA . . . . . 0.449 ' N ' HD12 ' B' ' 11' ' ' LEU . . . -59.26 -38.26 79.64 Favored 'General case' 0 CA--C 1.514 -0.404 0 N-CA-C 107.685 -1.228 . . . . 0.32 107.685 177.326 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.407 ' O ' ' HG ' ' B' ' 17' ' ' LEU . 32.1 mt -66.97 -54.32 23.03 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.439 -0.8 . . . . 0.41 110.309 176.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . 0.898 HG22 ' HA ' ' B' ' 11' ' ' LEU . 4.4 t -59.96 -45.93 91.06 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 111.832 0.308 . . . . 0.41 111.832 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.571 ' HA ' HD23 ' B' ' 18' ' ' LEU . 71.4 t -62.18 -44.82 99.53 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.168 0 O-C-N 121.557 -0.714 . . . . 0.4 110.078 178.427 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . 0.544 ' O ' HG23 ' B' ' 20' ' ' ILE . 49.0 t80 -54.42 -38.42 66.24 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 108.557 -0.905 . . . . 0.64 108.557 177.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.705 HD12 ' HA ' ' B' ' 14' ' ' THR . 21.4 mt -69.03 -35.46 76.65 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.828 -0.623 . . . . 0.44 111.096 177.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.581 HD12 ' C ' ' B' ' 18' ' ' LEU . 0.2 OUTLIER -63.95 -49.07 74.02 Favored 'General case' 0 N--CA 1.422 -1.859 0 CA-C-O 121.393 0.616 . . . . 0.43 109.977 179.708 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.576 HD12 ' N ' ' B' ' 20' ' ' ILE . 1.8 pp -66.7 -49.43 66.1 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.099 -0.955 . . . . 0.37 112.167 -179.232 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . 0.576 ' N ' HD12 ' B' ' 19' ' ' LEU . 36.4 pt -56.41 -27.3 24.32 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 CA-C-N 118.811 0.732 . . . . 0.37 109.327 177.722 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 64.0 m -76.43 -53.15 8.53 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.489 -0.778 . . . . 0.35 109.836 177.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . 0.411 ' HA ' ' HD2' ' B' ' 22' ' ' LYS . 7.3 tptp . . . . . 0 N--CA 1.448 -0.55 0 CA-C-N 115.19 -0.914 . . . . 0.57 112.383 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 22.4 ptt? . . . . . 0 CA--C 1.537 0.452 0 CA-C-O 120.82 0.343 . . . . 0.99 111.784 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 6.3 t -57.62 -35.05 69.95 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 112.505 0.558 . . . . 0.67 112.505 -178.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 95.6 mt -68.5 -41.98 79.26 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-O 121.423 0.63 . . . . 0.93 110.802 179.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' CYS . . . . . . . . . . . . . 44.8 m -65.94 -49.72 66.95 Favored 'General case' 0 C--O 1.221 -0.395 0 CA-C-N 115.8 -0.636 . . . . 0.66 112.434 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . 0.645 ' HA ' ' HG ' ' B' ' 10' ' ' LEU . 19.0 tt -60.17 -36.69 69.71 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.411 0 N-CA-C 109.008 -0.738 . . . . 1.45 109.008 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 69.6 m -62.33 -28.11 69.52 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 108.957 -0.757 . . . . 0.54 108.957 175.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 2.0 t -87.09 -33.81 7.13 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.958 0 C-N-CA 120.5 -0.48 . . . . 0.72 111.905 179.055 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.645 ' HG ' ' HA ' ' B' ' 7' ' ' ILE . 4.6 pp -68.68 -28.97 67.33 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 107.851 -1.166 . . . . 0.67 107.851 177.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' B' ' 7' ' ' ILE . 4.2 pp -84.51 -34.21 23.37 Favored 'General case' 0 N--CA 1.442 -0.856 0 CA-C-N 115.425 -0.807 . . . . 0.49 109.802 176.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' ALA . . . . . 0.429 ' N ' HD12 ' B' ' 11' ' ' LEU . . . -60.13 -39.53 86.62 Favored 'General case' 0 CA--C 1.512 -0.485 0 N-CA-C 107.527 -1.286 . . . . 0.47 107.527 177.215 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 30.7 mt -66.15 -50.0 65.5 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.475 -0.784 . . . . 0.75 109.352 176.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 99.3 m -56.83 -54.78 42.45 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.983 -0.553 . . . . 0.72 111.839 178.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.674 ' HA ' HD23 ' B' ' 18' ' ' LEU . 77.7 t -58.43 -44.67 89.3 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.15 0 O-C-N 122.212 -0.305 . . . . 0.55 110.809 178.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . 0.469 ' CD1' HD11 ' B' ' 19' ' ' LEU . 42.2 t80 -53.95 -40.05 66.48 Favored 'General case' 0 C--O 1.223 -0.314 0 N-CA-C 109.197 -0.668 . . . . 0.73 109.197 178.434 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 21.6 mt -70.71 -32.02 69.07 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.101 -0.499 . . . . 0.77 111.186 177.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.674 HD23 ' HA ' ' B' ' 15' ' ' VAL . 0.1 OUTLIER -66.32 -49.08 68.24 Favored 'General case' 0 N--CA 1.424 -1.76 0 CA-C-O 121.618 0.723 . . . . 0.71 109.548 179.667 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.563 HD12 ' N ' ' B' ' 20' ' ' ILE . 1.6 pp -66.58 -48.24 70.21 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.011 -0.995 . . . . 0.47 110.31 179.652 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . 0.563 ' N ' HD12 ' B' ' 19' ' ' LEU . 11.9 mm -52.45 -31.51 15.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.373 0.606 . . . . 0.64 109.401 176.657 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . 0.501 ' HB2' ' O ' ' B' ' 18' ' ' LEU . 58.6 m -72.99 -51.43 18.3 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.373 -0.83 . . . . 0.73 111.001 177.694 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 6.5 tptp . . . . . 0 N--CA 1.443 -0.786 0 CA-C-N 115.751 -0.659 . . . . 1.5 110.2 179.932 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 15.0 ptp . . . . . 0 N--CA 1.468 0.442 0 CA-C-O 120.816 0.341 . . . . 1.2 111.613 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 5.6 t -57.89 -34.91 70.29 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 112.302 0.482 . . . . 0.85 112.302 -179.009 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 95.9 mt -71.11 -39.71 71.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.392 0.615 . . . . 1.08 110.444 178.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' CYS . . . . . 0.627 ' O ' ' HG ' ' B' ' 10' ' ' LEU . 20.9 m -65.04 -52.07 57.94 Favored 'General case' 0 C--O 1.218 -0.6 0 CA-C-N 115.823 -0.626 . . . . 0.67 111.96 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . 0.456 ' O ' ' HG ' ' B' ' 11' ' ' LEU . 1.3 tp -56.91 -37.32 53.62 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 N-CA-C 108.717 -0.845 . . . . 1.19 108.717 179.347 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 67.0 m -61.49 -29.04 69.72 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 109.42 -0.585 . . . . 0.48 109.42 176.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 1.8 t -87.3 -32.19 6.22 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.836 0 O-C-N 121.845 -0.535 . . . . 0.63 111.432 178.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.627 ' HG ' ' O ' ' B' ' 6' ' ' CYS . 13.6 mt -64.88 -34.53 78.6 Favored 'General case' 0 CA--C 1.507 -0.693 0 N-CA-C 107.406 -1.331 . . . . 0.5 107.406 177.533 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' B' ' 7' ' ' ILE . 4.1 pp -82.91 -34.38 26.63 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 114.212 -1.358 . . . . 0.42 110.388 178.136 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.94 -39.06 84.25 Favored 'General case' 0 CA--C 1.512 -0.483 0 N-CA-C 107.544 -1.28 . . . . 0.49 107.544 177.115 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 28.2 mt -66.07 -50.85 62.67 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.563 -0.744 . . . . 0.69 109.221 176.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 92.4 m -56.11 -54.41 45.4 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.88 -0.6 . . . . 0.59 111.823 178.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.655 ' HA ' HD23 ' B' ' 18' ' ' LEU . 83.1 t -58.45 -46.2 89.66 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.13 0 O-C-N 122.177 -0.327 . . . . 0.54 110.987 178.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . 0.428 ' O ' HG12 ' B' ' 20' ' ' ILE . 3.0 m-30 -54.69 -38.15 66.65 Favored 'General case' 0 C--O 1.221 -0.408 0 CA-C-O 121.416 0.627 . . . . 0.82 109.506 178.268 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 20.6 mt -70.49 -32.26 69.71 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.349 -0.387 . . . . 0.84 110.943 177.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.655 HD23 ' HA ' ' B' ' 15' ' ' VAL . 0.2 OUTLIER -66.35 -48.72 69.3 Favored 'General case' 0 N--CA 1.427 -1.62 0 CA-C-O 121.605 0.717 . . . . 0.69 109.669 179.491 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.506 HD12 ' N ' ' B' ' 20' ' ' ILE . 1.6 pp -67.16 -45.85 75.77 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 114.892 -1.049 . . . . 0.66 110.538 179.784 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . 0.506 ' N ' HD12 ' B' ' 19' ' ' LEU . 13.8 mm -58.55 -27.09 32.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 121.443 0.64 . . . . 0.85 109.496 176.776 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . 0.514 ' HB2' ' O ' ' B' ' 18' ' ' LEU . 29.8 m -73.22 -61.03 1.96 Allowed 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.634 -0.712 . . . . 0.86 111.562 178.431 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 13.4 tptt . . . . . 0 N--CA 1.445 -0.695 0 CA-C-N 115.835 -0.62 . . . . 1.42 111.026 -179.256 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 22.5 ptt? . . . . . 0 N--CA 1.465 0.311 0 CA-C-O 120.797 0.332 . . . . 1.43 111.456 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 3.3 t -58.63 -41.02 85.0 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.967 -0.561 . . . . 0.66 111.725 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 90.2 mt -68.96 -42.07 77.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.3 0.572 . . . . 0.91 110.667 179.217 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' CYS . . . . . 0.588 ' O ' ' HG ' ' B' ' 10' ' ' LEU . 23.2 m -63.99 -52.0 61.66 Favored 'General case' 0 C--O 1.22 -0.474 0 CA-C-N 115.967 -0.56 . . . . 0.64 112.28 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . 0.437 ' O ' ' HG ' ' B' ' 11' ' ' LEU . 15.1 tt -58.85 -35.58 56.9 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.463 0 N-CA-C 109.065 -0.717 . . . . 0.75 109.065 179.733 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 44.1 t -61.52 -28.14 69.11 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 108.85 -0.796 . . . . 0.58 108.85 175.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 1.6 t -88.08 -32.03 5.93 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.921 0 C-N-CA 120.679 -0.409 . . . . 0.62 111.578 178.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.588 ' HG ' ' O ' ' B' ' 6' ' ' CYS . 14.3 mt -64.39 -34.46 78.22 Favored 'General case' 0 CA--C 1.508 -0.661 0 N-CA-C 107.583 -1.266 . . . . 0.6 107.583 177.651 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' B' ' 7' ' ' ILE . 3.8 pp -83.38 -35.82 24.8 Favored 'General case' 0 N--CA 1.442 -0.832 0 CA-C-N 114.033 -1.44 . . . . 0.54 110.227 177.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' ALA . . . . . 0.41 ' O ' ' HB2' ' B' ' 16' ' ' PHE . . . -58.67 -37.81 76.83 Favored 'General case' 0 CA--C 1.512 -0.489 0 N-CA-C 107.668 -1.234 . . . . 0.41 107.668 177.484 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 28.2 mt -68.06 -53.38 26.09 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.542 -0.754 . . . . 0.55 109.878 176.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . 0.529 ' HA ' HD12 ' B' ' 17' ' ' LEU . 0.5 OUTLIER -58.04 -46.75 84.82 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 116.517 -0.311 . . . . 1.18 111.571 179.607 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.561 ' HA ' HD23 ' B' ' 18' ' ' LEU . 76.2 t -63.6 -44.85 98.73 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.2 0 O-C-N 121.596 -0.69 . . . . 0.5 110.618 178.631 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . 0.664 ' O ' ' HB ' ' B' ' 20' ' ' ILE . 15.8 t80 -55.13 -35.36 64.61 Favored 'General case' 0 C--O 1.224 -0.274 0 N-CA-C 108.749 -0.834 . . . . 2.05 108.749 178.211 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.529 HD12 ' HA ' ' B' ' 14' ' ' THR . 22.4 mt -74.04 -32.81 63.48 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.914 -0.585 . . . . 0.6 110.972 177.576 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.57 ' C ' HD12 ' B' ' 18' ' ' LEU . 0.2 OUTLIER -64.24 -50.41 68.11 Favored 'General case' 0 N--CA 1.422 -1.86 0 N-CA-C 109.237 -0.653 . . . . 0.54 109.237 179.506 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.557 HD12 ' N ' ' B' ' 20' ' ' ILE . 2.3 pp -68.82 -41.94 77.92 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.142 -0.935 . . . . 0.47 110.786 179.484 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . 0.664 ' HB ' ' O ' ' B' ' 16' ' ' PHE . 1.3 tp -55.79 -28.5 23.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 108.949 -0.76 . . . . 0.77 108.949 177.545 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 69.3 m -83.88 -51.47 7.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.993 -1.003 . . . . 0.48 109.865 177.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 7.2 tptp . . . . . 0 N--CA 1.448 -0.55 0 CA-C-N 114.921 -1.036 . . . . 0.7 112.953 -179.215 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 16.4 ptp . . . . . 0 N--CA 1.468 0.459 0 N-CA-C 112.471 0.545 . . . . 2.03 112.471 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 6.8 t -57.61 -39.99 78.13 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 111.997 0.369 . . . . 1.17 111.997 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 91.0 mt -69.16 -41.27 77.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.187 0.518 . . . . 1.26 110.628 178.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' CYS . . . . . 0.618 ' O ' ' HG ' ' B' ' 10' ' ' LEU . 34.6 m -65.09 -52.16 57.15 Favored 'General case' 0 C--O 1.219 -0.518 0 CA-C-N 115.946 -0.57 . . . . 0.76 112.252 -179.699 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . 0.469 ' O ' ' HG ' ' B' ' 11' ' ' LEU . 7.8 tp -58.51 -35.83 56.44 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.468 0 N-CA-C 108.686 -0.857 . . . . 0.88 108.686 179.422 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 27.1 t -61.35 -29.65 70.03 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 109.017 -0.734 . . . . 0.93 109.017 176.177 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 1.8 t -87.07 -32.38 6.36 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.795 0 C-N-CA 120.491 -0.483 . . . . 1.05 111.659 178.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.618 ' HG ' ' O ' ' B' ' 6' ' ' CYS . 14.9 mt -64.74 -34.39 78.21 Favored 'General case' 0 CA--C 1.507 -0.684 0 N-CA-C 107.475 -1.306 . . . . 0.96 107.475 177.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' B' ' 7' ' ' ILE . 3.9 pp -82.84 -34.82 26.75 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 114.219 -1.355 . . . . 0.59 110.147 177.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.71 -38.71 82.35 Favored 'General case' 0 CA--C 1.514 -0.411 0 N-CA-C 107.753 -1.203 . . . . 0.83 107.753 177.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 32.0 mt -66.88 -50.89 61.05 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.535 -0.757 . . . . 1.31 109.361 176.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 91.6 m -55.97 -54.45 44.67 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.8 -0.636 . . . . 0.66 111.761 178.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.662 ' HA ' HD23 ' B' ' 18' ' ' LEU . 81.1 t -59.12 -44.67 92.14 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.206 0 O-C-N 122.157 -0.339 . . . . 0.64 110.801 178.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . 0.474 ' CD1' HD11 ' B' ' 19' ' ' LEU . 43.0 t80 -53.8 -39.65 65.67 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-O 121.602 0.715 . . . . 1.59 109.081 178.255 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 21.4 mt -70.94 -32.74 69.72 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.037 -0.529 . . . . 1.2 111.01 177.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.662 HD23 ' HA ' ' B' ' 15' ' ' VAL . 0.1 OUTLIER -65.83 -48.64 70.96 Favored 'General case' 0 N--CA 1.425 -1.68 0 CA-C-O 121.622 0.725 . . . . 0.55 109.708 179.612 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.543 HD12 ' N ' ' B' ' 20' ' ' ILE . 1.8 pp -67.1 -46.27 74.73 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 114.914 -1.039 . . . . 0.97 110.646 179.765 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . 0.543 ' N ' HD12 ' B' ' 19' ' ' LEU . 13.4 mm -57.83 -27.52 30.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.543 0.687 . . . . 1.22 109.68 176.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . 0.51 ' HB2' ' O ' ' B' ' 18' ' ' LEU . 27.6 m -72.98 -59.57 2.64 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.438 -0.801 . . . . 0.68 111.843 178.701 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 12.9 tptt . . . . . 0 N--CA 1.446 -0.632 0 CA-C-N 115.522 -0.763 . . . . 1.47 111.045 -179.018 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 20.2 ptt? . . . . . 0 CA--C 1.538 0.497 0 N-CA-C 112.108 0.41 . . . . 1.62 112.108 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 5.1 t -53.94 -41.04 67.31 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 112.013 0.375 . . . . 1.19 112.013 -179.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 87.0 mt -66.92 -42.81 84.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.25 0.547 . . . . 1.5 110.88 179.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' CYS . . . . . 0.599 ' O ' ' HG ' ' B' ' 10' ' ' LEU . 31.1 m -64.64 -51.82 60.63 Favored 'General case' 0 C--O 1.219 -0.508 0 CA-C-N 116.017 -0.538 . . . . 0.95 112.191 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . 0.439 ' O ' ' HG ' ' B' ' 11' ' ' LEU . 15.2 tt -59.2 -35.45 57.8 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.431 0 N-CA-C 108.924 -0.769 . . . . 0.76 108.924 179.614 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 29.5 t -62.39 -27.48 69.11 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 109.009 -0.737 . . . . 0.89 109.009 175.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 1.5 t -87.72 -31.81 5.96 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.871 0 C-N-CA 120.388 -0.525 . . . . 1.07 111.212 178.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.599 ' HG ' ' O ' ' B' ' 6' ' ' CYS . 13.9 mt -64.88 -34.59 78.75 Favored 'General case' 0 CA--C 1.51 -0.594 0 N-CA-C 107.344 -1.354 . . . . 0.9 107.344 177.468 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' B' ' 7' ' ' ILE . 4.0 pp -83.25 -34.55 25.8 Favored 'General case' 0 C--O 1.214 -0.795 0 CA-C-N 114.148 -1.387 . . . . 0.62 110.316 178.145 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.9 -38.28 81.82 Favored 'General case' 0 CA--C 1.514 -0.421 0 N-CA-C 107.672 -1.233 . . . . 0.78 107.672 177.275 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.4 ' O ' ' HG ' ' B' ' 17' ' ' LEU . 28.0 mt -67.34 -51.04 57.19 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 115.552 -0.749 . . . . 1.24 109.198 176.415 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . 0.4 ' HA ' HD12 ' B' ' 17' ' ' LEU . 89.4 m -55.55 -54.27 46.07 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 115.906 -0.588 . . . . 0.96 111.752 178.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.655 ' HA ' HD23 ' B' ' 18' ' ' LEU . 89.1 t -59.45 -45.08 93.96 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.199 0 O-C-N 122.212 -0.305 . . . . 0.79 110.842 178.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . 0.461 ' CD1' HD11 ' B' ' 19' ' ' LEU . 48.4 t80 -53.89 -37.65 63.96 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.481 0.658 . . . . 1.56 109.227 178.324 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.577 ' HA ' HG22 ' B' ' 20' ' ' ILE . 21.0 mt -72.43 -34.01 67.52 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.957 -0.565 . . . . 1.43 110.868 177.717 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.655 HD23 ' HA ' ' B' ' 15' ' ' VAL . 0.2 OUTLIER -65.01 -48.94 72.14 Favored 'General case' 0 N--CA 1.423 -1.781 0 CA-C-O 121.633 0.73 . . . . 1.06 109.622 179.624 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.596 HD12 ' N ' ' B' ' 20' ' ' ILE . 2.3 pp -68.2 -46.46 70.58 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 114.861 -1.063 . . . . 0.97 110.929 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . 0.596 ' N ' HD12 ' B' ' 19' ' ' LEU . 4.1 tp -58.86 -24.44 26.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 121.249 0.547 . . . . 1.34 109.745 178.047 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . 0.439 ' HB2' ' O ' ' B' ' 18' ' ' LEU . 31.6 m -77.32 -60.32 2.41 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-N 115.477 -0.783 . . . . 1.42 111.081 178.207 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 6.2 tptp . . . . . 0 N--CA 1.446 -0.637 0 CA-C-N 115.321 -0.854 . . . . 1.56 111.378 -179.157 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 21.4 ptm . . . . . 0 N--CA 1.468 0.461 0 N-CA-C 112.069 0.396 . . . . 1.41 112.069 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 3.0 t -60.24 -41.03 92.31 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 120.809 0.337 . . . . 0.61 111.406 179.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 90.3 mt -68.41 -41.36 80.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.212 0.529 . . . . 0.8 110.553 178.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' CYS . . . . . 0.622 ' O ' ' HG ' ' B' ' 10' ' ' LEU . 29.4 m -64.61 -52.65 56.34 Favored 'General case' 0 C--O 1.219 -0.506 0 CA-C-N 116.01 -0.541 . . . . 0.54 112.22 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . 0.459 ' O ' ' HG ' ' B' ' 11' ' ' LEU . 8.1 tp -58.44 -36.59 59.63 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.462 0 N-CA-C 108.933 -0.765 . . . . 0.54 108.933 179.578 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 39.9 t -62.24 -27.12 68.77 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 109.237 -0.653 . . . . 0.53 109.237 176.125 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 1.4 t -88.2 -32.24 5.96 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.857 0 C-N-CA 120.331 -0.548 . . . . 0.48 111.371 178.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.622 ' HG ' ' O ' ' B' ' 6' ' ' CYS . 14.1 mt -65.06 -34.23 77.93 Favored 'General case' 0 CA--C 1.509 -0.619 0 N-CA-C 107.462 -1.31 . . . . 0.52 107.462 177.597 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' B' ' 7' ' ' ILE . 4.0 pp -83.06 -35.09 26.01 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 114.15 -1.386 . . . . 0.54 110.309 177.