data_1zwf_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 1zwf _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 ' A' A ' 15' ' ' SER . . . . . 0.518 ' HA ' ' HD3' ' A' ' 18' ' ' ARG . 24.2 m . . . . . 0 N--CA 1.534 3.746 0 N-CA-C 114.83 1.419 . . . . 0.0 114.83 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.554 ' HA ' ' CG1' ' A' ' 19' ' ' VAL . 0.2 OUTLIER -81.1 6.55 13.35 Favored 'General case' 0 N--CA 1.517 2.89 0 CA-C-N 119.811 1.187 . . . . 0.0 112.638 -179.69 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -105.33 -34.83 7.73 Favored 'General case' 0 N--CA 1.495 1.818 0 N-CA-C 106.131 -1.803 . . . . 0.0 106.131 175.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.518 ' HD3' ' HA ' ' A' ' 15' ' ' SER . 0.6 OUTLIER -62.51 -44.41 96.43 Favored 'General case' 0 N--CA 1.495 1.81 0 C-N-CA 124.027 0.931 . . . . 0.0 108.545 177.413 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.554 ' CG1' ' HA ' ' A' ' 16' ' ' MET . 1.4 p -50.71 -47.71 28.29 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 CA-C-N 115.219 -0.9 . . . . 0.0 110.428 179.598 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -81.66 -34.68 30.63 Favored 'General case' 0 N--CA 1.514 2.745 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 177.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 17.6 t90 -58.08 -38.47 76.44 Favored 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 177.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.78 -37.25 78.53 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.032 -177.609 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.6 ttm105 -60.06 -52.2 66.39 Favored 'General case' 0 N--CA 1.495 1.813 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 177.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.55 -39.94 88.79 Favored 'General case' 0 N--CA 1.505 2.299 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 178.495 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.51 -40.21 68.35 Favored 'General case' 0 N--CA 1.512 2.633 0 CA-C-N 118.01 0.368 . . . . 0.0 110.127 179.051 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.5 tp -64.61 -40.77 96.09 Favored 'General case' 0 N--CA 1.504 2.254 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 177.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -68.96 -28.41 66.61 Favored 'General case' 0 N--CA 1.51 2.529 0 O-C-N 121.761 -0.587 . . . . 0.0 110.261 178.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -70.44 -50.55 37.11 Favored 'General case' 0 N--CA 1.505 2.285 0 O-C-N 121.657 -0.652 . . . . 0.0 111.725 -178.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 34.7 m . . . . . 0 N--CA 1.514 2.732 0 N-CA-C 113.133 0.79 . . . . 0.0 113.133 -177.567 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.621 ' N ' ' HD3' ' A' ' 18' ' ' ARG . 91.4 p . . . . . 1 N--CA 1.569 5.483 0 N-CA-C 121.51 3.892 . . . . 0.0 121.51 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.594 ' HA ' HG13 ' A' ' 19' ' ' VAL . 0.3 OUTLIER -78.44 -24.88 45.88 Favored 'General case' 0 N--CA 1.534 3.725 0 O-C-N 119.566 -1.959 . . . . 0.0 113.732 -173.273 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.589 ' HG2' ' CZ ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -88.39 14.37 9.77 Favored 'General case' 1 N--CA 1.552 4.644 0 N-CA-C 106.778 -1.564 . . . . 0.0 106.778 172.461 . . . . . . . . 4 4 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.621 ' HD3' ' N ' ' A' ' 15' ' ' SER . 4.5 mpt_? -121.97 -42.06 2.41 Favored 'General case' 0 C--O 1.203 -1.346 0 C-N-CA 124.601 1.16 . . . . 0.0 110.092 -172.087 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.594 HG13 ' HA ' ' A' ' 16' ' ' MET . 2.3 p -54.62 -36.4 35.64 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 N-CA-C 107.532 -1.284 . . . . 0.0 107.532 175.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -86.9 -36.26 18.5 Favored 'General case' 0 N--CA 1.512 2.672 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 175.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.612 ' HB3' ' HA ' ' A' ' 18' ' ' ARG . 16.3 t90 -53.18 -40.25 64.23 Favored 'General case' 0 N--CA 1.508 2.431 0 N-CA-C 108.785 -0.821 . . . . 0.0 108.785 175.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -56.93 -37.1 71.03 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.5 -178.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.99 -48.04 82.11 Favored 'General case' 0 N--CA 1.497 1.904 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 176.595 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.4 ttmt -67.67 -30.82 70.45 Favored 'General case' 0 N--CA 1.506 2.327 0 O-C-N 122.313 -0.242 . . . . 0.0 110.437 178.138 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.65 -39.32 73.48 Favored 'General case' 0 N--CA 1.513 2.684 0 CA-C-N 118.465 0.575 . . . . 0.0 110.219 179.565 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.6 tp -64.4 -39.47 93.92 Favored 'General case' 0 N--CA 1.505 2.282 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 177.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -72.27 -33.78 67.72 Favored 'General case' 0 N--CA 1.507 2.413 0 O-C-N 121.929 -0.482 . . . . 0.0 110.219 178.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 39.7 m-20 -56.04 -39.25 71.7 Favored 'General case' 0 N--CA 1.511 2.612 0 O-C-N 121.758 -0.589 . . . . 0.0 110.595 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 30.2 m . . . . . 0 N--CA 1.512 2.639 0 O-C-N 121.824 -0.547 . . . . 0.0 111.856 179.307 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.497 1.904 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.583 ' HA ' ' CG1' ' A' ' 19' ' ' VAL . 7.1 ttp -97.48 -9.26 27.52 Favored 'General case' 0 N--CA 1.502 2.166 0 CA-C-O 119.129 -0.462 . . . . 0.0 112.152 -179.435 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -95.36 -27.97 15.18 Favored 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 104.773 -2.306 . . . . 0.0 104.773 174.478 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.581 ' HG2' ' N ' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -63.28 -44.69 94.37 Favored 'General case' 0 N--CA 1.497 1.892 0 C-N-CA 125.161 1.384 . . . . 0.0 109.782 177.196 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.583 ' CG1' ' HA ' ' A' ' 16' ' ' MET . 1.5 p -58.82 -45.64 91.38 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.017 0 CA-C-N 114.425 -1.261 . . . . 0.0 109.784 -177.489 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -78.76 -34.01 46.01 Favored 'General case' 0 N--CA 1.512 2.654 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 177.01 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 23.2 t90 -57.95 -42.59 85.26 Favored 'General case' 0 N--CA 1.5 2.043 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 177.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.457 ' HA ' ' HB2' ' A' ' 25' ' ' LYS . 1.9 mm? -61.2 -36.82 80.94 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.934 -177.742 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.1 mtm-85 -57.25 -52.93 63.33 Favored 'General case' 0 N--CA 1.502 2.143 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 177.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.96 -39.38 90.37 Favored 'General case' 0 N--CA 1.502 2.154 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 178.338 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.457 ' HB2' ' HA ' ' A' ' 22' ' ' LEU . 0.1 OUTLIER -55.64 -39.28 70.65 Favored 'General case' 0 N--CA 1.513 2.694 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 177.925 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.4 tp -62.13 -42.63 99.43 Favored 'General case' 0 N--CA 1.5 2.067 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 177.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -65.72 -31.36 72.31 Favored 'General case' 0 N--CA 1.505 2.318 0 O-C-N 121.892 -0.505 . . . . 0.0 110.369 178.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -61.72 -19.79 62.79 Favored 'General case' 0 N--CA 1.511 2.578 0 O-C-N 121.687 -0.633 . . . . 0.0 111.501 179.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 48.2 t . . . . . 0 N--CA 1.506 2.347 0 O-C-N 121.211 -0.93 . . . . 0.0 110.063 -179.907 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.527 ' HA ' ' HG2' ' A' ' 18' ' ' ARG . 0.6 OUTLIER . . . . . 0 N--CA 1.505 2.294 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.562 ' HA ' HG13 ' A' ' 19' ' ' VAL . 1.2 ptp -104.76 -10.71 17.24 Favored 'General case' 0 N--CA 1.508 2.454 0 CA-C-N 119.52 1.055 . . . . 0.0 111.585 -179.476 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.1 -23.65 15.65 Favored 'General case' 0 N--CA 1.506 2.327 0 N-CA-C 105.594 -2.002 . . . . 0.0 105.594 174.197 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.527 ' HG2' ' HA ' ' A' ' 15' ' ' SER . 0.0 OUTLIER -70.67 -36.24 73.23 Favored 'General case' 0 N--CA 1.501 2.077 0 C-N-CA 123.986 0.914 . . . . 0.0 110.492 177.867 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.562 HG13 ' HA ' ' A' ' 16' ' ' MET . 0.9 OUTLIER -61.09 -45.12 99.2 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.865 0 CA-C-N 115.372 -0.831 . . . . 0.0 108.812 -178.467 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -77.17 -35.17 56.18 Favored 'General case' 0 N--CA 1.508 2.441 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 176.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 20.7 t90 -58.59 -41.81 86.64 Favored 'General case' 0 N--CA 1.493 1.709 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 177.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.409 ' HG ' ' N ' ' A' ' 23' ' ' ARG . 0.1 OUTLIER -64.64 -41.56 96.05 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 -177.787 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.409 ' N ' ' HG ' ' A' ' 22' ' ' LEU . 6.7 ttp180 -64.37 -43.64 93.88 Favored 'General case' 0 N--CA 1.497 1.887 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 177.532 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.54 -44.9 85.44 Favored 'General case' 0 N--CA 1.5 2.067 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 178.237 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.18 -37.69 72.51 Favored 'General case' 0 N--CA 1.51 2.563 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 178.786 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.0 tt -61.76 -34.49 75.95 Favored 'General case' 0 N--CA 1.508 2.456 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 178.093 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -85.59 -35.34 21.08 Favored 'General case' 0 N--CA 1.503 2.223 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 178.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -59.06 -53.95 52.56 Favored 'General case' 0 N--CA 1.514 2.752 0 N-CA-C 106.652 -1.61 . . . . 0.0 106.652 177.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 57.2 t . . . . . 0 N--CA 1.498 1.935 0 N-CA-C 105.224 -2.139 . . . . 0.0 105.224 174.477 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.492 ' CA ' ' HG3' ' A' ' 18' ' ' ARG . 59.3 p . . . . . 0 N--CA 1.517 2.894 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -77.77 -19.06 55.76 Favored 'General case' 0 N--CA 1.506 2.364 0 CA-C-N 119.502 1.046 . . . . 0.0 108.425 178.355 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -72.73 -31.2 64.78 Favored 'General case' 0 N--CA 1.507 2.379 0 N-CA-C 106.071 -1.826 . . . . 0.0 106.071 173.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.706 ' HB2' ' CD1' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -90.82 -91.27 0.15 Allowed 'General case' 0 C--O 1.204 -1.313 0 CA-C-O 117.545 -1.217 . . . . 0.0 109.85 179.59 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER 47.68 -68.14 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.51 2.542 0 C-N-CA 125.59 1.556 . . . . 0.0 111.352 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.503 ' N ' ' O ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -61.34 -33.59 73.88 Favored 'General case' 0 N--CA 1.501 2.088 0 N-CA-C 106.757 -1.572 . . . . 0.0 106.757 174.342 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.706 ' CD1' ' HB2' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -50.89 -45.52 60.22 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.937 0.895 . . . . 0.0 109.262 175.837 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.488 ' N ' ' CD1' ' A' ' 21' ' ' TRP . 0.2 OUTLIER -67.12 -38.93 86.44 Favored 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 114.992 -1.004 . . . . 0.0 110.031 -176.453 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -67.56 -42.57 82.41 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 178.412 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.57 -32.66 66.2 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.695 -0.628 . . . . 0.0 109.383 178.103 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.407 ' HE2' ' CH2' ' A' ' 21' ' ' TRP . 0.1 OUTLIER -50.48 -40.02 49.84 Favored 'General case' 0 N--CA 1.514 2.731 0 C-N-CA 122.702 0.401 . . . . 0.0 110.852 179.401 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.6 mt -55.87 -36.11 67.24 Favored 'General case' 0 N--CA 1.514 2.767 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 178.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -83.8 -36.51 23.48 Favored 'General case' 0 N--CA 1.503 2.192 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 178.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -59.54 -42.6 92.7 Favored 'General case' 0 N--CA 1.509 2.522 0 O-C-N 121.957 -0.464 . . . . 0.0 111.596 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.511 2.582 0 O-C-N 121.571 -0.706 . . . . 0.0 112.464 -178.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.483 ' O ' ' HG3' ' A' ' 18' ' ' ARG . 1.6 m . . . . . 0 N--CA 1.521 3.077 0 N-CA-C 113.512 0.93 . . . . 0.0 113.512 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.494 ' HA ' HG13 ' A' ' 19' ' ' VAL . 7.6 mtp -79.58 -15.3 57.92 Favored 'General case' 0 N--CA 1.517 2.911 0 CA-C-N 120.372 1.442 . . . . 0.0 110.05 179.114 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -92.12 -28.52 17.05 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 106.671 -1.603 . . . . 0.0 106.671 174.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.732 ' HA ' ' HB3' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -83.59 -28.67 28.37 Favored 'General case' 0 C--O 1.191 -1.996 0 CA-C-O 122.963 1.363 . . . . 0.0 113.277 -179.86 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.494 HG13 ' HA ' ' A' ' 16' ' ' MET . 0.2 OUTLIER -44.53 -43.05 2.27 Favored 'Isoleucine or valine' 0 C--N 1.254 -3.56 0 O-C-N 120.112 -1.617 . . . . 0.0 110.373 -178.018 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -76.98 -35.22 57.35 Favored 'General case' 0 N--CA 1.526 3.327 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 175.334 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.732 ' HB3' ' HA ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -50.07 -45.86 52.81 Favored 'General case' 0 N--CA 1.509 2.483 0 C-N-CA 125.072 1.349 . . . . 0.0 109.043 175.56 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.449 ' N ' ' CD1' ' A' ' 21' ' ' TRP . 6.0 mt -56.97 -41.33 78.15 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.402 -176.037 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.9 -39.15 64.08 Favored 'General case' 0 N--CA 1.493 1.711 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.061 178.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.502 ' O ' ' HG3' ' A' ' 27' ' ' GLN . 11.7 tptp -76.53 -51.67 11.24 Favored 'General case' 0 N--CA 1.51 2.555 0 O-C-N 121.686 -0.634 . . . . 0.0 111.112 -179.038 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.435 ' HE3' HD22 ' A' ' 22' ' ' LEU . 1.6 pptp? -65.69 -27.7 68.53 Favored 'General case' 0 N--CA 1.506 2.341 0 O-C-N 121.05 -1.031 . . . . 0.0 110.623 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 47.5 tp -66.6 -53.46 34.16 Favored 'General case' 0 N--CA 1.507 2.413 0 O-C-N 121.415 -0.803 . . . . 0.0 109.077 178.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.502 ' HG3' ' O ' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -62.89 -31.69 72.8 Favored 'General case' 0 N--CA 1.509 2.522 0 O-C-N 121.865 -0.522 . . . . 0.0 109.754 178.735 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -68.71 -39.05 80.63 Favored 'General case' 0 N--CA 1.506 2.338 0 O-C-N 121.628 -0.67 . . . . 0.0 109.238 177.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 42.4 t . . . . . 0 N--CA 1.512 2.653 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 178.168 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.517 2.893 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.636 ' HA ' HG13 ' A' ' 19' ' ' VAL . 1.2 ttt -71.62 -4.11 25.32 Favored 'General case' 0 N--CA 1.511 2.594 0 CA-C-N 119.094 0.861 . . . . 0.0 111.343 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -95.84 -28.8 14.55 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 106.024 -1.843 . . . . 0.0 106.024 174.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.494 ' HG2' ' N ' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -64.07 -38.16 90.05 Favored 'General case' 0 N--CA 1.504 2.27 0 CA-C-O 121.985 0.898 . . . . 0.0 109.767 177.64 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.636 HG13 ' HA ' ' A' ' 16' ' ' MET . 0.5 OUTLIER -63.64 -47.26 92.06 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.719 0 CA-C-N 114.568 -1.196 . . . . 0.0 108.993 -177.549 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -74.73 -31.45 61.83 Favored 'General case' 0 N--CA 1.513 2.692 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 175.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 23.3 t90 -63.07 -38.47 91.33 Favored 'General case' 0 N--CA 1.497 1.88 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 177.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.71 -35.82 80.96 Favored 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 -178.184 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.9 -37.53 81.84 Favored 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 177.296 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.29 -11.89 53.68 Favored 'General case' 0 N--CA 1.503 2.224 0 O-C-N 121.785 -0.572 . . . . 0.0 111.096 178.147 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.38 -35.24 67.49 Favored 'General case' 0 N--CA 1.513 2.684 0 CA-C-N 119.315 0.961 . . . . 0.0 110.658 -179.664 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.5 tp -60.35 -38.1 82.76 Favored 'General case' 0 N--CA 1.507 2.418 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 177.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 49.2 mm-40 -80.75 -29.83 36.22 Favored 'General case' 0 N--CA 1.504 2.225 0 O-C-N 121.819 -0.551 . . . . 0.0 109.983 178.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -58.34 -51.18 70.86 Favored 'General case' 0 N--CA 1.512 2.653 0 N-CA-C 106.941 -1.503 . . . . 0.0 106.941 177.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.4 t . . . . . 0 N--CA 1.505 2.321 0 N-CA-C 106.301 -1.74 . . . . 0.0 106.301 175.55 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.62 ' HA ' ' CG ' ' A' ' 18' ' ' ARG . 6.1 m . . . . . 0 N--CA 1.511 2.607 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 13.4 ttp 79.66 -42.75 0.27 Allowed 'General case' 0 N--CA 1.521 3.118 0 C-N-CA 123.57 0.748 . . . . 0.0 109.299 -178.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.79 -20.34 62.61 Favored 'General case' 0 N--CA 1.499 2.002 0 N-CA-C 104.632 -2.359 . . . . 0.0 104.632 171.343 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.826 ' HB2' ' CD1' ' A' ' 21' ' ' TRP . 0.8 OUTLIER -97.6 -92.58 0.24 Allowed 'General case' 0 C--O 1.202 -1.426 0 CA-C-O 117.591 -1.195 . . . . 0.0 110.015 179.119 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER 43.81 -66.67 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.511 2.598 0 C-N-CA 126.576 1.95 . . . . 0.0 112.777 179.287 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 18' ' ' ARG . 3.8 mm-40 -60.97 -29.31 69.58 Favored 'General case' 0 N--CA 1.512 2.655 0 N-CA-C 106.614 -1.624 . . . . 0.0 106.614 173.823 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.826 ' CD1' ' HB2' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -54.29 -44.19 71.71 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 124.633 1.173 . . . . 0.0 109.496 176.107 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.491 ' HG ' ' CD1' ' A' ' 21' ' ' TRP . 6.2 mt -62.88 -42.05 99.62 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.435 -177.693 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.9 ttp180 -66.24 -41.42 90.03 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 177.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.35 -21.6 55.91 Favored 'General case' 0 N--CA 1.506 2.338 0 O-C-N 121.819 -0.551 . . . . 0.0 111.39 179.014 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -56.88 -37.85 71.94 Favored 'General case' 0 N--CA 1.514 2.749 0 CA-C-N 118.9 0.773 . . . . 0.0 110.206 179.622 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 25.8 mt -62.62 -38.8 91.63 Favored 'General case' 0 N--CA 1.513 2.678 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 177.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -81.67 -4.72 56.93 Favored 'General case' 0 N--CA 1.505 2.303 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.291 179.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -110.26 -7.14 14.88 Favored 'General case' 0 N--CA 1.508 2.43 0 O-C-N 121.356 -0.84 . . . . 0.0 111.189 179.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 71.3 t . . . . . 0 N--CA 1.504 2.256 0 O-C-N 121.118 -0.989 . . . . 0.0 110.431 -178.855 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.536 ' HA ' ' CG ' ' A' ' 18' ' ' ARG . 0.5 OUTLIER . . . . . 0 N--CA 1.516 2.867 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.82 -19.85 26.9 Favored 'General case' 0 N--CA 1.516 2.864 0 CA-C-N 119.727 1.149 . . . . 0.0 109.244 178.394 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -82.56 -20.37 36.7 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 106.096 -1.816 . . . . 0.0 106.096 173.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.699 ' HB2' ' CD1' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -92.41 -84.48 0.28 Allowed 'General case' 0 C--O 1.197 -1.662 0 CA-C-O 117.124 -1.417 . . . . 0.0 108.923 177.444 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.407 ' H ' ' CG ' ' A' ' 18' ' ' ARG . 0.2 OUTLIER 35.13 -71.55 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.504 2.27 0 C-N-CA 126.438 1.895 . . . . 0.0 113.2 178.717 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 18' ' ' ARG . 0.9 OUTLIER -56.95 -33.41 66.99 Favored 'General case' 0 N--CA 1.515 2.813 0 N-CA-C 107.182 -1.414 . . . . 0.0 107.182 174.597 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.699 ' CD1' ' HB2' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -50.5 -49.03 56.63 Favored 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 124.976 1.31 . . . . 0.0 109.383 175.519 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.41 ' N ' ' CD1' ' A' ' 21' ' ' TRP . 0.2 OUTLIER -61.24 -38.51 86.91 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 114.742 -1.117 . . . . 0.0 110.95 -175.58 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.41 -44.27 58.74 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 178.191 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.434 ' HE2' ' HB2' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -65.54 -30.89 71.69 Favored 'General case' 0 N--CA 1.503 2.208 0 O-C-N 122.04 -0.412 . . . . 0.0 110.905 179.623 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.405 ' HD3' ' CH2' ' A' ' 21' ' ' TRP . 2.6 mmmt -53.4 -41.87 66.38 Favored 'General case' 0 N--CA 1.512 2.658 0 CA-C-N 118.463 0.574 . . . . 0.0 110.498 179.398 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.4 tp -64.39 -41.71 96.53 Favored 'General case' 0 N--CA 1.507 2.415 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 178.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.434 ' HB2' ' HE2' ' A' ' 24' ' ' LYS . 33.7 mt-30 -80.4 -7.82 59.27 Favored 'General case' 0 N--CA 1.51 2.564 0 O-C-N 121.946 -0.471 . . . . 0.0 111.581 179.172 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -106.37 -12.74 15.57 Favored 'General case' 0 N--CA 1.505 2.304 0 O-C-N 121.28 -0.887 . . . . 0.0 111.289 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 92.6 t . . . . . 0 N--CA 1.505 2.29 0 O-C-N 121.275 -0.891 . . . . 0.0 109.929 -179.565 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.688 ' HA ' ' HG2' ' A' ' 18' ' ' ARG . 5.1 m . . . . . 0 N--CA 1.504 2.262 0 CA-C-O 120.814 0.34 . . . . 0.0 110.335 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.608 ' HA ' ' CG1' ' A' ' 19' ' ' VAL . 1.2 mtp 76.98 -34.62 0.22 Allowed 'General case' 0 N--CA 1.524 3.239 0 C-N-CA 123.878 0.871 . . . . 0.0 111.078 -179.174 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -88.05 -27.24 22.12 Favored 'General case' 0 N--CA 1.498 1.944 0 N-CA-C 105.042 -2.207 . . . . 0.0 105.042 173.067 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.688 ' HG2' ' HA ' ' A' ' 15' ' ' SER . 0.6 OUTLIER -69.42 -29.82 67.63 Favored 'General case' 0 N--CA 1.5 2.073 0 C-N-CA 124.26 1.024 . . . . 0.0 112.027 177.389 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.608 ' CG1' ' HA ' ' A' ' 16' ' ' MET . 1.2 p -74.75 -47.1 39.51 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.846 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 -176.457 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -68.99 -33.52 73.82 Favored 'General case' 0 N--CA 1.509 2.497 0 N-CA-C 106.975 -1.491 . . . . 0.0 106.975 175.079 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.587 ' CE2' ' HD3' ' A' ' 25' ' ' LYS . 23.5 t90 -60.8 -45.88 92.67 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 176.712 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.555 ' HA ' ' HG2' ' A' ' 25' ' ' LYS . 0.2 OUTLIER -61.48 -37.67 84.49 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 120.479 -0.488 . . . . 0.0 110.022 -178.187 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.3 ttp180 -65.39 -40.43 93.45 Favored 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 107.309 -1.367 . . . . 0.0 107.309 176.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.16 -28.61 69.78 Favored 'General case' 0 N--CA 1.503 2.194 0 O-C-N 122.177 -0.327 . . . . 0.0 110.397 177.416 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.587 ' HD3' ' CE2' ' A' ' 21' ' ' TRP . 0.2 OUTLIER -55.35 -39.55 70.17 Favored 'General case' 0 N--CA 1.517 2.918 0 CA-C-N 118.766 0.712 . . . . 0.0 109.75 179.051 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.0 tt -60.39 -47.96 83.81 Favored 'General case' 0 N--CA 1.507 2.383 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 177.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -62.62 -30.34 71.28 Favored 'General case' 0 N--CA 1.505 2.316 0 O-C-N 122.188 -0.32 . . . . 0.0 110.188 178.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -66.96 -48.28 69.02 Favored 'General case' 0 N--CA 1.507 2.382 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 178.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.9 t . . . . . 0 N--CA 1.516 2.851 0 O-C-N 121.895 -0.503 . . . . 0.0 109.79 179.045 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.554 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 70.86 133.49 0.04 OUTLIER 'General case' 0 N--CA 1.516 2.828 0 CA-C-O 121.455 0.645 . . . . 0.0 111.142 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.467 ' HB ' ' HB2' ' A' ' 6' ' ' MET . 26.0 mm -123.84 158.0 30.14 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.387 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 179.443 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 6.1 pm0 -58.97 -35.07 72.57 Favored 'General case' 0 N--CA 1.516 2.864 0 O-C-N 121.962 -0.462 . . . . 0.0 111.018 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -91.03 -30.35 16.84 Favored 'General case' 0 N--CA 1.508 2.462 0 O-C-N 121.647 -0.658 . . . . 0.0 110.272 178.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.467 ' HB2' ' HB ' ' A' ' 3' ' ' ILE . 0.7 OUTLIER -69.73 -34.73 74.25 Favored 'General case' 0 N--CA 1.509 2.49 0 O-C-N 121.756 -0.59 . . . . 0.0 110.595 179.469 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.444 ' HA ' ' CE ' ' A' ' 11' ' ' LYS . 1.0 OUTLIER -57.76 -47.27 82.97 Favored 'General case' 0 N--CA 1.507 2.389 0 O-C-N 121.965 -0.459 . . . . 0.0 110.558 -179.876 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -93.24 169.76 10.14 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 122.014 -0.429 . . . . 0.0 110.284 179.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 72.94 -77.6 0.05 Allowed 'General case' 0 N--CA 1.508 2.466 0 C-N-CA 123.518 0.727 . . . . 0.0 110.529 179.633 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -119.78 80.51 0.32 Allowed Glycine 0 N--CA 1.489 2.178 0 N-CA-C 110.459 -1.056 . . . . 0.0 110.459 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.511 ' HE2' ' HA ' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -66.0 -48.8 70.0 Favored 'General case' 0 N--CA 1.508 2.445 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 178.429 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -118.47 142.91 47.1 Favored 'General case' 0 N--CA 1.504 2.245 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 177.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.472 HD21 ' N ' ' A' ' 18' ' ' ARG . 0.1 OUTLIER -150.81 169.06 22.59 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 115.459 1.652 . . . . 0.0 115.459 -176.541 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -128.58 140.92 51.54 Favored 'General case' 0 N--CA 1.485 1.324 0 CA-C-N 113.333 -1.758 . . . . 0.0 106.853 178.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.518 ' HA ' ' HD3' ' A' ' 18' ' ' ARG . 24.2 m -33.52 -47.82 0.24 Allowed 'General case' 0 N--CA 1.534 3.746 0 N-CA-C 114.83 1.419 . . . . 0.0 114.83 -176.8 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.554 ' HA ' ' CG1' ' A' ' 19' ' ' VAL . 0.2 OUTLIER -81.1 6.55 13.35 Favored 'General case' 0 N--CA 1.517 2.89 0 CA-C-N 119.811 1.187 . . . . 0.0 112.638 -179.69 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -105.33 -34.83 7.73 Favored 'General case' 0 N--CA 1.495 1.818 0 N-CA-C 106.131 -1.803 . . . . 0.0 106.131 175.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.518 ' HD3' ' HA ' ' A' ' 15' ' ' SER . 0.6 OUTLIER -62.51 -44.41 96.43 Favored 'General case' 0 N--CA 1.495 1.81 0 C-N-CA 124.027 0.931 . . . . 0.0 108.545 177.413 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.554 ' CG1' ' HA ' ' A' ' 16' ' ' MET . 1.4 p -50.71 -47.71 28.29 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 CA-C-N 115.219 -0.9 . . . . 0.0 110.428 179.598 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -81.66 -34.68 30.63 Favored 'General case' 0 N--CA 1.514 2.745 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 177.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 17.6 t90 -58.08 -38.47 76.44 Favored 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 177.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.78 -37.25 78.53 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.032 -177.609 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.6 ttm105 -60.06 -52.2 66.39 Favored 'General case' 0 N--CA 1.495 1.813 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 177.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.55 -39.94 88.79 Favored 'General case' 0 N--CA 1.505 2.299 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 178.495 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.51 -40.21 68.35 Favored 'General case' 0 N--CA 1.512 2.633 0 CA-C-N 118.01 0.368 . . . . 0.0 110.127 179.051 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.5 tp -64.61 -40.77 96.09 Favored 'General case' 0 N--CA 1.504 2.254 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 177.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -68.96 -28.41 66.61 Favored 'General case' 0 N--CA 1.51 2.529 0 O-C-N 121.761 -0.587 . . . . 0.0 110.261 178.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -70.44 -50.55 37.11 Favored 'General case' 0 N--CA 1.505 2.285 0 O-C-N 121.657 -0.652 . . . . 0.0 111.725 -178.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.541 ' HB ' ' CD1' ' A' ' 32' ' ' PHE . 34.7 m -123.6 -32.28 1.21 Allowed 'Isoleucine or valine' 0 N--CA 1.514 2.732 0 N-CA-C 113.133 0.79 . . . . 0.0 113.133 -177.567 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 46.47 -97.0 0.03 OUTLIER 'General case' 0 N--CA 1.531 3.613 0 CA-C-N 119.394 0.997 . . . . 0.0 111.406 177.461 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 36.0 t30 -102.13 -50.61 3.59 Favored 'General case' 0 N--CA 1.505 2.312 0 O-C-N 121.189 -0.945 . . . . 0.0 109.366 179.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.541 ' CD1' ' HB ' ' A' ' 29' ' ' VAL . 21.8 p90 38.88 29.48 0.03 OUTLIER 'General case' 0 N--CA 1.532 3.635 0 N-CA-C 113.658 0.985 . . . . 0.0 113.658 179.438 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.4 t 56.49 18.94 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.512 2.654 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 -177.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 46.2 40.88 8.03 Favored 'General case' 0 N--CA 1.492 1.643 0 CA-C-O 121.901 0.858 . . . . 0.0 110.094 -178.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.7 tt . . . . . 0 N--CA 1.493 1.695 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.668 -179.11 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.48 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -89.28 136.94 32.74 Favored 'General case' 0 N--CA 1.504 2.25 0 CA-C-O 121.145 0.498 . . . . 0.0 109.861 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.0 mp -86.81 160.24 3.03 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.596 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 179.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 35.4 tp60 -57.22 -45.75 83.58 Favored 'General case' 0 N--CA 1.51 2.567 0 O-C-N 121.562 -0.711 . . . . 0.0 109.346 178.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.5 pp -66.58 -34.56 78.16 Favored 'General case' 0 N--CA 1.51 2.55 0 O-C-N 121.893 -0.505 . . . . 0.0 109.647 177.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.03 -17.36 62.62 Favored 'General case' 0 N--CA 1.505 2.284 0 O-C-N 121.807 -0.558 . . . . 0.0 111.019 178.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.9 -36.02 74.0 Favored 'General case' 0 N--CA 1.509 2.483 0 CA-C-N 119.099 0.863 . . . . 0.0 109.665 178.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 70.3 m-80 -69.81 -39.86 76.28 Favored 'General case' 0 N--CA 1.505 2.3 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 177.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.1 tt -62.86 -47.43 83.38 Favored 'General case' 0 N--CA 1.506 2.356 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 178.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -92.97 54.91 2.57 Favored Glycine 0 N--CA 1.5 2.914 0 N-CA-C 109.247 -1.541 . . . . 0.0 109.247 178.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.47 -31.48 2.03 Favored 'General case' 0 N--CA 1.512 2.653 0 O-C-N 122.279 -0.542 . . . . 0.0 110.737 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -164.65 98.27 0.78 Allowed 'General case' 0 N--CA 1.509 2.478 0 N-CA-C 105.863 -1.903 . . . . 0.0 105.863 -179.428 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.809 ' HG ' ' HG3' ' A' ' 18' ' ' ARG . 1.1 pt? -146.7 -121.5 0.07 Allowed 'General case' 0 N--CA 1.502 2.171 0 O-C-N 121.11 -0.994 . . . . 0.0 112.831 -175.573 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.658 ' N ' ' HG2' ' A' ' 18' ' ' ARG . 0.6 OUTLIER -145.89 -79.62 0.17 Allowed 'General case' 1 N--CA 1.54 4.034 0 N-CA-C 118.666 2.839 . . . . 0.0 118.666 -175.442 . . . . . . . . 4 4 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.621 ' N ' ' HD3' ' A' ' 18' ' ' ARG . 91.4 p -107.7 -89.02 0.46 Allowed 'General case' 1 N--CA 1.569 5.483 0 N-CA-C 121.51 3.892 . . . . 0.0 121.51 -173.441 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.594 ' HA ' HG13 ' A' ' 19' ' ' VAL . 0.3 OUTLIER -78.44 -24.88 45.88 Favored 'General case' 0 N--CA 1.534 3.725 0 O-C-N 119.566 -1.959 . . . . 0.0 113.732 -173.273 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.589 ' HG2' ' CZ ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -88.39 14.37 9.77 Favored 'General case' 1 N--CA 1.552 4.644 0 N-CA-C 106.778 -1.564 . . . . 0.0 106.778 172.461 . . . . . . . . 4 4 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.809 ' HG3' ' HG ' ' A' ' 13' ' ' LEU . 4.5 mpt_? -121.97 -42.06 2.41 Favored 'General case' 0 C--O 1.203 -1.346 0 C-N-CA 124.601 1.16 . . . . 0.0 110.092 -172.087 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.594 HG13 ' HA ' ' A' ' 16' ' ' MET . 2.3 p -54.62 -36.4 35.64 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 N-CA-C 107.532 -1.284 . . . . 0.0 107.532 175.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -86.9 -36.26 18.5 Favored 'General case' 0 N--CA 1.512 2.672 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 175.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.612 ' HB3' ' HA ' ' A' ' 18' ' ' ARG . 16.3 t90 -53.18 -40.25 64.23 Favored 'General case' 0 N--CA 1.508 2.431 0 N-CA-C 108.785 -0.821 . . . . 0.0 108.785 175.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -56.93 -37.1 71.03 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.5 -178.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.99 -48.04 82.11 Favored 'General case' 0 N--CA 1.497 1.904 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 176.595 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.4 ttmt -67.67 -30.82 70.45 Favored 'General case' 0 N--CA 1.506 2.327 0 O-C-N 122.313 -0.242 . . . . 0.0 110.437 178.138 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.65 -39.32 73.48 Favored 'General case' 0 N--CA 1.513 2.684 0 CA-C-N 118.465 0.575 . . . . 0.0 110.219 179.565 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.6 tp -64.4 -39.47 93.92 Favored 'General case' 0 N--CA 1.505 2.282 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 177.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -72.27 -33.78 67.72 Favored 'General case' 0 N--CA 1.507 2.413 0 O-C-N 121.929 -0.482 . . . . 0.0 110.219 178.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 39.7 m-20 -56.04 -39.25 71.7 Favored 'General case' 0 N--CA 1.511 2.612 0 O-C-N 121.758 -0.589 . . . . 0.0 110.595 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.44 ' HB ' ' CD1' ' A' ' 32' ' ' PHE . 30.2 m -105.57 -8.67 10.07 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.639 0 O-C-N 121.824 -0.547 . . . . 0.0 111.856 179.307 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 41.29 -96.57 0.02 OUTLIER 'General case' 0 N--CA 1.523 3.207 0 C-N-CA 123.553 0.741 . . . . 0.0 112.605 176.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -130.15 50.95 2.14 Favored 'General case' 0 N--CA 1.509 2.515 0 O-C-N 121.147 -0.97 . . . . 0.0 108.688 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.44 ' CD1' ' HB ' ' A' ' 29' ' ' VAL . 0.1 OUTLIER -77.53 -153.61 0.06 Allowed 'General case' 0 N--CA 1.509 2.482 0 O-C-N 121.63 -0.669 . . . . 0.0 110.83 -179.397 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 8.1 p -62.58 88.79 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.513 2.709 0 CA-C-O 122.227 1.013 . . . . 0.0 108.742 179.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 171.65 -49.08 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.422 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 -177.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.497 1.915 0 CA-C-O 118.668 -0.682 . . . . 0.0 109.866 179.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.561 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -59.08 -40.37 85.02 Favored 'General case' 0 N--CA 1.517 2.885 0 O-C-N 122.28 -0.262 . . . . 0.0 110.557 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -88.23 -28.42 5.43 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.401 0 O-C-N 121.819 -0.551 . . . . 0.0 110.247 178.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -69.23 -36.29 77.04 Favored 'General case' 0 N--CA 1.507 2.391 0 O-C-N 121.509 -0.745 . . . . 0.0 111.072 -179.781 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.459 ' HA ' ' HB2' ' A' ' 9' ' ' LEU . 3.1 pp -58.32 -33.72 69.82 Favored 'General case' 0 N--CA 1.514 2.737 0 CA-C-N 118.917 0.781 . . . . 0.0 110.661 179.602 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.83 -36.08 11.81 Favored 'General case' 0 N--CA 1.501 2.123 0 O-C-N 121.729 -0.607 . . . . 0.0 110.355 179.135 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 49.5 t60 -70.99 -63.27 1.13 Allowed 'General case' 0 N--CA 1.506 2.368 0 O-C-N 121.615 -0.678 . . . . 0.0 110.014 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.401 ' ND2' ' HB3' ' A' ' 24' ' ' LYS . 9.1 t-20 -154.72 99.46 2.15 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.771 -0.581 . . . . 0.0 110.024 -178.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.459 ' HB2' ' HA ' ' A' ' 5' ' ' LEU . 0.2 OUTLIER -128.44 -61.34 1.08 Allowed 'General case' 0 N--CA 1.502 2.136 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 179.88 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.458 ' HA2' ' CD1' ' A' ' 13' ' ' LEU . . . 173.51 68.74 0.05 OUTLIER Glycine 0 N--CA 1.5 2.935 0 N-CA-C 110.673 -0.971 . . . . 0.0 110.673 179.805 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -81.72 90.78 6.37 Favored 'General case' 0 N--CA 1.513 2.719 0 CA-C-N 117.945 0.872 . . . . 0.0 110.587 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.646 ' C ' ' HG ' ' A' ' 13' ' ' LEU . 14.5 m-70 69.38 -97.69 0.04 OUTLIER 'General case' 0 N--CA 1.521 3.097 0 O-C-N 121.232 -0.917 . . . . 0.0 108.639 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.646 ' HG ' ' C ' ' A' ' 12' ' ' HIS . 0.1 OUTLIER 54.87 58.27 4.95 Favored 'General case' 0 N--CA 1.533 3.68 0 CA-C-O 123.017 1.389 . . . . 0.0 109.518 175.695 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -84.27 -17.84 38.36 Favored 'General case' 0 C--N 1.277 -2.576 0 CA-C-N 114.112 -1.404 . . . . 0.0 108.436 -178.635 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.45 -48.79 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.904 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 177.588 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.583 ' HA ' ' CG1' ' A' ' 19' ' ' VAL . 7.1 ttp -97.48 -9.26 27.52 Favored 'General case' 0 N--CA 1.502 2.166 0 CA-C-O 119.129 -0.462 . . . . 0.0 112.152 -179.435 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.596 ' HB2' HD22 ' A' ' 13' ' ' LEU . 0.3 OUTLIER -95.36 -27.97 15.18 Favored 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 104.773 -2.306 . . . . 0.0 104.773 174.478 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.581 ' HG2' ' N ' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -63.28 -44.69 94.37 Favored 'General case' 0 N--CA 1.497 1.892 0 C-N-CA 125.161 1.384 . . . . 0.0 109.782 177.196 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.583 ' CG1' ' HA ' ' A' ' 16' ' ' MET . 1.5 p -58.82 -45.64 91.38 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.017 0 CA-C-N 114.425 -1.261 . . . . 0.0 109.784 -177.489 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -78.76 -34.01 46.01 Favored 'General case' 0 N--CA 1.512 2.654 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 177.01 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 23.2 t90 -57.95 -42.59 85.26 Favored 'General case' 0 N--CA 1.5 2.043 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 177.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.457 ' HA ' ' HB2' ' A' ' 25' ' ' LYS . 1.9 mm? -61.2 -36.82 80.94 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.934 -177.742 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.1 mtm-85 -57.25 -52.93 63.33 Favored 'General case' 0 N--CA 1.502 2.143 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 177.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.401 ' HB3' ' ND2' ' A' ' 8' ' ' ASN . 0.3 OUTLIER -65.96 -39.38 90.37 Favored 'General case' 0 N--CA 1.502 2.154 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 178.338 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.457 ' HB2' ' HA ' ' A' ' 22' ' ' LEU . 0.1 OUTLIER -55.64 -39.28 70.65 Favored 'General case' 0 N--CA 1.513 2.694 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 177.925 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.4 tp -62.13 -42.63 99.43 Favored 'General case' 0 N--CA 1.5 2.067 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 177.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.506 ' HA ' ' HB2' ' A' ' 31' ' ' ASN . 19.2 mt-30 -65.72 -31.36 72.31 Favored 'General case' 0 N--CA 1.505 2.318 0 O-C-N 121.892 -0.505 . . . . 0.0 110.369 178.381 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -61.72 -19.79 62.79 Favored 'General case' 0 N--CA 1.511 2.578 0 O-C-N 121.687 -0.633 . . . . 0.0 111.501 179.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 48.2 t -131.03 -56.16 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.506 2.347 0 O-C-N 121.211 -0.93 . . . . 0.0 110.063 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 80.7 m80 -62.94 -52.91 61.21 Favored 'General case' 0 N--CA 1.516 2.841 0 O-C-N 121.913 -0.492 . . . . 0.0 110.133 -179.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.506 ' HB2' ' HA ' ' A' ' 27' ' ' GLN . 8.4 m120 -96.13 48.45 1.11 Allowed 'General case' 0 N--CA 1.508 2.467 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 178.63 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -95.64 -150.48 0.32 Allowed 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 119.57 -0.852 . . . . 0.0 110.478 179.498 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 9.6 t 55.62 39.61 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.517 2.914 0 N-CA-C 103.744 -2.688 . . . . 0.0 103.744 -172.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -139.5 -56.78 0.58 Allowed 'General case' 0 N--CA 1.483 1.204 0 CA-C-N 114.652 -1.158 . . . . 0.0 109.718 -173.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.502 2.175 0 CA-C-O 118.752 -0.642 . . . . 0.0 109.601 179.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.569 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.35 -45.02 85.83 Favored 'General case' 0 N--CA 1.511 2.603 0 O-C-N 122.119 -0.363 . . . . 0.0 110.651 . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 37.1 mm 77.69 -60.04 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.519 2.981 0 C-N-CA 123.189 0.596 . . . . 0.0 109.499 -179.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -60.11 -39.63 86.9 Favored 'General case' 0 N--CA 1.511 2.589 0 O-C-N 121.688 -0.632 . . . . 0.0 110.128 179.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.88 -48.24 79.84 Favored 'General case' 0 N--CA 1.508 2.431 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 178.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 1.3 mtt -65.98 -34.42 78.06 Favored 'General case' 0 N--CA 1.508 2.452 0 O-C-N 122.082 -0.386 . . . . 0.0 110.288 179.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 7.9 m80 -64.96 -51.29 62.6 Favored 'General case' 0 N--CA 1.506 2.337 0 O-C-N 121.835 -0.541 . . . . 0.0 110.485 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -70.21 -26.96 64.12 Favored 'General case' 0 N--CA 1.51 2.563 0 O-C-N 121.653 -0.654 . . . . 0.0 110.683 179.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.93 106.0 8.34 Favored 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 106.853 -1.536 . . . . 0.0 106.853 178.434 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.6 39.15 7.81 Favored Glycine 0 N--CA 1.491 2.326 0 N-CA-C 109.569 -1.412 . . . . 0.0 109.569 -177.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.2 ttpp -106.17 23.69 13.67 Favored 'General case' 0 N--CA 1.508 2.429 0 O-C-N 121.693 -0.887 . . . . 0.0 110.75 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 9.4 p-80 -154.38 61.28 0.69 Allowed 'General case' 0 N--CA 1.507 2.38 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.779 ' HA ' ' CG ' ' A' ' 17' ' ' GLU . 0.1 OUTLIER -129.36 -58.02 1.13 Allowed 'General case' 0 N--CA 1.504 2.261 0 CA-C-N 115.369 -0.832 . . . . 0.0 109.429 -177.484 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.431 ' ND2' ' N ' ' A' ' 14' ' ' ASN . 0.0 OUTLIER 69.17 -54.63 0.57 Allowed 'General case' 0 N--CA 1.498 1.929 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.837 175.583 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.527 ' HA ' ' HG2' ' A' ' 18' ' ' ARG . 0.6 OUTLIER -154.18 -38.68 0.09 Allowed 'General case' 0 N--CA 1.505 2.294 0 CA-C-N 119.796 1.18 . . . . 0.0 113.317 -179.743 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.562 ' HA ' HG13 ' A' ' 19' ' ' VAL . 1.2 ptp -104.76 -10.71 17.24 Favored 'General case' 0 N--CA 1.508 2.454 0 CA-C-N 119.52 1.055 . . . . 0.0 111.585 -179.476 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.779 ' CG ' ' HA ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -98.1 -23.65 15.65 Favored 'General case' 0 N--CA 1.506 2.327 0 N-CA-C 105.594 -2.002 . . . . 0.0 105.594 174.197 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.556 ' N ' ' HB3' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -70.67 -36.24 73.23 Favored 'General case' 0 N--CA 1.501 2.077 0 C-N-CA 123.986 0.914 . . . . 0.0 110.492 177.867 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.562 HG13 ' HA ' ' A' ' 16' ' ' MET . 0.9 OUTLIER -61.09 -45.12 99.2 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.865 0 CA-C-N 115.372 -0.831 . . . . 0.0 108.812 -178.467 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -77.17 -35.17 56.18 Favored 'General case' 0 N--CA 1.508 2.441 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 176.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 20.7 t90 -58.59 -41.81 86.64 Favored 'General case' 0 N--CA 1.493 1.709 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 177.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.409 ' HG ' ' N ' ' A' ' 23' ' ' ARG . 0.1 OUTLIER -64.64 -41.56 96.05 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 -177.787 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.409 ' N ' ' HG ' ' A' ' 22' ' ' LEU . 6.7 ttp180 -64.37 -43.64 93.88 Favored 'General case' 0 N--CA 1.497 1.887 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 177.532 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.54 -44.9 85.44 Favored 'General case' 0 N--CA 1.5 2.067 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 178.237 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.18 -37.69 72.51 Favored 'General case' 0 N--CA 1.51 2.563 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 178.786 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.0 tt -61.76 -34.49 75.95 Favored 'General case' 0 N--CA 1.508 2.456 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 178.093 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -85.59 -35.34 21.08 Favored 'General case' 0 N--CA 1.503 2.223 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 178.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -59.06 -53.95 52.56 Favored 'General case' 0 N--CA 1.514 2.752 0 N-CA-C 106.652 -1.61 . . . . 0.0 106.652 177.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.425 ' O ' ' HB2' ' A' ' 30' ' ' HIS . 57.2 t -75.32 159.15 5.53 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.935 0 N-CA-C 105.224 -2.139 . . . . 0.0 105.224 174.477 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.425 ' HB2' ' O ' ' A' ' 29' ' ' VAL . 49.9 m80 76.12 -64.54 0.35 Allowed 'General case' 0 N--CA 1.522 3.17 0 CA-C-N 119.383 0.992 . . . . 0.0 108.836 -178.48 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -104.41 73.0 1.08 Allowed 'General case' 0 N--CA 1.501 2.121 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 179.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -107.12 -114.8 0.27 Allowed 'General case' 0 N--CA 1.512 2.653 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.7 m -91.31 35.86 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.512 2.668 0 CA-C-N 120.344 1.429 . . . . 0.0 110.018 178.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -140.71 35.36 1.8 Allowed 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.32 -0.862 . . . . 0.0 109.557 179.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.2 tp . . . . . 0 N--CA 1.502 2.129 0 CA-C-O 117.583 -1.198 . . . . 0.0 109.994 -179.958 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.748 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.427 ' HG3' ' HB3' ' A' ' 8' ' ' ASN . 1.4 mp0 -81.37 -5.61 58.04 Favored 'General case' 0 N--CA 1.511 2.614 0 N-CA-C 112.554 0.576 . . . . 0.0 112.554 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 28.7 mm -104.66 -38.31 4.75 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.598 0 O-C-N 120.924 -1.11 . . . . 0.0 111.318 -178.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.452 ' O ' ' HG ' ' A' ' 5' ' ' LEU . 2.3 pm0 -56.84 96.93 0.02 OUTLIER 'General case' 0 N--CA 1.524 3.272 0 CA-C-N 119.291 0.95 . . . . 0.0 109.249 179.772 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 4' ' ' GLN . 0.4 OUTLIER 48.4 31.2 2.65 Favored 'General case' 0 N--CA 1.524 3.255 0 C-N-CA 123.27 0.628 . . . . 0.0 110.35 -176.361 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 53.7 45.71 27.42 Favored 'General case' 0 N--CA 1.51 2.554 0 CA-C-O 123.202 1.477 . . . . 0.0 108.67 -176.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.443 ' HB3' ' HG2' ' A' ' 4' ' ' GLN . 39.8 t60 -54.5 -50.05 68.73 Favored 'General case' 0 N--CA 1.496 1.87 0 CA-C-N 114.362 -1.29 . . . . 0.0 110.859 -178.806 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.482 ' HA ' ' HB3' ' A' ' 12' ' ' HIS . 0.7 OUTLIER -94.06 45.13 1.13 Allowed 'General case' 0 N--CA 1.503 2.212 0 CA-C-N 118.857 0.753 . . . . 0.0 110.76 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.5 mp -128.81 -53.72 1.23 Allowed 'General case' 0 N--CA 1.502 2.166 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 178.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -118.9 -45.96 0.44 Allowed Glycine 0 N--CA 1.504 3.172 0 N-CA-C 109.778 -1.329 . . . . 0.0 109.778 179.048 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.4 tptt -68.73 -28.59 66.96 Favored 'General case' 0 N--CA 1.511 2.617 0 CA-C-N 117.987 0.893 . . . . 0.0 110.948 179.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.482 ' HB3' ' HA ' ' A' ' 8' ' ' ASN . 18.8 t-160 -139.55 126.67 21.14 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 107.57 -1.27 . . . . 0.0 107.57 178.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.629 HD23 ' HB3' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -168.99 -126.11 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.425 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.096 -176.15 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -139.66 -57.07 0.57 Allowed 'General case' 0 N--CA 1.511 2.586 0 CA-C-N 119.963 1.256 . . . . 0.0 110.918 -177.059 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.492 ' CA ' ' HG3' ' A' ' 18' ' ' ARG . 59.3 p -174.02 -60.94 0.02 OUTLIER 'General case' 0 N--CA 1.517 2.894 0 CA-C-N 119.575 1.079 . . . . 0.0 112.494 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -77.77 -19.06 55.76 Favored 'General case' 0 N--CA 1.506 2.364 0 CA-C-N 119.502 1.046 . . . . 0.0 108.425 178.355 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.405 ' HB2' ' HB2' ' A' ' 13' ' ' LEU . 12.7 mm-40 -72.73 -31.2 64.78 Favored 'General case' 0 N--CA 1.507 2.379 0 N-CA-C 106.071 -1.826 . . . . 0.0 106.071 173.502 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.706 ' HB2' ' CD1' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -90.82 -91.27 0.15 Allowed 'General case' 0 C--O 1.204 -1.313 0 CA-C-O 117.545 -1.217 . . . . 0.0 109.85 179.59 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER 47.68 -68.14 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.51 2.542 0 C-N-CA 125.59 1.556 . . . . 0.0 111.352 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.503 ' N ' ' O ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -61.34 -33.59 73.88 Favored 'General case' 0 N--CA 1.501 2.088 0 N-CA-C 106.757 -1.572 . . . . 0.0 106.757 174.342 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.706 ' CD1' ' HB2' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -50.89 -45.52 60.22 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.937 0.895 . . . . 0.0 109.262 175.837 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.488 ' N ' ' CD1' ' A' ' 21' ' ' TRP . 0.2 OUTLIER -67.12 -38.93 86.44 Favored 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 114.992 -1.004 . . . . 0.0 110.031 -176.453 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -67.56 -42.57 82.41 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 178.412 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.57 -32.66 66.2 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.695 -0.628 . . . . 0.0 109.383 178.103 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.407 ' HE2' ' CH2' ' A' ' 21' ' ' TRP . 0.1 OUTLIER -50.48 -40.02 49.84 Favored 'General case' 0 N--CA 1.514 2.731 0 C-N-CA 122.702 0.401 . . . . 0.0 110.852 179.401 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.6 mt -55.87 -36.11 67.24 Favored 'General case' 0 N--CA 1.514 2.767 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 178.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -83.8 -36.51 23.48 Favored 'General case' 0 N--CA 1.503 2.192 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 178.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -59.54 -42.6 92.7 Favored 'General case' 0 N--CA 1.509 2.522 0 O-C-N 121.957 -0.464 . . . . 0.0 111.596 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.687 ' HB ' ' HB3' ' A' ' 32' ' ' PHE . 0.1 OUTLIER -130.48 25.96 1.7 Allowed 'Isoleucine or valine' 0 N--CA 1.511 2.582 0 O-C-N 121.571 -0.706 . . . . 0.0 112.464 -178.125 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 46.43 -91.13 0.02 OUTLIER 'General case' 0 N--CA 1.523 3.22 0 C-N-CA 123.907 0.883 . . . . 0.0 112.582 176.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -94.13 -54.9 3.39 Favored 'General case' 0 N--CA 1.501 2.081 0 CA-C-N 119.362 0.983 . . . . 0.0 110.434 -179.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.687 ' HB3' ' HB ' ' A' ' 29' ' ' VAL . 8.5 p90 26.77 37.94 0.0 OUTLIER 'General case' 0 N--CA 1.538 3.955 0 N-CA-C 114.887 1.44 . . . . 0.0 114.887 179.117 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.495 HG21 ' HB2' ' A' ' 35' ' ' LEU . 20.6 m 46.96 27.16 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.52 3.067 0 O-C-N 121.825 -0.547 . . . . 0.0 109.554 -176.389 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 43.49 44.5 5.06 Favored 'General case' 0 N--CA 1.489 1.5 0 C-N-CA 124.423 1.089 . . . . 0.0 111.452 -179.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.495 ' HB2' HG21 ' A' ' 33' ' ' VAL . 3.6 tt . . . . . 0 N--CA 1.495 1.813 0 CA-C-O 117.676 -1.154 . . . . 0.0 109.502 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.643 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 67.25 -81.68 0.03 OUTLIER 'General case' 0 N--CA 1.514 2.764 0 C-N-CA 122.793 0.437 . . . . 0.0 110.45 . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 8.7 mt 54.56 47.3 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.514 2.74 0 CA-C-O 121.9 0.857 . . . . 0.0 110.195 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -133.19 -69.48 0.55 Allowed 'General case' 0 N--CA 1.503 2.193 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 179.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.31 -45.86 65.41 Favored 'General case' 0 N--CA 1.505 2.297 0 N-CA-C 106.883 -1.525 . . . . 0.0 106.883 176.315 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.97 44.14 1.03 Allowed 'General case' 0 N--CA 1.495 1.786 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 177.273 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 37.5 t60 -62.99 -58.97 5.53 Favored 'General case' 0 N--CA 1.509 2.482 0 O-C-N 121.375 -0.828 . . . . 0.0 109.085 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 17.4 t30 -161.08 96.48 1.1 Allowed 'General case' 0 N--CA 1.497 1.888 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 178.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 20.2 mt -111.45 70.17 0.71 Allowed 'General case' 0 N--CA 1.498 1.945 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 -178.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 58.85 50.02 71.87 Favored Glycine 0 N--CA 1.499 2.849 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.7 mttt -74.8 73.58 2.09 Favored 'General case' 0 N--CA 1.512 2.673 0 CA-C-N 118.827 1.313 . . . . 0.0 108.31 179.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 5.5 t-160 78.05 -23.71 0.24 Allowed 'General case' 0 N--CA 1.512 2.644 0 C-N-CA 124.029 0.931 . . . . 0.0 111.844 -177.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.671 ' HG ' ' HB3' ' A' ' 18' ' ' ARG . 0.2 OUTLIER 43.3 -97.67 0.02 OUTLIER 'General case' 0 N--CA 1.509 2.501 0 CA-C-N 119.07 0.85 . . . . 0.0 111.238 178.776 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -142.03 30.64 1.61 Allowed 'General case' 0 N--CA 1.515 2.778 0 CA-C-N 120.664 1.575 . . . . 0.0 111.707 178.243 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.483 ' O ' ' HG3' ' A' ' 18' ' ' ARG . 1.6 m 66.63 -56.87 0.4 Allowed 'General case' 0 N--CA 1.521 3.077 0 N-CA-C 113.512 0.93 . . . . 0.0 113.512 177.749 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.494 ' HA ' HG13 ' A' ' 19' ' ' VAL . 7.6 mtp -79.58 -15.3 57.92 Favored 'General case' 0 N--CA 1.517 2.911 0 CA-C-N 120.372 1.442 . . . . 0.0 110.05 179.114 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.418 ' HB3' HD13 ' A' ' 13' ' ' LEU . 9.4 tp10 -92.12 -28.52 17.05 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 106.671 -1.603 . . . . 0.0 106.671 174.493 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.732 ' HA ' ' HB3' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -83.59 -28.67 28.37 Favored 'General case' 0 C--O 1.191 -1.996 0 CA-C-O 122.963 1.363 . . . . 0.0 113.277 -179.86 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.494 HG13 ' HA ' ' A' ' 16' ' ' MET . 0.2 OUTLIER -44.53 -43.05 2.27 Favored 'Isoleucine or valine' 0 C--N 1.254 -3.56 0 O-C-N 120.112 -1.617 . . . . 0.0 110.373 -178.018 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -76.98 -35.22 57.35 Favored 'General case' 0 N--CA 1.526 3.327 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 175.334 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.732 ' HB3' ' HA ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -50.07 -45.86 52.81 Favored 'General case' 0 N--CA 1.509 2.483 0 C-N-CA 125.072 1.349 . . . . 0.0 109.043 175.56 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.449 ' N ' ' CD1' ' A' ' 21' ' ' TRP . 6.0 mt -56.97 -41.33 78.15 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.402 -176.037 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.9 -39.15 64.08 Favored 'General case' 0 N--CA 1.493 1.711 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.061 178.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.502 ' O ' ' HG3' ' A' ' 27' ' ' GLN . 11.7 tptp -76.53 -51.67 11.24 Favored 'General case' 0 N--CA 1.51 2.555 0 O-C-N 121.686 -0.634 . . . . 0.0 111.112 -179.038 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.435 ' HE3' HD22 ' A' ' 22' ' ' LEU . 1.6 pptp? -65.69 -27.7 68.53 Favored 'General case' 0 N--CA 1.506 2.341 0 O-C-N 121.05 -1.031 . . . . 0.0 110.623 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 47.5 tp -66.6 -53.46 34.16 Favored 'General case' 0 N--CA 1.507 2.413 0 O-C-N 121.415 -0.803 . . . . 0.0 109.077 178.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.502 ' HG3' ' O ' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -62.89 -31.69 72.8 Favored 'General case' 0 N--CA 1.509 2.522 0 O-C-N 121.865 -0.522 . . . . 0.0 109.754 178.735 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -68.71 -39.05 80.63 Favored 'General case' 0 N--CA 1.506 2.338 0 O-C-N 121.628 -0.67 . . . . 0.0 109.238 177.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.4 ' HA ' ' HB2' ' A' ' 32' ' ' PHE . 42.4 t -60.01 -38.35 76.34 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.653 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 178.168 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -63.13 -39.94 96.15 Favored 'General case' 0 N--CA 1.513 2.687 0 N-CA-C 108.76 -0.829 . . . . 0.0 108.76 178.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 40.4 m-80 -98.09 36.32 1.59 Allowed 'General case' 0 N--CA 1.507 2.377 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 177.362 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.4 ' HB2' ' HA ' ' A' ' 29' ' ' VAL . 0.3 OUTLIER -100.84 -147.99 0.36 Allowed 'General case' 0 N--CA 1.482 1.158 0 O-C-N 121.432 -0.793 . . . . 0.0 110.029 178.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.5 t 55.01 38.19 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.519 3.0 0 N-CA-C 104.395 -2.446 . . . . 0.0 104.395 -173.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -134.93 -55.29 0.82 Allowed 'General case' 0 N--CA 1.483 1.188 0 CA-C-N 114.85 -1.068 . . . . 0.0 109.525 -174.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.3 tt . . . . . 0 N--CA 1.501 2.12 0 CA-C-O 118.726 -0.654 . . . . 0.0 109.581 179.205 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.486 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.56 ' HG3' ' HA ' ' A' ' 14' ' ' ASN . 28.7 mm-40 -91.97 65.32 4.83 Favored 'General case' 0 N--CA 1.506 2.346 0 CA-C-O 121.552 0.691 . . . . 0.0 109.313 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 11.3 mt -130.65 -74.25 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.503 2.207 0 O-C-N 121.516 -0.74 . . . . 0.0 109.176 -179.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 52.6 48.4 22.62 Favored 'General case' 0 N--CA 1.521 3.095 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 -178.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 56.42 55.27 6.71 Favored 'General case' 0 N--CA 1.504 2.261 0 N-CA-C 107.266 -1.383 . . . . 0.0 107.266 -175.464 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 15.5 ptt? 37.84 48.49 1.01 Allowed 'General case' 0 N--CA 1.512 2.669 0 CA-C-N 113.766 -1.561 . . . . 0.0 111.639 -177.292 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 13.1 t60 -97.14 98.93 10.45 Favored 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 56.77 -143.53 0.7 Allowed 'General case' 0 N--CA 1.512 2.635 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 -179.078 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 19.2 mt 67.08 176.68 0.24 Allowed 'General case' 0 N--CA 1.509 2.484 0 CA-C-N 119.903 1.229 . . . . 0.0 108.41 -178.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.426 ' HA3' ' HG ' ' A' ' 13' ' ' LEU . . . -76.14 89.17 0.89 Allowed Glycine 0 N--CA 1.48 1.595 0 N-CA-C 107.352 -2.299 . . . . 0.0 107.352 178.754 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.12 -42.83 1.51 Allowed 'General case' 0 N--CA 1.52 3.026 0 C-N-CA 122.72 0.408 . . . . 0.0 111.7 -178.247 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -123.31 37.91 4.31 Favored 'General case' 0 N--CA 1.506 2.336 0 O-C-N 121.855 -0.528 . . . . 0.0 110.064 179.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.616 ' CD1' ' HB2' ' A' ' 17' ' ' GLU . 0.4 OUTLIER -172.0 -119.12 0.01 OUTLIER 'General case' 0 N--CA 1.504 2.265 0 O-C-N 121.421 -0.799 . . . . 0.0 110.909 -178.724 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.572 ' HB2' ' HG2' ' A' ' 17' ' ' GLU . 0.1 OUTLIER -139.01 -172.98 3.45 Favored 'General case' 0 N--CA 1.505 2.301 0 O-C-N 120.941 -1.099 . . . . 0.0 109.524 -177.051 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.3 -58.29 3.37 Favored 'General case' 0 N--CA 1.517 2.893 0 O-C-N 121.004 -1.06 . . . . 0.0 111.992 -178.173 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.636 ' HA ' HG13 ' A' ' 19' ' ' VAL . 1.2 ttt -71.62 -4.11 25.32 Favored 'General case' 0 N--CA 1.511 2.594 0 CA-C-N 119.094 0.861 . . . . 0.0 111.343 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.616 ' HB2' ' CD1' ' A' ' 13' ' ' LEU . 9.0 mm-40 -95.84 -28.8 14.55 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 106.024 -1.843 . . . . 0.0 106.024 174.648 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.494 ' HG2' ' N ' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -64.07 -38.16 90.05 Favored 'General case' 0 N--CA 1.504 2.27 0 CA-C-O 121.985 0.898 . . . . 0.0 109.767 177.64 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.636 HG13 ' HA ' ' A' ' 16' ' ' MET . 