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.75 -38.38 81.61 Favored 'General case' 0 CA--C 1.514 -0.431 0 N-CA-C 107.704 -1.221 . . . . 0.43 107.704 177.323 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 29.0 mt -67.05 -50.72 61.0 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.595 -0.73 . . . . 0.57 109.317 176.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 89.2 m -56.34 -54.3 47.17 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.968 -0.56 . . . . 0.58 111.824 178.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.658 ' HA ' HD23 ' B' ' 18' ' ' LEU . 79.0 t -58.77 -44.88 91.19 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.166 0 O-C-N 122.13 -0.356 . . . . 0.5 110.86 178.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . 0.475 ' CD1' HD11 ' B' ' 19' ' ' LEU . 43.1 t80 -54.08 -39.93 66.76 Favored 'General case' 0 C--O 1.223 -0.335 0 CA-C-O 121.596 0.712 . . . . 0.64 109.195 178.34 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 22.4 mt -70.6 -32.19 69.45 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.02 -0.536 . . . . 0.6 111.037 177.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.658 HD23 ' HA ' ' B' ' 15' ' ' VAL . 0.1 OUTLIER -66.03 -48.97 69.34 Favored 'General case' 0 N--CA 1.425 -1.723 0 CA-C-O 121.573 0.702 . . . . 0.55 109.568 179.662 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.547 HD12 ' N ' ' B' ' 20' ' ' ILE . 1.5 pp -66.47 -48.16 70.78 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.132 -0.94 . . . . 0.46 110.361 179.644 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . 0.547 ' N ' HD12 ' B' ' 19' ' ' LEU . 13.8 mm -53.07 -31.15 17.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.339 0.59 . . . . 0.53 109.455 176.759 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . 0.513 ' HB2' ' O ' ' B' ' 18' ' ' LEU . 57.8 m -73.05 -50.64 21.79 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.357 -0.838 . . . . 0.52 110.887 177.776 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 1.6 tptm . . . . . 0 N--CA 1.444 -0.74 0 CA-C-N 115.338 -0.846 . . . . 0.99 110.043 -179.949 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 15.8 ptp . . . . . 0 N--CA 1.469 0.48 0 N-CA-C 112.373 0.508 . . . . 1.92 112.373 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 4.4 t -56.04 -39.87 72.65 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 112.264 0.468 . . . . 1.13 112.264 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 88.1 mt -66.92 -42.78 84.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.113 0.482 . . . . 1.37 110.901 179.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' CYS . . . . . 0.615 ' O ' ' HG ' ' B' ' 10' ' ' LEU . 29.9 m -65.57 -52.31 53.24 Favored 'General case' 0 C--O 1.218 -0.564 0 CA-C-N 116.058 -0.519 . . . . 0.94 112.379 -179.8 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . 0.464 ' O ' ' HG ' ' B' ' 11' ' ' LEU . 7.9 tp -58.05 -36.57 57.25 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.44 0 N-CA-C 108.839 -0.8 . . . . 0.86 108.839 179.649 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 48.1 t -60.82 -30.13 69.9 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 108.955 -0.758 . . . . 0.89 108.955 176.03 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 1.6 t -86.71 -32.19 6.45 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.774 0 O-C-N 121.846 -0.534 . . . . 1.13 111.918 178.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.615 ' HG ' ' O ' ' B' ' 6' ' ' CYS . 14.2 mt -65.1 -34.09 77.57 Favored 'General case' 0 CA--C 1.508 -0.664 0 N-CA-C 107.571 -1.27 . . . . 1.02 107.571 177.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' B' ' 7' ' ' ILE . 4.0 pp -83.03 -34.58 26.22 Favored 'General case' 0 C--O 1.215 -0.738 0 CA-C-N 114.262 -1.335 . . . . 0.6 110.243 177.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' ALA . . . . . 0.425 ' O ' ' HB2' ' B' ' 16' ' ' PHE . . . -59.96 -39.05 84.28 Favored 'General case' 0 CA--C 1.514 -0.418 0 N-CA-C 107.662 -1.236 . . . . 0.81 107.662 177.413 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 29.9 mt -67.19 -48.89 66.57 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.579 -0.737 . . . . 1.32 109.427 176.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . 0.546 ' O ' ' HG ' ' B' ' 17' ' ' LEU . 96.7 m -57.81 -54.14 50.28 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 115.827 -0.624 . . . . 0.78 111.629 178.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.768 ' HA ' HD23 ' B' ' 18' ' ' LEU . 94.2 t -59.65 -45.93 93.79 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.36 0 O-C-N 121.546 -0.721 . . . . 0.68 110.661 178.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . 0.425 ' HB2' ' O ' ' B' ' 12' ' ' ALA . 1.2 m-85 -54.4 -37.36 64.97 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 120.925 -0.31 . . . . 2.05 111.063 178.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.689 ' HA ' HG22 ' B' ' 20' ' ' ILE . 4.4 pp -79.61 -25.22 41.53 Favored 'General case' 0 N--CA 1.444 -0.739 0 C-N-CA 119.41 -0.916 . . . . 1.04 110.514 178.327 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.768 HD23 ' HA ' ' B' ' 15' ' ' VAL . 0.1 OUTLIER -67.66 -49.66 61.77 Favored 'General case' 0 N--CA 1.423 -1.804 0 N-CA-C 108.695 -0.854 . . . . 0.71 108.695 178.283 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.612 HD12 ' N ' ' B' ' 20' ' ' ILE . 2.3 pp -67.52 -45.75 74.86 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.62 -1.173 . . . . 0.86 110.782 179.555 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . 0.689 HG22 ' HA ' ' B' ' 17' ' ' LEU . 3.6 tp -60.05 -24.08 29.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.061 0.458 . . . . 1.12 110.01 178.238 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 30.3 m -77.64 -61.57 1.95 Allowed 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.822 -0.626 . . . . 0.87 111.181 178.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 13.5 tptt . . . . . 0 N--CA 1.445 -0.689 0 CA-C-N 115.249 -0.887 . . . . 1.39 111.064 -179.262 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 21.1 ptt? . . . . . 0 CA--C 1.537 0.446 0 N-CA-C 112.125 0.417 . . . . 1.27 112.125 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 5.9 t -55.77 -40.69 72.95 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 112.172 0.434 . . . . 0.61 112.172 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 93.7 mt -67.69 -39.97 84.39 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-O 121.11 0.481 . . . . 0.8 111.04 179.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' CYS . . . . . . . . . . . . . 34.6 m -67.21 -50.54 60.41 Favored 'General case' 0 C--O 1.22 -0.458 0 N-CA-C 112.348 0.499 . . . . 0.45 112.348 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . 0.641 ' HA ' ' HG ' ' B' ' 10' ' ' LEU . 14.2 tt -60.14 -38.49 77.26 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.555 0 N-CA-C 108.687 -0.857 . . . . 0.72 108.687 179.635 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 33.4 t -60.25 -29.04 68.51 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 108.954 -0.758 . . . . 0.48 108.954 176.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 1.8 t -87.51 -34.26 7.29 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.864 0 N-CA-C 112.48 0.548 . . . . 0.54 112.48 179.317 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.641 ' HG ' ' HA ' ' B' ' 7' ' ' ILE . 4.7 pp -67.82 -29.15 68.24 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.023 -1.103 . . . . 0.58 108.023 178.086 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.52 ' HG ' ' O ' ' B' ' 7' ' ' ILE . 4.1 pp -84.45 -34.82 23.36 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-N 115.328 -0.851 . . . . 0.45 109.764 176.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' ALA . . . . . 0.439 ' N ' HD12 ' B' ' 11' ' ' LEU . . . -59.62 -39.0 82.84 Favored 'General case' 0 CA--C 1.514 -0.427 0 N-CA-C 107.607 -1.257 . . . . 0.36 107.607 177.343 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.403 ' O ' ' HG ' ' B' ' 17' ' ' LEU . 30.5 mt -66.39 -50.78 62.31 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.554 -0.748 . . . . 0.63 109.393 176.456 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . 0.451 ' HA ' HD12 ' B' ' 17' ' ' LEU . 95.6 m -56.48 -54.17 48.92 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 116.037 -0.528 . . . . 0.52 111.791 178.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.655 ' HA ' HD23 ' B' ' 18' ' ' LEU . 82.3 t -58.99 -44.81 91.98 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.161 0 O-C-N 122.199 -0.313 . . . . 0.47 110.783 178.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . 0.523 ' O ' HG23 ' B' ' 20' ' ' ILE . 43.2 t80 -53.44 -40.67 65.4 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 109.009 -0.737 . . . . 0.83 109.009 178.227 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.563 ' HA ' HG12 ' B' ' 20' ' ' ILE . 21.4 mt -68.34 -34.84 76.82 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.798 -0.637 . . . . 0.64 111.01 177.743 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.655 HD23 ' HA ' ' B' ' 15' ' ' VAL . 0.2 OUTLIER -65.17 -48.21 74.29 Favored 'General case' 0 N--CA 1.424 -1.728 0 CA-C-O 121.518 0.675 . . . . 0.46 110.162 179.849 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.554 HD12 ' N ' ' B' ' 20' ' ' ILE . 1.8 pp -66.36 -48.6 69.69 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 114.903 -1.044 . . . . 0.4 111.781 -179.368 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . 0.563 HG12 ' HA ' ' B' ' 17' ' ' LEU . 33.7 pt -60.43 -24.48 31.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 C-N-CA 120.068 -0.653 . . . . 0.57 109.755 177.625 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . 0.455 ' HB2' ' O ' ' B' ' 18' ' ' LEU . 21.5 m -73.81 -63.06 1.29 Allowed 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.552 -0.749 . . . . 0.51 111.199 178.592 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 6.2 tptp . . . . . 0 N--CA 1.445 -0.687 0 CA-C-N 115.425 -0.807 . . . . 1.02 110.994 -179.522 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 21.6 ptm . . . . . 0 CA--C 1.537 0.45 0 N-CA-C 112.169 0.433 . . . . 1.29 112.169 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 6.0 t -58.07 -38.06 75.64 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 120.804 0.335 . . . . 0.6 111.781 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 91.4 mt -69.3 -42.32 75.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.154 0.502 . . . . 0.81 110.838 179.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' CYS . . . . . . . . . . . . . 32.7 m -64.71 -50.08 68.36 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-N 115.994 -0.548 . . . . 0.66 112.399 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . 0.618 ' HA ' ' HG ' ' B' ' 10' ' ' LEU . 14.7 tt -59.98 -38.17 75.48 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.572 0 N-CA-C 108.881 -0.785 . . . . 0.67 108.881 179.687 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 70.9 m -62.08 -27.09 68.67 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 109.128 -0.693 . . . . 0.41 109.128 176.088 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 2.1 t -87.51 -34.45 7.42 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.887 0 O-C-N 121.915 -0.491 . . . . 0.66 112.014 179.174 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.618 ' HG ' ' HA ' ' B' ' 7' ' ' ILE . 4.7 pp -68.49 -29.04 67.57 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 107.911 -1.144 . . . . 0.58 107.911 177.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' B' ' 7' ' ' ILE . 4.1 pp -84.34 -33.94 23.76 Favored 'General case' 0 N--CA 1.441 -0.88 0 CA-C-N 115.412 -0.813 . . . . 0.47 109.781 176.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' ALA . . . . . 0.419 ' N ' HD12 ' B' ' 11' ' ' LEU . . . -60.58 -40.29 91.21 Favored 'General case' 0 CA--C 1.515 -0.378 0 N-CA-C 107.44 -1.319 . . . . 0.51 107.44 177.16 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 31.0 mt -65.44 -48.43 72.75 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 115.519 -0.764 . . . . 0.74 109.549 176.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . 0.55 ' O ' ' HG ' ' B' ' 17' ' ' LEU . 99.7 m -59.3 -54.5 46.06 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 115.857 -0.611 . . . . 0.53 111.849 179.066 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.759 ' HA ' HD23 ' B' ' 18' ' ' LEU . 91.0 t -59.05 -46.11 91.98 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.29 0 O-C-N 121.452 -0.78 . . . . 0.62 110.904 179.118 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . 0.552 ' O ' HG23 ' B' ' 20' ' ' ILE . 3.0 m-85 -55.39 -39.01 69.63 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.711 -0.396 . . . . 1.05 110.877 179.016 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.772 ' HA ' HG12 ' B' ' 20' ' ' ILE . 4.4 pp -75.85 -25.92 56.67 Favored 'General case' 0 N--CA 1.444 -0.725 0 C-N-CA 119.166 -1.014 . . . . 0.61 110.504 178.231 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.759 HD23 ' HA ' ' B' ' 15' ' ' VAL . 0.1 OUTLIER -67.45 -48.68 66.51 Favored 'General case' 0 N--CA 1.422 -1.838 0 CA-C-O 121.705 0.764 . . . . 0.58 108.94 178.414 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.552 HD12 ' N ' ' B' ' 20' ' ' ILE . 1.6 pp -65.94 -49.39 68.11 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 114.732 -1.122 . . . . 0.71 111.519 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . 0.772 HG12 ' HA ' ' B' ' 17' ' ' LEU . 31.7 pt -59.57 -24.71 29.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 C-N-CA 119.843 -0.743 . . . . 0.75 109.974 177.763 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . 0.484 ' HB2' ' O ' ' B' ' 18' ' ' LEU . 15.0 m -72.4 -59.64 2.63 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 115.731 -0.668 . . . . 0.55 111.572 178.546 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 12.5 tptt . . . . . 0 N--CA 1.444 -0.726 0 CA-C-N 115.672 -0.694 . . . . 1.32 111.208 -179.109 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 17.6 ptm . . . . . 0 N--CA 1.467 0.419 0 N-CA-C 111.989 0.366 . . . . 1.22 111.989 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 4.6 t -58.55 -39.76 81.13 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 120.766 0.317 . . . . 0.71 111.508 179.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 88.8 mt -69.52 -41.94 75.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.192 0.52 . . . . 0.85 110.51 179.002 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' CYS . . . . . 0.57 ' O ' ' HG ' ' B' ' 10' ' ' LEU . 13.8 m -63.8 -52.91 58.12 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-N 115.74 -0.664 . . . . 0.51 112.017 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . 0.475 ' O ' ' HG ' ' B' ' 11' ' ' LEU . 15.4 tt -58.8 -35.98 58.66 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.488 0 N-CA-C 109.08 -0.711 . . . . 0.58 109.08 179.584 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 74.0 m -61.84 -27.47 68.8 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 108.862 -0.792 . . . . 0.58 108.862 176.1 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.593 ' O ' HD13 ' B' ' 13' ' ' LEU . 1.6 t -86.92 -34.45 7.65 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.928 0 C-N-CA 120.455 -0.498 . . . . 0.66 111.141 178.476 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.57 ' HG ' ' O ' ' B' ' 6' ' ' CYS . 12.1 mt -63.21 -33.22 75.01 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 107.779 -1.193 . . . . 0.49 107.779 177.774 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' B' ' 7' ' ' ILE . 4.1 pp -84.91 -34.16 22.59 Favored 'General case' 0 C--O 1.213 -0.867 0 CA-C-N 114.132 -1.395 . . . . 0.51 110.706 178.436 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.5 -41.82 90.75 Favored 'General case' 0 CA--C 1.513 -0.451 0 N-CA-C 107.556 -1.275 . . . . 0.5 107.556 177.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.593 HD13 ' O ' ' B' ' 9' ' ' VAL . 11.1 mp -66.13 -48.85 69.48 Favored 'General case' 0 N--CA 1.443 -0.775 0 CA-C-N 115.524 -0.762 . . . . 0.57 109.94 176.463 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . 0.523 ' HA ' HD12 ' B' ' 17' ' ' LEU . 78.1 m -57.99 -53.33 59.43 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 116.619 -0.264 . . . . 0.44 111.605 178.717 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.687 ' O ' HD13 ' B' ' 19' ' ' LEU . 53.5 t -57.96 -48.39 84.21 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.184 0 O-C-N 122.159 -0.338 . . . . 0.46 110.435 178.611 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . 0.565 ' O ' HG23 ' B' ' 20' ' ' ILE . 32.9 t80 -50.44 -43.18 55.01 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 109.131 -0.692 . . . . 0.67 109.131 178.404 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.68 ' HA ' HG12 ' B' ' 20' ' ' ILE . 20.7 mt -64.51 -32.34 73.93 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 115.879 -0.601 . . . . 0.48 110.847 177.597 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.643 HD23 HG13 ' B' ' 15' ' ' VAL . 0.1 OUTLIER -62.6 -53.04 60.52 Favored 'General case' 0 N--CA 1.418 -2.041 0 O-C-N 122.226 -0.296 . . . . 0.42 110.359 179.218 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.722 HD13 ' H ' ' B' ' 19' ' ' LEU 0.251 0.0 OUTLIER -70.62 -33.8 71.42 Favored 'General case' 0 C--O 1.221 -0.403 0 C-N-CA 118.567 -1.253 . . . . 0.4 113.117 -178.79 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . 0.68 HG12 ' HA ' ' B' ' 17' ' ' LEU . 28.7 pt -69.79 -21.86 24.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 119.119 0.872 . . . . 0.39 109.288 177.354 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 33.6 m -81.28 -59.1 2.76 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.33 -0.85 . . . . 0.35 111.938 179.351 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 12.9 tptt . . . . . 0 N--CA 1.445 -0.725 0 CA-C-N 115.455 -0.793 . . . . 1.14 111.044 -178.837 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 19.9 ptp . . . . . 0 CA--C 1.537 0.465 0 N-CA-C 112.258 0.466 . . . . 1.04 112.258 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 5.1 t -59.84 -38.02 80.88 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 120.871 0.367 . . . . 0.61 111.556 179.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 91.3 mt -69.41 -41.46 76.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.128 0.489 . . . . 1.01 110.573 179.228 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' CYS . . . . . 0.619 ' O ' ' HG ' ' B' ' 10' ' ' LEU . 30.0 m -64.77 -52.03 59.12 Favored 'General case' 0 C--O 1.22 -0.494 0 CA-C-N 116.059 -0.519 . . . . 0.5 112.188 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . 0.469 ' O ' ' HG ' ' B' ' 11' ' ' LEU . 8.0 tp -58.47 -36.36 58.71 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.455 0 N-CA-C 108.917 -0.771 . . . . 0.56 108.917 179.609 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 69.0 m -62.14 -27.98 69.32 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 109.1 -0.704 . . . . 0.6 109.1 176.157 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 1.9 t -87.54 -32.91 6.39 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.822 0 O-C-N 121.881 -0.512 . . . . 0.63 111.538 178.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.619 ' HG ' ' O ' ' B' ' 6' ' ' CYS . 14.2 mt -64.65 -33.93 77.09 Favored 'General case' 0 CA--C 1.508 -0.653 0 N-CA-C 107.493 -1.299 . . . . 0.48 107.493 177.643 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.824 ' HA ' HG22 ' B' ' 14' ' ' THR . 4.1 pp -83.24 -35.44 25.36 Favored 'General case' 0 N--CA 1.441 -0.894 0 CA-C-N 114.097 -1.41 . . . . 0.59 110.509 177.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' ALA . . . . . 0.41 ' N ' HD12 ' B' ' 11' ' ' LEU . . . -59.02 -37.74 77.64 Favored 'General case' 0 CA--C 1.515 -0.398 0 N-CA-C 107.617 -1.253 . . . . 0.56 107.617 177.301 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.411 ' O ' ' HG ' ' B' ' 17' ' ' LEU . 30.6 mt -67.8 -53.63 25.57 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.277 -0.874 . . . . 0.63 110.119 176.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . 0.824 HG22 ' HA ' ' B' ' 11' ' ' LEU . 2.1 t -60.29 -45.21 94.14 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 116.587 -0.279 . . . . 0.56 111.707 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.604 ' HA ' HD23 ' B' ' 18' ' ' LEU . 74.7 t -63.07 -44.81 99.75 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.169 0 O-C-N 121.723 -0.61 . . . . 0.61 109.978 178.48 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . 0.509 ' O ' HG23 ' B' ' 20' ' ' ILE . 51.7 t80 -54.33 -38.68 66.28 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 108.495 -0.928 . . . . 0.72 108.495 177.764 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.69 HD12 ' HA ' ' B' ' 14' ' ' THR . 22.7 mt -68.85 -35.33 76.8 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.622 -0.717 . . . . 0.6 111.052 177.687 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.604 HD23 ' HA ' ' B' ' 15' ' ' VAL . 0.2 OUTLIER -64.79 -48.19 75.38 Favored 'General case' 0 N--CA 1.425 -1.703 0 CA-C-O 121.598 0.713 . . . . 0.65 110.141 179.829 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.541 HD12 ' N ' ' B' ' 20' ' ' ILE . 1.5 pp -66.28 -49.81 65.83 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 114.921 -1.036 . . . . 0.52 111.65 -179.253 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . 0.541 ' N ' HD12 ' B' ' 19' ' ' LEU . 32.7 pt -59.78 -24.65 29.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 C-N-CA 120.2 -0.6 . . . . 0.47 109.827 177.537 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . 0.518 ' HB2' ' O ' ' B' ' 18' ' ' LEU . 15.9 m -71.06 -61.52 1.73 Allowed 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.595 -0.729 . . . . 0.51 111.235 178.44 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 5.5 tptp . . . . . 0 N--CA 1.445 -0.703 0 CA-C-N 115.699 -0.682 . . . . 1.2 111.332 -179.387 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 11.5 ptt? . . . . . 0 N--CA 1.467 0.391 0 N-CA-C 112.286 0.476 . . . . 1.49 112.286 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 3.4 t -52.68 -41.53 63.94 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 112.07 0.396 . . . . 1.55 112.07 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.811 ' H ' HD23 ' B' ' 5' ' ' LEU . 1.3 pt? -68.33 -43.01 78.49 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-O 120.991 0.424 . . . . 1.54 110.85 179.013 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' CYS . . . . . 0.407 ' N ' ' HG ' ' B' ' 5' ' ' LEU . 57.1 m -67.01 -47.74 70.52 Favored 'General case' 0 C--O 1.22 -0.48 0 N-CA-C 112.114 0.413 . . . . 1.01 112.114 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . 0.585 ' HA ' ' HG ' ' B' ' 10' ' ' LEU . 0.1 OUTLIER -60.44 -37.42 74.52 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.297 0 N-CA-C 108.197 -1.038 . . . . 0.87 108.197 179.568 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . 0.4 ' HA ' HD21 ' B' ' 11' ' ' LEU . 34.3 t -63.58 -26.93 68.91 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 109.372 -0.603 . . . . 1.19 109.372 175.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 2.1 t -87.89 -33.77 6.83 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.015 0 C-N-CA 120.444 -0.502 . . . . 1.34 111.883 179.