0.5 OUTLIER -63.64 -47.26 92.06 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.719 0 CA-C-N 114.568 -1.196 . . . . 0.0 108.993 -177.549 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -74.73 -31.45 61.83 Favored 'General case' 0 N--CA 1.513 2.692 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 175.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 23.3 t90 -63.07 -38.47 91.33 Favored 'General case' 0 N--CA 1.497 1.88 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 177.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.71 -35.82 80.96 Favored 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 -178.184 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.9 -37.53 81.84 Favored 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 177.296 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.29 -11.89 53.68 Favored 'General case' 0 N--CA 1.503 2.224 0 O-C-N 121.785 -0.572 . . . . 0.0 111.096 178.147 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.38 -35.24 67.49 Favored 'General case' 0 N--CA 1.513 2.684 0 CA-C-N 119.315 0.961 . . . . 0.0 110.658 -179.664 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.5 tp -60.35 -38.1 82.76 Favored 'General case' 0 N--CA 1.507 2.418 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 177.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 49.2 mm-40 -80.75 -29.83 36.22 Favored 'General case' 0 N--CA 1.504 2.225 0 O-C-N 121.819 -0.551 . . . . 0.0 109.983 178.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -58.34 -51.18 70.86 Favored 'General case' 0 N--CA 1.512 2.653 0 N-CA-C 106.941 -1.503 . . . . 0.0 106.941 177.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.418 ' O ' ' HB2' ' A' ' 30' ' ' HIS . 9.4 t -83.72 170.95 1.28 Allowed 'Isoleucine or valine' 0 N--CA 1.505 2.321 0 N-CA-C 106.301 -1.74 . . . . 0.0 106.301 175.55 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.418 ' HB2' ' O ' ' A' ' 29' ' ' VAL . 65.3 m80 76.22 -56.94 0.57 Allowed 'General case' 0 N--CA 1.526 3.341 0 O-C-N 121.053 -1.029 . . . . 0.0 110.285 -179.666 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 33.6 m-80 -87.85 -72.86 0.51 Allowed 'General case' 0 N--CA 1.499 1.986 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 179.38 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.419 ' CE2' ' HA ' ' A' ' 34' ' ' ALA . 45.9 p90 38.77 33.89 0.08 Allowed 'General case' 0 N--CA 1.533 3.676 0 CA-C-N 118.75 0.704 . . . . 0.0 112.871 179.381 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 10.6 m 49.71 25.11 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.521 3.083 0 C-N-CA 123.239 0.615 . . . . 0.0 109.821 -176.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.419 ' HA ' ' CE2' ' A' ' 32' ' ' PHE . . . 44.98 41.12 5.04 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 123.939 0.896 . . . . 0.0 111.232 -179.546 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.1 tp . . . . . 0 N--CA 1.495 1.804 0 CA-C-O 117.61 -1.186 . . . . 0.0 109.966 179.886 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.558 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -139.62 -48.78 0.47 Allowed 'General case' 0 N--CA 1.509 2.519 0 O-C-N 122.143 -0.348 . . . . 0.0 111.06 . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.0 mt 57.98 27.66 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.517 2.905 0 O-C-N 121.723 -0.611 . . . . 0.0 110.381 -179.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -83.42 -57.43 3.25 Favored 'General case' 0 N--CA 1.498 1.964 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 178.655 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.6 pp -68.92 -29.8 68.13 Favored 'General case' 0 N--CA 1.508 2.46 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 177.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -73.4 -47.38 42.43 Favored 'General case' 0 N--CA 1.503 2.219 0 O-C-N 121.741 -0.599 . . . . 0.0 110.125 179.601 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 56.9 t-80 -78.31 -59.33 2.82 Favored 'General case' 0 N--CA 1.504 2.266 0 O-C-N 121.679 -0.638 . . . . 0.0 109.642 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -74.19 83.72 1.85 Allowed 'General case' 0 N--CA 1.503 2.19 0 CA-C-O 121.621 0.724 . . . . 0.0 110.64 -179.411 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -119.38 96.3 5.15 Favored 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 107.603 -1.258 . . . . 0.0 107.603 178.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.589 ' HA3' ' HB2' ' A' ' 21' ' ' TRP . . . 98.25 -78.52 0.59 Allowed Glycine 0 N--CA 1.492 2.417 0 N-CA-C 108.497 -1.841 . . . . 0.0 108.497 -178.089 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.4 mmpt? 70.42 -50.54 0.66 Allowed 'General case' 0 N--CA 1.524 3.264 0 C-N-CA 123.537 0.735 . . . . 0.0 112.27 179.325 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -175.4 112.81 0.13 Allowed 'General case' 0 N--CA 1.512 2.663 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 -179.607 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.5 ' CG ' ' HB3' ' A' ' 18' ' ' ARG . 2.3 pt? -160.22 -140.41 0.07 Allowed 'General case' 0 N--CA 1.502 2.132 0 O-C-N 121.254 -0.903 . . . . 0.0 111.659 -178.417 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -118.47 -96.27 0.47 Allowed 'General case' 0 N--CA 1.51 2.551 0 O-C-N 121.013 -1.054 . . . . 0.0 110.596 -177.58 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.62 ' HA ' ' CG ' ' A' ' 18' ' ' ARG . 6.1 m -154.34 144.03 21.62 Favored 'General case' 0 N--CA 1.511 2.607 0 CA-C-N 119.891 1.223 . . . . 0.0 109.905 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 13.4 ttp 79.66 -42.75 0.27 Allowed 'General case' 0 N--CA 1.521 3.118 0 C-N-CA 123.57 0.748 . . . . 0.0 109.299 -178.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.79 -20.34 62.61 Favored 'General case' 0 N--CA 1.499 2.002 0 N-CA-C 104.632 -2.359 . . . . 0.0 104.632 171.343 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.826 ' HB2' ' CD1' ' A' ' 21' ' ' TRP . 0.8 OUTLIER -97.6 -92.58 0.24 Allowed 'General case' 0 C--O 1.202 -1.426 0 CA-C-O 117.591 -1.195 . . . . 0.0 110.015 179.119 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER 43.81 -66.67 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.511 2.598 0 C-N-CA 126.576 1.95 . . . . 0.0 112.777 179.287 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 18' ' ' ARG . 3.8 mm-40 -60.97 -29.31 69.58 Favored 'General case' 0 N--CA 1.512 2.655 0 N-CA-C 106.614 -1.624 . . . . 0.0 106.614 173.823 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.826 ' CD1' ' HB2' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -54.29 -44.19 71.71 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 124.633 1.173 . . . . 0.0 109.496 176.107 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.491 ' HG ' ' CD1' ' A' ' 21' ' ' TRP . 6.2 mt -62.88 -42.05 99.62 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.435 -177.693 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.9 ttp180 -66.24 -41.42 90.03 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 177.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.35 -21.6 55.91 Favored 'General case' 0 N--CA 1.506 2.338 0 O-C-N 121.819 -0.551 . . . . 0.0 111.39 179.014 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -56.88 -37.85 71.94 Favored 'General case' 0 N--CA 1.514 2.749 0 CA-C-N 118.9 0.773 . . . . 0.0 110.206 179.622 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 25.8 mt -62.62 -38.8 91.63 Favored 'General case' 0 N--CA 1.513 2.678 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 177.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -81.67 -4.72 56.93 Favored 'General case' 0 N--CA 1.505 2.303 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.291 179.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -110.26 -7.14 14.88 Favored 'General case' 0 N--CA 1.508 2.43 0 O-C-N 121.356 -0.84 . . . . 0.0 111.189 179.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 71.3 t -123.45 -66.62 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.256 0 O-C-N 121.118 -0.989 . . . . 0.0 110.431 -178.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER 44.06 -92.19 0.02 OUTLIER 'General case' 0 N--CA 1.534 3.727 0 C-N-CA 123.682 0.793 . . . . 0.0 111.631 179.019 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -96.75 50.94 1.13 Allowed 'General case' 0 N--CA 1.506 2.346 0 O-C-N 121.294 -0.879 . . . . 0.0 109.321 178.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -95.71 -153.04 0.39 Allowed 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 119.216 -0.993 . . . . 0.0 110.031 178.451 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 10.9 t 56.57 39.25 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.516 2.872 0 N-CA-C 104.102 -2.555 . . . . 0.0 104.102 -172.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -135.66 -55.97 0.78 Allowed 'General case' 0 N--CA 1.484 1.248 0 CA-C-N 114.788 -1.097 . . . . 0.0 109.526 -174.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.7 tt . . . . . 0 N--CA 1.502 2.129 0 CA-C-O 117.681 -1.152 . . . . 0.0 109.511 179.273 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.554 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -97.68 -57.94 2.12 Favored 'General case' 0 N--CA 1.505 2.28 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.1 pt -65.36 149.45 11.4 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.587 0 O-C-N 121.518 -0.739 . . . . 0.0 109.545 179.228 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 72.8 -60.06 0.55 Allowed 'General case' 0 N--CA 1.521 3.12 0 C-N-CA 123.007 0.523 . . . . 0.0 110.378 -179.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.3 tp -58.76 -50.37 74.17 Favored 'General case' 0 N--CA 1.51 2.534 0 O-C-N 121.67 -0.644 . . . . 0.0 110.357 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 13.5 mmt -60.1 -36.89 78.44 Favored 'General case' 0 N--CA 1.513 2.675 0 O-C-N 122.047 -0.408 . . . . 0.0 110.202 179.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 63.2 m80 -64.21 -53.11 54.32 Favored 'General case' 0 N--CA 1.51 2.525 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 178.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.415 ' HA ' ' HZ3' ' A' ' 21' ' ' TRP . 33.8 m-80 -61.24 -30.87 70.72 Favored 'General case' 0 N--CA 1.511 2.582 0 O-C-N 122.244 -0.285 . . . . 0.0 110.488 178.453 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.16 -39.75 87.5 Favored 'General case' 0 N--CA 1.509 2.521 0 O-C-N 121.833 -0.542 . . . . 0.0 109.791 178.289 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -62.86 -28.5 71.95 Favored Glycine 0 N--CA 1.506 3.329 0 N-CA-C 111.323 -0.711 . . . . 0.0 111.323 179.159 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.9 mttt 59.55 55.63 4.01 Favored 'General case' 0 N--CA 1.514 2.739 0 CA-C-N 118.544 1.172 . . . . 0.0 109.691 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.421 ' HA ' ' CZ2' ' A' ' 21' ' ' TRP . 0.1 OUTLIER 85.24 -17.39 0.43 Allowed 'General case' 0 N--CA 1.516 2.849 0 C-N-CA 124.143 0.977 . . . . 0.0 111.331 -178.376 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.627 ' CG ' ' HB3' ' A' ' 18' ' ' ARG . 0.7 OUTLIER 39.31 -108.57 0.08 Allowed 'General case' 0 N--CA 1.501 2.099 0 C-N-CA 123.637 0.775 . . . . 0.0 112.456 177.557 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -128.12 -83.03 0.59 Allowed 'General case' 0 N--CA 1.503 2.194 0 CA-C-N 120.697 1.589 . . . . 0.0 109.681 -178.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.536 ' HA ' ' CG ' ' A' ' 18' ' ' ARG . 0.5 OUTLIER -167.7 -51.06 0.02 OUTLIER 'General case' 0 N--CA 1.516 2.867 0 CA-C-N 120.426 1.466 . . . . 0.0 112.709 179.058 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.82 -19.85 26.9 Favored 'General case' 0 N--CA 1.516 2.864 0 CA-C-N 119.727 1.149 . . . . 0.0 109.244 178.394 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.447 ' HG2' HD13 ' A' ' 13' ' ' LEU . 1.5 pm0 -82.56 -20.37 36.7 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 106.096 -1.816 . . . . 0.0 106.096 173.331 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.699 ' HB2' ' CD1' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -92.41 -84.48 0.28 Allowed 'General case' 0 C--O 1.197 -1.662 0 CA-C-O 117.124 -1.417 . . . . 0.0 108.923 177.444 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.407 ' H ' ' CG ' ' A' ' 18' ' ' ARG . 0.2 OUTLIER 35.13 -71.55 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.504 2.27 0 C-N-CA 126.438 1.895 . . . . 0.0 113.2 178.717 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 18' ' ' ARG . 0.9 OUTLIER -56.95 -33.41 66.99 Favored 'General case' 0 N--CA 1.515 2.813 0 N-CA-C 107.182 -1.414 . . . . 0.0 107.182 174.597 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.699 ' CD1' ' HB2' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -50.5 -49.03 56.63 Favored 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 124.976 1.31 . . . . 0.0 109.383 175.519 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.41 ' N ' ' CD1' ' A' ' 21' ' ' TRP . 0.2 OUTLIER -61.24 -38.51 86.91 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 114.742 -1.117 . . . . 0.0 110.95 -175.58 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.41 -44.27 58.74 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 178.191 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.434 ' HE2' ' HB2' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -65.54 -30.89 71.69 Favored 'General case' 0 N--CA 1.503 2.208 0 O-C-N 122.04 -0.412 . . . . 0.0 110.905 179.623 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.405 ' HD3' ' CH2' ' A' ' 21' ' ' TRP . 2.6 mmmt -53.4 -41.87 66.38 Favored 'General case' 0 N--CA 1.512 2.658 0 CA-C-N 118.463 0.574 . . . . 0.0 110.498 179.398 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.4 tp -64.39 -41.71 96.53 Favored 'General case' 0 N--CA 1.507 2.415 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 178.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.434 ' HB2' ' HE2' ' A' ' 24' ' ' LYS . 33.7 mt-30 -80.4 -7.82 59.27 Favored 'General case' 0 N--CA 1.51 2.564 0 O-C-N 121.946 -0.471 . . . . 0.0 111.581 179.172 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -106.37 -12.74 15.57 Favored 'General case' 0 N--CA 1.505 2.304 0 O-C-N 121.28 -0.887 . . . . 0.0 111.289 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.452 ' HA ' ' HB2' ' A' ' 32' ' ' PHE . 92.6 t -120.78 -67.63 1.07 Allowed 'Isoleucine or valine' 0 N--CA 1.505 2.29 0 O-C-N 121.275 -0.891 . . . . 0.0 109.929 -179.565 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 9.0 p-80 35.7 69.57 0.18 Allowed 'General case' 0 N--CA 1.534 3.738 0 CA-C-N 118.65 0.659 . . . . 0.0 111.453 178.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 76.86 27.95 0.7 Allowed 'General case' 0 N--CA 1.522 3.143 0 CA-C-O 121.395 0.617 . . . . 0.0 110.2 -178.662 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.452 ' HB2' ' HA ' ' A' ' 29' ' ' VAL . 0.3 OUTLIER -76.56 -0.09 21.96 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.347 -1.471 . . . . 0.0 113.057 178.227 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.8 m -57.16 -27.98 28.75 Favored 'Isoleucine or valine' 0 N--CA 1.516 2.86 0 N-CA-C 106.694 -1.595 . . . . 0.0 106.694 172.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -37.34 -52.54 1.1 Allowed 'General case' 0 N--CA 1.494 1.759 0 C-N-CA 125.392 1.477 . . . . 0.0 111.959 175.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.2 tt . . . . . 0 N--CA 1.501 2.079 0 CA-C-O 117.614 -1.184 . . . . 0.0 109.843 -179.779 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.375 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -160.67 136.52 8.26 Favored 'General case' 0 N--CA 1.504 2.261 0 O-C-N 122.112 -0.368 . . . . 0.0 110.033 . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 6.7 pt -145.16 44.36 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.514 2.742 0 O-C-N 121.52 -0.738 . . . . 0.0 110.368 -179.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -75.24 84.5 2.41 Favored 'General case' 0 N--CA 1.516 2.864 0 N-CA-C 105.681 -1.97 . . . . 0.0 105.681 177.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 61.12 64.17 1.15 Allowed 'General case' 0 N--CA 1.5 2.036 0 N-CA-C 105.46 -2.052 . . . . 0.0 105.46 -173.561 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 39.05 51.73 1.95 Allowed 'General case' 0 N--CA 1.515 2.792 0 CA-C-N 112.518 -2.128 . . . . 0.0 111.558 -175.578 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 51.7 t-80 -98.82 116.77 31.81 Favored 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 179.006 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 58.72 45.76 15.31 Favored 'General case' 0 N--CA 1.516 2.854 0 CA-C-O 121.586 0.708 . . . . 0.0 110.043 -179.282 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -91.33 -12.24 35.59 Favored 'General case' 0 N--CA 1.509 2.496 0 O-C-N 121.617 -0.677 . . . . 0.0 112.347 -179.425 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -113.39 47.99 0.99 Allowed Glycine 0 N--CA 1.505 3.233 0 N-CA-C 110.125 -1.19 . . . . 0.0 110.125 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -131.7 57.02 1.79 Allowed 'General case' 0 N--CA 1.507 2.384 0 N-CA-C 107.275 -1.379 . . . . 0.0 107.275 178.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.434 ' HA ' ' CZ3' ' A' ' 21' ' ' TRP . 2.5 t-160 87.21 -33.6 0.03 OUTLIER 'General case' 0 N--CA 1.514 2.745 0 C-N-CA 124.365 1.066 . . . . 0.0 110.068 -177.129 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.604 HD13 ' HG3' ' A' ' 17' ' ' GLU . 0.2 OUTLIER 43.52 -102.37 0.05 OUTLIER 'General case' 0 N--CA 1.5 2.031 0 C-N-CA 123.428 0.691 . . . . 0.0 112.549 177.144 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -154.85 -96.49 0.04 OUTLIER 'General case' 0 N--CA 1.507 2.422 0 CA-C-N 120.228 1.376 . . . . 0.0 110.698 -178.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.688 ' HA ' ' HG2' ' A' ' 18' ' ' ARG . 5.1 m -145.23 143.87 30.51 Favored 'General case' 0 N--CA 1.504 2.262 0 CA-C-N 119.627 1.103 . . . . 0.0 110.335 -179.386 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.608 ' HA ' ' CG1' ' A' ' 19' ' ' VAL . 1.2 mtp 76.98 -34.62 0.22 Allowed 'General case' 0 N--CA 1.524 3.239 0 C-N-CA 123.878 0.871 . . . . 0.0 111.078 -179.174 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.604 ' HG3' HD13 ' A' ' 13' ' ' LEU . 1.8 pt-20 -88.05 -27.24 22.12 Favored 'General case' 0 N--CA 1.498 1.944 0 N-CA-C 105.042 -2.207 . . . . 0.0 105.042 173.067 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.688 ' HG2' ' HA ' ' A' ' 15' ' ' SER . 0.6 OUTLIER -69.42 -29.82 67.63 Favored 'General case' 0 N--CA 1.5 2.073 0 C-N-CA 124.26 1.024 . . . . 0.0 112.027 177.389 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.608 ' CG1' ' HA ' ' A' ' 16' ' ' MET . 1.2 p -74.75 -47.1 39.51 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.846 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 -176.457 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -68.99 -33.52 73.82 Favored 'General case' 0 N--CA 1.509 2.497 0 N-CA-C 106.975 -1.491 . . . . 0.0 106.975 175.079 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.587 ' CE2' ' HD3' ' A' ' 25' ' ' LYS . 23.5 t90 -60.8 -45.88 92.67 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 176.712 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.555 ' HA ' ' HG2' ' A' ' 25' ' ' LYS . 0.2 OUTLIER -61.48 -37.67 84.49 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 120.479 -0.488 . . . . 0.0 110.022 -178.187 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.3 ttp180 -65.39 -40.43 93.45 Favored 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 107.309 -1.367 . . . . 0.0 107.309 176.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.16 -28.61 69.78 Favored 'General case' 0 N--CA 1.503 2.194 0 O-C-N 122.177 -0.327 . . . . 0.0 110.397 177.416 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.587 ' HD3' ' CE2' ' A' ' 21' ' ' TRP . 0.2 OUTLIER -55.35 -39.55 70.17 Favored 'General case' 0 N--CA 1.517 2.918 0 CA-C-N 118.766 0.712 . . . . 0.0 109.75 179.051 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.0 tt -60.39 -47.96 83.81 Favored 'General case' 0 N--CA 1.507 2.383 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 177.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -62.62 -30.34 71.28 Favored 'General case' 0 N--CA 1.505 2.316 0 O-C-N 122.188 -0.32 . . . . 0.0 110.188 178.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -66.96 -48.28 69.02 Favored 'General case' 0 N--CA 1.507 2.382 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 178.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.9 t -59.36 -39.47 79.09 Favored 'Isoleucine or valine' 0 N--CA 1.516 2.851 0 O-C-N 121.895 -0.503 . . . . 0.0 109.79 179.045 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 54.4 m80 -72.81 -41.82 64.52 Favored 'General case' 0 N--CA 1.503 2.202 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 179.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 35.4 m120 -136.33 91.32 2.66 Favored 'General case' 0 N--CA 1.501 2.084 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 179.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 22.7 p90 -105.91 -148.83 0.41 Allowed 'General case' 0 N--CA 1.515 2.788 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 58.6 t -66.58 90.43 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.511 2.588 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 179.349 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 177.24 -47.68 0.01 OUTLIER 'General case' 0 N--CA 1.508 2.433 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 -178.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.2 tp . . . . . 0 N--CA 1.499 1.986 0 CA-C-O 117.713 -1.136 . . . . 0.0 109.617 178.897 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.581 ' HA ' ' HD3' ' A' ' 18' ' ' ARG . 24.2 m . . . . . 0 N--CA 1.534 3.746 0 N-CA-C 114.83 1.419 . . . . 0.0 114.83 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.549 ' HA ' ' CG1' ' A' ' 19' ' ' VAL . 0.2 OUTLIER -81.1 6.55 13.35 Favored 'General case' 0 N--CA 1.517 2.89 0 CA-C-N 119.811 1.187 . . . . 0.0 112.638 -179.69 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -105.33 -34.83 7.73 Favored 'General case' 0 N--CA 1.495 1.818 0 N-CA-C 106.131 -1.803 . . . . 0.0 106.131 175.253 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.581 ' HD3' ' HA ' ' A' ' 15' ' ' SER . 0.6 OUTLIER -62.51 -44.41 96.43 Favored 'General case' 0 N--CA 1.495 1.81 0 C-N-CA 124.027 0.931 . . . . 0.0 108.545 177.413 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.549 ' CG1' ' HA ' ' A' ' 16' ' ' MET . 1.4 p -50.71 -47.71 28.29 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 CA-C-N 115.219 -0.9 . . . . 0.0 110.428 179.598 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -81.66 -34.68 30.63 Favored 'General case' 0 N--CA 1.514 2.745 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 177.633 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.432 ' HB3' ' HA ' ' A' ' 18' ' ' ARG . 17.6 t90 -58.08 -38.47 76.44 Favored 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 177.103 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.78 -37.25 78.53 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.032 -177.609 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.6 ttm105 -60.06 -52.2 66.39 Favored 'General case' 0 N--CA 1.495 1.813 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 177.633 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.55 -39.94 88.79 Favored 'General case' 0 N--CA 1.505 2.299 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 178.495 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.51 -40.21 68.35 Favored 'General case' 0 N--CA 1.512 2.633 0 CA-C-N 118.01 0.368 . . . . 0.0 110.127 179.051 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.5 tp -64.61 -40.77 96.09 Favored 'General case' 0 N--CA 1.504 2.254 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 177.71 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -68.96 -28.41 66.61 Favored 'General case' 0 N--CA 1.51 2.529 0 O-C-N 121.761 -0.587 . . . . 0.0 110.261 178.037 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -70.44 -50.55 37.11 Favored 'General case' 0 N--CA 1.505 2.285 0 O-C-N 121.657 -0.652 . . . . 0.0 111.725 -178.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 34.7 m . . . . . 0 N--CA 1.514 2.732 0 N-CA-C 113.133 0.79 . . . . 0.0 113.133 -177.567 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.678 ' N ' ' HD3' ' A' ' 18' ' ' ARG . 91.4 p . . . . . 1 N--CA 1.569 5.483 0 N-CA-C 121.51 3.892 . . . . 0.0 121.51 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.488 ' HA ' HG12 ' A' ' 19' ' ' VAL . 0.3 OUTLIER -78.44 -24.88 45.88 Favored 'General case' 0 N--CA 1.534 3.725 0 O-C-N 119.566 -1.959 . . . . 0.0 113.732 -173.273 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.609 ' HG2' ' CZ ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -88.39 14.37 9.77 Favored 'General case' 1 N--CA 1.552 4.644 0 N-CA-C 106.778 -1.564 . . . . 0.0 106.778 172.461 . . . . . . . . 4 4 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.783 ' HA ' ' HB3' ' A' ' 21' ' ' TRP . 4.5 mpt_? -121.97 -42.06 2.41 Favored 'General case' 0 C--O 1.203 -1.346 0 C-N-CA 124.601 1.16 . . . . 0.0 110.092 -172.087 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.488 HG12 ' HA ' ' A' ' 16' ' ' MET . 2.3 p -54.62 -36.4 35.64 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 N-CA-C 107.532 -1.284 . . . . 0.0 107.532 175.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -86.9 -36.26 18.5 Favored 'General case' 0 N--CA 1.512 2.672 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 175.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.783 ' HB3' ' HA ' ' A' ' 18' ' ' ARG . 16.3 t90 -53.18 -40.25 64.23 Favored 'General case' 0 N--CA 1.508 2.431 0 N-CA-C 108.785 -0.821 . . . . 0.0 108.785 175.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -56.93 -37.1 71.03 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.5 -178.174 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.99 -48.04 82.11 Favored 'General case' 0 N--CA 1.497 1.904 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 176.595 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.4 ttmt -67.67 -30.82 70.45 Favored 'General case' 0 N--CA 1.506 2.327 0 O-C-N 122.313 -0.242 . . . . 0.0 110.437 178.138 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.65 -39.32 73.48 Favored 'General case' 0 N--CA 1.513 2.684 0 CA-C-N 118.465 0.575 . . . . 0.0 110.219 179.565 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.6 tp -64.4 -39.47 93.92 Favored 'General case' 0 N--CA 1.505 2.282 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 177.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -72.27 -33.78 67.72 Favored 'General case' 0 N--CA 1.507 2.413 0 O-C-N 121.929 -0.482 . . . . 0.0 110.219 178.627 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 39.7 m-20 -56.04 -39.25 71.7 Favored 'General case' 0 N--CA 1.511 2.612 0 O-C-N 121.758 -0.589 . . . . 0.0 110.595 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 30.2 m . . . . . 0 N--CA 1.512 2.639 0 O-C-N 121.824 -0.547 . . . . 0.0 111.856 179.307 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.497 1.904 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.583 ' HA ' ' CG1' ' A' ' 19' ' ' VAL . 7.1 ttp -97.48 -9.26 27.52 Favored 'General case' 0 N--CA 1.502 2.166 0 CA-C-O 119.129 -0.462 . . . . 0.0 112.152 -179.435 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -95.36 -27.97 15.18 Favored 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 104.773 -2.306 . . . . 0.0 104.773 174.478 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.599 ' HG2' ' N ' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -63.28 -44.69 94.37 Favored 'General case' 0 N--CA 1.497 1.892 0 C-N-CA 125.161 1.384 . . . . 0.0 109.782 177.196 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.599 ' N ' ' HG2' ' A' ' 18' ' ' ARG . 1.5 p -58.82 -45.64 91.38 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.017 0 CA-C-N 114.425 -1.261 . . . . 0.0 109.784 -177.489 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -78.76 -34.01 46.01 Favored 'General case' 0 N--CA 1.512 2.654 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 177.01 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.43 ' HB3' ' HA ' ' A' ' 18' ' ' ARG . 23.2 t90 -57.95 -42.59 85.26 Favored 'General case' 0 N--CA 1.5 2.043 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 177.322 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.497 ' HA ' ' HB2' ' A' ' 25' ' ' LYS . 1.9 mm? -61.2 -36.82 80.94 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.934 -177.742 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.1 mtm-85 -57.25 -52.93 63.33 Favored 'General case' 0 N--CA 1.502 2.143 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 177.482 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.96 -39.38 90.37 Favored 'General case' 0 N--CA 1.502 2.154 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 178.338 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.497 ' HB2' ' HA ' ' A' ' 22' ' ' LEU . 0.1 OUTLIER -55.64 -39.28 70.65 Favored 'General case' 0 N--CA 1.513 2.694 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 177.925 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.4 tp -62.13 -42.63 99.43 Favored 'General case' 0 N--CA 1.5 2.067 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 177.519 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -65.72 -31.36 72.31 Favored 'General case' 0 N--CA 1.505 2.318 0 O-C-N 121.892 -0.505 . . . . 0.0 110.369 178.381 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -61.72 -19.79 62.79 Favored 'General case' 0 N--CA 1.511 2.578 0 O-C-N 121.687 -0.633 . . . . 0.0 111.501 179.645 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 48.2 t . . . . . 0 N--CA 1.506 2.347 0 O-C-N 121.211 -0.93 . . . . 0.0 110.063 -179.907 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.598 ' HA ' ' HG2' ' A' ' 18' ' ' ARG . 0.6 OUTLIER . . . . . 0 N--CA 1.505 2.294 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.468 ' HA ' ' CG1' ' A' ' 19' ' ' VAL . 1.2 ptp -104.76 -10.71 17.24 Favored 'General case' 0 N--CA 1.508 2.454 0 CA-C-N 119.52 1.055 . . . . 0.0 111.585 -179.476 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.1 -23.65 15.65 Favored 'General case' 0 N--CA 1.506 2.327 0 N-CA-C 105.594 -2.002 . . . . 0.0 105.594 174.197 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.598 ' HG2' ' HA ' ' A' ' 15' ' ' SER . 0.0 OUTLIER -70.67 -36.24 73.23 Favored 'General case' 0 N--CA 1.501 2.077 0 C-N-CA 123.986 0.914 . . . . 0.0 110.492 177.867 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.468 ' CG1' ' HA ' ' A' ' 16' ' ' MET . 0.9 OUTLIER -61.09 -45.12 99.2 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.865 0 CA-C-N 115.372 -0.831 . . . . 0.0 108.812 -178.467 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -77.17 -35.17 56.18 Favored 'General case' 0 N--CA 1.508 2.441 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 176.176 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 20.7 t90 -58.59 -41.81 86.64 Favored 'General case' 0 N--CA 1.493 1.709 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 177.474 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.423 ' HG ' ' N ' ' A' ' 23' ' ' ARG . 0.1 OUTLIER -64.64 -41.56 96.05 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 -177.787 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.423 ' N ' ' HG ' ' A' ' 22' ' ' LEU . 6.7 ttp180 -64.37 -43.64 93.88 Favored 'General case' 0 N--CA 1.497 1.887 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 177.532 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.54 -44.9 85.44 Favored 'General case' 0 N--CA 1.5 2.067 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 178.237 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.18 -37.69 72.51 Favored 'General case' 0 N--CA 1.51 2.563 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 178.786 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.0 tt -61.76 -34.49 75.95 Favored 'General case' 0 N--CA 1.508 2.456 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 178.093 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -85.59 -35.34 21.08 Favored 'General case' 0 N--CA 1.503 2.223 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 178.626 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -59.06 -53.95 52.56 Favored 'General case' 0 N--CA 1.514 2.752 0 N-CA-C 106.652 -1.61 . . . . 0.0 106.652 177.725 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 57.2 t . . . . . 0 N--CA 1.498 1.935 0 N-CA-C 105.224 -2.139 . . . . 0.0 105.224 174.477 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.515 ' CA ' ' HG3' ' A' ' 18' ' ' ARG . 59.3 p . . . . . 0 N--CA 1.517 2.894 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -77.77 -19.06 55.76 Favored 'General case' 0 N--CA 1.506 2.364 0 CA-C-N 119.502 1.046 . . . . 0.0 108.425 178.355 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -72.73 -31.2 64.78 Favored 'General case' 0 N--CA 1.507 2.379 0 N-CA-C 106.071 -1.826 . . . . 0.0 106.071 173.502 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.746 ' HB2' ' CD1' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -90.82 -91.27 0.15 Allowed 'General case' 0 C--O 1.204 -1.313 0 CA-C-O 117.545 -1.217 . . . . 0.0 109.85 179.59 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.441 HG12 ' O ' ' A' ' 15' ' ' SER . 0.1 OUTLIER 47.68 -68.14 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.51 2.542 0 C-N-CA 125.59 1.556 . . . . 0.0 111.352 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.503 ' N ' ' O ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -61.34 -33.59 73.88 Favored 'General case' 0 N--CA 1.501 2.088 0 N-CA-C 106.757 -1.572 . . . . 0.0 106.757 174.342 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.746 ' CD1' ' HB2' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -50.89 -45.52 60.22 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.937 0.895 . . . . 0.0 109.262 175.837 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.488 ' N ' ' CD1' ' A' ' 21' ' ' TRP . 0.2 OUTLIER -67.12 -38.93 86.44 Favored 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 114.992 -1.004 . . . . 0.0 110.031 -176.453 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.422 ' N ' ' HG ' ' A' ' 22' ' ' LEU . 