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.585 ' HG ' ' HA ' ' B' ' 7' ' ' ILE . 4.6 pp -69.04 -28.95 67.01 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 107.702 -1.221 . . . . 0.8 107.702 177.762 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' B' ' 7' ' ' ILE . 4.2 pp -83.48 -34.85 25.28 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 115.547 -0.751 . . . . 0.82 109.497 176.566 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' ALA . . . . . 0.449 ' N ' HD12 ' B' ' 11' ' ' LEU . . . -60.07 -39.38 85.86 Favored 'General case' 0 CA--C 1.512 -0.498 0 N-CA-C 107.713 -1.218 . . . . 1.07 107.713 177.472 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.42 ' O ' ' HG ' ' B' ' 17' ' ' LEU . 30.2 mt -66.21 -50.95 62.08 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.723 -0.671 . . . . 1.59 109.343 176.523 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . 0.474 ' HA ' HD12 ' B' ' 17' ' ' LEU . 92.6 m -56.17 -54.61 43.12 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.923 -0.58 . . . . 0.91 111.739 178.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.625 ' HA ' HD23 ' B' ' 18' ' ' LEU . 89.3 t -59.21 -44.22 91.42 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.162 0 O-C-N 122.075 -0.391 . . . . 0.84 110.757 178.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . 0.517 ' O ' HG23 ' B' ' 20' ' ' ILE . 51.1 t80 -53.52 -40.38 65.4 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 108.853 -0.795 . . . . 1.96 108.853 178.126 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.548 ' HA ' HG12 ' B' ' 20' ' ' ILE . 21.8 mt -68.8 -35.11 76.6 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.888 -0.596 . . . . 1.62 110.985 177.742 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.625 HD23 ' HA ' ' B' ' 15' ' ' VAL . 0.1 OUTLIER -65.47 -48.06 73.95 Favored 'General case' 0 N--CA 1.423 -1.799 0 CA-C-O 121.536 0.684 . . . . 0.92 109.965 179.872 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.571 HD12 ' N ' ' B' ' 20' ' ' ILE . 2.0 pp -66.24 -48.44 70.53 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 114.841 -1.072 . . . . 1.22 111.714 -179.229 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . 0.571 ' N ' HD12 ' B' ' 19' ' ' LEU . 33.4 pt -61.21 -24.61 33.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 C-N-CA 120.115 -0.634 . . . . 1.61 109.765 177.673 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . 0.467 ' HB2' ' O ' ' B' ' 18' ' ' LEU . 16.5 m -71.95 -62.65 1.35 Allowed 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 115.564 -0.744 . . . . 1.38 111.557 178.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 5.2 tptp . . . . . 0 N--CA 1.446 -0.63 0 CA-C-N 115.609 -0.723 . . . . 1.63 111.347 -179.265 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 18.0 ptm . . . . . 0 N--CA 1.47 0.572 0 N-CA-C 112.522 0.564 . . . . 0.77 112.522 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 3.9 t -54.88 -41.04 70.37 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 112.699 0.629 . . . . 0.55 112.699 -179.468 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.775 HD23 ' H ' ' B' ' 5' ' ' LEU . 1.0 OUTLIER -68.78 -41.36 78.9 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 121.037 0.446 . . . . 0.71 111.198 179.423 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' CYS . . . . . 0.6 ' O ' ' HG ' ' B' ' 10' ' ' LEU . 32.7 m -64.29 -51.41 63.65 Favored 'General case' 0 C--O 1.22 -0.477 0 N-CA-C 112.286 0.476 . . . . 0.46 112.286 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . 0.438 ' O ' ' HG ' ' B' ' 11' ' ' LEU . 15.0 tt -59.1 -35.48 57.55 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.513 0 N-CA-C 108.985 -0.746 . . . . 0.47 108.985 179.641 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 66.4 m -62.4 -27.64 69.23 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 108.877 -0.786 . . . . 0.41 108.877 176.039 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 1.8 t -87.61 -32.16 6.11 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.803 0 O-C-N 121.95 -0.469 . . . . 0.53 111.35 178.484 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.6 ' HG ' ' O ' ' B' ' 6' ' ' CYS . 13.3 mt -64.69 -34.28 77.93 Favored 'General case' 0 CA--C 1.51 -0.592 0 N-CA-C 107.426 -1.324 . . . . 0.52 107.426 177.525 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.438 ' HG ' ' O ' ' B' ' 7' ' ' ILE . 4.0 pp -83.36 -34.61 25.56 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 114.25 -1.341 . . . . 0.4 110.361 178.088 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.97 -38.24 81.95 Favored 'General case' 0 CA--C 1.514 -0.411 0 N-CA-C 107.702 -1.221 . . . . 0.4 107.702 177.279 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.408 ' O ' ' HG ' ' B' ' 17' ' ' LEU . 29.3 mt -67.3 -50.02 61.9 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.455 -0.793 . . . . 0.67 109.211 176.42 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . 0.447 ' HA ' HD12 ' B' ' 17' ' ' LEU . 96.2 m -56.63 -54.44 46.0 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.94 -0.573 . . . . 0.55 111.721 178.784 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.669 ' HA ' HD23 ' B' ' 18' ' ' LEU . 87.1 t -58.68 -44.76 90.54 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.168 0 O-C-N 122.079 -0.388 . . . . 0.48 110.74 178.798 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . 0.523 ' O ' HG23 ' B' ' 20' ' ' ILE . 45.7 t80 -53.42 -40.86 65.48 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 108.967 -0.753 . . . . 0.84 108.967 178.299 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.563 ' HA ' HG12 ' B' ' 20' ' ' ILE . 21.1 mt -68.69 -34.85 76.36 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.876 -0.602 . . . . 0.76 111.067 177.789 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.669 HD23 ' HA ' ' B' ' 15' ' ' VAL . 0.2 OUTLIER -64.89 -48.29 74.77 Favored 'General case' 0 N--CA 1.423 -1.794 0 CA-C-O 121.61 0.719 . . . . 0.55 109.936 179.731 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.564 HD12 ' N ' ' B' ' 20' ' ' ILE . 1.4 pp -65.99 -52.43 49.48 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 115.06 -0.973 . . . . 0.46 111.555 -179.555 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . 0.564 ' N ' HD12 ' B' ' 19' ' ' LEU . 32.0 pt -55.7 -25.5 18.43 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-N 118.703 0.683 . . . . 0.62 109.994 177.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . 0.464 ' HB2' ' O ' ' B' ' 18' ' ' LEU . 31.1 m -73.68 -55.91 5.67 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.849 -0.614 . . . . 0.6 110.824 177.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.444 -0.772 0 CA-C-N 115.512 -0.767 . . . . 0.75 110.969 -179.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 15.1 ptp . . . . . 0 N--CA 1.469 0.517 0 N-CA-C 112.82 0.674 . . . . 1.5 112.82 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 6.0 t -57.22 -38.39 73.67 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 111.923 0.342 . . . . 0.93 111.923 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 89.1 mt -68.49 -44.42 74.78 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-O 121.24 0.543 . . . . 0.91 110.887 179.367 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' CYS . . . . . 0.618 ' O ' ' HG ' ' B' ' 10' ' ' LEU . 35.1 m -64.31 -51.31 64.09 Favored 'General case' 0 C--O 1.22 -0.494 0 N-CA-C 112.259 0.466 . . . . 0.55 112.259 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . 0.463 ' O ' ' HG ' ' B' ' 11' ' ' LEU . 8.7 tp -58.12 -37.85 64.42 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.426 0 N-CA-C 109.413 -0.588 . . . . 0.67 109.413 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 9.0 p -62.78 -26.18 68.59 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 108.939 -0.763 . . . . 0.64 108.939 176.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 1.7 t -87.71 -33.02 6.39 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.829 0 C-N-CA 120.463 -0.495 . . . . 0.6 111.525 178.633 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.618 ' HG ' ' O ' ' B' ' 6' ' ' CYS . 14.3 mt -64.85 -34.25 77.93 Favored 'General case' 0 CA--C 1.508 -0.654 0 N-CA-C 107.432 -1.321 . . . . 0.48 107.432 177.666 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' B' ' 7' ' ' ILE . 4.1 pp -83.35 -34.32 25.65 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 114.258 -1.337 . . . . 0.64 110.406 177.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.04 -38.62 83.3 Favored 'General case' 0 CA--C 1.513 -0.469 0 N-CA-C 107.637 -1.246 . . . . 0.59 107.637 177.298 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.403 ' O ' ' HG ' ' B' ' 17' ' ' LEU . 27.8 mt -67.32 -50.41 60.23 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.518 -0.765 . . . . 0.65 109.074 176.53 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . 0.418 ' HB ' ' HA ' ' B' ' 11' ' ' LEU . 94.2 m -55.56 -55.02 36.82 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 115.79 -0.641 . . . . 1.02 111.65 178.763 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.684 ' HA ' HD23 ' B' ' 18' ' ' LEU . 91.8 t -59.22 -44.89 92.98 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.266 0 O-C-N 122.093 -0.379 . . . . 0.74 110.767 178.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . 0.479 ' CD1' HD11 ' B' ' 19' ' ' LEU . 46.7 t80 -53.71 -37.76 63.61 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.426 0.632 . . . . 0.99 109.419 178.264 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.599 ' HA ' HG22 ' B' ' 20' ' ' ILE . 21.1 mt -72.27 -33.68 67.64 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.009 -0.541 . . . . 0.72 110.977 177.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.684 HD23 ' HA ' ' B' ' 15' ' ' VAL . 0.2 OUTLIER -66.07 -48.72 70.06 Favored 'General case' 0 N--CA 1.426 -1.635 0 CA-C-O 121.776 0.798 . . . . 0.74 109.768 179.682 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.592 HD12 ' N ' ' B' ' 20' ' ' ILE . 2.6 pp -67.68 -44.55 77.53 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 114.639 -1.164 . . . . 0.74 110.943 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . 0.599 HG22 ' HA ' ' B' ' 17' ' ' LEU . 3.7 tp -64.37 -21.44 29.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 121.373 0.606 . . . . 0.89 109.977 178.109 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . 0.569 ' HB2' ' O ' ' B' ' 17' ' ' LEU . 8.2 t -77.15 -59.07 2.93 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.461 -0.791 . . . . 0.76 111.52 179.543 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 4.7 mptp? . . . . . 0 N--CA 1.439 -1.025 0 CA-C-N 115.486 -0.779 . . . . 2.11 111.645 -178.905 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 15.4 ptm . . . . . 0 CA--C 1.542 0.669 0 N-CA-C 113.666 0.987 . . . . 0.76 113.666 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 88.8 m -54.62 -46.97 73.95 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 112.087 0.403 . . . . 0.74 112.087 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 94.0 mt -59.26 -42.55 91.42 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.184 0.516 . . . . 0.89 111.087 179.673 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 6' ' ' CYS . . . . . 0.605 ' O ' ' HG ' ' B' ' 10' ' ' LEU . 31.7 m -65.46 -50.85 63.82 Favored 'General case' 0 C--O 1.219 -0.529 0 CA-C-N 116.154 -0.475 . . . . 0.44 111.717 179.659 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . 0.429 ' O ' ' HG ' ' B' ' 11' ' ' LEU . 0.4 OUTLIER -58.65 -36.04 58.16 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 N-CA-C 108.428 -0.953 . . . . 0.71 108.428 179.51 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 47.6 t -61.19 -28.68 69.31 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 109.097 -0.705 . . . . 0.44 109.097 176.079 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 1.5 t -88.26 -31.52 5.71 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.825 0 C-N-CA 120.404 -0.518 . . . . 0.52 111.397 178.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.605 ' HG ' ' O ' ' B' ' 6' ' ' CYS . 14.4 mt -64.39 -34.46 78.22 Favored 'General case' 0 CA--C 1.509 -0.616 0 N-CA-C 107.438 -1.319 . . . . 0.53 107.438 177.578 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.922 ' HA ' HG22 ' B' ' 14' ' ' THR . 3.9 pp -82.56 -36.44 26.27 Favored 'General case' 0 N--CA 1.441 -0.921 0 CA-C-N 113.96 -1.473 . . . . 0.39 110.361 178.043 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.7 -37.43 76.09 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 107.784 -1.191 . . . . 0.34 107.784 177.396 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 33.7 mt -67.54 -55.41 13.6 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.573 -0.74 . . . . 0.63 110.242 176.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . 0.922 HG22 ' HA ' ' B' ' 11' ' ' LEU . 5.8 t -59.23 -45.47 91.05 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 111.823 0.305 . . . . 0.52 111.823 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.598 ' HA ' HD23 ' B' ' 18' ' ' LEU . 76.1 t -62.08 -45.5 98.59 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.064 0 O-C-N 121.642 -0.661 . . . . 0.4 110.096 178.227 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . 0.478 ' CD1' HD11 ' B' ' 19' ' ' LEU . 49.9 t80 -54.82 -35.62 64.12 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 108.808 -0.812 . . . . 1.05 108.808 177.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.63 HD12 ' HA ' ' B' ' 14' ' ' THR . 21.5 mt -72.95 -33.62 66.02 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.975 -0.557 . . . . 0.67 111.056 177.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.598 HD23 ' HA ' ' B' ' 15' ' ' VAL . 0.2 OUTLIER -65.56 -49.69 67.94 Favored 'General case' 0 N--CA 1.424 -1.76 0 CA-C-O 121.636 0.731 . . . . 0.47 109.522 179.711 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.622 HD12 ' N ' ' B' ' 20' ' ' ILE . 2.1 pp -67.26 -48.83 66.55 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 114.917 -1.038 . . . . 0.47 110.987 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . 0.622 ' N ' HD12 ' B' ' 19' ' ' LEU . 4.6 tp -54.82 -27.74 19.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 109.705 -0.48 . . . . 0.61 109.705 177.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . 0.45 ' HB2' ' O ' ' B' ' 18' ' ' LEU . 43.7 m -74.64 -51.92 13.11 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 115.753 -0.658 . . . . 0.47 110.477 177.612 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 14.3 tptt . . . . . 0 N--CA 1.444 -0.748 0 CA-C-N 115.16 -0.927 . . . . 1.02 110.09 179.625 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 18.1 ptm . . . . . 0 N--CA 1.466 0.357 0 N-CA-C 111.916 0.339 . . . . 1.04 111.916 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 7.1 t -57.68 -35.44 70.6 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 112.347 0.499 . . . . 0.55 112.347 -179.345 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 95.1 mt -70.52 -44.4 67.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.953 0.406 . . . . 0.71 111.251 179.591 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 6' ' ' CYS . . . . . . . . . . . . . 39.8 m -64.08 -49.02 73.9 Favored 'General case' 0 C--O 1.221 -0.4 0 N-CA-C 112.467 0.543 . . . . 0.56 112.467 -179.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . 0.567 HD12 HD11 ' B' ' 10' ' ' LEU . 5.3 tp -58.06 -41.7 81.12 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.498 0 N-CA-C 108.562 -0.903 . . . . 0.62 108.562 179.488 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 66.5 m -61.79 -27.07 68.49 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.839 -0.619 . . . . 0.41 109.834 176.541 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 2.1 t -88.47 -34.88 7.35 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.901 0 O-C-N 121.851 -0.531 . . . . 0.56 112.409 179.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.567 HD11 HD12 ' B' ' 7' ' ' ILE . 4.4 pp -68.65 -29.06 67.46 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 107.682 -1.229 . . . . 0.53 107.682 178.042 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' B' ' 7' ' ' ILE . 4.3 pp -83.65 -34.85 24.93 Favored 'General case' 0 N--CA 1.443 -0.805 0 CA-C-N 115.381 -0.827 . . . . 0.37 109.788 176.69 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' ALA . . . . . 0.462 ' N ' HD12 ' B' ' 11' ' ' LEU . . . -59.94 -39.14 84.53 Favored 'General case' 0 CA--C 1.512 -0.503 0 N-CA-C 107.725 -1.213 . . . . 0.44 107.725 177.399 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.414 ' O ' ' HG ' ' B' ' 17' ' ' LEU . 30.0 mt -66.25 -49.75 66.11 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.477 -0.783 . . . . 0.66 109.32 176.439 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . 0.437 ' HA ' HD12 ' B' ' 17' ' ' LEU . 98.3 m -57.12 -54.7 43.79 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.912 -0.586 . . . . 0.4 111.829 178.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.657 ' HA ' HD23 ' B' ' 18' ' ' LEU . 83.6 t -58.49 -44.55 89.26 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.169 0 O-C-N 122.104 -0.372 . . . . 0.45 110.846 178.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . 0.489 ' O ' HG23 ' B' ' 20' ' ' ILE . 48.7 t80 -53.24 -41.25 65.24 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.095 -0.706 . . . . 0.85 109.095 178.194 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.615 ' O ' ' HB2' ' B' ' 21' ' ' SER . 22.6 mt -68.15 -34.48 76.42 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.89 -0.596 . . . . 0.53 111.176 177.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.657 HD23 ' HA ' ' B' ' 15' ' ' VAL . 0.2 OUTLIER -65.49 -48.12 73.69 Favored 'General case' 0 N--CA 1.423 -1.777 0 CA-C-O 121.625 0.726 . . . . 0.47 110.046 179.819 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.549 HD12 HG23 ' B' ' 20' ' ' ILE . 1.6 pp -66.38 -49.54 66.5 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 114.899 -1.046 . . . . 0.53 111.649 -179.327 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . 0.551 HG12 ' HA ' ' B' ' 17' ' ' LEU . 32.1 pt -61.81 -23.2 30.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 C-N-CA 120.215 -0.594 . . . . 0.56 109.968 177.667 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . 0.615 ' HB2' ' O ' ' B' ' 17' ' ' LEU . 7.9 t -71.32 -61.83 1.63 Allowed 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.578 -0.737 . . . . 0.42 111.076 179.426 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 1.1 tptm . . . . . 0 N--CA 1.444 -0.757 0 CA-C-N 115.221 -0.899 . . . . 0.91 111.306 -179.403 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 19.8 ptp . . . . . 0 CA--C 1.537 0.474 0 N-CA-C 112.272 0.471 . . . . 1.13 112.272 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 20.7 m -58.18 -46.9 84.94 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-O 120.887 0.375 . . . . 0.8 111.739 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.785 HD23 ' H ' ' B' ' 5' ' ' LEU . 0.9 OUTLIER -66.53 -38.13 86.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.969 0.414 . . . . 0.97 110.97 179.133 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 6' ' ' CYS . . . . . 0.595 ' O ' ' HG ' ' B' ' 10' ' ' LEU . 30.8 m -65.57 -52.6 51.01 Favored 'General case' 0 C--O 1.22 -0.484 0 N-CA-C 112.277 0.473 . . . . 0.68 112.277 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . 0.425 ' O ' ' HG ' ' B' ' 11' ' ' LEU . 15.3 tt -59.49 -35.52 59.38 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.524 0 N-CA-C 108.925 -0.769 . . . . 0.64 108.925 179.586 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 43.7 t -61.95 -28.22 69.39 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 108.792 -0.818 . . . . 0.61 108.792 175.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 1.5 t -87.13 -31.9 6.17 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.747 0 C-N-CA 120.474 -0.49 . . . . 0.69 111.422 178.649 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.595 ' HG ' ' O ' ' B' ' 6' ' ' CYS . 14.3 mt -64.83 -34.49 78.5 Favored 'General case' 0 CA--C 1.509 -0.61 0 N-CA-C 107.496 -1.298 . . . . 0.65 107.496 177.659 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' B' ' 7' ' ' ILE . 4.0 pp -83.01 -34.48 26.29 Favored 'General case' 0 C--O 1.213 -0.824 0 CA-C-N 114.06 -1.427 . . . . 0.53 110.235 178.095 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.02 -38.66 83.33 Favored 'General case' 0 CA--C 1.515 -0.393 0 N-CA-C 107.756 -1.201 . . . . 0.44 107.756 177.253 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 29.9 mt -66.64 -50.48 62.81 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.346 -0.843 . . . . 0.75 109.441 176.531 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 89.8 m -57.49 -54.32 48.17 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.881 -0.6 . . . . 0.72 111.66 178.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.678 HG13 HD23 ' B' ' 18' ' ' LEU . 54.6 t -56.71 -47.97 81.63 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.153 0 O-C-N 122.21 -0.306 . . . . 0.52 110.542 178.656 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . 0.488 ' O ' HG12 ' B' ' 20' ' ' ILE . 28.0 t80 -51.93 -42.85 63.14 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.281 -0.637 . . . . 0.83 109.281 178.49 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 24.1 mt -68.01 -26.68 66.02 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 116.126 -0.488 . . . . 0.72 111.064 177.596 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.678 HD23 HG13 ' B' ' 15' ' ' VAL . 0.1 OUTLIER -64.61 -53.97 39.31 Favored 'General case' 0 N--CA 1.416 -2.152 0 N-CA-C 109.223 -0.658 . . . . 0.65 109.223 179.053 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.763 HD13 ' H ' ' B' ' 19' ' ' LEU . 0.0 OUTLIER -70.14 -36.07 74.5 Favored 'General case' 0 C--O 1.217 -0.616 0 C-N-CA 118.124 -1.43 . . . . 0.47 111.285 179.786 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . 0.608 ' N ' HD22 ' B' ' 19' ' ' LEU . 13.6 mm -55.81 -33.37 34.32 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 N-CA-C 108.833 -0.802 . . . . 0.57 108.833 176.218 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . 0.402 ' HB2' ' O ' ' B' ' 18' ' ' LEU . 73.2 m -72.93 -49.06 31.76 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 115.003 -0.999 . . . . 0.68 110.466 177.751 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 6.9 tptp . . . . . 0 N--CA 1.445 -0.712 0 CA-C-N 115.006 -0.997 . . . . 1.27 110.08 179.801 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 15.5 ptm . . . . . 0 N--CA 1.467 0.413 0 CA-C-O 120.884 0.373 . . . . 0.86 111.745 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 11.6 t -57.89 -37.16 73.48 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 115.995 -0.548 . . . . 0.72 112.267 -179.411 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 94.8 mt -70.41 -43.5 69.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.017 0.436 . . . . 0.94 111.153 179.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 6' ' ' CYS . . . . . . . . . . . . . 35.9 m -63.47 -49.46 73.53 Favored 'General case' 0 C--O 1.222 -0.357 0 N-CA-C 112.596 0.591 . . . . 0.57 112.596 -179.61 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . 0.628 ' HA ' ' HG ' ' B' ' 10' ' ' LEU . 14.0 tt -60.26 -38.61 78.02 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.564 0 N-CA-C 108.806 -0.812 . . . . 