1.0 OUTLIER -67.56 -42.57 82.41 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 178.412 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.57 -32.66 66.2 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.695 -0.628 . . . . 0.0 109.383 178.103 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.424 ' HE2' ' CH2' ' A' ' 21' ' ' TRP . 0.1 OUTLIER -50.48 -40.02 49.84 Favored 'General case' 0 N--CA 1.514 2.731 0 C-N-CA 122.702 0.401 . . . . 0.0 110.852 179.401 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.6 mt -55.87 -36.11 67.24 Favored 'General case' 0 N--CA 1.514 2.767 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 178.706 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -83.8 -36.51 23.48 Favored 'General case' 0 N--CA 1.503 2.192 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 178.365 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -59.54 -42.6 92.7 Favored 'General case' 0 N--CA 1.509 2.522 0 O-C-N 121.957 -0.464 . . . . 0.0 111.596 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.511 2.582 0 O-C-N 121.571 -0.706 . . . . 0.0 112.464 -178.125 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.516 ' O ' ' HG3' ' A' ' 18' ' ' ARG . 1.6 m . . . . . 0 N--CA 1.521 3.077 0 N-CA-C 113.512 0.93 . . . . 0.0 113.512 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 7.6 mtp -79.58 -15.3 57.92 Favored 'General case' 0 N--CA 1.517 2.911 0 CA-C-N 120.372 1.442 . . . . 0.0 110.05 179.114 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -92.12 -28.52 17.05 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 106.671 -1.603 . . . . 0.0 106.671 174.493 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.862 ' HA ' ' HB3' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -83.59 -28.67 28.37 Favored 'General case' 0 C--O 1.191 -1.996 0 CA-C-O 122.963 1.363 . . . . 0.0 113.277 -179.86 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.408 ' H ' HG12 ' A' ' 19' ' ' VAL . 0.2 OUTLIER -44.53 -43.05 2.27 Favored 'Isoleucine or valine' 0 C--N 1.254 -3.56 0 O-C-N 120.112 -1.617 . . . . 0.0 110.373 -178.018 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -76.98 -35.22 57.35 Favored 'General case' 0 N--CA 1.526 3.327 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 175.334 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.862 ' HB3' ' HA ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -50.07 -45.86 52.81 Favored 'General case' 0 N--CA 1.509 2.483 0 C-N-CA 125.072 1.349 . . . . 0.0 109.043 175.56 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.449 ' N ' ' CD1' ' A' ' 21' ' ' TRP . 6.0 mt -56.97 -41.33 78.15 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.402 -176.037 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.9 -39.15 64.08 Favored 'General case' 0 N--CA 1.493 1.711 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.061 178.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.534 ' O ' ' HG3' ' A' ' 27' ' ' GLN . 11.7 tptp -76.53 -51.67 11.24 Favored 'General case' 0 N--CA 1.51 2.555 0 O-C-N 121.686 -0.634 . . . . 0.0 111.112 -179.038 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.513 ' O ' HG23 ' A' ' 29' ' ' VAL . 1.6 pptp? -65.69 -27.7 68.53 Favored 'General case' 0 N--CA 1.506 2.341 0 O-C-N 121.05 -1.031 . . . . 0.0 110.623 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 47.5 tp -66.6 -53.46 34.16 Favored 'General case' 0 N--CA 1.507 2.413 0 O-C-N 121.415 -0.803 . . . . 0.0 109.077 178.536 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.534 ' HG3' ' O ' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -62.89 -31.69 72.8 Favored 'General case' 0 N--CA 1.509 2.522 0 O-C-N 121.865 -0.522 . . . . 0.0 109.754 178.735 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -68.71 -39.05 80.63 Favored 'General case' 0 N--CA 1.506 2.338 0 O-C-N 121.628 -0.67 . . . . 0.0 109.238 177.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 25' ' ' LYS . 42.4 t . . . . . 0 N--CA 1.512 2.653 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 178.168 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.517 2.893 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.568 ' HA ' ' CG1' ' A' ' 19' ' ' VAL . 1.2 ttt -71.62 -4.11 25.32 Favored 'General case' 0 N--CA 1.511 2.594 0 CA-C-N 119.094 0.861 . . . . 0.0 111.343 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -95.84 -28.8 14.55 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 106.024 -1.843 . . . . 0.0 106.024 174.648 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.52 ' HG2' ' N ' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -64.07 -38.16 90.05 Favored 'General case' 0 N--CA 1.504 2.27 0 CA-C-O 121.985 0.898 . . . . 0.0 109.767 177.64 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.568 ' CG1' ' HA ' ' A' ' 16' ' ' MET . 0.5 OUTLIER -63.64 -47.26 92.06 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.719 0 CA-C-N 114.568 -1.196 . . . . 0.0 108.993 -177.549 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -74.73 -31.45 61.83 Favored 'General case' 0 N--CA 1.513 2.692 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 175.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.446 ' HB3' ' HA ' ' A' ' 18' ' ' ARG . 23.3 t90 -63.07 -38.47 91.33 Favored 'General case' 0 N--CA 1.497 1.88 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 177.259 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 19' ' ' VAL . 0.2 OUTLIER -62.71 -35.82 80.96 Favored 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 -178.184 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.9 -37.53 81.84 Favored 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 177.296 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.29 -11.89 53.68 Favored 'General case' 0 N--CA 1.503 2.224 0 O-C-N 121.785 -0.572 . . . . 0.0 111.096 178.147 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.38 -35.24 67.49 Favored 'General case' 0 N--CA 1.513 2.684 0 CA-C-N 119.315 0.961 . . . . 0.0 110.658 -179.664 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.5 tp -60.35 -38.1 82.76 Favored 'General case' 0 N--CA 1.507 2.418 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 177.449 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 49.2 mm-40 -80.75 -29.83 36.22 Favored 'General case' 0 N--CA 1.504 2.225 0 O-C-N 121.819 -0.551 . . . . 0.0 109.983 178.206 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -58.34 -51.18 70.86 Favored 'General case' 0 N--CA 1.512 2.653 0 N-CA-C 106.941 -1.503 . . . . 0.0 106.941 177.544 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.4 t . . . . . 0 N--CA 1.505 2.321 0 N-CA-C 106.301 -1.74 . . . . 0.0 106.301 175.55 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.617 ' HA ' ' CG ' ' A' ' 18' ' ' ARG . 6.1 m . . . . . 0 N--CA 1.511 2.607 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 13.4 ttp 79.66 -42.75 0.27 Allowed 'General case' 0 N--CA 1.521 3.118 0 C-N-CA 123.57 0.748 . . . . 0.0 109.299 -178.014 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.79 -20.34 62.61 Favored 'General case' 0 N--CA 1.499 2.002 0 N-CA-C 104.632 -2.359 . . . . 0.0 104.632 171.343 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.884 ' HB2' ' CD1' ' A' ' 21' ' ' TRP . 0.8 OUTLIER -97.6 -92.58 0.24 Allowed 'General case' 0 C--O 1.202 -1.426 0 CA-C-O 117.591 -1.195 . . . . 0.0 110.015 179.119 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.4 ' H ' ' CG ' ' A' ' 18' ' ' ARG . 0.2 OUTLIER 43.81 -66.67 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.511 2.598 0 C-N-CA 126.576 1.95 . . . . 0.0 112.777 179.287 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 18' ' ' ARG . 3.8 mm-40 -60.97 -29.31 69.58 Favored 'General case' 0 N--CA 1.512 2.655 0 N-CA-C 106.614 -1.624 . . . . 0.0 106.614 173.823 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.884 ' CD1' ' HB2' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -54.29 -44.19 71.71 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 124.633 1.173 . . . . 0.0 109.496 176.107 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.505 ' HG ' ' CD1' ' A' ' 21' ' ' TRP . 6.2 mt -62.88 -42.05 99.62 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.435 -177.693 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.9 ttp180 -66.24 -41.42 90.03 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 177.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.35 -21.6 55.91 Favored 'General case' 0 N--CA 1.506 2.338 0 O-C-N 121.819 -0.551 . . . . 0.0 111.39 179.014 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -56.88 -37.85 71.94 Favored 'General case' 0 N--CA 1.514 2.749 0 CA-C-N 118.9 0.773 . . . . 0.0 110.206 179.622 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 25.8 mt -62.62 -38.8 91.63 Favored 'General case' 0 N--CA 1.513 2.678 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 177.485 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -81.67 -4.72 56.93 Favored 'General case' 0 N--CA 1.505 2.303 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.291 179.216 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -110.26 -7.14 14.88 Favored 'General case' 0 N--CA 1.508 2.43 0 O-C-N 121.356 -0.84 . . . . 0.0 111.189 179.242 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 71.3 t . . . . . 0 N--CA 1.504 2.256 0 O-C-N 121.118 -0.989 . . . . 0.0 110.431 -178.855 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.545 ' HA ' ' CG ' ' A' ' 18' ' ' ARG . 0.5 OUTLIER . . . . . 0 N--CA 1.516 2.867 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.82 -19.85 26.9 Favored 'General case' 0 N--CA 1.516 2.864 0 CA-C-N 119.727 1.149 . . . . 0.0 109.244 178.394 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -82.56 -20.37 36.7 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 106.096 -1.816 . . . . 0.0 106.096 173.331 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.739 ' HB2' ' CD1' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -92.41 -84.48 0.28 Allowed 'General case' 0 C--O 1.197 -1.662 0 CA-C-O 117.124 -1.417 . . . . 0.0 108.923 177.444 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.424 ' H ' ' CG ' ' A' ' 18' ' ' ARG . 0.2 OUTLIER 35.13 -71.55 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.504 2.27 0 C-N-CA 126.438 1.895 . . . . 0.0 113.2 178.717 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 18' ' ' ARG . 0.9 OUTLIER -56.95 -33.41 66.99 Favored 'General case' 0 N--CA 1.515 2.813 0 N-CA-C 107.182 -1.414 . . . . 0.0 107.182 174.597 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.739 ' CD1' ' HB2' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -50.5 -49.03 56.63 Favored 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 124.976 1.31 . . . . 0.0 109.383 175.519 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.41 ' N ' ' CD1' ' A' ' 21' ' ' TRP . 0.2 OUTLIER -61.24 -38.51 86.91 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 114.742 -1.117 . . . . 0.0 110.95 -175.58 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.402 ' N ' ' HG ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -73.41 -44.27 58.74 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 178.191 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.465 ' HE2' ' HB2' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -65.54 -30.89 71.69 Favored 'General case' 0 N--CA 1.503 2.208 0 O-C-N 122.04 -0.412 . . . . 0.0 110.905 179.623 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.6 mmmt -53.4 -41.87 66.38 Favored 'General case' 0 N--CA 1.512 2.658 0 CA-C-N 118.463 0.574 . . . . 0.0 110.498 179.398 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.4 tp -64.39 -41.71 96.53 Favored 'General case' 0 N--CA 1.507 2.415 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 178.723 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.465 ' HB2' ' HE2' ' A' ' 24' ' ' LYS . 33.7 mt-30 -80.4 -7.82 59.27 Favored 'General case' 0 N--CA 1.51 2.564 0 O-C-N 121.946 -0.471 . . . . 0.0 111.581 179.172 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -106.37 -12.74 15.57 Favored 'General case' 0 N--CA 1.505 2.304 0 O-C-N 121.28 -0.887 . . . . 0.0 111.289 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 92.6 t . . . . . 0 N--CA 1.505 2.29 0 O-C-N 121.275 -0.891 . . . . 0.0 109.929 -179.565 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.74 ' HA ' ' HG2' ' A' ' 18' ' ' ARG . 5.1 m . . . . . 0 N--CA 1.504 2.262 0 CA-C-O 120.814 0.34 . . . . 0.0 110.335 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.563 ' HA ' ' CG1' ' A' ' 19' ' ' VAL . 1.2 mtp 76.98 -34.62 0.22 Allowed 'General case' 0 N--CA 1.524 3.239 0 C-N-CA 123.878 0.871 . . . . 0.0 111.078 -179.174 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -88.05 -27.24 22.12 Favored 'General case' 0 N--CA 1.498 1.944 0 N-CA-C 105.042 -2.207 . . . . 0.0 105.042 173.067 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.74 ' HG2' ' HA ' ' A' ' 15' ' ' SER . 0.6 OUTLIER -69.42 -29.82 67.63 Favored 'General case' 0 N--CA 1.5 2.073 0 C-N-CA 124.26 1.024 . . . . 0.0 112.027 177.389 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.741 ' HA ' HD23 ' A' ' 22' ' ' LEU . 1.2 p -74.75 -47.1 39.51 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.846 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 -176.457 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -68.99 -33.52 73.82 Favored 'General case' 0 N--CA 1.509 2.497 0 N-CA-C 106.975 -1.491 . . . . 0.0 106.975 175.079 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.608 ' CE2' ' HD3' ' A' ' 25' ' ' LYS . 23.5 t90 -60.8 -45.88 92.67 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 176.712 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.741 HD23 ' HA ' ' A' ' 19' ' ' VAL . 0.2 OUTLIER -61.48 -37.67 84.49 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 120.479 -0.488 . . . . 0.0 110.022 -178.187 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.411 ' N ' ' HG ' ' A' ' 22' ' ' LEU . 8.3 ttp180 -65.39 -40.43 93.45 Favored 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 107.309 -1.367 . . . . 0.0 107.309 176.185 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.16 -28.61 69.78 Favored 'General case' 0 N--CA 1.503 2.194 0 O-C-N 122.177 -0.327 . . . . 0.0 110.397 177.416 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.608 ' HD3' ' CE2' ' A' ' 21' ' ' TRP . 0.2 OUTLIER -55.35 -39.55 70.17 Favored 'General case' 0 N--CA 1.517 2.918 0 CA-C-N 118.766 0.712 . . . . 0.0 109.75 179.051 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.0 tt -60.39 -47.96 83.81 Favored 'General case' 0 N--CA 1.507 2.383 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 177.817 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -62.62 -30.34 71.28 Favored 'General case' 0 N--CA 1.505 2.316 0 O-C-N 122.188 -0.32 . . . . 0.0 110.188 178.299 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -66.96 -48.28 69.02 Favored 'General case' 0 N--CA 1.507 2.382 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 178.467 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.9 t . . . . . 0 N--CA 1.516 2.851 0 O-C-N 121.895 -0.503 . . . . 0.0 109.79 179.045 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.554 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 70.86 133.49 0.04 OUTLIER 'General case' 0 N--CA 1.516 2.828 0 CA-C-O 121.455 0.645 . . . . 0.0 111.142 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.499 ' HB ' ' HB2' ' A' ' 6' ' ' MET . 26.0 mm -123.84 158.0 30.14 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.387 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 179.443 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 6.1 pm0 -58.97 -35.07 72.57 Favored 'General case' 0 N--CA 1.516 2.864 0 O-C-N 121.962 -0.462 . . . . 0.0 111.018 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.428 HD22 HG11 ' A' ' 29' ' ' VAL . 0.6 OUTLIER -91.03 -30.35 16.84 Favored 'General case' 0 N--CA 1.508 2.462 0 O-C-N 121.647 -0.658 . . . . 0.0 110.272 178.819 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.499 ' HB2' ' HB ' ' A' ' 3' ' ' ILE . 0.7 OUTLIER -69.73 -34.73 74.25 Favored 'General case' 0 N--CA 1.509 2.49 0 O-C-N 121.756 -0.59 . . . . 0.0 110.595 179.469 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.477 ' HA ' ' HE3' ' A' ' 11' ' ' LYS . 1.0 OUTLIER -57.76 -47.27 82.97 Favored 'General case' 0 N--CA 1.507 2.389 0 O-C-N 121.965 -0.459 . . . . 0.0 110.558 -179.876 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -93.24 169.76 10.14 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 122.014 -0.429 . . . . 0.0 110.284 179.65 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 72.94 -77.6 0.05 Allowed 'General case' 0 N--CA 1.508 2.466 0 C-N-CA 123.518 0.727 . . . . 0.0 110.529 179.633 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -119.78 80.51 0.32 Allowed Glycine 0 N--CA 1.489 2.178 0 N-CA-C 110.459 -1.056 . . . . 0.0 110.459 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.542 ' HE2' ' HA ' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -66.0 -48.8 70.0 Favored 'General case' 0 N--CA 1.508 2.445 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 178.429 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.635 ' O ' HD12 ' A' ' 13' ' ' LEU . 4.0 p80 -118.47 142.91 47.1 Favored 'General case' 0 N--CA 1.504 2.245 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 177.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.635 HD12 ' O ' ' A' ' 12' ' ' HIS . 0.1 OUTLIER -150.81 169.06 22.59 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 115.459 1.652 . . . . 0.0 115.459 -176.541 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -128.58 140.92 51.54 Favored 'General case' 0 N--CA 1.485 1.324 0 CA-C-N 113.333 -1.758 . . . . 0.0 106.853 178.61 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.581 ' HA ' ' HD3' ' A' ' 18' ' ' ARG . 24.2 m -33.52 -47.82 0.24 Allowed 'General case' 0 N--CA 1.534 3.746 0 N-CA-C 114.83 1.419 . . . . 0.0 114.83 -176.8 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.549 ' HA ' ' CG1' ' A' ' 19' ' ' VAL . 0.2 OUTLIER -81.1 6.55 13.35 Favored 'General case' 0 N--CA 1.517 2.89 0 CA-C-N 119.811 1.187 . . . . 0.0 112.638 -179.69 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.565 ' HB3' HD23 ' A' ' 13' ' ' LEU . 26.4 tt0 -105.33 -34.83 7.73 Favored 'General case' 0 N--CA 1.495 1.818 0 N-CA-C 106.131 -1.803 . . . . 0.0 106.131 175.253 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.604 ' HG3' HD22 ' A' ' 13' ' ' LEU . 0.6 OUTLIER -62.51 -44.41 96.43 Favored 'General case' 0 N--CA 1.495 1.81 0 C-N-CA 124.027 0.931 . . . . 0.0 108.545 177.413 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.549 ' CG1' ' HA ' ' A' ' 16' ' ' MET . 1.4 p -50.71 -47.71 28.29 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 CA-C-N 115.219 -0.9 . . . . 0.0 110.428 179.598 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -81.66 -34.68 30.63 Favored 'General case' 0 N--CA 1.514 2.745 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 177.633 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.432 ' HB3' ' HA ' ' A' ' 18' ' ' ARG . 17.6 t90 -58.08 -38.47 76.44 Favored 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 177.103 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.78 -37.25 78.53 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.032 -177.609 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.6 ttm105 -60.06 -52.2 66.39 Favored 'General case' 0 N--CA 1.495 1.813 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 177.633 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.55 -39.94 88.79 Favored 'General case' 0 N--CA 1.505 2.299 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 178.495 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.51 -40.21 68.35 Favored 'General case' 0 N--CA 1.512 2.633 0 CA-C-N 118.01 0.368 . . . . 0.0 110.127 179.051 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.5 tp -64.61 -40.77 96.09 Favored 'General case' 0 N--CA 1.504 2.254 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 177.71 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -68.96 -28.41 66.61 Favored 'General case' 0 N--CA 1.51 2.529 0 O-C-N 121.761 -0.587 . . . . 0.0 110.261 178.037 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -70.44 -50.55 37.11 Favored 'General case' 0 N--CA 1.505 2.285 0 O-C-N 121.657 -0.652 . . . . 0.0 111.725 -178.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.57 ' HB ' ' CD1' ' A' ' 32' ' ' PHE . 34.7 m -123.6 -32.28 1.21 Allowed 'Isoleucine or valine' 0 N--CA 1.514 2.732 0 N-CA-C 113.133 0.79 . . . . 0.0 113.133 -177.567 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 46.47 -97.0 0.03 OUTLIER 'General case' 0 N--CA 1.531 3.613 0 CA-C-N 119.394 0.997 . . . . 0.0 111.406 177.461 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 36.0 t30 -102.13 -50.61 3.59 Favored 'General case' 0 N--CA 1.505 2.312 0 O-C-N 121.189 -0.945 . . . . 0.0 109.366 179.2 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.57 ' CD1' ' HB ' ' A' ' 29' ' ' VAL . 21.8 p90 38.88 29.48 0.03 OUTLIER 'General case' 0 N--CA 1.532 3.635 0 N-CA-C 113.658 0.985 . . . . 0.0 113.658 179.438 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.4 t 56.49 18.94 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.512 2.654 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 -177.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 46.2 40.88 8.03 Favored 'General case' 0 N--CA 1.492 1.643 0 CA-C-O 121.901 0.858 . . . . 0.0 110.094 -178.436 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.7 tt . . . . . 0 N--CA 1.493 1.695 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.668 -179.11 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.48 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -89.28 136.94 32.74 Favored 'General case' 0 N--CA 1.504 2.25 0 CA-C-O 121.145 0.498 . . . . 0.0 109.861 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.0 mp -86.81 160.24 3.03 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.596 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 179.443 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 35.4 tp60 -57.22 -45.75 83.58 Favored 'General case' 0 N--CA 1.51 2.567 0 O-C-N 121.562 -0.711 . . . . 0.0 109.346 178.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.5 pp -66.58 -34.56 78.16 Favored 'General case' 0 N--CA 1.51 2.55 0 O-C-N 121.893 -0.505 . . . . 0.0 109.647 177.7 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.03 -17.36 62.62 Favored 'General case' 0 N--CA 1.505 2.284 0 O-C-N 121.807 -0.558 . . . . 0.0 111.019 178.794 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.9 -36.02 74.0 Favored 'General case' 0 N--CA 1.509 2.483 0 CA-C-N 119.099 0.863 . . . . 0.0 109.665 178.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 70.3 m-80 -69.81 -39.86 76.28 Favored 'General case' 0 N--CA 1.505 2.3 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 177.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.411 ' O ' HD22 ' A' ' 13' ' ' LEU . 1.1 tt -62.86 -47.43 83.38 Favored 'General case' 0 N--CA 1.506 2.356 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 178.224 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -92.97 54.91 2.57 Favored Glycine 0 N--CA 1.5 2.914 0 N-CA-C 109.247 -1.541 . . . . 0.0 109.247 178.437 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.47 -31.48 2.03 Favored 'General case' 0 N--CA 1.512 2.653 0 O-C-N 122.279 -0.542 . . . . 0.0 110.737 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -164.65 98.27 0.78 Allowed 'General case' 0 N--CA 1.509 2.478 0 N-CA-C 105.863 -1.903 . . . . 0.0 105.863 -179.428 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.87 ' HG ' ' HG3' ' A' ' 18' ' ' ARG . 1.1 pt? -146.7 -121.5 0.07 Allowed 'General case' 0 N--CA 1.502 2.171 0 O-C-N 121.11 -0.994 . . . . 0.0 112.831 -175.573 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.696 ' N ' ' HG2' ' A' ' 18' ' ' ARG . 0.6 OUTLIER -145.89 -79.62 0.17 Allowed 'General case' 1 N--CA 1.54 4.034 0 N-CA-C 118.666 2.839 . . . . 0.0 118.666 -175.442 . . . . . . . . 4 4 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.678 ' N ' ' HD3' ' A' ' 18' ' ' ARG . 91.4 p -107.7 -89.02 0.46 Allowed 'General case' 1 N--CA 1.569 5.483 0 N-CA-C 121.51 3.892 . . . . 0.0 121.51 -173.441 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.488 ' HA ' HG12 ' A' ' 19' ' ' VAL . 0.3 OUTLIER -78.44 -24.88 45.88 Favored 'General case' 0 N--CA 1.534 3.725 0 O-C-N 119.566 -1.959 . . . . 0.0 113.732 -173.273 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.609 ' HG2' ' CZ ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -88.39 14.37 9.77 Favored 'General case' 1 N--CA 1.552 4.644 0 N-CA-C 106.778 -1.564 . . . . 0.0 106.778 172.461 . . . . . . . . 4 4 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.87 ' HG3' ' HG ' ' A' ' 13' ' ' LEU . 4.5 mpt_? -121.97 -42.06 2.41 Favored 'General case' 0 C--O 1.203 -1.346 0 C-N-CA 124.601 1.16 . . . . 0.0 110.092 -172.087 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.488 HG12 ' HA ' ' A' ' 16' ' ' MET . 2.3 p -54.62 -36.4 35.64 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 N-CA-C 107.532 -1.284 . . . . 0.0 107.532 175.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -86.9 -36.26 18.5 Favored 'General case' 0 N--CA 1.512 2.672 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 175.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.783 ' HB3' ' HA ' ' A' ' 18' ' ' ARG . 16.3 t90 -53.18 -40.25 64.23 Favored 'General case' 0 N--CA 1.508 2.431 0 N-CA-C 108.785 -0.821 . . . . 0.0 108.785 175.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -56.93 -37.1 71.03 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.5 -178.174 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.99 -48.04 82.11 Favored 'General case' 0 N--CA 1.497 1.904 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 176.595 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.4 ttmt -67.67 -30.82 70.45 Favored 'General case' 0 N--CA 1.506 2.327 0 O-C-N 122.313 -0.242 . . . . 0.0 110.437 178.138 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.65 -39.32 73.48 Favored 'General case' 0 N--CA 1.513 2.684 0 CA-C-N 118.465 0.575 . . . . 0.0 110.219 179.565 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.6 tp -64.4 -39.47 93.92 Favored 'General case' 0 N--CA 1.505 2.282 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 177.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -72.27 -33.78 67.72 Favored 'General case' 0 N--CA 1.507 2.413 0 O-C-N 121.929 -0.482 . . . . 0.0 110.219 178.627 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 39.7 m-20 -56.04 -39.25 71.7 Favored 'General case' 0 N--CA 1.511 2.612 0 O-C-N 121.758 -0.589 . . . . 0.0 110.595 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.462 ' HB ' ' CD1' ' A' ' 32' ' ' PHE . 30.2 m -105.57 -8.67 10.07 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.639 0 O-C-N 121.824 -0.547 . . . . 0.0 111.856 179.307 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 41.29 -96.57 0.02 OUTLIER 'General case' 0 N--CA 1.523 3.207 0 C-N-CA 123.553 0.741 . . . . 0.0 112.605 176.507 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -130.15 50.95 2.14 Favored 'General case' 0 N--CA 1.509 2.515 0 O-C-N 121.147 -0.97 . . . . 0.0 108.688 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.462 ' CD1' ' HB ' ' A' ' 29' ' ' VAL . 0.1 OUTLIER -77.53 -153.61 0.06 Allowed 'General case' 0 N--CA 1.509 2.482 0 O-C-N 121.63 -0.669 . . . . 0.0 110.83 -179.397 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.484 HG13 ' O ' ' A' ' 33' ' ' VAL . 8.1 p -62.58 88.79 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.513 2.709 0 CA-C-O 122.227 1.013 . . . . 0.0 108.742 179.386 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 171.65 -49.08 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.422 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 -177.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.497 1.915 0 CA-C-O 118.668 -0.682 . . . . 0.0 109.866 179.27 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.561 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -59.08 -40.37 85.02 Favored 'General case' 0 N--CA 1.517 2.885 0 O-C-N 122.28 -0.262 . . . . 0.0 110.557 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -88.23 -28.42 5.43 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.401 0 O-C-N 121.819 -0.551 . . . . 0.0 110.247 178.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -69.23 -36.29 77.04 Favored 'General case' 0 N--CA 1.507 2.391 0 O-C-N 121.509 -0.745 . . . . 0.0 111.072 -179.781 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.469 ' HA ' ' HB2' ' A' ' 9' ' ' LEU . 3.1 pp -58.32 -33.72 69.82 Favored 'General case' 0 N--CA 1.514 2.737 0 CA-C-N 118.917 0.781 . . . . 0.0 110.661 179.602 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.83 -36.08 11.81 Favored 'General case' 0 N--CA 1.501 2.123 0 O-C-N 121.729 -0.607 . . . . 0.0 110.355 179.135 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 49.5 t60 -70.99 -63.27 1.13 Allowed 'General case' 0 N--CA 1.506 2.368 0 O-C-N 121.615 -0.678 . . . . 0.0 110.014 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.414 ' ND2' ' HB3' ' A' ' 24' ' ' LYS . 9.1 t-20 -154.72 99.46 2.15 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.771 -0.581 . . . . 0.0 110.024 -178.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.469 ' HB2' ' HA ' ' A' ' 5' ' ' LEU . 0.2 OUTLIER -128.44 -61.34 1.08 Allowed 'General case' 0 N--CA 1.502 2.136 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 179.88 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.568 ' HA2' HD11 ' A' ' 13' ' ' LEU . . . 173.51 68.74 0.05 OUTLIER Glycine 0 N--CA 1.5 2.935 0 N-CA-C 110.673 -0.971 . . . . 0.0 110.673 179.805 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.635 ' HG3' HD21 ' A' ' 13' ' ' LEU . 0.9 OUTLIER -81.72 90.78 6.37 Favored 'General case' 0 N--CA 1.513 2.719 0 CA-C-N 117.945 0.872 . . . . 0.0 110.587 -179.929 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.648 ' C ' ' HG ' ' A' ' 13' ' ' LEU . 11.0 m80 69.38 -97.69 0.04 OUTLIER 'General case' 0 N--CA 1.521 3.097 0 O-C-N 121.232 -0.917 . . . . 0.0 108.639 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 1.07 HD23 ' HB2' ' A' ' 17' ' ' GLU . 0.1 OUTLIER 54.87 58.27 4.95 Favored 'General case' 0 N--CA 1.533 3.68 0 CA-C-O 123.017 1.389 . . . . 0.0 109.518 175.695 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -84.27 -17.84 38.36 Favored 'General case' 0 C--N 1.277 -2.576 0 CA-C-N 114.112 -1.404 . . . . 0.0 108.436 -178.635 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.45 -48.79 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.904 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 177.588 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.583 ' HA ' ' CG1' ' A' ' 19' ' ' VAL . 7.1 ttp -97.48 -9.26 27.52 Favored 'General case' 0 N--CA 1.502 2.166 0 CA-C-O 119.129 -0.462 . . . . 0.0 112.152 -179.435 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 1.07 ' HB2' HD23 ' A' ' 13' ' ' LEU . 0.3 OUTLIER -95.36 -27.97 15.18 Favored 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 104.773 -2.306 . . . . 0.0 104.773 174.478 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.599 ' HG2' ' N ' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -63.28 -44.69 94.37 Favored 'General case' 0 N--CA 1.497 1.892 0 C-N-CA 125.161 1.384 . . . . 0.0 109.782 177.196 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.599 ' N ' ' HG2' ' A' ' 18' ' ' ARG . 1.5 p -58.82 -45.64 91.38 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.017 0 CA-C-N 114.425 -1.261 . . . . 0.0 109.784 -177.489 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -78.76 -34.01 46.01 Favored 'General case' 0 N--CA 1.512 2.654 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 177.01 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.701 ' HB2' HD22 ' A' ' 13' ' ' LEU . 23.2 t90 -57.95 -42.59 85.26 Favored 'General case' 0 N--CA 1.5 2.043 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 177.322 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.497 ' HA ' ' HB2' ' A' ' 25' ' ' LYS . 1.9 mm? -61.2 -36.82 80.94 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.934 -177.742 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.1 mtm-85 -57.25 -52.93 63.33 Favored 'General case' 0 N--CA 1.502 2.143 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 177.482 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.414 ' HB3' ' ND2' ' A' ' 8' ' ' ASN . 0.3 OUTLIER -65.96 -39.38 90.37 Favored 'General case' 0 N--CA 1.502 2.154 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 178.338 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.497 ' HB2' ' HA ' ' A' ' 22' ' ' LEU . 0.1 OUTLIER -55.64 -39.28 70.65 Favored 'General case' 0 N--CA 1.513 2.694 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 177.925 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.4 tp -62.13 -42.63 99.43 Favored 'General case' 0 N--CA 1.5 2.067 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 177.519 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.499 ' HA ' ' HB2' ' A' ' 31' ' ' ASN . 19.2 mt-30 -65.72 -31.36 72.31 Favored 'General case' 0 N--CA 1.505 2.318 0 O-C-N 121.892 -0.505 . . . . 0.0 110.369 178.381 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -61.72 -19.79 62.79 Favored 'General case' 0 N--CA 1.511 2.578 0 O-C-N 121.687 -0.633 . . . . 0.0 111.501 179.645 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 48.2 t -131.03 -56.16 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.506 2.347 0 O-C-N 121.211 -0.93 . . . . 0.0 110.063 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 80.7 m80 -62.94 -52.91 61.21 Favored 'General case' 0 N--CA 1.516 2.841 0 O-C-N 121.913 -0.492 . . . . 0.0 110.133 -179.537 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.499 ' HB2' ' HA ' ' A' ' 27' ' ' GLN . 8.4 m120 -96.13 48.45 1.11 Allowed 'General case' 0 N--CA 1.508 2.467 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 178.63 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -95.64 -150.48 0.32 Allowed 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 119.57 -0.852 . . . . 0.0 110.478 179.498 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 9.6 t 55.62 39.61 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.517 2.914 0 N-CA-C 103.744 -2.688 . . . . 0.0 103.744 -172.542 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -139.5 -56.78 0.58 Allowed 'General case' 0 N--CA 1.483 1.204 0 CA-C-N 114.652 -1.158 . . . . 0.0 109.718 -173.473 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.502 2.175 0 CA-C-O 118.752 -0.642 . . . . 0.0 109.601 179.685 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.569 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.35 -45.02 85.83 Favored 'General case' 0 N--CA 1.511 2.603 0 O-C-N 122.119 -0.363 . . . . 0.0 110.651 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 37.1 mm 77.69 -60.04 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.519 2.981 0 C-N-CA 123.189 0.596 . . . . 0.0 109.499 -179.289 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -60.11 -39.63 86.9 Favored 'General case' 0 N--CA 1.511 2.589 0 O-C-N 121.688 -0.632 . . . . 0.0 110.128 179.243 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.444 HD22 ' HA ' ' A' ' 5' ' ' LEU . 0.2 OUTLIER -62.88 -48.24 79.84 Favored 'General case' 0 N--CA 1.508 2.431 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 178.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 1.3 mtt -65.98 -34.42 78.06 Favored 'General case' 0 N--CA 1.508 2.452 0 O-C-N 122.082 -0.386 . . . . 0.0 110.288 179.029 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 7.9 m80 -64.96 -51.29 62.6 Favored 'General case' 0 N--CA 1.506 2.337 0 O-C-N 121.835 -0.541 . . . . 0.0 110.485 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -70.21 -26.96 64.12 Favored 'General case' 0 N--CA 1.51 2.563 0 O-C-N 121.653 -0.654 . . . . 0.0 110.683 179.322 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.464 HD22 ' HA ' ' A' ' 9' ' ' LEU . 0.4 OUTLIER -76.93 106.0 8.34 Favored 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 106.853 -1.536 . . . . 0.0 106.853 178.434 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.57 ' HA2' HD21 ' A' ' 13' ' ' LEU . . . 86.6 39.15 7.81 Favored Glycine 0 N--CA 1.491 2.326 0 N-CA-C 109.569 -1.412 . . . . 0.0 109.569 -177.616 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.2 ttpp -106.17 23.69 13.67 Favored 'General case' 0 N--CA 1.508 2.429 0 O-C-N 121.693 -0.887 . . . . 0.0 110.75 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 9.4 p-80 -154.38 61.28 0.69 Allowed 'General case' 0 N--CA 1.507 2.38 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.809 ' HA ' ' CG ' ' A' ' 17' ' ' GLU . 0.1 OUTLIER -129.36 -58.02 1.13 Allowed 'General case' 0 N--CA 1.504 2.261 0 CA-C-N 115.369 -0.832 . . . . 0.0 109.429 -177.484 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 69.17 -54.63 0.57 Allowed 'General case' 0 N--CA 1.498 1.929 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.837 175.583 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.598 ' HA ' ' HG2' ' A' ' 18' ' ' ARG . 0.6 OUTLIER -154.18 -38.68 0.09 Allowed 'General case' 0 N--CA 1.505 2.294 0 CA-C-N 119.796 1.18 . . . . 0.0 113.317 -179.743 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.468 ' HA ' ' CG1' ' A' ' 19' ' ' VAL . 1.2 ptp -104.76 -10.71 17.24 Favored 'General case' 0 N--CA 1.508 2.454 0 CA-C-N 119.52 1.055 . . . . 0.0 111.585 -179.476 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.809 ' CG ' ' HA ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -98.1 -23.65 15.65 Favored 'General case' 0 N--CA 1.506 2.327 0 N-CA-C 105.594 -2.002 . . . . 0.0 105.594 174.197 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.605 ' N ' ' HB3' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -70.67 -36.24 73.23 Favored 'General case' 0 N--CA 1.501 2.077 0 C-N-CA 123.986 0.914 . . . . 0.0 110.492 177.867 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.468 ' CG1' ' HA ' ' A' ' 16' ' ' MET . 0.9 OUTLIER -61.09 -45.12 99.2 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.865 0 CA-C-N 115.372 -0.831 . . . . 0.0 108.812 -178.467 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -77.17 -35.17 56.18 Favored 'General case' 0 N--CA 1.508 2.441 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 176.176 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 20.7 t90 -58.59 -41.81 86.64 Favored 'General case' 0 N--CA 1.493 1.709 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 177.474 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.423 ' HG ' ' N ' ' A' ' 23' ' ' ARG . 0.1 OUTLIER -64.64 -41.56 96.05 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 -177.787 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.423 ' N ' ' HG ' ' A' ' 22' ' ' LEU . 6.7 ttp180 -64.37 -43.64 93.88 Favored 'General case' 0 N--CA 1.497 1.887 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 177.532 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.54 -44.9 85.44 Favored 'General case' 0 N--CA 1.5 2.067 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 178.237 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.18 -37.69 72.51 Favored 'General case' 0 N--CA 1.51 2.563 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 178.786 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.0 tt -61.76 -34.49 75.95 Favored 'General case' 0 N--CA 1.508 2.456 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 178.093 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -85.59 -35.34 21.08 Favored 'General case' 0 N--CA 1.503 2.223 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 178.626 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -59.06 -53.95 52.56 Favored 'General case' 0 N--CA 1.514 2.752 0 N-CA-C 106.652 -1.61 . . . . 0.0 106.652 177.725 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.412 ' O ' ' HB2' ' A' ' 30' ' ' HIS . 57.2 t -75.32 159.15 5.53 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.935 0 N-CA-C 105.224 -2.139 . . . . 0.0 105.224 174.477 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.412 ' HB2' ' O ' ' A' ' 29' ' ' VAL . 49.9 m80 76.12 -64.54 0.35 Allowed 'General case' 0 N--CA 1.522 3.17 0 CA-C-N 119.383 0.992 . . . . 0.0 108.836 -178.48 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.628 ' HB3' HD22 ' A' ' 35' ' ' LEU . 15.5 m-20 -104.41 73.0 1.08 Allowed 'General case' 0 N--CA 1.501 2.121 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 179.495 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -107.12 -114.8 0.27 Allowed 'General case' 0 N--CA 1.512 2.653 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.7 m -91.31 35.86 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.512 2.668 0 CA-C-N 120.344 1.429 . . . . 0.0 110.018 178.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -140.71 35.36 1.8 Allowed 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.32 -0.862 . . . . 0.0 109.557 179.464 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.628 HD22 ' HB3' ' A' ' 31' ' ' ASN . 3.2 tp . . . . . 0 N--CA 1.502 2.129 0 CA-C-O 117.583 -1.198 . . . . 0.0 109.994 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.748 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.46 ' HG3' ' HB3' ' A' ' 8' ' ' ASN . 1.4 mp0 -81.37 -5.61 58.04 Favored 'General case' 0 N--CA 1.511 2.614 0 N-CA-C 112.554 0.576 . . . . 0.0 112.554 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 28.7 mm -104.66 -38.31 4.75 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.598 0 O-C-N 120.924 -1.11 . . . . 0.0 111.318 -178.638 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.482 ' HG2' ' HB3' ' A' ' 7' ' ' HIS . 2.3 pm0 -56.84 96.93 0.02 OUTLIER 'General case' 0 N--CA 1.524 3.272 0 CA-C-N 119.291 0.95 . . . . 0.0 109.249 179.772 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' A' ' 4' ' ' GLN . 0.4 OUTLIER 48.4 31.2 2.65 Favored 'General case' 0 N--CA 1.524 3.255 0 C-N-CA 123.27 0.628 . . . . 0.0 110.35 -176.361 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 53.7 45.71 27.42 Favored 'General case' 0 N--CA 1.51 2.554 0 CA-C-O 123.202 1.477 . . . . 0.0 108.67 -176.808 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.482 ' HB3' ' HG2' ' A' ' 4' ' ' GLN . 39.8 t60 -54.5 -50.05 68.73 Favored 'General case' 0 N--CA 1.496 1.87 0 CA-C-N 114.362 -1.29 . . . . 0.0 110.859 -178.806 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.49 ' HA ' ' HB3' ' A' ' 12' ' ' HIS . 0.7 OUTLIER -94.06 45.13 1.13 Allowed 'General case' 0 N--CA 1.503 2.212 0 CA-C-N 118.857 0.753 . . . . 0.0 110.76 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.5 mp -128.81 -53.72 1.23 Allowed 'General case' 0 N--CA 1.502 2.166 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 178.26 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -118.9 -45.96 0.44 Allowed Glycine 0 N--CA 1.504 3.172 0 N-CA-C 109.778 -1.329 . . . . 0.0 109.778 179.048 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.4 tptt -68.73 -28.59 66.96 Favored 'General case' 0 N--CA 1.511 2.617 0 CA-C-N 117.987 0.893 . . . . 0.0 110.948 179.488 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.49 ' HB3' ' HA ' ' A' ' 8' ' ' ASN . 18.8 t-160 -139.55 126.67 21.14 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 107.57 -1.27 . . . . 0.0 107.57 178.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.693 HD21 ' HB3' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -168.99 -126.11 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.425 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.096 -176.15 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -139.66 -57.07 0.57 Allowed 'General case' 0 N--CA 1.511 2.586 0 CA-C-N 119.963 1.256 . . . . 0.0 110.918 -177.059 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.515 ' CA ' ' HG3' ' A' ' 18' ' ' ARG . 59.3 p -174.02 -60.94 0.02 OUTLIER 'General case' 0 N--CA 1.517 2.894 0 CA-C-N 119.575 1.079 . . . . 0.0 112.494 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -77.77 -19.06 55.76 Favored 'General case' 0 N--CA 1.506 2.364 0 CA-C-N 119.502 1.046 . . . . 0.0 108.425 178.355 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.423 ' HB2' ' HB2' ' A' ' 13' ' ' LEU . 12.7 mm-40 -72.73 -31.2 64.78 Favored 'General case' 0 N--CA 1.507 2.379 0 N-CA-C 106.071 -1.826 . . . . 0.0 106.071 173.502 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.746 ' HB2' ' CD1' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -90.82 -91.27 0.15 Allowed 'General case' 0 C--O 1.204 -1.313 0 CA-C-O 117.545 -1.217 . . . . 0.0 109.85 179.59 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.441 HG12 ' O ' ' A' ' 15' ' ' SER . 0.1 OUTLIER 47.68 -68.14 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.51 2.542 0 C-N-CA 125.59 1.556 . . . . 0.0 111.352 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.503 ' N ' ' O ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -61.34 -33.59 73.88 Favored 'General case' 0 N--CA 1.501 2.088 0 N-CA-C 106.757 -1.572 . . . . 0.0 106.757 174.342 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.746 ' CD1' ' HB2' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -50.89 -45.52 60.22 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.937 0.895 . . . . 0.0 109.262 175.837 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.488 ' N ' ' CD1' ' A' ' 21' ' ' TRP . 0.2 OUTLIER -67.12 -38.93 86.44 Favored 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 114.992 -1.004 . . . . 0.0 110.031 -176.453 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.422 ' N ' ' HG ' ' A' ' 22' ' ' LEU . 1.0 OUTLIER -67.56 -42.57 82.41 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 178.412 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.57 -32.66 66.2 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.695 -0.628 . . . . 0.0 109.383 178.103 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.424 ' HE2' ' CH2' ' A' ' 21' ' ' TRP . 0.1 OUTLIER -50.48 -40.02 49.84 Favored 'General case' 0 N--CA 1.514 2.731 0 C-N-CA 122.702 0.401 . . . . 0.0 110.852 179.401 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.6 mt -55.87 -36.11 67.24 Favored 'General case' 0 N--CA 1.514 2.767 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 178.706 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -83.8 -36.51 23.48 Favored 'General case' 0 N--CA 1.503 2.192 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 178.365 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -59.54 -42.6 92.7 Favored 'General case' 0 N--CA 1.509 2.522 0 O-C-N 121.957 -0.464 . . . . 0.0 111.596 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.686 ' HB ' ' HB3' ' A' ' 32' ' ' PHE . 0.1 OUTLIER -130.48 25.96 1.7 Allowed 'Isoleucine or valine' 0 N--CA 1.511 2.582 0 O-C-N 121.571 -0.706 . . . . 0.0 112.464 -178.125 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 46.43 -91.13 0.02 OUTLIER 'General case' 0 N--CA 1.523 3.22 0 C-N-CA 123.907 0.883 . . . . 0.0 112.582 176.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -94.13 -54.9 3.39 Favored 'General case' 0 N--CA 1.501 2.081 0 CA-C-N 119.362 0.983 . . . . 0.0 110.434 -179.642 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.686 ' HB3' ' HB ' ' A' ' 29' ' ' VAL . 8.5 p90 26.77 37.94 0.0 OUTLIER 'General case' 0 N--CA 1.538 3.955 0 N-CA-C 114.887 1.44 . . . . 0.0 114.887 179.117 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.518 HG23 ' HB2' ' A' ' 35' ' ' LEU . 20.6 m 46.96 27.16 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.52 3.067 0 O-C-N 121.825 -0.547 . . . . 0.0 109.554 -176.389 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 43.49 44.5 5.06 Favored 'General case' 0 N--CA 1.489 1.5 0 C-N-CA 124.423 1.089 . . . . 0.0 111.452 -179.321 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.518 ' HB2' HG23 ' A' ' 33' ' ' VAL . 3.6 tt . . . . . 0 N--CA 1.495 1.813 0 CA-C-O 117.676 -1.154 . . . . 0.0 109.502 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.643 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 67.25 -81.68 0.03 OUTLIER 'General case' 0 N--CA 1.514 2.764 0 C-N-CA 122.793 0.437 . . . . 0.0 110.45 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.48 HG22 ' ND1' ' A' ' 7' ' ' HIS . 8.7 mt 54.56 47.3 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.514 2.74 0 CA-C-O 121.9 0.857 . . . . 0.0 110.195 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -133.19 -69.48 0.55 Allowed 'General case' 0 N--CA 1.503 2.193 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 179.338 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.31 -45.86 65.41 Favored 'General case' 0 N--CA 1.505 2.297 0 N-CA-C 106.883 -1.525 . . . . 0.0 106.883 176.315 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.97 44.14 1.03 Allowed 'General case' 0 N--CA 1.495 1.786 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 177.273 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.48 ' ND1' HG22 ' A' ' 3' ' ' ILE . 37.5 t60 -62.99 -58.97 5.53 Favored 'General case' 0 N--CA 1.509 2.482 0 O-C-N 121.375 -0.828 . . . . 0.0 109.085 179.751 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 17.4 t30 -161.08 96.48 1.1 Allowed 'General case' 0 N--CA 1.497 1.888 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 178.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 20.2 mt -111.45 70.17 0.71 Allowed 'General case' 0 N--CA 1.498 1.945 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 -178.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.43 ' CA ' HD22 ' A' ' 13' ' ' LEU . . . 58.85 50.02 71.87 Favored Glycine 0 N--CA 1.499 2.849 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.7 mttt -74.8 73.58 2.09 Favored 'General case' 0 N--CA 1.512 2.673 0 CA-C-N 118.827 1.313 . . . . 0.0 108.31 179.182 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.585 ' C ' HD23 ' A' ' 13' ' ' LEU . 5.5 t-160 78.05 -23.71 0.24 Allowed 'General case' 0 N--CA 1.512 2.644 0 C-N-CA 124.029 0.931 . . . . 0.0 111.844 -177.21 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.713 ' HG ' ' HB3' ' A' ' 18' ' ' ARG . 0.2 OUTLIER 43.3 -97.67 0.02 OUTLIER 'General case' 0 N--CA 1.509 2.501 0 CA-C-N 119.07 0.85 . . . . 0.0 111.238 178.776 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -142.03 30.64 1.61 Allowed 'General case' 0 N--CA 1.515 2.778 0 CA-C-N 120.664 1.575 . . . . 0.0 111.707 178.243 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.516 ' O ' ' HG3' ' A' ' 18' ' ' ARG . 1.6 m 66.63 -56.87 0.4 Allowed 'General case' 0 N--CA 1.521 3.077 0 N-CA-C 113.512 0.93 . . . . 0.0 113.512 177.749 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 7.6 mtp -79.58 -15.3 57.92 Favored 'General case' 0 N--CA 1.517 2.911 0 CA-C-N 120.372 1.442 . . . . 0.0 110.05 179.114 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.436 ' HB3' HD12 ' A' ' 13' ' ' LEU . 9.4 tp10 -92.12 -28.52 17.05 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 106.671 -1.603 . . . . 0.0 106.671 174.493 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.862 ' HA ' ' HB3' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -83.59 -28.67 28.37 Favored 'General case' 0 C--O 1.191 -1.996 0 CA-C-O 122.963 1.363 . . . . 0.0 113.277 -179.86 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.408 ' H ' HG12 ' A' ' 19' ' ' VAL . 0.2 OUTLIER -44.53 -43.05 2.27 Favored 'Isoleucine or valine' 0 C--N 1.254 -3.56 0 O-C-N 120.112 -1.617 . . . . 0.0 110.373 -178.018 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -76.98 -35.22 57.35 Favored 'General case' 0 N--CA 1.526 3.327 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 175.334 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.862 ' HB3' ' HA ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -50.07 -45.86 52.81 Favored 'General case' 0 N--CA 1.509 2.483 0 C-N-CA 125.072 1.349 . . . . 0.0 109.043 175.56 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.449 ' N ' ' CD1' ' A' ' 21' ' ' TRP . 6.0 mt -56.97 -41.33 78.15 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.402 -176.037 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.9 -39.15 64.08 Favored 'General case' 0 N--CA 1.493 1.711 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.061 178.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.534 ' O ' ' HG3' ' A' ' 27' ' ' GLN . 11.7 tptp -76.53 -51.67 11.24 Favored 'General case' 0 N--CA 1.51 2.555 0 O-C-N 121.686 -0.634 . . . . 0.0 111.112 -179.038 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.513 ' O ' HG23 ' A' ' 29' ' ' VAL . 1.6 pptp? -65.69 -27.7 68.53 Favored 'General case' 0 N--CA 1.506 2.341 0 O-C-N 121.05 -1.031 . . . . 0.0 110.623 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 47.5 tp -66.6 -53.46 34.16 Favored 'General case' 0 N--CA 1.507 2.413 0 O-C-N 121.415 -0.803 . . . . 0.0 109.077 178.536 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.534 ' HG3' ' O ' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -62.89 -31.69 72.8 Favored 'General case' 0 N--CA 1.509 2.522 0 O-C-N 121.865 -0.522 . . . . 0.0 109.754 178.735 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -68.71 -39.05 80.63 Favored 'General case' 0 N--CA 1.506 2.338 0 O-C-N 121.628 -0.67 . . . . 0.0 109.238 177.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 25' ' ' LYS . 42.4 t -60.01 -38.35 76.34 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.653 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 178.168 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -63.13 -39.94 96.15 Favored 'General case' 0 N--CA 1.513 2.687 0 N-CA-C 108.76 -0.829 . . . . 0.0 108.76 178.318 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 40.4 m-80 -98.09 36.32 1.59 Allowed 'General case' 0 N--CA 1.507 2.377 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 177.362 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.414 ' HB2' ' HA ' ' A' ' 29' ' ' VAL . 0.3 OUTLIER -100.84 -147.99 0.36 Allowed 'General case' 0 N--CA 1.482 1.158 0 O-C-N 121.432 -0.793 . . . . 0.0 110.029 178.972 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.5 t 55.01 38.19 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.519 3.0 0 N-CA-C 104.395 -2.446 . . . . 0.0 104.395 -173.157 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -134.93 -55.29 0.82 Allowed 'General case' 0 N--CA 1.483 1.188 0 CA-C-N 114.85 -1.068 . . . . 0.0 109.525 -174.458 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.3 tt . . . . . 0 N--CA 1.501 2.12 0 CA-C-O 118.726 -0.654 . . . . 0.0 109.581 179.205 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.486 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.582 ' HG3' ' HA ' ' A' ' 14' ' ' ASN . 28.7 mm-40 -91.97 65.32 4.83 Favored 'General case' 0 N--CA 1.506 2.346 0 CA-C-O 121.552 0.691 . . . . 0.0 109.313 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 11.3 mt -130.65 -74.25 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.503 2.207 0 O-C-N 121.516 -0.74 . . . . 0.0 109.176 -179.395 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 52.6 48.4 22.62 Favored 'General case' 0 N--CA 1.521 3.095 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 -178.479 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 56.42 55.27 6.71 Favored 'General case' 0 N--CA 1.504 2.261 0 N-CA-C 107.266 -1.383 . . . . 0.0 107.266 -175.464 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 15.5 ptt? 37.84 48.49 1.01 Allowed 'General case' 0 N--CA 1.512 2.669 0 CA-C-N 113.766 -1.561 . . . . 0.0 111.639 -177.292 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 13.1 t60 -97.14 98.93 10.45 Favored 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 56.77 -143.53 0.7 Allowed 'General case' 0 N--CA 1.512 2.635 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 -179.078 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 19.2 mt 67.08 176.68 0.24 Allowed 'General case' 0 N--CA 1.509 2.484 0 CA-C-N 119.903 1.229 . . . . 0.0 108.41 -178.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.453 ' HA3' ' HG ' ' A' ' 13' ' ' LEU . . . -76.14 89.17 0.89 Allowed Glycine 0 N--CA 1.48 1.595 0 N-CA-C 107.352 -2.299 . . . . 0.0 107.352 178.754 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.12 -42.83 1.51 Allowed 'General case' 0 N--CA 1.52 3.026 0 C-N-CA 122.72 0.408 . . . . 0.0 111.7 -178.247 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.607 ' C ' HD23 ' A' ' 13' ' ' LEU . 4.5 m-70 -123.31 37.91 4.31 Favored 'General case' 0 N--CA 1.506 2.336 0 O-C-N 121.855 -0.528 . . . . 0.0 110.064 179.325 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 1.049 HD12 ' HB2' ' A' ' 17' ' ' GLU . 0.4 OUTLIER -172.0 -119.12 0.01 OUTLIER 'General case' 0 N--CA 1.504 2.265 0 O-C-N 121.421 -0.799 . . . . 0.0 110.909 -178.724 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.59 ' HB2' ' HG2' ' A' ' 17' ' ' GLU . 0.9 OUTLIER -139.01 -172.98 3.45 Favored 'General case' 0 N--CA 1.505 2.301 0 O-C-N 120.941 -1.099 . . . . 0.0 109.524 -177.051 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.3 -58.29 3.37 Favored 'General case' 0 N--CA 1.517 2.893 0 O-C-N 121.004 -1.06 . . . . 0.0 111.992 -178.173 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.568 ' HA ' ' CG1' ' A' ' 19' ' ' VAL . 1.2 ttt -71.62 -4.11 25.32 Favored 'General case' 0 N--CA 1.511 2.594 0 CA-C-N 119.094 0.861 . . . . 0.0 111.343 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 1.049 ' HB2' HD12 ' A' ' 13' ' ' LEU . 9.0 mm-40 -95.84 -28.8 14.55 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 106.024 -1.843 . . . . 0.0 106.024 174.648 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.52 ' HG2' ' N ' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -64.07 -38.16 90.05 Favored 'General case' 0 N--CA 1.504 2.27 0 CA-C-O 121.985 0.898 . . . . 0.0 109.767 177.64 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.568 ' CG1' ' HA ' ' A' ' 16' ' ' MET . 0.5 OUTLIER -63.64 -47.26 92.06 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.719 0 CA-C-N 114.568 -1.196 . . . . 0.0 108.993 -177.549 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -74.73 -31.45 61.83 Favored 'General case' 0 N--CA 1.513 2.692 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 175.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.446 ' HB3' ' HA ' ' A' ' 18' ' ' ARG . 23.3 t90 -63.07 -38.47 91.33 Favored 'General case' 0 N--CA 1.497 1.88 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 177.259 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 19' ' ' VAL . 0.2 OUTLIER -62.71 -35.82 80.96 Favored 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 -178.184 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.9 -37.53 81.84 Favored 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 177.296 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.29 -11.89 53.68 Favored 'General case' 0 N--CA 1.503 2.224 0 O-C-N 121.785 -0.572 . . . . 0.0 111.096 178.147 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.38 -35.24 67.49 Favored 'General case' 0 N--CA 1.513 2.684 0 CA-C-N 119.315 0.961 . . . . 0.0 110.658 -179.664 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.5 tp -60.35 -38.1 82.76 Favored 'General case' 0 N--CA 1.507 2.418 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 177.449 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 49.2 mm-40 -80.75 -29.83 36.22 Favored 'General case' 0 N--CA 1.504 2.225 0 O-C-N 121.819 -0.551 . . . . 0.0 109.983 178.206 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -58.34 -51.18 70.86 Favored 'General case' 0 N--CA 1.512 2.653 0 N-CA-C 106.941 -1.503 . . . . 0.0 106.941 177.544 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.411 ' O ' ' HB2' ' A' ' 30' ' ' HIS . 9.4 t -83.72 170.95 1.28 Allowed 'Isoleucine or valine' 0 N--CA 1.505 2.321 0 N-CA-C 106.301 -1.74 . . . . 0.0 106.301 175.55 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.411 ' HB2' ' O ' ' A' ' 29' ' ' VAL . 65.3 m80 76.22 -56.94 0.57 Allowed 'General case' 0 N--CA 1.526 3.341 0 O-C-N 121.053 -1.029 . . . . 0.0 110.285 -179.666 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 33.6 m-80 -87.85 -72.86 0.51 Allowed 'General case' 0 N--CA 1.499 1.986 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 179.38 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.476 ' O ' HG22 ' A' ' 33' ' ' VAL . 45.9 p90 38.77 33.89 0.08 Allowed 'General case' 0 N--CA 1.533 3.676 0 CA-C-N 118.75 0.704 . . . . 0.0 112.871 179.381 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.476 HG22 ' O ' ' A' ' 32' ' ' PHE . 10.6 m 49.71 25.11 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.521 3.083 0 C-N-CA 123.239 0.615 . . . . 0.0 109.821 -176.83 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.449 ' HA ' ' CE2' ' A' ' 32' ' ' PHE . . . 44.98 41.12 5.04 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 123.939 0.896 . . . . 0.0 111.232 -179.546 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.1 tp . . . . . 0 N--CA 1.495 1.804 0 CA-C-O 117.61 -1.186 . . . . 0.0 109.966 179.886 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.558 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -139.62 -48.78 0.47 Allowed 'General case' 0 N--CA 1.509 2.519 0 O-C-N 122.143 -0.348 . . . . 0.0 111.06 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.0 mt 57.98 27.66 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.517 2.905 0 O-C-N 121.723 -0.611 . . . . 0.0 110.381 -179.01 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -83.42 -57.43 3.25 Favored 'General case' 0 N--CA 1.498 1.964 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 178.655 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.6 pp -68.92 -29.8 68.13 Favored 'General case' 0 N--CA 1.508 2.46 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 177.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -73.4 -47.38 42.43 Favored 'General case' 0 N--CA 1.503 2.219 0 O-C-N 121.741 -0.599 . . . . 0.0 110.125 179.601 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 56.9 t-80 -78.31 -59.33 2.82 Favored 'General case' 0 N--CA 1.504 2.266 0 O-C-N 121.679 -0.638 . . . . 0.0 109.642 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -74.19 83.72 1.85 Allowed 'General case' 0 N--CA 1.503 2.19 0 CA-C-O 121.621 0.724 . . . . 0.0 110.64 -179.411 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -119.38 96.3 5.15 Favored 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 107.603 -1.258 . . . . 0.0 107.603 178.809 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.659 ' HA3' ' HB2' ' A' ' 21' ' ' TRP . . . 98.25 -78.52 0.59 Allowed Glycine 0 N--CA 1.492 2.417 0 N-CA-C 108.497 -1.841 . . . . 0.0 108.497 -178.089 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.4 mmpt? 70.42 -50.54 0.66 Allowed 'General case' 0 N--CA 1.524 3.264 0 C-N-CA 123.537 0.735 . . . . 0.0 112.27 179.325 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -175.4 112.81 0.13 Allowed 'General case' 0 N--CA 1.512 2.663 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 -179.607 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.784 HD11 ' CA ' ' A' ' 18' ' ' ARG . 2.3 pt? -160.22 -140.41 0.07 Allowed 'General case' 0 N--CA 1.502 2.132 0 O-C-N 121.254 -0.903 . . . . 0.0 111.659 -178.417 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -118.47 -96.27 0.47 Allowed 'General case' 0 N--CA 1.51 2.551 0 O-C-N 121.013 -1.054 . . . . 0.0 110.596 -177.58 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.617 ' HA ' ' CG ' ' A' ' 18' ' ' ARG . 6.1 m -154.34 144.03 21.62 Favored 'General case' 0 N--CA 1.511 2.607 0 CA-C-N 119.891 1.223 . . . . 0.0 109.905 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 13.4 ttp 79.66 -42.75 0.27 Allowed 'General case' 0 N--CA 1.521 3.118 0 C-N-CA 123.57 0.748 . . . . 0.0 109.299 -178.014 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.659 ' HB2' HD12 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -70.79 -20.34 62.61 Favored 'General case' 0 N--CA 1.499 2.002 0 N-CA-C 104.632 -2.359 . . . . 0.0 104.632 171.343 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.884 ' HB2' ' CD1' ' A' ' 21' ' ' TRP . 0.8 OUTLIER -97.6 -92.58 0.24 Allowed 'General case' 0 C--O 1.202 -1.426 0 CA-C-O 117.591 -1.195 . . . . 0.0 110.015 179.119 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.4 ' H ' ' CG ' ' A' ' 18' ' ' ARG . 0.2 OUTLIER 43.81 -66.67 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.511 2.598 0 C-N-CA 126.576 1.95 . . . . 0.0 112.777 179.287 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 18' ' ' ARG . 3.8 mm-40 -60.97 -29.31 69.58 Favored 'General case' 0 N--CA 1.512 2.655 0 N-CA-C 106.614 -1.624 . . . . 0.0 106.614 173.823 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.884 ' CD1' ' HB2' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -54.29 -44.19 71.71 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 124.633 1.173 . . . . 0.0 109.496 176.107 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.505 ' HG ' ' CD1' ' A' ' 21' ' ' TRP . 6.2 mt -62.88 -42.05 99.62 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.435 -177.693 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.9 ttp180 -66.24 -41.42 90.03 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 177.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.35 -21.6 55.91 Favored 'General case' 0 N--CA 1.506 2.338 0 O-C-N 121.819 -0.551 . . . . 0.0 111.39 179.014 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -56.88 -37.85 71.94 Favored 'General case' 0 N--CA 1.514 2.749 0 CA-C-N 118.9 0.773 . . . . 0.0 110.206 179.622 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 25.8 mt -62.62 -38.8 91.63 Favored 'General case' 0 N--CA 1.513 2.678 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 177.485 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -81.67 -4.72 56.93 Favored 'General case' 0 N--CA 1.505 2.303 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.291 179.216 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -110.26 -7.14 14.88 Favored 'General case' 0 N--CA 1.508 2.43 0 O-C-N 121.356 -0.84 . . . . 0.0 111.189 179.242 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 71.3 t -123.45 -66.62 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.256 0 O-C-N 121.118 -0.989 . . . . 0.0 110.431 -178.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER 44.06 -92.19 0.02 OUTLIER 'General case' 0 N--CA 1.534 3.727 0 C-N-CA 123.682 0.793 . . . . 0.0 111.631 179.019 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -96.75 50.94 1.13 Allowed 'General case' 0 N--CA 1.506 2.346 0 O-C-N 121.294 -0.879 . . . . 0.0 109.321 178.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -95.71 -153.04 0.39 Allowed 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 119.216 -0.993 . . . . 0.0 110.031 178.451 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 10.9 t 56.57 39.25 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.516 2.872 0 N-CA-C 104.102 -2.555 . . . . 0.0 104.102 -172.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -135.66 -55.97 0.78 Allowed 'General case' 0 N--CA 1.484 1.248 0 CA-C-N 114.788 -1.097 . . . . 0.0 109.526 -174.347 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.7 tt . . . . . 0 N--CA 1.502 2.129 0 CA-C-O 117.681 -1.152 . . . . 0.0 109.511 179.273 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.554 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -97.68 -57.94 2.12 Favored 'General case' 0 N--CA 1.505 2.28 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.1 pt -65.36 149.45 11.4 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.587 0 O-C-N 121.518 -0.739 . . . . 0.0 109.545 179.228 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.43 ' HG2' ' HD3' ' A' ' 24' ' ' LYS . 20.7 mt-30 72.8 -60.06 0.55 Allowed 'General case' 0 N--CA 1.521 3.12 0 C-N-CA 123.007 0.523 . . . . 0.0 110.378 -179.314 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.3 tp -58.76 -50.37 74.17 Favored 'General case' 0 N--CA 1.51 2.534 0 O-C-N 121.67 -0.644 . . . . 0.0 110.357 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 13.5 mmt -60.1 -36.89 78.44 Favored 'General case' 0 N--CA 1.513 2.675 0 O-C-N 122.047 -0.408 . . . . 0.0 110.202 179.328 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 63.2 m80 -64.21 -53.11 54.32 Favored 'General case' 0 N--CA 1.51 2.525 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 178.457 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.443 ' HA ' ' HZ3' ' A' ' 21' ' ' TRP . 33.8 m-80 -61.24 -30.87 70.72 Favored 'General case' 0 N--CA 1.511 2.582 0 O-C-N 122.244 -0.285 . . . . 0.0 110.488 178.453 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.16 -39.75 87.5 Favored 'General case' 0 N--CA 1.509 2.521 0 O-C-N 121.833 -0.542 . . . . 0.0 109.791 178.289 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -62.86 -28.5 71.95 Favored Glycine 0 N--CA 1.506 3.329 0 N-CA-C 111.323 -0.711 . . . . 0.0 111.323 179.159 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.9 mttt 59.55 55.63 4.01 Favored 'General case' 0 N--CA 1.514 2.739 0 CA-C-N 118.544 1.172 . . . . 0.0 109.691 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.568 ' C ' HD23 ' A' ' 13' ' ' LEU . 0.1 OUTLIER 85.24 -17.39 0.43 Allowed 'General case' 0 N--CA 1.516 2.849 0 C-N-CA 124.143 0.977 . . . . 