0.61 108.806 179.596 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 67.6 m -61.57 -26.96 68.29 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 109.187 -0.671 . . . . 0.4 109.187 176.107 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 2.1 t -88.06 -34.46 7.23 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.922 0 C-N-CA 120.447 -0.501 . . . . 0.57 112.051 179.191 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.628 ' HG ' ' HA ' ' B' ' 7' ' ' ILE . 4.7 pp -68.35 -28.7 67.37 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 107.839 -1.171 . . . . 0.62 107.839 178.069 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' B' ' 7' ' ' ILE . 4.1 pp -84.67 -34.84 22.93 Favored 'General case' 0 N--CA 1.442 -0.836 0 CA-C-N 115.533 -0.758 . . . . 0.4 109.763 176.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' ALA . . . . . 0.443 ' N ' HD12 ' B' ' 11' ' ' LEU . . . -59.72 -39.19 83.83 Favored 'General case' 0 CA--C 1.513 -0.472 0 N-CA-C 107.645 -1.242 . . . . 0.34 107.645 177.318 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.422 ' O ' ' HG ' ' B' ' 17' ' ' LEU . 32.5 mt -66.52 -50.28 63.75 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.418 -0.81 . . . . 0.72 109.25 176.526 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . 0.456 ' HA ' HD12 ' B' ' 17' ' ' LEU . 94.6 m -56.4 -54.46 45.35 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.988 -0.551 . . . . 0.59 111.876 178.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.604 ' HA ' HD23 ' B' ' 18' ' ' LEU . 82.3 t -59.28 -44.07 91.35 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.184 0 O-C-N 122.123 -0.361 . . . . 0.38 110.921 178.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . 0.549 ' O ' HG23 ' B' ' 20' ' ' ILE . 23.9 t80 -53.93 -40.22 66.55 Favored 'General case' 0 C--O 1.225 -0.232 0 N-CA-C 108.819 -0.808 . . . . 2.07 108.819 178.419 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.597 ' HA ' HG12 ' B' ' 20' ' ' ILE . 22.8 mt -68.77 -35.4 77.02 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.766 -0.652 . . . . 0.79 111.003 177.553 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.604 HD23 ' HA ' ' B' ' 15' ' ' VAL . 0.1 OUTLIER -63.56 -48.96 75.31 Favored 'General case' 0 N--CA 1.422 -1.834 0 CA-C-O 121.532 0.682 . . . . 0.51 109.787 179.685 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.564 HD12 ' N ' ' B' ' 20' ' ' ILE . 1.7 pp -66.42 -50.9 61.85 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 115.175 -0.921 . . . . 0.37 111.925 -179.498 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . 0.597 HG12 ' HA ' ' B' ' 17' ' ' LEU . 33.6 pt -54.88 -26.98 18.1 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-N 118.989 0.813 . . . . 0.64 109.765 177.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . 0.425 ' HB2' ' O ' ' B' ' 18' ' ' LEU . 69.7 m -75.09 -51.78 12.64 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.56 -0.745 . . . . 0.67 110.266 177.308 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . 0.549 ' HD2' ' HA ' ' B' ' 19' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.447 -0.583 0 CA-C-N 115.447 -0.797 . . . . 0.69 111.976 -179.786 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 17.4 ptp . . . . . 0 CA--C 1.538 0.504 0 N-CA-C 112.193 0.442 . . . . 1.65 112.193 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 5.7 t -56.97 -38.82 73.54 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 120.934 0.397 . . . . 1.05 111.88 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 89.4 mt -69.37 -41.54 76.4 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 121.134 0.493 . . . . 0.98 110.691 179.004 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 6' ' ' CYS . . . . . 0.614 ' O ' ' HG ' ' B' ' 10' ' ' LEU . 20.4 m -64.16 -52.64 58.04 Favored 'General case' 0 C--O 1.222 -0.385 0 CA-C-N 115.984 -0.553 . . . . 0.54 112.247 -179.795 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . 0.463 ' O ' ' HG ' ' B' ' 11' ' ' LEU . 7.9 tp -58.05 -36.69 57.79 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.444 0 N-CA-C 108.886 -0.783 . . . . 0.92 108.886 179.605 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 71.3 m -61.68 -28.16 69.2 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 109.273 -0.64 . . . . 0.85 109.273 176.146 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 1.8 t -87.43 -32.56 6.31 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.807 0 C-N-CA 120.439 -0.504 . . . . 0.7 111.387 178.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.614 ' HG ' ' O ' ' B' ' 6' ' ' CYS . 14.2 mt -64.99 -34.06 77.53 Favored 'General case' 0 CA--C 1.509 -0.632 0 N-CA-C 107.545 -1.279 . . . . 0.78 107.545 177.664 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' B' ' 7' ' ' ILE . 4.1 pp -83.15 -34.73 25.97 Favored 'General case' 0 C--O 1.213 -0.82 0 CA-C-N 114.132 -1.395 . . . . 0.83 110.265 178.115 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.9 -39.41 85.27 Favored 'General case' 0 CA--C 1.515 -0.386 0 N-CA-C 107.528 -1.286 . . . . 0.61 107.528 177.288 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.411 ' O ' ' HG ' ' B' ' 17' ' ' LEU . 30.0 mt -65.77 -50.54 64.37 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.449 -0.796 . . . . 0.74 109.295 176.492 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . 0.498 ' HA ' HD12 ' B' ' 17' ' ' LEU . 93.9 m -56.85 -54.28 48.23 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.916 -0.584 . . . . 0.7 112.031 178.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.578 ' HA ' HD23 ' B' ' 18' ' ' LEU . 82.2 t -58.51 -46.03 89.95 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.143 0 O-C-N 122.057 -0.402 . . . . 0.75 110.958 179.141 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . 0.557 ' O ' HG23 ' B' ' 20' ' ' ILE . 2.9 m-30 -54.24 -39.95 67.28 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-O 121.435 0.636 . . . . 1.07 109.299 178.136 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.593 ' HA ' HG12 ' B' ' 20' ' ' ILE . 22.9 mt -66.69 -35.23 79.63 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.123 -0.49 . . . . 0.66 110.981 177.503 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.578 HD23 ' HA ' ' B' ' 15' ' ' VAL . 0.2 OUTLIER -63.72 -49.71 72.02 Favored 'General case' 0 N--CA 1.423 -1.791 0 CA-C-O 121.445 0.64 . . . . 0.8 110.146 179.845 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.529 HD12 HG23 ' B' ' 20' ' ' ILE . 1.4 pp -66.37 -44.9 81.87 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.003 -0.998 . . . . 0.79 112.401 -179.246 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . 0.593 HG12 ' HA ' ' B' ' 17' ' ' LEU . 33.5 pt -64.96 -21.87 30.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 C-N-CA 120.251 -0.58 . . . . 0.68 110.068 178.061 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 75.4 m -86.99 -55.66 3.73 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 115.935 -0.575 . . . . 0.49 112.062 179.696 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 12.7 mptt . . . . . 0 N--CA 1.448 -0.548 0 CA-C-N 115.986 -0.552 . . . . 1.35 112.331 -178.611 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' GLU . . . . . 1.037 ' HB2' ' HB ' ' B' ' 4' ' ' THR . 2.6 mp0 . . . . . 0 N--CA 1.495 1.78 0 CA-C-O 121.005 0.431 . . . . 0.87 111.326 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 57.7 pttt -63.51 -21.7 66.47 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.244 -0.889 . . . . 1.66 111.485 179.273 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 12.0 ptt? -131.58 25.19 4.76 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.841 -0.618 . . . . 1.1 111.53 -179.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . 1.037 ' HB ' ' HB2' ' B' ' 1' ' ' GLU . 12.3 t -56.86 -38.18 72.35 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 115.988 -0.551 . . . . 0.55 112.197 -179.306 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 93.7 mt -69.72 -43.74 71.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.895 0.379 . . . . 0.67 111.298 179.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' CYS . . . . . . . . . . . . . 28.5 m -63.88 -50.53 68.42 Favored 'General case' 0 C--O 1.223 -0.336 0 N-CA-C 112.6 0.593 . . . . 0.53 112.6 -179.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . 0.621 ' HA ' ' HG ' ' B' ' 10' ' ' LEU . 14.9 tt -60.05 -38.82 78.36 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.5 0 N-CA-C 108.809 -0.811 . . . . 0.54 108.809 179.646 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 36.9 t -61.22 -26.8 67.98 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 108.944 -0.761 . . . . 0.5 108.944 176.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 1.8 t -88.82 -34.7 7.11 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.853 0 O-C-N 121.962 -0.461 . . . . 0.46 112.238 179.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.621 ' HG ' ' HA ' ' B' ' 7' ' ' ILE . 4.7 pp -67.77 -28.87 67.98 Favored 'General case' 0 C--O 1.238 0.468 0 N-CA-C 107.88 -1.156 . . . . 0.48 107.88 177.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.898 ' HA ' HG22 ' B' ' 14' ' ' THR . 4.1 pp -84.56 -35.61 22.69 Favored 'General case' 0 N--CA 1.439 -0.995 0 CA-C-N 115.204 -0.907 . . . . 0.42 109.967 176.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . 0.449 ' N ' HD12 ' B' ' 11' ' ' LEU . . . -59.26 -38.26 79.64 Favored 'General case' 0 CA--C 1.514 -0.404 0 N-CA-C 107.685 -1.228 . . . . 0.32 107.685 177.326 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.407 ' O ' ' HG ' ' B' ' 17' ' ' LEU . 32.1 mt -66.97 -54.32 23.03 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.439 -0.8 . . . . 0.41 110.309 176.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . 0.898 HG22 ' HA ' ' B' ' 11' ' ' LEU . 4.4 t -59.96 -45.93 91.06 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 111.832 0.308 . . . . 0.41 111.832 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.571 ' HA ' HD23 ' B' ' 18' ' ' LEU . 71.4 t -62.18 -44.82 99.53 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.168 0 O-C-N 121.557 -0.714 . . . . 0.4 110.078 178.427 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . 0.544 ' O ' HG23 ' B' ' 20' ' ' ILE . 49.0 t80 -54.42 -38.42 66.24 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 108.557 -0.905 . . . . 0.64 108.557 177.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.705 HD12 ' HA ' ' B' ' 14' ' ' THR . 21.4 mt -69.03 -35.46 76.65 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.828 -0.623 . . . . 0.44 111.096 177.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.581 HD12 ' C ' ' B' ' 18' ' ' LEU . 0.2 OUTLIER -63.95 -49.07 74.02 Favored 'General case' 0 N--CA 1.422 -1.859 0 CA-C-O 121.393 0.616 . . . . 0.43 109.977 179.708 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.864 ' O ' HG12 ' B' ' 23' ' ' ILE . 1.8 pp -66.7 -49.43 66.1 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.099 -0.955 . . . . 0.37 112.167 -179.232 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . 0.576 ' N ' HD12 ' B' ' 19' ' ' LEU . 36.4 pt -56.41 -27.3 24.32 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 CA-C-N 118.811 0.732 . . . . 0.37 109.327 177.722 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 64.0 m -76.43 -53.15 8.53 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.489 -0.778 . . . . 0.35 109.836 177.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . 0.411 ' HA ' ' HD2' ' B' ' 22' ' ' LYS . 7.3 tptp -58.16 -27.05 63.45 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.19 -0.914 . . . . 0.57 112.383 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.864 HG12 ' O ' ' B' ' 19' ' ' LEU . 10.8 mm -41.48 -50.57 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 N-CA-C 113.25 0.833 . . . . 0.45 113.25 -179.59 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.946 ' HB ' ' HD3' ' B' ' 25' ' ' PRO . 40.6 t -70.55 -63.6 1.6 Allowed Pre-proline 0 CA--C 1.543 0.701 0 N-CA-C 111.766 0.284 . . . . 0.63 111.766 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . 0.946 ' HD3' ' HB ' ' B' ' 24' ' ' VAL . 66.6 Cg_endo -99.13 95.91 0.06 OUTLIER 'Trans proline' 0 C--N 1.356 0.927 0 C-N-CA 123.293 2.662 . . . . 0.46 112.684 179.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' PRO . . . . . 0.614 ' HD3' ' O ' ' B' ' 24' ' ' VAL . 5.2 Cg_exo -77.37 -61.91 0.03 OUTLIER 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.539 2.159 . . . . 0.63 112.889 -179.624 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 51.1 p -78.88 58.07 2.28 Favored 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 112.438 0.532 . . . . 0.87 112.438 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . 0.483 ' OG ' ' HB2' ' B' ' 25' ' ' PRO . 83.8 p . . . . . 0 C--O 1.253 1.263 0 CA-C-O 117.955 -1.021 . . . . 1.29 111.043 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 16.7 pm0 . . . . . 0 N--CA 1.489 1.519 0 CA-C-O 121.016 0.436 . . . . 0.99 111.482 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 59.4 pttt -67.69 -23.25 65.28 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.38 0.609 . . . . 1.76 110.538 179.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 22.4 ptt? -88.58 15.42 8.08 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 115.491 -0.777 . . . . 0.99 111.784 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 6.3 t -57.62 -35.05 69.95 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 112.505 0.558 . . . . 0.67 112.505 -178.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 95.6 mt -68.5 -41.98 79.26 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-O 121.423 0.63 . . . . 0.93 110.802 179.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' CYS . . . . . . . . . . . . . 44.8 m -65.94 -49.72 66.95 Favored 'General case' 0 C--O 1.221 -0.395 0 CA-C-N 115.8 -0.636 . . . . 0.66 112.434 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . 0.645 ' HA ' ' HG ' ' B' ' 10' ' ' LEU . 19.0 tt -60.17 -36.69 69.71 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.411 0 N-CA-C 109.008 -0.738 . . . . 1.45 109.008 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 69.6 m -62.33 -28.11 69.52 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 108.957 -0.757 . . . . 0.54 108.957 175.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 2.0 t -87.09 -33.81 7.13 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.958 0 C-N-CA 120.5 -0.48 . . . . 0.72 111.905 179.055 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.645 ' HG ' ' HA ' ' B' ' 7' ' ' ILE . 4.6 pp -68.68 -28.97 67.33 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 107.851 -1.166 . . . . 0.67 107.851 177.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' B' ' 7' ' ' ILE . 4.2 pp -84.51 -34.21 23.37 Favored 'General case' 0 N--CA 1.442 -0.856 0 CA-C-N 115.425 -0.807 . . . . 0.49 109.802 176.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . 0.429 ' N ' HD12 ' B' ' 11' ' ' LEU . . . -60.13 -39.53 86.62 Favored 'General case' 0 CA--C 1.512 -0.485 0 N-CA-C 107.527 -1.286 . . . . 0.47 107.527 177.215 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 30.7 mt -66.15 -50.0 65.5 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.475 -0.784 . . . . 0.75 109.352 176.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 99.3 m -56.83 -54.78 42.45 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.983 -0.553 . . . . 0.72 111.839 178.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.674 ' HA ' HD23 ' B' ' 18' ' ' LEU . 77.7 t -58.43 -44.67 89.3 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.15 0 O-C-N 122.212 -0.305 . . . . 0.55 110.809 178.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . 0.469 ' CD1' HD11 ' B' ' 19' ' ' LEU . 42.2 t80 -53.95 -40.05 66.48 Favored 'General case' 0 C--O 1.223 -0.314 0 N-CA-C 109.197 -0.668 . . . . 0.73 109.197 178.434 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 21.6 mt -70.71 -32.02 69.07 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.101 -0.499 . . . . 0.77 111.186 177.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.674 HD23 ' HA ' ' B' ' 15' ' ' VAL . 0.1 OUTLIER -66.32 -49.08 68.24 Favored 'General case' 0 N--CA 1.424 -1.76 0 CA-C-O 121.618 0.723 . . . . 0.71 109.548 179.667 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.782 ' O ' HG13 ' B' ' 23' ' ' ILE . 1.6 pp -66.58 -48.24 70.21 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.011 -0.995 . . . . 0.47 110.31 179.652 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . 0.563 ' N ' HD12 ' B' ' 19' ' ' LEU . 11.9 mm -52.45 -31.51 15.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.373 0.606 . . . . 0.64 109.401 176.657 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . 0.501 ' HB2' ' O ' ' B' ' 18' ' ' LEU . 58.6 m -72.99 -51.43 18.3 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.373 -0.83 . . . . 0.73 111.001 177.694 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 6.5 tptp -59.65 -38.47 81.49 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 115.751 -0.659 . . . . 1.5 110.2 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.782 HG13 ' O ' ' B' ' 19' ' ' LEU . 26.6 mt -71.63 -50.67 37.75 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 CA-C-N 115.823 -0.626 . . . . 0.8 111.962 179.454 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.473 ' HA ' ' HD3' ' B' ' 25' ' ' PRO . 43.8 t -116.64 112.58 40.83 Favored Pre-proline 0 CA--C 1.533 0.294 0 CA-C-O 120.88 0.371 . . . . 1.05 111.008 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . 0.473 ' HD3' ' HA ' ' B' ' 24' ' ' VAL . 7.1 Cg_exo -74.46 127.16 10.83 Favored 'Trans proline' 0 CA--C 1.532 0.387 0 C-N-CA 123.028 2.485 . . . . 0.98 112.871 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -63.11 -42.3 23.98 Favored 'Trans proline' 0 CA--C 1.533 0.444 0 C-N-CA 122.194 1.93 . . . . 1.94 112.342 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 81.9 p -76.75 -37.09 56.56 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.407 -0.36 . . . . 1.95 111.207 179.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 41.3 t . . . . . 0 C--O 1.253 1.269 0 CA-C-N 115.413 -0.812 . . . . 2.51 111.777 -178.891 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 17.3 pm0 . . . . . 0 N--CA 1.488 1.464 0 CA-C-O 120.962 0.41 . . . . 1.05 111.28 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -67.9 -23.16 65.08 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.29 0.567 . . . . 1.71 110.592 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 15.0 ptp -90.38 19.12 5.43 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 115.564 -0.744 . . . . 1.2 111.613 179.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 5.6 t -57.89 -34.91 70.29 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 112.302 0.482 . . . . 0.85 112.302 -179.009 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 95.9 mt -71.11 -39.71 71.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.392 0.615 . . . . 1.08 110.444 178.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' CYS . . . . . 0.627 ' O ' ' HG ' ' B' ' 10' ' ' LEU . 20.9 m -65.04 -52.07 57.94 Favored 'General case' 0 C--O 1.218 -0.6 0 CA-C-N 115.823 -0.626 . . . . 0.67 111.96 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . 0.456 ' O ' ' HG ' ' B' ' 11' ' ' LEU . 1.3 tp -56.91 -37.32 53.62 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 N-CA-C 108.717 -0.845 . . . . 1.19 108.717 179.347 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 67.0 m -61.49 -29.04 69.72 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 109.42 -0.585 . . . . 0.48 109.42 176.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 1.8 t -87.3 -32.19 6.22 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.836 0 O-C-N 121.845 -0.535 . . . . 0.63 111.432 178.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.627 ' HG ' ' O ' ' B' ' 6' ' ' CYS . 13.6 mt -64.88 -34.53 78.6 Favored 'General case' 0 CA--C 1.507 -0.693 0 N-CA-C 107.406 -1.331 . . . . 0.5 107.406 177.533 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' B' ' 7' ' ' ILE . 4.1 pp -82.91 -34.38 26.63 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 114.212 -1.358 . . . . 0.42 110.388 178.136 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.94 -39.06 84.25 Favored 'General case' 0 CA--C 1.512 -0.483 0 N-CA-C 107.544 -1.28 . . . . 0.49 107.544 177.115 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 28.2 mt -66.07 -50.85 62.67 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.563 -0.744 . . . . 0.69 109.221 176.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 92.4 m -56.11 -54.41 45.4 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.88 -0.6 . . . . 0.59 111.823 178.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.655 ' HA ' HD23 ' B' ' 18' ' ' LEU . 83.1 t -58.45 -46.2 89.66 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.13 0 O-C-N 122.177 -0.327 . . . . 0.54 110.987 178.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . 0.428 ' O ' HG12 ' B' ' 20' ' ' ILE . 3.0 m-30 -54.69 -38.15 66.65 Favored 'General case' 0 C--O 1.221 -0.408 0 CA-C-O 121.416 0.627 . . . . 0.82 109.506 178.268 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 20.6 mt -70.49 -32.26 69.71 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.349 -0.387 . . . . 0.84 110.943 177.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.655 HD23 ' HA ' ' B' ' 15' ' ' VAL . 0.2 OUTLIER -66.35 -48.72 69.3 Favored 'General case' 0 N--CA 1.427 -1.62 0 CA-C-O 121.605 0.717 . . . . 0.69 109.669 179.491 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.506 HD12 ' N ' ' B' ' 20' ' ' ILE . 1.6 pp -67.16 -45.85 75.77 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 114.892 -1.049 . . . . 0.66 110.538 179.784 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . 0.506 ' N ' HD12 ' B' ' 19' ' ' LEU . 13.8 mm -58.55 -27.09 32.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 121.443 0.64 . . . . 0.85 109.496 176.776 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . 0.553 ' O ' HG13 ' B' ' 24' ' ' VAL . 29.8 m -73.22 -61.03 1.96 Allowed 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.634 -0.712 . . . . 0.86 111.562 178.431 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 13.4 tptt -65.21 -41.46 94.45 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.835 -0.62 . . . . 1.42 111.026 -179.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.439 HG13 ' O ' ' B' ' 19' ' ' LEU . 2.4 mt -95.44 60.42 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.953 -0.567 . . . . 0.95 112.238 -179.423 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.553 HG13 ' O ' ' B' ' 21' ' ' SER . 5.7 m -64.74 136.02 96.61 Favored Pre-proline 0 CA--C 1.537 0.467 0 CA-C-O 121.095 0.474 . . . . 1.06 112.078 179.668 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . 0.415 ' HA ' ' HD3' ' B' ' 26' ' ' PRO . 21.2 Cg_exo -66.96 133.23 30.49 Favored 'Trans proline' 0 CA--C 1.535 0.569 0 C-N-CA 122.793 2.329 . . . . 1.2 112.957 -179.707 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' B' ' 25' ' ' PRO . 9.4 Cg_endo -75.44 47.33 1.82 Allowed 'Trans proline' 0 CA--C 1.537 0.664 0 C-N-CA 122.764 2.31 . . . . 1.69 112.954 179.748 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 81.7 p -80.71 72.55 7.67 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.133 0.492 . . . . 2.16 111.655 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 77.1 p . . . . . 0 C--O 1.248 0.978 0 CA-C-O 118.277 -0.868 . . . . 3.93 111.661 -179.557 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' GLU . . . . . 0.775 ' HG2' ' HG2' ' B' ' 2' ' ' LYS . 0.2 OUTLIER . . . . . 0 N--CA 1.493 1.69 0 CA-C-O 119.241 -0.409 . . . . 2.39 111.653 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . 0.775 ' HG2' ' HG2' ' B' ' 1' ' ' GLU . 0.7 OUTLIER 61.87 -51.24 0.14 Allowed 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 124.603 1.161 . . . . 2.1 112.52 -179.874 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . 0.411 ' N ' ' O ' ' B' ' 1' ' ' GLU . 22.5 ptt? -86.19 9.88 16.21 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.444 -0.798 . . . . 1.43 111.456 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 3.3 t -58.63 -41.02 85.0 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.967 -0.561 . . . . 0.66 111.725 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 90.2 mt -68.96 -42.07 77.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.3 0.572 . . . . 0.91 110.667 179.217 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' CYS . . . . . 0.588 ' O ' ' HG ' ' B' ' 10' ' ' LEU . 23.2 m -63.99 -52.0 61.66 Favored 'General case' 0 C--O 1.22 -0.474 0 CA-C-N 115.967 -0.56 . . . . 0.64 112.28 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . 0.437 ' O ' ' HG ' ' B' ' 11' ' ' LEU . 15.1 tt -58.85 -35.58 56.9 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.463 0 N-CA-C 109.065 -0.717 . . . . 0.75 109.065 179.733 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 44.1 t -61.52 -28.14 69.11 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 108.85 -0.796 . . . . 0.58 108.85 175.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 1.6 t -88.08 -32.03 5.93 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.921 0 C-N-CA 120.679 -0.409 . . . . 0.62 111.578 178.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.588 ' HG ' ' O ' ' B' ' 6' ' ' CYS . 14.3 mt -64.39 -34.46 78.22 Favored 'General case' 0 CA--C 1.508 -0.661 0 N-CA-C 107.583 -1.266 . . . . 0.6 107.583 177.651 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' B' ' 7' ' ' ILE . 3.8 pp -83.38 -35.82 24.8 Favored 'General case' 0 N--CA 1.442 -0.832 0 CA-C-N 114.033 -1.44 . . . . 0.54 110.227 177.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . 0.41 ' O ' ' HB2' ' B' ' 16' ' ' PHE . . . -58.67 -37.81 76.83 Favored 'General case' 0 CA--C 1.512 -0.489 0 N-CA-C 107.668 -1.234 . . . . 0.41 107.668 177.484 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 28.2 mt -68.06 -53.38 26.09 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.542 -0.754 . . . . 0.55 109.878 176.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . 0.529 ' HA ' HD12 ' B' ' 17' ' ' LEU . 0.5 OUTLIER -58.04 -46.75 84.82 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 116.517 -0.311 . . . . 1.18 111.571 179.607 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.561 ' HA ' HD23 ' B' ' 18' ' ' LEU . 76.2 t -63.6 -44.85 98.73 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.2 0 O-C-N 121.596 -0.69 . . . . 0.5 110.618 178.631 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . 0.664 ' O ' ' HB ' ' B' ' 20' ' ' ILE . 15.8 t80 -55.13 -35.36 64.61 Favored 'General case' 0 C--O 1.224 -0.274 0 N-CA-C 108.749 -0.834 . . . . 2.05 108.749 178.211 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.529 HD12 ' HA ' ' B' ' 14' ' ' THR . 22.4 mt -74.04 -32.81 63.48 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.914 -0.585 . . . . 0.6 110.972 177.576 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.57 HD12 ' C ' ' B' ' 18' ' ' LEU . 0.2 OUTLIER -64.24 -50.41 68.11 Favored 'General case' 0 N--CA 1.422 -1.86 0 N-CA-C 109.237 -0.653 . . . . 0.54 109.237 179.506 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.753 ' O ' HG13 ' B' ' 23' ' ' ILE . 2.3 pp -68.82 -41.94 77.92 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.142 -0.935 . . . . 0.47 110.786 179.484 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . 0.664 ' HB ' ' O ' ' B' ' 16' ' ' PHE . 1.3 tp -55.79 -28.5 23.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 108.949 -0.76 . . . . 0.77 108.949 177.545 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 69.3 m -83.88 -51.47 7.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.993 -1.003 . . . . 0.48 109.865 177.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 7.2 tptp -57.44 -23.33 48.97 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 114.921 -1.036 . . . . 0.7 112.953 -179.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.753 HG13 ' O ' ' B' ' 19' ' ' LEU . 55.9 mt -41.47 -48.42 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 N-CA-C 112.949 0.722 . . . . 0.77 112.949 -179.633 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.876 ' HB ' ' HD3' ' B' ' 25' ' ' PRO . 40.4 t -75.12 -61.56 0.99 Allowed Pre-proline 0 CA--C 1.547 0.835 0 N-CA-C 112.135 0.42 . . . . 1.09 112.135 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . 0.876 ' HD3' ' HB ' ' B' ' 24' ' ' VAL . 60.7 Cg_endo -90.06 114.16 0.53 Allowed 'Trans proline' 0 C--N 1.357 1.024 0 C-N-CA 122.492 2.128 . . . . 0.74 112.915 179.682 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' B' ' 25' ' ' PRO . 6.0 Cg_exo -77.8 -73.66 0.01 OUTLIER 'Trans proline' 0 CA--C 1.539 0.735 0 C-N-CA 122.9 2.4 . . . . 1.26 114.095 -179.168 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 4.5 t -65.9 -33.9 76.89 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 112.873 0.694 . . . . 2.04 112.873 -178.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 96.1 p . . . . . 0 C--O 1.251 1.18 0 CA-C-O 118.071 -0.966 . . . . 1.18 110.767 -179.708 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 . . . . . 0 N--CA 1.49 1.54 0 CA-C-O 121.067 0.46 . . . . 1.87 111.29 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 19.8 ptpt -88.03 -24.67 23.42 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.632 -0.713 . . . . 2.4 111.383 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 16.4 ptp -100.87 13.81 33.85 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 112.471 0.545 . . . . 2.03 112.471 -179.273 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 6.8 t -57.61 -39.99 78.13 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 111.997 0.369 . . . . 1.17 111.997 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 91.0 mt -69.16 -41.27 77.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.187 0.518 . . . . 1.26 110.628 178.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' CYS . . . . . 0.618 ' O ' ' HG ' ' B' ' 10' ' ' LEU . 34.6 m -65.09 -52.16 57.15 Favored 'General case' 0 C--O 1.219 -0.518 0 CA-C-N 115.946 -0.57 . . . . 0.76 112.252 -179.699 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . 0.469 ' O ' ' HG ' ' B' ' 11' ' ' LEU . 7.8 tp -58.51 -35.83 56.44 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.468 0 N-CA-C 108.686 -0.857 . . . . 0.88 108.686 179.422 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 27.1 t -61.35 -29.65 70.03 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 109.017 -0.734 . . . . 0.93 109.017 176.177 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 1.8 t -87.07 -32.38 6.36 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.795 0 C-N-CA 120.491 -0.483 . . . . 1.05 111.659 178.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.618 ' HG ' ' O ' ' B' ' 6' ' ' CYS . 14.9 mt -64.74 -34.39 78.21 Favored 'General case' 0 CA--C 1.507 -0.684 0 N-CA-C 107.475 -1.306 . . . . 0.96 107.475 177.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' B' ' 7' ' ' ILE . 3.9 pp -82.84 -34.82 26.75 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 114.219 -1.355 . . . . 0.59 110.147 177.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.71 -38.71 82.35 Favored 'General case' 0 CA--C 1.514 -0.411 0 N-CA-C 107.753 -1.203 . . . . 0.83 107.753 177.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 32.0 mt -66.88 -50.89 61.05 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.535 -0.757 . . . . 1.31 109.361 176.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 91.6 m -55.97 -54.45 44.67 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.8 -0.636 . . . . 0.66 111.761 178.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.662 ' HA ' HD23 ' B' ' 18' ' ' LEU . 81.1 t -59.12 -44.67 92.14 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.206 0 O-C-N 122.157 -0.339 . . . . 0.64 110.801 178.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . 0.474 ' CD1' HD11 ' B' ' 19' ' ' LEU . 43.0 t80 -53.8 -39.65 65.67 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-O 121.602 0.715 . . . . 1.59 109.081 178.255 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 21.4 mt -70.94 -32.74 69.72 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.037 -0.529 . . . . 1.2 111.01 177.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.662 HD23 ' HA ' ' B' ' 15' ' ' VAL . 0.1 OUTLIER -65.83 -48.64 70.96 Favored 'General case' 0 N--CA 1.425 -1.68 0 CA-C-O 121.622 0.725 . . . . 0.55 109.708 179.612 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.543 HD12 ' N ' ' B' ' 20' ' ' ILE . 1.8 pp -67.1 -46.27 74.73 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 114.914 -1.039 . . . . 0.97 110.646 179.765 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . 0.543 ' N ' HD12 ' B' ' 19' ' ' LEU . 13.4 mm -57.83 -27.52 30.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.543 0.687 . . . . 1.22 109.68 176.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . 0.51 ' HB2' ' O ' ' B' ' 18' ' ' LEU . 27.6 m -72.98 -59.57 2.64 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.438 -0.801 . . . . 0.68 111.843 178.701 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 12.9 tptt -67.66 -42.04 82.8 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 115.522 -0.763 . . . . 1.47 111.045 -179.018 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.436 HG13 ' O ' ' B' ' 19' ' ' LEU . 3.3 mt -92.15 68.68 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.792 -0.64 . . . . 0.89 111.84 -179.646 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 47.4 t -62.61 123.54 79.56 Favored Pre-proline 0 CA--C 1.534 0.36 0 CA-C-N 116.226 -0.443 . . . . 0.76 111.231 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . 0.424 ' HA ' ' HD3' ' B' ' 26' ' ' PRO . 45.9 Cg_endo -66.31 132.5 29.71 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.506 2.137 . . . . 0.94 112.565 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' B' ' 25' ' ' PRO . 5.2 Cg_exo -68.41 138.94 43.89 Favored 'Trans proline' 0 CA--C 1.532 0.383 0 C-N-CA 122.281 1.987 . . . . 1.24 112.655 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 69.8 p -83.91 37.15 0.58 Allowed 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.505 -0.316 . . . . 2.19 111.28 179.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 30.4 t . . . . . 0 C--O 1.251 1.165 0 CA-C-O 118.119 -0.943 . . . . 3.22 110.888 -179.828 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 . . . . . 0 N--CA 1.491 1.608 0 N-CA-C 112.03 0.382 . . . . 2.82 112.03 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 9.9 ptpp? -68.19 -21.99 64.84 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-O 121.318 0.58 . . . . 2.72 110.509 179.025 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 20.2 ptt? -87.53 16.75 5.17 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 115.523 -0.762 . . . . 1.62 112.108 179.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 5.1 t -53.94 -41.04 67.31 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 112.013 0.375 . . . . 1.19 112.013 -179.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 87.0 mt -66.92 -42.81 84.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.25 0.547 . . . . 1.5 110.88 179.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' CYS . . . . . 0.599 ' O ' ' HG ' ' B' ' 10' ' ' LEU . 31.1 m -64.64 -51.82 60.63 Favored 'General case' 0 C--O 1.219 -0.508 0 CA-C-N 116.017 -0.538 . . . . 0.95 112.191 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . 0.439 ' O ' ' HG ' ' B' ' 11' ' ' LEU . 15.2 tt -59.2 -35.45 57.8 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.431 0 N-CA-C 108.924 -0.769 . . . . 0.76 108.924 179.614 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 29.5 t -62.39 -27.48 69.11 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 109.009 -0.737 . . . . 0.89 109.009 175.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 1.5 t -87.72 -31.81 5.96 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.871 0 C-N-CA 120.388 -0.525 . . . . 1.07 111.212 178.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.599 ' HG ' ' O ' ' B' ' 6' ' ' CYS . 13.9 mt -64.88 -34.59 78.75 Favored 'General case' 0 CA--C 1.51 -0.594 0 N-CA-C 107.344 -1.354 . . . . 0.9 107.344 177.468 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' B' ' 7' ' ' ILE . 4.0 pp -83.25 -34.55 25.8 Favored 'General case' 0 C--O 1.214 -0.795 0 CA-C-N 114.148 -1.387 . . . . 0.62 110.316 178.145 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.9 -38.28 81.82 Favored 'General case' 0 CA--C 1.514 -0.421 0 N-CA-C 107.672 -1.233 . . . . 0.78 107.672 177.275 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.4 ' O ' ' HG ' ' B' ' 17' ' ' LEU . 28.0 mt -67.34 -51.04 57.19 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 115.552 -0.749 . . . . 1.24 109.198 176.415 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . 0.4 ' HA ' HD12 ' B' ' 17' ' ' LEU . 89.4 m -55.55 -54.27 46.07 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 115.906 -0.588 . . . . 0.96 111.752 178.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.655 ' HA ' HD23 ' B' ' 18' ' ' LEU . 89.1 t -59.45 -45.08 93.96 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.199 0 O-C-N 122.212 -0.305 . . . . 0.79 110.842 178.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . 0.461 ' CD1' HD11 ' B' ' 19' ' ' LEU . 48.4 t80 -53.89 -37.65 63.96 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.481 0.658 . . . . 1.56 109.227 178.324 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.577 ' HA ' HG22 ' B' ' 20' ' ' ILE . 21.0 mt -72.43 -34.01 67.52 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.957 -0.565 . . . . 1.43 110.868 177.717 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.655 HD23 ' HA ' ' B' ' 15' ' ' VAL . 0.2 OUTLIER -65.01 -48.94 72.14 Favored 'General case' 0 N--CA 1.423 -1.781 0 CA-C-O 121.633 0.73 . . . . 1.06 109.622 179.624 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.596 HD12 ' N ' ' B' ' 20' ' ' ILE . 2.3 pp -68.2 -46.46 70.58 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 114.861 -1.063 . . . . 0.97 110.929 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . 0.596 ' N ' HD12 ' B' ' 19' ' ' LEU . 4.1 tp -58.86 -24.44 26.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 121.249 0.547 . . . . 1.34 109.745 178.047 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . 0.562 ' O ' HG13 ' B' ' 24' ' ' VAL . 31.6 m -77.32 -60.32 2.41 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-N 115.477 -0.783 . . . . 1.42 111.081 178.207 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 6.2 tptp -62.41 -41.86 99.0 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 115.321 -0.854 . . . . 1.56 111.378 -179.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.523 HG13 ' O ' ' B' ' 19' ' ' LEU . 4.5 mt -87.45 56.04 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 112.538 0.57 . . . . 1.77 112.538 -179.141 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.562 HG13 ' O ' ' B' ' 21' ' ' SER . 3.7 m -62.5 128.62 91.74 Favored Pre-proline 0 C--N 1.331 -0.22 0 CA-C-N 116.417 -0.356 . . . . 1.19 110.774 178.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . 0.467 ' HB2' HG22 ' B' ' 27' ' ' THR . 31.7 Cg_endo -64.75 134.56 41.12 Favored 'Trans proline' 0 C--O 1.236 0.412 0 C-N-CA 121.847 1.698 . . . . 2.33 111.953 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -67.04 40.49 0.17 Allowed 'Trans proline' 0 N--CA 1.481 0.788 0 C-N-CA 123.497 2.798 . . . . 2.77 113.525 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . 0.467 HG22 ' HB2' ' B' ' 25' ' ' PRO . 6.8 t -144.03 -5.21 0.79 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.053 -0.522 . . . . 3.95 111.327 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 60.6 p . . . . . 0 C--O 1.251 1.142 0 CA-C-O 118.614 -0.708 . . . . 5.38 112.577 -179.983 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' GLU . . . . . 0.632 ' OE1' ' HE2' ' B' ' 2' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.653 0 N-CA-C 111.596 0.221 . . . . 1.85 111.596 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . 0.632 ' HE2' ' OE1' ' B' ' 1' ' ' GLU . 2.3 mttt 61.88 -48.87 0.15 Allowed 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 124.94 1.296 . . . . 1.88 112.867 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 21.4 ptm -76.85 6.55 5.97 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.929 -0.578 . . . . 1.41 112.069 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 3.0 t -60.24 -41.03 92.31 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 120.809 0.337 . . . . 0.61 111.406 179.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 90.3 mt -68.41 -41.36 80.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.212 0.529 . . . . 0.8 110.553 178.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' CYS . . . . . 0.622 ' O ' ' HG ' ' B' ' 10' ' ' LEU . 29.4 m -64.61 -52.65 56.34 Favored 'General case' 0 C--O 1.219 -0.506 0 CA-C-N 116.01 -0.541 . . . . 0.54 112.22 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . 0.459 ' O ' ' HG ' ' B' ' 11' ' ' LEU . 8.1 tp -58.44 -36.59 59.63 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.462 0 N-CA-C 108.933 -0.765 . . . . 0.54 108.933 179.578 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 39.9 t -62.24 -27.12 68.77 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 109.237 -0.653 . . . . 0.53 109.237 176.125 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 1.4 t -88.2 -32.24 5.96 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.857 0 C-N-CA 120.331 -0.548 . . . . 0.48 111.371 178.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.622 ' HG ' ' O ' ' B' ' 6' ' ' CYS . 14.1 mt -65.06 -34.23 77.93 Favored 'General case' 0 CA--C 1.509 -0.619 0 N-CA-C 107.462 -1.31 . . . . 0.52 107.462 177.597 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' B' ' 7' ' ' ILE . 4.0 pp -83.06 -35.09 26.01 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 114.15 -1.386 . . . . 0.54 110.309 177.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.75 -38.38 81.61 Favored 'General case' 0 CA--C 1.514 -0.431 0 N-CA-C 107.704 -1.221 . . . . 0.43 107.704 177.323 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 29.0 mt -67.05 -50.72 61.0 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.595 -0.73 . . . . 0.57 109.317 176.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 89.2 m -56.34 -54.3 47.17 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.968 -0.56 . . . . 0.58 111.824 178.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.658 ' HA ' HD23 ' B' ' 18' ' ' LEU . 79.0 t -58.77 -44.88 91.19 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.166 0 O-C-N 122.13 -0.356 . . . . 0.5 110.86 178.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . 0.475 ' CD1' HD11 ' B' ' 19' ' ' LEU . 43.1 t80 -54.08 -39.93 66.76 Favored 'General case' 0 C--O 1.223 -0.335 0 CA-C-O 121.596 0.712 . . . . 0.64 109.195 178.34 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 22.4 mt -70.6 -32.19 69.45 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.02 -0.536 . . . . 0.6 111.037 177.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.658 HD23 ' HA ' ' B' ' 15' ' ' VAL . 0.1 OUTLIER -66.03 -48.97 69.34 Favored 'General case' 0 N--CA 1.425 -1.723 0 CA-C-O 121.573 0.702 . . . . 0.55 109.568 179.662 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.768 ' O ' HG13 ' B' ' 23' ' ' ILE . 1.5 pp -66.47 -48.16 70.78 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.132 -0.94 . . . . 0.46 110.361 179.644 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . 0.547 ' N ' HD12 ' B' ' 19' ' ' LEU . 13.8 mm -53.07 -31.15 17.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.339 0.59 . . . . 0.53 109.455 176.759 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . 0.513 ' HB2' ' O ' ' B' ' 18' ' ' LEU . 57.8 m -73.05 -50.64 21.79 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.357 -0.838 . . . . 0.52 110.887 177.776 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 1.6 tptm -60.19 -39.73 87.57 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 115.338 -0.846 . . . . 0.99 110.043 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.768 HG13 ' O ' ' B' ' 19' ' ' LEU . 23.2 mt -72.71 -54.42 16.09 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 CA-C-N 115.671 -0.695 . . . . 0.64 112.455 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.43 ' HA ' ' HD3' ' B' ' 25' ' ' PRO . 47.1 t -105.56 116.02 60.81 Favored Pre-proline 0 CA--C 1.531 0.241 0 CA-C-O 120.964 0.411 . . . . 0.81 111.575 -179.544 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . 0.474 ' HA ' ' HD3' ' B' ' 26' ' ' PRO . 6.2 Cg_exo -73.86 128.97 12.9 Favored 'Trans proline' 0 CA--C 1.533 0.457 0 C-N-CA 122.905 2.403 . . . . 0.8 112.824 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' PRO . . . . . 0.474 ' HD3' ' HA ' ' B' ' 25' ' ' PRO . 28.5 Cg_exo -62.27 -42.01 31.08 Favored 'Trans proline' 0 CA--C 1.534 0.484 0 C-N-CA 122.841 2.36 . . . . 1.47 112.557 179.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 76.7 p -81.29 60.15 4.26 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 116.341 -0.391 . . . . 2.05 111.47 179.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 29.3 t . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.355 -0.831 . . . . 1.97 111.57 -179.913 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.49 1.562 0 CA-C-O 120.95 0.405 . . . . 2.5 111.779 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . 0.414 ' H ' ' HG2' ' B' ' 2' ' ' LYS . 19.1 pttp -67.94 -21.73 65.09 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.887 -0.597 . . . . 1.42 111.415 179.568 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 15.8 ptp -81.12 16.89 1.38 Allowed 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 115.909 -0.587 . . . . 1.92 112.373 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 4.4 t -56.04 -39.87 72.65 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 112.264 0.468 . . . . 1.13 112.264 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 88.1 mt -66.92 -42.78 84.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.113 0.482 . . . . 1.37 110.901 179.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' CYS . . . . . 0.615 ' O ' ' HG ' ' B' ' 10' ' ' LEU . 29.9 m -65.57 -52.31 53.24 Favored 'General case' 0 C--O 1.218 -0.564 0 CA-C-N 116.058 -0.519 . . . . 0.94 112.379 -179.8 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . 0.464 ' O ' ' HG ' ' B' ' 11' ' ' LEU . 7.9 tp -58.05 -36.57 57.25 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.44 0 N-CA-C 108.839 -0.8 . . . . 0.86 108.839 179.649 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 48.1 t -60.82 -30.13 69.9 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 108.955 -0.758 . . . . 