0.0 111.331 -178.376 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.748 HD11 ' CA ' ' A' ' 18' ' ' ARG . 0.7 OUTLIER 39.31 -108.57 0.08 Allowed 'General case' 0 N--CA 1.501 2.099 0 C-N-CA 123.637 0.775 . . . . 0.0 112.456 177.557 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -128.12 -83.03 0.59 Allowed 'General case' 0 N--CA 1.503 2.194 0 CA-C-N 120.697 1.589 . . . . 0.0 109.681 -178.573 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.545 ' HA ' ' CG ' ' A' ' 18' ' ' ARG . 0.5 OUTLIER -167.7 -51.06 0.02 OUTLIER 'General case' 0 N--CA 1.516 2.867 0 CA-C-N 120.426 1.466 . . . . 0.0 112.709 179.058 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.82 -19.85 26.9 Favored 'General case' 0 N--CA 1.516 2.864 0 CA-C-N 119.727 1.149 . . . . 0.0 109.244 178.394 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.601 ' CG ' HD12 ' A' ' 13' ' ' LEU . 1.5 pm0 -82.56 -20.37 36.7 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 106.096 -1.816 . . . . 0.0 106.096 173.331 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.748 ' CA ' HD11 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -92.41 -84.48 0.28 Allowed 'General case' 0 C--O 1.197 -1.662 0 CA-C-O 117.124 -1.417 . . . . 0.0 108.923 177.444 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.424 ' H ' ' CG ' ' A' ' 18' ' ' ARG . 0.2 OUTLIER 35.13 -71.55 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.504 2.27 0 C-N-CA 126.438 1.895 . . . . 0.0 113.2 178.717 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 18' ' ' ARG . 0.9 OUTLIER -56.95 -33.41 66.99 Favored 'General case' 0 N--CA 1.515 2.813 0 N-CA-C 107.182 -1.414 . . . . 0.0 107.182 174.597 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.739 ' CD1' ' HB2' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -50.5 -49.03 56.63 Favored 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 124.976 1.31 . . . . 0.0 109.383 175.519 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.41 ' N ' ' CD1' ' A' ' 21' ' ' TRP . 0.2 OUTLIER -61.24 -38.51 86.91 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 114.742 -1.117 . . . . 0.0 110.95 -175.58 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.402 ' N ' ' HG ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -73.41 -44.27 58.74 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 178.191 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.465 ' HE2' ' HB2' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -65.54 -30.89 71.69 Favored 'General case' 0 N--CA 1.503 2.208 0 O-C-N 122.04 -0.412 . . . . 0.0 110.905 179.623 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.6 mmmt -53.4 -41.87 66.38 Favored 'General case' 0 N--CA 1.512 2.658 0 CA-C-N 118.463 0.574 . . . . 0.0 110.498 179.398 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.4 tp -64.39 -41.71 96.53 Favored 'General case' 0 N--CA 1.507 2.415 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 178.723 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.465 ' HB2' ' HE2' ' A' ' 24' ' ' LYS . 33.7 mt-30 -80.4 -7.82 59.27 Favored 'General case' 0 N--CA 1.51 2.564 0 O-C-N 121.946 -0.471 . . . . 0.0 111.581 179.172 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -106.37 -12.74 15.57 Favored 'General case' 0 N--CA 1.505 2.304 0 O-C-N 121.28 -0.887 . . . . 0.0 111.289 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.503 ' HA ' ' HB2' ' A' ' 32' ' ' PHE . 92.6 t -120.78 -67.63 1.07 Allowed 'Isoleucine or valine' 0 N--CA 1.505 2.29 0 O-C-N 121.275 -0.891 . . . . 0.0 109.929 -179.565 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 9.0 p-80 35.7 69.57 0.18 Allowed 'General case' 0 N--CA 1.534 3.738 0 CA-C-N 118.65 0.659 . . . . 0.0 111.453 178.219 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 76.86 27.95 0.7 Allowed 'General case' 0 N--CA 1.522 3.143 0 CA-C-O 121.395 0.617 . . . . 0.0 110.2 -178.662 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.503 ' HB2' ' HA ' ' A' ' 29' ' ' VAL . 0.3 OUTLIER -76.56 -0.09 21.96 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.347 -1.471 . . . . 0.0 113.057 178.227 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.8 m -57.16 -27.98 28.75 Favored 'Isoleucine or valine' 0 N--CA 1.516 2.86 0 N-CA-C 106.694 -1.595 . . . . 0.0 106.694 172.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -37.34 -52.54 1.1 Allowed 'General case' 0 N--CA 1.494 1.759 0 C-N-CA 125.392 1.477 . . . . 0.0 111.959 175.45 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.2 tt . . . . . 0 N--CA 1.501 2.079 0 CA-C-O 117.614 -1.184 . . . . 0.0 109.843 -179.779 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ACE . . . . . 0.41 ' H1 ' ' HA ' ' A' ' 13' ' ' LEU . . . . . . . . 0 C--O 1.222 -0.375 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -160.67 136.52 8.26 Favored 'General case' 0 N--CA 1.504 2.261 0 O-C-N 122.112 -0.368 . . . . 0.0 110.033 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 6.7 pt -145.16 44.36 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.514 2.742 0 O-C-N 121.52 -0.738 . . . . 0.0 110.368 -179.512 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -75.24 84.5 2.41 Favored 'General case' 0 N--CA 1.516 2.864 0 N-CA-C 105.681 -1.97 . . . . 0.0 105.681 177.566 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 61.12 64.17 1.15 Allowed 'General case' 0 N--CA 1.5 2.036 0 N-CA-C 105.46 -2.052 . . . . 0.0 105.46 -173.561 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.484 ' HB2' HD22 ' A' ' 9' ' ' LEU . 0.0 OUTLIER 39.05 51.73 1.95 Allowed 'General case' 0 N--CA 1.515 2.792 0 CA-C-N 112.518 -2.128 . . . . 0.0 111.558 -175.578 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 51.7 t-80 -98.82 116.77 31.81 Favored 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 179.006 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 58.72 45.76 15.31 Favored 'General case' 0 N--CA 1.516 2.854 0 CA-C-O 121.586 0.708 . . . . 0.0 110.043 -179.282 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.59 ' O ' HD22 ' A' ' 13' ' ' LEU . 1.9 pt? -91.33 -12.24 35.59 Favored 'General case' 0 N--CA 1.509 2.496 0 O-C-N 121.617 -0.677 . . . . 0.0 112.347 -179.425 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.489 ' HA2' HD22 ' A' ' 13' ' ' LEU . . . -113.39 47.99 0.99 Allowed Glycine 0 N--CA 1.505 3.233 0 N-CA-C 110.125 -1.19 . . . . 0.0 110.125 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -131.7 57.02 1.79 Allowed 'General case' 0 N--CA 1.507 2.384 0 N-CA-C 107.275 -1.379 . . . . 0.0 107.275 178.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.606 ' C ' HD23 ' A' ' 13' ' ' LEU . 2.5 t-160 87.21 -33.6 0.03 OUTLIER 'General case' 0 N--CA 1.514 2.745 0 C-N-CA 124.365 1.066 . . . . 0.0 110.068 -177.129 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.737 HD12 ' HG3' ' A' ' 17' ' ' GLU . 0.2 OUTLIER 43.52 -102.37 0.05 OUTLIER 'General case' 0 N--CA 1.5 2.031 0 C-N-CA 123.428 0.691 . . . . 0.0 112.549 177.144 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -154.85 -96.49 0.04 OUTLIER 'General case' 0 N--CA 1.507 2.422 0 CA-C-N 120.228 1.376 . . . . 0.0 110.698 -178.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.74 ' HA ' ' HG2' ' A' ' 18' ' ' ARG . 5.1 m -145.23 143.87 30.51 Favored 'General case' 0 N--CA 1.504 2.262 0 CA-C-N 119.627 1.103 . . . . 0.0 110.335 -179.386 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.563 ' HA ' ' CG1' ' A' ' 19' ' ' VAL . 1.2 mtp 76.98 -34.62 0.22 Allowed 'General case' 0 N--CA 1.524 3.239 0 C-N-CA 123.878 0.871 . . . . 0.0 111.078 -179.174 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.737 ' HG3' HD12 ' A' ' 13' ' ' LEU . 1.8 pt-20 -88.05 -27.24 22.12 Favored 'General case' 0 N--CA 1.498 1.944 0 N-CA-C 105.042 -2.207 . . . . 0.0 105.042 173.067 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.74 ' HG2' ' HA ' ' A' ' 15' ' ' SER . 0.6 OUTLIER -69.42 -29.82 67.63 Favored 'General case' 0 N--CA 1.5 2.073 0 C-N-CA 124.26 1.024 . . . . 0.0 112.027 177.389 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.741 ' HA ' HD23 ' A' ' 22' ' ' LEU . 1.2 p -74.75 -47.1 39.51 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.846 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 -176.457 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -68.99 -33.52 73.82 Favored 'General case' 0 N--CA 1.509 2.497 0 N-CA-C 106.975 -1.491 . . . . 0.0 106.975 175.079 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.608 ' CE2' ' HD3' ' A' ' 25' ' ' LYS . 23.5 t90 -60.8 -45.88 92.67 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 176.712 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.741 HD23 ' HA ' ' A' ' 19' ' ' VAL . 0.2 OUTLIER -61.48 -37.67 84.49 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 120.479 -0.488 . . . . 0.0 110.022 -178.187 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.411 ' N ' ' HG ' ' A' ' 22' ' ' LEU . 8.3 ttp180 -65.39 -40.43 93.45 Favored 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 107.309 -1.367 . . . . 0.0 107.309 176.185 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.16 -28.61 69.78 Favored 'General case' 0 N--CA 1.503 2.194 0 O-C-N 122.177 -0.327 . . . . 0.0 110.397 177.416 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.608 ' HD3' ' CE2' ' A' ' 21' ' ' TRP . 0.2 OUTLIER -55.35 -39.55 70.17 Favored 'General case' 0 N--CA 1.517 2.918 0 CA-C-N 118.766 0.712 . . . . 0.0 109.75 179.051 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.0 tt -60.39 -47.96 83.81 Favored 'General case' 0 N--CA 1.507 2.383 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 177.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -62.62 -30.34 71.28 Favored 'General case' 0 N--CA 1.505 2.316 0 O-C-N 122.188 -0.32 . . . . 0.0 110.188 178.299 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -66.96 -48.28 69.02 Favored 'General case' 0 N--CA 1.507 2.382 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 178.467 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.9 t -59.36 -39.47 79.09 Favored 'Isoleucine or valine' 0 N--CA 1.516 2.851 0 O-C-N 121.895 -0.503 . . . . 0.0 109.79 179.045 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 54.4 m80 -72.81 -41.82 64.52 Favored 'General case' 0 N--CA 1.503 2.202 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 179.294 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -136.33 91.32 2.66 Favored 'General case' 0 N--CA 1.501 2.084 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 179.621 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 22.7 p90 -105.91 -148.83 0.41 Allowed 'General case' 0 N--CA 1.515 2.788 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 58.6 t -66.58 90.43 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.511 2.588 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 179.349 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 177.24 -47.68 0.01 OUTLIER 'General case' 0 N--CA 1.508 2.433 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 -178.044 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.2 tp . . . . . 0 N--CA 1.499 1.986 0 CA-C-O 117.713 -1.136 . . . . 0.0 109.617 178.897 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.581 ' HA ' ' HD3' ' A' ' 18' ' ' ARG . 24.2 m . . . . . 0 N--CA 1.534 3.746 0 N-CA-C 114.83 1.419 . . . . 0.0 114.83 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.549 ' HA ' ' CG1' ' A' ' 19' ' ' VAL . 0.2 OUTLIER -81.1 6.55 13.35 Favored 'General case' 0 N--CA 1.517 2.89 0 CA-C-N 119.811 1.187 . . . . 0.0 112.638 -179.69 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -105.33 -34.83 7.73 Favored 'General case' 0 N--CA 1.495 1.818 0 N-CA-C 106.131 -1.803 . . . . 0.0 106.131 175.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.581 ' HD3' ' HA ' ' A' ' 15' ' ' SER . 0.6 OUTLIER -62.51 -44.41 96.43 Favored 'General case' 0 N--CA 1.495 1.81 0 C-N-CA 124.027 0.931 . . . . 0.0 108.545 177.413 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.549 ' CG1' ' HA ' ' A' ' 16' ' ' MET . 1.4 p -50.71 -47.71 28.29 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 CA-C-N 115.219 -0.9 . . . . 0.0 110.428 179.598 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -81.66 -34.68 30.63 Favored 'General case' 0 N--CA 1.514 2.745 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 177.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.432 ' HB3' ' HA ' ' A' ' 18' ' ' ARG . 17.6 t90 -58.08 -38.47 76.44 Favored 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 177.103 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.78 -37.25 78.53 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.032 -177.609 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.6 ttm105 -60.06 -52.2 66.39 Favored 'General case' 0 N--CA 1.495 1.813 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 177.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.55 -39.94 88.79 Favored 'General case' 0 N--CA 1.505 2.299 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 178.495 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.51 -40.21 68.35 Favored 'General case' 0 N--CA 1.512 2.633 0 CA-C-N 118.01 0.368 . . . . 0.0 110.127 179.051 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.5 tp -64.61 -40.77 96.09 Favored 'General case' 0 N--CA 1.504 2.254 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 177.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -68.96 -28.41 66.61 Favored 'General case' 0 N--CA 1.51 2.529 0 O-C-N 121.761 -0.587 . . . . 0.0 110.261 178.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -70.44 -50.55 37.11 Favored 'General case' 0 N--CA 1.505 2.285 0 O-C-N 121.657 -0.652 . . . . 0.0 111.725 -178.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 34.7 m . . . . . 0 N--CA 1.514 2.732 0 N-CA-C 113.133 0.79 . . . . 0.0 113.133 -177.567 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.678 ' N ' ' HD3' ' A' ' 18' ' ' ARG . 91.4 p . . . . . 1 N--CA 1.569 5.483 0 N-CA-C 121.51 3.892 . . . . 0.0 121.51 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.488 ' HA ' HG12 ' A' ' 19' ' ' VAL . 0.3 OUTLIER -78.44 -24.88 45.88 Favored 'General case' 0 N--CA 1.534 3.725 0 O-C-N 119.566 -1.959 . . . . 0.0 113.732 -173.273 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.609 ' HG2' ' CZ ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -88.39 14.37 9.77 Favored 'General case' 1 N--CA 1.552 4.644 0 N-CA-C 106.778 -1.564 . . . . 0.0 106.778 172.461 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.783 ' HA ' ' HB3' ' A' ' 21' ' ' TRP . 4.5 mpt_? -121.97 -42.06 2.41 Favored 'General case' 0 C--O 1.203 -1.346 0 C-N-CA 124.601 1.16 . . . . 0.0 110.092 -172.087 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.488 HG12 ' HA ' ' A' ' 16' ' ' MET . 2.3 p -54.62 -36.4 35.64 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 N-CA-C 107.532 -1.284 . . . . 0.0 107.532 175.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -86.9 -36.26 18.5 Favored 'General case' 0 N--CA 1.512 2.672 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 175.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.783 ' HB3' ' HA ' ' A' ' 18' ' ' ARG . 16.3 t90 -53.18 -40.25 64.23 Favored 'General case' 0 N--CA 1.508 2.431 0 N-CA-C 108.785 -0.821 . . . . 0.0 108.785 175.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -56.93 -37.1 71.03 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.5 -178.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.99 -48.04 82.11 Favored 'General case' 0 N--CA 1.497 1.904 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 176.595 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.4 ttmt -67.67 -30.82 70.45 Favored 'General case' 0 N--CA 1.506 2.327 0 O-C-N 122.313 -0.242 . . . . 0.0 110.437 178.138 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.65 -39.32 73.48 Favored 'General case' 0 N--CA 1.513 2.684 0 CA-C-N 118.465 0.575 . . . . 0.0 110.219 179.565 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.6 tp -64.4 -39.47 93.92 Favored 'General case' 0 N--CA 1.505 2.282 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 177.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -72.27 -33.78 67.72 Favored 'General case' 0 N--CA 1.507 2.413 0 O-C-N 121.929 -0.482 . . . . 0.0 110.219 178.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 39.7 m-20 -56.04 -39.25 71.7 Favored 'General case' 0 N--CA 1.511 2.612 0 O-C-N 121.758 -0.589 . . . . 0.0 110.595 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 30.2 m . . . . . 0 N--CA 1.512 2.639 0 O-C-N 121.824 -0.547 . . . . 0.0 111.856 179.307 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.497 1.904 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.583 ' HA ' ' CG1' ' A' ' 19' ' ' VAL . 7.1 ttp -97.48 -9.26 27.52 Favored 'General case' 0 N--CA 1.502 2.166 0 CA-C-O 119.129 -0.462 . . . . 0.0 112.152 -179.435 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -95.36 -27.97 15.18 Favored 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 104.773 -2.306 . . . . 0.0 104.773 174.478 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.599 ' HG2' ' N ' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -63.28 -44.69 94.37 Favored 'General case' 0 N--CA 1.497 1.892 0 C-N-CA 125.161 1.384 . . . . 0.0 109.782 177.196 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.599 ' N ' ' HG2' ' A' ' 18' ' ' ARG . 1.5 p -58.82 -45.64 91.38 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.017 0 CA-C-N 114.425 -1.261 . . . . 0.0 109.784 -177.489 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -78.76 -34.01 46.01 Favored 'General case' 0 N--CA 1.512 2.654 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 177.01 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.43 ' HB3' ' HA ' ' A' ' 18' ' ' ARG . 23.2 t90 -57.95 -42.59 85.26 Favored 'General case' 0 N--CA 1.5 2.043 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 177.322 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.497 ' HA ' ' HB2' ' A' ' 25' ' ' LYS . 1.9 mm? -61.2 -36.82 80.94 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.934 -177.742 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.1 mtm-85 -57.25 -52.93 63.33 Favored 'General case' 0 N--CA 1.502 2.143 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 177.482 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.96 -39.38 90.37 Favored 'General case' 0 N--CA 1.502 2.154 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 178.338 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.497 ' HB2' ' HA ' ' A' ' 22' ' ' LEU . 0.1 OUTLIER -55.64 -39.28 70.65 Favored 'General case' 0 N--CA 1.513 2.694 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 177.925 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.4 tp -62.13 -42.63 99.43 Favored 'General case' 0 N--CA 1.5 2.067 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 177.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -65.72 -31.36 72.31 Favored 'General case' 0 N--CA 1.505 2.318 0 O-C-N 121.892 -0.505 . . . . 0.0 110.369 178.381 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -61.72 -19.79 62.79 Favored 'General case' 0 N--CA 1.511 2.578 0 O-C-N 121.687 -0.633 . . . . 0.0 111.501 179.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 48.2 t . . . . . 0 N--CA 1.506 2.347 0 O-C-N 121.211 -0.93 . . . . 0.0 110.063 -179.907 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.598 ' HA ' ' HG2' ' A' ' 18' ' ' ARG . 0.6 OUTLIER . . . . . 0 N--CA 1.505 2.294 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.468 ' HA ' ' CG1' ' A' ' 19' ' ' VAL . 1.2 ptp -104.76 -10.71 17.24 Favored 'General case' 0 N--CA 1.508 2.454 0 CA-C-N 119.52 1.055 . . . . 0.0 111.585 -179.476 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.1 -23.65 15.65 Favored 'General case' 0 N--CA 1.506 2.327 0 N-CA-C 105.594 -2.002 . . . . 0.0 105.594 174.197 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.598 ' HG2' ' HA ' ' A' ' 15' ' ' SER . 0.0 OUTLIER -70.67 -36.24 73.23 Favored 'General case' 0 N--CA 1.501 2.077 0 C-N-CA 123.986 0.914 . . . . 0.0 110.492 177.867 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.468 ' CG1' ' HA ' ' A' ' 16' ' ' MET . 0.9 OUTLIER -61.09 -45.12 99.2 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.865 0 CA-C-N 115.372 -0.831 . . . . 0.0 108.812 -178.467 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -77.17 -35.17 56.18 Favored 'General case' 0 N--CA 1.508 2.441 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 176.176 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 20.7 t90 -58.59 -41.81 86.64 Favored 'General case' 0 N--CA 1.493 1.709 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 177.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.423 ' HG ' ' N ' ' A' ' 23' ' ' ARG . 0.1 OUTLIER -64.64 -41.56 96.05 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 -177.787 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.423 ' N ' ' HG ' ' A' ' 22' ' ' LEU . 6.7 ttp180 -64.37 -43.64 93.88 Favored 'General case' 0 N--CA 1.497 1.887 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 177.532 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.54 -44.9 85.44 Favored 'General case' 0 N--CA 1.5 2.067 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 178.237 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.18 -37.69 72.51 Favored 'General case' 0 N--CA 1.51 2.563 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 178.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.0 tt -61.76 -34.49 75.95 Favored 'General case' 0 N--CA 1.508 2.456 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 178.093 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -85.59 -35.34 21.08 Favored 'General case' 0 N--CA 1.503 2.223 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 178.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -59.06 -53.95 52.56 Favored 'General case' 0 N--CA 1.514 2.752 0 N-CA-C 106.652 -1.61 . . . . 0.0 106.652 177.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 57.2 t . . . . . 0 N--CA 1.498 1.935 0 N-CA-C 105.224 -2.139 . . . . 0.0 105.224 174.477 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.515 ' CA ' ' HG3' ' A' ' 18' ' ' ARG . 59.3 p . . . . . 0 N--CA 1.517 2.894 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -77.77 -19.06 55.76 Favored 'General case' 0 N--CA 1.506 2.364 0 CA-C-N 119.502 1.046 . . . . 0.0 108.425 178.355 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -72.73 -31.2 64.78 Favored 'General case' 0 N--CA 1.507 2.379 0 N-CA-C 106.071 -1.826 . . . . 0.0 106.071 173.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.746 ' HB2' ' CD1' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -90.82 -91.27 0.15 Allowed 'General case' 0 C--O 1.204 -1.313 0 CA-C-O 117.545 -1.217 . . . . 0.0 109.85 179.59 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.441 HG12 ' O ' ' A' ' 15' ' ' SER . 0.1 OUTLIER 47.68 -68.14 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.51 2.542 0 C-N-CA 125.59 1.556 . . . . 0.0 111.352 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.503 ' N ' ' O ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -61.34 -33.59 73.88 Favored 'General case' 0 N--CA 1.501 2.088 0 N-CA-C 106.757 -1.572 . . . . 0.0 106.757 174.342 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.746 ' CD1' ' HB2' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -50.89 -45.52 60.22 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.937 0.895 . . . . 0.0 109.262 175.837 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.488 ' N ' ' CD1' ' A' ' 21' ' ' TRP . 0.2 OUTLIER -67.12 -38.93 86.44 Favored 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 114.992 -1.004 . . . . 0.0 110.031 -176.453 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.422 ' N ' ' HG ' ' A' ' 22' ' ' LEU . 1.0 OUTLIER -67.56 -42.57 82.41 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 178.412 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.57 -32.66 66.2 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.695 -0.628 . . . . 0.0 109.383 178.103 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.424 ' HE2' ' CH2' ' A' ' 21' ' ' TRP . 0.1 OUTLIER -50.48 -40.02 49.84 Favored 'General case' 0 N--CA 1.514 2.731 0 C-N-CA 122.702 0.401 . . . . 0.0 110.852 179.401 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.6 mt -55.87 -36.11 67.24 Favored 'General case' 0 N--CA 1.514 2.767 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 178.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -83.8 -36.51 23.48 Favored 'General case' 0 N--CA 1.503 2.192 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 178.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -59.54 -42.6 92.7 Favored 'General case' 0 N--CA 1.509 2.522 0 O-C-N 121.957 -0.464 . . . . 0.0 111.596 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.511 2.582 0 O-C-N 121.571 -0.706 . . . . 0.0 112.464 -178.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.516 ' O ' ' HG3' ' A' ' 18' ' ' ARG . 1.6 m . . . . . 0 N--CA 1.521 3.077 0 N-CA-C 113.512 0.93 . . . . 0.0 113.512 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 7.6 mtp -79.58 -15.3 57.92 Favored 'General case' 0 N--CA 1.517 2.911 0 CA-C-N 120.372 1.442 . . . . 0.0 110.05 179.114 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -92.12 -28.52 17.05 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 106.671 -1.603 . . . . 0.0 106.671 174.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.862 ' HA ' ' HB3' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -83.59 -28.67 28.37 Favored 'General case' 0 C--O 1.191 -1.996 0 CA-C-O 122.963 1.363 . . . . 0.0 113.277 -179.86 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.408 ' H ' HG12 ' A' ' 19' ' ' VAL . 0.2 OUTLIER -44.53 -43.05 2.27 Favored 'Isoleucine or valine' 0 C--N 1.254 -3.56 0 O-C-N 120.112 -1.617 . . . . 0.0 110.373 -178.018 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -76.98 -35.22 57.35 Favored 'General case' 0 N--CA 1.526 3.327 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 175.334 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.862 ' HB3' ' HA ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -50.07 -45.86 52.81 Favored 'General case' 0 N--CA 1.509 2.483 0 C-N-CA 125.072 1.349 . . . . 0.0 109.043 175.56 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.449 ' N ' ' CD1' ' A' ' 21' ' ' TRP . 6.0 mt -56.97 -41.33 78.15 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.402 -176.037 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.9 -39.15 64.08 Favored 'General case' 0 N--CA 1.493 1.711 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.061 178.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.534 ' O ' ' HG3' ' A' ' 27' ' ' GLN . 11.7 tptp -76.53 -51.67 11.24 Favored 'General case' 0 N--CA 1.51 2.555 0 O-C-N 121.686 -0.634 . . . . 0.0 111.112 -179.038 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.513 ' O ' HG23 ' A' ' 29' ' ' VAL . 1.6 pptp? -65.69 -27.7 68.53 Favored 'General case' 0 N--CA 1.506 2.341 0 O-C-N 121.05 -1.031 . . . . 0.0 110.623 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 47.5 tp -66.6 -53.46 34.16 Favored 'General case' 0 N--CA 1.507 2.413 0 O-C-N 121.415 -0.803 . . . . 0.0 109.077 178.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.534 ' HG3' ' O ' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -62.89 -31.69 72.8 Favored 'General case' 0 N--CA 1.509 2.522 0 O-C-N 121.865 -0.522 . . . . 0.0 109.754 178.735 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -68.71 -39.05 80.63 Favored 'General case' 0 N--CA 1.506 2.338 0 O-C-N 121.628 -0.67 . . . . 0.0 109.238 177.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 25' ' ' LYS . 42.4 t . . . . . 0 N--CA 1.512 2.653 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 178.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.517 2.893 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.568 ' HA ' ' CG1' ' A' ' 19' ' ' VAL . 1.2 ttt -71.62 -4.11 25.32 Favored 'General case' 0 N--CA 1.511 2.594 0 CA-C-N 119.094 0.861 . . . . 0.0 111.343 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -95.84 -28.8 14.55 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 106.024 -1.843 . . . . 0.0 106.024 174.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.52 ' HG2' ' N ' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -64.07 -38.16 90.05 Favored 'General case' 0 N--CA 1.504 2.27 0 CA-C-O 121.985 0.898 . . . . 0.0 109.767 177.64 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.568 ' CG1' ' HA ' ' A' ' 16' ' ' MET . 0.5 OUTLIER -63.64 -47.26 92.06 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.719 0 CA-C-N 114.568 -1.196 . . . . 0.0 108.993 -177.549 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -74.73 -31.45 61.83 Favored 'General case' 0 N--CA 1.513 2.692 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 175.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.446 ' HB3' ' HA ' ' A' ' 18' ' ' ARG . 23.3 t90 -63.07 -38.47 91.33 Favored 'General case' 0 N--CA 1.497 1.88 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 177.259 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 19' ' ' VAL . 0.2 OUTLIER -62.71 -35.82 80.96 Favored 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 -178.184 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.9 -37.53 81.84 Favored 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 177.296 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.29 -11.89 53.68 Favored 'General case' 0 N--CA 1.503 2.224 0 O-C-N 121.785 -0.572 . . . . 0.0 111.096 178.147 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.38 -35.24 67.49 Favored 'General case' 0 N--CA 1.513 2.684 0 CA-C-N 119.315 0.961 . . . . 0.0 110.658 -179.664 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.5 tp -60.35 -38.1 82.76 Favored 'General case' 0 N--CA 1.507 2.418 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 177.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 49.2 mm-40 -80.75 -29.83 36.22 Favored 'General case' 0 N--CA 1.504 2.225 0 O-C-N 121.819 -0.551 . . . . 0.0 109.983 178.206 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -58.34 -51.18 70.86 Favored 'General case' 0 N--CA 1.512 2.653 0 N-CA-C 106.941 -1.503 . . . . 0.0 106.941 177.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.4 t . . . . . 0 N--CA 1.505 2.321 0 N-CA-C 106.301 -1.74 . . . . 0.0 106.301 175.55 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.617 ' HA ' ' CG ' ' A' ' 18' ' ' ARG . 6.1 m . . . . . 0 N--CA 1.511 2.607 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 13.4 ttp 79.66 -42.75 0.27 Allowed 'General case' 0 N--CA 1.521 3.118 0 C-N-CA 123.57 0.748 . . . . 0.0 109.299 -178.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.79 -20.34 62.61 Favored 'General case' 0 N--CA 1.499 2.002 0 N-CA-C 104.632 -2.359 . . . . 0.0 104.632 171.343 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.884 ' HB2' ' CD1' ' A' ' 21' ' ' TRP . 0.8 OUTLIER -97.6 -92.58 0.24 Allowed 'General case' 0 C--O 1.202 -1.426 0 CA-C-O 117.591 -1.195 . . . . 0.0 110.015 179.119 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.4 ' H ' ' CG ' ' A' ' 18' ' ' ARG . 0.2 OUTLIER 43.81 -66.67 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.511 2.598 0 C-N-CA 126.576 1.95 . . . . 0.0 112.777 179.287 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 18' ' ' ARG . 3.8 mm-40 -60.97 -29.31 69.58 Favored 'General case' 0 N--CA 1.512 2.655 0 N-CA-C 106.614 -1.624 . . . . 0.0 106.614 173.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.884 ' CD1' ' HB2' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -54.29 -44.19 71.71 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 124.633 1.173 . . . . 0.0 109.496 176.107 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.505 ' HG ' ' CD1' ' A' ' 21' ' ' TRP . 6.2 mt -62.88 -42.05 99.62 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.435 -177.693 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.9 ttp180 -66.24 -41.42 90.03 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 177.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.35 -21.6 55.91 Favored 'General case' 0 N--CA 1.506 2.338 0 O-C-N 121.819 -0.551 . . . . 0.0 111.39 179.014 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -56.88 -37.85 71.94 Favored 'General case' 0 N--CA 1.514 2.749 0 CA-C-N 118.9 0.773 . . . . 0.0 110.206 179.622 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 25.8 mt -62.62 -38.8 91.63 Favored 'General case' 0 N--CA 1.513 2.678 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 177.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -81.67 -4.72 56.93 Favored 'General case' 0 N--CA 1.505 2.303 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.291 179.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -110.26 -7.14 14.88 Favored 'General case' 0 N--CA 1.508 2.43 0 O-C-N 121.356 -0.84 . . . . 0.0 111.189 179.242 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 71.3 t . . . . . 0 N--CA 1.504 2.256 0 O-C-N 121.118 -0.989 . . . . 0.0 110.431 -178.855 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.545 ' HA ' ' CG ' ' A' ' 18' ' ' ARG . 0.5 OUTLIER . . . . . 0 N--CA 1.516 2.867 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.82 -19.85 26.9 Favored 'General case' 0 N--CA 1.516 2.864 0 CA-C-N 119.727 1.149 . . . . 0.0 109.244 178.394 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -82.56 -20.37 36.7 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 106.096 -1.816 . . . . 0.0 106.096 173.331 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.739 ' HB2' ' CD1' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -92.41 -84.48 0.28 Allowed 'General case' 0 C--O 1.197 -1.662 0 CA-C-O 117.124 -1.417 . . . . 0.0 108.923 177.444 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.424 ' H ' ' CG ' ' A' ' 18' ' ' ARG . 0.2 OUTLIER 35.13 -71.55 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.504 2.27 0 C-N-CA 126.438 1.895 . . . . 0.0 113.2 178.717 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 18' ' ' ARG . 0.9 OUTLIER -56.95 -33.41 66.99 Favored 'General case' 0 N--CA 1.515 2.813 0 N-CA-C 107.182 -1.414 . . . . 0.0 107.182 174.597 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.739 ' CD1' ' HB2' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -50.5 -49.03 56.63 Favored 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 124.976 1.31 . . . . 0.0 109.383 175.519 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.41 ' N ' ' CD1' ' A' ' 21' ' ' TRP . 0.2 OUTLIER -61.24 -38.51 86.91 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 114.742 -1.117 . . . . 