0.89 108.955 176.03 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 1.6 t -86.71 -32.19 6.45 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.774 0 O-C-N 121.846 -0.534 . . . . 1.13 111.918 178.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.615 ' HG ' ' O ' ' B' ' 6' ' ' CYS . 14.2 mt -65.1 -34.09 77.57 Favored 'General case' 0 CA--C 1.508 -0.664 0 N-CA-C 107.571 -1.27 . . . . 1.02 107.571 177.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' B' ' 7' ' ' ILE . 4.0 pp -83.03 -34.58 26.22 Favored 'General case' 0 C--O 1.215 -0.738 0 CA-C-N 114.262 -1.335 . . . . 0.6 110.243 177.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . 0.425 ' O ' ' HB2' ' B' ' 16' ' ' PHE . . . -59.96 -39.05 84.28 Favored 'General case' 0 CA--C 1.514 -0.418 0 N-CA-C 107.662 -1.236 . . . . 0.81 107.662 177.413 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 29.9 mt -67.19 -48.89 66.57 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.579 -0.737 . . . . 1.32 109.427 176.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . 0.546 ' O ' ' HG ' ' B' ' 17' ' ' LEU . 96.7 m -57.81 -54.14 50.28 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 115.827 -0.624 . . . . 0.78 111.629 178.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.768 ' HA ' HD23 ' B' ' 18' ' ' LEU . 94.2 t -59.65 -45.93 93.79 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.36 0 O-C-N 121.546 -0.721 . . . . 0.68 110.661 178.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . 0.425 ' HB2' ' O ' ' B' ' 12' ' ' ALA . 1.2 m-85 -54.4 -37.36 64.97 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 120.925 -0.31 . . . . 2.05 111.063 178.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.689 ' HA ' HG22 ' B' ' 20' ' ' ILE . 4.4 pp -79.61 -25.22 41.53 Favored 'General case' 0 N--CA 1.444 -0.739 0 C-N-CA 119.41 -0.916 . . . . 1.04 110.514 178.327 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.768 HD23 ' HA ' ' B' ' 15' ' ' VAL . 0.1 OUTLIER -67.66 -49.66 61.77 Favored 'General case' 0 N--CA 1.423 -1.804 0 N-CA-C 108.695 -0.854 . . . . 0.71 108.695 178.283 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.612 HD12 ' N ' ' B' ' 20' ' ' ILE . 2.3 pp -67.52 -45.75 74.86 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.62 -1.173 . . . . 0.86 110.782 179.555 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . 0.689 HG22 ' HA ' ' B' ' 17' ' ' LEU . 3.6 tp -60.05 -24.08 29.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.061 0.458 . . . . 1.12 110.01 178.238 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 30.3 m -77.64 -61.57 1.95 Allowed 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.822 -0.626 . . . . 0.87 111.181 178.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 13.5 tptt -61.99 -42.43 99.14 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 115.249 -0.887 . . . . 1.39 111.064 -179.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.425 HG13 ' O ' ' B' ' 19' ' ' LEU . 2.3 mt -94.61 44.52 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.012 -0.54 . . . . 0.86 111.676 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.436 ' HA ' ' HD3' ' B' ' 25' ' ' PRO . 7.5 p -69.43 127.47 92.78 Favored Pre-proline 0 CA--C 1.535 0.4 0 CA-C-O 121.104 0.478 . . . . 0.7 111.089 179.657 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' B' ' 24' ' ' VAL . 21.4 Cg_exo -66.15 126.77 16.32 Favored 'Trans proline' 0 CA--C 1.532 0.392 0 C-N-CA 122.559 2.173 . . . . 0.89 112.55 -179.416 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.14 48.29 0.69 Allowed 'Trans proline' 0 C--N 1.35 0.653 0 C-N-CA 123.123 2.548 . . . . 1.58 112.793 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 93.5 m -164.84 -49.5 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.648 -0.705 . . . . 2.47 109.602 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 57.0 m . . . . . 0 C--O 1.252 1.19 0 CA-C-O 118.283 -0.865 . . . . 3.45 112.194 179.507 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 . . . . . 0 N--CA 1.488 1.45 0 CA-C-O 121.173 0.511 . . . . 1.22 111.656 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 59.4 pttt -68.22 -22.02 64.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.289 0.566 . . . . 1.53 110.762 179.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 21.1 ptt? -84.39 14.29 4.59 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 115.616 -0.72 . . . . 1.27 112.125 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 5.9 t -55.77 -40.69 72.95 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 112.172 0.434 . . . . 0.61 112.172 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 93.7 mt -67.69 -39.97 84.39 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-O 121.11 0.481 . . . . 0.8 111.04 179.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' CYS . . . . . . . . . . . . . 34.6 m -67.21 -50.54 60.41 Favored 'General case' 0 C--O 1.22 -0.458 0 N-CA-C 112.348 0.499 . . . . 0.45 112.348 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . 0.641 ' HA ' ' HG ' ' B' ' 10' ' ' LEU . 14.2 tt -60.14 -38.49 77.26 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.555 0 N-CA-C 108.687 -0.857 . . . . 0.72 108.687 179.635 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 33.4 t -60.25 -29.04 68.51 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 108.954 -0.758 . . . . 0.48 108.954 176.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 1.8 t -87.51 -34.26 7.29 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.864 0 N-CA-C 112.48 0.548 . . . . 0.54 112.48 179.317 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.641 ' HG ' ' HA ' ' B' ' 7' ' ' ILE . 4.7 pp -67.82 -29.15 68.24 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.023 -1.103 . . . . 0.58 108.023 178.086 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.52 ' HG ' ' O ' ' B' ' 7' ' ' ILE . 4.1 pp -84.45 -34.82 23.36 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-N 115.328 -0.851 . . . . 0.45 109.764 176.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . 0.439 ' N ' HD12 ' B' ' 11' ' ' LEU . . . -59.62 -39.0 82.84 Favored 'General case' 0 CA--C 1.514 -0.427 0 N-CA-C 107.607 -1.257 . . . . 0.36 107.607 177.343 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.403 ' O ' ' HG ' ' B' ' 17' ' ' LEU . 30.5 mt -66.39 -50.78 62.31 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.554 -0.748 . . . . 0.63 109.393 176.456 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . 0.451 ' HA ' HD12 ' B' ' 17' ' ' LEU . 95.6 m -56.48 -54.17 48.92 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 116.037 -0.528 . . . . 0.52 111.791 178.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.655 ' HA ' HD23 ' B' ' 18' ' ' LEU . 82.3 t -58.99 -44.81 91.98 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.161 0 O-C-N 122.199 -0.313 . . . . 0.47 110.783 178.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . 0.523 ' O ' HG23 ' B' ' 20' ' ' ILE . 43.2 t80 -53.44 -40.67 65.4 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 109.009 -0.737 . . . . 0.83 109.009 178.227 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.563 ' HA ' HG12 ' B' ' 20' ' ' ILE . 21.4 mt -68.34 -34.84 76.82 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.798 -0.637 . . . . 0.64 111.01 177.743 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.655 HD23 ' HA ' ' B' ' 15' ' ' VAL . 0.2 OUTLIER -65.17 -48.21 74.29 Favored 'General case' 0 N--CA 1.424 -1.728 0 CA-C-O 121.518 0.675 . . . . 0.46 110.162 179.849 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.554 HD12 ' N ' ' B' ' 20' ' ' ILE . 1.8 pp -66.36 -48.6 69.69 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 114.903 -1.044 . . . . 0.4 111.781 -179.368 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . 0.563 HG12 ' HA ' ' B' ' 17' ' ' LEU . 33.7 pt -60.43 -24.48 31.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 C-N-CA 120.068 -0.653 . . . . 0.57 109.755 177.625 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . 0.455 ' HB2' ' O ' ' B' ' 18' ' ' LEU . 21.5 m -73.81 -63.06 1.29 Allowed 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.552 -0.749 . . . . 0.51 111.199 178.592 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 6.2 tptp -62.71 -41.97 99.41 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 115.425 -0.807 . . . . 1.02 110.994 -179.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.435 HG13 ' O ' ' B' ' 19' ' ' LEU . 2.3 mt -94.7 45.03 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.06 -0.518 . . . . 0.63 111.595 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 7.6 p -69.46 129.9 91.2 Favored Pre-proline 0 CA--C 1.538 0.489 0 CA-C-N 116.117 -0.492 . . . . 0.67 111.07 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -63.81 124.98 14.5 Favored 'Trans proline' 0 CA--C 1.532 0.399 0 C-N-CA 122.014 1.809 . . . . 0.89 112.887 -179.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -76.42 64.35 7.25 Favored 'Trans proline' 0 CA--C 1.534 0.517 0 C-N-CA 122.478 2.119 . . . . 1.18 111.829 179.192 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 9.6 t -160.72 123.91 3.36 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 115.693 -0.685 . . . . 1.94 111.87 -178.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 90.7 p . . . . . 0 C--O 1.249 1.071 0 N-CA-C 113.816 1.043 . . . . 3.48 113.816 179.067 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 . . . . . 0 N--CA 1.492 1.657 0 CA-C-O 121.034 0.445 . . . . 1.47 112.005 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 58.0 pttt -68.88 -24.64 64.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.744 -0.662 . . . . 1.24 110.651 178.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 21.6 ptm -78.6 12.08 2.22 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 115.63 -0.714 . . . . 1.29 112.169 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 6.0 t -58.07 -38.06 75.64 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 120.804 0.335 . . . . 0.6 111.781 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 91.4 mt -69.3 -42.32 75.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.154 0.502 . . . . 0.81 110.838 179.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' CYS . . . . . . . . . . . . . 32.7 m -64.71 -50.08 68.36 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-N 115.994 -0.548 . . . . 0.66 112.399 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . 0.618 ' HA ' ' HG ' ' B' ' 10' ' ' LEU . 14.7 tt -59.98 -38.17 75.48 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.572 0 N-CA-C 108.881 -0.785 . . . . 0.67 108.881 179.687 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 70.9 m -62.08 -27.09 68.67 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 109.128 -0.693 . . . . 0.41 109.128 176.088 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 2.1 t -87.51 -34.45 7.42 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.887 0 O-C-N 121.915 -0.491 . . . . 0.66 112.014 179.174 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.618 ' HG ' ' HA ' ' B' ' 7' ' ' ILE . 4.7 pp -68.49 -29.04 67.57 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 107.911 -1.144 . . . . 0.58 107.911 177.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' B' ' 7' ' ' ILE . 4.1 pp -84.34 -33.94 23.76 Favored 'General case' 0 N--CA 1.441 -0.88 0 CA-C-N 115.412 -0.813 . . . . 0.47 109.781 176.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . 0.419 ' N ' HD12 ' B' ' 11' ' ' LEU . . . -60.58 -40.29 91.21 Favored 'General case' 0 CA--C 1.515 -0.378 0 N-CA-C 107.44 -1.319 . . . . 0.51 107.44 177.16 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 31.0 mt -65.44 -48.43 72.75 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 115.519 -0.764 . . . . 0.74 109.549 176.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . 0.55 ' O ' ' HG ' ' B' ' 17' ' ' LEU . 99.7 m -59.3 -54.5 46.06 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 115.857 -0.611 . . . . 0.53 111.849 179.066 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.759 ' HA ' HD23 ' B' ' 18' ' ' LEU . 91.0 t -59.05 -46.11 91.98 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.29 0 O-C-N 121.452 -0.78 . . . . 0.62 110.904 179.118 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . 0.552 ' O ' HG23 ' B' ' 20' ' ' ILE . 3.0 m-85 -55.39 -39.01 69.63 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.711 -0.396 . . . . 1.05 110.877 179.016 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.772 ' HA ' HG12 ' B' ' 20' ' ' ILE . 4.4 pp -75.85 -25.92 56.67 Favored 'General case' 0 N--CA 1.444 -0.725 0 C-N-CA 119.166 -1.014 . . . . 0.61 110.504 178.231 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.759 HD23 ' HA ' ' B' ' 15' ' ' VAL . 0.1 OUTLIER -67.45 -48.68 66.51 Favored 'General case' 0 N--CA 1.422 -1.838 0 CA-C-O 121.705 0.764 . . . . 0.58 108.94 178.414 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.552 HD12 ' N ' ' B' ' 20' ' ' ILE . 1.6 pp -65.94 -49.39 68.11 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 114.732 -1.122 . . . . 0.71 111.519 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . 0.772 HG12 ' HA ' ' B' ' 17' ' ' LEU . 31.7 pt -59.57 -24.71 29.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 C-N-CA 119.843 -0.743 . . . . 0.75 109.974 177.763 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . 0.484 ' HB2' ' O ' ' B' ' 18' ' ' LEU . 15.0 m -72.4 -59.64 2.63 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 115.731 -0.668 . . . . 0.55 111.572 178.546 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 12.5 tptt -70.13 -41.55 73.76 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 115.672 -0.694 . . . . 1.32 111.208 -179.109 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 2.2 mm -90.01 60.29 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.858 -0.61 . . . . 0.66 111.985 -179.281 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.471 HG13 ' O ' ' B' ' 21' ' ' SER . 6.0 m -65.95 132.9 94.75 Favored Pre-proline 0 CA--C 1.534 0.348 0 CA-C-O 121.125 0.488 . . . . 1.11 111.791 179.633 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -68.74 130.44 20.63 Favored 'Trans proline' 0 CA--C 1.533 0.451 0 C-N-CA 122.617 2.211 . . . . 1.04 112.743 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -72.27 44.14 0.67 Allowed 'Trans proline' 0 CA--C 1.539 0.75 0 C-N-CA 122.981 2.454 . . . . 1.78 113.371 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 67.7 p -95.72 63.55 2.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.413 -0.358 . . . . 2.05 111.458 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 36.0 t . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.318 -0.848 . . . . 3.38 111.199 -179.819 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' GLU . . . . . 0.77 ' HG3' ' H ' ' B' ' 3' ' ' MET . 4.0 tp10 . . . . . 0 N--CA 1.487 1.422 0 CA-C-O 121.287 0.565 . . . . 1.65 111.673 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . 0.421 ' HG2' ' OE1' ' B' ' 1' ' ' GLU . 13.6 pttm -60.48 -17.3 44.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 114.991 -1.004 . . . . 1.74 112.075 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . 0.77 ' H ' ' HG3' ' B' ' 1' ' ' GLU . 17.6 ptm -76.3 5.41 7.08 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 111.989 0.366 . . . . 1.22 111.989 -179.682 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 4.6 t -58.55 -39.76 81.13 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 120.766 0.317 . . . . 0.71 111.508 179.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 88.8 mt -69.52 -41.94 75.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.192 0.52 . . . . 0.85 110.51 179.002 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' CYS . . . . . 0.57 ' O ' ' HG ' ' B' ' 10' ' ' LEU . 13.8 m -63.8 -52.91 58.12 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-N 115.74 -0.664 . . . . 0.51 112.017 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . 0.475 ' O ' ' HG ' ' B' ' 11' ' ' LEU . 15.4 tt -58.8 -35.98 58.66 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.488 0 N-CA-C 109.08 -0.711 . . . . 0.58 109.08 179.584 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 74.0 m -61.84 -27.47 68.8 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 108.862 -0.792 . . . . 0.58 108.862 176.1 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.593 ' O ' HD13 ' B' ' 13' ' ' LEU . 1.6 t -86.92 -34.45 7.65 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.928 0 C-N-CA 120.455 -0.498 . . . . 0.66 111.141 178.476 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.57 ' HG ' ' O ' ' B' ' 6' ' ' CYS . 12.1 mt -63.21 -33.22 75.01 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 107.779 -1.193 . . . . 0.49 107.779 177.774 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' B' ' 7' ' ' ILE . 4.1 pp -84.91 -34.16 22.59 Favored 'General case' 0 C--O 1.213 -0.867 0 CA-C-N 114.132 -1.395 . . . . 0.51 110.706 178.436 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.5 -41.82 90.75 Favored 'General case' 0 CA--C 1.513 -0.451 0 N-CA-C 107.556 -1.275 . . . . 0.5 107.556 177.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.593 HD13 ' O ' ' B' ' 9' ' ' VAL . 11.1 mp -66.13 -48.85 69.48 Favored 'General case' 0 N--CA 1.443 -0.775 0 CA-C-N 115.524 -0.762 . . . . 0.57 109.94 176.463 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . 0.523 ' HA ' HD12 ' B' ' 17' ' ' LEU . 78.1 m -57.99 -53.33 59.43 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 116.619 -0.264 . . . . 0.44 111.605 178.717 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.687 ' O ' HD13 ' B' ' 19' ' ' LEU . 53.5 t -57.96 -48.39 84.21 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.184 0 O-C-N 122.159 -0.338 . . . . 0.46 110.435 178.611 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . 0.565 ' O ' HG23 ' B' ' 20' ' ' ILE . 32.9 t80 -50.44 -43.18 55.01 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 109.131 -0.692 . . . . 0.67 109.131 178.404 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.68 ' HA ' HG12 ' B' ' 20' ' ' ILE . 20.7 mt -64.51 -32.34 73.93 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 115.879 -0.601 . . . . 0.48 110.847 177.597 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.643 HD23 HG13 ' B' ' 15' ' ' VAL . 0.1 OUTLIER -62.6 -53.04 60.52 Favored 'General case' 0 N--CA 1.418 -2.041 0 O-C-N 122.226 -0.296 . . . . 0.42 110.359 179.218 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.722 ' H ' HD13 ' B' ' 19' ' ' LEU 0.251 0.0 OUTLIER -70.62 -33.8 71.42 Favored 'General case' 0 C--O 1.221 -0.403 0 C-N-CA 118.567 -1.253 . . . . 0.4 113.117 -178.79 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . 0.68 HG12 ' HA ' ' B' ' 17' ' ' LEU . 28.7 pt -69.79 -21.86 24.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 119.119 0.872 . . . . 0.39 109.288 177.354 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 33.6 m -81.28 -59.1 2.76 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.33 -0.85 . . . . 0.35 111.938 179.351 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 12.9 tptt -68.72 -41.47 79.0 Favored 'General case' 0 N--CA 1.445 -0.725 0 CA-C-N 115.455 -0.793 . . . . 1.14 111.044 -178.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.777 HG22 ' HD2' ' B' ' 25' ' ' PRO . 1.9 mt -99.48 140.69 18.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.704 -0.68 . . . . 0.47 111.41 -179.63 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.711 ' HB ' ' HD3' ' B' ' 25' ' ' PRO . 42.6 t -57.53 -55.1 48.18 Favored Pre-proline 0 CA--C 1.544 0.741 0 N-CA-C 113.287 0.847 . . . . 0.63 113.287 -179.131 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . 0.777 ' HD2' HG22 ' B' ' 23' ' ' ILE . 39.8 Cg_exo -61.26 123.39 12.73 Favored 'Trans proline' 0 C--N 1.357 0.98 0 C-N-CA 122.0 1.8 . . . . 0.58 113.144 -179.481 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -73.85 53.4 2.8 Favored 'Trans proline' 0 CA--C 1.535 0.528 0 C-N-CA 122.968 2.445 . . . . 0.9 113.364 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . 0.43 ' HA ' ' HE1' ' B' ' 16' ' ' PHE . 98.3 m -161.67 -51.5 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 116.491 -0.322 . . . . 1.07 111.078 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 75.8 m . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.48 -0.771 . . . . 1.34 110.752 179.903 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' GLU . . . . . 0.535 ' HB3' ' HG2' ' B' ' 3' ' ' MET . 55.6 mt-10 . . . . . 0 N--CA 1.488 1.467 0 CA-C-O 120.903 0.382 . . . . 1.41 111.935 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 10.1 ptpp? -65.43 -20.65 66.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.702 -0.681 . . . . 1.69 111.068 179.483 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . 0.535 ' HG2' ' HB3' ' B' ' 1' ' ' GLU . 19.9 ptp -75.24 8.78 2.43 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 115.847 -0.615 . . . . 1.04 112.258 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 5.1 t -59.84 -38.02 80.88 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 120.871 0.367 . . . . 0.61 111.556 179.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 91.3 mt -69.41 -41.46 76.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.128 0.489 . . . . 1.01 110.573 179.228 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' CYS . . . . . 0.619 ' O ' ' HG ' ' B' ' 10' ' ' LEU . 30.0 m -64.77 -52.03 59.12 Favored 'General case' 0 C--O 1.22 -0.494 0 CA-C-N 116.059 -0.519 . . . . 0.5 112.188 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . 0.469 ' O ' ' HG ' ' B' ' 11' ' ' LEU . 8.0 tp -58.47 -36.36 58.71 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.455 0 N-CA-C 108.917 -0.771 . . . . 0.56 108.917 179.609 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 69.0 m -62.14 -27.98 69.32 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 109.1 -0.704 . . . . 0.6 109.1 176.157 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 1.9 t -87.54 -32.91 6.39 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.822 0 O-C-N 121.881 -0.512 . . . . 0.63 111.538 178.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.619 ' HG ' ' O ' ' B' ' 6' ' ' CYS . 14.2 mt -64.65 -33.93 77.09 Favored 'General case' 0 CA--C 1.508 -0.653 0 N-CA-C 107.493 -1.299 . . . . 0.48 107.493 177.643 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.824 ' HA ' HG22 ' B' ' 14' ' ' THR . 4.1 pp -83.24 -35.44 25.36 Favored 'General case' 0 N--CA 1.441 -0.894 0 CA-C-N 114.097 -1.41 . . . . 0.59 110.509 177.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . 0.41 ' N ' HD12 ' B' ' 11' ' ' LEU . . . -59.02 -37.74 77.64 Favored 'General case' 0 CA--C 1.515 -0.398 0 N-CA-C 107.617 -1.253 . . . . 0.56 107.617 177.301 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.411 ' O ' ' HG ' ' B' ' 17' ' ' LEU . 30.6 mt -67.8 -53.63 25.57 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.277 -0.874 . . . . 0.63 110.119 176.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . 0.824 HG22 ' HA ' ' B' ' 11' ' ' LEU . 2.1 t -60.29 -45.21 94.14 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 116.587 -0.279 . . . . 0.56 111.707 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.604 ' HA ' HD23 ' B' ' 18' ' ' LEU . 74.7 t -63.07 -44.81 99.75 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.169 0 O-C-N 121.723 -0.61 . . . . 0.61 109.978 178.48 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . 0.509 ' O ' HG23 ' B' ' 20' ' ' ILE . 