0.0 110.95 -175.58 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.402 ' N ' ' HG ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -73.41 -44.27 58.74 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 178.191 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.465 ' HE2' ' HB2' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -65.54 -30.89 71.69 Favored 'General case' 0 N--CA 1.503 2.208 0 O-C-N 122.04 -0.412 . . . . 0.0 110.905 179.623 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.6 mmmt -53.4 -41.87 66.38 Favored 'General case' 0 N--CA 1.512 2.658 0 CA-C-N 118.463 0.574 . . . . 0.0 110.498 179.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.4 tp -64.39 -41.71 96.53 Favored 'General case' 0 N--CA 1.507 2.415 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 178.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.465 ' HB2' ' HE2' ' A' ' 24' ' ' LYS . 33.7 mt-30 -80.4 -7.82 59.27 Favored 'General case' 0 N--CA 1.51 2.564 0 O-C-N 121.946 -0.471 . . . . 0.0 111.581 179.172 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -106.37 -12.74 15.57 Favored 'General case' 0 N--CA 1.505 2.304 0 O-C-N 121.28 -0.887 . . . . 0.0 111.289 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 92.6 t . . . . . 0 N--CA 1.505 2.29 0 O-C-N 121.275 -0.891 . . . . 0.0 109.929 -179.565 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.74 ' HA ' ' HG2' ' A' ' 18' ' ' ARG . 5.1 m . . . . . 0 N--CA 1.504 2.262 0 CA-C-O 120.814 0.34 . . . . 0.0 110.335 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.563 ' HA ' ' CG1' ' A' ' 19' ' ' VAL . 1.2 mtp 76.98 -34.62 0.22 Allowed 'General case' 0 N--CA 1.524 3.239 0 C-N-CA 123.878 0.871 . . . . 0.0 111.078 -179.174 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -88.05 -27.24 22.12 Favored 'General case' 0 N--CA 1.498 1.944 0 N-CA-C 105.042 -2.207 . . . . 0.0 105.042 173.067 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.74 ' HG2' ' HA ' ' A' ' 15' ' ' SER . 0.6 OUTLIER -69.42 -29.82 67.63 Favored 'General case' 0 N--CA 1.5 2.073 0 C-N-CA 124.26 1.024 . . . . 0.0 112.027 177.389 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.741 ' HA ' HD23 ' A' ' 22' ' ' LEU . 1.2 p -74.75 -47.1 39.51 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.846 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 -176.457 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -68.99 -33.52 73.82 Favored 'General case' 0 N--CA 1.509 2.497 0 N-CA-C 106.975 -1.491 . . . . 0.0 106.975 175.079 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.608 ' CE2' ' HD3' ' A' ' 25' ' ' LYS . 23.5 t90 -60.8 -45.88 92.67 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 176.712 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.741 HD23 ' HA ' ' A' ' 19' ' ' VAL . 0.2 OUTLIER -61.48 -37.67 84.49 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 120.479 -0.488 . . . . 0.0 110.022 -178.187 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.411 ' N ' ' HG ' ' A' ' 22' ' ' LEU . 8.3 ttp180 -65.39 -40.43 93.45 Favored 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 107.309 -1.367 . . . . 0.0 107.309 176.185 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.16 -28.61 69.78 Favored 'General case' 0 N--CA 1.503 2.194 0 O-C-N 122.177 -0.327 . . . . 0.0 110.397 177.416 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.608 ' HD3' ' CE2' ' A' ' 21' ' ' TRP . 0.2 OUTLIER -55.35 -39.55 70.17 Favored 'General case' 0 N--CA 1.517 2.918 0 CA-C-N 118.766 0.712 . . . . 0.0 109.75 179.051 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.0 tt -60.39 -47.96 83.81 Favored 'General case' 0 N--CA 1.507 2.383 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 177.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -62.62 -30.34 71.28 Favored 'General case' 0 N--CA 1.505 2.316 0 O-C-N 122.188 -0.32 . . . . 0.0 110.188 178.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -66.96 -48.28 69.02 Favored 'General case' 0 N--CA 1.507 2.382 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 178.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.9 t . . . . . 0 N--CA 1.516 2.851 0 O-C-N 121.895 -0.503 . . . . 0.0 109.79 179.045 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.554 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 70.86 133.49 0.04 OUTLIER 'General case' 0 N--CA 1.516 2.828 0 CA-C-O 121.455 0.645 . . . . 0.0 111.142 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.499 ' HB ' ' HB2' ' A' ' 6' ' ' MET . 26.0 mm -123.84 158.0 30.14 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.387 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 179.443 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 6.1 pm0 -58.97 -35.07 72.57 Favored 'General case' 0 N--CA 1.516 2.864 0 O-C-N 121.962 -0.462 . . . . 0.0 111.018 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.428 HD22 HG11 ' A' ' 29' ' ' VAL . 0.6 OUTLIER -91.03 -30.35 16.84 Favored 'General case' 0 N--CA 1.508 2.462 0 O-C-N 121.647 -0.658 . . . . 0.0 110.272 178.819 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.499 ' HB2' ' HB ' ' A' ' 3' ' ' ILE . 0.7 OUTLIER -69.73 -34.73 74.25 Favored 'General case' 0 N--CA 1.509 2.49 0 O-C-N 121.756 -0.59 . . . . 0.0 110.595 179.469 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.477 ' HA ' ' HE3' ' A' ' 11' ' ' LYS . 1.0 OUTLIER -57.76 -47.27 82.97 Favored 'General case' 0 N--CA 1.507 2.389 0 O-C-N 121.965 -0.459 . . . . 0.0 110.558 -179.876 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -93.24 169.76 10.14 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 122.014 -0.429 . . . . 0.0 110.284 179.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 72.94 -77.6 0.05 Allowed 'General case' 0 N--CA 1.508 2.466 0 C-N-CA 123.518 0.727 . . . . 0.0 110.529 179.633 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -119.78 80.51 0.32 Allowed Glycine 0 N--CA 1.489 2.178 0 N-CA-C 110.459 -1.056 . . . . 0.0 110.459 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.542 ' HE2' ' HA ' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -66.0 -48.8 70.0 Favored 'General case' 0 N--CA 1.508 2.445 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 178.429 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.635 ' O ' HD12 ' A' ' 13' ' ' LEU . 1.9 p-80 -118.47 142.91 47.1 Favored 'General case' 0 N--CA 1.504 2.245 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 177.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.635 HD12 ' O ' ' A' ' 12' ' ' HIS . 0.1 OUTLIER -150.81 169.06 22.59 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 115.459 1.652 . . . . 0.0 115.459 -176.541 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -128.58 140.92 51.54 Favored 'General case' 0 N--CA 1.485 1.324 0 CA-C-N 113.333 -1.758 . . . . 0.0 106.853 178.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.581 ' HA ' ' HD3' ' A' ' 18' ' ' ARG . 24.2 m -33.52 -47.82 0.24 Allowed 'General case' 0 N--CA 1.534 3.746 0 N-CA-C 114.83 1.419 . . . . 0.0 114.83 -176.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.549 ' HA ' ' CG1' ' A' ' 19' ' ' VAL . 0.2 OUTLIER -81.1 6.55 13.35 Favored 'General case' 0 N--CA 1.517 2.89 0 CA-C-N 119.811 1.187 . . . . 0.0 112.638 -179.69 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.565 ' HB3' HD23 ' A' ' 13' ' ' LEU . 26.4 tt0 -105.33 -34.83 7.73 Favored 'General case' 0 N--CA 1.495 1.818 0 N-CA-C 106.131 -1.803 . . . . 0.0 106.131 175.253 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.604 ' HG3' HD22 ' A' ' 13' ' ' LEU . 0.6 OUTLIER -62.51 -44.41 96.43 Favored 'General case' 0 N--CA 1.495 1.81 0 C-N-CA 124.027 0.931 . . . . 0.0 108.545 177.413 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.549 ' CG1' ' HA ' ' A' ' 16' ' ' MET . 1.4 p -50.71 -47.71 28.29 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 CA-C-N 115.219 -0.9 . . . . 0.0 110.428 179.598 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -81.66 -34.68 30.63 Favored 'General case' 0 N--CA 1.514 2.745 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 177.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.432 ' HB3' ' HA ' ' A' ' 18' ' ' ARG . 17.6 t90 -58.08 -38.47 76.44 Favored 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 177.103 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.78 -37.25 78.53 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.032 -177.609 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.6 ttm105 -60.06 -52.2 66.39 Favored 'General case' 0 N--CA 1.495 1.813 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 177.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.55 -39.94 88.79 Favored 'General case' 0 N--CA 1.505 2.299 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 178.495 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.51 -40.21 68.35 Favored 'General case' 0 N--CA 1.512 2.633 0 CA-C-N 118.01 0.368 . . . . 0.0 110.127 179.051 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.5 tp -64.61 -40.77 96.09 Favored 'General case' 0 N--CA 1.504 2.254 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 177.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -68.96 -28.41 66.61 Favored 'General case' 0 N--CA 1.51 2.529 0 O-C-N 121.761 -0.587 . . . . 0.0 110.261 178.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -70.44 -50.55 37.11 Favored 'General case' 0 N--CA 1.505 2.285 0 O-C-N 121.657 -0.652 . . . . 0.0 111.725 -178.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.57 ' HB ' ' CD1' ' A' ' 32' ' ' PHE . 34.7 m -123.6 -32.28 1.21 Allowed 'Isoleucine or valine' 0 N--CA 1.514 2.732 0 N-CA-C 113.133 0.79 . . . . 0.0 113.133 -177.567 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 46.47 -97.0 0.03 OUTLIER 'General case' 0 N--CA 1.531 3.613 0 CA-C-N 119.394 0.997 . . . . 0.0 111.406 177.461 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 36.0 t30 -102.13 -50.61 3.59 Favored 'General case' 0 N--CA 1.505 2.312 0 O-C-N 121.189 -0.945 . . . . 0.0 109.366 179.2 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.57 ' CD1' ' HB ' ' A' ' 29' ' ' VAL . 21.8 p90 38.88 29.48 0.03 OUTLIER 'General case' 0 N--CA 1.532 3.635 0 N-CA-C 113.658 0.985 . . . . 0.0 113.658 179.438 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.4 t 56.49 18.94 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.512 2.654 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 -177.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 46.2 40.88 8.03 Favored 'General case' 0 N--CA 1.492 1.643 0 CA-C-O 121.901 0.858 . . . . 0.0 110.094 -178.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.7 tt . . . . . 0 N--CA 1.493 1.695 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.668 -179.11 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.48 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -89.28 136.94 32.74 Favored 'General case' 0 N--CA 1.504 2.25 0 CA-C-O 121.145 0.498 . . . . 0.0 109.861 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.0 mp -86.81 160.24 3.03 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.596 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 179.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 35.4 tp60 -57.22 -45.75 83.58 Favored 'General case' 0 N--CA 1.51 2.567 0 O-C-N 121.562 -0.711 . . . . 0.0 109.346 178.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.5 pp -66.58 -34.56 78.16 Favored 'General case' 0 N--CA 1.51 2.55 0 O-C-N 121.893 -0.505 . . . . 0.0 109.647 177.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.03 -17.36 62.62 Favored 'General case' 0 N--CA 1.505 2.284 0 O-C-N 121.807 -0.558 . . . . 0.0 111.019 178.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.9 -36.02 74.0 Favored 'General case' 0 N--CA 1.509 2.483 0 CA-C-N 119.099 0.863 . . . . 0.0 109.665 178.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 70.3 m-80 -69.81 -39.86 76.28 Favored 'General case' 0 N--CA 1.505 2.3 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 177.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.411 ' O ' HD22 ' A' ' 13' ' ' LEU . 1.1 tt -62.86 -47.43 83.38 Favored 'General case' 0 N--CA 1.506 2.356 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 178.224 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -92.97 54.91 2.57 Favored Glycine 0 N--CA 1.5 2.914 0 N-CA-C 109.247 -1.541 . . . . 0.0 109.247 178.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.47 -31.48 2.03 Favored 'General case' 0 N--CA 1.512 2.653 0 O-C-N 122.279 -0.542 . . . . 0.0 110.737 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -164.65 98.27 0.78 Allowed 'General case' 0 N--CA 1.509 2.478 0 N-CA-C 105.863 -1.903 . . . . 0.0 105.863 -179.428 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.87 ' HG ' ' HG3' ' A' ' 18' ' ' ARG . 1.1 pt? -146.7 -121.5 0.07 Allowed 'General case' 0 N--CA 1.502 2.171 0 O-C-N 121.11 -0.994 . . . . 0.0 112.831 -175.573 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.696 ' N ' ' HG2' ' A' ' 18' ' ' ARG . 0.6 OUTLIER -145.89 -79.62 0.17 Allowed 'General case' 1 N--CA 1.54 4.034 0 N-CA-C 118.666 2.839 . . . . 0.0 118.666 -175.442 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.678 ' N ' ' HD3' ' A' ' 18' ' ' ARG . 91.4 p -107.7 -89.02 0.46 Allowed 'General case' 1 N--CA 1.569 5.483 0 N-CA-C 121.51 3.892 . . . . 0.0 121.51 -173.441 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.488 ' HA ' HG12 ' A' ' 19' ' ' VAL . 0.3 OUTLIER -78.44 -24.88 45.88 Favored 'General case' 0 N--CA 1.534 3.725 0 O-C-N 119.566 -1.959 . . . . 0.0 113.732 -173.273 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.609 ' HG2' ' CZ ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -88.39 14.37 9.77 Favored 'General case' 1 N--CA 1.552 4.644 0 N-CA-C 106.778 -1.564 . . . . 0.0 106.778 172.461 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.87 ' HG3' ' HG ' ' A' ' 13' ' ' LEU . 4.5 mpt_? -121.97 -42.06 2.41 Favored 'General case' 0 C--O 1.203 -1.346 0 C-N-CA 124.601 1.16 . . . . 0.0 110.092 -172.087 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.488 HG12 ' HA ' ' A' ' 16' ' ' MET . 2.3 p -54.62 -36.4 35.64 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 N-CA-C 107.532 -1.284 . . . . 0.0 107.532 175.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -86.9 -36.26 18.5 Favored 'General case' 0 N--CA 1.512 2.672 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 175.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.783 ' HB3' ' HA ' ' A' ' 18' ' ' ARG . 16.3 t90 -53.18 -40.25 64.23 Favored 'General case' 0 N--CA 1.508 2.431 0 N-CA-C 108.785 -0.821 . . . . 0.0 108.785 175.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -56.93 -37.1 71.03 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.5 -178.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.99 -48.04 82.11 Favored 'General case' 0 N--CA 1.497 1.904 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 176.595 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.4 ttmt -67.67 -30.82 70.45 Favored 'General case' 0 N--CA 1.506 2.327 0 O-C-N 122.313 -0.242 . . . . 0.0 110.437 178.138 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.65 -39.32 73.48 Favored 'General case' 0 N--CA 1.513 2.684 0 CA-C-N 118.465 0.575 . . . . 0.0 110.219 179.565 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.6 tp -64.4 -39.47 93.92 Favored 'General case' 0 N--CA 1.505 2.282 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 177.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -72.27 -33.78 67.72 Favored 'General case' 0 N--CA 1.507 2.413 0 O-C-N 121.929 -0.482 . . . . 0.0 110.219 178.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 39.7 m-20 -56.04 -39.25 71.7 Favored 'General case' 0 N--CA 1.511 2.612 0 O-C-N 121.758 -0.589 . . . . 0.0 110.595 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.462 ' HB ' ' CD1' ' A' ' 32' ' ' PHE . 30.2 m -105.57 -8.67 10.07 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.639 0 O-C-N 121.824 -0.547 . . . . 0.0 111.856 179.307 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 41.29 -96.57 0.02 OUTLIER 'General case' 0 N--CA 1.523 3.207 0 C-N-CA 123.553 0.741 . . . . 0.0 112.605 176.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.508 HD22 HD13 ' A' ' 35' ' ' LEU . 6.5 m120 -130.15 50.95 2.14 Favored 'General case' 0 N--CA 1.509 2.515 0 O-C-N 121.147 -0.97 . . . . 0.0 108.688 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.462 ' CD1' ' HB ' ' A' ' 29' ' ' VAL . 0.1 OUTLIER -77.53 -153.61 0.06 Allowed 'General case' 0 N--CA 1.509 2.482 0 O-C-N 121.63 -0.669 . . . . 0.0 110.83 -179.397 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.484 HG13 ' O ' ' A' ' 33' ' ' VAL . 8.1 p -62.58 88.79 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.513 2.709 0 CA-C-O 122.227 1.013 . . . . 0.0 108.742 179.386 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 171.65 -49.08 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.422 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 -177.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.508 HD13 HD22 ' A' ' 31' ' ' ASN . 0.3 OUTLIER . . . . . 0 N--CA 1.497 1.915 0 CA-C-O 118.668 -0.682 . . . . 0.0 109.866 179.27 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.561 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -59.08 -40.37 85.02 Favored 'General case' 0 N--CA 1.517 2.885 0 O-C-N 122.28 -0.262 . . . . 0.0 110.557 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -88.23 -28.42 5.43 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.401 0 O-C-N 121.819 -0.551 . . . . 0.0 110.247 178.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -69.23 -36.29 77.04 Favored 'General case' 0 N--CA 1.507 2.391 0 O-C-N 121.509 -0.745 . . . . 0.0 111.072 -179.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.469 ' HA ' ' HB2' ' A' ' 9' ' ' LEU . 3.1 pp -58.32 -33.72 69.82 Favored 'General case' 0 N--CA 1.514 2.737 0 CA-C-N 118.917 0.781 . . . . 0.0 110.661 179.602 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.83 -36.08 11.81 Favored 'General case' 0 N--CA 1.501 2.123 0 O-C-N 121.729 -0.607 . . . . 0.0 110.355 179.135 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 49.5 t60 -70.99 -63.27 1.13 Allowed 'General case' 0 N--CA 1.506 2.368 0 O-C-N 121.615 -0.678 . . . . 0.0 110.014 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.414 ' ND2' ' HB3' ' A' ' 24' ' ' LYS . 9.1 t-20 -154.72 99.46 2.15 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.771 -0.581 . . . . 0.0 110.024 -178.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.469 ' HB2' ' HA ' ' A' ' 5' ' ' LEU . 0.2 OUTLIER -128.44 -61.34 1.08 Allowed 'General case' 0 N--CA 1.502 2.136 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 179.88 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.568 ' HA2' HD11 ' A' ' 13' ' ' LEU . . . 173.51 68.74 0.05 OUTLIER Glycine 0 N--CA 1.5 2.935 0 N-CA-C 110.673 -0.971 . . . . 0.0 110.673 179.805 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.635 ' HG3' HD21 ' A' ' 13' ' ' LEU . 0.9 OUTLIER -81.72 90.78 6.37 Favored 'General case' 0 N--CA 1.513 2.719 0 CA-C-N 117.945 0.872 . . . . 0.0 110.587 -179.929 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.648 ' C ' ' HG ' ' A' ' 13' ' ' LEU . 14.5 m-70 69.38 -97.69 0.04 OUTLIER 'General case' 0 N--CA 1.521 3.097 0 O-C-N 121.232 -0.917 . . . . 0.0 108.639 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 1.07 HD23 ' HB2' ' A' ' 17' ' ' GLU . 0.1 OUTLIER 54.87 58.27 4.95 Favored 'General case' 0 N--CA 1.533 3.68 0 CA-C-O 123.017 1.389 . . . . 0.0 109.518 175.695 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -84.27 -17.84 38.36 Favored 'General case' 0 C--N 1.277 -2.576 0 CA-C-N 114.112 -1.404 . . . . 0.0 108.436 -178.635 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.45 -48.79 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.904 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 177.588 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.583 ' HA ' ' CG1' ' A' ' 19' ' ' VAL . 7.1 ttp -97.48 -9.26 27.52 Favored 'General case' 0 N--CA 1.502 2.166 0 CA-C-O 119.129 -0.462 . . . . 0.0 112.152 -179.435 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 1.07 ' HB2' HD23 ' A' ' 13' ' ' LEU . 0.3 OUTLIER -95.36 -27.97 15.18 Favored 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 104.773 -2.306 . . . . 0.0 104.773 174.478 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.599 ' HG2' ' N ' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -63.28 -44.69 94.37 Favored 'General case' 0 N--CA 1.497 1.892 0 C-N-CA 125.161 1.384 . . . . 0.0 109.782 177.196 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.599 ' N ' ' HG2' ' A' ' 18' ' ' ARG . 1.5 p -58.82 -45.64 91.38 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.017 0 CA-C-N 114.425 -1.261 . . . . 0.0 109.784 -177.489 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -78.76 -34.01 46.01 Favored 'General case' 0 N--CA 1.512 2.654 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 177.01 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.701 ' HB2' HD22 ' A' ' 13' ' ' LEU . 23.2 t90 -57.95 -42.59 85.26 Favored 'General case' 0 N--CA 1.5 2.043 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 177.322 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.497 ' HA ' ' HB2' ' A' ' 25' ' ' LYS . 1.9 mm? -61.2 -36.82 80.94 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.934 -177.742 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.1 mtm-85 -57.25 -52.93 63.33 Favored 'General case' 0 N--CA 1.502 2.143 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 177.482 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.414 ' HB3' ' ND2' ' A' ' 8' ' ' ASN . 0.3 OUTLIER -65.96 -39.38 90.37 Favored 'General case' 0 N--CA 1.502 2.154 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 178.338 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.497 ' HB2' ' HA ' ' A' ' 22' ' ' LEU . 0.1 OUTLIER -55.64 -39.28 70.65 Favored 'General case' 0 N--CA 1.513 2.694 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 177.925 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.4 tp -62.13 -42.63 99.43 Favored 'General case' 0 N--CA 1.5 2.067 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 177.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.499 ' HA ' ' HB2' ' A' ' 31' ' ' ASN . 19.2 mt-30 -65.72 -31.36 72.31 Favored 'General case' 0 N--CA 1.505 2.318 0 O-C-N 121.892 -0.505 . . . . 0.0 110.369 178.381 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -61.72 -19.79 62.79 Favored 'General case' 0 N--CA 1.511 2.578 0 O-C-N 121.687 -0.633 . . . . 0.0 111.501 179.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 48.2 t -131.03 -56.16 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.506 2.347 0 O-C-N 121.211 -0.93 . . . . 0.0 110.063 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 80.7 m80 -62.94 -52.91 61.21 Favored 'General case' 0 N--CA 1.516 2.841 0 O-C-N 121.913 -0.492 . . . . 0.0 110.133 -179.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.499 ' HB2' ' HA ' ' A' ' 27' ' ' GLN . 8.4 m120 -96.13 48.45 1.11 Allowed 'General case' 0 N--CA 1.508 2.467 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 178.63 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -95.64 -150.48 0.32 Allowed 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 119.57 -0.852 . . . . 0.0 110.478 179.498 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 9.6 t 55.62 39.61 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.517 2.914 0 N-CA-C 103.744 -2.688 . . . . 0.0 103.744 -172.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -139.5 -56.78 0.58 Allowed 'General case' 0 N--CA 1.483 1.204 0 CA-C-N 114.652 -1.158 . . . . 0.0 109.718 -173.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.502 2.175 0 CA-C-O 118.752 -0.642 . . . . 0.0 109.601 179.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.569 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.35 -45.02 85.83 Favored 'General case' 0 N--CA 1.511 2.603 0 O-C-N 122.119 -0.363 . . . . 0.0 110.651 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 37.1 mm 77.69 -60.04 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.519 2.981 0 C-N-CA 123.189 0.596 . . . . 0.0 109.499 -179.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -60.11 -39.63 86.9 Favored 'General case' 0 N--CA 1.511 2.589 0 O-C-N 121.688 -0.632 . . . . 0.0 110.128 179.243 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.444 HD22 ' HA ' ' A' ' 5' ' ' LEU . 0.2 OUTLIER -62.88 -48.24 79.84 Favored 'General case' 0 N--CA 1.508 2.431 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 178.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 1.3 mtt -65.98 -34.42 78.06 Favored 'General case' 0 N--CA 1.508 2.452 0 O-C-N 122.082 -0.386 . . . . 0.0 110.288 179.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 7.9 m80 -64.96 -51.29 62.6 Favored 'General case' 0 N--CA 1.506 2.337 0 O-C-N 121.835 -0.541 . . . . 0.0 110.485 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -70.21 -26.96 64.12 Favored 'General case' 0 N--CA 1.51 2.563 0 O-C-N 121.653 -0.654 . . . . 0.0 110.683 179.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.464 HD22 ' HA ' ' A' ' 9' ' ' LEU . 0.4 OUTLIER -76.93 106.0 8.34 Favored 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 106.853 -1.536 . . . . 0.0 106.853 178.434 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.57 ' HA2' HD21 ' A' ' 13' ' ' LEU . . . 86.6 39.15 7.81 Favored Glycine 0 N--CA 1.491 2.326 0 N-CA-C 109.569 -1.412 . . . . 0.0 109.569 -177.616 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.2 ttpp -106.17 23.69 13.67 Favored 'General case' 0 N--CA 1.508 2.429 0 O-C-N 121.693 -0.887 . . . . 0.0 110.75 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 9.4 p-80 -154.38 61.28 0.69 Allowed 'General case' 0 N--CA 1.507 2.38 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.809 ' HA ' ' CG ' ' A' ' 17' ' ' GLU . 0.1 OUTLIER -129.36 -58.02 1.13 Allowed 'General case' 0 N--CA 1.504 2.261 0 CA-C-N 115.369 -0.832 . . . . 0.0 109.429 -177.484 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.431 ' ND2' ' N ' ' A' ' 14' ' ' ASN . 0.0 OUTLIER 69.17 -54.63 0.57 Allowed 'General case' 0 N--CA 1.498 1.929 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.837 175.583 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.598 ' HA ' ' HG2' ' A' ' 18' ' ' ARG . 0.6 OUTLIER -154.18 -38.68 0.09 Allowed 'General case' 0 N--CA 1.505 2.294 0 CA-C-N 119.796 1.18 . . . . 0.0 113.317 -179.743 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.468 ' HA ' ' CG1' ' A' ' 19' ' ' VAL . 1.2 ptp -104.76 -10.71 17.24 Favored 'General case' 0 N--CA 1.508 2.454 0 CA-C-N 119.52 1.055 . . . . 0.0 111.585 -179.476 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.809 ' CG ' ' HA ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -98.1 -23.65 15.65 Favored 'General case' 0 N--CA 1.506 2.327 0 N-CA-C 105.594 -2.002 . . . . 0.0 105.594 174.197 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.605 ' N ' ' HB3' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -70.67 -36.24 73.23 Favored 'General case' 0 N--CA 1.501 2.077 0 C-N-CA 123.986 0.914 . . . . 0.0 110.492 177.867 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.468 ' CG1' ' HA ' ' A' ' 16' ' ' MET . 0.9 OUTLIER -61.09 -45.12 99.2 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.865 0 CA-C-N 115.372 -0.831 . . . . 0.0 108.812 -178.467 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -77.17 -35.17 56.18 Favored 'General case' 0 N--CA 1.508 2.441 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 176.176 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 20.7 t90 -58.59 -41.81 86.64 Favored 'General case' 0 N--CA 1.493 1.709 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 177.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.423 ' HG ' ' N ' ' A' ' 23' ' ' ARG . 0.1 OUTLIER -64.64 -41.56 96.05 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 -177.787 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.423 ' N ' ' HG ' ' A' ' 22' ' ' LEU . 6.7 ttp180 -64.37 -43.64 93.88 Favored 'General case' 0 N--CA 1.497 1.887 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 177.532 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.54 -44.9 85.44 Favored 'General case' 0 N--CA 1.5 2.067 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 178.237 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.18 -37.69 72.51 Favored 'General case' 0 N--CA 1.51 2.563 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 178.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.0 tt -61.76 -34.49 75.95 Favored 'General case' 0 N--CA 1.508 2.456 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 178.093 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -85.59 -35.34 21.08 Favored 'General case' 0 N--CA 1.503 2.223 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 178.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -59.06 -53.95 52.56 Favored 'General case' 0 N--CA 1.514 2.752 0 N-CA-C 106.652 -1.61 . . . . 0.0 106.652 177.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.412 ' O ' ' HB2' ' A' ' 30' ' ' HIS . 57.2 t -75.32 159.15 5.53 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.935 0 N-CA-C 105.224 -2.139 . . . . 0.0 105.224 174.477 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.412 ' HB2' ' O ' ' A' ' 29' ' ' VAL . 49.9 m80 76.12 -64.54 0.35 Allowed 'General case' 0 N--CA 1.522 3.17 0 CA-C-N 119.383 0.992 . . . . 0.0 108.836 -178.48 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.628 ' HB3' HD22 ' A' ' 35' ' ' LEU . 7.6 m120 -104.41 73.0 1.08 Allowed 'General case' 0 N--CA 1.501 2.121 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 179.495 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -107.12 -114.8 0.27 Allowed 'General case' 0 N--CA 1.512 2.653 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.7 m -91.31 35.86 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.512 2.668 0 CA-C-N 120.344 1.429 . . . . 0.0 110.018 178.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -140.71 35.36 1.8 Allowed 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.32 -0.862 . . . . 0.0 109.557 179.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.628 HD22 ' HB3' ' A' ' 31' ' ' ASN . 3.2 tp . . . . . 0 N--CA 1.502 2.129 0 CA-C-O 117.583 -1.198 . . . . 0.0 109.994 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.748 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.46 ' HG3' ' HB3' ' A' ' 8' ' ' ASN . 1.4 mp0 -81.37 -5.61 58.04 Favored 'General case' 0 N--CA 1.511 2.614 0 N-CA-C 112.554 0.576 . . . . 0.0 112.554 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 28.7 mm -104.66 -38.31 4.75 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.598 0 O-C-N 120.924 -1.11 . . . . 0.0 111.318 -178.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.482 ' HG2' ' HB3' ' A' ' 7' ' ' HIS . 2.3 pm0 -56.84 96.93 0.02 OUTLIER 'General case' 0 N--CA 1.524 3.272 0 CA-C-N 119.291 0.95 . . . . 0.0 109.249 179.772 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' A' ' 4' ' ' GLN . 0.4 OUTLIER 48.4 31.2 2.65 Favored 'General case' 0 N--CA 1.524 3.255 0 C-N-CA 123.27 0.628 . . . . 0.0 110.35 -176.361 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 53.7 45.71 27.42 Favored 'General case' 0 N--CA 1.51 2.554 0 CA-C-O 123.202 1.477 . . . . 0.0 108.67 -176.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.482 ' HB3' ' HG2' ' A' ' 4' ' ' GLN . 39.8 t60 -54.5 -50.05 68.73 Favored 'General case' 0 N--CA 1.496 1.87 0 CA-C-N 114.362 -1.29 . . . . 0.0 110.859 -178.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.49 ' HA ' ' HB3' ' A' ' 12' ' ' HIS . 0.7 OUTLIER -94.06 45.13 1.13 Allowed 'General case' 0 N--CA 1.503 2.212 0 CA-C-N 118.857 0.753 . . . . 0.0 110.76 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.5 mp -128.81 -53.72 1.23 Allowed 'General case' 0 N--CA 1.502 2.166 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 178.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -118.9 -45.96 0.44 Allowed Glycine 0 N--CA 1.504 3.172 0 N-CA-C 109.778 -1.329 . . . . 0.0 109.778 179.048 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.4 tptt -68.73 -28.59 66.96 Favored 'General case' 0 N--CA 1.511 2.617 0 CA-C-N 117.987 0.893 . . . . 0.0 110.948 179.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.49 ' HB3' ' HA ' ' A' ' 8' ' ' ASN . 18.8 t-160 -139.55 126.67 21.14 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 107.57 -1.27 . . . . 0.0 107.57 178.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.693 HD21 ' HB3' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -168.99 -126.11 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.425 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.096 -176.15 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -139.66 -57.07 0.57 Allowed 'General case' 0 N--CA 1.511 2.586 0 CA-C-N 119.963 1.256 . . . . 0.0 110.918 -177.059 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.515 ' CA ' ' HG3' ' A' ' 18' ' ' ARG . 59.3 p -174.02 -60.94 0.02 OUTLIER 'General case' 0 N--CA 1.517 2.894 0 CA-C-N 119.575 1.079 . . . . 0.0 112.494 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -77.77 -19.06 55.76 Favored 'General case' 0 N--CA 1.506 2.364 0 CA-C-N 119.502 1.046 . . . . 0.0 108.425 178.355 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.423 ' HB2' ' HB2' ' A' ' 13' ' ' LEU . 12.7 mm-40 -72.73 -31.2 64.78 Favored 'General case' 0 N--CA 1.507 2.379 0 N-CA-C 106.071 -1.826 . . . . 0.0 106.071 173.502 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.746 ' HB2' ' CD1' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -90.82 -91.27 0.15 Allowed 'General case' 0 C--O 1.204 -1.313 0 CA-C-O 117.545 -1.217 . . . . 0.0 109.85 179.59 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.441 HG12 ' O ' ' A' ' 15' ' ' SER . 0.1 OUTLIER 47.68 -68.14 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.51 2.542 0 C-N-CA 125.59 1.556 . . . . 0.0 111.352 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.503 ' N ' ' O ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -61.34 -33.59 73.88 Favored 'General case' 0 N--CA 1.501 2.088 0 N-CA-C 106.757 -1.572 . . . . 0.0 106.757 174.342 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.746 ' CD1' ' HB2' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -50.89 -45.52 60.22 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.937 0.895 . . . . 0.0 109.262 175.837 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.488 ' N ' ' CD1' ' A' ' 21' ' ' TRP . 0.2 OUTLIER -67.12 -38.93 86.44 Favored 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 114.992 -1.004 . . . . 