51.7 t80 -54.33 -38.68 66.28 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 108.495 -0.928 . . . . 0.72 108.495 177.764 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.69 HD12 ' HA ' ' B' ' 14' ' ' THR . 22.7 mt -68.85 -35.33 76.8 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.622 -0.717 . . . . 0.6 111.052 177.687 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.604 HD23 ' HA ' ' B' ' 15' ' ' VAL . 0.2 OUTLIER -64.79 -48.19 75.38 Favored 'General case' 0 N--CA 1.425 -1.703 0 CA-C-O 121.598 0.713 . . . . 0.65 110.141 179.829 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.541 HD12 ' N ' ' B' ' 20' ' ' ILE . 1.5 pp -66.28 -49.81 65.83 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 114.921 -1.036 . . . . 0.52 111.65 -179.253 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . 0.541 ' N ' HD12 ' B' ' 19' ' ' LEU . 32.7 pt -59.78 -24.65 29.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 C-N-CA 120.2 -0.6 . . . . 0.47 109.827 177.537 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . 0.518 ' HB2' ' O ' ' B' ' 18' ' ' LEU . 15.9 m -71.06 -61.52 1.73 Allowed 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.595 -0.729 . . . . 0.51 111.235 178.44 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 5.5 tptp -68.12 -43.02 79.31 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 115.699 -0.682 . . . . 1.2 111.332 -179.387 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.411 HG13 ' O ' ' B' ' 19' ' ' LEU . 4.6 mt -86.78 63.94 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 112.604 0.594 . . . . 0.66 112.604 -178.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.681 ' HB ' ' HD3' ' B' ' 25' ' ' PRO . 59.3 t -65.54 -53.22 39.12 Favored Pre-proline 0 CA--C 1.542 0.655 0 CA-C-N 116.308 -0.405 . . . . 1.0 111.151 178.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . 0.681 ' HD3' ' HB ' ' B' ' 24' ' ' VAL . 6.1 Cg_exo -79.26 148.07 20.98 Favored 'Trans proline' 0 C--N 1.355 0.918 0 C-N-CA 122.598 2.198 . . . . 1.0 112.138 179.336 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -58.84 -27.81 85.26 Favored 'Trans proline' 0 CA--C 1.535 0.553 0 C-N-CA 122.852 2.368 . . . . 1.42 113.194 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 34.7 p -70.23 -58.96 3.19 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 112.262 0.468 . . . . 1.66 112.262 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 69.1 m . . . . . 0 C--O 1.251 1.16 0 CA-C-O 117.942 -1.028 . . . . 1.38 110.85 -179.917 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' GLU . . . . . 0.661 ' HB3' ' HB ' ' B' ' 4' ' ' THR . 0.7 OUTLIER . . . . . 0 N--CA 1.488 1.443 0 CA-C-O 120.956 0.408 . . . . 2.23 111.446 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -79.11 -24.59 43.29 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.657 -0.701 . . . . 2.31 111.402 179.559 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 11.5 ptt? -125.12 25.86 7.11 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 112.286 0.476 . . . . 1.49 112.286 -179.471 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . 0.661 ' HB ' ' HB3' ' B' ' 1' ' ' GLU . 3.4 t -52.68 -41.53 63.94 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 112.07 0.396 . . . . 1.55 112.07 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.811 ' H ' HD23 ' B' ' 5' ' ' LEU . 1.3 pt? -68.33 -43.01 78.49 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-O 120.991 0.424 . . . . 1.54 110.85 179.013 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' CYS . . . . . 0.407 ' N ' ' HG ' ' B' ' 5' ' ' LEU . 57.1 m -67.01 -47.74 70.52 Favored 'General case' 0 C--O 1.22 -0.48 0 N-CA-C 112.114 0.413 . . . . 1.01 112.114 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . 0.585 ' HA ' ' HG ' ' B' ' 10' ' ' LEU . 0.1 OUTLIER -60.44 -37.42 74.52 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.297 0 N-CA-C 108.197 -1.038 . . . . 0.87 108.197 179.568 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . 0.4 ' HA ' HD21 ' B' ' 11' ' ' LEU . 34.3 t -63.58 -26.93 68.91 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 109.372 -0.603 . . . . 1.19 109.372 175.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 2.1 t -87.89 -33.77 6.83 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.015 0 C-N-CA 120.444 -0.502 . . . . 1.34 111.883 179.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.585 ' HG ' ' HA ' ' B' ' 7' ' ' ILE . 4.6 pp -69.04 -28.95 67.01 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 107.702 -1.221 . . . . 0.8 107.702 177.762 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' B' ' 7' ' ' ILE . 4.2 pp -83.48 -34.85 25.28 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 115.547 -0.751 . . . . 0.82 109.497 176.566 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . 0.449 ' N ' HD12 ' B' ' 11' ' ' LEU . . . -60.07 -39.38 85.86 Favored 'General case' 0 CA--C 1.512 -0.498 0 N-CA-C 107.713 -1.218 . . . . 1.07 107.713 177.472 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.42 ' O ' ' HG ' ' B' ' 17' ' ' LEU . 30.2 mt -66.21 -50.95 62.08 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.723 -0.671 . . . . 1.59 109.343 176.523 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . 0.474 ' HA ' HD12 ' B' ' 17' ' ' LEU . 92.6 m -56.17 -54.61 43.12 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.923 -0.58 . . . . 0.91 111.739 178.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.625 ' HA ' HD23 ' B' ' 18' ' ' LEU . 89.3 t -59.21 -44.22 91.42 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.162 0 O-C-N 122.075 -0.391 . . . . 0.84 110.757 178.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . 0.517 ' O ' HG23 ' B' ' 20' ' ' ILE . 51.1 t80 -53.52 -40.38 65.4 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 108.853 -0.795 . . . . 1.96 108.853 178.126 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.548 ' HA ' HG12 ' B' ' 20' ' ' ILE . 21.8 mt -68.8 -35.11 76.6 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.888 -0.596 . . . . 1.62 110.985 177.742 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.625 HD23 ' HA ' ' B' ' 15' ' ' VAL . 0.1 OUTLIER -65.47 -48.06 73.95 Favored 'General case' 0 N--CA 1.423 -1.799 0 CA-C-O 121.536 0.684 . . . . 0.92 109.965 179.872 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.571 HD12 ' N ' ' B' ' 20' ' ' ILE . 2.0 pp -66.24 -48.44 70.53 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 114.841 -1.072 . . . . 1.22 111.714 -179.229 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . 0.571 ' N ' HD12 ' B' ' 19' ' ' LEU . 33.4 pt -61.21 -24.61 33.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 C-N-CA 120.115 -0.634 . . . . 1.61 109.765 177.673 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . 0.467 ' HB2' ' O ' ' B' ' 18' ' ' LEU . 16.5 m -71.95 -62.65 1.35 Allowed 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 115.564 -0.744 . . . . 1.38 111.557 178.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 5.2 tptp -69.71 -40.82 76.05 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 115.609 -0.723 . . . . 1.63 111.347 -179.265 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 2.3 mt -95.66 65.5 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.063 -0.517 . . . . 1.11 112.205 -179.152 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.428 ' HA ' ' HD3' ' B' ' 25' ' ' PRO . 18.6 m -59.87 135.36 89.99 Favored Pre-proline 0 CA--C 1.537 0.479 0 CA-C-N 115.923 -0.58 . . . . 1.34 111.738 179.587 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . 0.438 ' HA ' ' HD3' ' B' ' 26' ' ' PRO . 8.7 Cg_exo -67.41 138.13 45.3 Favored 'Trans proline' 0 CA--C 1.531 0.346 0 C-N-CA 122.42 2.08 . . . . 1.89 113.112 -179.559 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' B' ' 25' ' ' PRO . 32.4 Cg_exo -61.98 87.48 0.1 Allowed 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 123.017 2.478 . . . . 2.52 112.144 179.29 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 70.5 p 54.86 53.34 10.58 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.036 0.534 . . . . 4.22 111.84 -179.021 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 75.4 m . . . . . 0 C--O 1.25 1.122 0 CA-C-O 118.307 -0.854 . . . . 4.24 110.851 179.873 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.489 1.511 0 CA-C-O 120.996 0.427 . . . . 1.32 111.91 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 57.6 pttt -67.26 -24.15 65.76 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 115.857 -0.611 . . . . 1.37 111.152 179.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 18.0 ptm -82.07 19.74 1.11 Allowed 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 112.522 0.564 . . . . 0.77 112.522 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 3.9 t -54.88 -41.04 70.37 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 112.699 0.629 . . . . 0.55 112.699 -179.468 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.775 ' H ' HD23 ' B' ' 5' ' ' LEU . 1.0 OUTLIER -68.78 -41.36 78.9 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 121.037 0.446 . . . . 0.71 111.198 179.423 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' CYS . . . . . 0.6 ' O ' ' HG ' ' B' ' 10' ' ' LEU . 32.7 m -64.29 -51.41 63.65 Favored 'General case' 0 C--O 1.22 -0.477 0 N-CA-C 112.286 0.476 . . . . 0.46 112.286 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . 0.438 ' O ' ' HG ' ' B' ' 11' ' ' LEU . 15.0 tt -59.1 -35.48 57.55 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.513 0 N-CA-C 108.985 -0.746 . . . . 0.47 108.985 179.641 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 66.4 m -62.4 -27.64 69.23 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 108.877 -0.786 . . . . 0.41 108.877 176.039 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 1.8 t -87.61 -32.16 6.11 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.803 0 O-C-N 121.95 -0.469 . . . . 0.53 111.35 178.484 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.6 ' HG ' ' O ' ' B' ' 6' ' ' CYS . 13.3 mt -64.69 -34.28 77.93 Favored 'General case' 0 CA--C 1.51 -0.592 0 N-CA-C 107.426 -1.324 . . . . 0.52 107.426 177.525 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.438 ' HG ' ' O ' ' B' ' 7' ' ' ILE . 4.0 pp -83.36 -34.61 25.56 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 114.25 -1.341 . . . . 0.4 110.361 178.088 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.97 -38.24 81.95 Favored 'General case' 0 CA--C 1.514 -0.411 0 N-CA-C 107.702 -1.221 . . . . 0.4 107.702 177.279 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.408 ' O ' ' HG ' ' B' ' 17' ' ' LEU . 29.3 mt -67.3 -50.02 61.9 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.455 -0.793 . . . . 0.67 109.211 176.42 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . 0.447 ' HA ' HD12 ' B' ' 17' ' ' LEU . 96.2 m -56.63 -54.44 46.0 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.94 -0.573 . . . . 0.55 111.721 178.784 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.669 ' HA ' HD23 ' B' ' 18' ' ' LEU . 87.1 t -58.68 -44.76 90.54 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.168 0 O-C-N 122.079 -0.388 . . . . 0.48 110.74 178.798 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . 0.523 ' O ' HG23 ' B' ' 20' ' ' ILE . 45.7 t80 -53.42 -40.86 65.48 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 108.967 -0.753 . . . . 0.84 108.967 178.299 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.563 ' HA ' HG12 ' B' ' 20' ' ' ILE . 21.1 mt -68.69 -34.85 76.36 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.876 -0.602 . . . . 0.76 111.067 177.789 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.669 HD23 ' HA ' ' B' ' 15' ' ' VAL . 0.2 OUTLIER -64.89 -48.29 74.77 Favored 'General case' 0 N--CA 1.423 -1.794 0 CA-C-O 121.61 0.719 . . . . 0.55 109.936 179.731 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.593 ' O ' HG12 ' B' ' 23' ' ' ILE . 1.4 pp -65.99 -52.43 49.48 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 115.06 -0.973 . . . . 0.46 111.555 -179.555 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . 0.564 ' N ' HD12 ' B' ' 19' ' ' LEU . 32.0 pt -55.7 -25.5 18.43 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-N 118.703 0.683 . . . . 0.62 109.994 177.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . 0.464 ' HB2' ' O ' ' B' ' 18' ' ' LEU . 31.1 m -73.68 -55.91 5.67 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.849 -0.614 . . . . 0.6 110.824 177.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . 0.642 ' HD3' HG12 ' B' ' 23' ' ' ILE . 0.1 OUTLIER -63.7 -35.87 81.99 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-N 115.512 -0.767 . . . . 0.75 110.969 -179.603 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.642 HG12 ' HD3' ' B' ' 22' ' ' LYS . 10.0 mm -66.89 125.1 23.55 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.213 0 C-N-CA 120.844 -0.343 . . . . 0.63 110.994 178.125 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 5.7 p -64.79 125.67 89.39 Favored Pre-proline 0 CA--C 1.539 0.545 0 CA-C-O 120.92 0.39 . . . . 0.86 111.028 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . 0.442 ' HA ' ' HD3' ' B' ' 26' ' ' PRO . 9.8 Cg_endo -64.11 131.3 30.04 Favored 'Trans proline' 0 CA--C 1.534 0.492 0 C-N-CA 122.015 1.81 . . . . 1.15 112.519 -179.661 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' B' ' 25' ' ' PRO . 39.4 Cg_exo -63.24 -38.01 47.13 Favored 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 123.076 2.517 . . . . 1.71 112.972 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 95.0 m -162.67 -45.39 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 120.7 0.286 . . . . 2.12 111.414 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 58.4 p . . . . . 0 C--O 1.245 0.838 0 CA-C-O 118.286 -0.864 . . . . 2.78 111.309 -179.435 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 . . . . . 0 N--CA 1.49 1.548 0 CA-C-O 121.355 0.598 . . . . 1.78 111.617 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 60.9 pttt -78.24 -26.1 47.16 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.056 -0.975 . . . . 2.75 112.076 -179.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 15.1 ptp -103.15 16.02 27.72 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 112.82 0.674 . . . . 1.5 112.82 -178.368 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 6.0 t -57.22 -38.39 73.67 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 111.923 0.342 . . . . 0.93 111.923 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 89.1 mt -68.49 -44.42 74.78 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-O 121.24 0.543 . . . . 0.91 110.887 179.367 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' CYS . . . . . 0.618 ' O ' ' HG ' ' B' ' 10' ' ' LEU . 35.1 m -64.31 -51.31 64.09 Favored 'General case' 0 C--O 1.22 -0.494 0 N-CA-C 112.259 0.466 . . . . 0.55 112.259 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . 0.463 ' O ' ' HG ' ' B' ' 11' ' ' LEU . 8.7 tp -58.12 -37.85 64.42 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.426 0 N-CA-C 109.413 -0.588 . . . . 0.67 109.413 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 9.0 p -62.78 -26.18 68.59 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 108.939 -0.763 . . . . 0.64 108.939 176.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 1.7 t -87.71 -33.02 6.39 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.829 0 C-N-CA 120.463 -0.495 . . . . 0.6 111.525 178.633 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.618 ' HG ' ' O ' ' B' ' 6' ' ' CYS . 14.3 mt -64.85 -34.25 77.93 Favored 'General case' 0 CA--C 1.508 -0.654 0 N-CA-C 107.432 -1.321 . . . . 0.48 107.432 177.666 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' B' ' 7' ' ' ILE . 4.1 pp -83.35 -34.32 25.65 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 114.258 -1.337 . . . . 0.64 110.406 177.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.04 -38.62 83.3 Favored 'General case' 0 CA--C 1.513 -0.469 0 N-CA-C 107.637 -1.246 . . . . 0.59 107.637 177.298 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.403 ' O ' ' HG ' ' B' ' 17' ' ' LEU . 27.8 mt -67.32 -50.41 60.23 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.518 -0.765 . . . . 0.65 109.074 176.53 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . 0.418 ' HB ' ' HA ' ' B' ' 11' ' ' LEU . 94.2 m -55.56 -55.02 36.82 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 115.79 -0.641 . . . . 1.02 111.65 178.763 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.684 ' HA ' HD23 ' B' ' 18' ' ' LEU . 91.8 t -59.22 -44.89 92.98 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.266 0 O-C-N 122.093 -0.379 . . . . 0.74 110.767 178.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . 0.479 ' CD1' HD11 ' B' ' 19' ' ' LEU . 46.7 t80 -53.71 -37.76 63.61 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.426 0.632 . . . . 0.99 109.419 178.264 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.599 ' HA ' HG22 ' B' ' 20' ' ' ILE . 21.1 mt -72.27 -33.68 67.64 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.009 -0.541 . . . . 0.72 110.977 177.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.684 HD23 ' HA ' ' B' ' 15' ' ' VAL . 0.2 OUTLIER -66.07 -48.72 70.06 Favored 'General case' 0 N--CA 1.426 -1.635 0 CA-C-O 121.776 0.798 . . . . 0.74 109.768 179.682 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.592 HD12 ' N ' ' B' ' 20' ' ' ILE . 2.6 pp -67.68 -44.55 77.53 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 114.639 -1.164 . . . . 0.74 110.943 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . 0.599 HG22 ' HA ' ' B' ' 17' ' ' LEU . 3.7 tp -64.37 -21.44 29.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 121.373 0.606 . . . . 0.89 109.977 178.109 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . 0.569 ' HB2' ' O ' ' B' ' 17' ' ' LEU . 8.2 t -77.15 -59.07 2.93 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.461 -0.791 . . . . 0.76 111.52 179.543 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 4.7 mptp? -76.02 -39.98 54.51 Favored 'General case' 0 N--CA 1.439 -1.025 0 CA-C-N 115.486 -0.779 . . . . 2.11 111.645 -178.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 2.0 mt -96.69 64.65 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 112.364 0.505 . . . . 0.72 112.364 -178.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.616 ' HB ' ' HD3' ' B' ' 25' ' ' PRO . 52.3 t -66.73 -51.4 39.86 Favored Pre-proline 0 CA--C 1.544 0.745 0 N-CA-C 112.348 0.499 . . . . 1.01 112.348 179.705 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . 0.616 ' HD3' ' HB ' ' B' ' 24' ' ' VAL . 9.8 Cg_endo -78.98 136.76 13.33 Favored 'Trans proline' 0 C--N 1.355 0.903 0 C-N-CA 121.583 1.522 . . . . 1.09 112.282 179.54 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -72.74 49.21 1.48 Allowed 'Trans proline' 0 CA--C 1.538 0.687 0 C-N-CA 122.717 2.278 . . . . 1.14 113.007 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 95.7 m -162.54 126.78 3.1 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.127 -0.488 . . . . 2.49 110.229 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 74.2 m . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.471 -0.776 . . . . 3.84 110.612 -179.925 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 12.1 pm0 . . . . . 0 N--CA 1.489 1.489 0 CA-C-O 121.085 0.469 . . . . 0.99 111.31 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 58.9 pttt -72.03 -18.37 61.96 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.32 0.581 . . . . 1.23 110.691 179.638 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 15.4 ptm -89.63 22.36 3.07 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 113.666 0.987 . . . . 0.76 113.666 -178.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 88.8 m -54.62 -46.97 73.95 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 112.087 0.403 . . . . 0.74 112.087 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 94.0 mt -59.26 -42.55 91.42 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.184 0.516 . . . . 0.89 111.087 179.673 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' CYS . . . . . 0.605 ' O ' ' HG ' ' B' ' 10' ' ' LEU . 31.7 m -65.46 -50.85 63.82 Favored 'General case' 0 C--O 1.219 -0.529 0 CA-C-N 116.154 -0.475 . . . . 0.44 111.717 179.659 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . 0.429 ' O ' ' HG ' ' B' ' 11' ' ' LEU . 0.4 OUTLIER -58.65 -36.04 58.16 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 N-CA-C 108.428 -0.953 . . . . 0.71 108.428 179.51 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 47.6 t -61.19 -28.68 69.31 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 109.097 -0.705 . . . . 0.44 109.097 176.079 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 1.5 t -88.26 -31.52 5.71 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.825 0 C-N-CA 120.404 -0.518 . . . . 0.52 111.397 178.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.605 ' HG ' ' O ' ' B' ' 6' ' ' CYS . 14.4 mt -64.39 -34.46 78.22 Favored 'General case' 0 CA--C 1.509 -0.616 0 N-CA-C 107.438 -1.319 . . . . 0.53 107.438 177.578 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.922 ' HA ' HG22 ' B' ' 14' ' ' THR . 3.9 pp -82.56 -36.44 26.27 Favored 'General case' 0 N--CA 1.441 -0.921 0 CA-C-N 113.96 -1.473 . . . . 0.39 110.361 178.043 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.7 -37.43 76.09 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 107.784 -1.191 . . . . 0.34 107.784 177.396 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 33.7 mt -67.54 -55.41 13.6 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.573 -0.74 . . . . 0.63 110.242 176.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . 0.922 HG22 ' HA ' ' B' ' 11' ' ' LEU . 5.8 t -59.23 -45.47 91.05 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 111.823 0.305 . . . . 0.52 111.823 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.598 ' HA ' HD23 ' B' ' 18' ' ' LEU . 76.1 t -62.08 -45.5 98.59 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.064 0 O-C-N 121.642 -0.661 . . . . 0.4 110.096 178.227 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . 0.478 ' CD1' HD11 ' B' ' 19' ' ' LEU . 49.9 t80 -54.82 -35.62 64.12 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 108.808 -0.812 . . . . 1.05 108.808 177.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.63 HD12 ' HA ' ' B' ' 14' ' ' THR . 21.5 mt -72.95 -33.62 66.02 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.975 -0.557 . . . . 0.67 111.056 177.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.598 HD23 ' HA ' ' B' ' 15' ' ' VAL . 0.2 OUTLIER -65.56 -49.69 67.94 Favored 'General case' 0 N--CA 1.424 -1.76 0 CA-C-O 121.636 0.731 . . . . 0.47 109.522 179.711 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.678 ' O ' HG12 ' B' ' 23' ' ' ILE . 2.1 pp -67.26 -48.83 66.55 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 114.917 -1.038 . . . . 0.47 110.987 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . 0.622 ' N ' HD12 ' B' ' 19' ' ' LEU . 4.6 tp -54.82 -27.74 19.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 109.705 -0.48 . . . . 0.61 109.705 177.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . 0.45 ' HB2' ' O ' ' B' ' 18' ' ' LEU . 43.7 m -74.64 -51.92 13.11 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 115.753 -0.658 . . . . 0.47 110.477 177.612 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 14.3 tptt -58.61 -39.71 81.22 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 115.16 -0.927 . . . . 