0.0 110.031 -176.453 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.422 ' N ' ' HG ' ' A' ' 22' ' ' LEU . 1.0 OUTLIER -67.56 -42.57 82.41 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 178.412 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.57 -32.66 66.2 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.695 -0.628 . . . . 0.0 109.383 178.103 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.424 ' HE2' ' CH2' ' A' ' 21' ' ' TRP . 0.1 OUTLIER -50.48 -40.02 49.84 Favored 'General case' 0 N--CA 1.514 2.731 0 C-N-CA 122.702 0.401 . . . . 0.0 110.852 179.401 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.6 mt -55.87 -36.11 67.24 Favored 'General case' 0 N--CA 1.514 2.767 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 178.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -83.8 -36.51 23.48 Favored 'General case' 0 N--CA 1.503 2.192 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 178.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -59.54 -42.6 92.7 Favored 'General case' 0 N--CA 1.509 2.522 0 O-C-N 121.957 -0.464 . . . . 0.0 111.596 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.686 ' HB ' ' HB3' ' A' ' 32' ' ' PHE . 0.1 OUTLIER -130.48 25.96 1.7 Allowed 'Isoleucine or valine' 0 N--CA 1.511 2.582 0 O-C-N 121.571 -0.706 . . . . 0.0 112.464 -178.125 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 46.43 -91.13 0.02 OUTLIER 'General case' 0 N--CA 1.523 3.22 0 C-N-CA 123.907 0.883 . . . . 0.0 112.582 176.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -94.13 -54.9 3.39 Favored 'General case' 0 N--CA 1.501 2.081 0 CA-C-N 119.362 0.983 . . . . 0.0 110.434 -179.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.686 ' HB3' ' HB ' ' A' ' 29' ' ' VAL . 8.5 p90 26.77 37.94 0.0 OUTLIER 'General case' 0 N--CA 1.538 3.955 0 N-CA-C 114.887 1.44 . . . . 0.0 114.887 179.117 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.518 HG23 ' HB2' ' A' ' 35' ' ' LEU . 20.6 m 46.96 27.16 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.52 3.067 0 O-C-N 121.825 -0.547 . . . . 0.0 109.554 -176.389 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 43.49 44.5 5.06 Favored 'General case' 0 N--CA 1.489 1.5 0 C-N-CA 124.423 1.089 . . . . 0.0 111.452 -179.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.518 ' HB2' HG23 ' A' ' 33' ' ' VAL . 3.6 tt . . . . . 0 N--CA 1.495 1.813 0 CA-C-O 117.676 -1.154 . . . . 0.0 109.502 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.643 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 67.25 -81.68 0.03 OUTLIER 'General case' 0 N--CA 1.514 2.764 0 C-N-CA 122.793 0.437 . . . . 0.0 110.45 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.48 HG22 ' ND1' ' A' ' 7' ' ' HIS . 8.7 mt 54.56 47.3 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.514 2.74 0 CA-C-O 121.9 0.857 . . . . 0.0 110.195 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -133.19 -69.48 0.55 Allowed 'General case' 0 N--CA 1.503 2.193 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 179.338 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.31 -45.86 65.41 Favored 'General case' 0 N--CA 1.505 2.297 0 N-CA-C 106.883 -1.525 . . . . 0.0 106.883 176.315 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.97 44.14 1.03 Allowed 'General case' 0 N--CA 1.495 1.786 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 177.273 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.48 ' ND1' HG22 ' A' ' 3' ' ' ILE . 37.5 t60 -62.99 -58.97 5.53 Favored 'General case' 0 N--CA 1.509 2.482 0 O-C-N 121.375 -0.828 . . . . 0.0 109.085 179.751 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 17.4 t30 -161.08 96.48 1.1 Allowed 'General case' 0 N--CA 1.497 1.888 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 178.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 20.2 mt -111.45 70.17 0.71 Allowed 'General case' 0 N--CA 1.498 1.945 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 -178.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.43 ' CA ' HD22 ' A' ' 13' ' ' LEU . . . 58.85 50.02 71.87 Favored Glycine 0 N--CA 1.499 2.849 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.7 mttt -74.8 73.58 2.09 Favored 'General case' 0 N--CA 1.512 2.673 0 CA-C-N 118.827 1.313 . . . . 0.0 108.31 179.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.585 ' C ' HD23 ' A' ' 13' ' ' LEU . 5.5 t-160 78.05 -23.71 0.24 Allowed 'General case' 0 N--CA 1.512 2.644 0 C-N-CA 124.029 0.931 . . . . 0.0 111.844 -177.21 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.713 ' HG ' ' HB3' ' A' ' 18' ' ' ARG . 0.2 OUTLIER 43.3 -97.67 0.02 OUTLIER 'General case' 0 N--CA 1.509 2.501 0 CA-C-N 119.07 0.85 . . . . 0.0 111.238 178.776 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -142.03 30.64 1.61 Allowed 'General case' 0 N--CA 1.515 2.778 0 CA-C-N 120.664 1.575 . . . . 0.0 111.707 178.243 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.516 ' O ' ' HG3' ' A' ' 18' ' ' ARG . 1.6 m 66.63 -56.87 0.4 Allowed 'General case' 0 N--CA 1.521 3.077 0 N-CA-C 113.512 0.93 . . . . 0.0 113.512 177.749 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 7.6 mtp -79.58 -15.3 57.92 Favored 'General case' 0 N--CA 1.517 2.911 0 CA-C-N 120.372 1.442 . . . . 0.0 110.05 179.114 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.436 ' HB3' HD12 ' A' ' 13' ' ' LEU . 9.4 tp10 -92.12 -28.52 17.05 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 106.671 -1.603 . . . . 0.0 106.671 174.493 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.862 ' HA ' ' HB3' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -83.59 -28.67 28.37 Favored 'General case' 0 C--O 1.191 -1.996 0 CA-C-O 122.963 1.363 . . . . 0.0 113.277 -179.86 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.408 ' H ' HG12 ' A' ' 19' ' ' VAL . 0.2 OUTLIER -44.53 -43.05 2.27 Favored 'Isoleucine or valine' 0 C--N 1.254 -3.56 0 O-C-N 120.112 -1.617 . . . . 0.0 110.373 -178.018 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -76.98 -35.22 57.35 Favored 'General case' 0 N--CA 1.526 3.327 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 175.334 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.862 ' HB3' ' HA ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -50.07 -45.86 52.81 Favored 'General case' 0 N--CA 1.509 2.483 0 C-N-CA 125.072 1.349 . . . . 0.0 109.043 175.56 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.449 ' N ' ' CD1' ' A' ' 21' ' ' TRP . 6.0 mt -56.97 -41.33 78.15 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.402 -176.037 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.9 -39.15 64.08 Favored 'General case' 0 N--CA 1.493 1.711 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.061 178.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.534 ' O ' ' HG3' ' A' ' 27' ' ' GLN . 11.7 tptp -76.53 -51.67 11.24 Favored 'General case' 0 N--CA 1.51 2.555 0 O-C-N 121.686 -0.634 . . . . 0.0 111.112 -179.038 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.513 ' O ' HG23 ' A' ' 29' ' ' VAL . 1.6 pptp? -65.69 -27.7 68.53 Favored 'General case' 0 N--CA 1.506 2.341 0 O-C-N 121.05 -1.031 . . . . 0.0 110.623 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 47.5 tp -66.6 -53.46 34.16 Favored 'General case' 0 N--CA 1.507 2.413 0 O-C-N 121.415 -0.803 . . . . 0.0 109.077 178.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.534 ' HG3' ' O ' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -62.89 -31.69 72.8 Favored 'General case' 0 N--CA 1.509 2.522 0 O-C-N 121.865 -0.522 . . . . 0.0 109.754 178.735 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -68.71 -39.05 80.63 Favored 'General case' 0 N--CA 1.506 2.338 0 O-C-N 121.628 -0.67 . . . . 0.0 109.238 177.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 25' ' ' LYS . 42.4 t -60.01 -38.35 76.34 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.653 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 178.168 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -63.13 -39.94 96.15 Favored 'General case' 0 N--CA 1.513 2.687 0 N-CA-C 108.76 -0.829 . . . . 0.0 108.76 178.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 40.4 m-80 -98.09 36.32 1.59 Allowed 'General case' 0 N--CA 1.507 2.377 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 177.362 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.414 ' HB2' ' HA ' ' A' ' 29' ' ' VAL . 0.3 OUTLIER -100.84 -147.99 0.36 Allowed 'General case' 0 N--CA 1.482 1.158 0 O-C-N 121.432 -0.793 . . . . 0.0 110.029 178.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.5 t 55.01 38.19 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.519 3.0 0 N-CA-C 104.395 -2.446 . . . . 0.0 104.395 -173.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -134.93 -55.29 0.82 Allowed 'General case' 0 N--CA 1.483 1.188 0 CA-C-N 114.85 -1.068 . . . . 0.0 109.525 -174.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.3 tt . . . . . 0 N--CA 1.501 2.12 0 CA-C-O 118.726 -0.654 . . . . 0.0 109.581 179.205 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.486 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.582 ' HG3' ' HA ' ' A' ' 14' ' ' ASN . 28.7 mm-40 -91.97 65.32 4.83 Favored 'General case' 0 N--CA 1.506 2.346 0 CA-C-O 121.552 0.691 . . . . 0.0 109.313 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 11.3 mt -130.65 -74.25 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.503 2.207 0 O-C-N 121.516 -0.74 . . . . 0.0 109.176 -179.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 52.6 48.4 22.62 Favored 'General case' 0 N--CA 1.521 3.095 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 -178.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 56.42 55.27 6.71 Favored 'General case' 0 N--CA 1.504 2.261 0 N-CA-C 107.266 -1.383 . . . . 0.0 107.266 -175.464 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 15.5 ptt? 37.84 48.49 1.01 Allowed 'General case' 0 N--CA 1.512 2.669 0 CA-C-N 113.766 -1.561 . . . . 0.0 111.639 -177.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 13.1 t60 -97.14 98.93 10.45 Favored 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 56.77 -143.53 0.7 Allowed 'General case' 0 N--CA 1.512 2.635 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 -179.078 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 19.2 mt 67.08 176.68 0.24 Allowed 'General case' 0 N--CA 1.509 2.484 0 CA-C-N 119.903 1.229 . . . . 0.0 108.41 -178.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.453 ' HA3' ' HG ' ' A' ' 13' ' ' LEU . . . -76.14 89.17 0.89 Allowed Glycine 0 N--CA 1.48 1.595 0 N-CA-C 107.352 -2.299 . . . . 0.0 107.352 178.754 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.12 -42.83 1.51 Allowed 'General case' 0 N--CA 1.52 3.026 0 C-N-CA 122.72 0.408 . . . . 0.0 111.7 -178.247 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.607 ' C ' HD23 ' A' ' 13' ' ' LEU . 4.5 m-70 -123.31 37.91 4.31 Favored 'General case' 0 N--CA 1.506 2.336 0 O-C-N 121.855 -0.528 . . . . 0.0 110.064 179.325 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 1.049 HD12 ' HB2' ' A' ' 17' ' ' GLU . 0.4 OUTLIER -172.0 -119.12 0.01 OUTLIER 'General case' 0 N--CA 1.504 2.265 0 O-C-N 121.421 -0.799 . . . . 0.0 110.909 -178.724 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.59 ' HB2' ' HG2' ' A' ' 17' ' ' GLU . 0.1 OUTLIER -139.01 -172.98 3.45 Favored 'General case' 0 N--CA 1.505 2.301 0 O-C-N 120.941 -1.099 . . . . 0.0 109.524 -177.051 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.3 -58.29 3.37 Favored 'General case' 0 N--CA 1.517 2.893 0 O-C-N 121.004 -1.06 . . . . 0.0 111.992 -178.173 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.568 ' HA ' ' CG1' ' A' ' 19' ' ' VAL . 1.2 ttt -71.62 -4.11 25.32 Favored 'General case' 0 N--CA 1.511 2.594 0 CA-C-N 119.094 0.861 . . . . 0.0 111.343 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 1.049 ' HB2' HD12 ' A' ' 13' ' ' LEU . 9.0 mm-40 -95.84 -28.8 14.55 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 106.024 -1.843 . . . . 0.0 106.024 174.648 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.52 ' HG2' ' N ' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -64.07 -38.16 90.05 Favored 'General case' 0 N--CA 1.504 2.27 0 CA-C-O 121.985 0.898 . . . . 0.0 109.767 177.64 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.568 ' CG1' ' HA ' ' A' ' 16' ' ' MET . 0.5 OUTLIER -63.64 -47.26 92.06 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.719 0 CA-C-N 114.568 -1.196 . . . . 0.0 108.993 -177.549 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -74.73 -31.45 61.83 Favored 'General case' 0 N--CA 1.513 2.692 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 175.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.446 ' HB3' ' HA ' ' A' ' 18' ' ' ARG . 23.3 t90 -63.07 -38.47 91.33 Favored 'General case' 0 N--CA 1.497 1.88 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 177.259 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 19' ' ' VAL . 0.2 OUTLIER -62.71 -35.82 80.96 Favored 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 -178.184 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.9 -37.53 81.84 Favored 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 177.296 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.29 -11.89 53.68 Favored 'General case' 0 N--CA 1.503 2.224 0 O-C-N 121.785 -0.572 . . . . 0.0 111.096 178.147 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.38 -35.24 67.49 Favored 'General case' 0 N--CA 1.513 2.684 0 CA-C-N 119.315 0.961 . . . . 0.0 110.658 -179.664 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.5 tp -60.35 -38.1 82.76 Favored 'General case' 0 N--CA 1.507 2.418 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 177.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 49.2 mm-40 -80.75 -29.83 36.22 Favored 'General case' 0 N--CA 1.504 2.225 0 O-C-N 121.819 -0.551 . . . . 0.0 109.983 178.206 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -58.34 -51.18 70.86 Favored 'General case' 0 N--CA 1.512 2.653 0 N-CA-C 106.941 -1.503 . . . . 0.0 106.941 177.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.411 ' O ' ' HB2' ' A' ' 30' ' ' HIS . 9.4 t -83.72 170.95 1.28 Allowed 'Isoleucine or valine' 0 N--CA 1.505 2.321 0 N-CA-C 106.301 -1.74 . . . . 0.0 106.301 175.55 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.411 ' HB2' ' O ' ' A' ' 29' ' ' VAL . 65.3 m80 76.22 -56.94 0.57 Allowed 'General case' 0 N--CA 1.526 3.341 0 O-C-N 121.053 -1.029 . . . . 0.0 110.285 -179.666 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 33.6 m-80 -87.85 -72.86 0.51 Allowed 'General case' 0 N--CA 1.499 1.986 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 179.38 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.476 ' O ' HG22 ' A' ' 33' ' ' VAL . 45.9 p90 38.77 33.89 0.08 Allowed 'General case' 0 N--CA 1.533 3.676 0 CA-C-N 118.75 0.704 . . . . 0.0 112.871 179.381 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.476 HG22 ' O ' ' A' ' 32' ' ' PHE . 10.6 m 49.71 25.11 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.521 3.083 0 C-N-CA 123.239 0.615 . . . . 0.0 109.821 -176.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.449 ' HA ' ' CE2' ' A' ' 32' ' ' PHE . . . 44.98 41.12 5.04 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 123.939 0.896 . . . . 0.0 111.232 -179.546 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.1 tp . . . . . 0 N--CA 1.495 1.804 0 CA-C-O 117.61 -1.186 . . . . 0.0 109.966 179.886 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.558 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -139.62 -48.78 0.47 Allowed 'General case' 0 N--CA 1.509 2.519 0 O-C-N 122.143 -0.348 . . . . 0.0 111.06 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.0 mt 57.98 27.66 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.517 2.905 0 O-C-N 121.723 -0.611 . . . . 0.0 110.381 -179.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -83.42 -57.43 3.25 Favored 'General case' 0 N--CA 1.498 1.964 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 178.655 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.6 pp -68.92 -29.8 68.13 Favored 'General case' 0 N--CA 1.508 2.46 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 177.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -73.4 -47.38 42.43 Favored 'General case' 0 N--CA 1.503 2.219 0 O-C-N 121.741 -0.599 . . . . 0.0 110.125 179.601 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 56.9 t-80 -78.31 -59.33 2.82 Favored 'General case' 0 N--CA 1.504 2.266 0 O-C-N 121.679 -0.638 . . . . 0.0 109.642 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -74.19 83.72 1.85 Allowed 'General case' 0 N--CA 1.503 2.19 0 CA-C-O 121.621 0.724 . . . . 0.0 110.64 -179.411 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -119.38 96.3 5.15 Favored 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 107.603 -1.258 . . . . 0.0 107.603 178.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.659 ' HA3' ' HB2' ' A' ' 21' ' ' TRP . . . 98.25 -78.52 0.59 Allowed Glycine 0 N--CA 1.492 2.417 0 N-CA-C 108.497 -1.841 . . . . 0.0 108.497 -178.089 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.4 mmpt? 70.42 -50.54 0.66 Allowed 'General case' 0 N--CA 1.524 3.264 0 C-N-CA 123.537 0.735 . . . . 0.0 112.27 179.325 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -175.4 112.81 0.13 Allowed 'General case' 0 N--CA 1.512 2.663 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 -179.607 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.784 HD11 ' CA ' ' A' ' 18' ' ' ARG . 2.3 pt? -160.22 -140.41 0.07 Allowed 'General case' 0 N--CA 1.502 2.132 0 O-C-N 121.254 -0.903 . . . . 0.0 111.659 -178.417 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -118.47 -96.27 0.47 Allowed 'General case' 0 N--CA 1.51 2.551 0 O-C-N 121.013 -1.054 . . . . 0.0 110.596 -177.58 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.617 ' HA ' ' CG ' ' A' ' 18' ' ' ARG . 6.1 m -154.34 144.03 21.62 Favored 'General case' 0 N--CA 1.511 2.607 0 CA-C-N 119.891 1.223 . . . . 0.0 109.905 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 13.4 ttp 79.66 -42.75 0.27 Allowed 'General case' 0 N--CA 1.521 3.118 0 C-N-CA 123.57 0.748 . . . . 0.0 109.299 -178.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.659 ' HB2' HD12 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -70.79 -20.34 62.61 Favored 'General case' 0 N--CA 1.499 2.002 0 N-CA-C 104.632 -2.359 . . . . 0.0 104.632 171.343 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.884 ' HB2' ' CD1' ' A' ' 21' ' ' TRP . 0.8 OUTLIER -97.6 -92.58 0.24 Allowed 'General case' 0 C--O 1.202 -1.426 0 CA-C-O 117.591 -1.195 . . . . 0.0 110.015 179.119 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.4 ' H ' ' CG ' ' A' ' 18' ' ' ARG . 0.2 OUTLIER 43.81 -66.67 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.511 2.598 0 C-N-CA 126.576 1.95 . . . . 0.0 112.777 179.287 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 18' ' ' ARG . 3.8 mm-40 -60.97 -29.31 69.58 Favored 'General case' 0 N--CA 1.512 2.655 0 N-CA-C 106.614 -1.624 . . . . 0.0 106.614 173.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.884 ' CD1' ' HB2' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -54.29 -44.19 71.71 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 124.633 1.173 . . . . 0.0 109.496 176.107 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.505 ' HG ' ' CD1' ' A' ' 21' ' ' TRP . 6.2 mt -62.88 -42.05 99.62 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.435 -177.693 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.9 ttp180 -66.24 -41.42 90.03 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 177.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.35 -21.6 55.91 Favored 'General case' 0 N--CA 1.506 2.338 0 O-C-N 121.819 -0.551 . . . . 0.0 111.39 179.014 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -56.88 -37.85 71.94 Favored 'General case' 0 N--CA 1.514 2.749 0 CA-C-N 118.9 0.773 . . . . 0.0 110.206 179.622 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 25.8 mt -62.62 -38.8 91.63 Favored 'General case' 0 N--CA 1.513 2.678 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 177.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -81.67 -4.72 56.93 Favored 'General case' 0 N--CA 1.505 2.303 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.291 179.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -110.26 -7.14 14.88 Favored 'General case' 0 N--CA 1.508 2.43 0 O-C-N 121.356 -0.84 . . . . 0.0 111.189 179.242 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 71.3 t -123.45 -66.62 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.256 0 O-C-N 121.118 -0.989 . . . . 0.0 110.431 -178.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER 44.06 -92.19 0.02 OUTLIER 'General case' 0 N--CA 1.534 3.727 0 C-N-CA 123.682 0.793 . . . . 0.0 111.631 179.019 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -96.75 50.94 1.13 Allowed 'General case' 0 N--CA 1.506 2.346 0 O-C-N 121.294 -0.879 . . . . 0.0 109.321 178.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -95.71 -153.04 0.39 Allowed 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 119.216 -0.993 . . . . 0.0 110.031 178.451 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 10.9 t 56.57 39.25 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.516 2.872 0 N-CA-C 104.102 -2.555 . . . . 0.0 104.102 -172.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -135.66 -55.97 0.78 Allowed 'General case' 0 N--CA 1.484 1.248 0 CA-C-N 114.788 -1.097 . . . . 0.0 109.526 -174.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.7 tt . . . . . 0 N--CA 1.502 2.129 0 CA-C-O 117.681 -1.152 . . . . 0.0 109.511 179.273 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.554 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -97.68 -57.94 2.12 Favored 'General case' 0 N--CA 1.505 2.28 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.1 pt -65.36 149.45 11.4 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.587 0 O-C-N 121.518 -0.739 . . . . 0.0 109.545 179.228 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.43 ' HG2' ' HD3' ' A' ' 24' ' ' LYS . 20.7 mt-30 72.8 -60.06 0.55 Allowed 'General case' 0 N--CA 1.521 3.12 0 C-N-CA 123.007 0.523 . . . . 0.0 110.378 -179.314 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.3 tp -58.76 -50.37 74.17 Favored 'General case' 0 N--CA 1.51 2.534 0 O-C-N 121.67 -0.644 . . . . 0.0 110.357 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 13.5 mmt -60.1 -36.89 78.44 Favored 'General case' 0 N--CA 1.513 2.675 0 O-C-N 122.047 -0.408 . . . . 0.0 110.202 179.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 63.2 m80 -64.21 -53.11 54.32 Favored 'General case' 0 N--CA 1.51 2.525 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 178.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.443 ' HA ' ' HZ3' ' A' ' 21' ' ' TRP . 33.8 m-80 -61.24 -30.87 70.72 Favored 'General case' 0 N--CA 1.511 2.582 0 O-C-N 122.244 -0.285 . . . . 0.0 110.488 178.453 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.16 -39.75 87.5 Favored 'General case' 0 N--CA 1.509 2.521 0 O-C-N 121.833 -0.542 . . . . 0.0 109.791 178.289 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -62.86 -28.5 71.95 Favored Glycine 0 N--CA 1.506 3.329 0 N-CA-C 111.323 -0.711 . . . . 0.0 111.323 179.159 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.9 mttt 59.55 55.63 4.01 Favored 'General case' 0 N--CA 1.514 2.739 0 CA-C-N 118.544 1.172 . . . . 0.0 109.691 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.568 ' C ' HD23 ' A' ' 13' ' ' LEU . 0.1 OUTLIER 85.24 -17.39 0.43 Allowed 'General case' 0 N--CA 1.516 2.849 0 C-N-CA 124.143 0.977 . . . . 0.0 111.331 -178.376 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.748 HD11 ' CA ' ' A' ' 18' ' ' ARG . 0.7 OUTLIER 39.31 -108.57 0.08 Allowed 'General case' 0 N--CA 1.501 2.099 0 C-N-CA 123.637 0.775 . . . . 0.0 112.456 177.557 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -128.12 -83.03 0.59 Allowed 'General case' 0 N--CA 1.503 2.194 0 CA-C-N 120.697 1.589 . . . . 0.0 109.681 -178.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.545 ' HA ' ' CG ' ' A' ' 18' ' ' ARG . 0.5 OUTLIER -167.7 -51.06 0.02 OUTLIER 'General case' 0 N--CA 1.516 2.867 0 CA-C-N 120.426 1.466 . . . . 0.0 112.709 179.058 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.82 -19.85 26.9 Favored 'General case' 0 N--CA 1.516 2.864 0 CA-C-N 119.727 1.149 . . . . 0.0 109.244 178.394 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.601 ' CG ' HD12 ' A' ' 13' ' ' LEU . 1.5 pm0 -82.56 -20.37 36.7 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 106.096 -1.816 . . . . 0.0 106.096 173.331 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.748 ' CA ' HD11 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -92.41 -84.48 0.28 Allowed 'General case' 0 C--O 1.197 -1.662 0 CA-C-O 117.124 -1.417 . . . . 0.0 108.923 177.444 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.424 ' H ' ' CG ' ' A' ' 18' ' ' ARG . 0.2 OUTLIER 35.13 -71.55 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.504 2.27 0 C-N-CA 126.438 1.895 . . . . 0.0 113.2 178.717 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 18' ' ' ARG . 0.9 OUTLIER -56.95 -33.41 66.99 Favored 'General case' 0 N--CA 1.515 2.813 0 N-CA-C 107.182 -1.414 . . . . 0.0 107.182 174.597 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.739 ' CD1' ' HB2' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -50.5 -49.03 56.63 Favored 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 124.976 1.31 . . . . 0.0 109.383 175.519 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.41 ' N ' ' CD1' ' A' ' 21' ' ' TRP . 0.2 OUTLIER -61.24 -38.51 86.91 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 114.742 -1.117 . . . . 0.0 110.95 -175.58 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.402 ' N ' ' HG ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -73.41 -44.27 58.74 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 178.191 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.465 ' HE2' ' HB2' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -65.54 -30.89 71.69 Favored 'General case' 0 N--CA 1.503 2.208 0 O-C-N 122.04 -0.412 . . . . 0.0 110.905 179.623 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.6 mmmt -53.4 -41.87 66.38 Favored 'General case' 0 N--CA 1.512 2.658 0 CA-C-N 118.463 0.574 . . . . 0.0 110.498 179.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.4 tp -64.39 -41.71 96.53 Favored 'General case' 0 N--CA 1.507 2.415 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 178.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.465 ' HB2' ' HE2' ' A' ' 24' ' ' LYS . 33.7 mt-30 -80.4 -7.82 59.27 Favored 'General case' 0 N--CA 1.51 2.564 0 O-C-N 121.946 -0.471 . . . . 0.0 111.581 179.172 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -106.37 -12.74 15.57 Favored 'General case' 0 N--CA 1.505 2.304 0 O-C-N 121.28 -0.887 . . . . 0.0 111.289 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.503 ' HA ' ' HB2' ' A' ' 32' ' ' PHE . 92.6 t -120.78 -67.63 1.07 Allowed 'Isoleucine or valine' 0 N--CA 1.505 2.29 0 O-C-N 121.275 -0.891 . . . . 0.0 109.929 -179.565 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 9.0 p-80 35.7 69.57 0.18 Allowed 'General case' 0 N--CA 1.534 3.738 0 CA-C-N 118.65 0.659 . . . . 0.0 111.453 178.219 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 76.86 27.95 0.7 Allowed 'General case' 0 N--CA 1.522 3.143 0 CA-C-O 121.395 0.617 . . . . 0.0 110.2 -178.662 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.503 ' HB2' ' HA ' ' A' ' 29' ' ' VAL . 0.3 OUTLIER -76.56 -0.09 21.96 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.347 -1.471 . . . . 0.0 113.057 178.227 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.8 m -57.16 -27.98 28.75 Favored 'Isoleucine or valine' 0 N--CA 1.516 2.86 0 N-CA-C 106.694 -1.595 . . . . 0.0 106.694 172.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -37.34 -52.54 1.1 Allowed 'General case' 0 N--CA 1.494 1.759 0 C-N-CA 125.392 1.477 . . . . 0.0 111.959 175.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.2 tt . . . . . 0 N--CA 1.501 2.079 0 CA-C-O 117.614 -1.184 . . . . 0.0 109.843 -179.779 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . 0.41 ' H1 ' ' HA ' ' A' ' 13' ' ' LEU . . . . . . . . 0 C--O 1.222 -0.375 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -160.67 136.52 8.26 Favored 'General case' 0 N--CA 1.504 2.261 0 O-C-N 122.112 -0.368 . . . . 0.0 110.033 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 6.7 pt -145.16 44.36 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.514 2.742 0 O-C-N 121.52 -0.738 . . . . 0.0 110.368 -179.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -75.24 84.5 2.41 Favored 'General case' 0 N--CA 1.516 2.864 0 N-CA-C 105.681 -1.97 . . . . 0.0 105.681 177.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 61.12 64.17 1.15 Allowed 'General case' 0 N--CA 1.5 2.036 0 N-CA-C 105.46 -2.052 . . . . 0.0 105.46 -173.561 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.484 ' HB2' HD22 ' A' ' 9' ' ' LEU . 0.0 OUTLIER 39.05 51.73 1.95 Allowed 'General case' 0 N--CA 1.515 2.792 0 CA-C-N 112.518 -2.128 . . . . 0.0 111.558 -175.578 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 51.7 t-80 -98.82 116.77 31.81 Favored 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 179.006 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 58.72 45.76 15.31 Favored 'General case' 0 N--CA 1.516 2.854 0 CA-C-O 121.586 0.708 . . . . 0.0 110.043 -179.282 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.59 ' O ' HD22 ' A' ' 13' ' ' LEU . 1.9 pt? -91.33 -12.24 35.59 Favored 'General case' 0 N--CA 1.509 2.496 0 O-C-N 121.617 -0.677 . . . . 0.0 112.347 -179.425 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.489 ' HA2' HD22 ' A' ' 13' ' ' LEU . . . -113.39 47.99 0.99 Allowed Glycine 0 N--CA 1.505 3.233 0 N-CA-C 110.125 -1.19 . . . . 0.0 110.125 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -131.7 57.02 1.79 Allowed 'General case' 0 N--CA 1.507 2.384 0 N-CA-C 107.275 -1.379 . . . . 0.0 107.275 178.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.606 ' C ' HD23 ' A' ' 13' ' ' LEU . 2.5 t-160 87.21 -33.6 0.03 OUTLIER 'General case' 0 N--CA 1.514 2.745 0 C-N-CA 124.365 1.066 . . . . 0.0 110.068 -177.129 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.737 HD12 ' HG3' ' A' ' 17' ' ' GLU . 0.2 OUTLIER 43.52 -102.37 0.05 OUTLIER 'General case' 0 N--CA 1.5 2.031 0 C-N-CA 123.428 0.691 . . . . 0.0 112.549 177.144 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -154.85 -96.49 0.04 OUTLIER 'General case' 0 N--CA 1.507 2.422 0 CA-C-N 120.228 1.376 . . . . 0.0 110.698 -178.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.74 ' HA ' ' HG2' ' A' ' 18' ' ' ARG . 5.1 m -145.23 143.87 30.51 Favored 'General case' 0 N--CA 1.504 2.262 0 CA-C-N 119.627 1.103 . . . . 0.0 110.335 -179.386 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.563 ' HA ' ' CG1' ' A' ' 19' ' ' VAL . 1.2 mtp 76.98 -34.62 0.22 Allowed 'General case' 0 N--CA 1.524 3.239 0 C-N-CA 123.878 0.871 . . . . 0.0 111.078 -179.174 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.737 ' HG3' HD12 ' A' ' 13' ' ' LEU . 1.8 pt-20 -88.05 -27.24 22.12 Favored 'General case' 0 N--CA 1.498 1.944 0 N-CA-C 105.042 -2.207 . . . . 0.0 105.042 173.067 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.74 ' HG2' ' HA ' ' A' ' 15' ' ' SER . 0.6 OUTLIER -69.42 -29.82 67.63 Favored 'General case' 0 N--CA 1.5 2.073 0 C-N-CA 124.26 1.024 . . . . 0.0 112.027 177.389 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.741 ' HA ' HD23 ' A' ' 22' ' ' LEU . 1.2 p -74.75 -47.1 39.51 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.846 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 -176.457 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -68.99 -33.52 73.82 Favored 'General case' 0 N--CA 1.509 2.497 0 N-CA-C 106.975 -1.491 . . . . 0.0 106.975 175.079 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.608 ' CE2' ' HD3' ' A' ' 25' ' ' LYS . 23.5 t90 -60.8 -45.88 92.67 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 176.712 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.741 HD23 ' HA ' ' A' ' 19' ' ' VAL . 0.2 OUTLIER -61.48 -37.67 84.49 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 120.479 -0.488 . . . . 0.0 110.022 -178.187 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.411 ' N ' ' HG ' ' A' ' 22' ' ' LEU . 8.3 ttp180 -65.39 -40.43 93.45 Favored 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 107.309 -1.367 . . . . 0.0 107.309 176.185 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.16 -28.61 69.78 Favored 'General case' 0 N--CA 1.503 2.194 0 O-C-N 122.177 -0.327 . . . . 0.0 110.397 177.416 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.608 ' HD3' ' CE2' ' A' ' 21' ' ' TRP . 0.2 OUTLIER -55.35 -39.55 70.17 Favored 'General case' 0 N--CA 1.517 2.918 0 CA-C-N 118.766 0.712 . . . . 0.0 109.75 179.051 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.0 tt -60.39 -47.96 83.81 Favored 'General case' 0 N--CA 1.507 2.383 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 177.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -62.62 -30.34 71.28 Favored 'General case' 0 N--CA 1.505 2.316 0 O-C-N 122.188 -0.32 . . . . 0.0 110.188 178.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -66.96 -48.28 69.02 Favored 'General case' 0 N--CA 1.507 2.382 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 178.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.9 t -59.36 -39.47 79.09 Favored 'Isoleucine or valine' 0 N--CA 1.516 2.851 0 O-C-N 121.895 -0.503 . . . . 0.0 109.79 179.045 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 54.4 m80 -72.81 -41.82 64.52 Favored 'General case' 0 N--CA 1.503 2.202 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 179.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 35.4 m120 -136.33 91.32 2.66 Favored 'General case' 0 N--CA 1.501 2.084 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 179.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 22.7 p90 -105.91 -148.83 0.41 Allowed 'General case' 0 N--CA 1.515 2.788 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 58.6 t -66.58 90.43 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.511 2.588 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 179.349 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 177.24 -47.68 0.01 OUTLIER 'General case' 0 N--CA 1.508 2.433 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 -178.044 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.2 tp . . . . . 0 N--CA 1.499 1.986 0 CA-C-O 117.713 -1.136 . . . . 0.0 109.617 178.897 . . . . . . . . 0 0 . 1 stop_ save_