1.02 110.09 179.625 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.678 HG12 ' O ' ' B' ' 19' ' ' LEU . 9.6 mm -65.52 -52.22 53.9 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 CA-C-N 115.841 -0.618 . . . . 0.6 112.106 179.555 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.404 ' HA ' ' HD3' ' B' ' 25' ' ' PRO . 9.3 m -136.27 130.26 18.16 Favored Pre-proline 0 N--CA 1.463 0.218 0 CA-C-O 121.087 0.47 . . . . 0.63 111.307 179.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' B' ' 24' ' ' VAL . 9.2 Cg_exo -72.39 117.71 5.26 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.606 2.204 . . . . 0.75 112.748 -179.496 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 8.7 Cg_endo -66.11 -36.34 29.82 Favored 'Trans proline' 0 N--CA 1.459 -0.53 0 C-N-CA 121.896 1.73 . . . . 1.06 111.496 179.281 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 91.0 m -166.5 119.64 1.05 Allowed 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.96 -0.564 . . . . 1.66 110.49 178.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 49.3 m . . . . . 0 C--O 1.25 1.113 0 CA-C-O 118.288 -0.863 . . . . 2.96 112.074 179.909 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' GLU . . . . . 0.645 ' CB ' ' HB ' ' B' ' 4' ' ' THR . 94.5 mt-10 . . . . . 0 N--CA 1.488 1.455 0 CA-C-O 121.126 0.488 . . . . 1.03 111.747 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 60.3 pttt -77.04 -30.57 55.72 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.77 -0.65 . . . . 1.45 111.511 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 18.1 ptm -108.93 20.7 18.13 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.402 -0.363 . . . . 1.04 111.916 -179.375 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . 0.645 ' HB ' ' CB ' ' B' ' 1' ' ' GLU . 7.1 t -57.68 -35.44 70.6 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 112.347 0.499 . . . . 0.55 112.347 -179.345 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 95.1 mt -70.52 -44.4 67.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.953 0.406 . . . . 0.71 111.251 179.591 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' CYS . . . . . . . . . . . . . 39.8 m -64.08 -49.02 73.9 Favored 'General case' 0 C--O 1.221 -0.4 0 N-CA-C 112.467 0.543 . . . . 0.56 112.467 -179.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . 0.567 HD12 HD11 ' B' ' 10' ' ' LEU . 5.3 tp -58.06 -41.7 81.12 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.498 0 N-CA-C 108.562 -0.903 . . . . 0.62 108.562 179.488 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 66.5 m -61.79 -27.07 68.49 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.839 -0.619 . . . . 0.41 109.834 176.541 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 2.1 t -88.47 -34.88 7.35 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.901 0 O-C-N 121.851 -0.531 . . . . 0.56 112.409 179.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.567 HD11 HD12 ' B' ' 7' ' ' ILE . 4.4 pp -68.65 -29.06 67.46 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 107.682 -1.229 . . . . 0.53 107.682 178.042 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' B' ' 7' ' ' ILE . 4.3 pp -83.65 -34.85 24.93 Favored 'General case' 0 N--CA 1.443 -0.805 0 CA-C-N 115.381 -0.827 . . . . 0.37 109.788 176.69 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . 0.462 ' N ' HD12 ' B' ' 11' ' ' LEU . . . -59.94 -39.14 84.53 Favored 'General case' 0 CA--C 1.512 -0.503 0 N-CA-C 107.725 -1.213 . . . . 0.44 107.725 177.399 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.414 ' O ' ' HG ' ' B' ' 17' ' ' LEU . 30.0 mt -66.25 -49.75 66.11 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.477 -0.783 . . . . 0.66 109.32 176.439 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . 0.437 ' HA ' HD12 ' B' ' 17' ' ' LEU . 98.3 m -57.12 -54.7 43.79 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.912 -0.586 . . . . 0.4 111.829 178.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.657 ' HA ' HD23 ' B' ' 18' ' ' LEU . 83.6 t -58.49 -44.55 89.26 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.169 0 O-C-N 122.104 -0.372 . . . . 0.45 110.846 178.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . 0.489 ' O ' HG23 ' B' ' 20' ' ' ILE . 48.7 t80 -53.24 -41.25 65.24 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.095 -0.706 . . . . 0.85 109.095 178.194 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.615 ' O ' ' HB2' ' B' ' 21' ' ' SER . 22.6 mt -68.15 -34.48 76.42 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.89 -0.596 . . . . 0.53 111.176 177.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.657 HD23 ' HA ' ' B' ' 15' ' ' VAL . 0.2 OUTLIER -65.49 -48.12 73.69 Favored 'General case' 0 N--CA 1.423 -1.777 0 CA-C-O 121.625 0.726 . . . . 0.47 110.046 179.819 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.549 HD12 HG23 ' B' ' 20' ' ' ILE . 1.6 pp -66.38 -49.54 66.5 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 114.899 -1.046 . . . . 0.53 111.649 -179.327 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . 0.551 HG12 ' HA ' ' B' ' 17' ' ' LEU . 32.1 pt -61.81 -23.2 30.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 C-N-CA 120.215 -0.594 . . . . 0.56 109.968 177.667 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . 0.615 ' HB2' ' O ' ' B' ' 17' ' ' LEU . 7.9 t -71.32 -61.83 1.63 Allowed 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.578 -0.737 . . . . 0.42 111.076 179.426 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 1.1 tptm -72.01 -41.25 67.81 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 115.221 -0.899 . . . . 0.91 111.306 -179.403 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 2.4 mt -93.97 64.5 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 112.422 0.527 . . . . 0.63 112.422 -178.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 15.8 m -67.3 137.27 93.84 Favored Pre-proline 0 CA--C 1.534 0.327 0 CA-C-O 121.109 0.48 . . . . 0.66 111.405 179.272 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -73.03 129.92 14.8 Favored 'Trans proline' 0 CA--C 1.535 0.527 0 C-N-CA 122.022 1.815 . . . . 0.87 112.687 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -69.08 48.07 0.49 Allowed 'Trans proline' 0 N--CA 1.48 0.708 0 C-N-CA 123.661 2.907 . . . . 1.45 113.691 -179.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 92.4 m -163.14 -52.86 0.04 OUTLIER 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.187 -0.461 . . . . 1.33 109.933 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 65.0 m . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.325 -0.845 . . . . 2.02 112.218 179.526 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 . . . . . 0 N--CA 1.487 1.422 0 CA-C-O 120.835 0.35 . . . . 1.35 111.043 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 56.2 pttt -62.41 -18.95 62.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.483 0.659 . . . . 1.8 110.284 178.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 19.8 ptp -105.6 10.06 33.11 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 115.201 -0.909 . . . . 1.13 112.272 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 20.7 m -58.18 -46.9 84.94 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-O 120.887 0.375 . . . . 0.8 111.739 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.785 HD23 ' H ' ' B' ' 5' ' ' LEU . 0.9 OUTLIER -66.53 -38.13 86.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.969 0.414 . . . . 0.97 110.97 179.133 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' CYS . . . . . 0.595 ' O ' ' HG ' ' B' ' 10' ' ' LEU . 30.8 m -65.57 -52.6 51.01 Favored 'General case' 0 C--O 1.22 -0.484 0 N-CA-C 112.277 0.473 . . . . 0.68 112.277 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . 0.425 ' O ' ' HG ' ' B' ' 11' ' ' LEU . 15.3 tt -59.49 -35.52 59.38 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.524 0 N-CA-C 108.925 -0.769 . . . . 0.64 108.925 179.586 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 43.7 t -61.95 -28.22 69.39 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 108.792 -0.818 . . . . 0.61 108.792 175.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 1.5 t -87.13 -31.9 6.17 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.747 0 C-N-CA 120.474 -0.49 . . . . 0.69 111.422 178.649 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.595 ' HG ' ' O ' ' B' ' 6' ' ' CYS . 14.3 mt -64.83 -34.49 78.5 Favored 'General case' 0 CA--C 1.509 -0.61 0 N-CA-C 107.496 -1.298 . . . . 0.65 107.496 177.659 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' B' ' 7' ' ' ILE . 4.0 pp -83.01 -34.48 26.29 Favored 'General case' 0 C--O 1.213 -0.824 0 CA-C-N 114.06 -1.427 . . . . 0.53 110.235 178.095 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.02 -38.66 83.33 Favored 'General case' 0 CA--C 1.515 -0.393 0 N-CA-C 107.756 -1.201 . . . . 0.44 107.756 177.253 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 29.9 mt -66.64 -50.48 62.81 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.346 -0.843 . . . . 0.75 109.441 176.531 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 89.8 m -57.49 -54.32 48.17 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.881 -0.6 . . . . 0.72 111.66 178.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.678 HG13 HD23 ' B' ' 18' ' ' LEU . 54.6 t -56.71 -47.97 81.63 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.153 0 O-C-N 122.21 -0.306 . . . . 0.52 110.542 178.656 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . 0.488 ' O ' HG12 ' B' ' 20' ' ' ILE . 28.0 t80 -51.93 -42.85 63.14 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.281 -0.637 . . . . 0.83 109.281 178.49 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 24.1 mt -68.01 -26.68 66.02 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 116.126 -0.488 . . . . 0.72 111.064 177.596 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.678 HD23 HG13 ' B' ' 15' ' ' VAL . 0.1 OUTLIER -64.61 -53.97 39.31 Favored 'General case' 0 N--CA 1.416 -2.152 0 N-CA-C 109.223 -0.658 . . . . 0.65 109.223 179.053 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.848 ' O ' HG13 ' B' ' 23' ' ' ILE . 0.0 OUTLIER -70.14 -36.07 74.5 Favored 'General case' 0 C--O 1.217 -0.616 0 C-N-CA 118.124 -1.43 . . . . 0.47 111.285 179.786 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . 0.608 ' N ' HD22 ' B' ' 19' ' ' LEU . 13.6 mm -55.81 -33.37 34.32 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 N-CA-C 108.833 -0.802 . . . . 0.57 108.833 176.218 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . 0.402 ' HB2' ' O ' ' B' ' 18' ' ' LEU . 73.2 m -72.93 -49.06 31.76 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 115.003 -0.999 . . . . 0.68 110.466 177.751 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 6.9 tptp -56.9 -39.36 74.26 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 115.006 -0.997 . . . . 1.27 110.08 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.848 HG13 ' O ' ' B' ' 19' ' ' LEU . 33.9 mt -68.79 -47.57 75.57 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 CA-C-N 115.751 -0.659 . . . . 0.67 112.013 179.27 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.478 ' HA ' ' HD3' ' B' ' 25' ' ' PRO . 6.5 p -158.0 128.54 3.54 Favored Pre-proline 0 CA--C 1.536 0.434 0 CA-C-O 121.248 0.547 . . . . 1.13 111.858 -179.517 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . 0.478 ' HD3' ' HA ' ' B' ' 24' ' ' VAL . 7.4 Cg_exo -73.88 119.36 5.84 Favored 'Trans proline' 0 CA--C 1.532 0.381 0 C-N-CA 122.616 2.211 . . . . 1.18 112.719 -179.766 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' PRO . . . . . 0.467 ' HD3' ' HA ' ' B' ' 25' ' ' PRO . 33.4 Cg_exo -62.22 -35.18 75.92 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 123.004 2.469 . . . . 1.75 112.083 179.632 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 94.9 m -161.35 119.26 2.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.824 -0.626 . . . . 2.26 109.977 179.344 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 30.3 t . . . . . 0 C--O 1.253 1.275 0 CA-C-O 118.15 -0.929 . . . . 3.56 111.098 -179.443 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' GLU . . . . . 1.055 ' HB2' ' HB ' ' B' ' 4' ' ' THR . 2.7 mp0 . . . . . 0 N--CA 1.494 1.733 0 CA-C-O 120.86 0.362 . . . . 1.34 111.425 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 57.8 pttt -62.12 -20.7 64.35 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.404 -0.816 . . . . 1.19 111.505 179.39 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 15.5 ptm -133.73 25.34 4.02 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.857 -0.61 . . . . 0.86 111.745 -179.429 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . 1.055 ' HB ' ' HB2' ' B' ' 1' ' ' GLU . 11.6 t -57.89 -37.16 73.48 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 115.995 -0.548 . . . . 0.72 112.267 -179.411 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 94.8 mt -70.41 -43.5 69.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.017 0.436 . . . . 0.94 111.153 179.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' CYS . . . . . . . . . . . . . 35.9 m -63.47 -49.46 73.53 Favored 'General case' 0 C--O 1.222 -0.357 0 N-CA-C 112.596 0.591 . . . . 0.57 112.596 -179.61 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . 0.628 ' HA ' ' HG ' ' B' ' 10' ' ' LEU . 14.0 tt -60.26 -38.61 78.02 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.564 0 N-CA-C 108.806 -0.812 . . . . 0.61 108.806 179.596 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 67.6 m -61.57 -26.96 68.29 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 109.187 -0.671 . . . . 0.4 109.187 176.107 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 2.1 t -88.06 -34.46 7.23 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.922 0 C-N-CA 120.447 -0.501 . . . . 0.57 112.051 179.191 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.628 ' HG ' ' HA ' ' B' ' 7' ' ' ILE . 4.7 pp -68.35 -28.7 67.37 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 107.839 -1.171 . . . . 0.62 107.839 178.069 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' B' ' 7' ' ' ILE . 4.1 pp -84.67 -34.84 22.93 Favored 'General case' 0 N--CA 1.442 -0.836 0 CA-C-N 115.533 -0.758 . . . . 0.4 109.763 176.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . 0.443 ' N ' HD12 ' B' ' 11' ' ' LEU . . . -59.72 -39.19 83.83 Favored 'General case' 0 CA--C 1.513 -0.472 0 N-CA-C 107.645 -1.242 . . . . 0.34 107.645 177.318 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.422 ' O ' ' HG ' ' B' ' 17' ' ' LEU . 32.5 mt -66.52 -50.28 63.75 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.418 -0.81 . . . . 0.72 109.25 176.526 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . 0.456 ' HA ' HD12 ' B' ' 17' ' ' LEU . 94.6 m -56.4 -54.46 45.35 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.988 -0.551 . . . . 0.59 111.876 178.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.604 ' HA ' HD23 ' B' ' 18' ' ' LEU . 82.3 t -59.28 -44.07 91.35 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.184 0 O-C-N 122.123 -0.361 . . . . 0.38 110.921 178.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . 0.549 ' O ' HG23 ' B' ' 20' ' ' ILE . 23.9 t80 -53.93 -40.22 66.55 Favored 'General case' 0 C--O 1.225 -0.232 0 N-CA-C 108.819 -0.808 . . . . 2.07 108.819 178.419 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.597 ' HA ' HG12 ' B' ' 20' ' ' ILE . 22.8 mt -68.77 -35.4 77.02 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.766 -0.652 . . . . 0.79 111.003 177.553 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.604 HD23 ' HA ' ' B' ' 15' ' ' VAL . 0.1 OUTLIER -63.56 -48.96 75.31 Favored 'General case' 0 N--CA 1.422 -1.834 0 CA-C-O 121.532 0.682 . . . . 0.51 109.787 179.685 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.893 ' O ' HG12 ' B' ' 23' ' ' ILE . 1.7 pp -66.42 -50.9 61.85 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 115.175 -0.921 . . . . 0.37 111.925 -179.498 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . 0.597 HG12 ' HA ' ' B' ' 17' ' ' LEU . 33.6 pt -54.88 -26.98 18.1 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-N 118.989 0.813 . . . . 0.64 109.765 177.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . 0.425 ' HB2' ' O ' ' B' ' 18' ' ' LEU . 69.7 m -75.09 -51.78 12.64 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.56 -0.745 . . . . 0.67 110.266 177.308 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . 0.549 ' HD2' ' HA ' ' B' ' 19' ' ' LEU . 0.3 OUTLIER -63.75 -26.2 68.54 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.447 -0.797 . . . . 0.69 111.976 -179.786 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.893 HG12 ' O ' ' B' ' 19' ' ' LEU . 13.1 mm -45.84 -45.53 5.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 N-CA-C 113.818 1.044 . . . . 0.65 113.818 -179.508 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.422 ' HA ' ' HD3' ' B' ' 25' ' ' PRO . 28.5 m -69.46 130.24 90.9 Favored Pre-proline 0 CA--C 1.539 0.552 0 CA-C-O 121.265 0.555 . . . . 0.66 112.453 -179.191 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . 0.443 ' HB2' ' HD3' ' B' ' 26' ' ' PRO . 51.4 Cg_exo -54.7 -49.14 17.78 Favored 'Trans proline' 0 CA--C 1.55 1.293 0 C-N-CA 123.241 2.627 . . . . 0.85 114.608 -179.531 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' PRO . . . . . 0.443 ' HD3' ' HB2' ' B' ' 25' ' ' PRO . 73.9 Cg_endo -83.21 -115.1 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.194 0 C-N-CA 121.744 1.629 . . . . 0.79 112.776 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . 0.443 ' H ' ' HB2' ' B' ' 26' ' ' PRO . 93.1 m -159.17 -47.89 0.06 Allowed 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 120.869 0.366 . . . . 1.42 111.221 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 74.3 m . . . . . 0 C--O 1.251 1.172 0 CA-C-O 117.854 -1.069 . . . . 2.07 110.642 179.762 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 47.8 mp0 . . . . . 0 N--CA 1.489 1.493 0 CA-C-O 120.776 0.322 . . . . 2.2 111.808 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 57.2 pttt -64.97 -24.71 67.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.285 0.564 . . . . 1.67 110.618 178.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 17.4 ptp -79.85 13.47 2.15 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 115.709 -0.678 . . . . 1.65 112.193 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 5.7 t -56.97 -38.82 73.54 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 120.934 0.397 . . . . 1.05 111.88 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 89.4 mt -69.37 -41.54 76.4 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 121.134 0.493 . . . . 0.98 110.691 179.004 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' CYS . . . . . 0.614 ' O ' ' HG ' ' B' ' 10' ' ' LEU . 20.4 m -64.16 -52.64 58.04 Favored 'General case' 0 C--O 1.222 -0.385 0 CA-C-N 115.984 -0.553 . . . . 0.54 112.247 -179.795 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . 0.463 ' O ' ' HG ' ' B' ' 11' ' ' LEU . 7.9 tp -58.05 -36.69 57.79 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.444 0 N-CA-C 108.886 -0.783 . . . . 0.92 108.886 179.605 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 71.3 m -61.68 -28.16 69.2 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 109.273 -0.64 . . . . 0.85 109.273 176.146 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 1.8 t -87.43 -32.56 6.31 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.807 0 C-N-CA 120.439 -0.504 . . . . 0.7 111.387 178.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.614 ' HG ' ' O ' ' B' ' 6' ' ' CYS . 14.2 mt -64.99 -34.06 77.53 Favored 'General case' 0 CA--C 1.509 -0.632 0 N-CA-C 107.545 -1.279 . . . . 0.78 107.545 177.664 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' B' ' 7' ' ' ILE . 4.1 pp -83.15 -34.73 25.97 Favored 'General case' 0 C--O 1.213 -0.82 0 CA-C-N 114.132 -1.395 . . . . 0.83 110.265 178.115 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.9 -39.41 85.27 Favored 'General case' 0 CA--C 1.515 -0.386 0 N-CA-C 107.528 -1.286 . . . . 0.61 107.528 177.288 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.411 ' O ' ' HG ' ' B' ' 17' ' ' LEU . 30.0 mt -65.77 -50.54 64.37 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.449 -0.796 . . . . 0.74 109.295 176.492 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . 0.498 ' HA ' HD12 ' B' ' 17' ' ' LEU . 93.9 m -56.85 -54.28 48.23 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.916 -0.584 . . . . 0.7 112.031 178.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.578 ' HA ' HD23 ' B' ' 18' ' ' LEU . 82.2 t -58.51 -46.03 89.95 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.143 0 O-C-N 122.057 -0.402 . . . . 0.75 110.958 179.141 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . 0.557 ' O ' HG23 ' B' ' 20' ' ' ILE . 2.9 m-30 -54.24 -39.95 67.28 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-O 121.435 0.636 . . . . 1.07 109.299 178.136 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.593 ' HA ' HG12 ' B' ' 20' ' ' ILE . 22.9 mt -66.69 -35.23 79.63 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.123 -0.49 . . . . 0.66 110.981 177.503 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.578 HD23 ' HA ' ' B' ' 15' ' ' VAL . 0.2 OUTLIER -63.72 -49.71 72.02 Favored 'General case' 0 N--CA 1.423 -1.791 0 CA-C-O 121.445 0.64 . . . . 0.8 110.146 179.845 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.529 HD12 HG23 ' B' ' 20' ' ' ILE . 1.4 pp -66.37 -44.9 81.87 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.003 -0.998 . . . . 0.79 112.401 -179.246 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . 0.593 HG12 ' HA ' ' B' ' 17' ' ' LEU . 33.5 pt -64.96 -21.87 30.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 C-N-CA 120.251 -0.58 . . . . 0.68 110.068 178.061 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 75.4 m -86.99 -55.66 3.73 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 115.935 -0.575 . . . . 0.49 112.062 179.696 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . 0.459 ' HB3' HG12 ' B' ' 24' ' ' VAL . 12.7 mptt -81.47 -7.5 59.59 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 115.986 -0.552 . . . . 1.35 112.331 -178.611 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 25.6 mt 31.79 64.08 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.553 0 C-N-CA 123.951 0.901 . . . . 0.92 113.049 179.061 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.459 HG12 ' HB3' ' B' ' 22' ' ' LYS . 7.6 p -143.95 134.12 11.97 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 115.406 -0.815 . . . . 1.71 110.677 -178.8 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . 0.447 ' HA ' ' HD3' ' B' ' 26' ' ' PRO . 3.6 Cg_exo -66.57 125.35 13.71 Favored 'Trans proline' 0 N--CA 1.458 -0.585 0 C-N-CA 121.799 1.666 . . . . 1.74 112.588 -179.732 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' B' ' 25' ' ' PRO . 32.3 Cg_exo -60.48 -25.66 81.04 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.763 2.309 . . . . 2.89 111.513 179.23 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 5.8 t -169.7 -26.68 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 115.314 -0.857 . . . . 3.81 111.055 178.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 66.5 m . . . . . 0 C--O 1.252 1.219 0 CA-C-O 117.919 -1.039 . . . . 4.73 110.547 179.336 . . . . . . . . 0 0 . 1 stop_ save_